A0A3Q0KGC3_SCHMA Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB (A0A5K4EER4), UniProt , Accession A0A3Q0KGC3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 514 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
1M80.3Confident84.2Confident173 Ų173100 Ų10085%0.85248%0.478SS*.  01410-64.7-167.2-62.300106.2
2P87.4Confident84.4Confident53 Ų5396.8 Ų96.834%0.34447%0.465SS..  trans-62143.4174.727.7-33.9000109.9T185 E187P2-T185 HydrophobicContact CB-CG2 4.15Å; P2-E187 HydrophobicContact CB-CB 4.21Å
3F83.4Confident84.6Confident74 Ų7489.8 Ų89.833%0.32543%0.432SS..  trans-86.5115.2167.7-165.6-77.9000108.5L5 V26 K29 I30 T185F3-L5 HydrophobicContact CD1-CD2 3.9Å; F3-L5 HydrophobicContact CE1-CD2 3.82Å; F3-V26 HydrophobicContact CB-CG1 3.67Å; F3-V26 HydrophobicContact CD1-CG1 4.23Å; F3-V26 HydrophobicContact CD1-CG2 4.14Å; F3-V26 HydrophobicContact CG-CG1 3.99Å; F3-K29 HydrophobicContact CE1-CB 4.41Å; F3-K29 HydrophobicContact CE2-CB 3.86Å; F3-K29 HydrophobicContact CZ-CB 3.71Å; F3-K29 HydrophobicContact CZ-CG 4.16Å; F3-I30 HydrophobicContact CB-CD1 4.38Å; F3-I30 HydrophobicContact CD2-CG1 4.11Å; F3-T185 WeakPolarHBondContact CB-O 3.26Å; F3-T185 PolarHBondContact N-O 3.32Å
4E84.4Confident84.8Confident170 Ų17090.4 Ų90.479%0.79444%0.439SS*.PPolyproline II helixtrans-91.1124.1178.9-66.1-171.8177.800110.7
5L83.2Confident85Confident29 Ų2994.9 Ų94.915%0.15246%0.456CS..PPolyproline II helixtrans-86.6139.6178-66.5178.8000111.4F3 D9 K10 Y25 V26F3-L5 HydrophobicContact CD1-CD2 3.9Å; F3-L5 HydrophobicContact CE1-CD2 3.82Å; L5-D9 HydrophobicContact CB-CB 4Å; L5-D9 HydrophobicContact CD2-CB 3.8Å; L5-D9 HydrophobicContact CG-CB 4.39Å; L5-K10 HydrophobicContact CB-CG 3.68Å; L5-K10 HydrophobicContact CD1-CG 4.22Å; L5-K10 WeakPolarHBondContact O-CE 3.5Å; L5-Y25 HydrophobicContact CD2-CD1 3.77Å; L5-Y25 HydrophobicContact CD2-CE1 3.84Å; L5-V26 HydrophobicContact CD1-CG2 3.76Å; L5-V26 HydrophobicContact CD2-CG2 3.56Å; L5-V26 HydrophobicContact CG-CG2 3.75Å
6S83.4Confident85.2Confident59 Ų5990.9 Ų90.941%0.41344%0.439SS..PPolyproline II helixtrans-63.2164.1164.977.30000110.8H8 D9 K10S6-H8 VanDerWaalsContact C-N 3.28Å; S6-H8 PolarHBondContact O-N 2.89Å; S6-D9 WeakPolarHBondContact CB-OD2 3.15Å; S6-D9 PolarHBondContact O-N 3.38Å; S6-D9 PolarHBondContact OG-N 3.13Å; S6-D9 PolarHBondContact OG-OD2 3.24Å; S6-K10 WeakPolarHBondContact O-CG 3.38Å; S6-K10 PolarHBondContact O-N 2.85Å
7Y81.8Confident85.5Confident186 Ų18686.9 Ų86.973%0.72942%0.42SS*.Hα-helixtrans-55.3-44.1178.1-178.7-94.6000112.3K10Y7-K10 WeakPolarHBondContact O-CB 3.41Å; Y7-K10 PolarHBondContact O-N 2.64Å
8H83Confident85.8Confident119 Ų11985.3 Ų85.355%0.55141%0.414SS*.Hα-helixtrans-66.5-39.8178.5-173.760.2000112.4S6 K10 E11 L12S6-H8 VanDerWaalsContact C-N 3.28Å; S6-H8 PolarHBondContact O-N 2.89Å; H8-K10 VanDerWaalsContact C-N 3.28Å; H8-K10 PolarHBondContact O-N 2.92Å; H8-E11 PolarHBondContact O-N 3.41Å; H8-L12 PolarHBondContact O-N 3.46Å
9D86.8Confident86.1Confident37 Ų3784.8 Ų84.820%0.19841%0.411CS..Hα-helixtrans-67.3-29.7178-65-49.9000112.8L5 S6 E11 L12 S13 Y25L5-D9 HydrophobicContact CB-CB 4Å; L5-D9 HydrophobicContact CD2-CB 3.8Å; L5-D9 HydrophobicContact CG-CB 4.39Å; S6-D9 WeakPolarHBondContact CB-OD2 3.15Å; S6-D9 PolarHBondContact O-N 3.38Å; S6-D9 PolarHBondContact OG-N 3.13Å; S6-D9 PolarHBondContact OG-OD2 3.24Å; D9-E11 VanDerWaalsContact C-N 3.34Å; D9-L12 PolarHBondContact O-N 2.99Å; D9-S13 WeakPolarHBondContact O-CB 3.46Å; D9-S13 PolarHBondContact O-N 3.41Å; D9-Y25 HydrophobicContact CB-CD1 4.44Å; D9-Y25 HydrophobicContact CB-CE1 3.65Å; D9-Y25 VanDerWaalsContact OD1-CZ 3.31Å; D9-Y25 PolarHBondContact OD1-OH 2.81Å
10K86Confident86.6Confident114 Ų11480.6 Ų80.650%0.49639%0.39SS..Hα-helixtrans-62.6-41.1174.4-72.7177.8-177.1-179.50111.6L5 S6 Y7 H8 L12 S13 N14L5-K10 HydrophobicContact CB-CG 3.68Å; L5-K10 HydrophobicContact CD1-CG 4.22Å; L5-K10 WeakPolarHBondContact O-CE 3.5Å; S6-K10 WeakPolarHBondContact O-CG 3.38Å; S6-K10 PolarHBondContact O-N 2.85Å; Y7-K10 WeakPolarHBondContact O-CB 3.41Å; Y7-K10 PolarHBondContact O-N 2.64Å; H8-K10 VanDerWaalsContact C-N 3.28Å; H8-K10 PolarHBondContact O-N 2.92Å; K10-L12 VanDerWaalsContact C-N 3.33Å; K10-L12 PolarHBondContact O-N 3.32Å; K10-S13 PolarHBondContact O-N 3.47Å; K10-N14 WeakPolarHBondContact O-CB 3.33Å; K10-N14 PolarHBondContact O-N 3.06Å; K10-N14 PolarHBondContact O-ND2 2.84Å
11E86.5Confident87Confident86 Ų8676.8 Ų76.840%0.40237%0.372SS..Hα-helixtrans-62.8-40.4175.5-66.6-174.6163.900112H8 D9 N14 K15H8-E11 PolarHBondContact O-N 3.41Å; D9-E11 VanDerWaalsContact C-N 3.34Å; E11-N14 PolarHBondContact O-N 3.44Å; E11-K15 WeakPolarHBondContact O-CG 3.39Å; E11-K15 PolarHBondContact O-N 3.08Å
12L86.1Confident87.7Confident61 Ų6168.5 Ų68.532%0.31933%0.331SS..Hα-helixtrans-65.4-45.6175.8-70.5172.5000111.7H8 D9 K10 N14 K15 Y25H8-L12 PolarHBondContact O-N 3.46Å; D9-L12 PolarHBondContact O-N 2.99Å; K10-L12 VanDerWaalsContact C-N 3.33Å; K10-L12 PolarHBondContact O-N 3.32Å; L12-N14 VanDerWaalsContact C-N 3.35Å; L12-N14 PolarHBondContact O-N 2.83Å; L12-K15 PolarHBondContact O-N 3.06Å; L12-Y25 HydrophobicContact CB-CD2 4.16Å; L12-Y25 HydrophobicContact CB-CE2 4.13Å; L12-Y25 HydrophobicContact CD1-CE2 4.04Å
13S87.5Confident88.1Confident6 Ų666 Ų664%0.04232%0.315CS..Hα-helixtrans-58.3-46.4175.3-179.70000111.4D9 K10 K15 T16 I17 S23D9-S13 WeakPolarHBondContact O-CB 3.46Å; D9-S13 PolarHBondContact O-N 3.41Å; K10-S13 PolarHBondContact O-N 3.47Å; S13-K15 PolarHBondContact O-N 3.22Å; S13-K15 VanDerWaalsContact O-N 3.16Å; S13-T16 PolarHBondContact O-N 3.49Å; S13-T16 PolarHBondContact O-OG1 3.12Å; S13-I17 VanDerWaalsContact O-CG2 3.29Å; S13-I17 WeakPolarHBondContact O-CG2 3.43Å; S13-I17 PolarHBondContact O-N 3.38Å; S13-I17 VanDerWaalsContact O-N 3.07Å; S13-S23 WeakPolarHBondContact OG-CB 3.3Å; S13-S23 PolarHBondContact OG-OG 3.31Å
14N86.8Confident88.6Confident99 Ų9963 Ų6353%0.52930%0.303SS..Hα-helixtrans-62-22.9-178.8-74.8-12.3000113.9K10 E11 L12 T16 I17K10-N14 WeakPolarHBondContact O-CB 3.33Å; K10-N14 PolarHBondContact O-N 3.06Å; K10-N14 PolarHBondContact O-ND2 2.84Å; E11-N14 PolarHBondContact O-N 3.44Å; L12-N14 VanDerWaalsContact C-N 3.35Å; L12-N14 PolarHBondContact O-N 2.83Å; N14-T16 VanDerWaalsContact C-N 3.28Å; N14-T16 PolarHBondContact O-N 3.11Å; N14-I17 WeakPolarHBondContact O-CG1 3.5Å
15K88.4Confident89Confident158 Ų15857.4 Ų57.469%0.68728%0.275SS*.Hα-helixtrans-72.1-23175.3-70.8171.3-175.6176.90112.8E11 L12 S13E11-K15 WeakPolarHBondContact O-CG 3.39Å; E11-K15 PolarHBondContact O-N 3.08Å; L12-K15 PolarHBondContact O-N 3.06Å; S13-K15 PolarHBondContact O-N 3.22Å; S13-K15 VanDerWaalsContact O-N 3.16Å
16T88.8Confident89.6Confident31 Ų3156 Ų5619%0.1927%0.267CS..Hα-helixtrans-122.9-0.3-170.759.80000114.1S13 N14 N18 E19 V24S13-T16 PolarHBondContact O-N 3.49Å; S13-T16 PolarHBondContact O-OG1 3.12Å; N14-T16 VanDerWaalsContact C-N 3.28Å; N14-T16 PolarHBondContact O-N 3.11Å; T16-N18 PolarHBondContact O-N 2.93Å; T16-N18 VanDerWaalsContact O-N 3.12Å; T16-E19 WeakPolarHBondContact CG2-OE1 3.5Å; T16-E19 VanDerWaalsContact O-CB 3.32Å; T16-E19 WeakPolarHBondContact O-CB 3.48Å; T16-E19 WeakPolarHBondContact O-CG 3.33Å; T16-E19 PolarHBondContact O-N 3.43Å; T16-V24 VanDerWaalsContact CB-CG2 3.42Å; T16-V24 HydrophobicContact CG2-CG2 4.39Å; T16-V24 WeakPolarHBondContact OG1-CG2 3.39Å
17I89.3Confident90.1Very high22 Ų2253.2 Ų53.211%0.11325%0.248CC..Hα-helixtrans-53.1-34.8178.554.3180000114S13 N14 E19 G21 F22 Y285S13-I17 VanDerWaalsContact O-CG2 3.29Å; S13-I17 WeakPolarHBondContact O-CG2 3.43Å; S13-I17 PolarHBondContact O-N 3.38Å; S13-I17 VanDerWaalsContact O-N 3.07Å; N14-I17 WeakPolarHBondContact O-CG1 3.5Å; I17-E19 VanDerWaalsContact C-N 3.32Å; I17-E19 PolarHBondContact O-N 3.39Å; I17-G21 CarbonylContact O-C 3.58Å; I17-G21 WeakPolarHBondContact O-CA 3.46Å; I17-G21 PolarHBondContact O-N 3.42Å; I17-F22 PolarHBondContact O-N 3Å; I17-Y285 HydrophobicContact CB-CD2 3.75Å; I17-Y285 HydrophobicContact CB-CE2 4.02Å; I17-Y285 HydrophobicContact CB-CG 4.17Å; I17-Y285 HydrophobicContact CD1-CD1 3.96Å; I17-Y285 HydrophobicContact CD1-CD2 4.39Å; I17-Y285 HydrophobicContact CD1-CE1 4Å; I17-Y285 HydrophobicContact CD1-CE2 4.42Å; I17-Y285 HydrophobicContact CD1-CG 4.16Å; I17-Y285 HydrophobicContact CG1-CD2 4.44Å; I17-Y285 HydrophobicContact CG1-CG 4.39Å; I17-Y285 HydrophobicContact CG2-CD2 4.23Å; I17-Y285 HydrophobicContact CG2-CE2 3.98Å
18N90.6Very high90.8Very high59 Ų5946.5 Ų46.532%0.31624%0.235SC..Hα-helixtrans-82.7-7-178.5-67.6-19000113T16 N20 Y285 S286 T287 N288T16-N18 PolarHBondContact O-N 2.93Å; T16-N18 VanDerWaalsContact O-N 3.12Å; N18-N20 VanDerWaalsContact C-N 3.33Å; N18-N20 PolarHBondContact O-N 3.28Å; N18-Y285 WeakPolarHBondContact OD1-CB 2.9Å; N18-S286 WeakPolarHBondContact CA-O 3.37Å; N18-S286 WeakPolarHBondContact CB-O 3.4Å; N18-S286 PolarHBondContact OD1-O 3.09Å; N18-T287 CarbonylContact O-C 3.57Å; N18-T287 WeakPolarHBondContact O-CA 3.34Å; N18-N288 PolarHBondContact O-N 2.86Å
19E92.9Very high91.3Very high76 Ų7646.5 Ų46.536%0.35523%0.233SC..Hα-helixtrans-63-42.4178.6-69.9-176.2-174.700111.4T16 I17 R98 F289T16-E19 WeakPolarHBondContact CG2-OE1 3.5Å; T16-E19 VanDerWaalsContact O-CB 3.32Å; T16-E19 WeakPolarHBondContact O-CB 3.48Å; T16-E19 WeakPolarHBondContact O-CG 3.33Å; T16-E19 PolarHBondContact O-N 3.43Å; I17-E19 VanDerWaalsContact C-N 3.32Å; I17-E19 PolarHBondContact O-N 3.39Å; E19-R98 PolarHBondContact O-NH2 3.16Å; E19-F289 WeakPolarHBondContact O-CE1 3.25Å
20N95.5Very high91.7Very high0 Ų045.7 Ų45.70%023%0.229CC..Hα-helixtrans-131.90.3179.7-73.374.3000113.5N18 F22 V24 E64 E65 H66 R98 R283 T287N18-N20 VanDerWaalsContact C-N 3.33Å; N18-N20 PolarHBondContact O-N 3.28Å; N20-F22 HydrophobicContact CB-CD1 4.17Å; N20-F22 HydrophobicContact CB-CD2 4.38Å; N20-F22 HydrophobicContact CB-CE1 3.62Å; N20-F22 HydrophobicContact CB-CE2 3.83Å; N20-F22 HydrophobicContact CB-CZ 3.42Å; N20-F22 VanDerWaalsContact CB-CZ 3.42Å; N20-F22 WeakPolarHBondContact O-CD1 3.36Å; N20-F22 WeakPolarHBondContact O-CE1 3.41Å; N20-V24 HydrophobicContact CB-CG1 4.17Å; N20-E64 PolarHBondContact ND2-O 2.88Å; N20-E65 PolarHBondContact ND2-OE1 2.69Å; N20-H66 HydrophobicContact CB-CB 4.41Å; N20-H66 PolarHBondContact ND2-N 3.41Å; N20-R98 PolarHBondContact OD1-NH1 3.41Å; N20-R98 PolarHBondContact OD1-NH2 3.29Å; N20-R283 WeakPolarHBondContact O-CD 3.45Å; N20-R283 PolarHBondContact O-NE 2.95Å; N20-T287 WeakPolarHBondContact O-CG2 3.33Å
21G95.1Very high92.2Very high0 Ų047.8 Ų47.80%024%0.238CC..THydrogen-bonded Turntrans86.413.4178.800000114.5I17 R283 K284 Y285I17-G21 CarbonylContact O-C 3.58Å; I17-G21 WeakPolarHBondContact O-CA 3.46Å; I17-G21 PolarHBondContact O-N 3.42Å; G21-R283 WeakPolarHBondContact O-CA 3.41Å; G21-K284 PolarHBondContact O-N 3.1Å; G21-Y285 VanDerWaalsContact CA-O 3.25Å; G21-Y285 WeakPolarHBondContact CA-O 3.46Å; G21-Y285 PolarHBondContact O-N 3.01Å
22F95Very high92.7Very high0 Ų046.6 Ų46.60%023%0.233CC..SBendtrans-154169179.953.2-106000110.2I17 N20 V24 H66 T69 A183 F186 I281 R283I17-F22 PolarHBondContact O-N 3Å; N20-F22 HydrophobicContact CB-CD1 4.17Å; N20-F22 HydrophobicContact CB-CD2 4.38Å; N20-F22 HydrophobicContact CB-CE1 3.62Å; N20-F22 HydrophobicContact CB-CE2 3.83Å; N20-F22 HydrophobicContact CB-CZ 3.42Å; N20-F22 VanDerWaalsContact CB-CZ 3.42Å; N20-F22 WeakPolarHBondContact O-CD1 3.36Å; N20-F22 WeakPolarHBondContact O-CE1 3.41Å; F22-V24 HydrophobicContact CD2-CG1 4.23Å; F22-V24 HydrophobicContact CE2-CG1 3.95Å; F22-V24 PolarHBondContact O-N 3.39Å; F22-H66 HydrophobicContact CE2-CB 4.08Å; F22-H66 HydrophobicContact CZ-CB 4.04Å; F22-T69 HydrophobicContact CE2-CG2 3.72Å; F22-T69 HydrophobicContact CZ-CG2 3.8Å; F22-A183 CarbonylContact C-O 3.55Å; F22-A183 WeakPolarHBondContact CA-O 3.34Å; F22-A183 HydrophobicContact CB-CB 3.73Å; F22-A183 WeakPolarHBondContact CB-O 3.15Å; F22-F186 HydrophobicContact CD2-CE2 4.25Å; F22-F186 AromaticContact CD2-CZ 3.95Å; F22-F186 HydrophobicContact CD2-CZ 3.95Å; F22-F186 HydrophobicContact CE2-CZ 4.3Å; F22-I281 HydrophobicContact CB-CG2 3.89Å; F22-I281 HydrophobicContact CD1-CB 4.48Å; F22-I281 HydrophobicContact CD1-CG2 3.6Å; F22-I281 HydrophobicContact CE1-CD1 4.48Å; F22-I281 HydrophobicContact CE1-CG2 4.3Å; F22-I281 HydrophobicContact CG-CG2 3.86Å; F22-I281 HydrophobicContact CZ-CD1 4.49Å; F22-R283 HydrophobicContact CD1-CG 4.21Å
23S95.2Very high93.2Very high0 Ų048.3 Ų48.30%024%0.243CC..  trans-71.591.9179.2-175.40000112.2S13 Y25 V26 S27 A183 F186S13-S23 WeakPolarHBondContact OG-CB 3.3Å; S13-S23 PolarHBondContact OG-OG 3.31Å; S23-Y25 PolarHBondContact O-N 3.04Å; S23-V26 PolarHBondContact O-N 2.99Å; S23-V26 WeakPolarHBondContact OG-CB 3.27Å; S23-V26 WeakPolarHBondContact OG-CG2 3.3Å; S23-V26 PolarHBondContact OG-N 3.05Å; S23-V26 VanDerWaalsContact OG-N 3.11Å; S23-S27 PolarHBondContact O-N 3.02Å; S23-A183 PolarHBondContact N-O 3.38Å; S23-F186 VanDerWaalsContact O-CE2 3.24Å; S23-F186 WeakPolarHBondContact O-CE2 3.47Å
24V94.3Very high93.7Very high12 Ų1249.9 Ų49.97%0.07325%0.248CC..Hα-helixtrans-60.8-30.5170.3-62.80000111.5T16 N20 F22 S27 G28 H66T16-V24 VanDerWaalsContact CB-CG2 3.42Å; T16-V24 HydrophobicContact CG2-CG2 4.39Å; T16-V24 WeakPolarHBondContact OG1-CG2 3.39Å; N20-V24 HydrophobicContact CB-CG1 4.17Å; F22-V24 HydrophobicContact CD2-CG1 4.23Å; F22-V24 HydrophobicContact CE2-CG1 3.95Å; F22-V24 PolarHBondContact O-N 3.39Å; V24-S27 WeakPolarHBondContact O-CB 3.5Å; V24-S27 PolarHBondContact O-N 3.38Å; V24-G28 PolarHBondContact O-N 3.38Å; V24-H66 WeakPolarHBondContact CB-NE2 3.08Å; V24-H66 HydrophobicContact CG1-CB 4.18Å; V24-H66 WeakPolarHBondContact CG1-CD2 3.44Å
25Y93.4Very high94.2Very high52 Ų5250.6 Ų50.620%0.20426%0.261CS..Hα-helixtrans-60.7-51.6175.2-174.2-94.9000112L5 D9 L12 S23 S27 G28 K29L5-Y25 HydrophobicContact CD2-CD1 3.77Å; L5-Y25 HydrophobicContact CD2-CE1 3.84Å; D9-Y25 HydrophobicContact CB-CD1 4.44Å; D9-Y25 HydrophobicContact CB-CE1 3.65Å; D9-Y25 VanDerWaalsContact OD1-CZ 3.31Å; D9-Y25 PolarHBondContact OD1-OH 2.81Å; L12-Y25 HydrophobicContact CB-CD2 4.16Å; L12-Y25 HydrophobicContact CB-CE2 4.13Å; L12-Y25 HydrophobicContact CD1-CE2 4.04Å; S23-Y25 PolarHBondContact O-N 3.04Å; Y25-S27 VanDerWaalsContact C-N 3.32Å; Y25-S27 PolarHBondContact O-N 2.92Å; Y25-G28 PolarHBondContact O-N 2.77Å; Y25-K29 HydrophobicContact CE1-CG 4.43Å; Y25-K29 PolarHBondContact O-N 3.24Å; Y25-K29 WeakPolarHBondContact OH-CE 3.45Å
26V94.4Very high94.5Very high0 Ų044.3 Ų44.30%023%0.234CC..Hα-helixtrans-62.2-42.8175.8169.30000110.5F3 L5 S23 G28 K29 I30 D184 F186F3-V26 HydrophobicContact CB-CG1 3.67Å; F3-V26 HydrophobicContact CD1-CG1 4.23Å; F3-V26 HydrophobicContact CD1-CG2 4.14Å; F3-V26 HydrophobicContact CG-CG1 3.99Å; L5-V26 HydrophobicContact CD1-CG2 3.76Å; L5-V26 HydrophobicContact CD2-CG2 3.56Å; L5-V26 HydrophobicContact CG-CG2 3.75Å; S23-V26 PolarHBondContact O-N 2.99Å; S23-V26 WeakPolarHBondContact OG-CB 3.27Å; S23-V26 WeakPolarHBondContact OG-CG2 3.3Å; S23-V26 PolarHBondContact OG-N 3.05Å; S23-V26 VanDerWaalsContact OG-N 3.11Å; V26-G28 VanDerWaalsContact C-N 3.27Å; V26-G28 PolarHBondContact O-N 2.81Å; V26-K29 PolarHBondContact O-N 3.13Å; V26-I30 HydrophobicContact CG1-CD1 3.66Å; V26-I30 HydrophobicContact CG1-CG1 4.45Å; V26-I30 WeakPolarHBondContact O-CG1 3.45Å; V26-I30 PolarHBondContact O-N 3.39Å; V26-D184 WeakPolarHBondContact CG2-O 3.42Å; V26-F186 HydrophobicContact CB-CD2 4.12Å; V26-F186 HydrophobicContact CG1-CB 4.07Å; V26-F186 HydrophobicContact CG1-CD2 3.65Å; V26-F186 HydrophobicContact CG1-CE2 4.48Å; V26-F186 HydrophobicContact CG1-CG 4.11Å
27S95.8Very high94.7Very high0 Ų049.6 Ų49.60%026%0.255CS..Hα-helixtrans-55.9-41.9177.1-153.20000112.6S23 V24 Y25 K29 I30 T69 R72 F186S23-S27 PolarHBondContact O-N 3.02Å; V24-S27 WeakPolarHBondContact O-CB 3.5Å; V24-S27 PolarHBondContact O-N 3.38Å; Y25-S27 VanDerWaalsContact C-N 3.32Å; Y25-S27 PolarHBondContact O-N 2.92Å; S27-K29 VanDerWaalsContact C-N 3.26Å; S27-K29 PolarHBondContact O-N 3.29Å; S27-I30 PolarHBondContact O-N 3.22Å; S27-T69 WeakPolarHBondContact OG-CG2 3.45Å; S27-R72 PolarHBondContact O-NH2 3.39Å; S27-R72 PolarHBondContact OG-NH1 2.04Å; S27-F186 VanDerWaalsContact OG-CE1 3.27Å; S27-F186 WeakPolarHBondContact OG-CE1 3.2Å; S27-F186 VanDerWaalsContact OG-CZ 3.25Å; S27-F186 WeakPolarHBondContact OG-CZ 3.36Å
28G94.6Very high95Very high44 Ų4451 Ų5145%0.45426%0.262SS..Hα-helixtrans-67.5-19177.700000114.8V24 Y25 V26V24-G28 PolarHBondContact O-N 3.38Å; Y25-G28 PolarHBondContact O-N 2.77Å; V26-G28 VanDerWaalsContact C-N 3.27Å; V26-G28 PolarHBondContact O-N 2.81Å
29K93.9Very high95.3Very high119 Ų11950.5 Ų50.552%0.51726%0.259SS..Hα-helixtrans-90.4-12.9175.7-60.4-61.8-176.4177.50113.3F3 Y25 V26 S27F3-K29 HydrophobicContact CE1-CB 4.41Å; F3-K29 HydrophobicContact CE2-CB 3.86Å; F3-K29 HydrophobicContact CZ-CB 3.71Å; F3-K29 HydrophobicContact CZ-CG 4.16Å; Y25-K29 HydrophobicContact CE1-CG 4.43Å; Y25-K29 PolarHBondContact O-N 3.24Å; Y25-K29 WeakPolarHBondContact OH-CE 3.45Å; V26-K29 PolarHBondContact O-N 3.13Å; S27-K29 VanDerWaalsContact C-N 3.26Å; S27-K29 PolarHBondContact O-N 3.29Å
30I95.7Very high95.4Very high21 Ų2148.1 Ų48.111%0.10825%0.247CC..SBendtrans-98.7126.7-176.7-67171000109.5F3 V26 S27 I32 R34 R72 F186F3-I30 HydrophobicContact CB-CD1 4.38Å; F3-I30 HydrophobicContact CD2-CG1 4.11Å; V26-I30 HydrophobicContact CG1-CD1 3.66Å; V26-I30 HydrophobicContact CG1-CG1 4.45Å; V26-I30 WeakPolarHBondContact O-CG1 3.45Å; V26-I30 PolarHBondContact O-N 3.39Å; S27-I30 PolarHBondContact O-N 3.22Å; I30-I32 PolarHBondContact O-N 3.02Å; I30-R34 HydrophobicContact CG2-CB 4.14Å; I30-R34 VanDerWaalsContact CG2-CD 3.49Å; I30-R34 HydrophobicContact CG2-CG 3.97Å; I30-R72 PolarHBondContact O-NH2 3.36Å; I30-F186 HydrophobicContact CD1-CB 3.37Å; I30-F186 HydrophobicContact CD1-CD1 4.25Å; I30-F186 HydrophobicContact CD1-CG 3.85Å
31K96.8Very high95.4Very high157 Ų15750.7 Ų50.768%0.68326%0.259SS*.  trans-52.5141.5176.4-71.9-166.6173.3-174.20112.4D33 R34 R72K31-D33 WeakPolarHBondContact CB-OD1 3.48Å; K31-D33 PolarHBondContact O-N 3.15Å; K31-R34 PolarHBondContact O-N 2.64Å; K31-R72 PolarHBondContact O-NE 2.7Å
32I97.3Very high95.5Very high61 Ų6155.3 Ų55.331%0.31329%0.289SS..THydrogen-bonded Turntrans-62.9-29.2178.1-71.8171.6000111.6I30 L71 R72 S75I30-I32 PolarHBondContact O-N 3.02Å; I32-L71 HydrophobicContact CD1-CB 4.01Å; I32-L71 HydrophobicContact CD1-CD1 3.93Å; I32-L71 HydrophobicContact CG1-CB 4.46Å; I32-L71 HydrophobicContact CG2-CB 4.07Å; I32-R72 WeakPolarHBondContact O-CG 3.04Å; I32-S75 WeakPolarHBondContact O-CB 3.39Å; I32-S75 PolarHBondContact O-OG 2.69Å
33D96.9Very high95.5Very high97 Ų9761.8 Ų61.852%0.51931%0.313SS..THydrogen-bonded Turntrans-105.424.6-179.465.7-21.7000113.1K31K31-D33 WeakPolarHBondContact CB-OD1 3.48Å; K31-D33 PolarHBondContact O-N 3.15Å
34R97.3Very high95.6Very high39 Ų3961.8 Ų61.815%0.14731%0.314CS..  trans-51.5146.7-177.365.2154.8174.5-172.612.3112.7I30 K31 R80 E153 F186I30-R34 HydrophobicContact CG2-CB 4.14Å; I30-R34 VanDerWaalsContact CG2-CD 3.49Å; I30-R34 HydrophobicContact CG2-CG 3.97Å; K31-R34 PolarHBondContact O-N 2.64Å; R34-R80 PolarHBondContact O-NH2 2.75Å; R34-E153 IonicContact CZ-OE1 2.81Å; R34-E153 IonicContact CZ-OE2 3.96Å; R34-E153 VanDerWaalsContact NE-CD 3.32Å; R34-E153 IonicContact NE-OE1 3.63Å; R34-E153 PolarHBondContact NE-OE1 3.13Å; R34-E153 IonicContact NE-OE2 3.6Å; R34-E153 PolarHBondContact NE-OE2 3.19Å; R34-E153 IonicContact NH2-OE1 3.51Å; R34-E153 PolarHBondContact NH2-OE1 3.48Å; R34-E153 IonicContact NH2-OE2 2.68Å; R34-F186 PolarHBondContact NH1-O 2.86Å; R34-F186 PolarHBondContact NH2-O 2.97Å
35S96.2Very high95.5Very high114 Ų11467.7 Ų67.780%0.79734%0.338SS*.  trans-76.8155.3168.159.90000111.2
36I95.7Very high95.4Very high26 Ų2668.4 Ų68.413%0.13336%0.361CS..  trans-128.4157.1174.959.1171.2000109.5A154 Y188I36-A154 WeakPolarHBondContact CD1-O 3.46Å; I36-Y188 HydrophobicContact CD1-CD2 4.42Å; I36-Y188 HydrophobicContact CD1-CE2 4.05Å; I36-Y188 HydrophobicContact CG2-CD2 4.18Å; I36-Y188 HydrophobicContact CG2-CG 4.5Å
37K93.6Very high95.4Very high143 Ų14370.5 Ų70.562%0.62237%0.37SS*.  trans-73.3143.7175.8-67.2-177.5178-1800110I39K37-I39 HydrophobicContact CB-CG2 4.1Å; K37-I39 PolarHBondContact O-N 3.06Å
38D95.6Very high95.4Very high51 Ų5178 Ų7827%0.27341%0.41SS..  trans-77.4100.9168-168.2-1.5000109.7R40 K45 I156D38-R40 WeakPolarHBondContact OD1-CB 3.22Å; D38-R40 WeakPolarHBondContact OD1-CG 3.49Å; D38-R40 IonicContact OD1-CZ 2.74Å; D38-R40 PolarHBondContact OD1-N 3Å; D38-R40 IonicContact OD1-NE 2.73Å; D38-R40 PolarHBondContact OD1-NE 2.86Å; D38-R40 IonicContact OD1-NH2 2.67Å; D38-R40 IonicContact OD2-CZ 3.97Å; D38-R40 IonicContact OD2-NE 3.15Å; D38-R40 IonicContact OD2-NH2 3.14Å; D38-R40 PolarHBondContact OD2-NH2 3.09Å; D38-K45 WeakPolarHBondContact OD2-CE 3.48Å; D38-I156 HydrophobicContact CB-CD1 3.62Å
39I95.4Very high95.5Very high48 Ų4878.1 Ų78.125%0.24640%0.397CS..  trans-101.410.7-179.869.2170.2000113.2K37 D179 Y188 A190K37-I39 HydrophobicContact CB-CG2 4.1Å; K37-I39 PolarHBondContact O-N 3.06Å; I39-D179 WeakPolarHBondContact CD1-OD2 3.44Å; I39-Y188 HydrophobicContact CD1-CD1 4.02Å; I39-Y188 HydrophobicContact CD1-CE1 3.6Å; I39-Y188 HydrophobicContact CG1-CE1 4.11Å; I39-A190 HydrophobicContact CD1-CB 3.94Å
40R96.6Very high95.5Very high26 Ų2674.8 Ų74.810%0.09839%0.388CS..SBendtrans-65.6151.1176.3-63.4173.4-62.1156.51.7110.5D38 C44 I156 C275 R277D38-R40 WeakPolarHBondContact OD1-CB 3.22Å; D38-R40 WeakPolarHBondContact OD1-CG 3.49Å; D38-R40 IonicContact OD1-CZ 2.74Å; D38-R40 PolarHBondContact OD1-N 3Å; D38-R40 IonicContact OD1-NE 2.73Å; D38-R40 PolarHBondContact OD1-NE 2.86Å; D38-R40 IonicContact OD1-NH2 2.67Å; D38-R40 IonicContact OD2-CZ 3.97Å; D38-R40 IonicContact OD2-NE 3.15Å; D38-R40 IonicContact OD2-NH2 3.14Å; D38-R40 PolarHBondContact OD2-NH2 3.09Å; R40-C44 HydrophobicContact CB-CB 3.94Å; R40-I156 WeakPolarHBondContact CD-O 3.28Å; R40-I156 PolarHBondContact NE-O 3.37Å; R40-C275 VanDerWaalsContact CD-O 3.25Å; R40-C275 WeakPolarHBondContact CD-O 3.39Å; R40-R277 HydrophobicContact CG-CG 4.05Å
41H95.4Very high95.4Very high55 Ų5579.1 Ų79.126%0.25542%0.42SS..  trans-52.9139.3172.4-172.9-96000110.4R43 C44 P218H41-R43 WeakPolarHBondContact ND1-CB 3.33Å; H41-R43 PolarHBondContact ND1-N 3.42Å; H41-R43 PolarHBondContact O-N 3.11Å; H41-C44 VanDerWaalsContact O-CB 3.24Å; H41-C44 WeakPolarHBondContact O-CB 3.47Å; H41-C44 PolarHBondContact O-N 3.39Å; H41-P218 VanDerWaalsContact CE1-CG 3.46Å; H41-P218 WeakPolarHBondContact CE1-CG 3.45Å
42P95.6Very high95.3Very high96 Ų9677.9 Ų77.962%0.62342%0.421SS*.G310 helixtrans-53-33.6-175.2-30.836.5000114.8C44 K45P42-C44 PolarHBondContact O-N 2.93Å; P42-K45 PolarHBondContact O-N 3.11Å
43R95.5Very high95.3Very high136 Ų13676.4 Ų76.451%0.51341%0.414SS..G310 helixtrans-65.6-20.5177-65.9180179.3-179.82114H41 K45 Y216 E219H41-R43 WeakPolarHBondContact ND1-CB 3.33Å; H41-R43 PolarHBondContact ND1-N 3.42Å; H41-R43 PolarHBondContact O-N 3.11Å; R43-K45 VanDerWaalsContact C-N 3.28Å; R43-K45 PolarHBondContact O-N 3.5Å; R43-Y216 PolarHBondContact NH1-O 2.68Å; R43-E219 HydrophobicContact CB-CB 4.05Å; R43-E219 HydrophobicContact CB-CG 4Å; R43-E219 WeakPolarHBondContact CD-OE2 3.47Å; R43-E219 IonicContact NH1-OE1 3.34Å; R43-E219 IonicContact NH1-OE2 3.48Å
44C97.3Very high95.4Very high1 Ų172.6 Ų72.61%0.00739%0.394CS..G310 helixtrans-68.4-23.9174.8-68.60000113.7R40 H41 P42 G46 K47 C275R40-C44 HydrophobicContact CB-CB 3.94Å; H41-C44 VanDerWaalsContact O-CB 3.24Å; H41-C44 WeakPolarHBondContact O-CB 3.47Å; H41-C44 PolarHBondContact O-N 3.39Å; P42-C44 PolarHBondContact O-N 2.93Å; C44-G46 PolarHBondContact O-N 3.47Å; C44-K47 PolarHBondContact O-N 3.39Å; C44-C275 WeakPolarHBondContact CA-SG 3.45Å; C44-C275 HydrophobicContact CB-CB 3.71Å; C44-C275 WeakPolarHBondContact CB-SG 3.41Å; C44-C275 WeakPolarHBondContact SG-CA 3.49Å; C44-C275 WeakPolarHBondContact SG-CB 3.21Å; C44-C275 CovalentContact SG-SG 2.04Å; C44-C275 PolarHBondContact SG-SG 3.26Å
45K93.4Very high95.4Very high136 Ų13672.6 Ų72.659%0.59140%0.398SS*.G310 helixtrans-71.2-29.3-172.7-67.2-178.3178.4-179.50113.5D38 P42 R43D38-K45 WeakPolarHBondContact OD2-CE 3.48Å; P42-K45 PolarHBondContact O-N 3.11Å; R43-K45 VanDerWaalsContact C-N 3.28Å; R43-K45 PolarHBondContact O-N 3.5Å
46G90.1Very high95.6Very high66 Ų6667.1 Ų67.168%0.6836%0.361SS*.G310 helixtrans-99.73178.800000114.4C44 L48C44-G46 PolarHBondContact O-N 3.47Å; G46-L48 PolarHBondContact O-N 2.73Å
47K94.9Very high95.7Very high45 Ų4565.9 Ų65.920%0.19635%0.354CS..  trans-71.6129.3-177.2-174.4164.4-177.7150.30110.5C44 Y49 E220C44-K47 PolarHBondContact O-N 3.39Å; K47-Y49 HydrophobicContact CB-CE2 4.35Å; K47-Y49 HydrophobicContact CD-CE1 3.84Å; K47-Y49 HydrophobicContact CG-CE1 3.89Å; K47-Y49 HydrophobicContact CG-CE2 4.32Å; K47-Y49 WeakPolarHBondContact O-CE2 3.47Å; K47-E220 IonicContact NZ-OE1 2.78Å; K47-E220 PolarHBondContact NZ-OE1 3.28Å; K47-E220 IonicContact NZ-OE2 3.97Å; K47-E220 PolarHBondContact NZ-OE2 3.42Å
48L95.4Very high96Very high158 Ų15859.1 Ų59.183%0.82733%0.325SS*.  trans-93.1147.2173.2-58.1178000109.3G46G46-L48 PolarHBondContact O-N 2.73Å
49Y96.2Very high96.1Very high46 Ų4656.7 Ų56.718%0.1831%0.312CS..  trans-125.3163.7177.8-54.3-81.3000108.7K47 P160 P161 D164K47-Y49 HydrophobicContact CB-CE2 4.35Å; K47-Y49 HydrophobicContact CD-CE1 3.84Å; K47-Y49 HydrophobicContact CG-CE1 3.89Å; K47-Y49 HydrophobicContact CG-CE2 4.32Å; K47-Y49 WeakPolarHBondContact O-CE2 3.47Å; Y49-P160 HydrophobicContact CD1-CB 4.33Å; Y49-P160 HydrophobicContact CD2-CB 3.59Å; Y49-P160 HydrophobicContact CE2-CB 4.1Å; Y49-P160 HydrophobicContact CG-CB 3.73Å; Y49-P161 VanDerWaalsContact CE1-CA 3.41Å; Y49-P161 HydrophobicContact CE1-CB 3.59Å; Y49-P161 HydrophobicContact CE1-CG 4.31Å; Y49-D164 HydrophobicContact CD1-CB 3.8Å
50S95Very high96.3Very high49 Ų4954.4 Ų54.434%0.34330%0.3SS..  trans-51.3140.2174.7178.50000111.5N52 L53 D164S50-N52 PolarHBondContact O-N 2.75Å; S50-N52 PolarHBondContact OG-N 3.31Å; S50-N52 VanDerWaalsContact OG-N 3.11Å; S50-L53 WeakPolarHBondContact O-CG 3.4Å; S50-D164 WeakPolarHBondContact CB-OD1 3.41Å; S50-D164 PolarHBondContact N-OD1 3.31Å
51S93.3Very high96.4Very high111 Ų11153.5 Ų53.578%0.77630%0.297SS*.SBendtrans-72.2-19.8171.161.80000112.6
52N94.4Very high96.5Very high132 Ų13251.1 Ų51.171%0.70629%0.286SS*.  trans-107.868.3-175.8-62.4-14.6000109.4S50S50-N52 PolarHBondContact O-N 2.75Å; S50-N52 PolarHBondContact OG-N 3.31Å; S50-N52 VanDerWaalsContact OG-N 3.11Å
53L97.9Very high96.6Very high29 Ų2947.6 Ų47.615%0.15226%0.261CS..PPolyproline II helixtrans-84.9142.6175.1-64.6174.5000110.6S50 L85 P160 L163 D164 A167S50-L53 WeakPolarHBondContact O-CG 3.4Å; L53-L85 HydrophobicContact CB-CD1 4.3Å; L53-L85 HydrophobicContact CB-CD2 3.89Å; L53-L85 HydrophobicContact CD1-CD1 4.02Å; L53-P160 HydrophobicContact CD1-CB 3.85Å; L53-P160 HydrophobicContact CD1-CG 4.25Å; L53-L163 HydrophobicContact CB-CD1 4.28Å; L53-L163 HydrophobicContact CD2-CB 4.02Å; L53-D164 HydrophobicContact CD2-CB 4.27Å; L53-A167 HydrophobicContact CD2-CB 4.4Å
54P98.2Very high96.7Very high17 Ų1741.6 Ų41.611%0.1124%0.239CC..PPolyproline II helixtrans-69153179.528.7-35.8000112.2E143 V144 L163P54-E143 HydrophobicContact CB-CB 3.83Å; P54-V144 HydrophobicContact CB-CG2 3.93Å; P54-V144 HydrophobicContact CG-CG2 3.54Å; P54-L163 HydrophobicContact CG-CB 4.47Å; P54-L163 WeakPolarHBondContact O-CD1 3.43Å
55T98.5Very high96.7Very high39 Ų3941.5 Ų41.524%0.23924%0.239CC..PPolyproline II helixtrans-70.9151.9170.957.40000111.7L85 E143 V144T55-L85 CarbonylContact C-O 3.53Å; T55-L85 WeakPolarHBondContact CA-O 3.34Å; T55-E143 PolarHBondContact N-OE2 3.31Å; T55-E143 PolarHBondContact O-N 3.13Å; T55-E143 PolarHBondContact OG1-OE2 3.46Å; T55-V144 PolarHBondContact O-N 3.23Å
56V98.8Very high96.9Very high0 Ų036 Ų360%022%0.215CC..EExtended strand (participates in β ladder)trans-127.7144.5-173.6-42.70000113.4V58 L85 I86 K87 E88 V144 I146 L159 L163V56-V58 HydrophobicContact CG2-CG2 4.06Å; V56-L85 PolarHBondContact N-O 2.87Å; V56-I86 HydrophobicContact CG2-CD1 3.47Å; V56-I86 VanDerWaalsContact CG2-CD1 3.47Å; V56-K87 WeakPolarHBondContact O-CB 3.47Å; V56-K87 PolarHBondContact O-N 2.71Å; V56-E88 PolarHBondContact O-N 2.99Å; V56-V144 CarbonylContact C-O 3.52Å; V56-V144 VanDerWaalsContact CA-O 3.26Å; V56-V144 WeakPolarHBondContact CA-O 3.37Å; V56-V144 HydrophobicContact CG1-CB 4.12Å; V56-I146 HydrophobicContact CB-CD1 3.92Å; V56-I146 HydrophobicContact CB-CG1 4.3Å; V56-I146 HydrophobicContact CG1-CD1 4.01Å; V56-I146 HydrophobicContact CG2-CD1 3.92Å; V56-L159 HydrophobicContact CG1-CD1 4.25Å; V56-L159 HydrophobicContact CG2-CD1 4.42Å; V56-L159 HydrophobicContact CG2-CD2 4.45Å; V56-L163 HydrophobicContact CG1-CD1 3.61Å; V56-L163 HydrophobicContact CG1-CD2 3.63Å; V56-L163 HydrophobicContact CG1-CG 4.21Å
57S98.9Very high97.3Very high0 Ų034 Ų340%019%0.187CC..EExtended strand (participates in β ladder)trans-106.6120.1161.9-61.40000108.6E88 T141 G142 V144 I146S57-E88 WeakPolarHBondContact CA-O 3.2Å; S57-E88 VanDerWaalsContact OG-CG 3.3Å; S57-E88 WeakPolarHBondContact OG-CG 3.4Å; S57-E88 PolarHBondContact OG-OE1 2.93Å; S57-T141 PolarHBondContact OG-N 3.13Å; S57-G142 WeakPolarHBondContact OG-CA 3.37Å; S57-G142 PolarHBondContact OG-N 2.83Å; S57-V144 PolarHBondContact N-O 3.09Å; S57-I146 PolarHBondContact O-N 2.79Å
58V98.9Very high97.4Very high0 Ų034.3 Ų34.30%019%0.189CC..EExtended strand (participates in β ladder)trans-93.4118.7177.1-173.70000109.1V56 I60 V77 I86 E88 V89 I90 I146 L148V56-V58 HydrophobicContact CG2-CG2 4.06Å; V58-I60 HydrophobicContact CG1-CD1 4.33Å; V58-I60 HydrophobicContact CG1-CG1 4.09Å; V58-V77 HydrophobicContact CB-CG1 4.32Å; V58-V77 HydrophobicContact CG1-CG1 4.25Å; V58-V77 HydrophobicContact CG1-CG2 4.39Å; V58-V77 HydrophobicContact CG2-CG1 3.86Å; V58-I86 HydrophobicContact CG2-CD1 4.08Å; V58-E88 PolarHBondContact N-O 2.78Å; V58-V89 HydrophobicContact CB-CG1 4.44Å; V58-V89 HydrophobicContact CB-CG2 4.27Å; V58-V89 CarbonylContact O-C 3.48Å; V58-V89 WeakPolarHBondContact O-CA 3.4Å; V58-I90 PolarHBondContact O-N 2.86Å; V58-I146 CarbonylContact C-O 3.56Å; V58-I146 WeakPolarHBondContact CA-O 2.91Å; V58-I146 HydrophobicContact CG1-CG2 4.49Å; V58-I146 HydrophobicContact CG2-CB 4.29Å; V58-I146 HydrophobicContact CG2-CD1 4.46Å; V58-L148 HydrophobicContact CG1-CD1 3.68Å; V58-L148 HydrophobicContact CG1-CG 4.08Å
59I98.9Very high97.6Very high0 Ų026.9 Ų26.90%015%0.15CC..EExtended strand (participates in β ladder)trans-106.4117.7-176.5-60.7156.4000108.7P61 I90 V92 A137 A140 L145 I146 F147 L148I59-P61 WeakPolarHBondContact O-CD 3.42Å; I59-I90 WeakPolarHBondContact CA-O 3.47Å; I59-V92 HydrophobicContact CG2-CG2 4.1Å; I59-A137 HydrophobicContact CD1-CB 4.06Å; I59-A140 HydrophobicContact CD1-CB 4.32Å; I59-L145 HydrophobicContact CD1-CB 4.28Å; I59-L145 HydrophobicContact CD1-CD2 4.19Å; I59-I146 PolarHBondContact N-O 2.86Å; I59-F147 HydrophobicContact CB-CD1 3.86Å; I59-F147 HydrophobicContact CB-CE1 4.03Å; I59-F147 HydrophobicContact CD1-CD1 4.14Å; I59-F147 HydrophobicContact CD1-CE1 3.52Å; I59-F147 HydrophobicContact CD1-CZ 3.84Å; I59-F147 HydrophobicContact CG1-CE1 4.4Å; I59-F147 HydrophobicContact CG2-CD1 3.96Å; I59-F147 HydrophobicContact CG2-CE1 4Å; I59-F147 WeakPolarHBondContact O-CA 3.4Å; I59-L148 PolarHBondContact O-N 3.03Å; I59-L148 VanDerWaalsContact O-N 3.1Å
60I98.9Very high97.7Very high0 Ų024.7 Ų24.70%014%0.141CC..EExtended strand (participates in β ladder)trans-119.290.6-176.9-53.9175000108.4V58 L70 T73 V74 V89 I90 L91 V92 L148V58-I60 HydrophobicContact CG1-CD1 4.33Å; V58-I60 HydrophobicContact CG1-CG1 4.09Å; I60-L70 HydrophobicContact CG2-CD1 4.37Å; I60-T73 HydrophobicContact CD1-CG2 3.88Å; I60-V74 HydrophobicContact CD1-CG2 4.31Å; I60-V89 HydrophobicContact CD1-CG1 3.75Å; I60-V89 HydrophobicContact CG1-CG1 4.4Å; I60-I90 PolarHBondContact N-O 2.96Å; I60-L91 HydrophobicContact CB-CD2 3.73Å; I60-L91 HydrophobicContact CD1-CD2 3.89Å; I60-L91 HydrophobicContact CG1-CD2 4.26Å; I60-L91 HydrophobicContact CG2-CD2 4.21Å; I60-L91 WeakPolarHBondContact O-CA 3.45Å; I60-V92 PolarHBondContact O-N 3.35Å; I60-L148 HydrophobicContact CG1-CB 4.36Å
61P98.6Very high97.8Very high7 Ų722.5 Ų22.55%0.04513%0.126CC..EExtended strand (participates in β ladder)trans-67140.7170.331-36.6000110.2I59 V92 L129 A132 K133 L148I59-P61 WeakPolarHBondContact O-CD 3.42Å; P61-V92 CarbonylContact C-O 3.46Å; P61-V92 WeakPolarHBondContact CA-O 3.27Å; P61-L129 HydrophobicContact CB-CD1 3.94Å; P61-L129 HydrophobicContact CG-CD1 3.43Å; P61-L129 VanDerWaalsContact CG-CD1 3.43Å; P61-A132 HydrophobicContact CB-CB 3.66Å; P61-K133 HydrophobicContact CG-CG 3.9Å; P61-L148 WeakPolarHBondContact CD-O 3.43Å
62F98.5Very high98.1Very high5 Ų517.4 Ų17.42%0.0229%0.09CC..EExtended strand (participates in β ladder)trans-143.5150175.273-89.9000111.4E65 L70 L91 V92 D93 D94 L101 L105 V120F62-E65 HydrophobicContact CB-CB 4.05Å; F62-E65 HydrophobicContact CD2-CB 4.33Å; F62-L70 HydrophobicContact CB-CD1 4.32Å; F62-L70 HydrophobicContact CD1-CD1 4.21Å; F62-L70 HydrophobicContact CD1-CD2 4.46Å; F62-L70 HydrophobicContact CD2-CD2 4.42Å; F62-L70 HydrophobicContact CE1-CD2 4.45Å; F62-L70 HydrophobicContact CE2-CD2 4.42Å; F62-L70 HydrophobicContact CG-CD1 4.3Å; F62-L70 HydrophobicContact CG-CD2 4.42Å; F62-L70 HydrophobicContact CZ-CD2 4.39Å; F62-L91 HydrophobicContact CD1-CB 4.21Å; F62-L91 HydrophobicContact CE1-CB 3.82Å; F62-V92 WeakPolarHBondContact CD1-O 3.06Å; F62-V92 PolarHBondContact N-O 2.91Å; F62-D93 HydrophobicContact CE1-CB 3.74Å; F62-D93 HydrophobicContact CE2-CB 3.74Å; F62-D93 HydrophobicContact CZ-CB 3.31Å; F62-D94 PolarHBondContact O-N 2.99Å; F62-L101 HydrophobicContact CD2-CD1 4.2Å; F62-L101 HydrophobicContact CD2-CD2 4.41Å; F62-L101 HydrophobicContact CE2-CB 4.06Å; F62-L101 HydrophobicContact CE2-CD1 3.97Å; F62-L101 HydrophobicContact CE2-CD2 3.94Å; F62-L101 HydrophobicContact CE2-CG 4.2Å; F62-L105 HydrophobicContact CE1-CD2 4.26Å; F62-L105 HydrophobicContact CE2-CD2 4.48Å; F62-L105 HydrophobicContact CZ-CD2 3.66Å; F62-V120 HydrophobicContact CE1-CG2 4.07Å; F62-V120 HydrophobicContact CZ-CG2 4.21Å
63F97.7Very high98.3Very high23 Ų2311.1 Ų11.110%0.1016%0.056CC..SBendtrans-143.9123.3172.4179.4-109.1000108.1E65 D94 S96 R126 F289 P290F63-E65 PolarHBondContact O-N 2.74Å; F63-E65 VanDerWaalsContact O-N 3.11Å; F63-D94 HydrophobicContact CB-CB 4.32Å; F63-D94 WeakPolarHBondContact CD2-O 3.38Å; F63-S96 WeakPolarHBondContact CA-OG 3.42Å; F63-R126 HydrophobicContact CD2-CG 4.25Å; F63-R126 HydrophobicContact CE2-CB 4.31Å; F63-R126 HydrophobicContact CE2-CG 4Å; F63-R126 HydrophobicContact CZ-CG 4.37Å; F63-F289 HydrophobicContact CD1-CD2 4.1Å; F63-F289 HydrophobicContact CD1-CG 4.49Å; F63-F289 HydrophobicContact CE1-CB 4.13Å; F63-F289 WeakPolarHBondContact O-CE2 3.34Å; F63-P290 HydrophobicContact CZ-CB 4.27Å; F63-P290 HydrophobicContact CZ-CG 4.13Å
64E97.3Very high98.3Very high9 Ų99.7 Ų9.74%0.0425%0.049CC..SBendtrans56.927178.1-64.6-73.1135.100113.4N20 S96 S97 R98 F289N20-E64 PolarHBondContact ND2-O 2.88Å; E64-S96 PolarHBondContact N-OG 3.29Å; E64-S97 WeakPolarHBondContact OE1-CA 3.37Å; E64-S97 WeakPolarHBondContact OE1-CB 3.47Å; E64-S97 PolarHBondContact OE1-N 2.84Å; E64-S97 PolarHBondContact OE1-OG 3.46Å; E64-R98 PolarHBondContact O-NE 3.45Å; E64-R98 PolarHBondContact O-NH1 2.79Å; E64-R98 VanDerWaalsContact O-NH1 3.16Å; E64-R98 PolarHBondContact O-NH2 3.42Å; E64-R98 PolarHBondContact OE1-N 2.89Å; E64-R98 WeakPolarHBondContact OE2-CD 3.5Å; E64-R98 WeakPolarHBondContact OE2-CG 3.44Å; E64-R98 IonicContact OE2-CZ 3.79Å; E64-R98 IonicContact OE2-NE 3.65Å; E64-R98 PolarHBondContact OE2-NE 2.84Å; E64-R98 IonicContact OE2-NH2 2.69Å; E64-F289 HydrophobicContact CB-CD1 3.55Å; E64-F289 HydrophobicContact CB-CD2 4.29Å; E64-F289 HydrophobicContact CB-CE1 3.51Å; E64-F289 HydrophobicContact CB-CE2 4.24Å; E64-F289 HydrophobicContact CB-CG 3.96Å; E64-F289 HydrophobicContact CB-CZ 3.88Å; E64-F289 HydrophobicContact CG-CD1 4.23Å; E64-F289 HydrophobicContact CG-CG 4.37Å; E64-F289 WeakPolarHBondContact O-CE1 3.47Å
65E97.8Very high98.3Very high0 Ų09.4 Ų9.40%05%0.047CC..  trans-72.7148.9-171.3-165.960.5-84.300113N20 F62 F63 L70 Y100 S150 H151 R283N20-E65 PolarHBondContact ND2-OE1 2.69Å; F62-E65 HydrophobicContact CB-CB 4.05Å; F62-E65 HydrophobicContact CD2-CB 4.33Å; F63-E65 PolarHBondContact O-N 2.74Å; F63-E65 VanDerWaalsContact O-N 3.11Å; E65-L70 HydrophobicContact CG-CB 4.14Å; E65-Y100 WeakPolarHBondContact O-CE2 3.35Å; E65-Y100 PolarHBondContact O-OH 2.88Å; E65-S150 PolarHBondContact OE2-OG 2.58Å; E65-H151 IonicContact OE2-CE1 3.03Å; E65-H151 IonicContact OE2-CG 2.62Å; E65-H151 IonicContact OE2-ND1 3.15Å; E65-H151 PolarHBondContact OE2-ND1 3.3Å; E65-R283 IonicContact OE2-NH2 3.37Å
66H97.2Very high98.3Very high19 Ų197.7 Ų7.79%0.0884%0.037CC..  trans-69.2138.5173.8178.5-103.3000111.2N20 F22 V24 E68 T69 L70N20-H66 HydrophobicContact CB-CB 4.41Å; N20-H66 PolarHBondContact ND2-N 3.41Å; F22-H66 HydrophobicContact CE2-CB 4.08Å; F22-H66 HydrophobicContact CZ-CB 4.04Å; V24-H66 WeakPolarHBondContact CB-NE2 3.08Å; V24-H66 HydrophobicContact CG1-CB 4.18Å; V24-H66 WeakPolarHBondContact CG1-CD2 3.44Å; H66-E68 IonicContact CE1-OE2 3.01Å; H66-E68 PolarHBondContact CE1-OE2 3.46Å; H66-E68 IonicContact ND1-OE2 3.99Å; H66-E68 IonicContact NE2-OE2 3.95Å; H66-E68 PolarHBondContact NE2-OE2 2.99Å; H66-E68 VanDerWaalsContact NE2-OE2 3.14Å; H66-E68 PolarHBondContact O-N 2.6Å; H66-T69 WeakPolarHBondContact CB-OG1 3.48Å; H66-T69 PolarHBondContact O-N 3.35Å; H66-T69 PolarHBondContact O-OG1 3.44Å; H66-L70 PolarHBondContact O-N 2.93Å; H66-L70 VanDerWaalsContact O-N 3.1Å
67W97.7Very high98.3Very high24 Ų247.7 Ų7.79%0.0914%0.037CC..Hα-helixtrans-58.3-52.7-171177.2-96.7000112.4T69 L70 L71 Y100 R104 L105 H108W67-T69 VanDerWaalsContact C-N 3.34Å; W67-T69 PolarHBondContact O-N 3.33Å; W67-L70 PolarHBondContact O-N 3.23Å; W67-L71 HydrophobicContact CD2-CD1 4.19Å; W67-L71 VanDerWaalsContact CE2-CD1 3.48Å; W67-L71 HydrophobicContact CG-CD1 4.48Å; W67-L71 HydrophobicContact CZ2-CD1 3.75Å; W67-L71 VanDerWaalsContact NE1-CD1 3.33Å; W67-L71 WeakPolarHBondContact O-CG 3.13Å; W67-L71 PolarHBondContact O-N 3.05Å; W67-L71 VanDerWaalsContact O-N 3.1Å; W67-Y100 HydrophobicContact CB-CD2 4.3Å; W67-Y100 HydrophobicContact CB-CE2 4.07Å; W67-Y100 AromaticContact CE3-CD2 3.78Å; W67-Y100 HydrophobicContact CE3-CD2 3.78Å; W67-Y100 HydrophobicContact CE3-CE2 4.45Å; W67-Y100 VanDerWaalsContact CZ3-O 3.29Å; W67-Y100 WeakPolarHBondContact CZ3-O 3.37Å; W67-R104 HydrophobicContact CH2-CG 3.84Å; W67-R104 HydrophobicContact CZ3-CG 4.11Å; W67-L105 HydrophobicContact CH2-CD1 4.49Å; W67-L105 HydrophobicContact CZ3-CB 4.14Å; W67-L105 HydrophobicContact CZ3-CD1 4.16Å; W67-H108 HydrophobicContact CH2-CB 3.76Å; W67-H108 AromaticContact CH2-CG 3.98Å; W67-H108 HydrophobicContact CZ2-CB 4.12Å; W67-H108 AromaticContact CZ2-CG 3.88Å
68E97.9Very high98.2Very high52 Ų529.3 Ų9.324%0.2435%0.045CC..Hα-helixtrans-68.7-32-176.2-71.773.3-170.200112.4H66 R72H66-E68 IonicContact CE1-OE2 3.01Å; H66-E68 PolarHBondContact CE1-OE2 3.46Å; H66-E68 IonicContact ND1-OE2 3.99Å; H66-E68 IonicContact NE2-OE2 3.95Å; H66-E68 PolarHBondContact NE2-OE2 2.99Å; H66-E68 VanDerWaalsContact NE2-OE2 3.14Å; H66-E68 PolarHBondContact O-N 2.6Å; E68-R72 WeakPolarHBondContact O-CB 3.08Å; E68-R72 PolarHBondContact O-N 3.16Å; E68-R72 PolarHBondContact O-NH1 2.82Å
69T98.2Very high98.2Very high2 Ų214.6 Ų14.61%0.0127%0.074CC..Hα-helixtrans-72.7-40178.449.10000111.6F22 S27 H66 W67 R72 T73 S150 F186 I281F22-T69 HydrophobicContact CE2-CG2 3.72Å; F22-T69 HydrophobicContact CZ-CG2 3.8Å; S27-T69 WeakPolarHBondContact OG-CG2 3.45Å; H66-T69 WeakPolarHBondContact CB-OG1 3.48Å; H66-T69 PolarHBondContact O-N 3.35Å; H66-T69 PolarHBondContact O-OG1 3.44Å; W67-T69 VanDerWaalsContact C-N 3.34Å; W67-T69 PolarHBondContact O-N 3.33Å; T69-R72 PolarHBondContact O-N 2.84Å; T69-T73 PolarHBondContact O-N 3.1Å; T69-T73 PolarHBondContact O-OG1 2.76Å; T69-S150 CarbonylContact C-O 3.52Å; T69-F186 HydrophobicContact CG2-CE1 4.01Å; T69-F186 HydrophobicContact CG2-CZ 4.05Å; T69-I281 HydrophobicContact CG2-CD1 3.62Å
70L98.7Very high98.1Very high0 Ų016.6 Ų16.60%08%0.081CC..Hα-helixtrans-60.5-51.9174.6178.762.5000110.7I60 F62 E65 H66 W67 R72 T73 V74 L91 L101 L105 S150I60-L70 HydrophobicContact CG2-CD1 4.37Å; F62-L70 HydrophobicContact CB-CD1 4.32Å; F62-L70 HydrophobicContact CD1-CD1 4.21Å; F62-L70 HydrophobicContact CD1-CD2 4.46Å; F62-L70 HydrophobicContact CD2-CD2 4.42Å; F62-L70 HydrophobicContact CE1-CD2 4.45Å; F62-L70 HydrophobicContact CE2-CD2 4.42Å; F62-L70 HydrophobicContact CG-CD1 4.3Å; F62-L70 HydrophobicContact CG-CD2 4.42Å; F62-L70 HydrophobicContact CZ-CD2 4.39Å; E65-L70 HydrophobicContact CG-CB 4.14Å; H66-L70 PolarHBondContact O-N 2.93Å; H66-L70 VanDerWaalsContact O-N 3.1Å; W67-L70 PolarHBondContact O-N 3.23Å; L70-R72 PolarHBondContact O-N 2.87Å; L70-T73 WeakPolarHBondContact O-CB 3.19Å; L70-T73 PolarHBondContact O-N 3.38Å; L70-V74 PolarHBondContact O-N 2.83Å; L70-L91 HydrophobicContact CD1-CD1 4.36Å; L70-L91 HydrophobicContact CD1-CD2 4.22Å; L70-L91 HydrophobicContact CD2-CD1 4.43Å; L70-L91 HydrophobicContact CG-CD1 4.47Å; L70-L101 HydrophobicContact CD2-CD2 4Å; L70-L105 HydrophobicContact CD2-CD1 4.34Å; L70-L105 HydrophobicContact CD2-CD2 4.19Å; L70-S150 WeakPolarHBondContact CA-O 3.38Å
71L98.5Very high98Very high4 Ų417.5 Ų17.52%0.0219%0.088CC..Hα-helixtrans-67.4-34.2-179.9-64.7-175000113I32 W67 T73 V74 S75 L105 H108I32-L71 HydrophobicContact CD1-CB 4.01Å; I32-L71 HydrophobicContact CD1-CD1 3.93Å; I32-L71 HydrophobicContact CG1-CB 4.46Å; I32-L71 HydrophobicContact CG2-CB 4.07Å; W67-L71 HydrophobicContact CD2-CD1 4.19Å; W67-L71 VanDerWaalsContact CE2-CD1 3.48Å; W67-L71 HydrophobicContact CG-CD1 4.48Å; W67-L71 HydrophobicContact CZ2-CD1 3.75Å; W67-L71 VanDerWaalsContact NE1-CD1 3.33Å; W67-L71 WeakPolarHBondContact O-CG 3.13Å; W67-L71 PolarHBondContact O-N 3.05Å; W67-L71 VanDerWaalsContact O-N 3.1Å; L71-T73 VanDerWaalsContact C-N 3.3Å; L71-T73 PolarHBondContact O-N 2.96Å; L71-V74 PolarHBondContact O-N 2.77Å; L71-S75 VanDerWaalsContact O-CB 3.24Å; L71-S75 WeakPolarHBondContact O-CB 3.13Å; L71-S75 PolarHBondContact O-N 3.15Å; L71-L105 HydrophobicContact CD2-CD1 4.45Å; L71-H108 WeakPolarHBondContact CD1-NE2 3.4Å
72R98.4Very high97.8Very high3 Ų319.6 Ų19.61%0.01110%0.102CC..Hα-helixtrans-65.3-35.6174.7-173.4174.9-54.3103-2111.7S27 I30 K31 I32 E68 T69 L70 S76 E153S27-R72 PolarHBondContact O-NH2 3.39Å; S27-R72 PolarHBondContact OG-NH1 2.04Å; I30-R72 PolarHBondContact O-NH2 3.36Å; K31-R72 PolarHBondContact O-NE 2.7Å; I32-R72 WeakPolarHBondContact O-CG 3.04Å; E68-R72 WeakPolarHBondContact O-CB 3.08Å; E68-R72 PolarHBondContact O-N 3.16Å; E68-R72 PolarHBondContact O-NH1 2.82Å; T69-R72 PolarHBondContact O-N 2.84Å; L70-R72 PolarHBondContact O-N 2.87Å; R72-S76 VanDerWaalsContact O-CB 3.28Å; R72-S76 WeakPolarHBondContact O-CB 3.45Å; R72-S76 PolarHBondContact O-N 2.68Å; R72-S76 PolarHBondContact O-OG 2.66Å; R72-E153 VanDerWaalsContact CD-OE1 3.25Å; R72-E153 WeakPolarHBondContact CD-OE1 3.48Å; R72-E153 HydrophobicContact CG-CG 3.84Å
73T98.8Very high97.5Very high0 Ų025.4 Ų25.40%014%0.143CC..Hα-helixtrans-59.7-54171.8-52.90000110.5I60 T69 L70 L71 S75 S76 V77 S150 C152I60-T73 HydrophobicContact CD1-CG2 3.88Å; T69-T73 PolarHBondContact O-N 3.1Å; T69-T73 PolarHBondContact O-OG1 2.76Å; L70-T73 WeakPolarHBondContact O-CB 3.19Å; L70-T73 PolarHBondContact O-N 3.38Å; L71-T73 VanDerWaalsContact C-N 3.3Å; L71-T73 PolarHBondContact O-N 2.96Å; T73-S75 PolarHBondContact O-N 2.78Å; T73-S76 PolarHBondContact O-N 3.26Å; T73-S76 PolarHBondContact O-OG 3.04Å; T73-V77 WeakPolarHBondContact O-CG2 3.33Å; T73-V77 PolarHBondContact O-N 2.66Å; T73-V77 VanDerWaalsContact O-N 3.09Å; T73-S150 VanDerWaalsContact OG1-C 3.32Å; T73-S150 PolarHBondContact OG1-O 3.13Å; T73-C152 WeakPolarHBondContact CA-O 3.45Å; T73-C152 WeakPolarHBondContact CB-O 2.89Å; T73-C152 HydrophobicContact CG2-CB 3.97Å; T73-C152 PolarHBondContact OG1-N 2.87Å; T73-C152 PolarHBondContact OG1-O 2.81Å; T73-C152 VanDerWaalsContact OG1-O 3.07Å
74V98.6Very high97.3Very high0 Ų027.5 Ų27.50%017%0.171CC..Hα-helixtrans-56.9-50.6177.8177.30000111.9I60 L70 L71 S76 V77 L78 L91 Y113 V118I60-V74 HydrophobicContact CD1-CG2 4.31Å; L70-V74 PolarHBondContact O-N 2.83Å; L71-V74 PolarHBondContact O-N 2.77Å; V74-S76 VanDerWaalsContact C-N 3.32Å; V74-S76 PolarHBondContact O-N 3.41Å; V74-V77 PolarHBondContact O-N 2.92Å; V74-L78 HydrophobicContact CG1-CD1 3.94Å; V74-L78 WeakPolarHBondContact O-CG 3.41Å; V74-L78 PolarHBondContact O-N 2.78Å; V74-L78 VanDerWaalsContact O-N 3.12Å; V74-L91 HydrophobicContact CG2-CD1 4.3Å; V74-L91 HydrophobicContact CG2-CD2 3.75Å; V74-Y113 HydrophobicContact CG1-CE2 4.17Å; V74-V118 HydrophobicContact CG1-CG1 3.99Å; V74-V118 HydrophobicContact CG1-CG2 3.77Å
75S98.1Very high97.3Very high11 Ų1128.2 Ų28.28%0.07718%0.175CC..Hα-helixtrans-56.7-45.2178.8175.70000111.7I32 L71 T73 V77 L78 N79I32-S75 WeakPolarHBondContact O-CB 3.39Å; I32-S75 PolarHBondContact O-OG 2.69Å; L71-S75 VanDerWaalsContact O-CB 3.24Å; L71-S75 WeakPolarHBondContact O-CB 3.13Å; L71-S75 PolarHBondContact O-N 3.15Å; T73-S75 PolarHBondContact O-N 2.78Å; S75-V77 PolarHBondContact O-N 2.95Å; S75-L78 PolarHBondContact O-N 2.83Å; S75-N79 WeakPolarHBondContact O-CB 3.3Å; S75-N79 PolarHBondContact O-N 2.86Å; S75-N79 PolarHBondContact O-ND2 2.97Å; S75-N79 PolarHBondContact OG-ND2 3.22Å; S75-N79 VanDerWaalsContact OG-ND2 3.14Å
76S98.4Very high97.3Very high2 Ų229.1 Ų29.11%0.01418%0.18CC..Hα-helixtrans-64.5-39.5179.774.60000113.5R72 T73 V74 R80 E153 A154R72-S76 VanDerWaalsContact O-CB 3.28Å; R72-S76 WeakPolarHBondContact O-CB 3.45Å; R72-S76 PolarHBondContact O-N 2.68Å; R72-S76 PolarHBondContact O-OG 2.66Å; T73-S76 PolarHBondContact O-N 3.26Å; T73-S76 PolarHBondContact O-OG 3.04Å; V74-S76 VanDerWaalsContact C-N 3.32Å; V74-S76 PolarHBondContact O-N 3.41Å; S76-R80 VanDerWaalsContact CB-NH1 3.26Å; S76-R80 WeakPolarHBondContact O-CB 3.05Å; S76-R80 WeakPolarHBondContact O-CG 3.5Å; S76-R80 PolarHBondContact O-N 2.82Å; S76-E153 WeakPolarHBondContact OG-CA 3.07Å; S76-A154 PolarHBondContact OG-N 3.25Å
77V98.5Very high97.4Very high0 Ų033 Ų330%020%0.197CC..Hα-helixtrans-62.5-49.9178.5163.70000110.1V58 T73 V74 S75 A81 I86 V89 L148 W158V58-V77 HydrophobicContact CB-CG1 4.32Å; V58-V77 HydrophobicContact CG1-CG1 4.25Å; V58-V77 HydrophobicContact CG1-CG2 4.39Å; V58-V77 HydrophobicContact CG2-CG1 3.86Å; T73-V77 WeakPolarHBondContact O-CG2 3.33Å; T73-V77 PolarHBondContact O-N 2.66Å; T73-V77 VanDerWaalsContact O-N 3.09Å; V74-V77 PolarHBondContact O-N 2.92Å; S75-V77 PolarHBondContact O-N 2.95Å; V77-A81 WeakPolarHBondContact O-CB 3.48Å; V77-A81 PolarHBondContact O-N 2.6Å; V77-I86 HydrophobicContact CG1-CD1 4.26Å; V77-V89 HydrophobicContact CG1-CG2 4.09Å; V77-L148 HydrophobicContact CG2-CD1 3.48Å; V77-L148 VanDerWaalsContact CG2-CD1 3.48Å; V77-W158 HydrophobicContact CG1-CZ2 4.11Å; V77-W158 HydrophobicContact CG2-CZ2 4.46Å
78L97.6Very high97.4Very high35 Ų3532.6 Ų32.618%0.18320%0.195CC..Hα-helixtrans-70.9-47.8-176.7-65174.1000112.2V74 S75 R80 I86 V89 Y113 I117 V118V74-L78 HydrophobicContact CG1-CD1 3.94Å; V74-L78 WeakPolarHBondContact O-CG 3.41Å; V74-L78 PolarHBondContact O-N 2.78Å; V74-L78 VanDerWaalsContact O-N 3.12Å; S75-L78 PolarHBondContact O-N 2.83Å; L78-R80 PolarHBondContact O-N 3.47Å; L78-I86 HydrophobicContact CD2-CG2 3.94Å; L78-V89 HydrophobicContact CD2-CG2 3.92Å; L78-V89 HydrophobicContact CG-CG2 4.44Å; L78-Y113 HydrophobicContact CD1-CD1 4.18Å; L78-Y113 HydrophobicContact CD1-CE1 3.44Å; L78-Y113 VanDerWaalsContact CD1-CE1 3.44Å; L78-I117 HydrophobicContact CD2-CD1 4.25Å; L78-V118 HydrophobicContact CD1-CG2 3.75Å
79N97Very high97.5Very high111 Ų11130.1 Ų30.159%0.59418%0.184SC*.Hα-helixtrans-71.5-17.2-172.7-68.8-17.9000113.9S75S75-N79 WeakPolarHBondContact O-CB 3.3Å; S75-N79 PolarHBondContact O-N 2.86Å; S75-N79 PolarHBondContact O-ND2 2.97Å; S75-N79 PolarHBondContact OG-ND2 3.22Å; S75-N79 VanDerWaalsContact OG-ND2 3.14Å
80R97.2Very high97.5Very high42 Ų4230 Ų3016%0.15818%0.183CC..THydrogen-bonded Turntrans-118.79.7-173-56.4172.5-171.5145.27.2113.3R34 S76 L78 A154R34-R80 PolarHBondContact O-NH2 2.75Å; S76-R80 VanDerWaalsContact CB-NH1 3.26Å; S76-R80 WeakPolarHBondContact O-CB 3.05Å; S76-R80 WeakPolarHBondContact O-CG 3.5Å; S76-R80 PolarHBondContact O-N 2.82Å; L78-R80 PolarHBondContact O-N 3.47Å; R80-A154 WeakPolarHBondContact CD-O 3.3Å; R80-A154 PolarHBondContact NH1-O 3.44Å
81A96.8Very high97.5Very high18 Ų1830 Ų3015%0.14918%0.183CC..SBendtrans-99.6145.4171.400000110.8V77 I86 L159V77-A81 WeakPolarHBondContact O-CB 3.48Å; V77-A81 PolarHBondContact O-N 2.6Å; A81-I86 HydrophobicContact CB-CD1 3.81Å; A81-I86 HydrophobicContact CB-CG1 3.59Å; A81-L159 HydrophobicContact CB-CB 4.49Å; A81-L159 HydrophobicContact CB-CD2 3.77Å
82P94.8Very high97.5Very high51 Ų5129.8 Ų29.833%0.33118%0.182SC..PPolyproline II helixtrans-58.5142.3168.5-22.232.5000112G84 L85 P160P82-G84 PolarHBondContact O-N 3.39Å; P82-L85 HydrophobicContact CB-CD1 3.94Å; P82-L85 HydrophobicContact CB-CG 4.38Å; P82-L85 HydrophobicContact CG-CD1 3.93Å; P82-L85 PolarHBondContact O-N 3.28Å; P82-P160 HydrophobicContact CG-CG 3.79Å
83S92.2Very high97.6Very high128 Ų12829.7 Ų29.790%0.89518%0.182SC*.THydrogen-bonded Turntrans-56.2137178.5-57.60000111.8L85S83-L85 VanDerWaalsContact C-N 3.35Å; S83-L85 PolarHBondContact O-N 3.42Å
84G93.8Very high97.5Very high66 Ų6630 Ų3068%0.6818%0.183SC*.THydrogen-bonded Turntrans87.1-12.4175.700000115.8P82P82-G84 PolarHBondContact O-N 3.39Å
85L97.7Very high97.4Very high24 Ų2431 Ų3113%0.12619%0.193CC..THydrogen-bonded Turntrans-82.5-36.9177.4-64.4-177000113.1L53 T55 V56 P82 S83 K87 L159 L163L53-L85 HydrophobicContact CB-CD1 4.3Å; L53-L85 HydrophobicContact CB-CD2 3.89Å; L53-L85 HydrophobicContact CD1-CD1 4.02Å; T55-L85 CarbonylContact C-O 3.53Å; T55-L85 WeakPolarHBondContact CA-O 3.34Å; V56-L85 PolarHBondContact N-O 2.87Å; P82-L85 HydrophobicContact CB-CD1 3.94Å; P82-L85 HydrophobicContact CB-CG 4.38Å; P82-L85 HydrophobicContact CG-CD1 3.93Å; P82-L85 PolarHBondContact O-N 3.28Å; S83-L85 VanDerWaalsContact C-N 3.35Å; S83-L85 PolarHBondContact O-N 3.42Å; L85-K87 PolarHBondContact O-N 2.9Å; L85-L159 HydrophobicContact CB-CD2 3.68Å; L85-L159 HydrophobicContact CD1-CD2 3.97Å; L85-L159 HydrophobicContact CD1-CG 4.4Å; L85-L163 HydrophobicContact CD1-CD1 4.36Å
86I98.3Very high97.4Very high20 Ų2030.6 Ų30.610%0.10319%0.191CC..EExtended strand (participates in β ladder)trans-76.3109174.3-52.6-58.7000108.6V56 V58 V77 L78 A81 V89 W158 L159V56-I86 HydrophobicContact CG2-CD1 3.47Å; V56-I86 VanDerWaalsContact CG2-CD1 3.47Å; V58-I86 HydrophobicContact CG2-CD1 4.08Å; V77-I86 HydrophobicContact CG1-CD1 4.26Å; L78-I86 HydrophobicContact CD2-CG2 3.94Å; A81-I86 HydrophobicContact CB-CD1 3.81Å; A81-I86 HydrophobicContact CB-CG1 3.59Å; I86-V89 HydrophobicContact CG2-CG2 3.96Å; I86-W158 HydrophobicContact CD1-CZ2 4.44Å; I86-L159 HydrophobicContact CD1-CD2 3.72Å
87K98.3Very high97.2Very high101 Ų10134.5 Ų34.544%0.43922%0.218SC..EExtended strand (participates in β ladder)trans-80.7-43.9174.3-170.8171.6-176.7174.30111V56 L85 T141V56-K87 WeakPolarHBondContact O-CB 3.47Å; V56-K87 PolarHBondContact O-N 2.71Å; L85-K87 PolarHBondContact O-N 2.9Å; K87-T141 WeakPolarHBondContact CE-OG1 3.49Å; K87-T141 PolarHBondContact NZ-O 3.3Å
88E98.5Very high97.1Very high14 Ų1436.4 Ų36.47%0.06523%0.225CC..EExtended strand (participates in β ladder)trans-159.1156.7177.562.8-170.3139.700111.8V56 S57 V58 I90 I117 R119 T141V56-E88 PolarHBondContact O-N 2.99Å; S57-E88 WeakPolarHBondContact CA-O 3.2Å; S57-E88 VanDerWaalsContact OG-CG 3.3Å; S57-E88 WeakPolarHBondContact OG-CG 3.4Å; S57-E88 PolarHBondContact OG-OE1 2.93Å; V58-E88 PolarHBondContact N-O 2.78Å; E88-I90 HydrophobicContact CG-CD1 4.17Å; E88-I90 HydrophobicContact CG-CG1 4Å; E88-I117 CarbonylContact C-O 3.57Å; E88-I117 VanDerWaalsContact CA-O 3.31Å; E88-I117 WeakPolarHBondContact CA-O 3.38Å; E88-R119 IonicContact OE2-CZ 3.44Å; E88-R119 IonicContact OE2-NE 3.13Å; E88-R119 PolarHBondContact OE2-NE 3.4Å; E88-R119 VanDerWaalsContact OE2-NE 3.13Å; E88-R119 IonicContact OE2-NH2 2.81Å; E88-R119 PolarHBondContact OE2-NH2 3.38Å; E88-T141 WeakPolarHBondContact OE1-CB 3.5Å; E88-T141 PolarHBondContact OE1-N 2.85Å; E88-T141 PolarHBondContact OE1-OG1 3.49Å
89V98.8Very high97.1Very high0 Ų043.8 Ų43.80%026%0.256CS..EExtended strand (participates in β ladder)trans-117.4119.1166.3-177.50000107.6V58 I60 V77 L78 I86 L91 I117 V118 R119V58-V89 HydrophobicContact CB-CG1 4.44Å; V58-V89 HydrophobicContact CB-CG2 4.27Å; V58-V89 CarbonylContact O-C 3.48Å; V58-V89 WeakPolarHBondContact O-CA 3.4Å; I60-V89 HydrophobicContact CD1-CG1 3.75Å; I60-V89 HydrophobicContact CG1-CG1 4.4Å; V77-V89 HydrophobicContact CG1-CG2 4.09Å; L78-V89 HydrophobicContact CD2-CG2 3.92Å; L78-V89 HydrophobicContact CG-CG2 4.44Å; I86-V89 HydrophobicContact CG2-CG2 3.96Å; V89-L91 HydrophobicContact CG1-CD2 4.23Å; V89-I117 PolarHBondContact N-O 3.11Å; V89-V118 HydrophobicContact CB-CB 4.47Å; V89-V118 HydrophobicContact CB-CG1 4.18Å; V89-V118 HydrophobicContact CB-CG2 4.14Å; V89-V118 HydrophobicContact CG1-CG1 4.3Å; V89-V118 HydrophobicContact CG2-CG2 4.46Å; V89-V118 WeakPolarHBondContact O-CA 3.47Å; V89-R119 PolarHBondContact O-N 3.24Å
90I98.9Very high97.1Very high0 Ų041.2 Ų41.20%024%0.238CC..EExtended strand (participates in β ladder)trans-108106.3-178-54.6172.3000108V58 I59 I60 E88 V92 R119 I121 E139 A140V58-I90 PolarHBondContact O-N 2.86Å; I59-I90 WeakPolarHBondContact CA-O 3.47Å; I60-I90 PolarHBondContact N-O 2.96Å; E88-I90 HydrophobicContact CG-CD1 4.17Å; E88-I90 HydrophobicContact CG-CG1 4Å; I90-V92 HydrophobicContact CG2-CG2 4Å; I90-R119 VanDerWaalsContact CD1-NH2 3.29Å; I90-I121 HydrophobicContact CG2-CD1 3.39Å; I90-I121 HydrophobicContact CG2-CG1 4.1Å; I90-E139 HydrophobicContact CD1-CB 4.46Å; I90-A140 HydrophobicContact CD1-CB 3.84Å
91L98.9Very high97.1Very high0 Ų039.2 Ų39.20%023%0.23CC..EExtended strand (participates in β ladder)trans-78.6132.9167.7-52.5-173.2000108.7I60 F62 L70 V74 V89 L105 L109 V118 R119 V120 I121I60-L91 HydrophobicContact CB-CD2 3.73Å; I60-L91 HydrophobicContact CD1-CD2 3.89Å; I60-L91 HydrophobicContact CG1-CD2 4.26Å; I60-L91 HydrophobicContact CG2-CD2 4.21Å; I60-L91 WeakPolarHBondContact O-CA 3.45Å; F62-L91 HydrophobicContact CD1-CB 4.21Å; F62-L91 HydrophobicContact CE1-CB 3.82Å; L70-L91 HydrophobicContact CD1-CD1 4.36Å; L70-L91 HydrophobicContact CD1-CD2 4.22Å; L70-L91 HydrophobicContact CD2-CD1 4.43Å; L70-L91 HydrophobicContact CG-CD1 4.47Å; V74-L91 HydrophobicContact CG2-CD1 4.3Å; V74-L91 HydrophobicContact CG2-CD2 3.75Å; V89-L91 HydrophobicContact CG1-CD2 4.23Å; L91-L105 HydrophobicContact CD1-CD1 4.42Å; L91-L105 HydrophobicContact CD1-CD2 4.44Å; L91-L109 HydrophobicContact CD1-CD1 4.02Å; L91-L109 HydrophobicContact CD1-CD2 4.43Å; L91-V118 HydrophobicContact CD1-CG1 4.43Å; L91-V118 HydrophobicContact CG-CG1 4.3Å; L91-R119 PolarHBondContact N-O 2.86Å; L91-V120 HydrophobicContact CB-CB 4.11Å; L91-V120 HydrophobicContact CB-CG2 4.06Å; L91-V120 CarbonylContact O-C 3.55Å; L91-V120 VanDerWaalsContact O-CA 3.3Å; L91-V120 WeakPolarHBondContact O-CA 3.31Å; L91-I121 PolarHBondContact O-N 3.38Å
92V98.8Very high97.2Very high0 Ų041 Ų410%024%0.235CC..EExtended strand (participates in β ladder)trans-120.3104.4177.9-170.20000109.2I59 I60 P61 F62 I90 D94 I121 L123 A132 A135I59-V92 HydrophobicContact CG2-CG2 4.1Å; I60-V92 PolarHBondContact O-N 3.35Å; P61-V92 CarbonylContact C-O 3.46Å; P61-V92 WeakPolarHBondContact CA-O 3.27Å; F62-V92 WeakPolarHBondContact CD1-O 3.06Å; F62-V92 PolarHBondContact N-O 2.91Å; I90-V92 HydrophobicContact CG2-CG2 4Å; V92-D94 PolarHBondContact O-N 3.48Å; V92-I121 HydrophobicContact CG2-CD1 4.49Å; V92-L123 HydrophobicContact CG1-CD1 4.12Å; V92-L123 HydrophobicContact CG1-CG 4.12Å; V92-A132 HydrophobicContact CB-CB 4.35Å; V92-A132 HydrophobicContact CG1-CB 3.89Å; V92-A135 HydrophobicContact CG1-CB 4.36Å
93D98.7Very high97.3Very high0 Ų044.5 Ų44.50%025%0.251CS..EExtended strand (participates in β ladder)trans-77.7109.4175.8-179.214.3000109.9F62 G95 S96 K102 V120 I121 H122 L123F62-D93 HydrophobicContact CE1-CB 3.74Å; F62-D93 HydrophobicContact CE2-CB 3.74Å; F62-D93 HydrophobicContact CZ-CB 3.31Å; D93-G95 PolarHBondContact O-N 3.1Å; D93-G95 PolarHBondContact OD1-N 2.86Å; D93-S96 WeakPolarHBondContact OD1-CA 3.2Å; D93-S96 WeakPolarHBondContact OD1-CB 3.49Å; D93-S96 PolarHBondContact OD1-N 2.83Å; D93-S96 PolarHBondContact OD1-OG 2.84Å; D93-K102 IonicContact OD2-NZ 3.91Å; D93-K102 PolarHBondContact OD2-NZ 3.2Å; D93-V120 HydrophobicContact CB-CG2 4.48Å; D93-I121 PolarHBondContact N-O 3.02Å; D93-H122 VanDerWaalsContact CB-ND1 3.34Å; D93-H122 WeakPolarHBondContact CB-ND1 3.29Å; D93-H122 IonicContact OD2-CE1 3.91Å; D93-H122 IonicContact OD2-CG 2.69Å; D93-H122 IonicContact OD2-ND1 2.7Å; D93-H122 PolarHBondContact OD2-ND1 2.85Å; D93-L123 WeakPolarHBondContact O-CB 3.4Å; D93-L123 WeakPolarHBondContact O-CG 3.4Å; D93-L123 PolarHBondContact O-N 2.95Å
94D97.8Very high97.5Very high7 Ų745.4 Ų45.44%0.03724%0.235CC..  trans-79.646.8179.2-172.838.7000112.1F62 F63 V92 R126 G127 G128 A132F62-D94 PolarHBondContact O-N 2.99Å; F63-D94 HydrophobicContact CB-CB 4.32Å; F63-D94 WeakPolarHBondContact CD2-O 3.38Å; V92-D94 PolarHBondContact O-N 3.48Å; D94-R126 VanDerWaalsContact O-CA 3.27Å; D94-R126 WeakPolarHBondContact O-CA 3.25Å; D94-R126 WeakPolarHBondContact O-CB 3.27Å; D94-R126 WeakPolarHBondContact O-CG 3.33Å; D94-R126 WeakPolarHBondContact OD2-CG 3.26Å; D94-G127 PolarHBondContact OD1-N 2.88Å; D94-G128 VanDerWaalsContact CG-N 3.29Å; D94-G128 PolarHBondContact OD1-N 2.8Å; D94-G128 VanDerWaalsContact OD2-C 3.25Å; D94-G128 WeakPolarHBondContact OD2-CA 3.3Å; D94-G128 PolarHBondContact OD2-N 3.49Å; D94-A132 HydrophobicContact CB-CB 4.08Å
95G96.6Very high97.7Very high20 Ų2042.2 Ų42.221%0.20620%0.202CC..SBendtrans75.537.8176.800000114.6D93D93-G95 PolarHBondContact O-N 3.1Å; D93-G95 PolarHBondContact OD1-N 2.86Å
96S97.5Very high97.8Very high3 Ų344 Ų442%0.02121%0.212CC..  trans-58.2145176.1-55.90000112F63 E64 D93 K102F63-S96 WeakPolarHBondContact CA-OG 3.42Å; E64-S96 PolarHBondContact N-OG 3.29Å; D93-S96 WeakPolarHBondContact OD1-CA 3.2Å; D93-S96 WeakPolarHBondContact OD1-CB 3.49Å; D93-S96 PolarHBondContact OD1-N 2.83Å; D93-S96 PolarHBondContact OD1-OG 2.84Å; S96-K102 WeakPolarHBondContact O-CE 3.49Å; S96-K102 PolarHBondContact O-NZ 3.27Å
97S95.6Very high97.7Very high84 Ų8446.6 Ų46.659%0.58723%0.231SC*.  trans-93.9-19.5177.1700000113.5E64 K99E64-S97 WeakPolarHBondContact OE1-CA 3.37Å; E64-S97 WeakPolarHBondContact OE1-CB 3.47Å; E64-S97 PolarHBondContact OE1-N 2.84Å; E64-S97 PolarHBondContact OE1-OG 3.46Å; S97-K99 PolarHBondContact O-N 2.93Å
98R95.9Very high97.7Very high41 Ų4144.7 Ų44.716%0.15522%0.224CC..  trans-65.4118.5-179.8-60-178.7-173.6-167.7-0.1111.2E19 N20 E64 Y100 L101E19-R98 PolarHBondContact O-NH2 3.16Å; N20-R98 PolarHBondContact OD1-NH1 3.41Å; N20-R98 PolarHBondContact OD1-NH2 3.29Å; E64-R98 PolarHBondContact O-NE 3.45Å; E64-R98 PolarHBondContact O-NH1 2.79Å; E64-R98 VanDerWaalsContact O-NH1 3.16Å; E64-R98 PolarHBondContact O-NH2 3.42Å; E64-R98 PolarHBondContact OE1-N 2.89Å; E64-R98 WeakPolarHBondContact OE2-CD 3.5Å; E64-R98 WeakPolarHBondContact OE2-CG 3.44Å; E64-R98 IonicContact OE2-CZ 3.79Å; E64-R98 IonicContact OE2-NE 3.65Å; E64-R98 PolarHBondContact OE2-NE 2.84Å; E64-R98 IonicContact OE2-NH2 2.69Å; R98-Y100 HydrophobicContact CB-CD1 4.09Å; R98-Y100 HydrophobicContact CB-CE1 3.78Å; R98-Y100 WeakPolarHBondContact CD-OH 3.31Å; R98-Y100 HydrophobicContact CG-CE1 4.16Å; R98-Y100 PolarHBondContact NH1-OH 3.01Å; R98-Y100 PolarHBondContact O-N 3.37Å; R98-Y100 VanDerWaalsContact O-N 3.13Å; R98-L101 HydrophobicContact CB-CD1 4.06Å; R98-L101 HydrophobicContact CB-CG 4.26Å; R98-L101 WeakPolarHBondContact O-CB 3.44Å; R98-L101 PolarHBondContact O-N 3.09Å
99K96.5Very high97.7Very high189 Ų18944.3 Ų44.382%0.82222%0.223SC*.G310 helixtrans-54.6-35-177.7-66.2-176.7178.1-176.70114.1S97 L101 K102S97-K99 PolarHBondContact O-N 2.93Å; K99-L101 PolarHBondContact O-N 2.76Å; K99-K102 PolarHBondContact O-N 3.24Å
100Y96.8Very high97.6Very high57 Ų5747.5 Ų47.522%0.22425%0.249CC..G310 helixtrans-69.1-16.1-179.268.6-108.4000113.3E65 W67 R98 K102 L105E65-Y100 WeakPolarHBondContact O-CE2 3.35Å; E65-Y100 PolarHBondContact O-OH 2.88Å; W67-Y100 HydrophobicContact CB-CD2 4.3Å; W67-Y100 HydrophobicContact CB-CE2 4.07Å; W67-Y100 AromaticContact CE3-CD2 3.78Å; W67-Y100 HydrophobicContact CE3-CD2 3.78Å; W67-Y100 HydrophobicContact CE3-CE2 4.45Å; W67-Y100 VanDerWaalsContact CZ3-O 3.29Å; W67-Y100 WeakPolarHBondContact CZ3-O 3.37Å; R98-Y100 HydrophobicContact CB-CD1 4.09Å; R98-Y100 HydrophobicContact CB-CE1 3.78Å; R98-Y100 WeakPolarHBondContact CD-OH 3.31Å; R98-Y100 HydrophobicContact CG-CE1 4.16Å; R98-Y100 PolarHBondContact NH1-OH 3.01Å; R98-Y100 PolarHBondContact O-N 3.37Å; R98-Y100 VanDerWaalsContact O-N 3.13Å; Y100-K102 VanDerWaalsContact C-N 3.32Å; Y100-L105 PolarHBondContact O-N 2.84Å
101L98.1Very high97.6Very high0 Ų053 Ų530%028%0.282CS..G310 helixtrans-88.72.9176.4-65.9174.9000113.2F62 L70 R98 K99 H122F62-L101 HydrophobicContact CD2-CD1 4.2Å; F62-L101 HydrophobicContact CD2-CD2 4.41Å; F62-L101 HydrophobicContact CE2-CB 4.06Å; F62-L101 HydrophobicContact CE2-CD1 3.97Å; F62-L101 HydrophobicContact CE2-CD2 3.94Å; F62-L101 HydrophobicContact CE2-CG 4.2Å; L70-L101 HydrophobicContact CD2-CD2 4Å; R98-L101 HydrophobicContact CB-CD1 4.06Å; R98-L101 HydrophobicContact CB-CG 4.26Å; R98-L101 WeakPolarHBondContact O-CB 3.44Å; R98-L101 PolarHBondContact O-N 3.09Å; K99-L101 PolarHBondContact O-N 2.76Å; L101-H122 PolarHBondContact O-CE1 3.01Å
102K97.9Very high97.5Very high56 Ų5655.2 Ų55.224%0.24330%0.301CS..THydrogen-bonded Turntrans-104.5-123177.5-54.4-59-173.6-178.10109.6D93 S96 K99 Y100 R104 L105 D106D93-K102 IonicContact OD2-NZ 3.91Å; D93-K102 PolarHBondContact OD2-NZ 3.2Å; S96-K102 WeakPolarHBondContact O-CE 3.49Å; S96-K102 PolarHBondContact O-NZ 3.27Å; K99-K102 PolarHBondContact O-N 3.24Å; Y100-K102 VanDerWaalsContact C-N 3.32Å; K102-R104 PolarHBondContact O-N 2.77Å; K102-L105 WeakPolarHBondContact O-CA 3.44Å; K102-L105 WeakPolarHBondContact O-CB 3.45Å; K102-L105 PolarHBondContact O-N 3.34Å; K102-D106 PolarHBondContact O-N 3.32Å; K102-D106 VanDerWaalsContact O-N 3.15Å
103D97Very high97.4Very high125 Ų12557.5 Ų57.567%0.66831%0.31SS*.Hα-helixtrans-47.2-34.9-176.5-49.1-14.9000115.1S107D103-S107 VanDerWaalsContact O-CB 3.3Å; D103-S107 WeakPolarHBondContact O-CB 3.3Å; D103-S107 PolarHBondContact O-N 2.83Å; D103-S107 PolarHBondContact O-OG 3.31Å
104R97.9Very high97.2Very high146 Ų14662.9 Ų62.955%0.55135%0.345SS*.Hα-helixtrans-67.7-40.5176.4-179-179.2174.2-173-2.8111.9W67 K102 H108W67-R104 HydrophobicContact CH2-CG 3.84Å; W67-R104 HydrophobicContact CZ3-CG 4.11Å; K102-R104 PolarHBondContact O-N 2.77Å; R104-H108 WeakPolarHBondContact O-CB 3.13Å; R104-H108 PolarHBondContact O-N 3.23Å
105L98.4Very high97.1Very high0 Ų066.2 Ų66.20%038%0.381CS..Hα-helixtrans-64.6-48174.5-178.960.1000109.7F62 W67 L70 L71 L91 Y100 K102 S107 H108 L109 V120F62-L105 HydrophobicContact CE1-CD2 4.26Å; F62-L105 HydrophobicContact CE2-CD2 4.48Å; F62-L105 HydrophobicContact CZ-CD2 3.66Å; W67-L105 HydrophobicContact CH2-CD1 4.49Å; W67-L105 HydrophobicContact CZ3-CB 4.14Å; W67-L105 HydrophobicContact CZ3-CD1 4.16Å; L70-L105 HydrophobicContact CD2-CD1 4.34Å; L70-L105 HydrophobicContact CD2-CD2 4.19Å; L71-L105 HydrophobicContact CD2-CD1 4.45Å; L91-L105 HydrophobicContact CD1-CD1 4.42Å; L91-L105 HydrophobicContact CD1-CD2 4.44Å; Y100-L105 PolarHBondContact O-N 2.84Å; K102-L105 WeakPolarHBondContact O-CA 3.44Å; K102-L105 WeakPolarHBondContact O-CB 3.45Å; K102-L105 PolarHBondContact O-N 3.34Å; L105-S107 PolarHBondContact O-N 2.95Å; L105-H108 WeakPolarHBondContact O-CB 3.3Å; L105-H108 PolarHBondContact O-N 3.02Å; L105-H108 VanDerWaalsContact O-N 3.13Å; L105-L109 HydrophobicContact CD1-CD1 4.15Å; L105-L109 HydrophobicContact CD1-CD2 4.32Å; L105-L109 HydrophobicContact CD1-CG 4.03Å; L105-L109 HydrophobicContact CG-CD1 4.07Å; L105-L109 HydrophobicContact CG-CG 4.32Å; L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 3.27Å; L105-V120 HydrophobicContact CD2-CB 4.5Å; L105-V120 HydrophobicContact CD2-CG2 4.08Å
106D97.9Very high97Very high62 Ų6267.2 Ų67.233%0.33239%0.391SS..Hα-helixtrans-56.3-50.4179.3-65.610.6000111.4K102 H108 L109 A110 V120 H122K102-D106 PolarHBondContact O-N 3.32Å; K102-D106 VanDerWaalsContact O-N 3.15Å; D106-H108 VanDerWaalsContact C-N 3.32Å; D106-H108 PolarHBondContact O-N 3.5Å; D106-L109 PolarHBondContact O-N 3.43Å; D106-A110 WeakPolarHBondContact O-CB 3.36Å; D106-A110 PolarHBondContact O-N 3.35Å; D106-V120 WeakPolarHBondContact OD1-CG1 3.5Å; D106-H122 IonicContact OD1-CD2 2.68Å; D106-H122 IonicContact OD1-CE1 2.81Å; D106-H122 IonicContact OD1-NE2 2.87Å; D106-H122 PolarHBondContact OD1-NE2 2.94Å; D106-H122 IonicContact OD2-NE2 3.18Å
107S97.9Very high97Very high73 Ų7370.1 Ų70.151%0.5141%0.406SS..Hα-helixtrans-62.5-40.2178.5-58.80000111.9D103 L105 T111D103-S107 VanDerWaalsContact O-CB 3.3Å; D103-S107 WeakPolarHBondContact O-CB 3.3Å; D103-S107 PolarHBondContact O-N 2.83Å; D103-S107 PolarHBondContact O-OG 3.31Å; L105-S107 PolarHBondContact O-N 2.95Å; S107-T111 WeakPolarHBondContact O-CB 3.34Å; S107-T111 PolarHBondContact O-N 2.84Å; S107-T111 VanDerWaalsContact O-N 3.09Å; S107-T111 PolarHBondContact O-OG1 3.49Å
108H98.1Very high97.2Very high62 Ų6266.3 Ų66.329%0.28738%0.379SS..Hα-helixtrans-63.8-46.6176.3177.773.9000111.4W67 L71 R104 L105 D106 T111 A112W67-H108 HydrophobicContact CH2-CB 3.76Å; W67-H108 AromaticContact CH2-CG 3.98Å; W67-H108 HydrophobicContact CZ2-CB 4.12Å; W67-H108 AromaticContact CZ2-CG 3.88Å; L71-H108 WeakPolarHBondContact CD1-NE2 3.4Å; R104-H108 WeakPolarHBondContact O-CB 3.13Å; R104-H108 PolarHBondContact O-N 3.23Å; L105-H108 WeakPolarHBondContact O-CB 3.3Å; L105-H108 PolarHBondContact O-N 3.02Å; L105-H108 VanDerWaalsContact O-N 3.13Å; D106-H108 VanDerWaalsContact C-N 3.32Å; D106-H108 PolarHBondContact O-N 3.5Å; H108-T111 PolarHBondContact O-N 3.36Å; H108-A112 VanDerWaalsContact O-CB 3.22Å; H108-A112 WeakPolarHBondContact O-CB 3.41Å; H108-A112 PolarHBondContact O-N 3.12Å
109L98.1Very high97.3Very high6 Ų667.7 Ų67.73%0.03138%0.384CS..Hα-helixtrans-66.4-42.5180-64.4179.8000111.8L91 L105 D106 T111 A112 Y113 V118 V120L91-L109 HydrophobicContact CD1-CD1 4.02Å; L91-L109 HydrophobicContact CD1-CD2 4.43Å; L105-L109 HydrophobicContact CD1-CD1 4.15Å; L105-L109 HydrophobicContact CD1-CD2 4.32Å; L105-L109 HydrophobicContact CD1-CG 4.03Å; L105-L109 HydrophobicContact CG-CD1 4.07Å; L105-L109 HydrophobicContact CG-CG 4.32Å; L105-L109 WeakPolarHBondContact O-CG 3.49Å; L105-L109 PolarHBondContact O-N 3.27Å; D106-L109 PolarHBondContact O-N 3.43Å; L109-T111 VanDerWaalsContact C-N 3.25Å; L109-T111 PolarHBondContact O-N 2.89Å; L109-A112 PolarHBondContact O-N 2.93Å; L109-Y113 HydrophobicContact CD2-CD2 3.84Å; L109-Y113 HydrophobicContact CD2-CE2 3.9Å; L109-Y113 CarbonylContact O-C 3.52Å; L109-Y113 WeakPolarHBondContact O-CA 3.39Å; L109-Y113 WeakPolarHBondContact O-CB 3.48Å; L109-Y113 PolarHBondContact O-N 3.49Å; L109-V118 HydrophobicContact CD1-CG1 4.42Å; L109-V118 HydrophobicContact CD2-CB 4.32Å; L109-V118 HydrophobicContact CD2-CG1 3.76Å; L109-V120 HydrophobicContact CD1-CB 3.91Å; L109-V120 HydrophobicContact CD1-CG1 3.94Å
110A97.4Very high97.4Very high66 Ų6660 Ų6055%0.54535%0.353SS..Hα-helixtrans-60.9-35.9175.900000112.4D106 P114D106-A110 WeakPolarHBondContact O-CB 3.36Å; D106-A110 PolarHBondContact O-N 3.35Å; A110-P114 WeakPolarHBondContact O-CA 3.3Å
111T97.8Very high97.4Very high116 Ų11659 Ų5971%0.71235%0.351SS*.Hα-helixtrans-78.3-45.4178.7-55.20000112.1S107 H108 L109S107-T111 WeakPolarHBondContact O-CB 3.34Å; S107-T111 PolarHBondContact O-N 2.84Å; S107-T111 VanDerWaalsContact O-N 3.09Å; S107-T111 PolarHBondContact O-OG1 3.49Å; H108-T111 PolarHBondContact O-N 3.36Å; L109-T111 VanDerWaalsContact C-N 3.25Å; L109-T111 PolarHBondContact O-N 2.89Å
112A97.1Very high97.5Very high47 Ų4762.1 Ų62.139%0.38837%0.366SS..Hα-helixtrans-77.8-29.3-175.600000112.8H108 L109H108-A112 VanDerWaalsContact O-CB 3.22Å; H108-A112 WeakPolarHBondContact O-CB 3.41Å; H108-A112 PolarHBondContact O-N 3.12Å; L109-A112 PolarHBondContact O-N 2.93Å
113Y96.7Very high97.4Very high47 Ų4761.3 Ų61.318%0.18436%0.364CS..  trans-132.361.6-174.9-52.7-69.4000111.1V74 L78 L109 G115 G116 I117 V118V74-Y113 HydrophobicContact CG1-CE2 4.17Å; L78-Y113 HydrophobicContact CD1-CD1 4.18Å; L78-Y113 HydrophobicContact CD1-CE1 3.44Å; L78-Y113 VanDerWaalsContact CD1-CE1 3.44Å; L109-Y113 HydrophobicContact CD2-CD2 3.84Å; L109-Y113 HydrophobicContact CD2-CE2 3.9Å; L109-Y113 CarbonylContact O-C 3.52Å; L109-Y113 WeakPolarHBondContact O-CA 3.39Å; L109-Y113 WeakPolarHBondContact O-CB 3.48Å; L109-Y113 PolarHBondContact O-N 3.49Å; Y113-G115 PolarHBondContact O-N 2.83Å; Y113-G116 PolarHBondContact O-N 3.49Å; Y113-I117 HydrophobicContact CD1-CG2 4.03Å; Y113-I117 HydrophobicContact CG-CG2 4.38Å; Y113-V118 HydrophobicContact CD1-CB 4.47Å; Y113-V118 HydrophobicContact CD1-CG2 3.76Å; Y113-V118 HydrophobicContact CD2-CB 3.56Å; Y113-V118 HydrophobicContact CD2-CG1 4.31Å; Y113-V118 HydrophobicContact CD2-CG2 3.61Å; Y113-V118 HydrophobicContact CE1-CG2 3.91Å; Y113-V118 HydrophobicContact CE2-CB 4.02Å; Y113-V118 HydrophobicContact CE2-CG1 4.42Å; Y113-V118 HydrophobicContact CE2-CG2 3.75Å; Y113-V118 HydrophobicContact CG-CB 3.82Å; Y113-V118 HydrophobicContact CG-CG2 3.6Å
114P95Very high97.3Very high114 Ų11463.4 Ų63.474%0.7437%0.37SS*.THydrogen-bonded Turntrans-61.3-18.8-17224.9-35.6000114.5A110 G116A110-P114 WeakPolarHBondContact O-CA 3.3Å; P114-G116 VanDerWaalsContact C-N 3.27Å; P114-G116 PolarHBondContact O-N 3.27Å
115G94.2Very high97.1Very high77 Ų7762.9 Ų62.979%0.79437%0.373SS*.THydrogen-bonded Turntrans-80-0.3172.800000114.9Y113 I117Y113-G115 PolarHBondContact O-N 2.83Å; G115-I117 VanDerWaalsContact C-N 3.26Å; G115-I117 PolarHBondContact O-N 3Å
116G96.1Very high96.8Very high41 Ų4166.3 Ų66.342%0.42339%0.386SS..SBendtrans72.813.5179.600000114.8Y113 P114 V118Y113-G116 PolarHBondContact O-N 3.49Å; P114-G116 VanDerWaalsContact C-N 3.27Å; P114-G116 PolarHBondContact O-N 3.27Å; G116-V118 PolarHBondContact O-N 2.87Å
117I97.5Very high96.5Very high64 Ų6463.8 Ų63.833%0.32838%0.375SS..SBendtrans-61.1-28.4177.3-168.3172.2000111.8L78 E88 V89 Y113 G115L78-I117 HydrophobicContact CD2-CD1 4.25Å; E88-I117 CarbonylContact C-O 3.57Å; E88-I117 VanDerWaalsContact CA-O 3.31Å; E88-I117 WeakPolarHBondContact CA-O 3.38Å; V89-I117 PolarHBondContact N-O 3.11Å; Y113-I117 HydrophobicContact CD1-CG2 4.03Å; Y113-I117 HydrophobicContact CG-CG2 4.38Å; G115-I117 VanDerWaalsContact C-N 3.26Å; G115-I117 PolarHBondContact O-N 3Å
118V98.5Very high96.3Very high4 Ų460.4 Ų60.42%0.02435%0.351CS..EExtended strand (participates in β ladder)trans-115.8128.2167.7-169.60000108.3V74 L78 V89 L91 L109 Y113 G116V74-V118 HydrophobicContact CG1-CG1 3.99Å; V74-V118 HydrophobicContact CG1-CG2 3.77Å; L78-V118 HydrophobicContact CD1-CG2 3.75Å; V89-V118 HydrophobicContact CB-CB 4.47Å; V89-V118 HydrophobicContact CB-CG1 4.18Å; V89-V118 HydrophobicContact CB-CG2 4.14Å; V89-V118 HydrophobicContact CG1-CG1 4.3Å; V89-V118 HydrophobicContact CG2-CG2 4.46Å; V89-V118 WeakPolarHBondContact O-CA 3.47Å; L91-V118 HydrophobicContact CD1-CG1 4.43Å; L91-V118 HydrophobicContact CG-CG1 4.3Å; L109-V118 HydrophobicContact CD1-CG1 4.42Å; L109-V118 HydrophobicContact CD2-CB 4.32Å; L109-V118 HydrophobicContact CD2-CG1 3.76Å; Y113-V118 HydrophobicContact CD1-CB 4.47Å; Y113-V118 HydrophobicContact CD1-CG2 3.76Å; Y113-V118 HydrophobicContact CD2-CB 3.56Å; Y113-V118 HydrophobicContact CD2-CG1 4.31Å; Y113-V118 HydrophobicContact CD2-CG2 3.61Å; Y113-V118 HydrophobicContact CE1-CG2 3.91Å; Y113-V118 HydrophobicContact CE2-CB 4.02Å; Y113-V118 HydrophobicContact CE2-CG1 4.42Å; Y113-V118 HydrophobicContact CE2-CG2 3.75Å; Y113-V118 HydrophobicContact CG-CB 3.82Å; Y113-V118 HydrophobicContact CG-CG2 3.6Å; G116-V118 PolarHBondContact O-N 2.87Å
119R97.9Very high96.2Very high69 Ų6959.2 Ų59.226%0.2635%0.347SS..EExtended strand (participates in β ladder)trans-139.1163.1176.464.9-177.5175.9103.6-4.9110.8E88 V89 I90 L91 E139E88-R119 IonicContact OE2-CZ 3.44Å; E88-R119 IonicContact OE2-NE 3.13Å; E88-R119 PolarHBondContact OE2-NE 3.4Å; E88-R119 VanDerWaalsContact OE2-NE 3.13Å; E88-R119 IonicContact OE2-NH2 2.81Å; E88-R119 PolarHBondContact OE2-NH2 3.38Å; V89-R119 PolarHBondContact O-N 3.24Å; I90-R119 VanDerWaalsContact CD1-NH2 3.29Å; L91-R119 PolarHBondContact N-O 2.86Å; R119-E139 PolarHBondContact NH2-O 2.88Å
120V98.6Very high96.2Very high29 Ų2959 Ų5918%0.17635%0.346CS..EExtended strand (participates in β ladder)trans-120.9143.517861.10000110.7F62 L91 D93 L105 D106 L109 H122F62-V120 HydrophobicContact CE1-CG2 4.07Å; F62-V120 HydrophobicContact CZ-CG2 4.21Å; L91-V120 HydrophobicContact CB-CB 4.11Å; L91-V120 HydrophobicContact CB-CG2 4.06Å; L91-V120 CarbonylContact O-C 3.55Å; L91-V120 VanDerWaalsContact O-CA 3.3Å; L91-V120 WeakPolarHBondContact O-CA 3.31Å; D93-V120 HydrophobicContact CB-CG2 4.48Å; L105-V120 HydrophobicContact CD2-CB 4.5Å; L105-V120 HydrophobicContact CD2-CG2 4.08Å; D106-V120 WeakPolarHBondContact OD1-CG1 3.5Å; L109-V120 HydrophobicContact CD1-CB 3.91Å; L109-V120 HydrophobicContact CD1-CG1 3.94Å; V120-H122 WeakPolarHBondContact CG1-NE2 3.43Å
121I98.3Very high96.1Very high35 Ų3560.9 Ų60.918%0.17934%0.338CS..EExtended strand (participates in β ladder)trans-114.6123169.5-59.1161.3000106.9I90 L91 V92 D93 L123 E139I90-I121 HydrophobicContact CG2-CD1 3.39Å; I90-I121 HydrophobicContact CG2-CG1 4.1Å; L91-I121 PolarHBondContact O-N 3.38Å; V92-I121 HydrophobicContact CG2-CD1 4.49Å; D93-I121 PolarHBondContact N-O 3.02Å; I121-L123 HydrophobicContact CG2-CD2 4.32Å; I121-E139 HydrophobicContact CD1-CB 3.76Å; I121-E139 HydrophobicContact CD1-CG 3.55Å
122H98.4Very high96.1Very high66 Ų6655.3 Ų55.331%0.30631%0.305SS..EExtended strand (participates in β ladder)trans-95.2113.5174.1-64-70.6000111.1D93 L101 D106 V120D93-H122 VanDerWaalsContact CB-ND1 3.34Å; D93-H122 WeakPolarHBondContact CB-ND1 3.29Å; D93-H122 IonicContact OD2-CE1 3.91Å; D93-H122 IonicContact OD2-CG 2.69Å; D93-H122 IonicContact OD2-ND1 2.7Å; D93-H122 PolarHBondContact OD2-ND1 2.85Å; L101-H122 PolarHBondContact O-CE1 3.01Å; D106-H122 IonicContact OD1-CD2 2.68Å; D106-H122 IonicContact OD1-CE1 2.81Å; D106-H122 IonicContact OD1-NE2 2.87Å; D106-H122 PolarHBondContact OD1-NE2 2.94Å; D106-H122 IonicContact OD2-NE2 3.18Å; V120-H122 WeakPolarHBondContact CG1-NE2 3.43Å
123L97.6Very high96.2Very high38 Ų3853.1 Ų53.120%0.19929%0.286CS..  trans-76.1136.7168.7-56.3-174.4000109.4V92 D93 I121 H125 A132 A135V92-L123 HydrophobicContact CG1-CD1 4.12Å; V92-L123 HydrophobicContact CG1-CG 4.12Å; D93-L123 WeakPolarHBondContact O-CB 3.4Å; D93-L123 WeakPolarHBondContact O-CG 3.4Å; D93-L123 PolarHBondContact O-N 2.95Å; I121-L123 HydrophobicContact CG2-CD2 4.32Å; L123-H125 VanDerWaalsContact C-N 3.28Å; L123-H125 PolarHBondContact O-N 2.8Å; L123-A132 HydrophobicContact CD1-CB 4.32Å; L123-A135 HydrophobicContact CD1-CB 4.48Å; L123-A135 HydrophobicContact CD2-CB 4.02Å
124E94.5Very high96.3Very high169 Ų16951.5 Ų51.579%0.7928%0.281SS*.SBendtrans-63.2-35.7-177.3-169.7-179.4-179.100112.4
125H92.3Very high96.4Very high135 Ų13547 Ų4763%0.62525%0.253SS*.SBendtrans-135.9154-178.1-55.5-43.9000110.7L123 G127L123-H125 VanDerWaalsContact C-N 3.28Å; L123-H125 PolarHBondContact O-N 2.8Å; H125-G127 PolarHBondContact O-N 2.92Å
126R93.3Very high96.6Very high73 Ų7343.3 Ų43.328%0.27522%0.215SC..  trans-66.1104.8175.4-171.9-173.5-174.7-176.95.5111.1F63 D94 P290 K291F63-R126 HydrophobicContact CD2-CG 4.25Å; F63-R126 HydrophobicContact CE2-CB 4.31Å; F63-R126 HydrophobicContact CE2-CG 4Å; F63-R126 HydrophobicContact CZ-CG 4.37Å; D94-R126 VanDerWaalsContact O-CA 3.27Å; D94-R126 WeakPolarHBondContact O-CA 3.25Å; D94-R126 WeakPolarHBondContact O-CB 3.27Å; D94-R126 WeakPolarHBondContact O-CG 3.33Å; D94-R126 WeakPolarHBondContact OD2-CG 3.26Å; R126-P290 PolarHBondContact NH1-O 2.79Å; R126-K291 PolarHBondContact NH1-O 3.3Å
127G91.4Very high96.7Very high9 Ų941.4 Ų41.49%0.09320%0.196CC..  trans-96.3-19.6177.700000113.6D94 H125 R131 I251D94-G127 PolarHBondContact OD1-N 2.88Å; H125-G127 PolarHBondContact O-N 2.92Å; G127-R131 WeakPolarHBondContact O-CD 3.48Å; G127-I251 PolarHBondContact O-N 3.4Å
128G94.7Very high96.8Very high1 Ų146.3 Ų46.31%0.0121%0.21CC..BIsolated β-bridgetrans106.6161.4-175.800000114.5D94 I130 R131 A132 I251D94-G128 VanDerWaalsContact CG-N 3.29Å; D94-G128 PolarHBondContact OD1-N 2.8Å; D94-G128 VanDerWaalsContact OD2-C 3.25Å; D94-G128 WeakPolarHBondContact OD2-CA 3.3Å; D94-G128 PolarHBondContact OD2-N 3.49Å; G128-I130 PolarHBondContact O-N 2.84Å; G128-I130 VanDerWaalsContact O-N 3.16Å; G128-R131 PolarHBondContact O-N 2.69Å; G128-R131 VanDerWaalsContact O-N 3.09Å; G128-A132 WeakPolarHBondContact O-CB 3.42Å; G128-A132 PolarHBondContact O-N 3.13Å; G128-I251 CarbonylContact C-O 3.29Å; G128-I251 WeakPolarHBondContact CA-O 3.34Å
129L96Very high96.8Very high37 Ų3751 Ų5119%0.19423%0.232CC..Hα-helixtrans-46.6-47173.6-178.567.8000112.1P61 R131 A132 K133 I251P61-L129 HydrophobicContact CB-CD1 3.94Å; P61-L129 HydrophobicContact CG-CD1 3.43Å; P61-L129 VanDerWaalsContact CG-CD1 3.43Å; L129-R131 PolarHBondContact O-N 3.37Å; L129-A132 PolarHBondContact O-N 2.88Å; L129-K133 HydrophobicContact CG-CD 4.38Å; L129-K133 WeakPolarHBondContact O-CB 3.46Å; L129-K133 WeakPolarHBondContact O-CG 3.43Å; L129-K133 PolarHBondContact O-N 3.49Å; L129-I251 WeakPolarHBondContact CB-O 3.45Å; L129-I251 PolarHBondContact N-O 3.24Å
130I96.6Very high96.8Very high2 Ų248.7 Ų48.71%0.0123%0.227CC..Hα-helixtrans-63.3-43.8-175.1-50.3174.1000111G128 T134 Y245 L249 E255G128-I130 PolarHBondContact O-N 2.84Å; G128-I130 VanDerWaalsContact O-N 3.16Å; I130-T134 PolarHBondContact O-N 3.43Å; I130-T134 VanDerWaalsContact O-N 3.09Å; I130-T134 PolarHBondContact O-OG1 3.02Å; I130-Y245 HydrophobicContact CG2-CD2 4.19Å; I130-Y245 HydrophobicContact CG2-CG 3.98Å; I130-L249 HydrophobicContact CD1-CB 3.59Å; I130-L249 HydrophobicContact CG2-CB 4.22Å; I130-E255 HydrophobicContact CD1-CB 3.87Å; I130-E255 HydrophobicContact CD1-CG 4.36Å; I130-E255 HydrophobicContact CG1-CB 3.87Å; I130-E255 HydrophobicContact CG1-CG 3.96Å; I130-E255 HydrophobicContact CG2-CB 4.19Å
131R96.3Very high96.8Very high105 Ų10551.1 Ų51.140%0.39624%0.242SC..Hα-helixtrans-73.7-38.3179.5-67.1-171.7179.4175-3.4111.4G127 G128 L129 T134 A135G127-R131 WeakPolarHBondContact O-CD 3.48Å; G128-R131 PolarHBondContact O-N 2.69Å; G128-R131 VanDerWaalsContact O-N 3.09Å; L129-R131 PolarHBondContact O-N 3.37Å; R131-T134 PolarHBondContact O-N 2.97Å; R131-A135 WeakPolarHBondContact O-CB 3.48Å; R131-A135 PolarHBondContact O-N 3.46Å
132A98Very high96.8Very high0 Ų049.8 Ų49.80%024%0.237CC..Hα-helixtrans-61.1-45.8174.100000111.9P61 V92 D94 L123 G128 L129 T134 A135 G136P61-A132 HydrophobicContact CB-CB 3.66Å; V92-A132 HydrophobicContact CB-CB 4.35Å; V92-A132 HydrophobicContact CG1-CB 3.89Å; D94-A132 HydrophobicContact CB-CB 4.08Å; L123-A132 HydrophobicContact CD1-CB 4.32Å; G128-A132 WeakPolarHBondContact O-CB 3.42Å; G128-A132 PolarHBondContact O-N 3.13Å; L129-A132 PolarHBondContact O-N 2.88Å; A132-T134 VanDerWaalsContact C-N 3.34Å; A132-T134 PolarHBondContact O-N 3.43Å; A132-A135 PolarHBondContact O-N 2.99Å; A132-G136 PolarHBondContact O-N 2.84Å
133K98.4Very high96.8Very high0 Ų052 Ų520%025%0.248CC..Hα-helixtrans-56.5-47.5172-74.7-175.2174.7172.30111.5P61 L129 A135 G136 A137 F147 G229 G230 Y245P61-K133 HydrophobicContact CG-CG 3.9Å; L129-K133 HydrophobicContact CG-CD 4.38Å; L129-K133 WeakPolarHBondContact O-CB 3.46Å; L129-K133 WeakPolarHBondContact O-CG 3.43Å; L129-K133 PolarHBondContact O-N 3.49Å; K133-A135 PolarHBondContact O-N 3.32Å; K133-G136 PolarHBondContact O-N 3.34Å; K133-A137 WeakPolarHBondContact O-CB 3.3Å; K133-A137 PolarHBondContact O-N 2.87Å; K133-F147 HydrophobicContact CB-CD1 3.84Å; K133-F147 HydrophobicContact CB-CE1 3.67Å; K133-F147 HydrophobicContact CD-CB 4.48Å; K133-F147 HydrophobicContact CD-CD1 3.91Å; K133-F147 HydrophobicContact CD-CE1 4.48Å; K133-F147 HydrophobicContact CD-CG 4.31Å; K133-F147 HydrophobicContact CG-CD1 3.65Å; K133-F147 HydrophobicContact CG-CE1 4.05Å; K133-F147 WeakPolarHBondContact O-CE1 3.38Å; K133-G229 PolarHBondContact NZ-O 2.89Å; K133-G230 PolarHBondContact NZ-O 3.32Å; K133-Y245 HydrophobicContact CB-CD2 4.43Å; K133-Y245 HydrophobicContact CB-CE2 4.04Å; K133-Y245 HydrophobicContact CD-CE2 3.96Å
134T98Very high96.9Very high14 Ų1450.3 Ų50.39%0.08624%0.239CC..Hα-helixtrans-65-38.5-179.9-550000112.4I130 R131 A132 A137 R138I130-T134 PolarHBondContact O-N 3.43Å; I130-T134 VanDerWaalsContact O-N 3.09Å; I130-T134 PolarHBondContact O-OG1 3.02Å; R131-T134 PolarHBondContact O-N 2.97Å; A132-T134 VanDerWaalsContact C-N 3.34Å; A132-T134 PolarHBondContact O-N 3.43Å; T134-A137 PolarHBondContact O-N 3.48Å; T134-R138 WeakPolarHBondContact O-CG 3.43Å; T134-R138 PolarHBondContact O-N 3.42Å; T134-R138 VanDerWaalsContact O-N 3.11Å
135A98.3Very high97.1Very high18 Ų1842.3 Ų42.315%0.14920%0.201CC..Hα-helixtrans-64-47.717600000111.3V92 L123 R131 A132 K133 A137 R138 E139V92-A135 HydrophobicContact CG1-CB 4.36Å; L123-A135 HydrophobicContact CD1-CB 4.48Å; L123-A135 HydrophobicContact CD2-CB 4.02Å; R131-A135 WeakPolarHBondContact O-CB 3.48Å; R131-A135 PolarHBondContact O-N 3.46Å; A132-A135 PolarHBondContact O-N 2.99Å; K133-A135 PolarHBondContact O-N 3.32Å; A135-A137 VanDerWaalsContact C-N 3.3Å; A135-A137 PolarHBondContact O-N 3.13Å; A135-R138 PolarHBondContact O-N 3.33Å; A135-E139 PolarHBondContact O-N 3.34Å
136G98.6Very high97.4Very high0 Ų035.9 Ų35.90%017%0.172CC..Hα-helixtrans-60.9-39174.800000112.8A132 K133 R138 E139 A140A132-G136 PolarHBondContact O-N 2.84Å; K133-G136 PolarHBondContact O-N 3.34Å; G136-R138 VanDerWaalsContact C-N 3.33Å; G136-R138 PolarHBondContact O-N 3.13Å; G136-E139 PolarHBondContact O-N 3.42Å; G136-A140 WeakPolarHBondContact O-CB 3.45Å; G136-A140 PolarHBondContact O-N 3.38Å; G136-A140 VanDerWaalsContact O-N 3.11Å
137A98.7Very high97.7Very high1 Ų132.4 Ų32.41%0.00816%0.158CC..Hα-helixtrans-63-36.4177.200000113I59 K133 T134 A135 E139 A140 L145 F147 F239 W240I59-A137 HydrophobicContact CD1-CB 4.06Å; K133-A137 WeakPolarHBondContact O-CB 3.3Å; K133-A137 PolarHBondContact O-N 2.87Å; T134-A137 PolarHBondContact O-N 3.48Å; A135-A137 VanDerWaalsContact C-N 3.3Å; A135-A137 PolarHBondContact O-N 3.13Å; A137-E139 VanDerWaalsContact C-N 3.3Å; A137-E139 PolarHBondContact O-N 2.99Å; A137-A140 PolarHBondContact O-N 2.88Å; A137-L145 HydrophobicContact CB-CD1 3.86Å; A137-F147 HydrophobicContact CB-CE1 4.46Å; A137-F147 HydrophobicContact CB-CZ 4.13Å; A137-F239 HydrophobicContact CB-CD1 4.3Å; A137-F239 HydrophobicContact CB-CE1 3.69Å; A137-F239 HydrophobicContact CB-CZ 4.3Å; A137-W240 HydrophobicContact CB-CH2 4.24Å; A137-W240 HydrophobicContact CB-CZ2 3.91Å; A137-W240 WeakPolarHBondContact O-CZ2 3.17Å
138R98.5Very high98Very high168 Ų16832.1 Ų32.163%0.63416%0.155SC*.Hα-helixtrans-66.7-33.7178.1-73.6175.2-177.6154.12.4112.7T134 A135 G136 W240T134-R138 WeakPolarHBondContact O-CG 3.43Å; T134-R138 PolarHBondContact O-N 3.42Å; T134-R138 VanDerWaalsContact O-N 3.11Å; A135-R138 PolarHBondContact O-N 3.33Å; G136-R138 VanDerWaalsContact C-N 3.33Å; G136-R138 PolarHBondContact O-N 3.13Å; R138-W240 HydrophobicContact CG-CH2 3.6Å; R138-W240 HydrophobicContact CG-CZ2 4.04Å
139E98.4Very high98.2Very high103 Ų10333.3 Ų33.348%0.48116%0.161SC..Hα-helixtrans-87.1-10.2-179.5-63.1-59.3137.300112.8I90 R119 I121 A135 G136 A137I90-E139 HydrophobicContact CD1-CB 4.46Å; R119-E139 PolarHBondContact NH2-O 2.88Å; I121-E139 HydrophobicContact CD1-CB 3.76Å; I121-E139 HydrophobicContact CD1-CG 3.55Å; A135-E139 PolarHBondContact O-N 3.34Å; G136-E139 PolarHBondContact O-N 3.42Å; A137-E139 VanDerWaalsContact C-N 3.3Å; A137-E139 PolarHBondContact O-N 2.99Å
140A98.7Very high98.3Very high19 Ų1931.8 Ų31.816%0.15715%0.153CC..  trans-76.1139.7-176.800000112.9I59 I90 G136 A137 L145I59-A140 HydrophobicContact CD1-CB 4.32Å; I90-A140 HydrophobicContact CD1-CB 3.84Å; G136-A140 WeakPolarHBondContact O-CB 3.45Å; G136-A140 PolarHBondContact O-N 3.38Å; G136-A140 VanDerWaalsContact O-N 3.11Å; A137-A140 PolarHBondContact O-N 2.88Å; A140-L145 HydrophobicContact CB-CD2 3.43Å; A140-L145 VanDerWaalsContact CB-CD2 3.43Å
141T98.4Very high98.4Very high81 Ų8132.5 Ų32.550%0.49716%0.157SC..  trans-118.8-3.6-176.166.30000114S57 K87 E88S57-T141 PolarHBondContact OG-N 3.13Å; K87-T141 WeakPolarHBondContact CE-OG1 3.49Å; K87-T141 PolarHBondContact NZ-O 3.3Å; E88-T141 WeakPolarHBondContact OE1-CB 3.5Å; E88-T141 PolarHBondContact OE1-N 2.85Å; E88-T141 PolarHBondContact OE1-OG1 3.49Å
142G98.5Very high98.5Very high6 Ų627.6 Ų27.66%0.06214%0.138CC..SBendtrans-73157.8174.700000112.4S57 V144S57-G142 WeakPolarHBondContact OG-CA 3.37Å; S57-G142 PolarHBondContact OG-N 2.83Å; G142-V144 VanDerWaalsContact C-N 3.31Å
143E98.7Very high98.5Very high114 Ų11427.8 Ų27.853%0.53314%0.139SC..SBendtrans-72.1-28.7178.4-66.8165.592.600112.2P54 T55 S235 A236P54-E143 HydrophobicContact CB-CB 3.83Å; T55-E143 PolarHBondContact N-OE2 3.31Å; T55-E143 PolarHBondContact O-N 3.13Å; T55-E143 PolarHBondContact OG1-OE2 3.46Å; E143-S235 WeakPolarHBondContact O-CA 3.49Å; E143-A236 PolarHBondContact O-N 3.25Å
144V98.9Very high98.5Very high2 Ų227.8 Ų27.81%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-120135.1174.4175.40000110.2P54 T55 V56 S57 G142 I146 L163 I166 A233 I234P54-V144 HydrophobicContact CB-CG2 3.93Å; P54-V144 HydrophobicContact CG-CG2 3.54Å; T55-V144 PolarHBondContact O-N 3.23Å; V56-V144 CarbonylContact C-O 3.52Å; V56-V144 VanDerWaalsContact CA-O 3.26Å; V56-V144 WeakPolarHBondContact CA-O 3.37Å; V56-V144 HydrophobicContact CG1-CB 4.12Å; S57-V144 PolarHBondContact N-O 3.09Å; G142-V144 VanDerWaalsContact C-N 3.31Å; V144-I146 HydrophobicContact CG1-CG1 4.21Å; V144-L163 HydrophobicContact CB-CD2 4.12Å; V144-L163 HydrophobicContact CG1-CD2 3.78Å; V144-L163 HydrophobicContact CG2-CD2 4.22Å; V144-I166 HydrophobicContact CG1-CD1 3.91Å; V144-I166 HydrophobicContact CG2-CG2 3.91Å; V144-A233 HydrophobicContact CG1-CB 4.01Å; V144-I234 WeakPolarHBondContact CA-O 3.35Å; V144-I234 WeakPolarHBondContact CG1-O 3.47Å
145L98.9Very high98.5Very high0 Ų027.3 Ų27.30%014%0.137CC..EExtended strand (participates in β ladder)trans-92.8128170.2-52.1-178.8000108.4I59 A137 A140 F147 A233 I234 A236 F239I59-L145 HydrophobicContact CD1-CB 4.28Å; I59-L145 HydrophobicContact CD1-CD2 4.19Å; A137-L145 HydrophobicContact CB-CD1 3.86Å; A140-L145 HydrophobicContact CB-CD2 3.43Å; A140-L145 VanDerWaalsContact CB-CD2 3.43Å; L145-F147 HydrophobicContact CB-CE2 3.95Å; L145-F147 HydrophobicContact CB-CZ 4.29Å; L145-F147 HydrophobicContact CD1-CE2 4.5Å; L145-F147 HydrophobicContact CD1-CZ 4.29Å; L145-A233 WeakPolarHBondContact O-CA 3.24Å; L145-I234 HydrophobicContact CB-CG2 4.16Å; L145-I234 PolarHBondContact N-O 3.49Å; L145-I234 PolarHBondContact O-N 3.21Å; L145-A236 HydrophobicContact CD1-CB 4.38Å; L145-A236 HydrophobicContact CD2-CB 4.04Å; L145-A236 HydrophobicContact CG-CB 3.93Å; L145-F239 HydrophobicContact CD1-CB 4.06Å; L145-F239 HydrophobicContact CD1-CD1 3.75Å; L145-F239 HydrophobicContact CD1-CE1 4.38Å; L145-F239 HydrophobicContact CD1-CG 3.94Å
146I98.9Very high98.4Very high1 Ų129.6 Ų29.61%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-115.6120.8171.7-58.5179.5000107.7V56 S57 V58 I59 V144 L148 W158 L159 L162 L163 F232 A233V56-I146 HydrophobicContact CB-CD1 3.92Å; V56-I146 HydrophobicContact CB-CG1 4.3Å; V56-I146 HydrophobicContact CG1-CD1 4.01Å; V56-I146 HydrophobicContact CG2-CD1 3.92Å; S57-I146 PolarHBondContact O-N 2.79Å; V58-I146 CarbonylContact C-O 3.56Å; V58-I146 WeakPolarHBondContact CA-O 2.91Å; V58-I146 HydrophobicContact CG1-CG2 4.49Å; V58-I146 HydrophobicContact CG2-CB 4.29Å; V58-I146 HydrophobicContact CG2-CD1 4.46Å; I59-I146 PolarHBondContact N-O 2.86Å; V144-I146 HydrophobicContact CG1-CG1 4.21Å; I146-L148 HydrophobicContact CG2-CD2 4.12Å; I146-L148 HydrophobicContact CG2-CG 4.09Å; I146-W158 HydrophobicContact CD1-CH2 3.85Å; I146-W158 HydrophobicContact CD1-CZ3 3.94Å; I146-W158 HydrophobicContact CG2-CH2 4.34Å; I146-W158 HydrophobicContact CG2-CZ3 4.15Å; I146-L159 HydrophobicContact CD1-CD1 3.43Å; I146-L159 VanDerWaalsContact CD1-CD1 3.43Å; I146-L162 HydrophobicContact CD1-CD2 4.01Å; I146-L162 HydrophobicContact CG1-CD2 4.43Å; I146-L162 HydrophobicContact CG2-CD2 4.31Å; I146-L163 HydrophobicContact CD1-CD2 4.45Å; I146-F232 WeakPolarHBondContact CA-O 3.42Å; I146-A233 HydrophobicContact CG1-CB 3.94Å
147F98.8Very high98.3Very high0 Ų032.1 Ų32.10%016%0.159CC..EExtended strand (participates in β ladder)trans-96.7133.5173.5-61.5-84.7000109.2I59 K133 A137 L145 L231 F232 I234 F239I59-F147 HydrophobicContact CB-CD1 3.86Å; I59-F147 HydrophobicContact CB-CE1 4.03Å; I59-F147 HydrophobicContact CD1-CD1 4.14Å; I59-F147 HydrophobicContact CD1-CE1 3.52Å; I59-F147 HydrophobicContact CD1-CZ 3.84Å; I59-F147 HydrophobicContact CG1-CE1 4.4Å; I59-F147 HydrophobicContact CG2-CD1 3.96Å; I59-F147 HydrophobicContact CG2-CE1 4Å; I59-F147 WeakPolarHBondContact O-CA 3.4Å; K133-F147 HydrophobicContact CB-CD1 3.84Å; K133-F147 HydrophobicContact CB-CE1 3.67Å; K133-F147 HydrophobicContact CD-CB 4.48Å; K133-F147 HydrophobicContact CD-CD1 3.91Å; K133-F147 HydrophobicContact CD-CE1 4.48Å; K133-F147 HydrophobicContact CD-CG 4.31Å; K133-F147 HydrophobicContact CG-CD1 3.65Å; K133-F147 HydrophobicContact CG-CE1 4.05Å; K133-F147 WeakPolarHBondContact O-CE1 3.38Å; A137-F147 HydrophobicContact CB-CE1 4.46Å; A137-F147 HydrophobicContact CB-CZ 4.13Å; L145-F147 HydrophobicContact CB-CE2 3.95Å; L145-F147 HydrophobicContact CB-CZ 4.29Å; L145-F147 HydrophobicContact CD1-CE2 4.5Å; L145-F147 HydrophobicContact CD1-CZ 4.29Å; F147-L231 VanDerWaalsContact O-CA 3.27Å; F147-L231 WeakPolarHBondContact O-CA 3.23Å; F147-F232 HydrophobicContact CB-CD1 4.15Å; F147-F232 HydrophobicContact CB-CE1 3.84Å; F147-F232 HydrophobicContact CB-CZ 4.29Å; F147-F232 HydrophobicContact CD2-CD1 4.24Å; F147-F232 HydrophobicContact CD2-CD2 4.08Å; F147-F232 AromaticContact CD2-CE1 3.58Å; F147-F232 HydrophobicContact CD2-CE1 3.58Å; F147-F232 AromaticContact CD2-CE2 3.4Å; F147-F232 HydrophobicContact CD2-CE2 3.4Å; F147-F232 VanDerWaalsContact CD2-CE2 3.4Å; F147-F232 HydrophobicContact CD2-CG 4.47Å; F147-F232 AromaticContact CD2-CZ 3.11Å; F147-F232 HydrophobicContact CD2-CZ 3.11Å; F147-F232 HydrophobicContact CE2-CE1 4.4Å; F147-F232 AromaticContact CE2-CE2 3.69Å; F147-F232 HydrophobicContact CE2-CE2 3.69Å; F147-F232 AromaticContact CE2-CZ 3.53Å; F147-F232 HydrophobicContact CE2-CZ 3.53Å; F147-F232 AromaticContact CG-CE1 3.9Å; F147-F232 HydrophobicContact CG-CE1 3.9Å; F147-F232 HydrophobicContact CG-CE2 4.48Å; F147-F232 AromaticContact CG-CZ 3.85Å; F147-F232 HydrophobicContact CG-CZ 3.85Å; F147-F232 PolarHBondContact N-O 3.18Å; F147-F232 PolarHBondContact O-N 3.21Å; F147-I234 HydrophobicContact CE2-CG2 4.16Å; F147-F239 HydrophobicContact CE2-CE2 4.42Å; F147-F239 HydrophobicContact CZ-CE2 4.3Å; F147-F239 HydrophobicContact CZ-CZ 4.3Å
148L98.7Very high98.3Very high2 Ų232 Ų321%0.0116%0.159CC..  trans-135.5147.2173.5-59.3177.2000110.1V58 I59 I60 P61 V77 I146 L231 I278V58-L148 HydrophobicContact CG1-CD1 3.68Å; V58-L148 HydrophobicContact CG1-CG 4.08Å; I59-L148 PolarHBondContact O-N 3.03Å; I59-L148 VanDerWaalsContact O-N 3.1Å; I60-L148 HydrophobicContact CG1-CB 4.36Å; P61-L148 WeakPolarHBondContact CD-O 3.43Å; V77-L148 HydrophobicContact CG2-CD1 3.48Å; V77-L148 VanDerWaalsContact CG2-CD1 3.48Å; I146-L148 HydrophobicContact CG2-CD2 4.12Å; I146-L148 HydrophobicContact CG2-CG 4.09Å; L148-L231 HydrophobicContact CD2-CB 4.2Å; L148-L231 HydrophobicContact CD2-CD2 4.02Å; L148-L231 HydrophobicContact CD2-CG 3.83Å; L148-I278 HydrophobicContact CD2-CD1 3.44Å; L148-I278 VanDerWaalsContact CD2-CD1 3.44Å
149D98.1Very high98.3Very high26 Ų2624 Ų2414%0.13913%0.129CC..  trans-72.6156.9169.2-64.5-28.2000110.7H151 L231 H280D149-H151 PolarHBondContact O-N 3.09Å; D149-H151 VanDerWaalsContact O-N 3.11Å; D149-L231 HydrophobicContact CB-CD1 4.38Å; D149-H280 IonicContact OD2-CD2 3.68Å; D149-H280 PolarHBondContact OD2-CD2 2.99Å; D149-H280 IonicContact OD2-NE2 3.66Å; D149-H280 PolarHBondContact OD2-NE2 3.08Å
150S98.3Very high98.3Very high6 Ų619.6 Ų19.64%0.04211%0.109CC..SBendtrans-76.68-173.351.70000115.8E65 T69 L70 T73E65-S150 PolarHBondContact OE2-OG 2.58Å; T69-S150 CarbonylContact C-O 3.52Å; L70-S150 WeakPolarHBondContact CA-O 3.38Å; T73-S150 VanDerWaalsContact OG1-C 3.32Å; T73-S150 PolarHBondContact OG1-O 3.13Å
151H98.4Very high98.3Very high17 Ų1718.9 Ų18.98%0.07910%0.103CC..SBendtrans-13755.1-179.639.9-88.4000110.2E65 D149 H280 I281E65-H151 IonicContact OE2-CE1 3.03Å; E65-H151 IonicContact OE2-CG 2.62Å; E65-H151 IonicContact OE2-ND1 3.15Å; E65-H151 PolarHBondContact OE2-ND1 3.3Å; D149-H151 PolarHBondContact O-N 3.09Å; D149-H151 VanDerWaalsContact O-N 3.11Å; H151-H280 AromaticContact CD2-CD2 3.81Å; H151-H280 AromaticContact CD2-NE2 3.45Å; H151-H280 PolarHBondContact CD2-NE2 2.64Å; H151-H280 AromaticContact NE2-CD2 3.99Å; H151-H280 AromaticContact NE2-CE1 3.94Å; H151-H280 AromaticContact NE2-NE2 3.24Å; H151-H280 PolarHBondContact NE2-NE2 3.22Å; H151-I281 HydrophobicContact CB-CB 4.13Å; H151-I281 HydrophobicContact CB-CD1 3.88Å; H151-I281 HydrophobicContact CB-CG1 4.1Å; H151-I281 PolarHBondContact CD2-O 3.46Å; H151-I281 PolarHBondContact O-N 3.1Å
152C98.6Very high98.3Very high2 Ų215.1 Ų15.11%0.0148%0.079CC..EExtended strand (participates in β ladder)trans-119.5159-178.7-74.90000112.5T73 I278 G279T73-C152 WeakPolarHBondContact CA-O 3.45Å; T73-C152 WeakPolarHBondContact CB-O 2.89Å; T73-C152 HydrophobicContact CG2-CB 3.97Å; T73-C152 PolarHBondContact OG1-N 2.87Å; T73-C152 PolarHBondContact OG1-O 2.81Å; T73-C152 VanDerWaalsContact OG1-O 3.07Å; C152-I278 HydrophobicContact CB-CG2 3.87Å; C152-G279 CarbonylContact C-O 3.58Å; C152-G279 WeakPolarHBondContact CA-O 3.33Å; C152-G279 WeakPolarHBondContact CB-O 3.48Å
153E98.7Very high98.3Very high4 Ų414.8 Ų14.82%0.0198%0.076CC..EExtended strand (participates in β ladder)trans-133.9114.3167.2-71-177.8-116.500110.2R34 R72 S76 I181 Y188 G279R34-E153 IonicContact CZ-OE1 2.81Å; R34-E153 IonicContact CZ-OE2 3.96Å; R34-E153 VanDerWaalsContact NE-CD 3.32Å; R34-E153 IonicContact NE-OE1 3.63Å; R34-E153 PolarHBondContact NE-OE1 3.13Å; R34-E153 IonicContact NE-OE2 3.6Å; R34-E153 PolarHBondContact NE-OE2 3.19Å; R34-E153 IonicContact NH2-OE1 3.51Å; R34-E153 PolarHBondContact NH2-OE1 3.48Å; R34-E153 IonicContact NH2-OE2 2.68Å; R72-E153 VanDerWaalsContact CD-OE1 3.25Å; R72-E153 WeakPolarHBondContact CD-OE1 3.48Å; R72-E153 HydrophobicContact CG-CG 3.84Å; S76-E153 WeakPolarHBondContact OG-CA 3.07Å; E153-I181 HydrophobicContact CB-CD1 3.89Å; E153-I181 HydrophobicContact CG-CD1 3.9Å; E153-Y188 HydrophobicContact CB-CD2 4.48Å; E153-Y188 HydrophobicContact CB-CE2 4.35Å; E153-G279 PolarHBondContact N-O 3.14Å; E153-G279 PolarHBondContact O-N 2.97Å
154A98.5Very high98.3Very high0 Ų011.5 Ų11.50%06%0.063CC..EExtended strand (participates in β ladder)trans-65.5137.3-178.300000112.1I36 S76 R80 W158I36-A154 WeakPolarHBondContact CD1-O 3.46Å; S76-A154 PolarHBondContact OG-N 3.25Å; R80-A154 WeakPolarHBondContact CD-O 3.3Å; R80-A154 PolarHBondContact NH1-O 3.44Å; A154-W158 HydrophobicContact CB-CD2 3.94Å; A154-W158 HydrophobicContact CB-CG 3.79Å
155G97.6Very high98.2Very high4 Ų412.5 Ų12.54%0.0417%0.069CC..  trans-68.6174.6178.600000114.2N157 R277G155-N157 PolarHBondContact O-N 2.99Å; G155-R277 WeakPolarHBondContact CA-O 3.49Å; G155-R277 PolarHBondContact N-O 3.04Å
156I96.3Very high98.2Very high66 Ų6612.8 Ų12.834%0.3387%0.071SC..THydrogen-bonded Turntrans-68.5128.6171.1-68.6163.2000109.2D38 R40 W158D38-I156 HydrophobicContact CB-CD1 3.62Å; R40-I156 WeakPolarHBondContact CD-O 3.28Å; R40-I156 PolarHBondContact NE-O 3.37Å; I156-W158 PolarHBondContact O-N 3.5Å
157N96.6Very high98.2Very high52 Ų5215 Ų1528%0.2789%0.088SC..THydrogen-bonded Turntrans53.340.4-179.9-170.366.9000112.7G155 L159 P160 P161G155-N157 PolarHBondContact O-N 2.99Å; N157-L159 VanDerWaalsContact C-N 3.35Å; N157-P160 WeakPolarHBondContact OD1-CG 3.23Å; N157-P161 WeakPolarHBondContact O-CD 3.47Å; N157-P161 WeakPolarHBondContact O-CG 3.17Å
158W98.1Very high98.1Very high0 Ų019.2 Ų19.20%012%0.123CC..  trans-68.5-32.6-177.571.5-81.4000113V77 I86 I146 A154 I156 L162 S276 I278V77-W158 HydrophobicContact CG1-CZ2 4.11Å; V77-W158 HydrophobicContact CG2-CZ2 4.46Å; I86-W158 HydrophobicContact CD1-CZ2 4.44Å; I146-W158 HydrophobicContact CD1-CH2 3.85Å; I146-W158 HydrophobicContact CD1-CZ3 3.94Å; I146-W158 HydrophobicContact CG2-CH2 4.34Å; I146-W158 HydrophobicContact CG2-CZ3 4.15Å; A154-W158 HydrophobicContact CB-CD2 3.94Å; A154-W158 HydrophobicContact CB-CG 3.79Å; I156-W158 PolarHBondContact O-N 3.5Å; W158-L162 HydrophobicContact CE3-CD2 4.01Å; W158-L162 HydrophobicContact CZ3-CD2 3.69Å; W158-S276 VanDerWaalsContact O-CB 3.3Å; W158-S276 WeakPolarHBondContact O-CB 3.34Å; W158-S276 PolarHBondContact O-OG 3.45Å; W158-I278 HydrophobicContact CD2-CD1 4.49Å; W158-I278 HydrophobicContact CE3-CD1 3.74Å; W158-I278 HydrophobicContact CE3-CG1 4.39Å; W158-I278 HydrophobicContact CZ3-CD1 4.04Å
159L98.5Very high98.1Very high0 Ų022.6 Ų22.60%014%0.142CC..Hα-helixtrans-77.5-50.2-167.4-175.662.4000114V56 A81 L85 I86 I146 N157 L162 L163V56-L159 HydrophobicContact CG1-CD1 4.25Å; V56-L159 HydrophobicContact CG2-CD1 4.42Å; V56-L159 HydrophobicContact CG2-CD2 4.45Å; A81-L159 HydrophobicContact CB-CB 4.49Å; A81-L159 HydrophobicContact CB-CD2 3.77Å; L85-L159 HydrophobicContact CB-CD2 3.68Å; L85-L159 HydrophobicContact CD1-CD2 3.97Å; L85-L159 HydrophobicContact CD1-CG 4.4Å; I86-L159 HydrophobicContact CD1-CD2 3.72Å; I146-L159 HydrophobicContact CD1-CD1 3.43Å; I146-L159 VanDerWaalsContact CD1-CD1 3.43Å; N157-L159 VanDerWaalsContact C-N 3.35Å; L159-L162 VanDerWaalsContact O-CB 3.3Å; L159-L162 WeakPolarHBondContact O-CB 3.39Å; L159-L162 PolarHBondContact O-N 2.63Å; L159-L163 HydrophobicContact CD1-CD1 3.75Å; L159-L163 HydrophobicContact CD1-CD2 4.17Å; L159-L163 HydrophobicContact CD1-CG 3.79Å; L159-L163 HydrophobicContact CD2-CD1 4.31Å; L159-L163 HydrophobicContact CG-CD1 3.75Å; L159-L163 HydrophobicContact CG-CG 4.15Å; L159-L163 WeakPolarHBondContact O-CG 3.42Å; L159-L163 PolarHBondContact O-N 2.72Å; L159-L163 VanDerWaalsContact O-N 3.13Å
160P98.2Very high98.1Very high9 Ų925.1 Ų25.16%0.05815%0.15CC..Hα-helixtrans-53.7-49.2179.5-27.937.9000115.6Y49 L53 P82 N157 L162 L163 D164Y49-P160 HydrophobicContact CD1-CB 4.33Å; Y49-P160 HydrophobicContact CD2-CB 3.59Å; Y49-P160 HydrophobicContact CE2-CB 4.1Å; Y49-P160 HydrophobicContact CG-CB 3.73Å; L53-P160 HydrophobicContact CD1-CB 3.85Å; L53-P160 HydrophobicContact CD1-CG 4.25Å; P82-P160 HydrophobicContact CG-CG 3.79Å; N157-P160 WeakPolarHBondContact OD1-CG 3.23Å; P160-L162 PolarHBondContact O-N 2.94Å; P160-L163 PolarHBondContact O-N 2.84Å; P160-L163 VanDerWaalsContact O-N 3.11Å; P160-D164 WeakPolarHBondContact O-CB 3.45Å; P160-D164 PolarHBondContact O-N 3.13Å
161P98.3Very high98.2Very high5 Ų527.4 Ų27.43%0.03216%0.159CC..Hα-helixtrans-63.9-20.9177.219.9-28.4000114.2Y49 N157 P165 C275Y49-P161 VanDerWaalsContact CE1-CA 3.41Å; Y49-P161 HydrophobicContact CE1-CB 3.59Å; Y49-P161 HydrophobicContact CE1-CG 4.31Å; N157-P161 WeakPolarHBondContact O-CD 3.47Å; N157-P161 WeakPolarHBondContact O-CG 3.17Å; P161-P165 WeakPolarHBondContact O-CD 3.34Å; P161-C275 HydrophobicContact CB-CB 3.89Å; P161-C275 HydrophobicContact CG-CB 4.12Å; P161-C275 WeakPolarHBondContact CG-O 3.09Å
162L98.4Very high98.2Very high1 Ų127 Ų271%0.00516%0.157CC..Hα-helixtrans-78.9-34.5176.1-164.169.4000111.6I146 W158 L159 P160 V174 P176 A233I146-L162 HydrophobicContact CD1-CD2 4.01Å; I146-L162 HydrophobicContact CG1-CD2 4.43Å; I146-L162 HydrophobicContact CG2-CD2 4.31Å; W158-L162 HydrophobicContact CE3-CD2 4.01Å; W158-L162 HydrophobicContact CZ3-CD2 3.69Å; L159-L162 VanDerWaalsContact O-CB 3.3Å; L159-L162 WeakPolarHBondContact O-CB 3.39Å; L159-L162 PolarHBondContact O-N 2.63Å; P160-L162 PolarHBondContact O-N 2.94Å; L162-V174 HydrophobicContact CD1-CB 4.01Å; L162-V174 HydrophobicContact CD1-CG1 3.76Å; L162-V174 WeakPolarHBondContact O-CB 3.22Å; L162-V174 WeakPolarHBondContact O-CG2 3.46Å; L162-P176 HydrophobicContact CD1-CB 4.35Å; L162-A233 HydrophobicContact CD1-CB 4.19Å; L162-A233 HydrophobicContact CD2-CB 3.73Å; L162-A233 HydrophobicContact CG-CB 3.6Å
163L98.7Very high98.2Very high0 Ų026.9 Ų26.90%016%0.157CC..Hα-helixtrans-91.2-31.9-175.1-62.4-176.2000114.1L53 P54 V56 L85 V144 I146 L159 P160 I166 A167L53-L163 HydrophobicContact CB-CD1 4.28Å; L53-L163 HydrophobicContact CD2-CB 4.02Å; P54-L163 HydrophobicContact CG-CB 4.47Å; P54-L163 WeakPolarHBondContact O-CD1 3.43Å; V56-L163 HydrophobicContact CG1-CD1 3.61Å; V56-L163 HydrophobicContact CG1-CD2 3.63Å; V56-L163 HydrophobicContact CG1-CG 4.21Å; L85-L163 HydrophobicContact CD1-CD1 4.36Å; V144-L163 HydrophobicContact CB-CD2 4.12Å; V144-L163 HydrophobicContact CG1-CD2 3.78Å; V144-L163 HydrophobicContact CG2-CD2 4.22Å; I146-L163 HydrophobicContact CD1-CD2 4.45Å; L159-L163 HydrophobicContact CD1-CD1 3.75Å; L159-L163 HydrophobicContact CD1-CD2 4.17Å; L159-L163 HydrophobicContact CD1-CG 3.79Å; L159-L163 HydrophobicContact CD2-CD1 4.31Å; L159-L163 HydrophobicContact CG-CD1 3.75Å; L159-L163 HydrophobicContact CG-CG 4.15Å; L159-L163 WeakPolarHBondContact O-CG 3.42Å; L159-L163 PolarHBondContact O-N 2.72Å; L159-L163 VanDerWaalsContact O-N 3.13Å; P160-L163 PolarHBondContact O-N 2.84Å; P160-L163 VanDerWaalsContact O-N 3.11Å; L163-I166 CarbonylContact O-C 3.45Å; L163-I166 WeakPolarHBondContact O-CA 3.49Å; L163-I166 WeakPolarHBondContact O-CB 3.18Å; L163-I166 PolarHBondContact O-N 3.09Å; L163-A167 PolarHBondContact O-N 2.81Å
164D98.3Very high98.2Very high45 Ų4526.7 Ų26.724%0.24116%0.156CC..Hα-helixtrans-55.8-43.3-174-165.571.3000113.3Y49 S50 L53 P160 I166 A167 A168Y49-D164 HydrophobicContact CD1-CB 3.8Å; S50-D164 WeakPolarHBondContact CB-OD1 3.41Å; S50-D164 PolarHBondContact N-OD1 3.31Å; L53-D164 HydrophobicContact CD2-CB 4.27Å; P160-D164 WeakPolarHBondContact O-CB 3.45Å; P160-D164 PolarHBondContact O-N 3.13Å; D164-I166 VanDerWaalsContact C-N 3.3Å; D164-I166 PolarHBondContact O-N 3.34Å; D164-A167 PolarHBondContact O-N 2.9Å; D164-A168 PolarHBondContact O-N 2.89Å; D164-A168 VanDerWaalsContact O-N 3.09Å
165P98.3Very high98.2Very high23 Ų2327 Ų2715%0.14916%0.158CC..Hα-helixtrans-66.2-30174.7-19.132.7000113.9P161 N169 T172 V174 P221 V271P161-P165 WeakPolarHBondContact O-CD 3.34Å; P165-N169 PolarHBondContact O-N 2.86Å; P165-N169 VanDerWaalsContact O-N 3.13Å; P165-T172 HydrophobicContact CB-CG2 3.97Å; P165-T172 PolarHBondContact O-OG1 2.98Å; P165-V174 HydrophobicContact CB-CG2 3.74Å; P165-V174 HydrophobicContact CG-CG1 4.46Å; P165-V174 HydrophobicContact CG-CG2 3.93Å; P165-P221 HydrophobicContact CG-CG 4.1Å; P165-V271 HydrophobicContact CB-CG2 4.46Å
166I98.7Very high98.3Very high6 Ų627.1 Ų27.13%0.03116%0.158CC..Hα-helixtrans-75.1-37.4177.6-51.5-178.3000110.3V144 L163 D164 A168 N169 Y170 V174 A233V144-I166 HydrophobicContact CG1-CD1 3.91Å; V144-I166 HydrophobicContact CG2-CG2 3.91Å; L163-I166 CarbonylContact O-C 3.45Å; L163-I166 WeakPolarHBondContact O-CA 3.49Å; L163-I166 WeakPolarHBondContact O-CB 3.18Å; L163-I166 PolarHBondContact O-N 3.09Å; D164-I166 VanDerWaalsContact C-N 3.3Å; D164-I166 PolarHBondContact O-N 3.34Å; I166-A168 VanDerWaalsContact C-N 3.3Å; I166-A168 PolarHBondContact O-N 2.82Å; I166-N169 CarbonylContact O-C 3.45Å; I166-N169 PolarHBondContact O-N 2.78Å; I166-Y170 WeakPolarHBondContact O-CA 3.29Å; I166-Y170 PolarHBondContact O-N 3.46Å; I166-Y170 VanDerWaalsContact O-N 3.13Å; I166-V174 HydrophobicContact CD1-CG2 4.07Å; I166-V174 HydrophobicContact CG1-CG2 3.6Å; I166-A233 HydrophobicContact CD1-CB 3.61Å
167A98.1Very high98.3Very high46 Ų4624.6 Ų24.638%0.3815%0.145SC..Hα-helixtrans-62.8-39174.100000111.3L53 L163 D164L53-A167 HydrophobicContact CD2-CB 4.4Å; L163-A167 PolarHBondContact O-N 2.81Å; D164-A167 PolarHBondContact O-N 2.9Å
168A97.7Very high98.4Very high89 Ų8923.6 Ų23.674%0.73614%0.139SC*.Hα-helixtrans-68.5-37.5175.300000112.8D164 I166D164-A168 PolarHBondContact O-N 2.89Å; D164-A168 VanDerWaalsContact O-N 3.09Å; I166-A168 VanDerWaalsContact C-N 3.3Å; I166-A168 PolarHBondContact O-N 2.82Å
169N98.3Very high98.3Very high73 Ų7323.6 Ų23.639%0.3914%0.139SC..  trans-151.5113.1174.3178.7-1.5000110.4P165 I166 K171 T172P165-N169 PolarHBondContact O-N 2.86Å; P165-N169 VanDerWaalsContact O-N 3.13Å; I166-N169 CarbonylContact O-C 3.45Å; I166-N169 PolarHBondContact O-N 2.78Å; N169-K171 PolarHBondContact O-N 3.47Å; N169-K171 WeakPolarHBondContact OD1-CB 3.4Å; N169-K171 PolarHBondContact OD1-N 3.1Å; N169-T172 VanDerWaalsContact O-CB 3.29Å; N169-T172 WeakPolarHBondContact O-CB 3.5Å; N169-T172 PolarHBondContact O-N 3.12Å; N169-T172 PolarHBondContact O-OG1 2.7Å; N169-T172 VanDerWaalsContact O-OG1 3.08Å
170Y98.5Very high98.3Very high80 Ų8024.2 Ų24.231%0.31414%0.143SC..THydrogen-bonded Turntrans-60.9-16.6-176.778.2-84.7000114.2I166 T172 S235 K237 W238I166-Y170 WeakPolarHBondContact O-CA 3.29Å; I166-Y170 PolarHBondContact O-N 3.46Å; I166-Y170 VanDerWaalsContact O-N 3.13Å; Y170-T172 VanDerWaalsContact C-N 3.31Å; Y170-S235 WeakPolarHBondContact O-CB 3.48Å; Y170-S235 PolarHBondContact O-OG 3.38Å; Y170-K237 HydrophobicContact CD2-CB 4.32Å; Y170-K237 HydrophobicContact CD2-CD 3.85Å; Y170-K237 HydrophobicContact CD2-CG 4.06Å; Y170-K237 HydrophobicContact CE2-CD 3.7Å; Y170-K237 HydrophobicContact CE2-CG 3.92Å; Y170-W238 HydrophobicContact CD2-CB 4.1Å; Y170-W238 HydrophobicContact CE2-CB 4.47Å; Y170-W238 HydrophobicContact CE2-CE3 4.44Å; Y170-W238 WeakPolarHBondContact O-CB 3.44Å
171K98.7Very high98.2Very high54 Ų5423.9 Ų23.924%0.23514%0.14CC..THydrogen-bonded Turntrans-862.7174.4-58.7-165.4172.7-166.50114.1N169 W238 G268 R269N169-K171 PolarHBondContact O-N 3.47Å; N169-K171 WeakPolarHBondContact OD1-CB 3.4Å; N169-K171 PolarHBondContact OD1-N 3.1Å; K171-W238 HydrophobicContact CB-CD2 4.06Å; K171-W238 HydrophobicContact CB-CG 4.3Å; K171-W238 HydrophobicContact CB-CZ2 4.45Å; K171-W238 HydrophobicContact CD-CD2 4.27Å; K171-W238 HydrophobicContact CD-CE3 3.93Å; K171-W238 HydrophobicContact CD-CH2 3.94Å; K171-W238 HydrophobicContact CD-CZ2 4.2Å; K171-W238 HydrophobicContact CD-CZ3 3.79Å; K171-W238 HydrophobicContact CG-CD2 3.81Å; K171-W238 HydrophobicContact CG-CE3 3.8Å; K171-W238 HydrophobicContact CG-CG 4.29Å; K171-W238 HydrophobicContact CG-CZ2 4.48Å; K171-W238 HydrophobicContact CG-CZ3 4.2Å; K171-W238 PolarHBondContact O-NE1 3.09Å; K171-G268 VanDerWaalsContact O-CA 3.23Å; K171-G268 WeakPolarHBondContact O-CA 3.45Å; K171-R269 PolarHBondContact O-N 2.75Å; K171-R269 VanDerWaalsContact O-N 3.13Å
172T98.8Very high98.1Very high7 Ų725.5 Ų25.54%0.04315%0.149CC..EExtended strand (participates in β ladder)trans-83.7134.6171-51.40000109.8P165 N169 Y170 V174 R269 V271P165-T172 HydrophobicContact CB-CG2 3.97Å; P165-T172 PolarHBondContact O-OG1 2.98Å; N169-T172 VanDerWaalsContact O-CB 3.29Å; N169-T172 WeakPolarHBondContact O-CB 3.5Å; N169-T172 PolarHBondContact O-N 3.12Å; N169-T172 PolarHBondContact O-OG1 2.7Å; N169-T172 VanDerWaalsContact O-OG1 3.08Å; Y170-T172 VanDerWaalsContact C-N 3.31Å; T172-V174 HydrophobicContact CG2-CG2 4.03Å; T172-R269 CarbonylContact C-O 3.49Å; T172-R269 WeakPolarHBondContact CA-O 3.43Å; T172-V271 HydrophobicContact CG2-CG2 3.98Å
173V98.9Very high97.9Very high0 Ų025.6 Ų25.60%015%0.15CC..EExtended strand (participates in β ladder)trans-110.9132.3170.9-179.80000108.1M227 F232 A233 I234 I263 R269 M270 V271V173-M227 HydrophobicContact CG1-CE 3.9Å; V173-F232 HydrophobicContact CG1-CB 4.48Å; V173-F232 HydrophobicContact CG1-CD2 3.97Å; V173-A233 WeakPolarHBondContact CA-O 3.4Å; V173-A233 WeakPolarHBondContact CG1-O 3.29Å; V173-I234 HydrophobicContact CG1-CB 4.38Å; V173-I234 HydrophobicContact CG2-CB 4.07Å; V173-I234 HydrophobicContact CG2-CD1 3.62Å; V173-I234 HydrophobicContact CG2-CG1 3.72Å; V173-I263 HydrophobicContact CB-CD1 3.76Å; V173-I263 HydrophobicContact CB-CG1 4.46Å; V173-I263 HydrophobicContact CG1-CD1 3.88Å; V173-I263 HydrophobicContact CG2-CD1 3.46Å; V173-I263 VanDerWaalsContact CG2-CD1 3.46Å; V173-I263 HydrophobicContact CG2-CG1 3.72Å; V173-I263 HydrophobicContact CG2-CG2 4.14Å; V173-R269 PolarHBondContact N-O 3.02Å; V173-M270 HydrophobicContact CB-CG 4.24Å; V173-M270 HydrophobicContact CG1-CG 4.39Å; V173-M270 WeakPolarHBondContact O-CA 3.39Å; V173-V271 PolarHBondContact O-N 3.12Å
174V98.9Very high97.6Very high0 Ų027.4 Ų27.40%016%0.159CC..EExtended strand (participates in β ladder)trans-121.5127.4-171.9-168.30000109.5L162 P165 I166 T172 F232 A233 V271 A273L162-V174 HydrophobicContact CD1-CB 4.01Å; L162-V174 HydrophobicContact CD1-CG1 3.76Å; L162-V174 WeakPolarHBondContact O-CB 3.22Å; L162-V174 WeakPolarHBondContact O-CG2 3.46Å; P165-V174 HydrophobicContact CB-CG2 3.74Å; P165-V174 HydrophobicContact CG-CG1 4.46Å; P165-V174 HydrophobicContact CG-CG2 3.93Å; I166-V174 HydrophobicContact CD1-CG2 4.07Å; I166-V174 HydrophobicContact CG1-CG2 3.6Å; T172-V174 HydrophobicContact CG2-CG2 4.03Å; V174-F232 CarbonylContact O-C 3.58Å; V174-F232 WeakPolarHBondContact O-CA 3.33Å; V174-A233 PolarHBondContact N-O 3.44Å; V174-A233 PolarHBondContact O-N 3.31Å; V174-V271 CarbonylContact C-O 3.53Å; V174-V271 WeakPolarHBondContact CA-O 3.29Å; V174-V271 HydrophobicContact CB-CG2 4.33Å; V174-V271 HydrophobicContact CG1-CG2 4.06Å; V174-V271 HydrophobicContact CG2-CG2 3.92Å; V174-A273 HydrophobicContact CG1-CB 3.56Å
175C98.8Very high97.4Very high7 Ų727 Ų275%0.04716%0.159CC..EExtended strand (participates in β ladder)trans-104.2140.6170.9-52.80000109.8V271 D272 A273C175-V271 PolarHBondContact N-O 3.18Å; C175-D272 VanDerWaalsContact CB-OD1 3.31Å; C175-D272 WeakPolarHBondContact CB-OD1 3.45Å; C175-D272 CarbonylContact O-C 3.48Å; C175-D272 WeakPolarHBondContact O-CA 3.33Å; C175-A273 PolarHBondContact O-N 2.94Å
176P98.4Very high97.3Very high6 Ų626 Ų264%0.03915%0.152CC..EExtended strand (participates in β ladder)trans-75.1163.7169.234.1-34.2000110.3L162 I178 L231 S276 I278L162-P176 HydrophobicContact CD1-CB 4.35Å; P176-I178 PolarHBondContact O-N 3.23Å; P176-L231 WeakPolarHBondContact CD-O 3.39Å; P176-L231 HydrophobicContact CG-CB 3.93Å; P176-L231 HydrophobicContact CG-CD2 4.35Å; P176-S276 CarbonylContact C-O 3.39Å; P176-S276 WeakPolarHBondContact CA-O 2.97Å; P176-S276 WeakPolarHBondContact CB-O 3.33Å; P176-I278 HydrophobicContact CB-CD1 4.18Å; P176-I278 HydrophobicContact CB-CG1 3.98Å; P176-I278 HydrophobicContact CG-CB 4.41Å; P176-I278 HydrophobicContact CG-CD1 3.87Å; P176-I278 HydrophobicContact CG-CG1 4.05Å
177F97.4Very high97.1Very high13 Ų1328.8 Ų28.86%0.05717%0.165CC..EExtended strand (participates in β ladder)trans-66.5129.3159.6-82.622.4000109.6E193 G194 F222 D272 P274 S276 R277 I278F177-E193 WeakPolarHBondContact CE2-O 3.4Å; F177-G194 VanDerWaalsContact CE2-CA 3.45Å; F177-G194 VanDerWaalsContact CE2-N 3.34Å; F177-F222 AromaticContact CE1-CE1 3.58Å; F177-F222 HydrophobicContact CE1-CE1 3.58Å; F177-F222 AromaticContact CE1-CZ 3.79Å; F177-F222 HydrophobicContact CE1-CZ 3.79Å; F177-F222 AromaticContact CZ-CE1 3.74Å; F177-F222 HydrophobicContact CZ-CE1 3.74Å; F177-F222 HydrophobicContact CZ-CZ 4.15Å; F177-D272 HydrophobicContact CE1-CB 4.24Å; F177-P274 HydrophobicContact CE1-CB 3.97Å; F177-P274 HydrophobicContact CE1-CG 3.85Å; F177-P274 HydrophobicContact CE2-CB 3.97Å; F177-P274 HydrophobicContact CZ-CB 3.59Å; F177-P274 HydrophobicContact CZ-CG 3.68Å; F177-S276 PolarHBondContact N-O 2.91Å; F177-R277 HydrophobicContact CB-CG 4.19Å; F177-R277 VanDerWaalsContact CD2-NH1 3.27Å; F177-R277 WeakPolarHBondContact O-CA 3.22Å; F177-I278 PolarHBondContact O-N 2.9Å
178I97.6Very high97.1Very high31 Ų3127.8 Ų27.816%0.15915%0.151CC..EExtended strand (participates in β ladder)trans-91.6107.8177.9-54.7178.9000107.8P176 Q191 A228 L231 I278 H280 Y282P176-I178 PolarHBondContact O-N 3.23Å; I178-Q191 WeakPolarHBondContact O-CB 3.13Å; I178-Q191 PolarHBondContact O-OE1 2.82Å; I178-A228 HydrophobicContact CD1-CB 3.98Å; I178-L231 HydrophobicContact CD1-CD1 4.48Å; I178-L231 HydrophobicContact CG1-CD2 4.48Å; I178-I278 WeakPolarHBondContact CA-O 3.37Å; I178-H280 HydrophobicContact CG2-CB 3.61Å; I178-Y282 HydrophobicContact CG2-CE2 4.35Å
179D97.6Very high97Very high1 Ų128.8 Ų28.81%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-84.6162.6175.3-71.2-32.3000110.8I39 Y188 R189 A190 R277 I278 H280I39-D179 WeakPolarHBondContact CD1-OD2 3.44Å; D179-Y188 HydrophobicContact CB-CD1 4.49Å; D179-Y188 HydrophobicContact CB-CE1 3.66Å; D179-Y188 WeakPolarHBondContact OD2-CE1 3.44Å; D179-Y188 PolarHBondContact OD2-OH 3.39Å; D179-R189 WeakPolarHBondContact CB-O 3.39Å; D179-A190 WeakPolarHBondContact OD1-CA 3.37Å; D179-R277 IonicContact OD1-CZ 3.55Å; D179-R277 VanDerWaalsContact OD1-CZ 3.27Å; D179-R277 IonicContact OD1-NE 3.69Å; D179-R277 PolarHBondContact OD1-NE 3.47Å; D179-R277 VanDerWaalsContact OD1-NE 3.09Å; D179-R277 IonicContact OD1-NH2 2.75Å; D179-R277 PolarHBondContact OD1-NH2 3.42Å; D179-R277 WeakPolarHBondContact OD2-CB 3.28Å; D179-R277 IonicContact OD2-CZ 3.89Å; D179-R277 IonicContact OD2-NE 3.78Å; D179-R277 PolarHBondContact OD2-NE 3.48Å; D179-I278 PolarHBondContact N-O 3.32Å; D179-H280 PolarHBondContact O-N 3.31Å
180V97.1Very high96.8Very high13 Ų1326.8 Ų26.88%0.07913%0.13CC..EExtended strand (participates in β ladder)trans-93.4125.7178177.50000109.4Y188 R189 Q191 Y282V180-Y188 WeakPolarHBondContact O-CA 3.32Å; V180-R189 HydrophobicContact CB-CG 4.03Å; V180-R189 HydrophobicContact CG1-CG 4.46Å; V180-R189 PolarHBondContact N-O 2.93Å; V180-R189 PolarHBondContact O-N 3.32Å; V180-Q191 HydrophobicContact CG2-CB 3.97Å; V180-Q191 HydrophobicContact CG2-CG 4.29Å; V180-Y282 HydrophobicContact CB-CD2 4.2Å; V180-Y282 HydrophobicContact CB-CE2 4.44Å; V180-Y282 HydrophobicContact CG1-CD2 4.08Å; V180-Y282 HydrophobicContact CG2-CD2 3.82Å; V180-Y282 HydrophobicContact CG2-CE2 3.76Å
181I97.8Very high96.5Very high1 Ų126.5 Ų26.51%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-99.9115.4156.4-57168000106.6E153 A183 F186 E187 Y188 H280 I281 Y282E153-I181 HydrophobicContact CB-CD1 3.89Å; E153-I181 HydrophobicContact CG-CD1 3.9Å; I181-A183 PolarHBondContact O-N 3Å; I181-F186 HydrophobicContact CG2-CB 4.38Å; I181-F186 HydrophobicContact CG2-CD1 4.02Å; I181-F186 HydrophobicContact CG2-CG 4.33Å; I181-E187 WeakPolarHBondContact CA-O 3.46Å; I181-Y188 HydrophobicContact CD1-CD2 4.44Å; I181-Y188 HydrophobicContact CG1-CD2 3.99Å; I181-H280 PolarHBondContact N-O 2.92Å; I181-I281 HydrophobicContact CB-CB 4.5Å; I181-I281 HydrophobicContact CB-CG1 3.8Å; I181-I281 HydrophobicContact CD1-CG1 4.19Å; I181-I281 HydrophobicContact CG2-CD1 4.49Å; I181-I281 HydrophobicContact CG2-CG1 3.76Å; I181-I281 WeakPolarHBondContact O-CA 3.42Å; I181-Y282 PolarHBondContact O-N 3.48Å
182D95.4Very high96.1Very high40 Ų4026.6 Ų26.621%0.21413%0.134CC..  trans-63.5132.3-176.6-176.9-100.3000111.7D184 T185 F186 E187D182-D184 VanDerWaalsContact C-N 3.27Å; D182-D184 PolarHBondContact O-N 3.31Å; D182-D184 PolarHBondContact OD1-N 3Å; D182-D184 VanDerWaalsContact OD1-N 3.07Å; D182-T185 WeakPolarHBondContact CB-OG1 3.42Å; D182-T185 PolarHBondContact OD1-N 3.34Å; D182-T185 PolarHBondContact OD1-OG1 3.12Å; D182-F186 WeakPolarHBondContact O-CA 3.44Å; D182-F186 PolarHBondContact O-N 3.07Å; D182-E187 HydrophobicContact CB-CB 4.33Å; D182-E187 PolarHBondContact N-O 3.11Å
183A94.5Very high95.7Very high2 Ų231.4 Ų31.42%0.01716%0.156CC..THydrogen-bonded Turntrans-66-26.8-175.600000113.8F22 S23 I181 Y282 K284F22-A183 CarbonylContact C-O 3.55Å; F22-A183 WeakPolarHBondContact CA-O 3.34Å; F22-A183 HydrophobicContact CB-CB 3.73Å; F22-A183 WeakPolarHBondContact CB-O 3.15Å; S23-A183 PolarHBondContact N-O 3.38Å; I181-A183 PolarHBondContact O-N 3Å; A183-Y282 WeakPolarHBondContact CB-O 3.18Å; A183-K284 HydrophobicContact CB-CB 3.88Å
184D92Very high95.3Very high39 Ų3932.1 Ų32.121%0.20916%0.164CC..THydrogen-bonded Turntrans-94.1-44.4-176.2-66.1-39.9000111V26 D182 K284 Y285V26-D184 WeakPolarHBondContact CG2-O 3.42Å; D182-D184 VanDerWaalsContact C-N 3.27Å; D182-D184 PolarHBondContact O-N 3.31Å; D182-D184 PolarHBondContact OD1-N 3Å; D182-D184 VanDerWaalsContact OD1-N 3.07Å; D184-K284 WeakPolarHBondContact OD2-CD 3.42Å; D184-K284 IonicContact OD2-NZ 3.92Å; D184-K284 PolarHBondContact OD2-NZ 2.97Å; D184-Y285 WeakPolarHBondContact OD1-CE2 3.39Å; D184-Y285 PolarHBondContact OD1-OH 3.34Å; D184-Y285 PolarHBondContact OD2-OH 3.36Å
185T93.6Very high95Very high37 Ų3732.9 Ų32.923%0.22717%0.17CC..THydrogen-bonded Turntrans-108.9-9.6-169.164.30000114.3P2 F3 D182 E187P2-T185 HydrophobicContact CB-CG2 4.15Å; F3-T185 WeakPolarHBondContact CB-O 3.26Å; F3-T185 PolarHBondContact N-O 3.32Å; D182-T185 WeakPolarHBondContact CB-OG1 3.42Å; D182-T185 PolarHBondContact OD1-N 3.34Å; D182-T185 PolarHBondContact OD1-OG1 3.12Å; T185-E187 PolarHBondContact O-N 2.81Å; T185-E187 VanDerWaalsContact O-N 3.16Å; T185-E187 PolarHBondContact OG1-N 3.03Å
186F95.8Very high94.9Very high0 Ų032.7 Ų32.70%017%0.168CC..  trans57.420.9-173.3-84-110.5000114.2F22 S23 V26 S27 I30 R34 T69 I181 D182 Y188 I281F22-F186 HydrophobicContact CD2-CE2 4.25Å; F22-F186 AromaticContact CD2-CZ 3.95Å; F22-F186 HydrophobicContact CD2-CZ 3.95Å; F22-F186 HydrophobicContact CE2-CZ 4.3Å; S23-F186 VanDerWaalsContact O-CE2 3.24Å; S23-F186 WeakPolarHBondContact O-CE2 3.47Å; V26-F186 HydrophobicContact CB-CD2 4.12Å; V26-F186 HydrophobicContact CG1-CB 4.07Å; V26-F186 HydrophobicContact CG1-CD2 3.65Å; V26-F186 HydrophobicContact CG1-CE2 4.48Å; V26-F186 HydrophobicContact CG1-CG 4.11Å; S27-F186 VanDerWaalsContact OG-CE1 3.27Å; S27-F186 WeakPolarHBondContact OG-CE1 3.2Å; S27-F186 VanDerWaalsContact OG-CZ 3.25Å; S27-F186 WeakPolarHBondContact OG-CZ 3.36Å; I30-F186 HydrophobicContact CD1-CB 3.37Å; I30-F186 HydrophobicContact CD1-CD1 4.25Å; I30-F186 HydrophobicContact CD1-CG 3.85Å; R34-F186 PolarHBondContact NH1-O 2.86Å; R34-F186 PolarHBondContact NH2-O 2.97Å; T69-F186 HydrophobicContact CG2-CE1 4.01Å; T69-F186 HydrophobicContact CG2-CZ 4.05Å; I181-F186 HydrophobicContact CG2-CB 4.38Å; I181-F186 HydrophobicContact CG2-CD1 4.02Å; I181-F186 HydrophobicContact CG2-CG 4.33Å; D182-F186 WeakPolarHBondContact O-CA 3.44Å; D182-F186 PolarHBondContact O-N 3.07Å; F186-Y188 PolarHBondContact O-N 2.98Å; F186-I281 HydrophobicContact CD1-CD1 4.38Å; F186-I281 HydrophobicContact CE1-CD1 3.48Å; F186-I281 VanDerWaalsContact CE1-CD1 3.48Å; F186-I281 HydrophobicContact CE1-CG1 4.49Å; F186-I281 HydrophobicContact CZ-CD1 3.68Å
187E96.2Very high94.9Very high66 Ų6632.4 Ų32.431%0.30817%0.166SC..  trans-62.6127.8171.2-177.3173.4-139.300110.4P2 I181 D182 T185P2-E187 HydrophobicContact CB-CB 4.21Å; I181-E187 WeakPolarHBondContact CA-O 3.46Å; D182-E187 HydrophobicContact CB-CB 4.33Å; D182-E187 PolarHBondContact N-O 3.11Å; T185-E187 PolarHBondContact O-N 2.81Å; T185-E187 VanDerWaalsContact O-N 3.16Å; T185-E187 PolarHBondContact OG1-N 3.03Å
188Y96.8Very high94.9Very high25 Ų2531.8 Ų31.810%0.09816%0.164CC..EExtended strand (participates in β ladder)trans-88.1119.5170.8-170.5-66.4000109.4I36 I39 E153 D179 V180 I181 F186 G279I36-Y188 HydrophobicContact CD1-CD2 4.42Å; I36-Y188 HydrophobicContact CD1-CE2 4.05Å; I36-Y188 HydrophobicContact CG2-CD2 4.18Å; I36-Y188 HydrophobicContact CG2-CG 4.5Å; I39-Y188 HydrophobicContact CD1-CD1 4.02Å; I39-Y188 HydrophobicContact CD1-CE1 3.6Å; I39-Y188 HydrophobicContact CG1-CE1 4.11Å; E153-Y188 HydrophobicContact CB-CD2 4.48Å; E153-Y188 HydrophobicContact CB-CE2 4.35Å; D179-Y188 HydrophobicContact CB-CD1 4.49Å; D179-Y188 HydrophobicContact CB-CE1 3.66Å; D179-Y188 WeakPolarHBondContact OD2-CE1 3.44Å; D179-Y188 PolarHBondContact OD2-OH 3.39Å; V180-Y188 WeakPolarHBondContact O-CA 3.32Å; I181-Y188 HydrophobicContact CD1-CD2 4.44Å; I181-Y188 HydrophobicContact CG1-CD2 3.99Å; F186-Y188 PolarHBondContact O-N 2.98Å; Y188-G279 VanDerWaalsContact CE2-CA 3.4Å; Y188-G279 PolarHBondContact OH-N 3.24Å; Y188-G279 VanDerWaalsContact OH-N 3.09Å
189R95.7Very high94.8Very high110 Ų11030.3 Ų30.342%0.41516%0.156SC..EExtended strand (participates in β ladder)trans-144.9156.5179.263.1-179.6-179.982.1-4.4112D179 V180D179-R189 WeakPolarHBondContact CB-O 3.39Å; V180-R189 HydrophobicContact CB-CG 4.03Å; V180-R189 HydrophobicContact CG1-CG 4.46Å; V180-R189 PolarHBondContact N-O 2.93Å; V180-R189 PolarHBondContact O-N 3.32Å
190A95.4Very high94.6Very high31 Ų3131.1 Ų31.126%0.25616%0.16SC..  trans-60.9141.4172.300000110.7I39 D179I39-A190 HydrophobicContact CD1-CB 3.94Å; D179-A190 WeakPolarHBondContact OD1-CA 3.37Å
191Q91.8Very high94.6Very high74 Ų7430.7 Ų30.735%0.34616%0.157SC..SBendtrans-71.4-48.3164.1-175.4168.7-3.500109.8I178 V180 Y282I178-Q191 WeakPolarHBondContact O-CB 3.13Å; I178-Q191 PolarHBondContact O-OE1 2.82Å; V180-Q191 HydrophobicContact CG2-CB 3.97Å; V180-Q191 HydrophobicContact CG2-CG 4.29Å; Q191-Y282 PolarHBondContact OE1-OH 2.89Å
192D89.7Confident94.4Very high56 Ų5632.7 Ų32.730%0.29917%0.166SC..  trans-168.6-167172.651.545.7000110.2G194 R207 R277D192-G194 VanDerWaalsContact C-N 3.3Å; D192-G194 VanDerWaalsContact OD1-CA 3.31Å; D192-G194 WeakPolarHBondContact OD1-CA 3.43Å; D192-G194 PolarHBondContact OD1-N 2.93Å; D192-R207 IonicContact OD1-CZ 3.5Å; D192-R207 IonicContact OD1-NH1 2.98Å; D192-R207 IonicContact OD1-NH2 2.65Å; D192-R207 PolarHBondContact OD1-NH2 3.19Å; D192-R207 IonicContact OD2-CZ 3.43Å; D192-R207 IonicContact OD2-NH1 2.71Å; D192-R207 PolarHBondContact OD2-NH1 3.05Å; D192-R207 IonicContact OD2-NH2 3.03Å; D192-R207 PolarHBondContact OD2-NH2 2.93Å; D192-R277 PolarHBondContact O-NH2 2.98Å
193E90.5Very high94.4Very high108 Ų10830.8 Ų30.851%0.50516%0.156SC..SBendtrans-9325.2176.1-61.8-55.8144.500113.5F177 R210F177-E193 WeakPolarHBondContact CE2-O 3.4Å; E193-R210 PolarHBondContact O-NH1 3.35Å
194G89.8Confident94.3Very high15 Ų1534.8 Ų34.816%0.15517%0.172CC..  trans100.5146174.800000113.5F177 D192F177-G194 VanDerWaalsContact CE2-CA 3.45Å; F177-G194 VanDerWaalsContact CE2-N 3.34Å; D192-G194 VanDerWaalsContact C-N 3.3Å; D192-G194 VanDerWaalsContact OD1-CA 3.31Å; D192-G194 WeakPolarHBondContact OD1-CA 3.43Å; D192-G194 PolarHBondContact OD1-N 2.93Å
195A93.7Very high94.4Very high15 Ų1536.9 Ų36.912%0.12418%0.177CC..  trans-151.8151.117100000108.3R207 L208A195-R207 HydrophobicContact CB-CB 4.03Å; A195-L208 CarbonylContact C-O 3.34Å; A195-L208 WeakPolarHBondContact CB-O 3.22Å
196R96.8Very high94.4Very high4 Ų437.6 Ų37.62%0.01518%0.177CC..EExtended strand (participates in β ladder)trans-81129.9-179.8-60-175.2-58.9143.310109.4R207 L208 P209 L211 F222 D223 D357R196-R207 WeakPolarHBondContact O-CA 3.37Å; R196-L208 HydrophobicContact CB-CB 4.36Å; R196-L208 PolarHBondContact N-O 2.96Å; R196-L208 PolarHBondContact O-N 3.08Å; R196-P209 PolarHBondContact NE-O 2.95Å; R196-L211 VanDerWaalsContact CZ-CD2 3.4Å; R196-L211 VanDerWaalsContact NH2-CD2 3.35Å; R196-F222 HydrophobicContact CG-CD2 3.73Å; R196-F222 HydrophobicContact CG-CE2 3.62Å; R196-D223 WeakPolarHBondContact CD-O 3.4Å; R196-D223 WeakPolarHBondContact CG-O 3.38Å; R196-D357 IonicContact CZ-OD1 2.81Å; R196-D357 IonicContact CZ-OD2 3.09Å; R196-D357 IonicContact NH1-OD1 2.6Å; R196-D357 IonicContact NH2-OD1 2.85Å; R196-D357 PolarHBondContact NH2-OD1 3.32Å; R196-D357 IonicContact NH2-OD2 3.85Å; R196-D357 PolarHBondContact NH2-OD2 2.82Å
197G97.3Very high94.3Very high0 Ų040.1 Ų40.10%019%0.187CC..EExtended strand (participates in β ladder)trans-70143.6179.300000111.7Y205 S224 P225 V226G197-Y205 WeakPolarHBondContact CA-OH 3.25Å; G197-S224 PolarHBondContact N-OG 3.11Å; G197-P225 VanDerWaalsContact O-CD 3.28Å; G197-P225 WeakPolarHBondContact O-CD 3.32Å; G197-V226 CarbonylContact C-O 3.51Å; G197-V226 WeakPolarHBondContact CA-O 3.41Å; G197-V226 WeakPolarHBondContact O-CG2 3.44Å; G197-V226 PolarHBondContact O-N 2.99Å; G197-V226 VanDerWaalsContact O-N 3.17Å
198A97.2Very high94.1Very high0 Ų037.1 Ų37.10%017%0.173CC..EExtended strand (participates in β ladder)trans-146.3-175-17500000111.1K206 L208 V226 L358A198-K206 CarbonylContact C-O 3.32Å; A198-K206 HydrophobicContact CB-CB 4.2Å; A198-K206 PolarHBondContact N-O 2.82Å; A198-K206 PolarHBondContact O-N 3.11Å; A198-L208 HydrophobicContact CB-CB 4.49Å; A198-L208 HydrophobicContact CB-CD1 3.67Å; A198-L208 HydrophobicContact CB-CG 3.59Å; A198-V226 VanDerWaalsContact C-CG2 3.43Å; A198-V226 WeakPolarHBondContact O-CG2 3.25Å; A198-L358 HydrophobicContact CB-CD1 4.49Å
199F96.5Very high93.9Very high0 Ų039.5 Ų39.50%019%0.192CC..EExtended strand (participates in β ladder)trans-144156.9172.555.7-82.8000110.9W201 L203 Y204 V226 Y257 F261 F347 F350 M351 L358F199-W201 HydrophobicContact CE2-CH2 4.39Å; F199-W201 HydrophobicContact CE2-CZ3 4.2Å; F199-L203 HydrophobicContact CD2-CD2 3.83Å; F199-L203 HydrophobicContact CE2-CD2 4.35Å; F199-L203 HydrophobicContact CG-CD2 4.23Å; F199-Y204 WeakPolarHBondContact CA-O 3.36Å; F199-V226 HydrophobicContact CD1-CG1 3.84Å; F199-V226 HydrophobicContact CD1-CG2 4.21Å; F199-V226 HydrophobicContact CE1-CG1 4.02Å; F199-Y257 HydrophobicContact CB-CD1 4.48Å; F199-Y257 HydrophobicContact CB-CE1 3.76Å; F199-Y257 HydrophobicContact CD1-CD1 4.44Å; F199-Y257 HydrophobicContact CD1-CE1 4.42Å; F199-Y257 HydrophobicContact CG-CE1 4.36Å; F199-F261 HydrophobicContact CD1-CZ 4.46Å; F199-F261 AromaticContact CE1-CE1 3.83Å; F199-F261 HydrophobicContact CE1-CE1 3.83Å; F199-F261 AromaticContact CE1-CZ 3.91Å; F199-F261 HydrophobicContact CE1-CZ 3.91Å; F199-F261 HydrophobicContact CZ-CE1 4.27Å; F199-F261 HydrophobicContact CZ-CZ 4.09Å; F199-F347 HydrophobicContact CE2-CZ 4.36Å; F199-F347 AromaticContact CZ-CZ 3.78Å; F199-F347 HydrophobicContact CZ-CZ 3.78Å; F199-F350 HydrophobicContact CE1-CE1 4.07Å; F199-F350 HydrophobicContact CZ-CE1 4.33Å; F199-M351 HydrophobicContact CZ-SD 4.16Å; F199-L358 HydrophobicContact CD1-CD1 3.91Å; F199-L358 HydrophobicContact CD2-CD1 4.33Å; F199-L358 HydrophobicContact CE1-CD1 3.63Å; F199-L358 HydrophobicContact CE2-CD1 4.08Å; F199-L358 HydrophobicContact CG-CD1 4.23Å; F199-L358 HydrophobicContact CZ-CD1 3.7Å
200D94Very high93.8Very high18 Ų1835.8 Ų35.810%0.09618%0.177CC..  trans-90.6172.5160.663.721.8000110.6E202 L203 Y204 K206 Y362D200-E202 PolarHBondContact O-N 2.87Å; D200-E202 WeakPolarHBondContact OD1-CA 3.41Å; D200-E202 WeakPolarHBondContact OD1-CB 3.39Å; D200-E202 PolarHBondContact OD1-N 3.41Å; D200-L203 PolarHBondContact O-N 3.44Å; D200-L203 PolarHBondContact OD1-N 2.91Å; D200-Y204 PolarHBondContact N-O 3.39Å; D200-Y204 VanDerWaalsContact N-O 3.15Å; D200-Y204 WeakPolarHBondContact OD1-CB 3.41Å; D200-Y204 PolarHBondContact OD1-N 2.94Å; D200-K206 HydrophobicContact CB-CG 4.18Å; D200-K206 VanDerWaalsContact CG-CE 3.5Å; D200-K206 WeakPolarHBondContact OD2-CE 3.48Å; D200-K206 IonicContact OD2-NZ 3.91Å; D200-K206 PolarHBondContact OD2-NZ 2.87Å; D200-Y362 HydrophobicContact CB-CD1 4.12Å; D200-Y362 HydrophobicContact CB-CG 4.26Å
201W95.5Very high93.8Very high3 Ų336.2 Ų36.21%0.01118%0.175CC..THydrogen-bonded Turntrans-73.914.1-179.6-60.2101.5000113.7F199 M310 Y313 Y316 L317 R320 F347 M351 L358 V359 Y362 P363 L364F199-W201 HydrophobicContact CE2-CH2 4.39Å; F199-W201 HydrophobicContact CE2-CZ3 4.2Å; W201-M310 HydrophobicContact CE3-CE 4.41Å; W201-M310 HydrophobicContact CZ3-CE 4.19Å; W201-Y313 AromaticContact CH2-CD1 3.52Å; W201-Y313 HydrophobicContact CH2-CD1 3.52Å; W201-Y313 HydrophobicContact CH2-CE1 4.16Å; W201-Y313 HydrophobicContact CH2-CG 4.44Å; W201-Y313 HydrophobicContact CZ2-CD1 4.5Å; W201-Y313 AromaticContact CZ3-CD1 3.75Å; W201-Y313 HydrophobicContact CZ3-CD1 3.75Å; W201-Y313 HydrophobicContact CZ3-CG 4.33Å; W201-Y316 HydrophobicContact CE3-CD2 4.35Å; W201-Y316 HydrophobicContact CE3-CG 4.39Å; W201-Y316 HydrophobicContact CZ3-CD2 4.4Å; W201-L317 VanDerWaalsContact O-CA 3.25Å; W201-L317 WeakPolarHBondContact O-CA 3.4Å; W201-R320 VanDerWaalsContact CB-NH1 3.27Å; W201-F347 HydrophobicContact CH2-CE1 4.43Å; W201-F347 HydrophobicContact CZ3-CE1 4.32Å; W201-M351 HydrophobicContact CH2-CE 3.82Å; W201-M351 HydrophobicContact CH2-SD 4.05Å; W201-M351 HydrophobicContact CZ2-CE 3.9Å; W201-L358 HydrophobicContact CZ2-CD2 3.71Å; W201-V359 HydrophobicContact CZ2-CG1 3.98Å; W201-Y362 PolarHBondContact NE1-O 3.47Å; W201-P363 PolarHBondContact NE1-O 3.11Å; W201-L364 HydrophobicContact CD2-CD2 4.01Å; W201-L364 VanDerWaalsContact CE2-CD2 3.41Å; W201-L364 HydrophobicContact CE3-CD2 4.23Å; W201-L364 HydrophobicContact CH2-CD2 3.38Å; W201-L364 HydrophobicContact CZ2-CD2 3.09Å; W201-L364 HydrophobicContact CZ2-CG 4.07Å; W201-L364 HydrophobicContact CZ3-CD2 3.94Å
202E93.8Very high93.9Very high43 Ų4336.2 Ų36.220%0.20118%0.182CC..THydrogen-bonded Turntrans-104.23.3164-53-161.390.800112.3D200 Y204 R320 R321D200-E202 PolarHBondContact O-N 2.87Å; D200-E202 WeakPolarHBondContact OD1-CA 3.41Å; D200-E202 WeakPolarHBondContact OD1-CB 3.39Å; D200-E202 PolarHBondContact OD1-N 3.41Å; E202-Y204 VanDerWaalsContact C-N 3.27Å; E202-Y204 HydrophobicContact CB-CD2 3.81Å; E202-Y204 HydrophobicContact CB-CE2 3.79Å; E202-Y204 HydrophobicContact CB-CG 4.38Å; E202-Y204 HydrophobicContact CG-CE2 4.4Å; E202-Y204 WeakPolarHBondContact OE2-CE2 3.27Å; E202-R320 HydrophobicContact CG-CB 3.89Å; E202-R320 HydrophobicContact CG-CG 4.39Å; E202-R321 IonicContact OE1-CZ 2.97Å; E202-R321 IonicContact OE1-NE 2.72Å; E202-R321 PolarHBondContact OE1-NE 3.03Å; E202-R321 IonicContact OE1-NH2 2.82Å; E202-R321 PolarHBondContact OE1-NH2 3.29Å; E202-R321 IonicContact OE2-NH2 3.75Å; E202-R321 PolarHBondContact OE2-NH2 2.92Å
203L95.7Very high94.1Very high0 Ų039.2 Ų39.20%019%0.194CC..  trans5836.4-169.2-65.7179.1000112.6F199 D200 Y257 Y302 M310 L317F199-L203 HydrophobicContact CD2-CD2 3.83Å; F199-L203 HydrophobicContact CE2-CD2 4.35Å; F199-L203 HydrophobicContact CG-CD2 4.23Å; D200-L203 PolarHBondContact O-N 3.44Å; D200-L203 PolarHBondContact OD1-N 2.91Å; L203-Y257 HydrophobicContact CB-CD2 4.36Å; L203-Y257 HydrophobicContact CB-CE2 4.03Å; L203-Y257 HydrophobicContact CD2-CD2 4.39Å; L203-Y257 HydrophobicContact CD2-CG 4.44Å; L203-Y257 VanDerWaalsContact O-CE2 3.25Å; L203-Y257 WeakPolarHBondContact O-CE2 3.37Å; L203-Y257 PolarHBondContact O-OH 3.13Å; L203-Y257 VanDerWaalsContact O-OH 3.04Å; L203-Y302 HydrophobicContact CB-CD2 3.74Å; L203-Y302 HydrophobicContact CB-CE2 3.67Å; L203-Y302 HydrophobicContact CB-CG 4.18Å; L203-Y302 HydrophobicContact CD1-CD1 4.36Å; L203-Y302 HydrophobicContact CD1-CD2 4.22Å; L203-Y302 HydrophobicContact CD1-CG 3.93Å; L203-Y302 WeakPolarHBondContact O-CE2 3.08Å; L203-Y302 VanDerWaalsContact O-CZ 3.26Å; L203-Y302 PolarHBondContact O-OH 3.04Å; L203-M310 HydrophobicContact CD1-SD 4.12Å; L203-M310 HydrophobicContact CD2-CE 4.24Å; L203-M310 HydrophobicContact CD2-SD 4.04Å; L203-M310 HydrophobicContact CG-SD 4.43Å; L203-L317 HydrophobicContact CD1-CD2 3.81Å; L203-L317 HydrophobicContact CG-CD1 4.28Å; L203-L317 HydrophobicContact CG-CD2 4.3Å
204Y93.1Very high94.3Very high86 Ų8635.4 Ų35.434%0.33718%0.177SC..  trans-85.8141.4163.1-60.9-41.3000110.7F199 D200 E202 K206 R321F199-Y204 WeakPolarHBondContact CA-O 3.36Å; D200-Y204 PolarHBondContact N-O 3.39Å; D200-Y204 VanDerWaalsContact N-O 3.15Å; D200-Y204 WeakPolarHBondContact OD1-CB 3.41Å; D200-Y204 PolarHBondContact OD1-N 2.94Å; E202-Y204 VanDerWaalsContact C-N 3.27Å; E202-Y204 HydrophobicContact CB-CD2 3.81Å; E202-Y204 HydrophobicContact CB-CE2 3.79Å; E202-Y204 HydrophobicContact CB-CG 4.38Å; E202-Y204 HydrophobicContact CG-CE2 4.4Å; E202-Y204 WeakPolarHBondContact OE2-CE2 3.27Å; Y204-K206 PolarHBondContact O-N 2.72Å; Y204-R321 PolarHBondContact OH-NH2 3.47Å
205Y94.3Very high94.3Very high83 Ų8343.6 Ų43.633%0.32520%0.203SC..EExtended strand (participates in β ladder)trans-68.3131-179.2-176.2-98.1000109.9G197 R207 V226 M227 A228 Y257G197-Y205 WeakPolarHBondContact CA-OH 3.25Å; Y205-R207 HydrophobicContact CE1-CG 3.75Å; Y205-V226 HydrophobicContact CD2-CG2 4.44Å; Y205-V226 HydrophobicContact CE2-CG2 4.23Å; Y205-M227 WeakPolarHBondContact CE2-O 3.41Å; Y205-A228 HydrophobicContact CE1-CB 4.48Å; Y205-A228 HydrophobicContact CE2-CB 4.32Å; Y205-Y257 WeakPolarHBondContact CA-OH 3.31Å; Y205-Y257 PolarHBondContact N-OH 2.92Å
206K93.5Very high94.2Very high52 Ų5250.8 Ų50.823%0.22623%0.228CC..EExtended strand (participates in β ladder)trans-129.8170.8179.1-62.1-60.7177.6-176.60109.3A198 D200 Y204 Y362A198-K206 CarbonylContact C-O 3.32Å; A198-K206 HydrophobicContact CB-CB 4.2Å; A198-K206 PolarHBondContact N-O 2.82Å; A198-K206 PolarHBondContact O-N 3.11Å; D200-K206 HydrophobicContact CB-CG 4.18Å; D200-K206 VanDerWaalsContact CG-CE 3.5Å; D200-K206 WeakPolarHBondContact OD2-CE 3.48Å; D200-K206 IonicContact OD2-NZ 3.91Å; D200-K206 PolarHBondContact OD2-NZ 2.87Å; Y204-K206 PolarHBondContact O-N 2.72Å; K206-Y362 HydrophobicContact CB-CD2 4.49Å; K206-Y362 HydrophobicContact CB-CE2 3.59Å; K206-Y362 WeakPolarHBondContact CB-OH 3.36Å; K206-Y362 HydrophobicContact CD-CE1 4.07Å; K206-Y362 HydrophobicContact CG-CD2 4.47Å; K206-Y362 HydrophobicContact CG-CE1 3.99Å; K206-Y362 HydrophobicContact CG-CE2 3.83Å
207R92.8Very high94.1Very high53 Ų5355.7 Ų55.720%0.225%0.251CS..EExtended strand (participates in β ladder)trans-128133.4174.3-61.8176.475.5-149.4-4.5110D192 A195 R196 Y205 K361D192-R207 IonicContact OD1-CZ 3.5Å; D192-R207 IonicContact OD1-NH1 2.98Å; D192-R207 IonicContact OD1-NH2 2.65Å; D192-R207 PolarHBondContact OD1-NH2 3.19Å; D192-R207 IonicContact OD2-CZ 3.43Å; D192-R207 IonicContact OD2-NH1 2.71Å; D192-R207 PolarHBondContact OD2-NH1 3.05Å; D192-R207 IonicContact OD2-NH2 3.03Å; D192-R207 PolarHBondContact OD2-NH2 2.93Å; A195-R207 HydrophobicContact CB-CB 4.03Å; R196-R207 WeakPolarHBondContact O-CA 3.37Å; Y205-R207 HydrophobicContact CE1-CG 3.75Å; R207-K361 PolarHBondContact O-NZ 3.35Å
208L93.1Very high94Very high3 Ų357 Ų572%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-99.8147.9170-69.2168.4000108.7A195 R196 A198 L358 K361 Y362A195-L208 CarbonylContact C-O 3.34Å; A195-L208 WeakPolarHBondContact CB-O 3.22Å; R196-L208 HydrophobicContact CB-CB 4.36Å; R196-L208 PolarHBondContact N-O 2.96Å; R196-L208 PolarHBondContact O-N 3.08Å; A198-L208 HydrophobicContact CB-CB 4.49Å; A198-L208 HydrophobicContact CB-CD1 3.67Å; A198-L208 HydrophobicContact CB-CG 3.59Å; L208-L358 HydrophobicContact CD1-CB 4.34Å; L208-K361 HydrophobicContact CD2-CB 3.98Å; L208-K361 HydrophobicContact CD2-CD 3.85Å; L208-Y362 HydrophobicContact CD2-CE2 4.42Å
209P92.7Very high93.9Very high76 Ų7658.1 Ų58.149%0.49427%0.265SS..PPolyproline II helixtrans-58.9154.8171.528-34.5000110.7R196R196-P209 PolarHBondContact NE-O 2.95Å
210R94Very high93.9Very high32 Ų3261.9 Ų61.912%0.12128%0.282CS..PPolyproline II helixtrans-56.5149.9163.8-68.8177.9691694.1109.8E193 D214 P218 F222E193-R210 PolarHBondContact O-NH1 3.35Å; R210-D214 HydrophobicContact CB-CB 4.03Å; R210-D214 PolarHBondContact NH2-O 3.28Å; R210-D214 VanDerWaalsContact NH2-O 3.14Å; R210-P218 PolarHBondContact NH1-O 3.41Å; R210-F222 HydrophobicContact CG-CD2 4.45Å; R210-F222 HydrophobicContact CG-CE1 4.13Å; R210-F222 HydrophobicContact CG-CE2 4.09Å; R210-F222 HydrophobicContact CG-CZ 3.9Å
211L95Very high94.1Very high40 Ų4062.7 Ų62.721%0.20929%0.288CS..PPolyproline II helixtrans-65.9151.7175.7-64.6179.3000109.7R196 E213 D214 F356R196-L211 VanDerWaalsContact CZ-CD2 3.4Å; R196-L211 VanDerWaalsContact NH2-CD2 3.35Å; L211-E213 WeakPolarHBondContact CB-OE2 3.07Å; L211-E213 PolarHBondContact O-N 3.16Å; L211-E213 VanDerWaalsContact O-N 3.14Å; L211-D214 PolarHBondContact N-OD2 2.69Å; L211-D214 WeakPolarHBondContact O-CB 3.44Å; L211-D214 PolarHBondContact O-N 2.95Å; L211-D214 VanDerWaalsContact O-N 3.08Å; L211-F356 HydrophobicContact CD1-CE1 4.36Å; L211-F356 HydrophobicContact CD1-CZ 4.01Å; L211-F356 HydrophobicContact CD2-CE2 4.22Å; L211-F356 HydrophobicContact CD2-CZ 3.59Å; L211-F356 HydrophobicContact CG-CZ 4.47Å
212P93.9Very high94.2Very high74 Ų7462.7 Ų62.748%0.48129%0.289SS..G310 helixtrans-52.1-35.8179.4-28.136.3000113.4D214 R215P212-D214 VanDerWaalsContact C-N 3.33Å; P212-D214 PolarHBondContact O-N 2.78Å; P212-R215 VanDerWaalsContact O-CB 3.31Å; P212-R215 WeakPolarHBondContact O-CB 3.25Å; P212-R215 WeakPolarHBondContact O-CG 3.42Å; P212-R215 PolarHBondContact O-N 3.42Å
213E93.6Very high94.4Very high118 Ų11863.5 Ų63.555%0.55129%0.294SS*.G310 helixtrans-66.8-33.5-178.3-6070.6-150.800112.1L211 R215 Y216L211-E213 WeakPolarHBondContact CB-OE2 3.07Å; L211-E213 PolarHBondContact O-N 3.16Å; L211-E213 VanDerWaalsContact O-N 3.14Å; E213-R215 PolarHBondContact O-N 2.93Å; E213-R215 VanDerWaalsContact O-N 3.11Å; E213-Y216 VanDerWaalsContact O-CD2 3.29Å; E213-Y216 WeakPolarHBondContact O-CD2 3.43Å; E213-Y216 PolarHBondContact O-N 3.11Å
214D93.5Very high94.5Very high29 Ų2963.5 Ų63.516%0.15530%0.295CS..G310 helixtrans-64.1-19.4179.1-59.6-34.9000112.2R210 L211 P212 Y216 H217 F222R210-D214 HydrophobicContact CB-CB 4.03Å; R210-D214 PolarHBondContact NH2-O 3.28Å; R210-D214 VanDerWaalsContact NH2-O 3.14Å; L211-D214 PolarHBondContact N-OD2 2.69Å; L211-D214 WeakPolarHBondContact O-CB 3.44Å; L211-D214 PolarHBondContact O-N 2.95Å; L211-D214 VanDerWaalsContact O-N 3.08Å; P212-D214 VanDerWaalsContact C-N 3.33Å; P212-D214 PolarHBondContact O-N 2.78Å; D214-Y216 VanDerWaalsContact C-N 3.3Å; D214-Y216 PolarHBondContact O-N 3.03Å; D214-H217 CarbonylContact O-C 3.58Å; D214-H217 PolarHBondContact O-N 2.9Å; D214-F222 HydrophobicContact CB-CB 4.43Å; D214-F222 WeakPolarHBondContact OD1-CB 3.23Å
215R89.8Confident94.8Very high187 Ų18759.5 Ų59.571%0.70628%0.279SS*.G310 helixtrans-71-25179.5-60.7-179.3178.8-176-0.5112.9P212 E213 H217P212-R215 VanDerWaalsContact O-CB 3.31Å; P212-R215 WeakPolarHBondContact O-CB 3.25Å; P212-R215 WeakPolarHBondContact O-CG 3.42Å; P212-R215 PolarHBondContact O-N 3.42Å; E213-R215 PolarHBondContact O-N 2.93Å; E213-R215 VanDerWaalsContact O-N 3.11Å; R215-H217 VanDerWaalsContact C-N 3.29Å
216Y93.4Very high95Very high166 Ų16655.5 Ų55.565%0.65126%0.263SS*.THydrogen-bonded Turntrans-72.6-28.3178.6-61-68.6000111.9R43 E213 D214R43-Y216 PolarHBondContact NH1-O 2.68Å; E213-Y216 VanDerWaalsContact O-CD2 3.29Å; E213-Y216 WeakPolarHBondContact O-CD2 3.43Å; E213-Y216 PolarHBondContact O-N 3.11Å; D214-Y216 VanDerWaalsContact C-N 3.3Å; D214-Y216 PolarHBondContact O-N 3.03Å
217H94.3Very high95.2Very high107 Ų10753.1 Ų53.150%0.49525%0.253SS..  trans-129.467.8-177.8-60.5-69.3000111D214 R215 E219 E220D214-H217 CarbonylContact O-C 3.58Å; D214-H217 PolarHBondContact O-N 2.9Å; R215-H217 VanDerWaalsContact C-N 3.29Å; H217-E219 PolarHBondContact O-N 2.59Å; H217-E219 VanDerWaalsContact O-N 3.08Å; H217-E220 HydrophobicContact CB-CB 3.96Å; H217-E220 HydrophobicContact CB-CG 3.74Å; H217-E220 PolarHBondContact O-N 3.1Å
218P94.6Very high95.3Very high26 Ų2652.6 Ų52.617%0.16926%0.26CS..THydrogen-bonded Turntrans-61.2-21.7-174.325.6-35.7000114H41 R210 P274H41-P218 VanDerWaalsContact CE1-CG 3.46Å; H41-P218 WeakPolarHBondContact CE1-CG 3.45Å; R210-P218 PolarHBondContact NH1-O 3.41Å; P218-P274 WeakPolarHBondContact O-CB 3.33Å; P218-P274 WeakPolarHBondContact O-CG 3.03Å
219E95.7Very high95.4Very high24 Ų2452.6 Ų52.611%0.11226%0.26CS..THydrogen-bonded Turntrans-84.1-16.9177.269.5-77.6-176.900115.2R43 H217 C275R43-E219 HydrophobicContact CB-CB 4.05Å; R43-E219 HydrophobicContact CB-CG 4Å; R43-E219 WeakPolarHBondContact CD-OE2 3.47Å; R43-E219 IonicContact NH1-OE1 3.34Å; R43-E219 IonicContact NH1-OE2 3.48Å; H217-E219 PolarHBondContact O-N 2.59Å; H217-E219 VanDerWaalsContact O-N 3.08Å; E219-C275 PolarHBondContact O-SG 3.49Å; E219-C275 VanDerWaalsContact O-SG 3.33Å
220E96.5Very high95.5Very high79 Ų7949.5 Ų49.537%0.36924%0.243SC..SBendtrans-84.3143-176.2-68.4-56.6137.400111.5K47 H217 P274K47-E220 IonicContact NZ-OE1 2.78Å; K47-E220 PolarHBondContact NZ-OE1 3.28Å; K47-E220 IonicContact NZ-OE2 3.97Å; K47-E220 PolarHBondContact NZ-OE2 3.42Å; H217-E220 HydrophobicContact CB-CB 3.96Å; H217-E220 HydrophobicContact CB-CG 3.74Å; H217-E220 PolarHBondContact O-N 3.1Å; E220-P274 WeakPolarHBondContact O-CD 3.28Å; E220-P274 WeakPolarHBondContact O-CG 3.45Å
221P97.7Very high95.7Very high35 Ų3548.1 Ų48.123%0.22724%0.238CC..  trans-58.6139.2171.8-22.433000112P165 V271 D272 A273P165-P221 HydrophobicContact CG-CG 4.1Å; P221-V271 HydrophobicContact CB-CB 4.04Å; P221-V271 HydrophobicContact CB-CG2 3.91Å; P221-D272 WeakPolarHBondContact CA-O 3.33Å; P221-A273 HydrophobicContact CG-CB 4.32Å
222F97.7Very high95.9Very high4 Ų446.3 Ų46.32%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-125.8154.5179.760.2-94.6000111.4F177 R196 R210 D214 V271 D272 P274F177-F222 AromaticContact CE1-CE1 3.58Å; F177-F222 HydrophobicContact CE1-CE1 3.58Å; F177-F222 AromaticContact CE1-CZ 3.79Å; F177-F222 HydrophobicContact CE1-CZ 3.79Å; F177-F222 AromaticContact CZ-CE1 3.74Å; F177-F222 HydrophobicContact CZ-CE1 3.74Å; F177-F222 HydrophobicContact CZ-CZ 4.15Å; R196-F222 HydrophobicContact CG-CD2 3.73Å; R196-F222 HydrophobicContact CG-CE2 3.62Å; R210-F222 HydrophobicContact CG-CD2 4.45Å; R210-F222 HydrophobicContact CG-CE1 4.13Å; R210-F222 HydrophobicContact CG-CE2 4.09Å; R210-F222 HydrophobicContact CG-CZ 3.9Å; D214-F222 HydrophobicContact CB-CB 4.43Å; D214-F222 WeakPolarHBondContact OD1-CB 3.23Å; F222-V271 CarbonylContact O-C 3.56Å; F222-V271 WeakPolarHBondContact O-CA 3.46Å; F222-V271 WeakPolarHBondContact O-CB 3.39Å; F222-D272 HydrophobicContact CD2-CB 4.38Å; F222-D272 HydrophobicContact CE1-CB 4.08Å; F222-D272 HydrophobicContact CE2-CB 3.74Å; F222-D272 HydrophobicContact CZ-CB 3.58Å; F222-D272 PolarHBondContact N-O 3.44Å; F222-D272 VanDerWaalsContact N-O 3.11Å; F222-D272 PolarHBondContact O-N 2.91Å; F222-P274 HydrophobicContact CD1-CG 4.11Å; F222-P274 HydrophobicContact CE1-CG 3.98Å
223D97.8Very high96.1Very high59 Ų5942.8 Ų42.832%0.31621%0.205SC..EExtended strand (participates in β ladder)trans-69.6134.2-177-71.3-9.8000111.7R196 W264 R269 V271R196-D223 WeakPolarHBondContact CD-O 3.4Å; R196-D223 WeakPolarHBondContact CG-O 3.38Å; D223-W264 HydrophobicContact CB-CH2 4.04Å; D223-W264 HydrophobicContact CB-CZ2 4.11Å; D223-R269 IonicContact OD1-CZ 2.67Å; D223-R269 IonicContact OD1-NE 3.95Å; D223-R269 PolarHBondContact OD1-NE 3.36Å; D223-R269 IonicContact OD1-NH2 3.27Å; D223-R269 PolarHBondContact OD1-NH2 3.1Å; D223-R269 IonicContact OD2-NE 3.49Å; D223-R269 IonicContact OD2-NH2 3.09Å; D223-V271 WeakPolarHBondContact OD1-CG1 3.34Å
224S98Very high96.3Very high1 Ų137.1 Ų37.11%0.00718%0.179CC..  trans-123.3127.8179.2-153.90000108.8G197 W264 M270 D272G197-S224 PolarHBondContact N-OG 3.11Å; S224-W264 PolarHBondContact O-NE1 3.41Å; S224-M270 PolarHBondContact N-O 3.28Å; S224-M270 WeakPolarHBondContact O-CE 3.39Å; S224-D272 VanDerWaalsContact CB-OD2 3.3Å; S224-D272 WeakPolarHBondContact CB-OD2 2.86Å; S224-D272 PolarHBondContact OG-OD2 3.15Å
225P98.5Very high96.6Very high1 Ų136 Ų361%0.00617%0.173CC..SBendtrans-65.5-45.7-178.8-26.834.5000114.4G197 W264 M270 F350 I354 A355G197-P225 VanDerWaalsContact O-CD 3.28Å; G197-P225 WeakPolarHBondContact O-CD 3.32Å; P225-W264 PolarHBondContact O-NE1 3.07Å; P225-M270 VanDerWaalsContact C-CE 3.49Å; P225-M270 WeakPolarHBondContact O-CE 3.33Å; P225-F350 HydrophobicContact CB-CZ 4.02Å; P225-I354 HydrophobicContact CB-CG2 4.25Å; P225-I354 HydrophobicContact CG-CG2 4.47Å; P225-A355 HydrophobicContact CB-CB 4.15Å; P225-A355 HydrophobicContact CG-CB 4.44Å
226V98.4Very high97Very high0 Ų028 Ų280%015%0.147CC..SBendtrans-134.8144.4176.9-59.80000111G197 A198 F199 Y205 Y257 S260 F261 M270 F350G197-V226 CarbonylContact C-O 3.51Å; G197-V226 WeakPolarHBondContact CA-O 3.41Å; G197-V226 WeakPolarHBondContact O-CG2 3.44Å; G197-V226 PolarHBondContact O-N 2.99Å; G197-V226 VanDerWaalsContact O-N 3.17Å; A198-V226 VanDerWaalsContact C-CG2 3.43Å; A198-V226 WeakPolarHBondContact O-CG2 3.25Å; F199-V226 HydrophobicContact CD1-CG1 3.84Å; F199-V226 HydrophobicContact CD1-CG2 4.21Å; F199-V226 HydrophobicContact CE1-CG1 4.02Å; Y205-V226 HydrophobicContact CD2-CG2 4.44Å; Y205-V226 HydrophobicContact CE2-CG2 4.23Å; V226-Y257 HydrophobicContact CB-CD1 4.28Å; V226-Y257 HydrophobicContact CG1-CD1 4.14Å; V226-Y257 HydrophobicContact CG2-CD1 4.44Å; V226-Y257 HydrophobicContact CG2-CE1 4.24Å; V226-S260 WeakPolarHBondContact CA-OG 3.28Å; V226-F261 HydrophobicContact CG1-CE1 3.87Å; V226-M270 VanDerWaalsContact C-CE 3.46Å; V226-M270 VanDerWaalsContact CA-CE 3.49Å; V226-F350 HydrophobicContact CG1-CZ 4.36Å
227M98Very high97.3Very high1 Ų125.6 Ų25.61%0.00514%0.14CC..  trans-84.6158.817764.5179.372.700110.7V173 Y205 G229 F232 Q256 L259 S260 I263 M270V173-M227 HydrophobicContact CG1-CE 3.9Å; Y205-M227 WeakPolarHBondContact CE2-O 3.41Å; M227-G229 PolarHBondContact O-N 2.83Å; M227-F232 HydrophobicContact CE-CD2 4.45Å; M227-F232 HydrophobicContact CE-CG 4.43Å; M227-F232 HydrophobicContact SD-CB 4.37Å; M227-F232 HydrophobicContact SD-CD1 3.83Å; M227-F232 HydrophobicContact SD-CD2 4.44Å; M227-F232 HydrophobicContact SD-CE1 4.19Å; M227-F232 HydrophobicContact SD-CG 3.97Å; M227-Q256 HydrophobicContact CG-CB 4.14Å; M227-L259 HydrophobicContact CE-CD2 4.06Å; M227-L259 HydrophobicContact CE-CG 4.2Å; M227-L259 HydrophobicContact SD-CD2 4.34Å; M227-S260 PolarHBondContact N-OG 3.13Å; M227-I263 HydrophobicContact CE-CD1 3.65Å; M227-M270 HydrophobicContact CB-CE 4.41Å; M227-M270 HydrophobicContact CB-SD 3.86Å; M227-M270 HydrophobicContact CE-SD 3.42Å; M227-M270 WeakPolarHBondContact CE-SD 3.39Å; M227-M270 HydrophobicContact CG-SD 4.31Å
228A96.1Very high97.5Very high43 Ų4320.5 Ų20.536%0.35512%0.116SC..  trans-65.1-32.1167.800000111.8I178 Y205I178-A228 HydrophobicContact CD1-CB 3.98Å; Y205-A228 HydrophobicContact CE1-CB 4.48Å; Y205-A228 HydrophobicContact CE2-CB 4.32Å
229G93.8Very high97.7Very high2 Ų219.2 Ų19.22%0.02111%0.108CC..SBendtrans101.3-24.2171.500000115.5K133 M227K133-G229 PolarHBondContact NZ-O 2.89Å; M227-G229 PolarHBondContact O-N 2.83Å
230G94.6Very high97.8Very high12 Ų1223.2 Ų23.212%0.12412%0.122CC..SBendtrans-66-51.8178.900000112.7K133K133-G230 PolarHBondContact NZ-O 3.32Å
231L98.3Very high97.9Very high3 Ų322.9 Ų22.92%0.01612%0.121CC..SBendtrans-123.3116.5-169.1-68.569.6000111.5F147 L148 D149 P176 I178 I278F147-L231 VanDerWaalsContact O-CA 3.27Å; F147-L231 WeakPolarHBondContact O-CA 3.23Å; L148-L231 HydrophobicContact CD2-CB 4.2Å; L148-L231 HydrophobicContact CD2-CD2 4.02Å; L148-L231 HydrophobicContact CD2-CG 3.83Å; D149-L231 HydrophobicContact CB-CD1 4.38Å; P176-L231 WeakPolarHBondContact CD-O 3.39Å; P176-L231 HydrophobicContact CG-CB 3.93Å; P176-L231 HydrophobicContact CG-CD2 4.35Å; I178-L231 HydrophobicContact CD1-CD1 4.48Å; I178-L231 HydrophobicContact CG1-CD2 4.48Å; L231-I278 HydrophobicContact CD2-CB 3.65Å; L231-I278 HydrophobicContact CD2-CD1 4.2Å; L231-I278 HydrophobicContact CD2-CG1 4.47Å; L231-I278 HydrophobicContact CD2-CG2 3.44Å; L231-I278 VanDerWaalsContact CD2-CG2 3.44Å
232F98.8Very high97.9Very high1 Ų121.2 Ų21.20%0.00411%0.11CC..EExtended strand (participates in β ladder)trans-163.5161.9175.866.6-81.6000112.2I146 F147 V173 V174 M227 I234 Y245 L259I146-F232 WeakPolarHBondContact CA-O 3.42Å; F147-F232 HydrophobicContact CB-CD1 4.15Å; F147-F232 HydrophobicContact CB-CE1 3.84Å; F147-F232 HydrophobicContact CB-CZ 4.29Å; F147-F232 HydrophobicContact CD2-CD1 4.24Å; F147-F232 HydrophobicContact CD2-CD2 4.08Å; F147-F232 AromaticContact CD2-CE1 3.58Å; F147-F232 HydrophobicContact CD2-CE1 3.58Å; F147-F232 AromaticContact CD2-CE2 3.4Å; F147-F232 HydrophobicContact CD2-CE2 3.4Å; F147-F232 VanDerWaalsContact CD2-CE2 3.4Å; F147-F232 HydrophobicContact CD2-CG 4.47Å; F147-F232 AromaticContact CD2-CZ 3.11Å; F147-F232 HydrophobicContact CD2-CZ 3.11Å; F147-F232 HydrophobicContact CE2-CE1 4.4Å; F147-F232 AromaticContact CE2-CE2 3.69Å; F147-F232 HydrophobicContact CE2-CE2 3.69Å; F147-F232 AromaticContact CE2-CZ 3.53Å; F147-F232 HydrophobicContact CE2-CZ 3.53Å; F147-F232 AromaticContact CG-CE1 3.9Å; F147-F232 HydrophobicContact CG-CE1 3.9Å; F147-F232 HydrophobicContact CG-CE2 4.48Å; F147-F232 AromaticContact CG-CZ 3.85Å; F147-F232 HydrophobicContact CG-CZ 3.85Å; F147-F232 PolarHBondContact N-O 3.18Å; F147-F232 PolarHBondContact O-N 3.21Å; V173-F232 HydrophobicContact CG1-CB 4.48Å; V173-F232 HydrophobicContact CG1-CD2 3.97Å; V174-F232 CarbonylContact O-C 3.58Å; V174-F232 WeakPolarHBondContact O-CA 3.33Å; M227-F232 HydrophobicContact CE-CD2 4.45Å; M227-F232 HydrophobicContact CE-CG 4.43Å; M227-F232 HydrophobicContact SD-CB 4.37Å; M227-F232 HydrophobicContact SD-CD1 3.83Å; M227-F232 HydrophobicContact SD-CD2 4.44Å; M227-F232 HydrophobicContact SD-CE1 4.19Å; M227-F232 HydrophobicContact SD-CG 3.97Å; F232-I234 HydrophobicContact CD2-CB 4.36Å; F232-I234 HydrophobicContact CD2-CG2 4.17Å; F232-I234 HydrophobicContact CE2-CB 4.31Å; F232-I234 HydrophobicContact CE2-CG2 3.74Å; F232-Y245 VanDerWaalsContact CE1-OH 3.27Å; F232-Y245 WeakPolarHBondContact CE1-OH 3.5Å; F232-Y245 VanDerWaalsContact CZ-OH 3.25Å; F232-Y245 WeakPolarHBondContact CZ-OH 3.19Å; F232-L259 HydrophobicContact CE1-CD2 4.5Å; F232-L259 HydrophobicContact CE2-CD2 3.66Å; F232-L259 HydrophobicContact CZ-CD2 3.63Å
233A98.9Very high97.9Very high0 Ų022.6 Ų22.60%013%0.125CC..EExtended strand (participates in β ladder)trans-118.7136.1172.600000111.4V144 L145 I146 L162 I166 V173 V174V144-A233 HydrophobicContact CG1-CB 4.01Å; L145-A233 WeakPolarHBondContact O-CA 3.24Å; I146-A233 HydrophobicContact CG1-CB 3.94Å; L162-A233 HydrophobicContact CD1-CB 4.19Å; L162-A233 HydrophobicContact CD2-CB 3.73Å; L162-A233 HydrophobicContact CG-CB 3.6Å; I166-A233 HydrophobicContact CD1-CB 3.61Å; V173-A233 WeakPolarHBondContact CA-O 3.4Å; V173-A233 WeakPolarHBondContact CG1-O 3.29Å; V174-A233 PolarHBondContact N-O 3.44Å; V174-A233 PolarHBondContact O-N 3.31Å
234I98.9Very high97.9Very high0 Ų019.8 Ų19.80%011%0.11CC..EExtended strand (participates in β ladder)trans-143.6140.7178.6-177.3165.6000109.3V144 L145 F147 V173 F232 A236 W238 F239 L242V144-I234 WeakPolarHBondContact CA-O 3.35Å; V144-I234 WeakPolarHBondContact CG1-O 3.47Å; L145-I234 HydrophobicContact CB-CG2 4.16Å; L145-I234 PolarHBondContact N-O 3.49Å; L145-I234 PolarHBondContact O-N 3.21Å; F147-I234 HydrophobicContact CE2-CG2 4.16Å; V173-I234 HydrophobicContact CG1-CB 4.38Å; V173-I234 HydrophobicContact CG2-CB 4.07Å; V173-I234 HydrophobicContact CG2-CD1 3.62Å; V173-I234 HydrophobicContact CG2-CG1 3.72Å; F232-I234 HydrophobicContact CD2-CB 4.36Å; F232-I234 HydrophobicContact CD2-CG2 4.17Å; F232-I234 HydrophobicContact CE2-CB 4.31Å; F232-I234 HydrophobicContact CE2-CG2 3.74Å; I234-A236 PolarHBondContact O-N 3.12Å; I234-W238 HydrophobicContact CD1-CG 4.48Å; I234-W238 HydrophobicContact CG1-CB 4.3Å; I234-F239 HydrophobicContact CD1-CB 3.95Å; I234-F239 HydrophobicContact CD1-CD2 4.21Å; I234-F239 HydrophobicContact CG1-CB 4.18Å; I234-F239 HydrophobicContact CG2-CB 4.06Å; I234-F239 HydrophobicContact CG2-CD2 4.11Å; I234-F239 HydrophobicContact CG2-CG 4.41Å; I234-L242 HydrophobicContact CD1-CD1 4.38Å
235S98.9Very high97.9Very high6 Ų620 Ų204%0.04211%0.11CC..EExtended strand (participates in β ladder)trans-60.1137172.273.50000110.2E143 Y170 K237 W238 F239E143-S235 WeakPolarHBondContact O-CA 3.49Å; Y170-S235 WeakPolarHBondContact O-CB 3.48Å; Y170-S235 PolarHBondContact O-OG 3.38Å; S235-K237 PolarHBondContact O-N 3.34Å; S235-W238 PolarHBondContact O-N 2.84Å; S235-W238 WeakPolarHBondContact OG-CB 3.16Å; S235-W238 PolarHBondContact OG-N 2.75Å; S235-F239 PolarHBondContact O-N 3.49Å
236A98.8Very high97.9Very high17 Ų1720.2 Ų20.214%0.1411%0.112CC..Hα-helixtrans-56.4-39.2178.100000110.6E143 L145 I234 F239 W240E143-A236 PolarHBondContact O-N 3.25Å; L145-A236 HydrophobicContact CD1-CB 4.38Å; L145-A236 HydrophobicContact CD2-CB 4.04Å; L145-A236 HydrophobicContact CG-CB 3.93Å; I234-A236 PolarHBondContact O-N 3.12Å; A236-F239 PolarHBondContact O-N 2.93Å; A236-W240 PolarHBondContact O-N 3.43Å; A236-W240 VanDerWaalsContact O-N 3.1Å
237K98.7Very high97.8Very high116 Ų11624.1 Ų24.150%0.50414%0.137SC..Hα-helixtrans-54.6-53.4172.7-180176.4175.3179.20112.1Y170 S235 W240 E241Y170-K237 HydrophobicContact CD2-CB 4.32Å; Y170-K237 HydrophobicContact CD2-CD 3.85Å; Y170-K237 HydrophobicContact CD2-CG 4.06Å; Y170-K237 HydrophobicContact CE2-CD 3.7Å; Y170-K237 HydrophobicContact CE2-CG 3.92Å; S235-K237 PolarHBondContact O-N 3.34Å; K237-W240 PolarHBondContact O-N 3.25Å; K237-E241 WeakPolarHBondContact CE-OE1 3.46Å; K237-E241 WeakPolarHBondContact CG-OE1 3.46Å; K237-E241 WeakPolarHBondContact O-CG 3.12Å; K237-E241 PolarHBondContact O-N 3.47Å
238W98.6Very high97.7Very high0 Ų024.8 Ų24.80%015%0.145CC..Hα-helixtrans-68.8-38.3-177.5-172.2-133.2000112.5Y170 K171 I234 S235 W240 E241 L242 C266Y170-W238 HydrophobicContact CD2-CB 4.1Å; Y170-W238 HydrophobicContact CE2-CB 4.47Å; Y170-W238 HydrophobicContact CE2-CE3 4.44Å; Y170-W238 WeakPolarHBondContact O-CB 3.44Å; K171-W238 HydrophobicContact CB-CD2 4.06Å; K171-W238 HydrophobicContact CB-CG 4.3Å; K171-W238 HydrophobicContact CB-CZ2 4.45Å; K171-W238 HydrophobicContact CD-CD2 4.27Å; K171-W238 HydrophobicContact CD-CE3 3.93Å; K171-W238 HydrophobicContact CD-CH2 3.94Å; K171-W238 HydrophobicContact CD-CZ2 4.2Å; K171-W238 HydrophobicContact CD-CZ3 3.79Å; K171-W238 HydrophobicContact CG-CD2 3.81Å; K171-W238 HydrophobicContact CG-CE3 3.8Å; K171-W238 HydrophobicContact CG-CG 4.29Å; K171-W238 HydrophobicContact CG-CZ2 4.48Å; K171-W238 HydrophobicContact CG-CZ3 4.2Å; K171-W238 PolarHBondContact O-NE1 3.09Å; I234-W238 HydrophobicContact CD1-CG 4.48Å; I234-W238 HydrophobicContact CG1-CB 4.3Å; S235-W238 PolarHBondContact O-N 2.84Å; S235-W238 WeakPolarHBondContact OG-CB 3.16Å; S235-W238 PolarHBondContact OG-N 2.75Å; W238-W240 VanDerWaalsContact C-N 3.3Å; W238-W240 PolarHBondContact O-N 3.5Å; W238-E241 HydrophobicContact CE3-CB 3.73Å; W238-E241 HydrophobicContact CZ3-CB 3.96Å; W238-E241 WeakPolarHBondContact CZ3-OE2 3.49Å; W238-E241 PolarHBondContact O-N 2.82Å; W238-L242 HydrophobicContact CD2-CD1 4.27Å; W238-L242 HydrophobicContact CD2-CG 4.04Å; W238-L242 HydrophobicContact CE3-CG 4.41Å; W238-L242 HydrophobicContact CG-CD1 4.4Å; W238-L242 HydrophobicContact CH2-CD2 3.7Å; W238-L242 HydrophobicContact CH2-CG 4.26Å; W238-L242 HydrophobicContact CZ2-CD1 4.17Å; W238-L242 HydrophobicContact CZ2-CD2 3.52Å; W238-L242 HydrophobicContact CZ2-CG 3.91Å; W238-L242 HydrophobicContact CZ3-CD2 4.31Å; W238-L242 HydrophobicContact CZ3-CG 4.5Å; W238-L242 WeakPolarHBondContact O-CB 3.46Å; W238-L242 WeakPolarHBondContact O-CG 3.4Å; W238-L242 PolarHBondContact O-N 2.65Å; W238-C266 WeakPolarHBondContact CH2-O 3.05Å
239F98.7Very high97.7Very high0 Ų022.8 Ų22.80%013%0.128CC..Hα-helixtrans-55.6-45.6174.8-175.6-103000111.5A137 L145 F147 I234 S235 A236 L242 G243 G244 Y245A137-F239 HydrophobicContact CB-CD1 4.3Å; A137-F239 HydrophobicContact CB-CE1 3.69Å; A137-F239 HydrophobicContact CB-CZ 4.3Å; L145-F239 HydrophobicContact CD1-CB 4.06Å; L145-F239 HydrophobicContact CD1-CD1 3.75Å; L145-F239 HydrophobicContact CD1-CE1 4.38Å; L145-F239 HydrophobicContact CD1-CG 3.94Å; F147-F239 HydrophobicContact CE2-CE2 4.42Å; F147-F239 HydrophobicContact CZ-CE2 4.3Å; F147-F239 HydrophobicContact CZ-CZ 4.3Å; I234-F239 HydrophobicContact CD1-CB 3.95Å; I234-F239 HydrophobicContact CD1-CD2 4.21Å; I234-F239 HydrophobicContact CG1-CB 4.18Å; I234-F239 HydrophobicContact CG2-CB 4.06Å; I234-F239 HydrophobicContact CG2-CD2 4.11Å; I234-F239 HydrophobicContact CG2-CG 4.41Å; S235-F239 PolarHBondContact O-N 3.49Å; A236-F239 PolarHBondContact O-N 2.93Å; F239-L242 PolarHBondContact O-N 2.71Å; F239-G243 PolarHBondContact O-N 2.95Å; F239-G244 WeakPolarHBondContact O-CA 3.36Å; F239-G244 PolarHBondContact O-N 2.89Å; F239-Y245 HydrophobicContact CE2-CD2 4.28Å; F239-Y245 HydrophobicContact CE2-CE2 4.37Å; F239-Y245 HydrophobicContact CZ-CD2 4.18Å
240W98.3Very high97.8Very high107 Ų10723 Ų2341%0.40513%0.129SC..Hα-helixtrans-77.5-30.8179.1-64.9122.7000114.1A137 R138 A236 K237 W238 L242 G243A137-W240 HydrophobicContact CB-CH2 4.24Å; A137-W240 HydrophobicContact CB-CZ2 3.91Å; A137-W240 WeakPolarHBondContact O-CZ2 3.17Å; R138-W240 HydrophobicContact CG-CH2 3.6Å; R138-W240 HydrophobicContact CG-CZ2 4.04Å; A236-W240 PolarHBondContact O-N 3.43Å; A236-W240 VanDerWaalsContact O-N 3.1Å; K237-W240 PolarHBondContact O-N 3.25Å; W238-W240 VanDerWaalsContact C-N 3.3Å; W238-W240 PolarHBondContact O-N 3.5Å; W240-L242 VanDerWaalsContact C-N 3.26Å; W240-L242 PolarHBondContact O-N 3.24Å; W240-G243 WeakPolarHBondContact O-CA 3.48Å; W240-G243 PolarHBondContact O-N 2.87Å
241E97.9Very high97.7Very high73 Ų7322.9 Ų22.934%0.34113%0.125SC..Hα-helixtrans-61.6-35.5170.1-78.3-179.7-168.200111.9K237 W238 G243K237-E241 WeakPolarHBondContact CE-OE1 3.46Å; K237-E241 WeakPolarHBondContact CG-OE1 3.46Å; K237-E241 WeakPolarHBondContact O-CG 3.12Å; K237-E241 PolarHBondContact O-N 3.47Å; W238-E241 HydrophobicContact CE3-CB 3.73Å; W238-E241 HydrophobicContact CZ3-CB 3.96Å; W238-E241 WeakPolarHBondContact CZ3-OE2 3.49Å; W238-E241 PolarHBondContact O-N 2.82Å; E241-G243 PolarHBondContact O-N 3.04Å
242L98.3Very high97.5Very high0 Ų029 Ų290%015%0.148CC..THydrogen-bonded Turntrans-75.9-2.4172.3-68.5179.7000114I234 W238 F239 W240 G244 L259 K262 I263 C266 L342I234-L242 HydrophobicContact CD1-CD1 4.38Å; W238-L242 HydrophobicContact CD2-CD1 4.27Å; W238-L242 HydrophobicContact CD2-CG 4.04Å; W238-L242 HydrophobicContact CE3-CG 4.41Å; W238-L242 HydrophobicContact CG-CD1 4.4Å; W238-L242 HydrophobicContact CH2-CD2 3.7Å; W238-L242 HydrophobicContact CH2-CG 4.26Å; W238-L242 HydrophobicContact CZ2-CD1 4.17Å; W238-L242 HydrophobicContact CZ2-CD2 3.52Å; W238-L242 HydrophobicContact CZ2-CG 3.91Å; W238-L242 HydrophobicContact CZ3-CD2 4.31Å; W238-L242 HydrophobicContact CZ3-CG 4.5Å; W238-L242 WeakPolarHBondContact O-CB 3.46Å; W238-L242 WeakPolarHBondContact O-CG 3.4Å; W238-L242 PolarHBondContact O-N 2.65Å; F239-L242 PolarHBondContact O-N 2.71Å; W240-L242 VanDerWaalsContact C-N 3.26Å; W240-L242 PolarHBondContact O-N 3.24Å; L242-G244 VanDerWaalsContact C-N 3.34Å; L242-L259 HydrophobicContact CD1-CD1 4.02Å; L242-K262 HydrophobicContact CB-CD 4.45Å; L242-K262 HydrophobicContact CD1-CB 4.28Å; L242-K262 HydrophobicContact CD2-CB 4.12Å; L242-K262 WeakPolarHBondContact O-CE 3.41Å; L242-K262 PolarHBondContact O-NZ 3.14Å; L242-K262 VanDerWaalsContact O-NZ 3.16Å; L242-I263 HydrophobicContact CD1-CG1 3.91Å; L242-C266 HydrophobicContact CD2-CB 4.04Å; L242-L342 HydrophobicContact CD2-CD1 3.96Å
243G97.6Very high97.3Very high32 Ų3229 Ų2933%0.3315%0.148SC..THydrogen-bonded Turntrans76.416.1-177.100000114.7F239 W240 E241F239-G243 PolarHBondContact O-N 2.95Å; W240-G243 WeakPolarHBondContact O-CA 3.48Å; W240-G243 PolarHBondContact O-N 2.87Å; E241-G243 PolarHBondContact O-N 3.04Å
244G97.7Very high97.2Very high1 Ų129 Ų291%0.0115%0.148CC..SBendtrans62.8-157.2-17200000112.4F239 L242 K262F239-G244 WeakPolarHBondContact O-CA 3.36Å; F239-G244 PolarHBondContact O-N 2.89Å; L242-G244 VanDerWaalsContact C-N 3.34Å; G244-K262 PolarHBondContact O-NZ 3.48Å
245Y98.1Very high97.2Very high4 Ų429.2 Ų29.22%0.01615%0.149CC..SBendtrans-69.6147.9167.7-72.6-59.7000111.2I130 K133 F232 F239 P247 E255 L259I130-Y245 HydrophobicContact CG2-CD2 4.19Å; I130-Y245 HydrophobicContact CG2-CG 3.98Å; K133-Y245 HydrophobicContact CB-CD2 4.43Å; K133-Y245 HydrophobicContact CB-CE2 4.04Å; K133-Y245 HydrophobicContact CD-CE2 3.96Å; F232-Y245 VanDerWaalsContact CE1-OH 3.27Å; F232-Y245 WeakPolarHBondContact CE1-OH 3.5Å; F232-Y245 VanDerWaalsContact CZ-OH 3.25Å; F232-Y245 WeakPolarHBondContact CZ-OH 3.19Å; F239-Y245 HydrophobicContact CE2-CD2 4.28Å; F239-Y245 HydrophobicContact CE2-CE2 4.37Å; F239-Y245 HydrophobicContact CZ-CD2 4.18Å; Y245-P247 VanDerWaalsContact O-CD 3.3Å; Y245-P247 WeakPolarHBondContact O-CD 3.24Å; Y245-P247 VanDerWaalsContact O-N 3.14Å; Y245-E255 HydrophobicContact CD1-CB 3.81Å; Y245-E255 HydrophobicContact CE1-CB 3.65Å; Y245-E255 HydrophobicContact CE1-CG 3.96Å; Y245-E255 WeakPolarHBondContact CE1-O 3.47Å; Y245-L259 HydrophobicContact CD1-CB 4.29Å; Y245-L259 HydrophobicContact CE1-CB 3.76Å; Y245-L259 HydrophobicContact CE1-CD2 3.79Å; Y245-L259 HydrophobicContact CE1-CG 4.34Å
246D98.1Very high97.1Very high6 Ų629.3 Ų29.33%0.03215%0.149CC..  trans-56.8115.4168.9171.724.2000111.1G248 L249 E258 R304 Q335D246-G248 PolarHBondContact O-N 3.34Å; D246-G248 PolarHBondContact OD1-N 3.38Å; D246-L249 HydrophobicContact CB-CD1 4.03Å; D246-L249 HydrophobicContact CB-CG 3.89Å; D246-L249 WeakPolarHBondContact O-CB 3.41Å; D246-L249 PolarHBondContact O-N 2.91Å; D246-E258 HydrophobicContact CB-CG 4.43Å; D246-E258 WeakPolarHBondContact CB-OE1 3.47Å; D246-E258 PolarHBondContact N-OE1 2.98Å; D246-R304 VanDerWaalsContact CG-NH2 3.25Å; D246-R304 IonicContact OD1-CZ 3.83Å; D246-R304 IonicContact OD1-NE 4Å; D246-R304 IonicContact OD1-NH2 2.86Å; D246-R304 PolarHBondContact OD1-NH2 3.01Å; D246-R304 IonicContact OD2-CZ 3.17Å; D246-R304 IonicContact OD2-NE 2.74Å; D246-R304 PolarHBondContact OD2-NE 3.49Å; D246-R304 IonicContact OD2-NH2 2.83Å; D246-R304 PolarHBondContact OD2-NH2 3.29Å; D246-Q335 HydrophobicContact CB-CG 4.02Å; D246-Q335 WeakPolarHBondContact OD1-CG 3.45Å; D246-Q335 PolarHBondContact OD1-NE2 3.04Å; D246-Q335 VanDerWaalsContact OD1-NE2 3.08Å
247P96.4Very high97.1Very high82 Ų8228.5 Ų28.553%0.53214%0.142SC..THydrogen-bonded Turntrans-65.8-13.4-17828.1-36.2000113.2Y245 L249Y245-P247 VanDerWaalsContact O-CD 3.3Å; Y245-P247 WeakPolarHBondContact O-CD 3.24Å; Y245-P247 VanDerWaalsContact O-N 3.14Å; P247-L249 VanDerWaalsContact C-N 3.34Å
248G96.3Very high97.1Very high16 Ų1623 Ų2317%0.16512%0.119CC..THydrogen-bonded Turntrans-79.6-11.4173.100000114.4D246 R300 R304D246-G248 PolarHBondContact O-N 3.34Å; D246-G248 PolarHBondContact OD1-N 3.38Å; G248-R300 PolarHBondContact O-NH1 3.12Å; G248-R304 WeakPolarHBondContact O-CD 3.38Å
249L96.9Very high97.1Very high0 Ų023 Ų230%012%0.119CC..  trans-76.4138.3170.2-56.7174.1000110.1I130 D246 P247 E255 E258 N301 R304 V305I130-L249 HydrophobicContact CD1-CB 3.59Å; I130-L249 HydrophobicContact CG2-CB 4.22Å; D246-L249 HydrophobicContact CB-CD1 4.03Å; D246-L249 HydrophobicContact CB-CG 3.89Å; D246-L249 WeakPolarHBondContact O-CB 3.41Å; D246-L249 PolarHBondContact O-N 2.91Å; P247-L249 VanDerWaalsContact C-N 3.34Å; L249-E255 HydrophobicContact CD1-CB 4.12Å; L249-E258 HydrophobicContact CD1-CB 4.13Å; L249-E258 HydrophobicContact CD1-CG 4.14Å; L249-N301 WeakPolarHBondContact CA-OD1 3.33Å; L249-N301 HydrophobicContact CD2-CB 3.72Å; L249-R304 HydrophobicContact CD2-CB 4.16Å; L249-V305 HydrophobicContact CD2-CG2 4.29Å
250V94.4Very high97.1Very high6 Ų623 Ų234%0.03612%0.119CC..  trans-128.9150.5-173.9-55.20000112.2W252 F294 F297 N301V250-W252 PolarHBondContact O-N 2.99Å; V250-F294 HydrophobicContact CG1-CE1 4.35Å; V250-F294 HydrophobicContact CG2-CD1 3.99Å; V250-F294 HydrophobicContact CG2-CE1 4.43Å; V250-F294 HydrophobicContact CG2-CG 4.21Å; V250-F297 HydrophobicContact CG2-CB 3.63Å; V250-N301 PolarHBondContact N-ND2 3.19Å; V250-N301 PolarHBondContact N-OD1 3.05Å; V250-N301 VanDerWaalsContact N-OD1 3.12Å; V250-N301 PolarHBondContact O-ND2 2.98Å
251I93.9Very high97.1Very high10 Ų1018 Ų185%0.05110%0.099CC..BIsolated β-bridgetrans61.4-86176.7-51.2-56.9000113.5G127 G128 L129 A292 F294 F297G127-I251 PolarHBondContact O-N 3.4Å; G128-I251 CarbonylContact C-O 3.29Å; G128-I251 WeakPolarHBondContact CA-O 3.34Å; L129-I251 WeakPolarHBondContact CB-O 3.45Å; L129-I251 PolarHBondContact N-O 3.24Å; I251-A292 HydrophobicContact CB-CB 4.45Å; I251-A292 HydrophobicContact CD1-CB 3.59Å; I251-A292 HydrophobicContact CG1-CB 3.69Å; I251-A292 HydrophobicContact CG2-CB 3.92Å; I251-F294 HydrophobicContact CD1-CD2 3.98Å; I251-F294 HydrophobicContact CD1-CE2 4.47Å; I251-F294 HydrophobicContact CG1-CB 4.31Å; I251-F294 HydrophobicContact CG1-CD2 3.97Å; I251-F294 HydrophobicContact CG1-CG 4.36Å; I251-F297 HydrophobicContact CB-CD1 4.36Å; I251-F297 HydrophobicContact CB-CD2 3.79Å; I251-F297 HydrophobicContact CB-CE1 4.39Å; I251-F297 HydrophobicContact CB-CE2 3.83Å; I251-F297 HydrophobicContact CB-CG 4.08Å; I251-F297 HydrophobicContact CB-CZ 4.14Å; I251-F297 HydrophobicContact CG1-CD1 4.38Å; I251-F297 HydrophobicContact CG1-CG 4.33Å; I251-F297 HydrophobicContact CG2-CD2 4.22Å; I251-F297 HydrophobicContact CG2-CE1 4.12Å; I251-F297 HydrophobicContact CG2-CE2 3.73Å; I251-F297 HydrophobicContact CG2-CZ 3.68Å
252W94.3Very high97.1Very high133 Ų13314.5 Ų14.550%0.5048%0.083SC..SBendtrans-161.4152.7-172.3179.185.3000110.2V250 F297 V298 N301V250-W252 PolarHBondContact O-N 2.99Å; W252-F297 HydrophobicContact CB-CE2 4.3Å; W252-F297 WeakPolarHBondContact O-CD2 3.42Å; W252-F297 VanDerWaalsContact O-CE2 3.28Å; W252-F297 WeakPolarHBondContact O-CE2 3.45Å; W252-V298 HydrophobicContact CE3-CG2 4.4Å; W252-N301 PolarHBondContact O-ND2 3.13Å
253G93.9Very high97.2Very high0 Ų014.5 Ų14.50%08%0.083CC..SBendtrans9113217300000112.3E255 N301G253-E255 WeakPolarHBondContact CA-OE2 3.17Å; G253-E255 PolarHBondContact N-OE2 2.85Å; G253-N301 WeakPolarHBondContact O-CB 2.99Å; G253-N301 PolarHBondContact O-ND2 3.39Å
254G96.7Very high97.2Very high0 Ų013.6 Ų13.60%07%0.07CC..SBendtrans100.5-29.9177.200000112.7Q256 Y257 E258G254-Q256 VanDerWaalsContact C-N 3.28Å; G254-Q256 PolarHBondContact O-N 2.65Å; G254-Y257 PolarHBondContact O-N 3.15Å; G254-E258 WeakPolarHBondContact O-CB 3.42Å; G254-E258 PolarHBondContact O-N 2.87Å
255E97.8Very high97.3Very high4 Ų413.6 Ų13.62%0.0197%0.07CC..Hα-helixtrans-62.6-34.1-176.578.5-72.7179.300113.1I130 Y245 L249 G253 L259I130-E255 HydrophobicContact CD1-CB 3.87Å; I130-E255 HydrophobicContact CD1-CG 4.36Å; I130-E255 HydrophobicContact CG1-CB 3.87Å; I130-E255 HydrophobicContact CG1-CG 3.96Å; I130-E255 HydrophobicContact CG2-CB 4.19Å; Y245-E255 HydrophobicContact CD1-CB 3.81Å; Y245-E255 HydrophobicContact CE1-CB 3.65Å; Y245-E255 HydrophobicContact CE1-CG 3.96Å; Y245-E255 WeakPolarHBondContact CE1-O 3.47Å; L249-E255 HydrophobicContact CD1-CB 4.12Å; G253-E255 WeakPolarHBondContact CA-OE2 3.17Å; G253-E255 PolarHBondContact N-OE2 2.85Å; E255-L259 WeakPolarHBondContact O-CB 3.19Å; E255-L259 PolarHBondContact O-N 2.84Å
256Q97.8Very high97.3Very high8 Ų813.9 Ų13.94%0.0377%0.072CC..Hα-helixtrans-67.6-39.3178.375.8-79.233.400111.4M227 G254 S260M227-Q256 HydrophobicContact CG-CB 4.14Å; G254-Q256 VanDerWaalsContact C-N 3.28Å; G254-Q256 PolarHBondContact O-N 2.65Å; Q256-S260 VanDerWaalsContact O-CB 3.25Å; Q256-S260 WeakPolarHBondContact O-CB 3.34Å; Q256-S260 PolarHBondContact O-N 2.95Å; Q256-S260 VanDerWaalsContact O-N 3.07Å; Q256-S260 PolarHBondContact O-OG 3.07Å
257Y98.6Very high97.3Very high0 Ų016 Ų160%010%0.095CC..Hα-helixtrans-71.7-45.2176.6-57.2-56.7000110.9F199 L203 Y205 V226 G254 L259 S260 F261 Y302F199-Y257 HydrophobicContact CB-CD1 4.48Å; F199-Y257 HydrophobicContact CB-CE1 3.76Å; F199-Y257 HydrophobicContact CD1-CD1 4.44Å; F199-Y257 HydrophobicContact CD1-CE1 4.42Å; F199-Y257 HydrophobicContact CG-CE1 4.36Å; L203-Y257 HydrophobicContact CB-CD2 4.36Å; L203-Y257 HydrophobicContact CB-CE2 4.03Å; L203-Y257 HydrophobicContact CD2-CD2 4.39Å; L203-Y257 HydrophobicContact CD2-CG 4.44Å; L203-Y257 VanDerWaalsContact O-CE2 3.25Å; L203-Y257 WeakPolarHBondContact O-CE2 3.37Å; L203-Y257 PolarHBondContact O-OH 3.13Å; L203-Y257 VanDerWaalsContact O-OH 3.04Å; Y205-Y257 WeakPolarHBondContact CA-OH 3.31Å; Y205-Y257 PolarHBondContact N-OH 2.92Å; V226-Y257 HydrophobicContact CB-CD1 4.28Å; V226-Y257 HydrophobicContact CG1-CD1 4.14Å; V226-Y257 HydrophobicContact CG2-CD1 4.44Å; V226-Y257 HydrophobicContact CG2-CE1 4.24Å; G254-Y257 PolarHBondContact O-N 3.15Å; Y257-L259 PolarHBondContact O-N 3.45Å; Y257-S260 PolarHBondContact O-N 2.92Å; Y257-F261 WeakPolarHBondContact O-CB 3.47Å; Y257-F261 WeakPolarHBondContact O-CD2 3.14Å; Y257-F261 WeakPolarHBondContact O-CG 3.48Å; Y257-F261 PolarHBondContact O-N 3.03Å; Y257-Y302 HydrophobicContact CD2-CE1 4.44Å; Y257-Y302 HydrophobicContact CE2-CE1 4.22Å
258E98.6Very high97.4Very high2 Ų212.6 Ų12.61%0.0098%0.075CC..Hα-helixtrans-54.7-51.2178.6-168.6-95.7-178.100111.8D246 L249 G254 F261 K262 V305D246-E258 HydrophobicContact CB-CG 4.43Å; D246-E258 WeakPolarHBondContact CB-OE1 3.47Å; D246-E258 PolarHBondContact N-OE1 2.98Å; L249-E258 HydrophobicContact CD1-CB 4.13Å; L249-E258 HydrophobicContact CD1-CG 4.14Å; G254-E258 WeakPolarHBondContact O-CB 3.42Å; G254-E258 PolarHBondContact O-N 2.87Å; E258-F261 PolarHBondContact O-N 3.21Å; E258-K262 WeakPolarHBondContact O-CB 3.3Å; E258-K262 WeakPolarHBondContact O-CG 3.2Å; E258-K262 PolarHBondContact O-N 2.77Å; E258-K262 WeakPolarHBondContact OE1-CD 3.04Å; E258-K262 WeakPolarHBondContact OE1-CE 3.42Å; E258-K262 IonicContact OE1-NZ 2.69Å; E258-K262 PolarHBondContact OE1-NZ 2.82Å; E258-K262 IonicContact OE2-NZ 3.65Å; E258-V305 HydrophobicContact CB-CG2 3.78Å; E258-V305 HydrophobicContact CG-CG2 4.27Å
259L98.6Very high97.5Very high0 Ų017 Ų170%09%0.086CC..Hα-helixtrans-70.5-41.1-179.6-17659.4000111.6M227 F232 L242 Y245 E255 Y257 F261 K262 I263M227-L259 HydrophobicContact CE-CD2 4.06Å; M227-L259 HydrophobicContact CE-CG 4.2Å; M227-L259 HydrophobicContact SD-CD2 4.34Å; F232-L259 HydrophobicContact CE1-CD2 4.5Å; F232-L259 HydrophobicContact CE2-CD2 3.66Å; F232-L259 HydrophobicContact CZ-CD2 3.63Å; L242-L259 HydrophobicContact CD1-CD1 4.02Å; Y245-L259 HydrophobicContact CD1-CB 4.29Å; Y245-L259 HydrophobicContact CE1-CB 3.76Å; Y245-L259 HydrophobicContact CE1-CD2 3.79Å; Y245-L259 HydrophobicContact CE1-CG 4.34Å; E255-L259 WeakPolarHBondContact O-CB 3.19Å; E255-L259 PolarHBondContact O-N 2.84Å; Y257-L259 PolarHBondContact O-N 3.45Å; L259-F261 VanDerWaalsContact C-N 3.34Å; L259-F261 PolarHBondContact O-N 3.17Å; L259-K262 WeakPolarHBondContact O-CB 3.3Å; L259-K262 PolarHBondContact O-N 2.8Å; L259-I263 HydrophobicContact CD1-CD1 4.22Å; L259-I263 HydrophobicContact CD1-CG1 4.26Å; L259-I263 HydrophobicContact CG-CD1 3.82Å; L259-I263 HydrophobicContact CG-CG1 4.38Å; L259-I263 VanDerWaalsContact O-CD1 3.3Å; L259-I263 WeakPolarHBondContact O-CD1 3.32Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 2.96Å
260S98.8Very high97.6Very high0 Ų017 Ų170%09%0.086CC..Hα-helixtrans-60.3-42.1175.7-72.60000112.8V226 M227 Q256 Y257 I263 W264 M270V226-S260 WeakPolarHBondContact CA-OG 3.28Å; M227-S260 PolarHBondContact N-OG 3.13Å; Q256-S260 VanDerWaalsContact O-CB 3.25Å; Q256-S260 WeakPolarHBondContact O-CB 3.34Å; Q256-S260 PolarHBondContact O-N 2.95Å; Q256-S260 VanDerWaalsContact O-N 3.07Å; Q256-S260 PolarHBondContact O-OG 3.07Å; Y257-S260 PolarHBondContact O-N 2.92Å; S260-I263 PolarHBondContact O-N 3.17Å; S260-W264 PolarHBondContact O-N 2.99Å; S260-W264 VanDerWaalsContact O-N 3.13Å; S260-M270 WeakPolarHBondContact OG-CE 3.3Å; S260-M270 PolarHBondContact OG-SD 2.73Å; S260-M270 VanDerWaalsContact OG-SD 3.34Å
261F98.8Very high97.8Very high0 Ų016.8 Ų16.80%09%0.085CC..Hα-helixtrans-66.1-45176.4-61.7-21.5000111.3F199 V226 Y257 E258 L259 I263 W264 M265 V305 W309 M310 F347 F350F199-F261 HydrophobicContact CD1-CZ 4.46Å; F199-F261 AromaticContact CE1-CE1 3.83Å; F199-F261 HydrophobicContact CE1-CE1 3.83Å; F199-F261 AromaticContact CE1-CZ 3.91Å; F199-F261 HydrophobicContact CE1-CZ 3.91Å; F199-F261 HydrophobicContact CZ-CE1 4.27Å; F199-F261 HydrophobicContact CZ-CZ 4.09Å; V226-F261 HydrophobicContact CG1-CE1 3.87Å; Y257-F261 WeakPolarHBondContact O-CB 3.47Å; Y257-F261 WeakPolarHBondContact O-CD2 3.14Å; Y257-F261 WeakPolarHBondContact O-CG 3.48Å; Y257-F261 PolarHBondContact O-N 3.03Å; E258-F261 PolarHBondContact O-N 3.21Å; L259-F261 VanDerWaalsContact C-N 3.34Å; L259-F261 PolarHBondContact O-N 3.17Å; F261-I263 PolarHBondContact O-N 3.24Å; F261-W264 PolarHBondContact O-N 2.79Å; F261-M265 HydrophobicContact CB-SD 3.87Å; F261-M265 WeakPolarHBondContact O-CB 3.15Å; F261-M265 VanDerWaalsContact O-CG 3.28Å; F261-M265 WeakPolarHBondContact O-CG 3.42Å; F261-M265 PolarHBondContact O-N 3.46Å; F261-V305 HydrophobicContact CD2-CG1 3.83Å; F261-V305 HydrophobicContact CE2-CG1 3.78Å; F261-W309 HydrophobicContact CB-CB 4.05Å; F261-W309 HydrophobicContact CB-CD2 4.39Å; F261-W309 HydrophobicContact CB-CG 4.19Å; F261-W309 HydrophobicContact CD2-CB 3.73Å; F261-W309 HydrophobicContact CD2-CG 4.41Å; F261-W309 HydrophobicContact CG-CB 4.3Å; F261-M310 HydrophobicContact CE2-CG 4.07Å; F261-F347 AromaticContact CD1-CE2 3.95Å; F261-F347 HydrophobicContact CD1-CE2 3.95Å; F261-F347 HydrophobicContact CD2-CE2 4.13Å; F261-F347 AromaticContact CE1-CE2 3.68Å; F261-F347 HydrophobicContact CE1-CE2 3.68Å; F261-F347 HydrophobicContact CE1-CZ 4.22Å; F261-F347 AromaticContact CE2-CE2 3.85Å; F261-F347 HydrophobicContact CE2-CE2 3.85Å; F261-F347 HydrophobicContact CE2-CZ 4.43Å; F261-F347 HydrophobicContact CG-CE2 4.18Å; F261-F347 AromaticContact CZ-CE2 3.63Å; F261-F347 HydrophobicContact CZ-CE2 3.63Å; F261-F347 AromaticContact CZ-CZ 3.98Å; F261-F347 HydrophobicContact CZ-CZ 3.98Å; F261-F350 HydrophobicContact CD1-CD1 4.5Å; F261-F350 HydrophobicContact CD1-CE1 4.1Å; F261-F350 HydrophobicContact CD1-CE2 4.38Å; F261-F350 HydrophobicContact CD1-CZ 4.03Å; F261-F350 HydrophobicContact CE1-CD1 4.44Å; F261-F350 AromaticContact CE1-CE1 3.77Å; F261-F350 HydrophobicContact CE1-CE1 3.77Å; F261-F350 AromaticContact CE1-CZ 3.91Å; F261-F350 HydrophobicContact CE1-CZ 3.91Å
262K98.6Very high98Very high0 Ų017 Ų170%09%0.086CC..Hα-helixtrans-52.4-51.4171.6-84.8177.9166.6176.50112.1L242 G244 E258 L259 C266 W309 Q335L242-K262 HydrophobicContact CB-CD 4.45Å; L242-K262 HydrophobicContact CD1-CB 4.28Å; L242-K262 HydrophobicContact CD2-CB 4.12Å; L242-K262 WeakPolarHBondContact O-CE 3.41Å; L242-K262 PolarHBondContact O-NZ 3.14Å; L242-K262 VanDerWaalsContact O-NZ 3.16Å; G244-K262 PolarHBondContact O-NZ 3.48Å; E258-K262 WeakPolarHBondContact O-CB 3.3Å; E258-K262 WeakPolarHBondContact O-CG 3.2Å; E258-K262 PolarHBondContact O-N 2.77Å; E258-K262 WeakPolarHBondContact OE1-CD 3.04Å; E258-K262 WeakPolarHBondContact OE1-CE 3.42Å; E258-K262 IonicContact OE1-NZ 2.69Å; E258-K262 PolarHBondContact OE1-NZ 2.82Å; E258-K262 IonicContact OE2-NZ 3.65Å; L259-K262 WeakPolarHBondContact O-CB 3.3Å; L259-K262 PolarHBondContact O-N 2.8Å; K262-C266 WeakPolarHBondContact O-CB 3.45Å; K262-C266 PolarHBondContact O-N 2.81Å; K262-C266 PolarHBondContact O-SG 3.2Å; K262-W309 HydrophobicContact CD-CZ2 4.03Å; K262-W309 HydrophobicContact CG-CH2 3.53Å; K262-W309 HydrophobicContact CG-CZ2 3.28Å; K262-W309 HydrophobicContact CG-CZ3 4.25Å; K262-Q335 VanDerWaalsContact NZ-OE1 3.16Å
263I98.8Very high98.2Very high0 Ų010.8 Ų10.80%06%0.063CC..Hα-helixtrans-57.4-56.8-177.5-68.1156.5000110.4V173 M227 L242 L259 S260 F261 G268 R269 M270V173-I263 HydrophobicContact CB-CD1 3.76Å; V173-I263 HydrophobicContact CB-CG1 4.46Å; V173-I263 HydrophobicContact CG1-CD1 3.88Å; V173-I263 HydrophobicContact CG2-CD1 3.46Å; V173-I263 VanDerWaalsContact CG2-CD1 3.46Å; V173-I263 HydrophobicContact CG2-CG1 3.72Å; V173-I263 HydrophobicContact CG2-CG2 4.14Å; M227-I263 HydrophobicContact CE-CD1 3.65Å; L242-I263 HydrophobicContact CD1-CG1 3.91Å; L259-I263 HydrophobicContact CD1-CD1 4.22Å; L259-I263 HydrophobicContact CD1-CG1 4.26Å; L259-I263 HydrophobicContact CG-CD1 3.82Å; L259-I263 HydrophobicContact CG-CG1 4.38Å; L259-I263 VanDerWaalsContact O-CD1 3.3Å; L259-I263 WeakPolarHBondContact O-CD1 3.32Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 2.96Å; S260-I263 PolarHBondContact O-N 3.17Å; F261-I263 PolarHBondContact O-N 3.24Å; I263-G268 CarbonylContact O-C 3.54Å; I263-G268 WeakPolarHBondContact O-CA 3.32Å; I263-G268 PolarHBondContact O-N 2.92Å; I263-R269 WeakPolarHBondContact CG2-O 3.37Å; I263-M270 HydrophobicContact CD1-SD 4.17Å; I263-M270 HydrophobicContact CG2-CB 4.1Å
264W98.8Very high98.4Very high14 Ų1411 Ų115%0.0537%0.065CC..Hα-helixtrans-69-48.2-175.3-79.6116.7000112.7D223 S224 P225 S260 F261 C266 R269 M270 W349 F350 I354D223-W264 HydrophobicContact CB-CH2 4.04Å; D223-W264 HydrophobicContact CB-CZ2 4.11Å; S224-W264 PolarHBondContact O-NE1 3.41Å; P225-W264 PolarHBondContact O-NE1 3.07Å; S260-W264 PolarHBondContact O-N 2.99Å; S260-W264 VanDerWaalsContact O-N 3.13Å; F261-W264 PolarHBondContact O-N 2.79Å; W264-C266 VanDerWaalsContact C-N 3.31Å; W264-C266 PolarHBondContact O-N 3.46Å; W264-R269 HydrophobicContact CH2-CG 3.74Å; W264-R269 HydrophobicContact CZ3-CB 4.37Å; W264-R269 HydrophobicContact CZ3-CG 4Å; W264-M270 HydrophobicContact CZ2-CB 4.17Å; W264-M270 VanDerWaalsContact CZ2-O 3.29Å; W264-M270 WeakPolarHBondContact CZ2-O 3.21Å; W264-W349 HydrophobicContact CB-CZ3 4.42Å; W264-W349 WeakPolarHBondContact O-CH2 3.33Å; W264-W349 WeakPolarHBondContact O-CZ3 3.32Å; W264-F350 HydrophobicContact CB-CD2 3.78Å; W264-F350 HydrophobicContact CB-CE2 4.05Å; W264-F350 AromaticContact CD1-CE2 3.67Å; W264-F350 HydrophobicContact CG-CD2 4.15Å; W264-F350 AromaticContact CG-CE2 3.99Å; W264-F350 HydrophobicContact CG-CE2 3.99Å; W264-I354 HydrophobicContact CB-CG1 4.42Å; W264-I354 HydrophobicContact CD2-CB 4.47Å; W264-I354 HydrophobicContact CD2-CD1 3.98Å; W264-I354 HydrophobicContact CD2-CG1 3.94Å; W264-I354 HydrophobicContact CD2-CG2 3.72Å; W264-I354 HydrophobicContact CE3-CD1 3.41Å; W264-I354 VanDerWaalsContact CE3-CD1 3.41Å; W264-I354 HydrophobicContact CE3-CG1 3.83Å; W264-I354 HydrophobicContact CE3-CG2 4.29Å; W264-I354 HydrophobicContact CG-CG1 4.24Å; W264-I354 HydrophobicContact CG-CG2 3.98Å; W264-I354 HydrophobicContact CH2-CD1 4.08Å; W264-I354 HydrophobicContact CH2-CG2 4.45Å; W264-I354 HydrophobicContact CZ2-CG2 3.93Å; W264-I354 HydrophobicContact CZ3-CD1 3.48Å; W264-I354 VanDerWaalsContact CZ3-CD1 3.48Å; W264-I354 HydrophobicContact CZ3-CG1 4.35Å
265M98.8Very high98.4Very high1 Ų111.1 Ų11.11%0.0057%0.065CC..Hα-helixtrans-72-27.4-173.3-63.2165.962.500111.7F261 W309 C344 K345 F347 F350F261-M265 HydrophobicContact CB-SD 3.87Å; F261-M265 WeakPolarHBondContact O-CB 3.15Å; F261-M265 VanDerWaalsContact O-CG 3.28Å; F261-M265 WeakPolarHBondContact O-CG 3.42Å; F261-M265 PolarHBondContact O-N 3.46Å; M265-W309 HydrophobicContact CE-CE3 3.93Å; M265-W309 WeakPolarHBondContact CE-O 3.19Å; M265-W309 HydrophobicContact SD-CE3 4.04Å; M265-C344 HydrophobicContact CB-CB 4.19Å; M265-C344 CarbonylContact O-C 3.55Å; M265-C344 WeakPolarHBondContact O-CA 3.45Å; M265-C344 WeakPolarHBondContact O-CB 3.31Å; M265-K345 WeakPolarHBondContact CE-O 3.44Å; M265-K345 PolarHBondContact O-N 3.37Å; M265-F347 HydrophobicContact CE-CB 4.44Å; M265-F347 HydrophobicContact SD-CD2 4.11Å; M265-F350 HydrophobicContact CG-CB 4.09Å
266C98.7Very high98.5Very high10 Ų1010.9 Ų10.97%0.0686%0.064CC..THydrogen-bonded Turntrans-99.617.4-176.8-50.10000114W238 L242 K262 W264 L342 C344W238-C266 WeakPolarHBondContact CH2-O 3.05Å; L242-C266 HydrophobicContact CD2-CB 4.04Å; K262-C266 WeakPolarHBondContact O-CB 3.45Å; K262-C266 PolarHBondContact O-N 2.81Å; K262-C266 PolarHBondContact O-SG 3.2Å; W264-C266 VanDerWaalsContact C-N 3.31Å; W264-C266 PolarHBondContact O-N 3.46Å; C266-L342 HydrophobicContact CB-CB 4.14Å; C266-L342 HydrophobicContact CB-CD1 4.02Å; C266-C344 HydrophobicContact CB-CB 4.06Å; C266-C344 WeakPolarHBondContact CB-SG 3.29Å; C266-C344 WeakPolarHBondContact SG-CB 3.35Å; C266-C344 CovalentContact SG-SG 2.04Å; C266-C344 PolarHBondContact SG-SG 3.43Å
267G98Very high98.5Very high50 Ų5010.8 Ų10.852%0.5156%0.064SC..THydrogen-bonded Turntrans9217.2168.700000115.8
268G98.6Very high98.5Very high10 Ų1010.8 Ų10.810%0.1036%0.064CC..  trans-92.4-174.1165.700000112.4K171 I263K171-G268 VanDerWaalsContact O-CA 3.23Å; K171-G268 WeakPolarHBondContact O-CA 3.45Å; I263-G268 CarbonylContact O-C 3.54Å; I263-G268 WeakPolarHBondContact O-CA 3.32Å; I263-G268 PolarHBondContact O-N 2.92Å
269R98.5Very high98.5Very high108 Ų10810.7 Ų10.741%0.4086%0.063SC..EExtended strand (participates in β ladder)trans-137.2146.5177.3-174.5-178.4177.2-160.2-3.8109K171 T172 V173 D223 I263 W264 V271K171-R269 PolarHBondContact O-N 2.75Å; K171-R269 VanDerWaalsContact O-N 3.13Å; T172-R269 CarbonylContact C-O 3.49Å; T172-R269 WeakPolarHBondContact CA-O 3.43Å; V173-R269 PolarHBondContact N-O 3.02Å; D223-R269 IonicContact OD1-CZ 2.67Å; D223-R269 IonicContact OD1-NE 3.95Å; D223-R269 PolarHBondContact OD1-NE 3.36Å; D223-R269 IonicContact OD1-NH2 3.27Å; D223-R269 PolarHBondContact OD1-NH2 3.1Å; D223-R269 IonicContact OD2-NE 3.49Å; D223-R269 IonicContact OD2-NH2 3.09Å; I263-R269 WeakPolarHBondContact CG2-O 3.37Å; W264-R269 HydrophobicContact CH2-CG 3.74Å; W264-R269 HydrophobicContact CZ3-CB 4.37Å; W264-R269 HydrophobicContact CZ3-CG 4Å; R269-V271 HydrophobicContact CG-CG1 4.09Å
270M98.6Very high98.4Very high0 Ų012 Ų120%07%0.069CC..EExtended strand (participates in β ladder)trans-126.7127175.9-164.4176.863.600111V173 S224 P225 V226 M227 S260 I263 W264V173-M270 HydrophobicContact CB-CG 4.24Å; V173-M270 HydrophobicContact CG1-CG 4.39Å; V173-M270 WeakPolarHBondContact O-CA 3.39Å; S224-M270 PolarHBondContact N-O 3.28Å; S224-M270 WeakPolarHBondContact O-CE 3.39Å; P225-M270 VanDerWaalsContact C-CE 3.49Å; P225-M270 WeakPolarHBondContact O-CE 3.33Å; V226-M270 VanDerWaalsContact C-CE 3.46Å; V226-M270 VanDerWaalsContact CA-CE 3.49Å; M227-M270 HydrophobicContact CB-CE 4.41Å; M227-M270 HydrophobicContact CB-SD 3.86Å; M227-M270 HydrophobicContact CE-SD 3.42Å; M227-M270 WeakPolarHBondContact CE-SD 3.39Å; M227-M270 HydrophobicContact CG-SD 4.31Å; S260-M270 WeakPolarHBondContact OG-CE 3.3Å; S260-M270 PolarHBondContact OG-SD 2.73Å; S260-M270 VanDerWaalsContact OG-SD 3.34Å; I263-M270 HydrophobicContact CD1-SD 4.17Å; I263-M270 HydrophobicContact CG2-CB 4.1Å; W264-M270 HydrophobicContact CZ2-CB 4.17Å; W264-M270 VanDerWaalsContact CZ2-O 3.29Å; W264-M270 WeakPolarHBondContact CZ2-O 3.21Å
271V98.5Very high98.4Very high2 Ų212.1 Ų12.11%0.0127%0.07CC..EExtended strand (participates in β ladder)trans-132147.7-175.8-58.50000111.9P165 T172 V173 V174 C175 P221 F222 D223 R269P165-V271 HydrophobicContact CB-CG2 4.46Å; T172-V271 HydrophobicContact CG2-CG2 3.98Å; V173-V271 PolarHBondContact O-N 3.12Å; V174-V271 CarbonylContact C-O 3.53Å; V174-V271 WeakPolarHBondContact CA-O 3.29Å; V174-V271 HydrophobicContact CB-CG2 4.33Å; V174-V271 HydrophobicContact CG1-CG2 4.06Å; V174-V271 HydrophobicContact CG2-CG2 3.92Å; C175-V271 PolarHBondContact N-O 3.18Å; P221-V271 HydrophobicContact CB-CB 4.04Å; P221-V271 HydrophobicContact CB-CG2 3.91Å; F222-V271 CarbonylContact O-C 3.56Å; F222-V271 WeakPolarHBondContact O-CA 3.46Å; F222-V271 WeakPolarHBondContact O-CB 3.39Å; D223-V271 WeakPolarHBondContact OD1-CG1 3.34Å; R269-V271 HydrophobicContact CG-CG1 4.09Å
272D98.3Very high98.1Very high15 Ų1516.4 Ų16.48%0.089%0.087CC..EExtended strand (participates in β ladder)trans-95.9130.6166.7-63.7-28.2000108.3C175 F177 P221 F222 S224 P274C175-D272 VanDerWaalsContact CB-OD1 3.31Å; C175-D272 WeakPolarHBondContact CB-OD1 3.45Å; C175-D272 CarbonylContact O-C 3.48Å; C175-D272 WeakPolarHBondContact O-CA 3.33Å; F177-D272 HydrophobicContact CE1-CB 4.24Å; P221-D272 WeakPolarHBondContact CA-O 3.33Å; F222-D272 HydrophobicContact CD2-CB 4.38Å; F222-D272 HydrophobicContact CE1-CB 4.08Å; F222-D272 HydrophobicContact CE2-CB 3.74Å; F222-D272 HydrophobicContact CZ-CB 3.58Å; F222-D272 PolarHBondContact N-O 3.44Å; F222-D272 VanDerWaalsContact N-O 3.11Å; F222-D272 PolarHBondContact O-N 2.91Å; S224-D272 VanDerWaalsContact CB-OD2 3.3Å; S224-D272 WeakPolarHBondContact CB-OD2 2.86Å; S224-D272 PolarHBondContact OG-OD2 3.15Å; D272-P274 WeakPolarHBondContact O-CD 3.44Å
273A98.1Very high97.8Very high2 Ų220.8 Ų20.82%0.01710%0.103CC..EExtended strand (participates in β ladder)trans-104.3102.2-176.700000111.7V174 C175 P221 C275 S276V174-A273 HydrophobicContact CG1-CB 3.56Å; C175-A273 PolarHBondContact O-N 2.94Å; P221-A273 HydrophobicContact CG-CB 4.32Å; A273-C275 PolarHBondContact O-N 3.44Å; A273-C275 VanDerWaalsContact O-N 3.12Å; A273-S276 PolarHBondContact O-N 3.24Å
274P97.7Very high97.2Very high5 Ų526.2 Ų26.23%0.03213%0.127CC..EExtended strand (participates in β ladder)trans-60.2-29-172.8-25.334.5000115.2F177 P218 E220 F222 D272F177-P274 HydrophobicContact CE1-CB 3.97Å; F177-P274 HydrophobicContact CE1-CG 3.85Å; F177-P274 HydrophobicContact CE2-CB 3.97Å; F177-P274 HydrophobicContact CZ-CB 3.59Å; F177-P274 HydrophobicContact CZ-CG 3.68Å; P218-P274 WeakPolarHBondContact O-CB 3.33Å; P218-P274 WeakPolarHBondContact O-CG 3.03Å; E220-P274 WeakPolarHBondContact O-CD 3.28Å; E220-P274 WeakPolarHBondContact O-CG 3.45Å; F222-P274 HydrophobicContact CD1-CG 4.11Å; F222-P274 HydrophobicContact CE1-CG 3.98Å; D272-P274 WeakPolarHBondContact O-CD 3.44Å
275C98.1Very high96.8Very high2 Ų228.6 Ų28.61%0.01414%0.136CC..EExtended strand (participates in β ladder)trans-82.6-12.4179-60.10000113.7R40 C44 P161 E219 A273R40-C275 VanDerWaalsContact CD-O 3.25Å; R40-C275 WeakPolarHBondContact CD-O 3.39Å; C44-C275 WeakPolarHBondContact CA-SG 3.45Å; C44-C275 HydrophobicContact CB-CB 3.71Å; C44-C275 WeakPolarHBondContact CB-SG 3.41Å; C44-C275 WeakPolarHBondContact SG-CA 3.49Å; C44-C275 WeakPolarHBondContact SG-CB 3.21Å; C44-C275 CovalentContact SG-SG 2.04Å; C44-C275 PolarHBondContact SG-SG 3.26Å; P161-C275 HydrophobicContact CB-CB 3.89Å; P161-C275 HydrophobicContact CG-CB 4.12Å; P161-C275 WeakPolarHBondContact CG-O 3.09Å; E219-C275 PolarHBondContact O-SG 3.49Å; E219-C275 VanDerWaalsContact O-SG 3.33Å; A273-C275 PolarHBondContact O-N 3.44Å; A273-C275 VanDerWaalsContact O-N 3.12Å
276S98.4Very high96.3Very high0 Ų032.6 Ų32.60%016%0.164CC..EExtended strand (participates in β ladder)trans-96.5115167.8-170.70000108.5W158 P176 F177 A273W158-S276 VanDerWaalsContact O-CB 3.3Å; W158-S276 WeakPolarHBondContact O-CB 3.34Å; W158-S276 PolarHBondContact O-OG 3.45Å; P176-S276 CarbonylContact C-O 3.39Å; P176-S276 WeakPolarHBondContact CA-O 2.97Å; P176-S276 WeakPolarHBondContact CB-O 3.33Å; F177-S276 PolarHBondContact N-O 2.91Å; A273-S276 PolarHBondContact O-N 3.24Å
277R98.3Very high96Very high5 Ų534.3 Ų34.32%0.01918%0.175CC..EExtended strand (participates in β ladder)trans-127.2138.9-179.2-49.4-171.172.7106.5-4.9110.4R40 G155 F177 D179 D192R40-R277 HydrophobicContact CG-CG 4.05Å; G155-R277 WeakPolarHBondContact CA-O 3.49Å; G155-R277 PolarHBondContact N-O 3.04Å; F177-R277 HydrophobicContact CB-CG 4.19Å; F177-R277 VanDerWaalsContact CD2-NH1 3.27Å; F177-R277 WeakPolarHBondContact O-CA 3.22Å; D179-R277 IonicContact OD1-CZ 3.55Å; D179-R277 VanDerWaalsContact OD1-CZ 3.27Å; D179-R277 IonicContact OD1-NE 3.69Å; D179-R277 PolarHBondContact OD1-NE 3.47Å; D179-R277 VanDerWaalsContact OD1-NE 3.09Å; D179-R277 IonicContact OD1-NH2 2.75Å; D179-R277 PolarHBondContact OD1-NH2 3.42Å; D179-R277 WeakPolarHBondContact OD2-CB 3.28Å; D179-R277 IonicContact OD2-CZ 3.89Å; D179-R277 IonicContact OD2-NE 3.78Å; D179-R277 PolarHBondContact OD2-NE 3.48Å; D192-R277 PolarHBondContact O-NH2 2.98Å
278I98.5Very high95.6Very high1 Ų137.4 Ų37.41%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-138.1124.6177.9-56.5-174.5000108.1L148 C152 W158 P176 F177 I178 D179 L231L148-I278 HydrophobicContact CD2-CD1 3.44Å; L148-I278 VanDerWaalsContact CD2-CD1 3.44Å; C152-I278 HydrophobicContact CB-CG2 3.87Å; W158-I278 HydrophobicContact CD2-CD1 4.49Å; W158-I278 HydrophobicContact CE3-CD1 3.74Å; W158-I278 HydrophobicContact CE3-CG1 4.39Å; W158-I278 HydrophobicContact CZ3-CD1 4.04Å; P176-I278 HydrophobicContact CB-CD1 4.18Å; P176-I278 HydrophobicContact CB-CG1 3.98Å; P176-I278 HydrophobicContact CG-CB 4.41Å; P176-I278 HydrophobicContact CG-CD1 3.87Å; P176-I278 HydrophobicContact CG-CG1 4.05Å; F177-I278 PolarHBondContact O-N 2.9Å; I178-I278 WeakPolarHBondContact CA-O 3.37Å; D179-I278 PolarHBondContact N-O 3.32Å; L231-I278 HydrophobicContact CD2-CB 3.65Å; L231-I278 HydrophobicContact CD2-CD1 4.2Å; L231-I278 HydrophobicContact CD2-CG1 4.47Å; L231-I278 HydrophobicContact CD2-CG2 3.44Å; L231-I278 VanDerWaalsContact CD2-CG2 3.44Å
279G98.3Very high95.3Very high0 Ų038.3 Ų38.30%018%0.18CC..EExtended strand (participates in β ladder)trans-74.3140174.300000110.7C152 E153 Y188C152-G279 CarbonylContact C-O 3.58Å; C152-G279 WeakPolarHBondContact CA-O 3.33Å; C152-G279 WeakPolarHBondContact CB-O 3.48Å; E153-G279 PolarHBondContact N-O 3.14Å; E153-G279 PolarHBondContact O-N 2.97Å; Y188-G279 VanDerWaalsContact CE2-CA 3.4Å; Y188-G279 PolarHBondContact OH-N 3.24Å; Y188-G279 VanDerWaalsContact OH-N 3.09Å
280H98.5Very high94.9Very high26 Ų2636 Ų3612%0.1218%0.179CC..EExtended strand (participates in β ladder)trans-128.2134.7177170.4-86.9000109.4D149 H151 I178 D179 I181 Y282D149-H280 IonicContact OD2-CD2 3.68Å; D149-H280 PolarHBondContact OD2-CD2 2.99Å; D149-H280 IonicContact OD2-NE2 3.66Å; D149-H280 PolarHBondContact OD2-NE2 3.08Å; H151-H280 AromaticContact CD2-CD2 3.81Å; H151-H280 AromaticContact CD2-NE2 3.45Å; H151-H280 PolarHBondContact CD2-NE2 2.64Å; H151-H280 AromaticContact NE2-CD2 3.99Å; H151-H280 AromaticContact NE2-CE1 3.94Å; H151-H280 AromaticContact NE2-NE2 3.24Å; H151-H280 PolarHBondContact NE2-NE2 3.22Å; I178-H280 HydrophobicContact CG2-CB 3.61Å; D179-H280 PolarHBondContact O-N 3.31Å; I181-H280 PolarHBondContact N-O 2.92Å; H280-Y282 AromaticContact ND1-CD2 3.84Å; H280-Y282 AromaticContact ND1-CE2 3.92Å; H280-Y282 AromaticContact ND1-CG 3.95Å; H280-Y282 WeakPolarHBondContact O-CD2 2.8Å; H280-Y282 PolarHBondContact O-N 2.87Å
281I98Very high94.4Very high3 Ų345.3 Ų45.32%0.01522%0.22CC..EExtended strand (participates in β ladder)trans-74.4107.3175.1-56.1178.5000109.6F22 T69 H151 I181 F186 R283F22-I281 HydrophobicContact CB-CG2 3.89Å; F22-I281 HydrophobicContact CD1-CB 4.48Å; F22-I281 HydrophobicContact CD1-CG2 3.6Å; F22-I281 HydrophobicContact CE1-CD1 4.48Å; F22-I281 HydrophobicContact CE1-CG2 4.3Å; F22-I281 HydrophobicContact CG-CG2 3.86Å; F22-I281 HydrophobicContact CZ-CD1 4.49Å; T69-I281 HydrophobicContact CG2-CD1 3.62Å; H151-I281 HydrophobicContact CB-CB 4.13Å; H151-I281 HydrophobicContact CB-CD1 3.88Å; H151-I281 HydrophobicContact CB-CG1 4.1Å; H151-I281 PolarHBondContact CD2-O 3.46Å; H151-I281 PolarHBondContact O-N 3.1Å; I181-I281 HydrophobicContact CB-CB 4.5Å; I181-I281 HydrophobicContact CB-CG1 3.8Å; I181-I281 HydrophobicContact CD1-CG1 4.19Å; I181-I281 HydrophobicContact CG2-CD1 4.49Å; I181-I281 HydrophobicContact CG2-CG1 3.76Å; I181-I281 WeakPolarHBondContact O-CA 3.42Å; F186-I281 HydrophobicContact CD1-CD1 4.38Å; F186-I281 HydrophobicContact CE1-CD1 3.48Å; F186-I281 VanDerWaalsContact CE1-CD1 3.48Å; F186-I281 HydrophobicContact CE1-CG1 4.49Å; F186-I281 HydrophobicContact CZ-CD1 3.68Å; I281-R283 PolarHBondContact O-N 3.47Å
282Y91.6Very high93.7Very high90 Ų9046.3 Ų46.335%0.35323%0.229SC..  trans-79.6105.8172.5-76.6-85.9000109.9I178 V180 I181 A183 Q191 H280 K284I178-Y282 HydrophobicContact CG2-CE2 4.35Å; V180-Y282 HydrophobicContact CB-CD2 4.2Å; V180-Y282 HydrophobicContact CB-CE2 4.44Å; V180-Y282 HydrophobicContact CG1-CD2 4.08Å; V180-Y282 HydrophobicContact CG2-CD2 3.82Å; V180-Y282 HydrophobicContact CG2-CE2 3.76Å; I181-Y282 PolarHBondContact O-N 3.48Å; A183-Y282 WeakPolarHBondContact CB-O 3.18Å; Q191-Y282 PolarHBondContact OE1-OH 2.89Å; H280-Y282 AromaticContact ND1-CD2 3.84Å; H280-Y282 AromaticContact ND1-CE2 3.92Å; H280-Y282 AromaticContact ND1-CG 3.95Å; H280-Y282 WeakPolarHBondContact O-CD2 2.8Å; H280-Y282 PolarHBondContact O-N 2.87Å; Y282-K284 PolarHBondContact O-N 2.69Å
283R92.1Very high93Very high92 Ų9254.9 Ų54.935%0.34727%0.268SS..  trans-57.3129.2178.4-64.7177.1-176.6-177.6-3.9110.6N20 G21 F22 E65 I281 T287 F289N20-R283 WeakPolarHBondContact O-CD 3.45Å; N20-R283 PolarHBondContact O-NE 2.95Å; G21-R283 WeakPolarHBondContact O-CA 3.41Å; F22-R283 HydrophobicContact CD1-CG 4.21Å; E65-R283 IonicContact OE2-NH2 3.37Å; I281-R283 PolarHBondContact O-N 3.47Å; R283-T287 VanDerWaalsContact NH1-CG2 3.34Å; R283-F289 VanDerWaalsContact NH1-CE2 3.26Å
284K87.9Confident92.2Very high115 Ų11559.3 Ų59.350%0.529%0.287SS..  trans-99.6-25.8178.2-176.9173.8171.6-175.80112.2G21 A183 D184 Y282G21-K284 PolarHBondContact O-N 3.1Å; A183-K284 HydrophobicContact CB-CB 3.88Å; D184-K284 WeakPolarHBondContact OD2-CD 3.42Å; D184-K284 IonicContact OD2-NZ 3.92Å; D184-K284 PolarHBondContact OD2-NZ 2.97Å; Y282-K284 PolarHBondContact O-N 2.69Å
285Y90.4Very high91.6Very high64 Ų6462.4 Ų62.425%0.25132%0.32SS..SBendtrans-115.6155.8-176.9-45.2-79.2000111.4I17 N18 G21 D184I17-Y285 HydrophobicContact CB-CD2 3.75Å; I17-Y285 HydrophobicContact CB-CE2 4.02Å; I17-Y285 HydrophobicContact CB-CG 4.17Å; I17-Y285 HydrophobicContact CD1-CD1 3.96Å; I17-Y285 HydrophobicContact CD1-CD2 4.39Å; I17-Y285 HydrophobicContact CD1-CE1 4Å; I17-Y285 HydrophobicContact CD1-CE2 4.42Å; I17-Y285 HydrophobicContact CD1-CG 4.16Å; I17-Y285 HydrophobicContact CG1-CD2 4.44Å; I17-Y285 HydrophobicContact CG1-CG 4.39Å; I17-Y285 HydrophobicContact CG2-CD2 4.23Å; I17-Y285 HydrophobicContact CG2-CE2 3.98Å; N18-Y285 WeakPolarHBondContact OD1-CB 2.9Å; G21-Y285 VanDerWaalsContact CA-O 3.25Å; G21-Y285 WeakPolarHBondContact CA-O 3.46Å; G21-Y285 PolarHBondContact O-N 3.01Å; D184-Y285 WeakPolarHBondContact OD1-CE2 3.39Å; D184-Y285 PolarHBondContact OD1-OH 3.34Å; D184-Y285 PolarHBondContact OD2-OH 3.36Å
286S87.7Confident91.3Very high85 Ų8565.3 Ų65.359%0.59434%0.335SS*.  trans-62.3138.1173.955.10000110.6N18N18-S286 WeakPolarHBondContact CA-O 3.37Å; N18-S286 WeakPolarHBondContact CB-O 3.4Å; N18-S286 PolarHBondContact OD1-O 3.09Å
287T91.9Very high91Very high46 Ų4667.4 Ų67.428%0.28234%0.344SS..  trans-87.7138.8175.859.10000112N18 N20 R283 F289N18-T287 CarbonylContact O-C 3.57Å; N18-T287 WeakPolarHBondContact O-CA 3.34Å; N20-T287 WeakPolarHBondContact O-CG2 3.33Å; R283-T287 VanDerWaalsContact NH1-CG2 3.34Å; T287-F289 HydrophobicContact CG2-CE1 4.47Å; T287-F289 HydrophobicContact CG2-CE2 4.36Å; T287-F289 HydrophobicContact CG2-CZ 4.33Å; T287-F289 PolarHBondContact O-N 2.91Å; T287-F289 VanDerWaalsContact O-N 3.08Å
288N90.1Very high90.9Very high114 Ų11468.7 Ų68.761%0.6135%0.353SS*.  trans-81.131.3172.3-69-16.4000113N18N18-N288 PolarHBondContact O-N 2.86Å
289F92.3Very high90.8Very high29 Ų2968.7 Ų68.713%0.12735%0.353CS..PPolyproline II helixtrans-70.6147.7178-68.3-3.1000110.1E19 F63 E64 R283 T287 K291E19-F289 WeakPolarHBondContact O-CE1 3.25Å; F63-F289 HydrophobicContact CD1-CD2 4.1Å; F63-F289 HydrophobicContact CD1-CG 4.49Å; F63-F289 HydrophobicContact CE1-CB 4.13Å; F63-F289 WeakPolarHBondContact O-CE2 3.34Å; E64-F289 HydrophobicContact CB-CD1 3.55Å; E64-F289 HydrophobicContact CB-CD2 4.29Å; E64-F289 HydrophobicContact CB-CE1 3.51Å; E64-F289 HydrophobicContact CB-CE2 4.24Å; E64-F289 HydrophobicContact CB-CG 3.96Å; E64-F289 HydrophobicContact CB-CZ 3.88Å; E64-F289 HydrophobicContact CG-CD1 4.23Å; E64-F289 HydrophobicContact CG-CG 4.37Å; E64-F289 WeakPolarHBondContact O-CE1 3.47Å; R283-F289 VanDerWaalsContact NH1-CE2 3.26Å; T287-F289 HydrophobicContact CG2-CE1 4.47Å; T287-F289 HydrophobicContact CG2-CE2 4.36Å; T287-F289 HydrophobicContact CG2-CZ 4.33Å; T287-F289 PolarHBondContact O-N 2.91Å; T287-F289 VanDerWaalsContact O-N 3.08Å; F289-K291 PolarHBondContact O-N 3.44Å
290P90.4Very high90.7Very high60 Ų6071.8 Ų71.839%0.3936%0.364SS..PPolyproline II helixtrans-51144.8168.5-25.134.4000110.2F63 R126F63-P290 HydrophobicContact CZ-CB 4.27Å; F63-P290 HydrophobicContact CZ-CG 4.13Å; R126-P290 PolarHBondContact NH1-O 2.79Å
291K86.8Confident90.7Very high196 Ų19670.5 Ų70.585%0.85236%0.359SS*.PPolyproline II helixtrans-74.3152.7175.6-70.8-176.4179.41800110.1R126 F289R126-K291 PolarHBondContact NH1-O 3.3Å; F289-K291 PolarHBondContact O-N 3.44Å
292A85.2Confident90.7Very high23 Ų2370.8 Ų70.819%0.1936%0.359CS..PPolyproline II helixtrans-77.2136.517000000109I251 F294I251-A292 HydrophobicContact CB-CB 4.45Å; I251-A292 HydrophobicContact CD1-CB 3.59Å; I251-A292 HydrophobicContact CG1-CB 3.69Å; I251-A292 HydrophobicContact CG2-CB 3.92Å; A292-F294 PolarHBondContact O-N 3.13Å
293E82.8Confident91Very high195 Ų19567.8 Ų67.891%0.91135%0.348SS*.SBendtrans-83.346.5178.4-61.4-173.116300111.8
294F80.9Confident91.3Very high95 Ų9563.8 Ų63.842%0.41733%0.333SS..  trans-127.7134.8171.5-77.5-91.4000107.5V250 I251 A292 F297V250-F294 HydrophobicContact CG1-CE1 4.35Å; V250-F294 HydrophobicContact CG2-CD1 3.99Å; V250-F294 HydrophobicContact CG2-CE1 4.43Å; V250-F294 HydrophobicContact CG2-CG 4.21Å; I251-F294 HydrophobicContact CD1-CD2 3.98Å; I251-F294 HydrophobicContact CD1-CE2 4.47Å; I251-F294 HydrophobicContact CG1-CB 4.31Å; I251-F294 HydrophobicContact CG1-CD2 3.97Å; I251-F294 HydrophobicContact CG1-CG 4.36Å; A292-F294 PolarHBondContact O-N 3.13Å; F294-F297 HydrophobicContact CB-CB 4.04Å; F294-F297 HydrophobicContact CB-CD1 4.13Å; F294-F297 HydrophobicContact CB-CG 4.48Å
295G86.2Confident91.8Very high70 Ų7058.4 Ų58.472%0.72231%0.31SS*.SBendtrans-64-122.8-17800000113.2F297G295-F297 WeakPolarHBondContact O-CD1 3.15Å; G295-F297 PolarHBondContact O-N 3.4Å
296D90.3Very high92.2Very high63 Ų6355.4 Ų55.434%0.33730%0.298SS..SBendtrans-75.968.8174.3-173.37.5000111V298 G299 R300D296-V298 VanDerWaalsContact C-N 3.31Å; D296-V298 PolarHBondContact O-N 3.22Å; D296-G299 PolarHBondContact OD1-N 3.29Å; D296-R300 WeakPolarHBondContact O-CB 3.48Å; D296-R300 PolarHBondContact O-N 2.78Å; D296-R300 VanDerWaalsContact O-N 3.1Å
297F93.8Very high92.7Very high43 Ų4353.3 Ų53.319%0.18928%0.279CS..Hα-helixtrans-66.8-33.3-179.861.3-96.5000112.2V250 I251 W252 F294 G295 R300 N301V250-F297 HydrophobicContact CG2-CB 3.63Å; I251-F297 HydrophobicContact CB-CD1 4.36Å; I251-F297 HydrophobicContact CB-CD2 3.79Å; I251-F297 HydrophobicContact CB-CE1 4.39Å; I251-F297 HydrophobicContact CB-CE2 3.83Å; I251-F297 HydrophobicContact CB-CG 4.08Å; I251-F297 HydrophobicContact CB-CZ 4.14Å; I251-F297 HydrophobicContact CG1-CD1 4.38Å; I251-F297 HydrophobicContact CG1-CG 4.33Å; I251-F297 HydrophobicContact CG2-CD2 4.22Å; I251-F297 HydrophobicContact CG2-CE1 4.12Å; I251-F297 HydrophobicContact CG2-CE2 3.73Å; I251-F297 HydrophobicContact CG2-CZ 3.68Å; W252-F297 HydrophobicContact CB-CE2 4.3Å; W252-F297 WeakPolarHBondContact O-CD2 3.42Å; W252-F297 VanDerWaalsContact O-CE2 3.28Å; W252-F297 WeakPolarHBondContact O-CE2 3.45Å; F294-F297 HydrophobicContact CB-CB 4.04Å; F294-F297 HydrophobicContact CB-CD1 4.13Å; F294-F297 HydrophobicContact CB-CG 4.48Å; G295-F297 WeakPolarHBondContact O-CD1 3.15Å; G295-F297 PolarHBondContact O-N 3.4Å; F297-R300 PolarHBondContact O-N 3.23Å; F297-N301 VanDerWaalsContact O-CB 3.3Å; F297-N301 WeakPolarHBondContact O-CB 3.18Å; F297-N301 PolarHBondContact O-N 2.04Å; F297-N301 PolarHBondContact O-OD1 2.82Å
298V94.5Very high93Very high33 Ų3351.3 Ų51.320%0.227%0.267CS..Hα-helixtrans-65.7-51.5178.8-179.60000110.1W252 D296 R300 N301 Y302W252-V298 HydrophobicContact CE3-CG2 4.4Å; D296-V298 VanDerWaalsContact C-N 3.31Å; D296-V298 PolarHBondContact O-N 3.22Å; V298-R300 VanDerWaalsContact C-N 3.29Å; V298-R300 PolarHBondContact O-N 2.78Å; V298-N301 PolarHBondContact O-N 3.33Å; V298-Y302 HydrophobicContact CG1-CD1 4.24Å; V298-Y302 HydrophobicContact CG1-CD2 4.22Å; V298-Y302 HydrophobicContact CG1-CE1 3.83Å; V298-Y302 HydrophobicContact CG1-CE2 3.83Å; V298-Y302 HydrophobicContact CG1-CG 4.42Å; V298-Y302 WeakPolarHBondContact O-CB 3.21Å; V298-Y302 WeakPolarHBondContact O-CD1 3.37Å; V298-Y302 PolarHBondContact O-N 2.97Å
299G96.5Very high93.4Very high0 Ų046 Ų460%024%0.238CC..Hα-helixtrans-59.3-40.1176.600000112.3D296 Y302 K303 Y324D296-G299 PolarHBondContact OD1-N 3.29Å; G299-Y302 PolarHBondContact O-N 3.32Å; G299-K303 WeakPolarHBondContact O-CB 3.34Å; G299-K303 PolarHBondContact O-N 3.15Å; G299-Y324 VanDerWaalsContact CA-CE1 3.44Å
300R97Very high93.8Very high65 Ų6544.6 Ų44.625%0.24523%0.232CC..Hα-helixtrans-64-47.3175.5-177.8177.5174.9-79-0.2112G248 D296 F297 V298 Y302 K303 R304 D328 A329G248-R300 PolarHBondContact O-NH1 3.12Å; D296-R300 WeakPolarHBondContact O-CB 3.48Å; D296-R300 PolarHBondContact O-N 2.78Å; D296-R300 VanDerWaalsContact O-N 3.1Å; F297-R300 PolarHBondContact O-N 3.23Å; V298-R300 VanDerWaalsContact C-N 3.29Å; V298-R300 PolarHBondContact O-N 2.78Å; R300-Y302 VanDerWaalsContact C-N 3.34Å; R300-Y302 PolarHBondContact O-N 2.8Å; R300-K303 WeakPolarHBondContact O-CB 3.18Å; R300-K303 PolarHBondContact O-N 2.84Å; R300-R304 WeakPolarHBondContact O-CG 3.4Å; R300-R304 PolarHBondContact O-N 3.11Å; R300-D328 WeakPolarHBondContact CD-O 3.31Å; R300-D328 WeakPolarHBondContact CG-O 3.33Å; R300-D328 PolarHBondContact NE-O 2.67Å; R300-D328 VanDerWaalsContact NE-O 3.15Å; R300-A329 PolarHBondContact NH2-O 3.01Å
301N98Very high94.1Very high0 Ų043.8 Ų43.80%022%0.224CC..Hα-helixtrans-60.8-45.5178.1-72.6-5.2000110.7L249 V250 W252 G253 F297 V298 K303 R304 V305L249-N301 WeakPolarHBondContact CA-OD1 3.33Å; L249-N301 HydrophobicContact CD2-CB 3.72Å; V250-N301 PolarHBondContact N-ND2 3.19Å; V250-N301 PolarHBondContact N-OD1 3.05Å; V250-N301 VanDerWaalsContact N-OD1 3.12Å; V250-N301 PolarHBondContact O-ND2 2.98Å; W252-N301 PolarHBondContact O-ND2 3.13Å; G253-N301 WeakPolarHBondContact O-CB 2.99Å; G253-N301 PolarHBondContact O-ND2 3.39Å; F297-N301 VanDerWaalsContact O-CB 3.3Å; F297-N301 WeakPolarHBondContact O-CB 3.18Å; F297-N301 PolarHBondContact O-N 2.04Å; F297-N301 PolarHBondContact O-OD1 2.82Å; V298-N301 PolarHBondContact O-N 3.33Å; N301-K303 VanDerWaalsContact C-N 3.31Å; N301-K303 PolarHBondContact O-N 2.87Å; N301-R304 WeakPolarHBondContact O-CB 3.37Å; N301-R304 PolarHBondContact O-N 3.47Å; N301-R304 VanDerWaalsContact O-N 3.11Å; N301-V305 WeakPolarHBondContact O-CG2 3.11Å; N301-V305 PolarHBondContact O-N 3.43Å
302Y98.3Very high94.7Very high8 Ų839.3 Ų39.33%0.03121%0.207CC..Hα-helixtrans-59.7-41.3176.6-74.68.7000112L203 Y257 V298 G299 R300 V305 A306 Y324L203-Y302 HydrophobicContact CB-CD2 3.74Å; L203-Y302 HydrophobicContact CB-CE2 3.67Å; L203-Y302 HydrophobicContact CB-CG 4.18Å; L203-Y302 HydrophobicContact CD1-CD1 4.36Å; L203-Y302 HydrophobicContact CD1-CD2 4.22Å; L203-Y302 HydrophobicContact CD1-CG 3.93Å; L203-Y302 WeakPolarHBondContact O-CE2 3.08Å; L203-Y302 VanDerWaalsContact O-CZ 3.26Å; L203-Y302 PolarHBondContact O-OH 3.04Å; Y257-Y302 HydrophobicContact CD2-CE1 4.44Å; Y257-Y302 HydrophobicContact CE2-CE1 4.22Å; V298-Y302 HydrophobicContact CG1-CD1 4.24Å; V298-Y302 HydrophobicContact CG1-CD2 4.22Å; V298-Y302 HydrophobicContact CG1-CE1 3.83Å; V298-Y302 HydrophobicContact CG1-CE2 3.83Å; V298-Y302 HydrophobicContact CG1-CG 4.42Å; V298-Y302 WeakPolarHBondContact O-CB 3.21Å; V298-Y302 WeakPolarHBondContact O-CD1 3.37Å; V298-Y302 PolarHBondContact O-N 2.97Å; G299-Y302 PolarHBondContact O-N 3.32Å; R300-Y302 VanDerWaalsContact C-N 3.34Å; R300-Y302 PolarHBondContact O-N 2.8Å; Y302-V305 PolarHBondContact O-N 2.68Å; Y302-A306 VanDerWaalsContact O-CB 3.29Å; Y302-A306 WeakPolarHBondContact O-CB 3.49Å; Y302-A306 PolarHBondContact O-N 2.78Å; Y302-Y324 HydrophobicContact CD2-CE2 4.03Å
303K98.2Very high95.3Very high27 Ų2739.7 Ų39.712%0.11720%0.203CC..Hα-helixtrans-58.9-47.8172.6-174178.6-169.5162.80111.7G299 R300 N301 V305 A306 E307 Y318 Y324 R325 L327 A329G299-K303 WeakPolarHBondContact O-CB 3.34Å; G299-K303 PolarHBondContact O-N 3.15Å; R300-K303 WeakPolarHBondContact O-CB 3.18Å; R300-K303 PolarHBondContact O-N 2.84Å; N301-K303 VanDerWaalsContact C-N 3.31Å; N301-K303 PolarHBondContact O-N 2.87Å; K303-V305 VanDerWaalsContact C-N 3.32Å; K303-V305 PolarHBondContact O-N 2.7Å; K303-A306 PolarHBondContact O-N 3.05Å; K303-E307 HydrophobicContact CG-CG 4.04Å; K303-E307 WeakPolarHBondContact O-CB 3.38Å; K303-E307 VanDerWaalsContact O-CG 3.31Å; K303-E307 WeakPolarHBondContact O-CG 3.38Å; K303-E307 PolarHBondContact O-N 2.69Å; K303-Y318 WeakPolarHBondContact CG-OH 3.47Å; K303-Y324 WeakPolarHBondContact CD-O 3.37Å; K303-R325 PolarHBondContact NZ-O 2.99Å; K303-L327 HydrophobicContact CD-CB 4.17Å; K303-L327 WeakPolarHBondContact CD-O 3.21Å; K303-L327 WeakPolarHBondContact CE-O 3.48Å; K303-L327 PolarHBondContact NZ-O 2.83Å; K303-A329 HydrophobicContact CD-CB 3.88Å; K303-A329 HydrophobicContact CG-CB 4.04Å
304R98.4Very high96Very high9 Ų932.7 Ų32.73%0.03417%0.17CC..Hα-helixtrans-57.8-45.7178.8-67.6-17763.1811.1111.6D246 G248 L249 R300 N301 V308 A329 D331 L332D246-R304 VanDerWaalsContact CG-NH2 3.25Å; D246-R304 IonicContact OD1-CZ 3.83Å; D246-R304 IonicContact OD1-NE 4Å; D246-R304 IonicContact OD1-NH2 2.86Å; D246-R304 PolarHBondContact OD1-NH2 3.01Å; D246-R304 IonicContact OD2-CZ 3.17Å; D246-R304 IonicContact OD2-NE 2.74Å; D246-R304 PolarHBondContact OD2-NE 3.49Å; D246-R304 IonicContact OD2-NH2 2.83Å; D246-R304 PolarHBondContact OD2-NH2 3.29Å; G248-R304 WeakPolarHBondContact O-CD 3.38Å; L249-R304 HydrophobicContact CD2-CB 4.16Å; R300-R304 WeakPolarHBondContact O-CG 3.4Å; R300-R304 PolarHBondContact O-N 3.11Å; N301-R304 WeakPolarHBondContact O-CB 3.37Å; N301-R304 PolarHBondContact O-N 3.47Å; N301-R304 VanDerWaalsContact O-N 3.11Å; R304-V308 WeakPolarHBondContact O-CG2 3.37Å; R304-V308 PolarHBondContact O-N 3.07Å; R304-A329 VanDerWaalsContact CD-O 3.3Å; R304-A329 WeakPolarHBondContact CD-O 3.45Å; R304-A329 HydrophobicContact CG-CB 4.02Å; R304-A329 VanDerWaalsContact CG-O 3.27Å; R304-A329 WeakPolarHBondContact CG-O 3.42Å; R304-A329 PolarHBondContact NH1-O 2.96Å; R304-D331 PolarHBondContact NH1-O 2.66Å; R304-D331 PolarHBondContact NH2-O 2.81Å; R304-L332 HydrophobicContact CB-CD2 4.02Å; R304-L332 HydrophobicContact CG-CD2 4Å
305V98.6Very high96.8Very high2 Ų231.2 Ų31.21%0.01216%0.164CC..Hα-helixtrans-61.7-49.4176.31790000111L249 E258 F261 N301 Y302 K303 E307 V308 W309L249-V305 HydrophobicContact CD2-CG2 4.29Å; E258-V305 HydrophobicContact CB-CG2 3.78Å; E258-V305 HydrophobicContact CG-CG2 4.27Å; F261-V305 HydrophobicContact CD2-CG1 3.83Å; F261-V305 HydrophobicContact CE2-CG1 3.78Å; N301-V305 WeakPolarHBondContact O-CG2 3.11Å; N301-V305 PolarHBondContact O-N 3.43Å; Y302-V305 PolarHBondContact O-N 2.68Å; K303-V305 VanDerWaalsContact C-N 3.32Å; K303-V305 PolarHBondContact O-N 2.7Å; V305-E307 PolarHBondContact O-N 3.12Å; V305-V308 PolarHBondContact O-N 3.33Å; V305-W309 WeakPolarHBondContact O-CB 3.36Å; V305-W309 PolarHBondContact O-N 3.5Å
306A98.5Very high97.4Very high0 Ų030.5 Ų30.50%014%0.14CC..Hα-helixtrans-63.3-42.3-176.900000112.7Y302 K303 V308 M310 K314 L317Y302-A306 VanDerWaalsContact O-CB 3.29Å; Y302-A306 WeakPolarHBondContact O-CB 3.49Å; Y302-A306 PolarHBondContact O-N 2.78Å; K303-A306 PolarHBondContact O-N 3.05Å; A306-V308 VanDerWaalsContact C-N 3.31Å; A306-V308 PolarHBondContact O-N 2.97Å; A306-M310 HydrophobicContact CB-CB 4.43Å; A306-M310 HydrophobicContact CB-CG 4.38Å; A306-M310 HydrophobicContact CB-SD 3.72Å; A306-M310 WeakPolarHBondContact O-CB 3.47Å; A306-M310 PolarHBondContact O-N 2.96Å; A306-M310 VanDerWaalsContact O-N 3.13Å; A306-K314 HydrophobicContact CB-CB 3.86Å; A306-L317 HydrophobicContact CB-CD2 3.81Å
307E98.4Very high97.7Very high42 Ų4227.5 Ų27.520%0.19612%0.124CC..Hα-helixtrans-67.3-27.7179.6-73.6-59151.500114K303 V305 K314 Y318 L332K303-E307 HydrophobicContact CG-CG 4.04Å; K303-E307 WeakPolarHBondContact O-CB 3.38Å; K303-E307 VanDerWaalsContact O-CG 3.31Å; K303-E307 WeakPolarHBondContact O-CG 3.38Å; K303-E307 PolarHBondContact O-N 2.69Å; V305-E307 PolarHBondContact O-N 3.12Å; E307-K314 IonicContact OE1-NZ 2.68Å; E307-K314 IonicContact OE2-NZ 3.97Å; E307-K314 PolarHBondContact OE2-NZ 2.97Å; E307-Y318 WeakPolarHBondContact CG-OH 3.37Å; E307-Y318 WeakPolarHBondContact OE1-CE2 3.36Å; E307-Y318 PolarHBondContact OE1-OH 3.17Å; E307-L332 HydrophobicContact CB-CD1 3.53Å; E307-L332 HydrophobicContact CG-CD1 4.25Å
308V98.6Very high97.8Very high3 Ų325.6 Ų25.62%0.01812%0.116CC..Hα-helixtrans-94.2-39.8-179.9179.30000111.7R304 V305 A306 L332 Q335 R339R304-V308 WeakPolarHBondContact O-CG2 3.37Å; R304-V308 PolarHBondContact O-N 3.07Å; V305-V308 PolarHBondContact O-N 3.33Å; A306-V308 VanDerWaalsContact C-N 3.31Å; A306-V308 PolarHBondContact O-N 2.97Å; V308-L332 HydrophobicContact CG2-CB 4.18Å; V308-L332 HydrophobicContact CG2-CD1 4.18Å; V308-L332 HydrophobicContact CG2-CD2 3.9Å; V308-L332 HydrophobicContact CG2-CG 4.32Å; V308-Q335 HydrophobicContact CB-CB 4.48Å; V308-Q335 HydrophobicContact CG1-CB 3.9Å; V308-Q335 HydrophobicContact CG2-CB 3.83Å; V308-R339 WeakPolarHBondContact O-CD 3.38Å; V308-R339 PolarHBondContact O-NH1 3.47Å
309W98.7Very high97.8Very high2 Ų230.5 Ų30.51%0.00813%0.134CC..Hα-helixtrans-116.3-20.6-163.2-62.3106.6000114.9F261 K262 M265 V305 R339 C344 F347F261-W309 HydrophobicContact CB-CB 4.05Å; F261-W309 HydrophobicContact CB-CD2 4.39Å; F261-W309 HydrophobicContact CB-CG 4.19Å; F261-W309 HydrophobicContact CD2-CB 3.73Å; F261-W309 HydrophobicContact CD2-CG 4.41Å; F261-W309 HydrophobicContact CG-CB 4.3Å; K262-W309 HydrophobicContact CD-CZ2 4.03Å; K262-W309 HydrophobicContact CG-CH2 3.53Å; K262-W309 HydrophobicContact CG-CZ2 3.28Å; K262-W309 HydrophobicContact CG-CZ3 4.25Å; M265-W309 HydrophobicContact CE-CE3 3.93Å; M265-W309 WeakPolarHBondContact CE-O 3.19Å; M265-W309 HydrophobicContact SD-CE3 4.04Å; V305-W309 WeakPolarHBondContact O-CB 3.36Å; V305-W309 PolarHBondContact O-N 3.5Å; W309-R339 HydrophobicContact CE3-CG 4.38Å; W309-R339 HydrophobicContact CH2-CB 3.87Å; W309-R339 HydrophobicContact CH2-CG 4.05Å; W309-R339 HydrophobicContact CZ3-CB 4.08Å; W309-R339 HydrophobicContact CZ3-CG 3.72Å; W309-C344 HydrophobicContact CZ3-CB 4.32Å; W309-F347 VanDerWaalsContact O-CB 3.3Å; W309-F347 WeakPolarHBondContact O-CB 3.42Å; W309-F347 WeakPolarHBondContact O-CD2 3.38Å; W309-F347 WeakPolarHBondContact O-CG 3.25Å
310M98.7Very high97.6Very high1 Ų133.1 Ų33.11%0.00514%0.144CC..  trans-96.50.6-171.9-64.4178.669.300114.9W201 L203 F261 A306 E312 Y313 K314 F347W201-M310 HydrophobicContact CE3-CE 4.41Å; W201-M310 HydrophobicContact CZ3-CE 4.19Å; L203-M310 HydrophobicContact CD1-SD 4.12Å; L203-M310 HydrophobicContact CD2-CE 4.24Å; L203-M310 HydrophobicContact CD2-SD 4.04Å; L203-M310 HydrophobicContact CG-SD 4.43Å; F261-M310 HydrophobicContact CE2-CG 4.07Å; A306-M310 HydrophobicContact CB-CB 4.43Å; A306-M310 HydrophobicContact CB-CG 4.38Å; A306-M310 HydrophobicContact CB-SD 3.72Å; A306-M310 WeakPolarHBondContact O-CB 3.47Å; A306-M310 PolarHBondContact O-N 2.96Å; A306-M310 VanDerWaalsContact O-N 3.13Å; M310-E312 PolarHBondContact O-N 2.92Å; M310-Y313 WeakPolarHBondContact O-CA 3.36Å; M310-Y313 VanDerWaalsContact O-CB 3.23Å; M310-Y313 WeakPolarHBondContact O-CB 3.48Å; M310-Y313 PolarHBondContact O-N 3.29Å; M310-K314 HydrophobicContact CB-CB 4.23Å; M310-F347 HydrophobicContact CB-CD1 4.41Å; M310-F347 HydrophobicContact CB-CD2 4.48Å; M310-F347 HydrophobicContact CB-CE1 4.42Å; M310-F347 HydrophobicContact CB-CE2 4.49Å; M310-F347 HydrophobicContact CB-CG 4.41Å; M310-F347 HydrophobicContact CB-CZ 4.44Å; M310-F347 HydrophobicContact CE-CE1 4.34Å; M310-F347 HydrophobicContact CE-CZ 4.21Å; M310-F347 HydrophobicContact CG-CD2 4.29Å; M310-F347 HydrophobicContact CG-CE1 4.33Å; M310-F347 HydrophobicContact CG-CE2 3.89Å; M310-F347 HydrophobicContact CG-CZ 3.89Å
311D98.6Very high97.4Very high42 Ų4234 Ų3423%0.22515%0.148CC..G310 helixtrans47-129.7178.8-59.9-30.7000112.6Y313 K314 R339 S346 F347D311-Y313 PolarHBondContact O-N 2.99Å; D311-K314 WeakPolarHBondContact O-CD 3.24Å; D311-K314 VanDerWaalsContact O-CG 3.24Å; D311-K314 WeakPolarHBondContact O-CG 3.25Å; D311-R339 IonicContact OD1-CZ 2.66Å; D311-R339 IonicContact OD1-NH1 2.6Å; D311-R339 PolarHBondContact OD1-NH1 3.48Å; D311-R339 IonicContact OD1-NH2 2.78Å; D311-R339 PolarHBondContact OD1-NH2 3.28Å; D311-R339 IonicContact OD2-CZ 3.88Å; D311-R339 IonicContact OD2-NH2 3.76Å; D311-R339 PolarHBondContact OD2-NH2 3.29Å; D311-S346 WeakPolarHBondContact OD2-CA 3.38Å; D311-F347 HydrophobicContact CB-CB 4.15Å; D311-F347 PolarHBondContact OD2-N 3.32Å
312E98.2Very high97.2Very high103 Ų10337.9 Ų37.948%0.48117%0.173SC..G310 helixtrans-66.2-20.4175.767-88.5-152.600113.7M310 K314 E315M310-E312 PolarHBondContact O-N 2.92Å; E312-K314 VanDerWaalsContact C-N 3.26Å; E312-K314 PolarHBondContact O-N 3.06Å; E312-E315 WeakPolarHBondContact O-CB 3.27Å; E312-E315 PolarHBondContact O-N 2.95Å
313Y98.4Very high97Very high31 Ų3145.9 Ų45.912%0.12220%0.203CC..G310 helixtrans-74.3-15.2-176.4-68.1-106.3000113.3W201 M310 D311 E315 Y316 F347 K348 M351 L364W201-Y313 AromaticContact CH2-CD1 3.52Å; W201-Y313 HydrophobicContact CH2-CD1 3.52Å; W201-Y313 HydrophobicContact CH2-CE1 4.16Å; W201-Y313 HydrophobicContact CH2-CG 4.44Å; W201-Y313 HydrophobicContact CZ2-CD1 4.5Å; W201-Y313 AromaticContact CZ3-CD1 3.75Å; W201-Y313 HydrophobicContact CZ3-CD1 3.75Å; W201-Y313 HydrophobicContact CZ3-CG 4.33Å; M310-Y313 WeakPolarHBondContact O-CA 3.36Å; M310-Y313 VanDerWaalsContact O-CB 3.23Å; M310-Y313 WeakPolarHBondContact O-CB 3.48Å; M310-Y313 PolarHBondContact O-N 3.29Å; D311-Y313 PolarHBondContact O-N 2.99Å; Y313-E315 PolarHBondContact O-N 3.24Å; Y313-E315 VanDerWaalsContact O-N 3.13Å; Y313-Y316 AromaticContact CD1-CD2 3.99Å; Y313-Y316 HydrophobicContact CD1-CD2 3.99Å; Y313-Y316 AromaticContact CD1-CE2 3.87Å; Y313-Y316 HydrophobicContact CD1-CE2 3.87Å; Y313-Y316 HydrophobicContact CE1-CE2 4.48Å; Y313-Y316 HydrophobicContact CG-CD2 4.33Å; Y313-Y316 HydrophobicContact CG-CE2 4.28Å; Y313-Y316 WeakPolarHBondContact O-CD2 3.43Å; Y313-Y316 PolarHBondContact O-N 2.81Å; Y313-F347 HydrophobicContact CD1-CD1 4.27Å; Y313-F347 HydrophobicContact CD1-CE1 4.3Å; Y313-F347 AromaticContact CD2-CD1 3.6Å; Y313-F347 HydrophobicContact CD2-CD1 3.6Å; Y313-F347 HydrophobicContact CD2-CE1 4.38Å; Y313-F347 HydrophobicContact CE2-CD1 4.29Å; Y313-F347 AromaticContact CG-CD1 3.58Å; Y313-F347 HydrophobicContact CG-CD1 3.58Å; Y313-F347 AromaticContact CG-CE1 3.92Å; Y313-F347 HydrophobicContact CG-CE1 3.92Å; Y313-K348 HydrophobicContact CE2-CB 4.04Å; Y313-M351 HydrophobicContact CD1-CG 4.31Å; Y313-M351 HydrophobicContact CE1-CB 4.4Å; Y313-M351 HydrophobicContact CE1-CG 3.94Å; Y313-L364 HydrophobicContact CD1-CD2 3.62Å; Y313-L364 HydrophobicContact CE1-CD1 4.3Å; Y313-L364 HydrophobicContact CE1-CD2 3.74Å
314K98.1Very high96.9Very high48 Ų4845.5 Ų45.521%0.20920%0.201CC..Hα-helixtrans-56.7-26.3171.372.3-169.5178.8179.10112.7A306 E307 M310 D311 E312 Y316 L317 Y318A306-K314 HydrophobicContact CB-CB 3.86Å; E307-K314 IonicContact OE1-NZ 2.68Å; E307-K314 IonicContact OE2-NZ 3.97Å; E307-K314 PolarHBondContact OE2-NZ 2.97Å; M310-K314 HydrophobicContact CB-CB 4.23Å; D311-K314 WeakPolarHBondContact O-CD 3.24Å; D311-K314 VanDerWaalsContact O-CG 3.24Å; D311-K314 WeakPolarHBondContact O-CG 3.25Å; E312-K314 VanDerWaalsContact C-N 3.26Å; E312-K314 PolarHBondContact O-N 3.06Å; K314-Y316 PolarHBondContact O-N 2.79Å; K314-L317 WeakPolarHBondContact O-CB 3.44Å; K314-L317 PolarHBondContact O-N 3.42Å; K314-L317 VanDerWaalsContact O-N 3.12Å; K314-Y318 HydrophobicContact CB-CE2 4.11Å; K314-Y318 HydrophobicContact CD-CE2 4.06Å; K314-Y318 HydrophobicContact CG-CD2 4.3Å; K314-Y318 HydrophobicContact CG-CE2 3.86Å; K314-Y318 WeakPolarHBondContact O-CD2 3.25Å; K314-Y318 PolarHBondContact O-N 3.29Å
315E97.8Very high96.8Very high64 Ų6450.1 Ų50.130%0.29922%0.218SC..Hα-helixtrans-64.8-28.1177.5-67.6-59.6133.100112.5E312 Y313 L317 Y318 K319 R325E312-E315 WeakPolarHBondContact O-CB 3.27Å; E312-E315 PolarHBondContact O-N 2.95Å; Y313-E315 PolarHBondContact O-N 3.24Å; Y313-E315 VanDerWaalsContact O-N 3.13Å; E315-L317 VanDerWaalsContact C-N 3.35Å; E315-Y318 PolarHBondContact O-N 3.33Å; E315-K319 WeakPolarHBondContact O-CB 3.47Å; E315-K319 VanDerWaalsContact O-CG 3.23Å; E315-K319 WeakPolarHBondContact O-CG 3.35Å; E315-K319 PolarHBondContact O-N 3.35Å; E315-R325 IonicContact OE1-CZ 2.82Å; E315-R325 IonicContact OE1-NH1 3.88Å; E315-R325 PolarHBondContact OE1-NH1 3.35Å; E315-R325 IonicContact OE1-NH2 3.84Å; E315-R325 IonicContact OE2-CZ 3.62Å; E315-R325 IonicContact OE2-NH1 2.97Å; E315-R325 PolarHBondContact OE2-NH1 3.3Å; E315-R325 IonicContact OE2-NH2 3.93Å; E315-R325 PolarHBondContact OE2-NH2 2.92Å
316Y97.1Very high96.6Very high55 Ų5556.7 Ų56.722%0.21625%0.253CS..Hα-helixtrans-72.2-30.3174.8-58.6-69.7000112.6W201 Y313 K314 R320 L364 I365W201-Y316 HydrophobicContact CE3-CD2 4.35Å; W201-Y316 HydrophobicContact CE3-CG 4.39Å; W201-Y316 HydrophobicContact CZ3-CD2 4.4Å; Y313-Y316 AromaticContact CD1-CD2 3.99Å; Y313-Y316 HydrophobicContact CD1-CD2 3.99Å; Y313-Y316 AromaticContact CD1-CE2 3.87Å; Y313-Y316 HydrophobicContact CD1-CE2 3.87Å; Y313-Y316 HydrophobicContact CE1-CE2 4.48Å; Y313-Y316 HydrophobicContact CG-CD2 4.33Å; Y313-Y316 HydrophobicContact CG-CE2 4.28Å; Y313-Y316 WeakPolarHBondContact O-CD2 3.43Å; Y313-Y316 PolarHBondContact O-N 2.81Å; K314-Y316 PolarHBondContact O-N 2.79Å; Y316-R320 PolarHBondContact O-NH1 2.82Å; Y316-L364 HydrophobicContact CD1-CB 3.91Å; Y316-L364 HydrophobicContact CD1-CD2 4.4Å; Y316-L364 VanDerWaalsContact CD1-O 3.32Å; Y316-L364 WeakPolarHBondContact CD1-O 3.33Å; Y316-L364 HydrophobicContact CD2-CD2 3.56Å; Y316-L364 HydrophobicContact CE1-CB 3.66Å; Y316-L364 HydrophobicContact CE1-CD2 4.36Å; Y316-L364 HydrophobicContact CE1-CG 4.44Å; Y316-L364 HydrophobicContact CE2-CB 4.35Å; Y316-L364 HydrophobicContact CE2-CD1 4.28Å; Y316-L364 HydrophobicContact CE2-CD2 3.54Å; Y316-L364 HydrophobicContact CE2-CG 4.28Å; Y316-L364 HydrophobicContact CG-CB 4.35Å; Y316-L364 HydrophobicContact CG-CD2 4.02Å; Y316-I365 HydrophobicContact CE1-CG1 4.31Å
317L96.6Very high96.4Very high0 Ų058.2 Ų58.20%026%0.261CS..Hα-helixtrans-67.8-51.4169.4175.864.5000110.7W201 L203 A306 K314 E315 K319 R320 R321 Y324W201-L317 VanDerWaalsContact O-CA 3.25Å; W201-L317 WeakPolarHBondContact O-CA 3.4Å; L203-L317 HydrophobicContact CD1-CD2 3.81Å; L203-L317 HydrophobicContact CG-CD1 4.28Å; L203-L317 HydrophobicContact CG-CD2 4.3Å; A306-L317 HydrophobicContact CB-CD2 3.81Å; K314-L317 WeakPolarHBondContact O-CB 3.44Å; K314-L317 PolarHBondContact O-N 3.42Å; K314-L317 VanDerWaalsContact O-N 3.12Å; E315-L317 VanDerWaalsContact C-N 3.35Å; L317-K319 VanDerWaalsContact C-N 3.29Å; L317-K319 PolarHBondContact O-N 3.46Å; L317-R320 PolarHBondContact O-N 3.5Å; L317-R320 VanDerWaalsContact O-N 3.11Å; L317-R321 PolarHBondContact O-N 2.62Å; L317-Y324 HydrophobicContact CD1-CD2 4.09Å; L317-Y324 HydrophobicContact CD1-CE2 4.08Å; L317-Y324 HydrophobicContact CD2-CD2 4.28Å; L317-Y324 HydrophobicContact CG-CD2 4.12Å
318Y96.7Very high96.3Very high3 Ų362.2 Ų62.21%0.01228%0.284CS..Hα-helixtrans-67.5-26.8-177.8-59.6-28.9000113.5K303 E307 K314 E315 R321 P322 R325K303-Y318 WeakPolarHBondContact CG-OH 3.47Å; E307-Y318 WeakPolarHBondContact CG-OH 3.37Å; E307-Y318 WeakPolarHBondContact OE1-CE2 3.36Å; E307-Y318 PolarHBondContact OE1-OH 3.17Å; K314-Y318 HydrophobicContact CB-CE2 4.11Å; K314-Y318 HydrophobicContact CD-CE2 4.06Å; K314-Y318 HydrophobicContact CG-CD2 4.3Å; K314-Y318 HydrophobicContact CG-CE2 3.86Å; K314-Y318 WeakPolarHBondContact O-CD2 3.25Å; K314-Y318 PolarHBondContact O-N 3.29Å; E315-Y318 PolarHBondContact O-N 3.33Å; Y318-R321 CarbonylContact O-C 3.41Å; Y318-R321 VanDerWaalsContact O-C 3.29Å; Y318-P322 WeakPolarHBondContact O-CA 3.44Å; Y318-P322 VanDerWaalsContact O-N 3.07Å; Y318-R325 VanDerWaalsContact CB-NH2 3.3Å
319K94.5Very high96.2Very high135 Ų13562.5 Ų62.559%0.58729%0.287SS*.Hα-helixtrans-65.7-37.3171.3-78.7173.5-176.1-179.40112.6E315 L317E315-K319 WeakPolarHBondContact O-CB 3.47Å; E315-K319 VanDerWaalsContact O-CG 3.23Å; E315-K319 WeakPolarHBondContact O-CG 3.35Å; E315-K319 PolarHBondContact O-N 3.35Å; L317-K319 VanDerWaalsContact C-N 3.29Å; L317-K319 PolarHBondContact O-N 3.46Å
320R92.2Very high96Very high55 Ų5563.7 Ų63.721%0.20830%0.3CS..Hα-helixtrans-84.1-32.5178.9-69.4180173.679-6.6112.8W201 E202 Y316 L317 P322 P363 L364 E366W201-R320 VanDerWaalsContact CB-NH1 3.27Å; E202-R320 HydrophobicContact CG-CB 3.89Å; E202-R320 HydrophobicContact CG-CG 4.39Å; Y316-R320 PolarHBondContact O-NH1 2.82Å; L317-R320 PolarHBondContact O-N 3.5Å; L317-R320 VanDerWaalsContact O-N 3.11Å; R320-P322 VanDerWaalsContact C-CD 3.46Å; R320-P322 WeakPolarHBondContact O-CD 3.42Å; R320-P363 PolarHBondContact NH2-O 2.9Å; R320-P363 VanDerWaalsContact NH2-O 3.15Å; R320-L364 PolarHBondContact NH1-O 3.4Å; R320-L364 PolarHBondContact NH2-O 3.03Å; R320-E366 IonicContact CZ-OE1 2.66Å; R320-E366 IonicContact NE-OE1 3.93Å; R320-E366 PolarHBondContact NE-OE1 3.5Å; R320-E366 IonicContact NH2-OE1 3.21Å; R320-E366 PolarHBondContact NH2-OE1 2.86Å; R320-E366 VanDerWaalsContact NH2-OE1 3.13Å
321R92.8Very high96Very high85 Ų8568.7 Ų68.732%0.32133%0.326SS..  trans-123.172176-61.8-70170.4179.8-9.5111.1E202 Y204 L317 Y318 R323 Y324E202-R321 IonicContact OE1-CZ 2.97Å; E202-R321 IonicContact OE1-NE 2.72Å; E202-R321 PolarHBondContact OE1-NE 3.03Å; E202-R321 IonicContact OE1-NH2 2.82Å; E202-R321 PolarHBondContact OE1-NH2 3.29Å; E202-R321 IonicContact OE2-NH2 3.75Å; E202-R321 PolarHBondContact OE2-NH2 2.92Å; Y204-R321 PolarHBondContact OH-NH2 3.47Å; L317-R321 PolarHBondContact O-N 2.62Å; Y318-R321 CarbonylContact O-C 3.41Å; Y318-R321 VanDerWaalsContact O-C 3.29Å; R321-R323 PolarHBondContact O-N 2.82Å; R321-R323 VanDerWaalsContact O-N 3.12Å; R321-Y324 HydrophobicContact CB-CD1 4.15Å; R321-Y324 HydrophobicContact CB-CD2 3.45Å; R321-Y324 VanDerWaalsContact CB-CD2 3.45Å; R321-Y324 HydrophobicContact CB-CE1 4.22Å; R321-Y324 HydrophobicContact CB-CE2 3.54Å; R321-Y324 HydrophobicContact CB-CG 3.77Å; R321-Y324 HydrophobicContact CG-CD2 4.09Å; R321-Y324 HydrophobicContact CG-CE2 3.63Å; R321-Y324 WeakPolarHBondContact O-CB 3.48Å; R321-Y324 PolarHBondContact O-N 3.19Å
322P94.7Very high96Very high81 Ų8167.4 Ų67.453%0.52632%0.319SS..G310 helixtrans-53-37.9-177.4-28.835.9000114.1Y318 R320 Y324 R325Y318-P322 WeakPolarHBondContact O-CA 3.44Å; Y318-P322 VanDerWaalsContact O-N 3.07Å; R320-P322 VanDerWaalsContact C-CD 3.46Å; R320-P322 WeakPolarHBondContact O-CD 3.42Å; P322-Y324 PolarHBondContact O-N 2.88Å; P322-Y324 VanDerWaalsContact O-N 3.12Å; P322-R325 VanDerWaalsContact O-CB 3.3Å; P322-R325 WeakPolarHBondContact O-CB 3.43Å; P322-R325 PolarHBondContact O-N 2.86Å
323R93.9Very high96Very high175 Ų17566 Ų6666%0.6632%0.317SS*.G310 helixtrans-56.6-28178.5-175.8179.2175.6168.7-0.3113.6R321 R325 D326R321-R323 PolarHBondContact O-N 2.82Å; R321-R323 VanDerWaalsContact O-N 3.12Å; R323-R325 PolarHBondContact O-N 2.69Å; R323-D326 PolarHBondContact O-N 3.2Å
324Y95.7Very high95.9Very high19 Ų1971.2 Ų71.28%0.07534%0.341CS..G310 helixtrans-65.3-25.3178.8-66.4-6000112.1G299 Y302 K303 L317 R321 P322 D326 L327G299-Y324 VanDerWaalsContact CA-CE1 3.44Å; Y302-Y324 HydrophobicContact CD2-CE2 4.03Å; K303-Y324 WeakPolarHBondContact CD-O 3.37Å; L317-Y324 HydrophobicContact CD1-CD2 4.09Å; L317-Y324 HydrophobicContact CD1-CE2 4.08Å; L317-Y324 HydrophobicContact CD2-CD2 4.28Å; L317-Y324 HydrophobicContact CG-CD2 4.12Å; R321-Y324 HydrophobicContact CB-CD1 4.15Å; R321-Y324 HydrophobicContact CB-CD2 3.45Å; R321-Y324 VanDerWaalsContact CB-CD2 3.45Å; R321-Y324 HydrophobicContact CB-CE1 4.22Å; R321-Y324 HydrophobicContact CB-CE2 3.54Å; R321-Y324 HydrophobicContact CB-CG 3.77Å; R321-Y324 HydrophobicContact CG-CD2 4.09Å; R321-Y324 HydrophobicContact CG-CE2 3.63Å; R321-Y324 WeakPolarHBondContact O-CB 3.48Å; R321-Y324 PolarHBondContact O-N 3.19Å; P322-Y324 PolarHBondContact O-N 2.88Å; P322-Y324 VanDerWaalsContact O-N 3.12Å; Y324-D326 PolarHBondContact O-N 2.83Å; Y324-L327 HydrophobicContact CD1-CD1 3.78Å; Y324-L327 HydrophobicContact CE1-CD1 4.5Å; Y324-L327 HydrophobicContact CG-CD1 4.4Å; Y324-L327 PolarHBondContact O-N 3.31Å
325R95Very high95.9Very high107 Ų10769.2 Ų69.240%0.40433%0.333SS..G310 helixtrans-61.7-32.2177-163176.8-63.4-86.46.3112K303 E315 Y318 P322 R323K303-R325 PolarHBondContact NZ-O 2.99Å; E315-R325 IonicContact OE1-CZ 2.82Å; E315-R325 IonicContact OE1-NH1 3.88Å; E315-R325 PolarHBondContact OE1-NH1 3.35Å; E315-R325 IonicContact OE1-NH2 3.84Å; E315-R325 IonicContact OE2-CZ 3.62Å; E315-R325 IonicContact OE2-NH1 2.97Å; E315-R325 PolarHBondContact OE2-NH1 3.3Å; E315-R325 IonicContact OE2-NH2 3.93Å; E315-R325 PolarHBondContact OE2-NH2 2.92Å; Y318-R325 VanDerWaalsContact CB-NH2 3.3Å; P322-R325 VanDerWaalsContact O-CB 3.3Å; P322-R325 WeakPolarHBondContact O-CB 3.43Å; P322-R325 PolarHBondContact O-N 2.86Å; R323-R325 PolarHBondContact O-N 2.69Å
326D94.9Very high95.9Very high139 Ų13972.1 Ų72.174%0.74334%0.341SS*.G310 helixtrans-89.9-9.3-175.8-53.2-40.9000113.8R323 Y324R323-D326 PolarHBondContact O-N 3.2Å; Y324-D326 PolarHBondContact O-N 2.83Å
327L95.5Very high96Very high32 Ų3274.6 Ų74.617%0.16835%0.354CS..SBendtrans-70.5140.6179.4-63.9177.2000111.6K303 Y324 A329K303-L327 HydrophobicContact CD-CB 4.17Å; K303-L327 WeakPolarHBondContact CD-O 3.21Å; K303-L327 WeakPolarHBondContact CE-O 3.48Å; K303-L327 PolarHBondContact NZ-O 2.83Å; Y324-L327 HydrophobicContact CD1-CD1 3.78Å; Y324-L327 HydrophobicContact CE1-CD1 4.5Å; Y324-L327 HydrophobicContact CG-CD1 4.4Å; Y324-L327 PolarHBondContact O-N 3.31Å; L327-A329 PolarHBondContact O-N 2.7Å
328D95.4Very high96Very high127 Ų12776 Ų7668%0.67936%0.362SS*.  trans-76.1114170.5-179.717.4000110.7R300 G330R300-D328 WeakPolarHBondContact CD-O 3.31Å; R300-D328 WeakPolarHBondContact CG-O 3.33Å; R300-D328 PolarHBondContact NE-O 2.67Å; R300-D328 VanDerWaalsContact NE-O 3.15Å; D328-G330 PolarHBondContact O-N 2.85Å; D328-G330 PolarHBondContact OD1-N 3.09Å
329A95.8Very high96.1Very high9 Ų978.1 Ų78.17%0.07437%0.369CS..  trans-71.2-20.217700000111.7R300 K303 R304 L327 L332R300-A329 PolarHBondContact NH2-O 3.01Å; K303-A329 HydrophobicContact CD-CB 3.88Å; K303-A329 HydrophobicContact CG-CB 4.04Å; R304-A329 VanDerWaalsContact CD-O 3.3Å; R304-A329 WeakPolarHBondContact CD-O 3.45Å; R304-A329 HydrophobicContact CG-CB 4.02Å; R304-A329 VanDerWaalsContact CG-O 3.27Å; R304-A329 WeakPolarHBondContact CG-O 3.42Å; R304-A329 PolarHBondContact NH1-O 2.96Å; L327-A329 PolarHBondContact O-N 2.7Å; A329-L332 HydrophobicContact CB-CD1 4.27Å
330G96.1Very high96.2Very high27 Ų2778.7 Ų78.728%0.27837%0.374SS..  trans71.1-172.5-165.500000112.6D328 L332D328-G330 PolarHBondContact O-N 2.85Å; D328-G330 PolarHBondContact OD1-N 3.09Å; G330-L332 PolarHBondContact O-N 2.6Å
331D97.8Very high96.5Very high105 Ų10584.5 Ų84.556%0.56140%0.401SS*.  trans-65.6132.3-179.3-179.225.4000112.4R304 T333R304-D331 PolarHBondContact NH1-O 2.66Å; R304-D331 PolarHBondContact NH2-O 2.81Å; D331-T333 VanDerWaalsContact OD1-CB 3.26Å; D331-T333 WeakPolarHBondContact OD1-CB 3.43Å; D331-T333 PolarHBondContact OD1-N 2.85Å; D331-T333 PolarHBondContact OD1-OG1 2.81Å
332L98.2Very high96.7Very high15 Ų1582.6 Ų82.68%0.07940%0.397CS..  trans-117.51.5-180-62.6177000112.8R304 E307 V308 A329 G330 K334 Q335 R336R304-L332 HydrophobicContact CB-CD2 4.02Å; R304-L332 HydrophobicContact CG-CD2 4Å; E307-L332 HydrophobicContact CB-CD1 3.53Å; E307-L332 HydrophobicContact CG-CD1 4.25Å; V308-L332 HydrophobicContact CG2-CB 4.18Å; V308-L332 HydrophobicContact CG2-CD1 4.18Å; V308-L332 HydrophobicContact CG2-CD2 3.9Å; V308-L332 HydrophobicContact CG2-CG 4.32Å; A329-L332 HydrophobicContact CB-CD1 4.27Å; G330-L332 PolarHBondContact O-N 2.6Å; L332-K334 PolarHBondContact O-N 3.25Å; L332-Q335 PolarHBondContact O-N 3.3Å; L332-Q335 VanDerWaalsContact O-N 3.11Å; L332-R336 PolarHBondContact O-N 3.25Å
333T98.2Very high96.9Very high73 Ų7387.7 Ų87.745%0.44841%0.411SS..Hα-helixtrans-54.2-53.2-172.4-55.40000111.5D331 Q335 R336 E337D331-T333 VanDerWaalsContact OD1-CB 3.26Å; D331-T333 WeakPolarHBondContact OD1-CB 3.43Å; D331-T333 PolarHBondContact OD1-N 2.85Å; D331-T333 PolarHBondContact OD1-OG1 2.81Å; T333-Q335 VanDerWaalsContact C-N 3.29Å; T333-Q335 PolarHBondContact O-N 2.83Å; T333-R336 PolarHBondContact O-N 3.23Å; T333-R336 VanDerWaalsContact O-N 3.13Å; T333-E337 HydrophobicContact CG2-CG 4.46Å; T333-E337 WeakPolarHBondContact O-CG 3.39Å; T333-E337 PolarHBondContact O-N 3.29Å
334K97Very high97.1Very high141 Ų14180.2 Ų80.261%0.61339%0.385SS*.Hα-helixtrans-59.3-36179.4-66.7-175.2179.2179.90113.8L332 I338L332-K334 PolarHBondContact O-N 3.25Å; K334-I338 WeakPolarHBondContact O-CG1 3.15Å; K334-I338 PolarHBondContact O-N 2.75Å; K334-I338 VanDerWaalsContact O-N 3.12Å
335Q98.2Very high97.3Very high7 Ų784.1 Ų84.13%0.03340%0.403CS..Hα-helixtrans-71.9-37.3179.4-61.8-51.1-42.900111.5D246 K262 V308 L332 T333 I338 R339D246-Q335 HydrophobicContact CB-CG 4.02Å; D246-Q335 WeakPolarHBondContact OD1-CG 3.45Å; D246-Q335 PolarHBondContact OD1-NE2 3.04Å; D246-Q335 VanDerWaalsContact OD1-NE2 3.08Å; K262-Q335 VanDerWaalsContact NZ-OE1 3.16Å; V308-Q335 HydrophobicContact CB-CB 4.48Å; V308-Q335 HydrophobicContact CG1-CB 3.9Å; V308-Q335 HydrophobicContact CG2-CB 3.83Å; L332-Q335 PolarHBondContact O-N 3.3Å; L332-Q335 VanDerWaalsContact O-N 3.11Å; T333-Q335 VanDerWaalsContact C-N 3.29Å; T333-Q335 PolarHBondContact O-N 2.83Å; Q335-I338 PolarHBondContact O-N 3.07Å; Q335-R339 PolarHBondContact O-N 3.4Å
336R98.2Very high97.4Very high124 Ų12481.4 Ų81.447%0.46840%0.4SS..Hα-helixtrans-66.7-42.3173.3-67.4178177.3175.3-0.2111.7L332 T333 I338 R339 E340L332-R336 PolarHBondContact O-N 3.25Å; T333-R336 PolarHBondContact O-N 3.23Å; T333-R336 VanDerWaalsContact O-N 3.13Å; R336-I338 VanDerWaalsContact C-N 3.32Å; R336-I338 PolarHBondContact O-N 3.26Å; R336-R339 WeakPolarHBondContact O-CB 3.24Å; R336-R339 PolarHBondContact O-N 2.86Å; R336-R339 VanDerWaalsContact O-N 3.1Å; R336-E340 WeakPolarHBondContact O-CG 3.08Å; R336-E340 PolarHBondContact O-N 3.14Å
337E97.9Very high97.6Very high107 Ų10774.8 Ų74.850%0.537%0.365SS..Hα-helixtrans-58.8-40.8175.4-73173.2170.200112.4T333 E340 K341T333-E337 HydrophobicContact CG2-CG 4.46Å; T333-E337 WeakPolarHBondContact O-CG 3.39Å; T333-E337 PolarHBondContact O-N 3.29Å; E337-E340 PolarHBondContact O-N 3.23Å; E337-K341 WeakPolarHBondContact O-CB 3.5Å; E337-K341 PolarHBondContact O-N 3.26Å
338I97.2Very high97.8Very high31 Ų3178.8 Ų78.816%0.15938%0.381CS..Hα-helixtrans-60.5-47.5174.2-70.2163000110.3K334 Q335 R336 E340 K341 L342K334-I338 WeakPolarHBondContact O-CG1 3.15Å; K334-I338 PolarHBondContact O-N 2.75Å; K334-I338 VanDerWaalsContact O-N 3.12Å; Q335-I338 PolarHBondContact O-N 3.07Å; R336-I338 VanDerWaalsContact C-N 3.32Å; R336-I338 PolarHBondContact O-N 3.26Å; I338-E340 VanDerWaalsContact C-N 3.32Å; I338-E340 PolarHBondContact O-N 3.32Å; I338-K341 PolarHBondContact O-N 3.46Å; I338-L342 HydrophobicContact CG2-CD1 3.85Å; I338-L342 HydrophobicContact CG2-CG 4.48Å; I338-L342 WeakPolarHBondContact O-CB 3.33Å; I338-L342 WeakPolarHBondContact O-CG 3.43Å; I338-L342 PolarHBondContact O-N 3.39Å
339R98Very high97.9Very high46 Ų4675.9 Ų75.917%0.17436%0.36CS..Hα-helixtrans-59.5-42.6-179.7-171.1178177.6-166.4-4.7112V308 W309 D311 Q335 R336 K343 C344V308-R339 WeakPolarHBondContact O-CD 3.38Å; V308-R339 PolarHBondContact O-NH1 3.47Å; W309-R339 HydrophobicContact CE3-CG 4.38Å; W309-R339 HydrophobicContact CH2-CB 3.87Å; W309-R339 HydrophobicContact CH2-CG 4.05Å; W309-R339 HydrophobicContact CZ3-CB 4.08Å; W309-R339 HydrophobicContact CZ3-CG 3.72Å; D311-R339 IonicContact OD1-CZ 2.66Å; D311-R339 IonicContact OD1-NH1 2.6Å; D311-R339 PolarHBondContact OD1-NH1 3.48Å; D311-R339 IonicContact OD1-NH2 2.78Å; D311-R339 PolarHBondContact OD1-NH2 3.28Å; D311-R339 IonicContact OD2-CZ 3.88Å; D311-R339 IonicContact OD2-NH2 3.76Å; D311-R339 PolarHBondContact OD2-NH2 3.29Å; Q335-R339 PolarHBondContact O-N 3.4Å; R336-R339 WeakPolarHBondContact O-CB 3.24Å; R336-R339 PolarHBondContact O-N 2.86Å; R336-R339 VanDerWaalsContact O-N 3.1Å; R339-K343 PolarHBondContact O-N 3.48Å; R339-C344 HydrophobicContact CG-CB 3.87Å; R339-C344 PolarHBondContact O-N 3.18Å; R339-C344 PolarHBondContact O-SG 2.98Å; R339-C344 VanDerWaalsContact O-SG 3.36Å
340E98Very high98.1Very high147 Ų14775.4 Ų75.469%0.68736%0.357SS*.Hα-helixtrans-69.4-49.8177.3-71173.7-171.500112R336 E337 I338 L342 K343R336-E340 WeakPolarHBondContact O-CG 3.08Å; R336-E340 PolarHBondContact O-N 3.14Å; E337-E340 PolarHBondContact O-N 3.23Å; I338-E340 VanDerWaalsContact C-N 3.32Å; I338-E340 PolarHBondContact O-N 3.32Å; E340-L342 VanDerWaalsContact C-N 3.3Å; E340-L342 PolarHBondContact O-N 3.08Å; E340-K343 PolarHBondContact O-N 3.14Å
341K97.7Very high98.2Very high177 Ų17774.6 Ų74.677%0.7735%0.346SS*.Hα-helixtrans-57-42.7-179.2177.9-176.3174-1740112.2E337 I338 K343E337-K341 WeakPolarHBondContact O-CB 3.5Å; E337-K341 PolarHBondContact O-N 3.26Å; I338-K341 PolarHBondContact O-N 3.46Å; K341-K343 VanDerWaalsContact C-N 3.25Å; K341-K343 PolarHBondContact O-N 3.08Å
342L98Very high98.2Very high46 Ų4673.3 Ų73.324%0.24134%0.342CS..THydrogen-bonded Turntrans-83.30.7-180-64.8179000113.3L242 C266 I338 E340 C344L242-L342 HydrophobicContact CD2-CD1 3.96Å; C266-L342 HydrophobicContact CB-CB 4.14Å; C266-L342 HydrophobicContact CB-CD1 4.02Å; I338-L342 HydrophobicContact CG2-CD1 3.85Å; I338-L342 HydrophobicContact CG2-CG 4.48Å; I338-L342 WeakPolarHBondContact O-CB 3.33Å; I338-L342 WeakPolarHBondContact O-CG 3.43Å; I338-L342 PolarHBondContact O-N 3.39Å; E340-L342 VanDerWaalsContact C-N 3.3Å; E340-L342 PolarHBondContact O-N 3.08Å; L342-C344 VanDerWaalsContact CB-SG 3.58Å; L342-C344 PolarHBondContact O-N 3.11Å
343K98.2Very high98.2Very high187 Ų18777.9 Ų77.981%0.81336%0.363SS*.THydrogen-bonded Turntrans51.444.6-177.8-57.2-178.7-179.6-179.10111.8R339 E340 K341R339-K343 PolarHBondContact O-N 3.48Å; E340-K343 PolarHBondContact O-N 3.14Å; K341-K343 VanDerWaalsContact C-N 3.25Å; K341-K343 PolarHBondContact O-N 3.08Å
344C98.6Very high98.2Very high19 Ų1975.4 Ų75.413%0.12835%0.347CS..PPolyproline II helixtrans-65.5145.8-175.1-48.80000110.9M265 C266 W309 R339 L342M265-C344 HydrophobicContact CB-CB 4.19Å; M265-C344 CarbonylContact O-C 3.55Å; M265-C344 WeakPolarHBondContact O-CA 3.45Å; M265-C344 WeakPolarHBondContact O-CB 3.31Å; C266-C344 HydrophobicContact CB-CB 4.06Å; C266-C344 WeakPolarHBondContact CB-SG 3.29Å; C266-C344 WeakPolarHBondContact SG-CB 3.35Å; C266-C344 CovalentContact SG-SG 2.04Å; C266-C344 PolarHBondContact SG-SG 3.43Å; W309-C344 HydrophobicContact CZ3-CB 4.32Å; R339-C344 HydrophobicContact CG-CB 3.87Å; R339-C344 PolarHBondContact O-N 3.18Å; R339-C344 PolarHBondContact O-SG 2.98Å; R339-C344 VanDerWaalsContact O-SG 3.36Å; L342-C344 VanDerWaalsContact CB-SG 3.58Å; L342-C344 PolarHBondContact O-N 3.11Å
345K98.7Very high98.2Very high100 Ų10068.7 Ų68.744%0.43532%0.317SS..PPolyproline II helixtrans-68.4167.9178.3-58.5-180-175.8-78.90111M265 W349M265-K345 WeakPolarHBondContact CE-O 3.44Å; M265-K345 PolarHBondContact O-N 3.37Å; K345-W349 HydrophobicContact CB-CB 4.12Å; K345-W349 HydrophobicContact CB-CD2 3.76Å; K345-W349 HydrophobicContact CB-CE3 3.66Å; K345-W349 HydrophobicContact CB-CG 3.93Å; K345-W349 HydrophobicContact CB-CZ3 4.4Å; K345-W349 HydrophobicContact CD-CD2 3.19Å; K345-W349 HydrophobicContact CD-CE3 3.54Å; K345-W349 HydrophobicContact CD-CG 3.72Å; K345-W349 HydrophobicContact CD-CH2 3.82Å; K345-W349 HydrophobicContact CD-CZ2 3.49Å; K345-W349 VanDerWaalsContact CD-CZ2 3.49Å; K345-W349 HydrophobicContact CD-CZ3 3.84Å; K345-W349 HydrophobicContact CG-CD2 4.11Å; K345-W349 HydrophobicContact CG-CE3 4.24Å; K345-W349 HydrophobicContact CG-CG 4.41Å
346S98.7Very high98.2Very high50 Ų5072.4 Ų72.435%0.3533%0.334SS..PPolyproline II helixtrans-72.7160.2175.961.40000112D311 K348 W349 F350D311-S346 WeakPolarHBondContact OD2-CA 3.38Å; S346-K348 PolarHBondContact O-N 2.88Å; S346-W349 WeakPolarHBondContact O-CB 3.48Å; S346-W349 PolarHBondContact O-N 3.16Å; S346-W349 PolarHBondContact OG-N 3.37Å; S346-W349 VanDerWaalsContact OG-N 3.1Å; S346-F350 PolarHBondContact O-N 3.47Å
347F98.7Very high98.1Very high0 Ų067.5 Ų67.50%032%0.316CS..Hα-helixtrans-65.4-33170.9-162.3-106.8000111.6F199 W201 F261 M265 W309 M310 D311 Y313 W349 F350 M351F199-F347 HydrophobicContact CE2-CZ 4.36Å; F199-F347 AromaticContact CZ-CZ 3.78Å; F199-F347 HydrophobicContact CZ-CZ 3.78Å; W201-F347 HydrophobicContact CH2-CE1 4.43Å; W201-F347 HydrophobicContact CZ3-CE1 4.32Å; F261-F347 AromaticContact CD1-CE2 3.95Å; F261-F347 HydrophobicContact CD1-CE2 3.95Å; F261-F347 HydrophobicContact CD2-CE2 4.13Å; F261-F347 AromaticContact CE1-CE2 3.68Å; F261-F347 HydrophobicContact CE1-CE2 3.68Å; F261-F347 HydrophobicContact CE1-CZ 4.22Å; F261-F347 AromaticContact CE2-CE2 3.85Å; F261-F347 HydrophobicContact CE2-CE2 3.85Å; F261-F347 HydrophobicContact CE2-CZ 4.43Å; F261-F347 HydrophobicContact CG-CE2 4.18Å; F261-F347 AromaticContact CZ-CE2 3.63Å; F261-F347 HydrophobicContact CZ-CE2 3.63Å; F261-F347 AromaticContact CZ-CZ 3.98Å; F261-F347 HydrophobicContact CZ-CZ 3.98Å; M265-F347 HydrophobicContact CE-CB 4.44Å; M265-F347 HydrophobicContact SD-CD2 4.11Å; W309-F347 VanDerWaalsContact O-CB 3.3Å; W309-F347 WeakPolarHBondContact O-CB 3.42Å; W309-F347 WeakPolarHBondContact O-CD2 3.38Å; W309-F347 WeakPolarHBondContact O-CG 3.25Å; M310-F347 HydrophobicContact CB-CD1 4.41Å; M310-F347 HydrophobicContact CB-CD2 4.48Å; M310-F347 HydrophobicContact CB-CE1 4.42Å; M310-F347 HydrophobicContact CB-CE2 4.49Å; M310-F347 HydrophobicContact CB-CG 4.41Å; M310-F347 HydrophobicContact CB-CZ 4.44Å; M310-F347 HydrophobicContact CE-CE1 4.34Å; M310-F347 HydrophobicContact CE-CZ 4.21Å; M310-F347 HydrophobicContact CG-CD2 4.29Å; M310-F347 HydrophobicContact CG-CE1 4.33Å; M310-F347 HydrophobicContact CG-CE2 3.89Å; M310-F347 HydrophobicContact CG-CZ 3.89Å; D311-F347 HydrophobicContact CB-CB 4.15Å; D311-F347 PolarHBondContact OD2-N 3.32Å; Y313-F347 HydrophobicContact CD1-CD1 4.27Å; Y313-F347 HydrophobicContact CD1-CE1 4.3Å; Y313-F347 AromaticContact CD2-CD1 3.6Å; Y313-F347 HydrophobicContact CD2-CD1 3.6Å; Y313-F347 HydrophobicContact CD2-CE1 4.38Å; Y313-F347 HydrophobicContact CE2-CD1 4.29Å; Y313-F347 AromaticContact CG-CD1 3.58Å; Y313-F347 HydrophobicContact CG-CD1 3.58Å; Y313-F347 AromaticContact CG-CE1 3.92Å; Y313-F347 HydrophobicContact CG-CE1 3.92Å; F347-W349 VanDerWaalsContact C-N 3.29Å; F347-W349 PolarHBondContact O-N 3.27Å; F347-F350 HydrophobicContact CD2-CD1 4.18Å; F347-F350 AromaticContact CE2-CD1 3.81Å; F347-F350 HydrophobicContact CE2-CD1 3.81Å; F347-F350 HydrophobicContact CE2-CE1 4.23Å; F347-F350 HydrophobicContact CZ-CD1 4.13Å; F347-F350 HydrophobicContact CZ-CE1 4.39Å; F347-F350 WeakPolarHBondContact O-CB 3.47Å; F347-F350 PolarHBondContact O-N 2.9Å; F347-F350 VanDerWaalsContact O-N 3.09Å; F347-M351 HydrophobicContact CD1-CG 3.74Å; F347-M351 HydrophobicContact CD1-SD 4.4Å; F347-M351 HydrophobicContact CE1-CG 3.61Å; F347-M351 HydrophobicContact CE1-SD 3.69Å; F347-M351 HydrophobicContact CZ-CG 4.38Å; F347-M351 HydrophobicContact CZ-SD 4Å; F347-M351 WeakPolarHBondContact O-CG 3.4Å; F347-M351 PolarHBondContact O-N 3.4Å
348K98.6Very high98Very high116 Ų11662.4 Ų62.450%0.50429%0.293SS..Hα-helixtrans-55.4-45171.1-175.8176.2179.8177.40111.6Y313 S346 F350 M351 T352Y313-K348 HydrophobicContact CE2-CB 4.04Å; S346-K348 PolarHBondContact O-N 2.88Å; K348-F350 PolarHBondContact O-N 2.7Å; K348-M351 PolarHBondContact O-N 3.02Å; K348-T352 WeakPolarHBondContact O-CB 3.43Å; K348-T352 PolarHBondContact O-N 2.66Å; K348-T352 PolarHBondContact O-OG1 3.33Å; K348-T352 VanDerWaalsContact O-OG1 3.05Å
349W98.7Very high97.9Very high66 Ų6663.6 Ų63.625%0.2530%0.301CS..Hα-helixtrans-60.2-44.5174.1171.688.7000111.8W264 K345 S346 F347 M351 T352 E353 I354W264-W349 HydrophobicContact CB-CZ3 4.42Å; W264-W349 WeakPolarHBondContact O-CH2 3.33Å; W264-W349 WeakPolarHBondContact O-CZ3 3.32Å; K345-W349 HydrophobicContact CB-CB 4.12Å; K345-W349 HydrophobicContact CB-CD2 3.76Å; K345-W349 HydrophobicContact CB-CE3 3.66Å; K345-W349 HydrophobicContact CB-CG 3.93Å; K345-W349 HydrophobicContact CB-CZ3 4.4Å; K345-W349 HydrophobicContact CD-CD2 3.19Å; K345-W349 HydrophobicContact CD-CE3 3.54Å; K345-W349 HydrophobicContact CD-CG 3.72Å; K345-W349 HydrophobicContact CD-CH2 3.82Å; K345-W349 HydrophobicContact CD-CZ2 3.49Å; K345-W349 VanDerWaalsContact CD-CZ2 3.49Å; K345-W349 HydrophobicContact CD-CZ3 3.84Å; K345-W349 HydrophobicContact CG-CD2 4.11Å; K345-W349 HydrophobicContact CG-CE3 4.24Å; K345-W349 HydrophobicContact CG-CG 4.41Å; S346-W349 WeakPolarHBondContact O-CB 3.48Å; S346-W349 PolarHBondContact O-N 3.16Å; S346-W349 PolarHBondContact OG-N 3.37Å; S346-W349 VanDerWaalsContact OG-N 3.1Å; F347-W349 VanDerWaalsContact C-N 3.29Å; F347-W349 PolarHBondContact O-N 3.27Å; W349-M351 VanDerWaalsContact C-N 3.32Å; W349-M351 PolarHBondContact O-N 3.34Å; W349-T352 PolarHBondContact O-N 3.24Å; W349-E353 HydrophobicContact CD2-CG 4.32Å; W349-E353 HydrophobicContact CG-CG 4.22Å; W349-E353 HydrophobicContact CZ2-CB 4.21Å; W349-E353 HydrophobicContact CZ2-CG 4.37Å; W349-E353 VanDerWaalsContact NE1-CG 3.29Å; W349-E353 WeakPolarHBondContact O-CB 3.29Å; W349-E353 PolarHBondContact O-N 3.35Å; W349-I354 HydrophobicContact CH2-CD1 3.96Å; W349-I354 HydrophobicContact CH2-CG1 3.89Å; W349-I354 HydrophobicContact CZ2-CD1 4.41Å; W349-I354 HydrophobicContact CZ3-CG1 3.99Å
350F98.8Very high97.5Very high0 Ų069.3 Ų69.30%033%0.327CS..Iπ-helixtrans-58.8-44.9176.4170.1-96.4000111.4F199 P225 V226 F261 W264 M265 S346 F347 K348 T352 I354 A355F199-F350 HydrophobicContact CE1-CE1 4.07Å; F199-F350 HydrophobicContact CZ-CE1 4.33Å; P225-F350 HydrophobicContact CB-CZ 4.02Å; V226-F350 HydrophobicContact CG1-CZ 4.36Å; F261-F350 HydrophobicContact CD1-CD1 4.5Å; F261-F350 HydrophobicContact CD1-CE1 4.1Å; F261-F350 HydrophobicContact CD1-CE2 4.38Å; F261-F350 HydrophobicContact CD1-CZ 4.03Å; F261-F350 HydrophobicContact CE1-CD1 4.44Å; F261-F350 AromaticContact CE1-CE1 3.77Å; F261-F350 HydrophobicContact CE1-CE1 3.77Å; F261-F350 AromaticContact CE1-CZ 3.91Å; F261-F350 HydrophobicContact CE1-CZ 3.91Å; W264-F350 HydrophobicContact CB-CD2 3.78Å; W264-F350 HydrophobicContact CB-CE2 4.05Å; W264-F350 AromaticContact CD1-CE2 3.67Å; W264-F350 HydrophobicContact CG-CD2 4.15Å; W264-F350 AromaticContact CG-CE2 3.99Å; W264-F350 HydrophobicContact CG-CE2 3.99Å; M265-F350 HydrophobicContact CG-CB 4.09Å; S346-F350 PolarHBondContact O-N 3.47Å; F347-F350 HydrophobicContact CD2-CD1 4.18Å; F347-F350 AromaticContact CE2-CD1 3.81Å; F347-F350 HydrophobicContact CE2-CD1 3.81Å; F347-F350 HydrophobicContact CE2-CE1 4.23Å; F347-F350 HydrophobicContact CZ-CD1 4.13Å; F347-F350 HydrophobicContact CZ-CE1 4.39Å; F347-F350 WeakPolarHBondContact O-CB 3.47Å; F347-F350 PolarHBondContact O-N 2.9Å; F347-F350 VanDerWaalsContact O-N 3.09Å; K348-F350 PolarHBondContact O-N 2.7Å; F350-T352 VanDerWaalsContact C-N 3.33Å; F350-T352 PolarHBondContact O-N 3.11Å; F350-I354 HydrophobicContact CD2-CB 3.78Å; F350-I354 HydrophobicContact CD2-CG1 4.03Å; F350-I354 HydrophobicContact CD2-CG2 4.04Å; F350-I354 HydrophobicContact CE2-CB 3.92Å; F350-I354 HydrophobicContact CE2-CG2 3.68Å; F350-I354 HydrophobicContact CG-CB 4.49Å; F350-I354 HydrophobicContact CZ-CG2 4.46Å; F350-I354 WeakPolarHBondContact O-CA 3.41Å; F350-I354 WeakPolarHBondContact O-CB 3.18Å; F350-I354 PolarHBondContact O-N 3.34Å; F350-A355 HydrophobicContact CD1-CB 4.31Å; F350-A355 HydrophobicContact CE1-CB 3.77Å; F350-A355 HydrophobicContact CZ-CB 4.07Å; F350-A355 PolarHBondContact O-N 3.48Å
351M98.4Very high97.1Very high10 Ų1064.3 Ų64.35%0.04930%0.303CS..Iπ-helixtrans-67.2-30.6177.9-67.5-53.9-53.300113.4F199 W201 Y313 F347 K348 W349 A355 F356 L358 V359F199-M351 HydrophobicContact CZ-SD 4.16Å; W201-M351 HydrophobicContact CH2-CE 3.82Å; W201-M351 HydrophobicContact CH2-SD 4.05Å; W201-M351 HydrophobicContact CZ2-CE 3.9Å; Y313-M351 HydrophobicContact CD1-CG 4.31Å; Y313-M351 HydrophobicContact CE1-CB 4.4Å; Y313-M351 HydrophobicContact CE1-CG 3.94Å; F347-M351 HydrophobicContact CD1-CG 3.74Å; F347-M351 HydrophobicContact CD1-SD 4.4Å; F347-M351 HydrophobicContact CE1-CG 3.61Å; F347-M351 HydrophobicContact CE1-SD 3.69Å; F347-M351 HydrophobicContact CZ-CG 4.38Å; F347-M351 HydrophobicContact CZ-SD 4Å; F347-M351 WeakPolarHBondContact O-CG 3.4Å; F347-M351 PolarHBondContact O-N 3.4Å; K348-M351 PolarHBondContact O-N 3.02Å; W349-M351 VanDerWaalsContact C-N 3.32Å; W349-M351 PolarHBondContact O-N 3.34Å; M351-A355 HydrophobicContact CE-CB 4.14Å; M351-A355 CarbonylContact O-C 3.53Å; M351-A355 VanDerWaalsContact O-C 3.29Å; M351-A355 HydrophobicContact SD-CB 4.06Å; M351-F356 WeakPolarHBondContact O-CA 3.21Å; M351-F356 PolarHBondContact O-N 3.07Å; M351-L358 HydrophobicContact CE-CB 4.03Å; M351-L358 HydrophobicContact CE-CD1 4.3Å; M351-L358 HydrophobicContact CE-CD2 4Å; M351-L358 HydrophobicContact CE-CG 4.32Å; M351-V359 HydrophobicContact CE-CG1 4.01Å
352T98.1Very high96.9Very high78 Ų7856.7 Ų56.748%0.47927%0.27SS..Iπ-helixtrans-84.3-39.9-179.9-60.40000113.1K348 W349 F350 F356K348-T352 WeakPolarHBondContact O-CB 3.43Å; K348-T352 PolarHBondContact O-N 2.66Å; K348-T352 PolarHBondContact O-OG1 3.33Å; K348-T352 VanDerWaalsContact O-OG1 3.05Å; W349-T352 PolarHBondContact O-N 3.24Å; F350-T352 VanDerWaalsContact C-N 3.33Å; F350-T352 PolarHBondContact O-N 3.11Å; T352-F356 WeakPolarHBondContact O-CB 3.44Å
353E98Very high96.6Very high111 Ų11155.5 Ų55.552%0.51927%0.265SS..Iπ-helixtrans-98.1-36.1-173.2-58.9-56.9141.200113.1W349W349-E353 HydrophobicContact CD2-CG 4.32Å; W349-E353 HydrophobicContact CG-CG 4.22Å; W349-E353 HydrophobicContact CZ2-CB 4.21Å; W349-E353 HydrophobicContact CZ2-CG 4.37Å; W349-E353 VanDerWaalsContact NE1-CG 3.29Å; W349-E353 WeakPolarHBondContact O-CB 3.29Å; W349-E353 PolarHBondContact O-N 3.35Å
354I98.1Very high96.4Very high21 Ų2148.7 Ų48.711%0.10824%0.237CC..Iπ-helixtrans-104-50.5-170.8-51.7-52.8000111.3P225 W264 W349 F350P225-I354 HydrophobicContact CB-CG2 4.25Å; P225-I354 HydrophobicContact CG-CG2 4.47Å; W264-I354 HydrophobicContact CB-CG1 4.42Å; W264-I354 HydrophobicContact CD2-CB 4.47Å; W264-I354 HydrophobicContact CD2-CD1 3.98Å; W264-I354 HydrophobicContact CD2-CG1 3.94Å; W264-I354 HydrophobicContact CD2-CG2 3.72Å; W264-I354 HydrophobicContact CE3-CD1 3.41Å; W264-I354 VanDerWaalsContact CE3-CD1 3.41Å; W264-I354 HydrophobicContact CE3-CG1 3.83Å; W264-I354 HydrophobicContact CE3-CG2 4.29Å; W264-I354 HydrophobicContact CG-CG1 4.24Å; W264-I354 HydrophobicContact CG-CG2 3.98Å; W264-I354 HydrophobicContact CH2-CD1 4.08Å; W264-I354 HydrophobicContact CH2-CG2 4.45Å; W264-I354 HydrophobicContact CZ2-CG2 3.93Å; W264-I354 HydrophobicContact CZ3-CD1 3.48Å; W264-I354 VanDerWaalsContact CZ3-CD1 3.48Å; W264-I354 HydrophobicContact CZ3-CG1 4.35Å; W349-I354 HydrophobicContact CH2-CD1 3.96Å; W349-I354 HydrophobicContact CH2-CG1 3.89Å; W349-I354 HydrophobicContact CZ2-CD1 4.41Å; W349-I354 HydrophobicContact CZ3-CG1 3.99Å; F350-I354 HydrophobicContact CD2-CB 3.78Å; F350-I354 HydrophobicContact CD2-CG1 4.03Å; F350-I354 HydrophobicContact CD2-CG2 4.04Å; F350-I354 HydrophobicContact CE2-CB 3.92Å; F350-I354 HydrophobicContact CE2-CG2 3.68Å; F350-I354 HydrophobicContact CG-CB 4.49Å; F350-I354 HydrophobicContact CZ-CG2 4.46Å; F350-I354 WeakPolarHBondContact O-CA 3.41Å; F350-I354 WeakPolarHBondContact O-CB 3.18Å; F350-I354 PolarHBondContact O-N 3.34Å
355A97.8Very high96Very high0 Ų053.7 Ų53.70%026%0.262CS..SBendtrans-104.734.7-176.700000112.6P225 F350 M351 D357 L358P225-A355 HydrophobicContact CB-CB 4.15Å; P225-A355 HydrophobicContact CG-CB 4.44Å; F350-A355 HydrophobicContact CD1-CB 4.31Å; F350-A355 HydrophobicContact CE1-CB 3.77Å; F350-A355 HydrophobicContact CZ-CB 4.07Å; F350-A355 PolarHBondContact O-N 3.48Å; M351-A355 HydrophobicContact CE-CB 4.14Å; M351-A355 CarbonylContact O-C 3.53Å; M351-A355 VanDerWaalsContact O-C 3.29Å; M351-A355 HydrophobicContact SD-CB 4.06Å; A355-D357 PolarHBondContact O-N 2.91Å; A355-D357 VanDerWaalsContact O-N 3.13Å; A355-L358 HydrophobicContact CB-CB 4.09Å; A355-L358 HydrophobicContact CB-CD1 4.23Å; A355-L358 WeakPolarHBondContact O-CB 3.28Å; A355-L358 PolarHBondContact O-N 2.82Å
356F97Very high95.4Very high85 Ų8552.7 Ų52.737%0.37326%0.258SS..THydrogen-bonded Turntrans-58-28.2-171.962-97.5000115L211 M351 T352L211-F356 HydrophobicContact CD1-CE1 4.36Å; L211-F356 HydrophobicContact CD1-CZ 4.01Å; L211-F356 HydrophobicContact CD2-CE2 4.22Å; L211-F356 HydrophobicContact CD2-CZ 3.59Å; L211-F356 HydrophobicContact CG-CZ 4.47Å; M351-F356 WeakPolarHBondContact O-CA 3.21Å; M351-F356 PolarHBondContact O-N 3.07Å; T352-F356 WeakPolarHBondContact O-CB 3.44Å
357D95.8Very high94.8Very high20 Ų2053.5 Ų53.511%0.10726%0.262CS..THydrogen-bonded Turntrans-99.2-3.3179.668.1-46.6000113.5R196 A355 V359 K360R196-D357 IonicContact CZ-OD1 2.81Å; R196-D357 IonicContact CZ-OD2 3.09Å; R196-D357 IonicContact NH1-OD1 2.6Å; R196-D357 IonicContact NH2-OD1 2.85Å; R196-D357 PolarHBondContact NH2-OD1 3.32Å; R196-D357 IonicContact NH2-OD2 3.85Å; R196-D357 PolarHBondContact NH2-OD2 2.82Å; A355-D357 PolarHBondContact O-N 2.91Å; A355-D357 VanDerWaalsContact O-N 3.13Å; D357-V359 VanDerWaalsContact C-N 3.33Å; D357-V359 PolarHBondContact O-N 3.16Å; D357-K360 HydrophobicContact CB-CD 4.23Å; D357-K360 WeakPolarHBondContact O-CB 3.48Å; D357-K360 PolarHBondContact O-N 3.41Å; D357-K360 VanDerWaalsContact O-N 3.13Å
358L96.2Very high94.1Very high0 Ų060.4 Ų60.40%030%0.298CS..Hα-helixtrans-57.4-48.2177.2-173.8154.6000110.7A198 F199 W201 L208 M351 A355 K360 K361 Y362A198-L358 HydrophobicContact CB-CD1 4.49Å; F199-L358 HydrophobicContact CD1-CD1 3.91Å; F199-L358 HydrophobicContact CD2-CD1 4.33Å; F199-L358 HydrophobicContact CE1-CD1 3.63Å; F199-L358 HydrophobicContact CE2-CD1 4.08Å; F199-L358 HydrophobicContact CG-CD1 4.23Å; F199-L358 HydrophobicContact CZ-CD1 3.7Å; W201-L358 HydrophobicContact CZ2-CD2 3.71Å; L208-L358 HydrophobicContact CD1-CB 4.34Å; M351-L358 HydrophobicContact CE-CB 4.03Å; M351-L358 HydrophobicContact CE-CD1 4.3Å; M351-L358 HydrophobicContact CE-CD2 4Å; M351-L358 HydrophobicContact CE-CG 4.32Å; A355-L358 HydrophobicContact CB-CB 4.09Å; A355-L358 HydrophobicContact CB-CD1 4.23Å; A355-L358 WeakPolarHBondContact O-CB 3.28Å; A355-L358 PolarHBondContact O-N 2.82Å; L358-K360 PolarHBondContact O-N 2.84Å; L358-K361 PolarHBondContact O-N 2.94Å; L358-Y362 HydrophobicContact CG-CD2 4.47Å; L358-Y362 PolarHBondContact O-N 2.95Å
359V94.8Very high93.5Very high57 Ų5755.4 Ų55.435%0.34528%0.278SS..Hα-helixtrans-67.1-17.2-178.3-64.20000113.9W201 M351 D357 Y362 P363 L364W201-V359 HydrophobicContact CZ2-CG1 3.98Å; M351-V359 HydrophobicContact CE-CG1 4.01Å; D357-V359 VanDerWaalsContact C-N 3.33Å; D357-V359 PolarHBondContact O-N 3.16Å; V359-Y362 WeakPolarHBondContact CA-O 3Å; V359-P363 WeakPolarHBondContact O-CA 3.36Å; V359-L364 HydrophobicContact CG1-CD1 4.49Å; V359-L364 HydrophobicContact CG1-CD2 4.33Å; V359-L364 HydrophobicContact CG1-CG 4.02Å
360K91.1Very high93Very high165 Ų16553.8 Ų53.872%0.71727%0.274SS*.Hα-helixtrans-72.5-32.4173.5-59.4-179.4-178175.60111.3D357 L358D357-K360 HydrophobicContact CB-CD 4.23Å; D357-K360 WeakPolarHBondContact O-CB 3.48Å; D357-K360 PolarHBondContact O-N 3.41Å; D357-K360 VanDerWaalsContact O-N 3.13Å; L358-K360 PolarHBondContact O-N 2.84Å
361K89Confident92.8Very high42 Ų4253.8 Ų53.818%0.18327%0.274CS..Hα-helixtrans-97.3-37.7179.6-164.7171.7-177.71760112.5R207 L208 L358 Y418 H419 G449R207-K361 PolarHBondContact O-NZ 3.35Å; L208-K361 HydrophobicContact CD2-CB 3.98Å; L208-K361 HydrophobicContact CD2-CD 3.85Å; L358-K361 PolarHBondContact O-N 2.94Å; K361-Y418 WeakPolarHBondContact O-CE2 3.39Å; K361-Y418 PolarHBondContact O-OH 2.92Å; K361-Y418 VanDerWaalsContact O-OH 3.07Å; K361-H419 PolarHBondContact O-CE1 2.86Å; K361-H419 PolarHBondContact O-NE2 3.33Å; K361-G449 WeakPolarHBondContact CE-O 3.12Å
362Y92.5Very high92.5Very high17 Ų1755.1 Ų55.17%0.06728%0.281CS..SBendtrans-126.285.9-179.8-51.5-67.8000108.4D200 W201 K206 L208 L358 V359D200-Y362 HydrophobicContact CB-CD1 4.12Å; D200-Y362 HydrophobicContact CB-CG 4.26Å; W201-Y362 PolarHBondContact NE1-O 3.47Å; K206-Y362 HydrophobicContact CB-CD2 4.49Å; K206-Y362 HydrophobicContact CB-CE2 3.59Å; K206-Y362 WeakPolarHBondContact CB-OH 3.36Å; K206-Y362 HydrophobicContact CD-CE1 4.07Å; K206-Y362 HydrophobicContact CG-CD2 4.47Å; K206-Y362 HydrophobicContact CG-CE1 3.99Å; K206-Y362 HydrophobicContact CG-CE2 3.83Å; L208-Y362 HydrophobicContact CD2-CE2 4.42Å; L358-Y362 HydrophobicContact CG-CD2 4.47Å; L358-Y362 PolarHBondContact O-N 2.95Å; V359-Y362 WeakPolarHBondContact CA-O 3Å
363P93.1Very high92.4Very high22 Ų2251.5 Ų51.514%0.14326%0.259CS..  trans-69.4146.6-174.229.6-33.3000111.4W201 R320 V359 I365 Y418W201-P363 PolarHBondContact NE1-O 3.11Å; R320-P363 PolarHBondContact NH2-O 2.9Å; R320-P363 VanDerWaalsContact NH2-O 3.15Å; V359-P363 WeakPolarHBondContact O-CA 3.36Å; P363-I365 WeakPolarHBondContact CB-O 3.34Å; P363-I365 PolarHBondContact O-N 2.9Å; P363-Y418 VanDerWaalsContact CD-CZ 3.44Å; P363-Y418 WeakPolarHBondContact CD-OH 3.43Å; P363-Y418 HydrophobicContact CG-CE1 4.25Å; P363-Y418 HydrophobicContact CG-CE2 4.08Å
364L93.9Very high92.3Very high43 Ų4346.3 Ų46.323%0.22524%0.235CC..SBendtrans-53.3-42.6179.5-66.3168.1000111.6W201 Y313 Y316 R320 V359W201-L364 HydrophobicContact CD2-CD2 4.01Å; W201-L364 VanDerWaalsContact CE2-CD2 3.41Å; W201-L364 HydrophobicContact CE3-CD2 4.23Å; W201-L364 HydrophobicContact CH2-CD2 3.38Å; W201-L364 HydrophobicContact CZ2-CD2 3.09Å; W201-L364 HydrophobicContact CZ2-CG 4.07Å; W201-L364 HydrophobicContact CZ3-CD2 3.94Å; Y313-L364 HydrophobicContact CD1-CD2 3.62Å; Y313-L364 HydrophobicContact CE1-CD1 4.3Å; Y313-L364 HydrophobicContact CE1-CD2 3.74Å; Y316-L364 HydrophobicContact CD1-CB 3.91Å; Y316-L364 HydrophobicContact CD1-CD2 4.4Å; Y316-L364 VanDerWaalsContact CD1-O 3.32Å; Y316-L364 WeakPolarHBondContact CD1-O 3.33Å; Y316-L364 HydrophobicContact CD2-CD2 3.56Å; Y316-L364 HydrophobicContact CE1-CB 3.66Å; Y316-L364 HydrophobicContact CE1-CD2 4.36Å; Y316-L364 HydrophobicContact CE1-CG 4.44Å; Y316-L364 HydrophobicContact CE2-CB 4.35Å; Y316-L364 HydrophobicContact CE2-CD1 4.28Å; Y316-L364 HydrophobicContact CE2-CD2 3.54Å; Y316-L364 HydrophobicContact CE2-CG 4.28Å; Y316-L364 HydrophobicContact CG-CB 4.35Å; Y316-L364 HydrophobicContact CG-CD2 4.02Å; R320-L364 PolarHBondContact NH1-O 3.4Å; R320-L364 PolarHBondContact NH2-O 3.03Å; V359-L364 HydrophobicContact CG1-CD1 4.49Å; V359-L364 HydrophobicContact CG1-CD2 4.33Å; V359-L364 HydrophobicContact CG1-CG 4.02Å
365I90.4Very high92.3Very high125 Ų12545.3 Ų45.364%0.64123%0.23SC*.SBendtrans-117.9121172.6-60.1171000106.4Y316 P363Y316-I365 HydrophobicContact CE1-CG1 4.31Å; P363-I365 WeakPolarHBondContact CB-O 3.34Å; P363-I365 PolarHBondContact O-N 2.9Å
366E85.3Confident92.3Very high78 Ų7847.6 Ų47.636%0.36424%0.239SC..PPolyproline II helixtrans-64.4130.5176-80.6166-126.300110.3R320 Y418 R423R320-E366 IonicContact CZ-OE1 2.66Å; R320-E366 IonicContact NE-OE1 3.93Å; R320-E366 PolarHBondContact NE-OE1 3.5Å; R320-E366 IonicContact NH2-OE1 3.21Å; R320-E366 PolarHBondContact NH2-OE1 2.86Å; R320-E366 VanDerWaalsContact NH2-OE1 3.13Å; E366-Y418 HydrophobicContact CG-CE1 3.92Å; E366-R423 IonicContact OE2-NH2 2.96Å; E366-R423 PolarHBondContact OE2-NH2 2.04Å
367P85.7Confident92.3Very high67 Ų6743.6 Ų43.644%0.43522%0.221SC..PPolyproline II helixtrans-54.9146.9169.9-23.832.5000110.6S369 Y418P367-S369 PolarHBondContact O-N 3.25Å; P367-Y418 HydrophobicContact CG-CD1 4.27Å; P367-Y418 HydrophobicContact CG-CG 3.97Å
368I84.8Confident92.4Very high145 Ų14545.5 Ų45.574%0.74423%0.233SC*.PPolyproline II helixtrans-60.8128.7173.3-59.5170.2000108
369S86.8Confident92.4Very high12 Ų1247.4 Ų47.48%0.08425%0.249CC..PPolyproline II helixtrans-51.7136.6176.2-58.90000110.7P367 A371 E415 Y416 T509P367-S369 PolarHBondContact O-N 3.25Å; S369-A371 PolarHBondContact O-N 2.81Å; S369-E415 PolarHBondContact OG-OE2 2.81Å; S369-Y416 CarbonylContact C-O 3.57Å; S369-Y416 VanDerWaalsContact CA-O 3.25Å; S369-Y416 WeakPolarHBondContact CA-O 3.17Å; S369-Y416 VanDerWaalsContact CB-O 3.25Å; S369-Y416 WeakPolarHBondContact CB-O 3.47Å; S369-T509 PolarHBondContact O-OG1 2.97Å
370N88.5Confident92.5Very high32 Ų3247.3 Ų47.317%0.17125%0.247CC..SBendtrans-73.3-16.2-179.5-59.8100.9000112.8Y416 T509 P511N370-Y416 HydrophobicContact CB-CD1 3.79Å; N370-Y416 HydrophobicContact CB-CE1 4.36Å; N370-Y416 PolarHBondContact N-O 2.96Å; N370-T509 VanDerWaalsContact CA-O 3.24Å; N370-T509 WeakPolarHBondContact CA-O 3.35Å; N370-T509 WeakPolarHBondContact CB-O 3.48Å; N370-T509 PolarHBondContact ND2-O 2.91Å; N370-T509 CarbonylContact O-C 3.44Å; N370-T509 PolarHBondContact O-N 3.25Å; N370-T509 PolarHBondContact O-OG1 3.35Å; N370-P511 WeakPolarHBondContact ND2-CD 3.41Å
371A92.7Very high92.7Very high0 Ų042.8 Ų42.80%024%0.236CC..EExtended strand (participates in β ladder)trans-149145.2173.400000109.8S369 E415 Y416 I458 W505 K507 L508S369-A371 PolarHBondContact O-N 2.81Å; A371-E415 CarbonylContact O-C 3.58Å; A371-E415 VanDerWaalsContact O-CA 3.29Å; A371-E415 WeakPolarHBondContact O-CA 3.29Å; A371-Y416 PolarHBondContact O-N 3.3Å; A371-I458 HydrophobicContact CB-CD1 4.44Å; A371-W505 HydrophobicContact CB-CB 4.44Å; A371-W505 HydrophobicContact CB-CD2 3.43Å; A371-W505 VanDerWaalsContact CB-CD2 3.43Å; A371-W505 HydrophobicContact CB-CE3 3.78Å; A371-W505 HydrophobicContact CB-CG 3.74Å; A371-W505 HydrophobicContact CB-CH2 4.31Å; A371-W505 HydrophobicContact CB-CZ2 4.03Å; A371-W505 HydrophobicContact CB-CZ3 4.21Å; A371-K507 WeakPolarHBondContact CA-O 3.39Å; A371-K507 WeakPolarHBondContact CB-O 3.39Å; A371-L508 HydrophobicContact CB-CD2 3.73Å
372D93.9Very high93Very high38 Ų3846.6 Ų46.620%0.20325%0.254CS..EExtended strand (participates in β ladder)trans-149152.7175.569.697.8000112.4F414 E415 M425 W505 K507D372-F414 CarbonylContact C-O 3Å; D372-F414 WeakPolarHBondContact CA-O 3.44Å; D372-E415 HydrophobicContact CB-CB 4.43Å; D372-M425 HydrophobicContact CB-CE 4.34Å; D372-M425 HydrophobicContact CB-SD 4.39Å; D372-W505 VanDerWaalsContact O-CD1 3.25Å; D372-W505 PolarHBondContact O-NE1 3.18Å; D372-K507 PolarHBondContact N-O 3.04Å; D372-K507 WeakPolarHBondContact O-CB 3.32Å; D372-K507 PolarHBondContact O-N 3.19Å; D372-K507 IonicContact OD1-NZ 2.81Å; D372-K507 WeakPolarHBondContact OD2-CD 3.46Å; D372-K507 WeakPolarHBondContact OD2-CE 3.31Å; D372-K507 IonicContact OD2-NZ 3.65Å; D372-K507 PolarHBondContact OD2-NZ 3.22Å
373G95.4Very high93.3Very high2 Ų246.2 Ų46.22%0.02125%0.253CS..EExtended strand (participates in β ladder)trans105.6-155.5177.900000114.3F414 W505 E506G373-F414 PolarHBondContact N-O 2.67Å; G373-F414 PolarHBondContact O-N 2.96Å; G373-W505 PolarHBondContact O-NE1 2.93Å; G373-E506 WeakPolarHBondContact CA-OE2 3.24Å
374E96.4Very high93.5Very high2 Ų245.1 Ų45.11%0.00925%0.246CC..EExtended strand (participates in β ladder)trans-70.2141.9179.9-68.2-179.8161.100112.4R376 T402 K403 Q412 E506E374-R376 IonicContact OE2-CZ 3.7Å; E374-R376 IonicContact OE2-NE 2.85Å; E374-R376 PolarHBondContact OE2-NE 3.07Å; E374-R376 IonicContact OE2-NH2 3.62Å; E374-R376 PolarHBondContact OE2-NH2 2.86Å; E374-T402 PolarHBondContact OE1-N 2.96Å; E374-T402 PolarHBondContact OE1-OG1 2.84Å; E374-K403 WeakPolarHBondContact OE1-CB 3.32Å; E374-K403 PolarHBondContact OE1-N 3.37Å; E374-K403 WeakPolarHBondContact OE2-CB 3.44Å; E374-Q412 WeakPolarHBondContact CA-O 3.29Å; E374-Q412 HydrophobicContact CG-CB 4.4Å; E374-E506 PolarHBondContact N-OE2 3.29Å; E374-E506 PolarHBondContact O-N 2.73Å
375I97.6Very high93.7Very high0 Ų043.1 Ų43.10%024%0.236CC..EExtended strand (participates in β ladder)trans-107.7107.7170.5-56.9170000108C384 L385 F414 I422 L471 W503 T504 W505I375-C384 WeakPolarHBondContact O-CA 3.25Å; I375-L385 HydrophobicContact CB-CB 4.31Å; I375-L385 HydrophobicContact CB-CD1 3.86Å; I375-L385 HydrophobicContact CB-CG 4.1Å; I375-L385 HydrophobicContact CD1-CD1 3.85Å; I375-L385 HydrophobicContact CG1-CD1 4.46Å; I375-L385 HydrophobicContact CG2-CD1 3.7Å; I375-L385 HydrophobicContact CG2-CG 4.08Å; I375-L385 PolarHBondContact O-N 3.12Å; I375-F414 HydrophobicContact CD1-CB 3.71Å; I375-F414 HydrophobicContact CD1-CD2 3.98Å; I375-F414 HydrophobicContact CD1-CG 3.89Å; I375-F414 HydrophobicContact CG1-CB 4.29Å; I375-F414 HydrophobicContact CG1-CD2 4.28Å; I375-I422 HydrophobicContact CD1-CG2 4.05Å; I375-L471 HydrophobicContact CG2-CD1 4.32Å; I375-W503 HydrophobicContact CG2-CB 4.03Å; I375-W503 HydrophobicContact CG2-CD2 4.29Å; I375-W503 HydrophobicContact CG2-CE3 3.85Å; I375-W503 HydrophobicContact CG2-CG 4.39Å; I375-T504 CarbonylContact C-O 3.46Å; I375-T504 WeakPolarHBondContact CA-O 3.26Å; I375-W505 HydrophobicContact CD1-CD2 4.1Å; I375-W505 HydrophobicContact CD1-CE3 4.04Å; I375-W505 HydrophobicContact CD1-CH2 3.64Å; I375-W505 HydrophobicContact CD1-CZ2 3.68Å; I375-W505 HydrophobicContact CD1-CZ3 3.81Å; I375-W505 HydrophobicContact CG1-CD2 3.67Å; I375-W505 HydrophobicContact CG1-CE3 3.99Å; I375-W505 HydrophobicContact CG1-CG 4.13Å; I375-W505 HydrophobicContact CG1-CH2 4.29Å; I375-W505 HydrophobicContact CG1-CZ2 3.97Å; I375-W505 HydrophobicContact CG1-CZ3 4.29Å
376R97.4Very high94Very high47 Ų4737.4 Ų37.418%0.17721%0.206CC..EExtended strand (participates in β ladder)trans-98.8142.8-176.7-47.9-172.2163.4-144.6-0.4112E374 S381 L383 D404 W503 T504E374-R376 IonicContact OE2-CZ 3.7Å; E374-R376 IonicContact OE2-NE 2.85Å; E374-R376 PolarHBondContact OE2-NE 3.07Å; E374-R376 IonicContact OE2-NH2 3.62Å; E374-R376 PolarHBondContact OE2-NH2 2.86Å; R376-S381 PolarHBondContact NH1-O 3.37Å; R376-L383 WeakPolarHBondContact CA-O 3.25Å; R376-D404 IonicContact CZ-OD1 3.55Å; R376-D404 VanDerWaalsContact CZ-OD1 3.3Å; R376-D404 IonicContact CZ-OD2 3.3Å; R376-D404 VanDerWaalsContact NH1-CG 3.3Å; R376-D404 IonicContact NH1-OD1 2.73Å; R376-D404 PolarHBondContact NH1-OD1 3.07Å; R376-D404 IonicContact NH1-OD2 2.97Å; R376-D404 PolarHBondContact NH1-OD2 3.09Å; R376-D404 IonicContact NH2-OD1 3.84Å; R376-D404 PolarHBondContact NH2-OD1 2.88Å; R376-D404 IonicContact NH2-OD2 2.74Å; R376-W503 CarbonylContact O-C 3.58Å; R376-W503 WeakPolarHBondContact O-CA 3.35Å; R376-T504 WeakPolarHBondContact CB-OG1 3.39Å; R376-T504 PolarHBondContact N-O 2.97Å; R376-T504 PolarHBondContact O-N 2.55Å
377S97.3Very high94.6Very high1 Ų133.9 Ų33.91%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-71.9134.6171.9-173.10000110.4A379 D380 S381 L383S377-A379 VanDerWaalsContact C-N 3.3Å; S377-A379 PolarHBondContact OG-N 3.16Å; S377-D380 CarbonylContact O-C 3.23Å; S377-D380 VanDerWaalsContact O-C 3.23Å; S377-D380 VanDerWaalsContact O-O 3.08Å; S377-S381 WeakPolarHBondContact O-CA 3.35Å; S377-S381 PolarHBondContact O-N 3.07Å; S377-L383 PolarHBondContact N-O 3.46Å
378V96.9Very high95Very high60 Ų6033.2 Ų33.236%0.36419%0.186SC..SBendtrans-72.9-27.3170.6172.50000111.2D380 P468 P499 S502 T504V378-D380 VanDerWaalsContact C-N 3.29Å; V378-D380 PolarHBondContact O-N 3.36Å; V378-P468 HydrophobicContact CG2-CB 3.75Å; V378-P499 HydrophobicContact CG1-CB 4.43Å; V378-S502 VanDerWaalsContact CB-O 3.28Å; V378-S502 WeakPolarHBondContact CB-O 3.44Å; V378-S502 VanDerWaalsContact CG2-O 3.26Å; V378-S502 WeakPolarHBondContact CG2-O 3.3Å; V378-S502 PolarHBondContact N-O 3.22Å; V378-T504 HydrophobicContact CG2-CG2 3.76Å
379A97.3Very high95.4Very high41 Ų4130 Ų3034%0.33917%0.17SC..SBendtrans-69.4-25.4177.600000113.5S377 P484 P499 T500S377-A379 VanDerWaalsContact C-N 3.3Å; S377-A379 PolarHBondContact OG-N 3.16Å; A379-P484 HydrophobicContact CB-CG 3.79Å; A379-P499 HydrophobicContact CB-CB 4.14Å; A379-P499 PolarHBondContact N-O 2.9Å; A379-T500 HydrophobicContact CB-CG2 3.81Å
380D97.1Very high95.8Very high55 Ų5530.1 Ų30.129%0.29417%0.172SC..  trans-153101.7172.1-173.5-18000109S377 V378 H382 L383 P484S377-D380 CarbonylContact O-C 3.23Å; S377-D380 VanDerWaalsContact O-C 3.23Å; S377-D380 VanDerWaalsContact O-O 3.08Å; V378-D380 VanDerWaalsContact C-N 3.29Å; V378-D380 PolarHBondContact O-N 3.36Å; D380-H382 PolarHBondContact O-N 3.34Å; D380-H382 VanDerWaalsContact O-N 3.13Å; D380-H382 WeakPolarHBondContact OD1-CB 3.24Å; D380-H382 IonicContact OD1-CD2 3.22Å; D380-H382 IonicContact OD1-CG 3.13Å; D380-H382 PolarHBondContact OD1-N 3.01Å; D380-H382 VanDerWaalsContact OD1-N 3.17Å; D380-L383 HydrophobicContact CB-CB 4.44Å; D380-L383 HydrophobicContact CB-CD1 4.01Å; D380-L383 HydrophobicContact CB-CG 4.18Å; D380-L383 PolarHBondContact O-N 2.98Å; D380-P484 HydrophobicContact CB-CB 4.06Å; D380-P484 HydrophobicContact CB-CG 4.43Å
381S95.4Very high96Very high70 Ų7031.8 Ų31.849%0.4918%0.181SC..THydrogen-bonded Turntrans-68.7-9.8-173.156.10000114.4R376 S377 L383R376-S381 PolarHBondContact NH1-O 3.37Å; S377-S381 WeakPolarHBondContact O-CA 3.35Å; S377-S381 PolarHBondContact O-N 3.07Å; S381-L383 VanDerWaalsContact C-N 3.32Å
382H95.5Very high95.9Very high121 Ų12136.1 Ų36.156%0.5620%0.201SC*.THydrogen-bonded Turntrans-84.4-8.4173.2-58-62.7000112.7D380 P400 C401D380-H382 PolarHBondContact O-N 3.34Å; D380-H382 VanDerWaalsContact O-N 3.13Å; D380-H382 WeakPolarHBondContact OD1-CB 3.24Å; D380-H382 IonicContact OD1-CD2 3.22Å; D380-H382 IonicContact OD1-CG 3.13Å; D380-H382 PolarHBondContact OD1-N 3.01Å; D380-H382 VanDerWaalsContact OD1-N 3.17Å; H382-P400 CarbonylContact O-C 3.55Å; H382-P400 VanDerWaalsContact O-CA 3.28Å; H382-P400 WeakPolarHBondContact O-CA 3.5Å; H382-C401 PolarHBondContact O-N 2.98Å
383L97.6Very high95.7Very high9 Ų942 Ų425%0.04722%0.221CC..EExtended strand (participates in β ladder)trans-109.2130.4-177.2-63.9-178.6000112.3R376 S377 D380 S381 L398 R399 P484R376-L383 WeakPolarHBondContact CA-O 3.25Å; S377-L383 PolarHBondContact N-O 3.46Å; D380-L383 HydrophobicContact CB-CB 4.44Å; D380-L383 HydrophobicContact CB-CD1 4.01Å; D380-L383 HydrophobicContact CB-CG 4.18Å; D380-L383 PolarHBondContact O-N 2.98Å; S381-L383 VanDerWaalsContact C-N 3.32Å; L383-L398 HydrophobicContact CB-CB 4.24Å; L383-L398 HydrophobicContact CB-CD1 4.43Å; L383-L398 HydrophobicContact CB-CD2 4.48Å; L383-L398 HydrophobicContact CD1-CB 4.29Å; L383-L398 HydrophobicContact CD1-CD1 4.19Å; L383-R399 WeakPolarHBondContact CA-O 3.43Å; L383-P484 HydrophobicContact CD1-CB 3.96Å
384C97.8Very high95.7Very high0 Ų043.9 Ų43.90%023%0.233CC..EExtended strand (participates in β ladder)trans-114.3151.1179.2-78.70000110.9I375 D386 L398 R399 C401 Q412I375-C384 WeakPolarHBondContact O-CA 3.25Å; C384-D386 PolarHBondContact O-N 3.16Å; C384-L398 VanDerWaalsContact O-CA 3.32Å; C384-L398 WeakPolarHBondContact O-CA 3.36Å; C384-R399 PolarHBondContact N-O 2.95Å; C384-R399 PolarHBondContact O-N 3.01Å; C384-C401 HydrophobicContact CB-CB 4.07Å; C384-C401 WeakPolarHBondContact CB-SG 3.39Å; C384-C401 PolarHBondContact N-SG 3.23Å; C384-C401 VanDerWaalsContact SG-CA 3.54Å; C384-C401 WeakPolarHBondContact SG-CB 3.38Å; C384-C401 CovalentContact SG-SG 2.04Å; C384-C401 PolarHBondContact SG-SG 2.74Å; C384-Q412 HydrophobicContact CB-CG 4.49Å; C384-Q412 VanDerWaalsContact CB-OE1 3.32Å
385L97.7Very high95.7Very high0 Ų045.5 Ų45.50%024%0.244CC..EExtended strand (participates in β ladder)trans-57.7135.4162.4-68.7-175.7000109.5I375 V396 L398 Q412 F414 L480 V489 W503I375-L385 HydrophobicContact CB-CB 4.31Å; I375-L385 HydrophobicContact CB-CD1 3.86Å; I375-L385 HydrophobicContact CB-CG 4.1Å; I375-L385 HydrophobicContact CD1-CD1 3.85Å; I375-L385 HydrophobicContact CG1-CD1 4.46Å; I375-L385 HydrophobicContact CG2-CD1 3.7Å; I375-L385 HydrophobicContact CG2-CG 4.08Å; I375-L385 PolarHBondContact O-N 3.12Å; L385-V396 HydrophobicContact CB-CG1 4.45Å; L385-V396 HydrophobicContact CD2-CG1 4.31Å; L385-L398 HydrophobicContact CD2-CD2 4.08Å; L385-Q412 WeakPolarHBondContact O-CG 3.38Å; L385-F414 HydrophobicContact CB-CD2 4.48Å; L385-F414 HydrophobicContact CB-CE2 3.76Å; L385-F414 HydrophobicContact CB-CZ 4.14Å; L385-F414 WeakPolarHBondContact O-CE2 3.46Å; L385-L480 HydrophobicContact CD1-CD2 3.84Å; L385-L480 HydrophobicContact CD2-CD2 4.45Å; L385-V489 HydrophobicContact CD2-CB 4.24Å; L385-V489 HydrophobicContact CD2-CG1 3.78Å; L385-V489 HydrophobicContact CD2-CG2 3.44Å; L385-V489 VanDerWaalsContact CD2-CG2 3.44Å; L385-W503 HydrophobicContact CD1-CZ3 4.46Å; L385-W503 HydrophobicContact CD2-CH2 3.74Å; L385-W503 HydrophobicContact CD2-CZ3 3.64Å; L385-W503 HydrophobicContact CG-CE3 4.38Å; L385-W503 HydrophobicContact CG-CH2 4.41Å; L385-W503 HydrophobicContact CG-CZ3 3.86Å
386D97.5Very high95.7Very high5 Ų545.6 Ų45.63%0.02724%0.244CC..EExtended strand (participates in β ladder)trans-138.6125.4-175.6-170.1-69.4000111.4C384 T388 V396 K397 R399 Q412C384-D386 PolarHBondContact O-N 3.16Å; D386-T388 WeakPolarHBondContact OD1-CB 3.39Å; D386-T388 PolarHBondContact OD1-N 3.32Å; D386-T388 PolarHBondContact OD1-OG1 3.44Å; D386-T388 PolarHBondContact OD2-OG1 3.41Å; D386-V396 WeakPolarHBondContact O-CG1 3.27Å; D386-K397 PolarHBondContact N-O 3.42Å; D386-K397 PolarHBondContact O-N 2.61Å; D386-K397 VanDerWaalsContact O-N 3.14Å; D386-R399 HydrophobicContact CB-CB 3.85Å; D386-R399 HydrophobicContact CB-CG 3.88Å; D386-R399 IonicContact OD1-NE 3.3Å; D386-Q412 HydrophobicContact CB-CG 3.98Å; D386-Q412 WeakPolarHBondContact OD2-CG 3.44Å; D386-Q412 PolarHBondContact OD2-NE2 3.04Å
387A96.8Very high95.8Very high5 Ų547.2 Ų47.24%0.04125%0.253CS..  trans-104.99.4-175.600000113.7D389 A390 V411 F414 V424 L444A387-D389 VanDerWaalsContact C-N 3.32Å; A387-D389 PolarHBondContact O-N 2.81Å; A387-A390 HydrophobicContact CB-CB 4.37Å; A387-A390 PolarHBondContact O-N 3.22Å; A387-A390 VanDerWaalsContact O-N 3.07Å; A387-V411 HydrophobicContact CB-CB 4.18Å; A387-V411 HydrophobicContact CB-CG1 3.95Å; A387-V411 WeakPolarHBondContact CB-O 3.19Å; A387-V411 PolarHBondContact N-O 2.85Å; A387-F414 HydrophobicContact CB-CE1 4.18Å; A387-F414 HydrophobicContact CB-CZ 3.87Å; A387-V424 HydrophobicContact CB-CG2 3.77Å; A387-L444 HydrophobicContact CB-CD1 3.79Å
388T94.7Very high95.8Very high52 Ų5247.2 Ų47.232%0.31925%0.252SS..THydrogen-bonded Turntrans-55.3-43.6-168.6-54.80000113.5D386 G410 V411D386-T388 WeakPolarHBondContact OD1-CB 3.39Å; D386-T388 PolarHBondContact OD1-N 3.32Å; D386-T388 PolarHBondContact OD1-OG1 3.44Å; D386-T388 PolarHBondContact OD2-OG1 3.41Å; T388-G410 VanDerWaalsContact OG1-CA 3.22Å; T388-G410 WeakPolarHBondContact OG1-CA 3.41Å; T388-V411 PolarHBondContact OG1-N 3.23Å
389D93.2Very high95.8Very high77 Ų7747.9 Ų47.941%0.41225%0.248SC..THydrogen-bonded Turntrans-106.83.3179.4-44.3-52000112.2A387 N391 T394 R399A387-D389 VanDerWaalsContact C-N 3.32Å; A387-D389 PolarHBondContact O-N 2.81Å; D389-N391 PolarHBondContact O-ND2 3.29Å; D389-T394 HydrophobicContact CB-CG2 4.22Å; D389-T394 VanDerWaalsContact O-CB 3.25Å; D389-T394 WeakPolarHBondContact O-CB 3.35Å; D389-T394 VanDerWaalsContact O-CG2 3.27Å; D389-T394 WeakPolarHBondContact O-CG2 3.22Å; D389-R399 IonicContact OD1-NH2 2.62Å; D389-R399 IonicContact OD2-CZ 3.58Å; D389-R399 IonicContact OD2-NH2 3.36Å; D389-R399 PolarHBondContact OD2-NH2 3.15Å
390A95Very high95.7Very high16 Ų1648.1 Ų48.113%0.13225%0.247CC..  trans-74.3135.8-169.500000110.9A387 T394 V396 L444A387-A390 HydrophobicContact CB-CB 4.37Å; A387-A390 PolarHBondContact O-N 3.22Å; A387-A390 VanDerWaalsContact O-N 3.07Å; A390-T394 VanDerWaalsContact CA-O 3.27Å; A390-T394 WeakPolarHBondContact CA-O 3.36Å; A390-V396 HydrophobicContact CB-CG2 3.71Å; A390-L444 HydrophobicContact CB-CB 4.42Å; A390-L444 HydrophobicContact CB-CD1 3.82Å; A390-L444 HydrophobicContact CB-CG 3.79Å
391N93.4Very high95.7Very high67 Ų6745.6 Ų45.636%0.35823%0.233SC..SBendtrans-155.7-169.8178.256.757.3000108.5D389 Y393 T394 I443 L444D389-N391 PolarHBondContact O-ND2 3.29Å; N391-Y393 PolarHBondContact O-N 3.24Å; N391-Y393 VanDerWaalsContact O-N 3.09Å; N391-Y393 WeakPolarHBondContact OD1-CA 3.48Å; N391-Y393 WeakPolarHBondContact OD1-CB 3.39Å; N391-Y393 PolarHBondContact OD1-N 3.39Å; N391-T394 PolarHBondContact N-O 3.49Å; N391-T394 PolarHBondContact ND2-OG1 3.34Å; N391-T394 PolarHBondContact O-N 3.26Å; N391-T394 WeakPolarHBondContact OD1-CB 3.4Å; N391-T394 PolarHBondContact OD1-N 3.48Å; N391-T394 PolarHBondContact OD1-OG1 2.56Å; N391-I443 WeakPolarHBondContact O-CB 3.46Å; N391-L444 CarbonylContact C-O 3.57Å
392E90.9Very high95.7Very high91 Ų9143.7 Ų43.743%0.42522%0.219SC..SBendtrans-63.5-16.8-17866-174.7-174.800114.4L444 Y445E392-L444 PolarHBondContact N-O 3.18Å; E392-Y445 HydrophobicContact CB-CD2 4.25Å
393Y89.9Confident95.5Very high160 Ų16044.3 Ų44.363%0.62722%0.22SC*.SBendtrans-112-23.8178.6-51.2-70000113.5N391N391-Y393 PolarHBondContact O-N 3.24Å; N391-Y393 VanDerWaalsContact O-N 3.09Å; N391-Y393 WeakPolarHBondContact OD1-CA 3.48Å; N391-Y393 WeakPolarHBondContact OD1-CB 3.39Å; N391-Y393 PolarHBondContact OD1-N 3.39Å
394T94.8Very high95.3Very high42 Ų4247.8 Ų47.826%0.25824%0.238SC..SBendtrans-110.4120-174.3-53.80000109.6D389 A390 N391D389-T394 HydrophobicContact CB-CG2 4.22Å; D389-T394 VanDerWaalsContact O-CB 3.25Å; D389-T394 WeakPolarHBondContact O-CB 3.35Å; D389-T394 VanDerWaalsContact O-CG2 3.27Å; D389-T394 WeakPolarHBondContact O-CG2 3.22Å; A390-T394 VanDerWaalsContact CA-O 3.27Å; A390-T394 WeakPolarHBondContact CA-O 3.36Å; N391-T394 PolarHBondContact N-O 3.49Å; N391-T394 PolarHBondContact ND2-OG1 3.34Å; N391-T394 PolarHBondContact O-N 3.26Å; N391-T394 WeakPolarHBondContact OD1-CB 3.4Å; N391-T394 PolarHBondContact OD1-N 3.48Å; N391-T394 PolarHBondContact OD1-OG1 2.56Å
395P96.7Very high94.8Very high37 Ų3750.9 Ų50.924%0.2426%0.255CS..  trans-74.1156.8-174.631.3-36.8000112.6I441 V442P395-I441 HydrophobicContact CB-CB 3.99Å; P395-I441 HydrophobicContact CB-CD1 4.36Å; P395-I441 HydrophobicContact CB-CG2 4.36Å; P395-V442 CarbonylContact C-O 3.58Å; P395-V442 VanDerWaalsContact CA-O 3.22Å; P395-V442 WeakPolarHBondContact CA-O 3.19Å; P395-V442 WeakPolarHBondContact CB-O 3.14Å
396V97.6Very high94.2Very high1 Ų156.5 Ų56.51%0.00629%0.291CS..  trans-62142.7163.7177.40000109.1L385 D386 A390 L431 V442 L444L385-V396 HydrophobicContact CB-CG1 4.45Å; L385-V396 HydrophobicContact CD2-CG1 4.31Å; D386-V396 WeakPolarHBondContact O-CG1 3.27Å; A390-V396 HydrophobicContact CB-CG2 3.71Å; V396-L431 HydrophobicContact CG2-CD2 3.72Å; V396-V442 PolarHBondContact N-O 3.01Å; V396-L444 HydrophobicContact CG2-CD2 4.4Å; V396-L444 HydrophobicContact CG2-CG 4.25Å
397K97.7Very high93.8Very high82 Ų8263 Ų6336%0.35733%0.326SS..EExtended strand (participates in β ladder)trans-129.5174.6-174.1-68.2175.4-171.3170.20111D386 R487D386-K397 PolarHBondContact N-O 3.42Å; D386-K397 PolarHBondContact O-N 2.61Å; D386-K397 VanDerWaalsContact O-N 3.14Å; K397-R487 WeakPolarHBondContact CB-O 3.25Å
398L97.9Very high93.2Very high1 Ų164.4 Ų64.41%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-94.5132.6164.9-67.9178.2000110.3L383 C384 L385 R487 V489 W503L383-L398 HydrophobicContact CB-CB 4.24Å; L383-L398 HydrophobicContact CB-CD1 4.43Å; L383-L398 HydrophobicContact CB-CD2 4.48Å; L383-L398 HydrophobicContact CD1-CB 4.29Å; L383-L398 HydrophobicContact CD1-CD1 4.19Å; C384-L398 VanDerWaalsContact O-CA 3.32Å; C384-L398 WeakPolarHBondContact O-CA 3.36Å; L385-L398 HydrophobicContact CD2-CD2 4.08Å; L398-R487 HydrophobicContact CB-CB 4.28Å; L398-R487 PolarHBondContact N-O 3.18Å; L398-R487 WeakPolarHBondContact O-CB 3.49Å; L398-V489 HydrophobicContact CD2-CG2 4.08Å; L398-V489 HydrophobicContact CG-CG2 3.9Å; L398-W503 HydrophobicContact CD2-CH2 4.33Å; L398-W503 HydrophobicContact CD2-CZ3 4.07Å
399R96.7Very high92.9Very high74 Ų7469.1 Ų69.128%0.27936%0.356SS..EExtended strand (participates in β ladder)trans-135161171-70.5-167.7179.5-173.1-4.2110L383 C384 D386 D389 C401L383-R399 WeakPolarHBondContact CA-O 3.43Å; C384-R399 PolarHBondContact N-O 2.95Å; C384-R399 PolarHBondContact O-N 3.01Å; D386-R399 HydrophobicContact CB-CB 3.85Å; D386-R399 HydrophobicContact CB-CG 3.88Å; D386-R399 IonicContact OD1-NE 3.3Å; D389-R399 IonicContact OD1-NH2 2.62Å; D389-R399 IonicContact OD2-CZ 3.58Å; D389-R399 IonicContact OD2-NH2 3.36Å; D389-R399 PolarHBondContact OD2-NH2 3.15Å; R399-C401 PolarHBondContact O-N 3.3Å
400P96.5Very high92.8Very high46 Ų4666.6 Ų66.630%0.29935%0.347SS..EExtended strand (participates in β ladder)trans-49.8137.3171.3-27.836.4000111.1H382 T402 V408 Q412H382-P400 CarbonylContact O-C 3.55Å; H382-P400 VanDerWaalsContact O-CA 3.28Å; H382-P400 WeakPolarHBondContact O-CA 3.5Å; P400-T402 PolarHBondContact O-N 3.47Å; P400-V408 HydrophobicContact CB-CG2 4.21Å; P400-V408 WeakPolarHBondContact O-CG1 3.43Å; P400-Q412 PolarHBondContact O-NE2 3.43Å
401C96.8Very high92.8Very high1 Ų167.8 Ų67.81%0.00735%0.353CS..  trans-65127.5-176.9-690000111.7H382 C384 R399 K403 D404 N405 Q412H382-C401 PolarHBondContact O-N 2.98Å; C384-C401 HydrophobicContact CB-CB 4.07Å; C384-C401 WeakPolarHBondContact CB-SG 3.39Å; C384-C401 PolarHBondContact N-SG 3.23Å; C384-C401 VanDerWaalsContact SG-CA 3.54Å; C384-C401 WeakPolarHBondContact SG-CB 3.38Å; C384-C401 CovalentContact SG-SG 2.04Å; C384-C401 PolarHBondContact SG-SG 2.74Å; R399-C401 PolarHBondContact O-N 3.3Å; C401-K403 PolarHBondContact O-N 3.2Å; C401-D404 HydrophobicContact CB-CB 4.27Å; C401-D404 PolarHBondContact O-N 2.88Å; C401-N405 PolarHBondContact O-N 3.31Å; C401-Q412 VanDerWaalsContact CA-OE1 3.31Å
402T94.1Very high92.9Very high31 Ų3164.7 Ų64.719%0.1934%0.337CS..THydrogen-bonded Turntrans-61.4-30.3-177.456.80000112.6E374 P400 D404 N405 V408 Q412E374-T402 PolarHBondContact OE1-N 2.96Å; E374-T402 PolarHBondContact OE1-OG1 2.84Å; P400-T402 PolarHBondContact O-N 3.47Å; T402-D404 VanDerWaalsContact C-N 3.32Å; T402-N405 CarbonylContact O-C 3.53Å; T402-N405 VanDerWaalsContact O-O 3.06Å; T402-V408 HydrophobicContact CG2-CG1 4.14Å; T402-V408 WeakPolarHBondContact CG2-O 3.37Å; T402-Q412 HydrophobicContact CG2-CB 4.35Å; T402-Q412 VanDerWaalsContact CG2-CD 3.44Å; T402-Q412 HydrophobicContact CG2-CG 3.9Å
403K92.5Very high93.1Very high134 Ų13466.1 Ų66.158%0.58334%0.341SS*.THydrogen-bonded Turntrans-72.9-22.9176.3-166.4175.6-176.9177.40113.7E374 C401 E506E374-K403 WeakPolarHBondContact OE1-CB 3.32Å; E374-K403 PolarHBondContact OE1-N 3.37Å; E374-K403 WeakPolarHBondContact OE2-CB 3.44Å; C401-K403 PolarHBondContact O-N 3.2Å; K403-E506 IonicContact NZ-OE1 2.82Å; K403-E506 PolarHBondContact NZ-OE1 2.57Å
404D93.1Very high93.5Very high82 Ų8258.5 Ų58.544%0.43931%0.311SS..THydrogen-bonded Turntrans-86.8-21.7-179.9-63.1-7.8000111.8R376 C401 T402R376-D404 IonicContact CZ-OD1 3.55Å; R376-D404 VanDerWaalsContact CZ-OD1 3.3Å; R376-D404 IonicContact CZ-OD2 3.3Å; R376-D404 VanDerWaalsContact NH1-CG 3.3Å; R376-D404 IonicContact NH1-OD1 2.73Å; R376-D404 PolarHBondContact NH1-OD1 3.07Å; R376-D404 IonicContact NH1-OD2 2.97Å; R376-D404 PolarHBondContact NH1-OD2 3.09Å; R376-D404 IonicContact NH2-OD1 3.84Å; R376-D404 PolarHBondContact NH2-OD1 2.88Å; R376-D404 IonicContact NH2-OD2 2.74Å; C401-D404 HydrophobicContact CB-CB 4.27Å; C401-D404 PolarHBondContact O-N 2.88Å; T402-D404 VanDerWaalsContact C-N 3.32Å
405N88.2Confident93.5Very high65 Ų6557.9 Ų57.935%0.34831%0.306SS..  trans-145.7111.4176.3-176.9-6.5000111.2C401 T402 D407 V408C401-N405 PolarHBondContact O-N 3.31Å; T402-N405 CarbonylContact O-C 3.53Å; T402-N405 VanDerWaalsContact O-O 3.06Å; N405-D407 PolarHBondContact O-N 3.35Å; N405-D407 VanDerWaalsContact O-N 3.15Å; N405-D407 WeakPolarHBondContact OD1-CB 3.46Å; N405-D407 PolarHBondContact OD1-N 2.97Å; N405-V408 HydrophobicContact CB-CB 4.5Å; N405-V408 HydrophobicContact CB-CG2 3.81Å; N405-V408 WeakPolarHBondContact O-CB 3.47Å; N405-V408 PolarHBondContact O-N 2.89Å
406P84.9Confident93.4Very high117 Ų11756.8 Ų56.876%0.7630%0.297SS*.THydrogen-bonded Turntrans-64.3-18-179.326.9-34000114.2V408P406-V408 PolarHBondContact O-N 2.83Å
407D87.9Confident93.1Very high141 Ų14156.8 Ų56.875%0.75430%0.297SS*.THydrogen-bonded Turntrans-75.7-14.3174.5-61.1-36000112.4N405 I409N405-D407 PolarHBondContact O-N 3.35Å; N405-D407 VanDerWaalsContact O-N 3.15Å; N405-D407 WeakPolarHBondContact OD1-CB 3.46Å; N405-D407 PolarHBondContact OD1-N 2.97Å; D407-I409 PolarHBondContact O-N 3.24Å
408V85.3Confident92.6Very high35 Ų3555.8 Ų55.821%0.21229%0.291CS..  trans-84.9111.8176.4-179.80000108.7P400 T402 N405 P406P400-V408 HydrophobicContact CB-CG2 4.21Å; P400-V408 WeakPolarHBondContact O-CG1 3.43Å; T402-V408 HydrophobicContact CG2-CG1 4.14Å; T402-V408 WeakPolarHBondContact CG2-O 3.37Å; N405-V408 HydrophobicContact CB-CB 4.5Å; N405-V408 HydrophobicContact CB-CG2 3.81Å; N405-V408 WeakPolarHBondContact O-CB 3.47Å; N405-V408 PolarHBondContact O-N 2.89Å; P406-V408 PolarHBondContact O-N 2.83Å
409I87.7Confident92.2Very high152 Ų15257.6 Ų57.678%0.77930%0.3SS*.  trans-94.4125172.3-57.1175.1000108.1D407D407-I409 PolarHBondContact O-N 3.24Å
410G90.5Very high92.1Very high23 Ų2357.6 Ų57.624%0.23730%0.303CS..  trans-162.7157.4177.200000113.5T388 Q412T388-G410 VanDerWaalsContact OG1-CA 3.22Å; T388-G410 WeakPolarHBondContact OG1-CA 3.41Å; G410-Q412 PolarHBondContact O-N 2.78Å
411V95Very high91.9Very high42 Ų4255.6 Ų55.626%0.25529%0.289SS..  trans-90.785.7172.7-176.90000107.9A387 T388 V424A387-V411 HydrophobicContact CB-CB 4.18Å; A387-V411 HydrophobicContact CB-CG1 3.95Å; A387-V411 WeakPolarHBondContact CB-O 3.19Å; A387-V411 PolarHBondContact N-O 2.85Å; T388-V411 PolarHBondContact OG1-N 3.23Å; V411-V424 HydrophobicContact CG1-CG1 3.29Å
412Q96.1Very high91.9Very high2 Ų255.5 Ų55.51%0.00929%0.289CS..  trans-118.64.9-171.8-62-171.4-5.600114.5E374 C384 L385 D386 P400 C401 T402 G410 F414E374-Q412 WeakPolarHBondContact CA-O 3.29Å; E374-Q412 HydrophobicContact CG-CB 4.4Å; C384-Q412 HydrophobicContact CB-CG 4.49Å; C384-Q412 VanDerWaalsContact CB-OE1 3.32Å; L385-Q412 WeakPolarHBondContact O-CG 3.38Å; D386-Q412 HydrophobicContact CB-CG 3.98Å; D386-Q412 WeakPolarHBondContact OD2-CG 3.44Å; D386-Q412 PolarHBondContact OD2-NE2 3.04Å; P400-Q412 PolarHBondContact O-NE2 3.43Å; C401-Q412 VanDerWaalsContact CA-OE1 3.31Å; T402-Q412 HydrophobicContact CG2-CB 4.35Å; T402-Q412 VanDerWaalsContact CG2-CD 3.44Å; T402-Q412 HydrophobicContact CG2-CG 3.9Å; G410-Q412 PolarHBondContact O-N 2.78Å; Q412-F414 WeakPolarHBondContact O-CD2 3.41Å
413K96.1Very high92Very high120 Ų12055.9 Ų55.952%0.52229%0.287SS..EExtended strand (participates in β ladder)trans-96.9117.4179.1-67.3-169.2176.4-172.60110.3M425K413-M425 HydrophobicContact CB-CB 4.16Å; K413-M425 HydrophobicContact CB-CG 4.08Å; K413-M425 HydrophobicContact CB-SD 3.79Å; K413-M425 HydrophobicContact CD-SD 4.49Å; K413-M425 PolarHBondContact O-N 3.09Å
414F97Very high92.1Very high0 Ų049.6 Ų49.60%026%0.26CS..EExtended strand (participates in β ladder)trans-117.3156.3177.8-61.2-92.6000110D372 G373 I375 L385 A387 Q412 I422 R423 V424 L431 W505D372-F414 CarbonylContact C-O 3Å; D372-F414 WeakPolarHBondContact CA-O 3.44Å; G373-F414 PolarHBondContact N-O 2.67Å; G373-F414 PolarHBondContact O-N 2.96Å; I375-F414 HydrophobicContact CD1-CB 3.71Å; I375-F414 HydrophobicContact CD1-CD2 3.98Å; I375-F414 HydrophobicContact CD1-CG 3.89Å; I375-F414 HydrophobicContact CG1-CB 4.29Å; I375-F414 HydrophobicContact CG1-CD2 4.28Å; L385-F414 HydrophobicContact CB-CD2 4.48Å; L385-F414 HydrophobicContact CB-CE2 3.76Å; L385-F414 HydrophobicContact CB-CZ 4.14Å; L385-F414 WeakPolarHBondContact O-CE2 3.46Å; A387-F414 HydrophobicContact CB-CE1 4.18Å; A387-F414 HydrophobicContact CB-CZ 3.87Å; Q412-F414 WeakPolarHBondContact O-CD2 3.41Å; F414-I422 HydrophobicContact CB-CG2 3.98Å; F414-I422 HydrophobicContact CD1-CG2 3.98Å; F414-I422 HydrophobicContact CG-CG2 4.27Å; F414-R423 CarbonylContact C-O 3.54Å; F414-R423 VanDerWaalsContact CA-O 3.28Å; F414-R423 WeakPolarHBondContact CA-O 3.48Å; F414-V424 HydrophobicContact CD1-CG2 4.05Å; F414-V424 HydrophobicContact CE1-CG2 3.67Å; F414-V424 HydrophobicContact CZ-CG2 4.48Å; F414-L431 HydrophobicContact CE1-CD2 4.03Å; F414-W505 HydrophobicContact CB-CZ2 3.9Å
415E95Very high92Very high30 Ų3048.4 Ų48.414%0.1425%0.252CS..EExtended strand (participates in β ladder)trans-128.6145168.165.3179.8168.600110.9S369 A371 D372 I422 R423 M425S369-E415 PolarHBondContact OG-OE2 2.81Å; A371-E415 CarbonylContact O-C 3.58Å; A371-E415 VanDerWaalsContact O-CA 3.29Å; A371-E415 WeakPolarHBondContact O-CA 3.29Å; D372-E415 HydrophobicContact CB-CB 4.43Å; E415-I422 WeakPolarHBondContact O-CA 3.3Å; E415-R423 HydrophobicContact CG-CG 3.46Å; E415-R423 VanDerWaalsContact CG-CG 3.46Å; E415-R423 PolarHBondContact N-O 3.23Å; E415-R423 PolarHBondContact O-N 3.02Å; E415-R423 IonicContact OE1-CZ 2.73Å; E415-R423 IonicContact OE1-NE 4Å; E415-R423 PolarHBondContact OE1-NE 3.34Å; E415-R423 IonicContact OE1-NH2 3.59Å; E415-R423 PolarHBondContact OE1-NH2 3.45Å; E415-R423 IonicContact OE2-NH2 3.68Å; E415-M425 HydrophobicContact CB-CG 4.04Å; E415-M425 HydrophobicContact CG-CG 4.3Å
416Y94.9Very high91.6Very high14 Ų1455.3 Ų55.36%0.05528%0.279CS..EExtended strand (participates in β ladder)trans-95.4106.4170.5-175.6-96.6000109.3S369 N370 A371 E420 D421 I422 W456 I458S369-Y416 CarbonylContact C-O 3.57Å; S369-Y416 VanDerWaalsContact CA-O 3.25Å; S369-Y416 WeakPolarHBondContact CA-O 3.17Å; S369-Y416 VanDerWaalsContact CB-O 3.25Å; S369-Y416 WeakPolarHBondContact CB-O 3.47Å; N370-Y416 HydrophobicContact CB-CD1 3.79Å; N370-Y416 HydrophobicContact CB-CE1 4.36Å; N370-Y416 PolarHBondContact N-O 2.96Å; A371-Y416 PolarHBondContact O-N 3.3Å; Y416-E420 HydrophobicContact CE2-CB 4.49Å; Y416-E420 WeakPolarHBondContact OH-CB 3.45Å; Y416-E420 WeakPolarHBondContact OH-CG 3.19Å; Y416-D421 WeakPolarHBondContact CA-O 3.48Å; Y416-I422 HydrophobicContact CD2-CG1 4.05Å; Y416-W456 HydrophobicContact CE2-CB 4.38Å; Y416-W456 WeakPolarHBondContact CE2-O 3.4Å; Y416-W456 PolarHBondContact OH-O 2.88Å; Y416-I458 HydrophobicContact CD1-CD1 3.75Å; Y416-I458 HydrophobicContact CD2-CD1 3.55Å; Y416-I458 HydrophobicContact CD2-CG1 3.9Å; Y416-I458 HydrophobicContact CE1-CD1 3.99Å; Y416-I458 HydrophobicContact CE1-CG1 4.46Å; Y416-I458 HydrophobicContact CE2-CD1 3.81Å; Y416-I458 HydrophobicContact CE2-CG1 3.72Å; Y416-I458 HydrophobicContact CG-CD1 3.47Å; Y416-I458 VanDerWaalsContact CG-CD1 3.47Å; Y416-I458 HydrophobicContact CG-CG1 4.31Å
417S91.2Very high91.4Very high1 Ų154 Ų541%0.00726%0.263CS..  trans-85.5169.6-172.490.40000112.5H419 E420 D421S417-H419 PolarHBondContact O-N 3.5Å; S417-H419 VanDerWaalsContact O-N 3.12Å; S417-H419 PolarHBondContact OG-N 2.82Å; S417-H419 VanDerWaalsContact OG-N 3.16Å; S417-E420 PolarHBondContact O-N 3.02Å; S417-D421 VanDerWaalsContact CB-OD1 3.26Å; S417-D421 WeakPolarHBondContact CB-OD1 3.43Å; S417-D421 PolarHBondContact N-O 2.74Å; S417-D421 VanDerWaalsContact OG-CG 3.23Å; S417-D421 PolarHBondContact OG-OD1 3.07Å
418Y88.6Confident91.3Very high61 Ų6149.9 Ų49.924%0.23925%0.254CS..THydrogen-bonded Turntrans-63.7-12.717573.3-86.7000113.9K361 P363 E366 P367 E420K361-Y418 WeakPolarHBondContact O-CE2 3.39Å; K361-Y418 PolarHBondContact O-OH 2.92Å; K361-Y418 VanDerWaalsContact O-OH 3.07Å; P363-Y418 VanDerWaalsContact CD-CZ 3.44Å; P363-Y418 WeakPolarHBondContact CD-OH 3.43Å; P363-Y418 HydrophobicContact CG-CE1 4.25Å; P363-Y418 HydrophobicContact CG-CE2 4.08Å; E366-Y418 HydrophobicContact CG-CE1 3.92Å; P367-Y418 HydrophobicContact CG-CD1 4.27Å; P367-Y418 HydrophobicContact CG-CG 3.97Å; Y418-E420 PolarHBondContact O-N 3.02Å
419H88.6Confident91.7Very high39 Ų3949.9 Ų49.918%0.18126%0.256CS..THydrogen-bonded Turntrans-80.72.7171.5-76.9-58.5000113.4K361 S417 D421K361-H419 PolarHBondContact O-CE1 2.86Å; K361-H419 PolarHBondContact O-NE2 3.33Å; S417-H419 PolarHBondContact O-N 3.5Å; S417-H419 VanDerWaalsContact O-N 3.12Å; S417-H419 PolarHBondContact OG-N 2.82Å; S417-H419 VanDerWaalsContact OG-N 3.16Å; H419-D421 VanDerWaalsContact CB-OD2 3.31Å; H419-D421 WeakPolarHBondContact CB-OD2 3.27Å; H419-D421 PolarHBondContact O-N 3.23Å
420E93.5Very high92.1Very high73 Ų7342.7 Ų42.734%0.34122%0.219SC..SBendtrans57.834.9-170.5-55.3-173141.700111.8Y416 S417 Y418 Q455 W456Y416-E420 HydrophobicContact CE2-CB 4.49Å; Y416-E420 WeakPolarHBondContact OH-CB 3.45Å; Y416-E420 WeakPolarHBondContact OH-CG 3.19Å; S417-E420 PolarHBondContact O-N 3.02Å; Y418-E420 PolarHBondContact O-N 3.02Å; E420-Q455 HydrophobicContact CB-CG 4.04Å; E420-Q455 CarbonylContact O-C 3.5Å; E420-Q455 WeakPolarHBondContact O-CA 3.48Å; E420-Q455 PolarHBondContact OE2-NE2 2.71Å; E420-W456 PolarHBondContact O-N 3.29Å
421D94.1Very high92.4Very high4 Ų441.6 Ų41.62%0.02121%0.208CC..  trans-108.4157.9172.460.338.4000111Y416 S417 H419 Q454Y416-D421 WeakPolarHBondContact CA-O 3.48Å; S417-D421 VanDerWaalsContact CB-OD1 3.26Å; S417-D421 WeakPolarHBondContact CB-OD1 3.43Å; S417-D421 PolarHBondContact N-O 2.74Å; S417-D421 VanDerWaalsContact OG-CG 3.23Å; S417-D421 PolarHBondContact OG-OD1 3.07Å; H419-D421 VanDerWaalsContact CB-OD2 3.31Å; H419-D421 WeakPolarHBondContact CB-OD2 3.27Å; H419-D421 PolarHBondContact O-N 3.23Å; D421-Q454 WeakPolarHBondContact CA-O 3.49Å; D421-Q454 WeakPolarHBondContact CB-O 3.4Å
422I96.9Very high92.5Very high0 Ų039.8 Ų39.80%020%0.197CC..EExtended strand (participates in β ladder)trans-108.3108.5173.4-58.3174000106.7I375 F414 E415 Y416 C430 L431 W456 L471 W505I375-I422 HydrophobicContact CD1-CG2 4.05Å; F414-I422 HydrophobicContact CB-CG2 3.98Å; F414-I422 HydrophobicContact CD1-CG2 3.98Å; F414-I422 HydrophobicContact CG-CG2 4.27Å; E415-I422 WeakPolarHBondContact O-CA 3.3Å; Y416-I422 HydrophobicContact CD2-CG1 4.05Å; I422-C430 CarbonylContact O-C 3.49Å; I422-C430 WeakPolarHBondContact O-CA 3.15Å; I422-L431 HydrophobicContact CB-CB 4.32Å; I422-L431 HydrophobicContact CB-CD1 3.84Å; I422-L431 HydrophobicContact CB-CG 4Å; I422-L431 HydrophobicContact CD1-CD1 4.13Å; I422-L431 HydrophobicContact CG2-CD1 3.57Å; I422-L431 HydrophobicContact CG2-CG 3.88Å; I422-L431 PolarHBondContact O-N 2.92Å; I422-W456 HydrophobicContact CD1-CB 3.75Å; I422-W456 HydrophobicContact CD1-CD2 3.91Å; I422-W456 HydrophobicContact CD1-CE3 4.42Å; I422-W456 HydrophobicContact CD1-CG 3.59Å; I422-W456 HydrophobicContact CG1-CB 3.87Å; I422-W456 HydrophobicContact CG1-CG 3.8Å; I422-L471 HydrophobicContact CD1-CD1 3.9Å; I422-L471 HydrophobicContact CD1-CD2 3.98Å; I422-L471 HydrophobicContact CD1-CG 4.37Å; I422-W505 HydrophobicContact CB-CH2 4.44Å; I422-W505 HydrophobicContact CD1-CH2 4.3Å; I422-W505 HydrophobicContact CD1-CZ3 4.23Å; I422-W505 HydrophobicContact CG1-CH2 3.98Å; I422-W505 HydrophobicContact CG1-CZ3 4.32Å; I422-W505 HydrophobicContact CG2-CH2 3.82Å; I422-W505 HydrophobicContact CG2-CZ2 4.45Å
423R94.9Very high92.5Very high39 Ų3939.8 Ų39.815%0.14720%0.197CC..EExtended strand (participates in β ladder)trans-116.7149.3-176.665.8-167.1-174.4-177.76.1111.9E366 F414 E415 M425 S429E366-R423 IonicContact OE2-NH2 2.96Å; E366-R423 PolarHBondContact OE2-NH2 2.04Å; F414-R423 CarbonylContact C-O 3.54Å; F414-R423 VanDerWaalsContact CA-O 3.28Å; F414-R423 WeakPolarHBondContact CA-O 3.48Å; E415-R423 HydrophobicContact CG-CG 3.46Å; E415-R423 VanDerWaalsContact CG-CG 3.46Å; E415-R423 PolarHBondContact N-O 3.23Å; E415-R423 PolarHBondContact O-N 3.02Å; E415-R423 IonicContact OE1-CZ 2.73Å; E415-R423 IonicContact OE1-NE 4Å; E415-R423 PolarHBondContact OE1-NE 3.34Å; E415-R423 IonicContact OE1-NH2 3.59Å; E415-R423 PolarHBondContact OE1-NH2 3.45Å; E415-R423 IonicContact OE2-NH2 3.68Å; R423-M425 PolarHBondContact O-N 3.37Å; R423-S429 WeakPolarHBondContact CA-O 3.43Å; R423-S429 WeakPolarHBondContact CB-O 3.22Å
424V95Very high92.3Very high2 Ų238.3 Ų38.31%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-69.6126.5175176.90000108.2A387 V411 F414 K426 Q427 S429 L444A387-V424 HydrophobicContact CB-CG2 3.77Å; V411-V424 HydrophobicContact CG1-CG1 3.29Å; F414-V424 HydrophobicContact CD1-CG2 4.05Å; F414-V424 HydrophobicContact CE1-CG2 3.67Å; F414-V424 HydrophobicContact CZ-CG2 4.48Å; V424-K426 PolarHBondContact O-N 3.44Å; V424-Q427 HydrophobicContact CB-CB 3.98Å; V424-Q427 HydrophobicContact CB-CG 4.33Å; V424-Q427 HydrophobicContact CG1-CB 4Å; V424-Q427 HydrophobicContact CG1-CG 3.79Å; V424-Q427 PolarHBondContact O-N 3.42Å; V424-Q427 VanDerWaalsContact O-O 3.07Å; V424-S429 PolarHBondContact N-O 3.03Å; V424-L444 HydrophobicContact CG2-CD1 3.95Å; V424-L444 HydrophobicContact CG2-CD2 3.96Å
425M90.5Very high92Very high56 Ų5642.6 Ų42.628%0.27622%0.222SC..THydrogen-bonded Turntrans-57.4134.7-176.1-69.7-171.781.100111.1D372 K413 E415 R423 Q427D372-M425 HydrophobicContact CB-CE 4.34Å; D372-M425 HydrophobicContact CB-SD 4.39Å; K413-M425 HydrophobicContact CB-CB 4.16Å; K413-M425 HydrophobicContact CB-CG 4.08Å; K413-M425 HydrophobicContact CB-SD 3.79Å; K413-M425 HydrophobicContact CD-SD 4.49Å; K413-M425 PolarHBondContact O-N 3.09Å; E415-M425 HydrophobicContact CB-CG 4.04Å; E415-M425 HydrophobicContact CG-CG 4.3Å; R423-M425 PolarHBondContact O-N 3.37Å; M425-Q427 PolarHBondContact O-N 3.45Å
426K80Confident91.7Very high210 Ų21042.7 Ų42.791%0.91323%0.228SC*.THydrogen-bonded Turntrans62.414.2-177.9-51177.8177.8-179.90114.3V424V424-K426 PolarHBondContact O-N 3.44Å
427Q81.9Confident91.7Very high89 Ų8948.1 Ų48.142%0.41625%0.252SS..SBendtrans-123.3151.2172.1-57.8-174.811.500109.8V424 M425 S429V424-Q427 HydrophobicContact CB-CB 3.98Å; V424-Q427 HydrophobicContact CB-CG 4.33Å; V424-Q427 HydrophobicContact CG1-CB 4Å; V424-Q427 HydrophobicContact CG1-CG 3.79Å; V424-Q427 PolarHBondContact O-N 3.42Å; V424-Q427 VanDerWaalsContact O-O 3.07Å; M425-Q427 PolarHBondContact O-N 3.45Å; Q427-S429 PolarHBondContact O-N 3.22Å
428G84.3Confident91.7Very high56 Ų5652.9 Ų52.958%0.57728%0.277SS*.SBendtrans-8621.1-179.300000114.4P446 C447G428-P446 WeakPolarHBondContact O-CA 3.28Å; G428-C447 PolarHBondContact O-N 3.41Å
429S93.6Very high92Very high35 Ų3556.4 Ų56.425%0.24529%0.294CS..EExtended strand (participates in β ladder)trans-116.5136.5-172.4-62.40000111.9R423 V424 Q427 Y445R423-S429 WeakPolarHBondContact CA-O 3.43Å; R423-S429 WeakPolarHBondContact CB-O 3.22Å; V424-S429 PolarHBondContact N-O 3.03Å; Q427-S429 PolarHBondContact O-N 3.22Å; S429-Y445 CarbonylContact C-O 3.51Å; S429-Y445 WeakPolarHBondContact CA-O 3.43Å
430C96.4Very high92.3Very high0 Ų055 Ų550%029%0.289CS..EExtended strand (participates in β ladder)trans-113.4152.3-175.5-78.90000110.8I422 D432 L444 Y445 C447 Q454I422-C430 CarbonylContact O-C 3.49Å; I422-C430 WeakPolarHBondContact O-CA 3.15Å; C430-D432 PolarHBondContact O-N 2.71Å; C430-L444 WeakPolarHBondContact O-CA 3.21Å; C430-Y445 PolarHBondContact N-O 2.75Å; C430-Y445 PolarHBondContact O-N 2.97Å; C430-Y445 VanDerWaalsContact O-N 3.09Å; C430-C447 VanDerWaalsContact CA-SG 3.58Å; C430-C447 HydrophobicContact CB-CB 4.05Å; C430-C447 WeakPolarHBondContact CB-SG 3.33Å; C430-C447 PolarHBondContact N-SG 2.95Å; C430-C447 VanDerWaalsContact SG-CA 3.55Å; C430-C447 WeakPolarHBondContact SG-CB 3.01Å; C430-C447 CovalentContact SG-SG 2.04Å; C430-C447 PolarHBondContact SG-SG 3.4Å; C430-Q454 HydrophobicContact CB-CG 4.3Å
431L97.6Very high92.4Very high1 Ų155.8 Ų55.81%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-63.4122.1166.7-63.6-170.6000109.3V396 F414 I422 V442 L444 W456V396-L431 HydrophobicContact CG2-CD2 3.72Å; F414-L431 HydrophobicContact CE1-CD2 4.03Å; I422-L431 HydrophobicContact CB-CB 4.32Å; I422-L431 HydrophobicContact CB-CD1 3.84Å; I422-L431 HydrophobicContact CB-CG 4Å; I422-L431 HydrophobicContact CD1-CD1 4.13Å; I422-L431 HydrophobicContact CG2-CD1 3.57Å; I422-L431 HydrophobicContact CG2-CG 3.88Å; I422-L431 PolarHBondContact O-N 2.92Å; L431-V442 HydrophobicContact CB-CG1 3.96Å; L431-V442 HydrophobicContact CD1-CG1 4.48Å; L431-V442 HydrophobicContact CD2-CG1 4.06Å; L431-V442 HydrophobicContact CG-CG1 4.4Å; L431-L444 HydrophobicContact CD2-CD2 3.88Å; L431-W456 HydrophobicContact CB-CZ2 3.91Å; L431-W456 PolarHBondContact O-NE1 2.73Å
432D96.7Very high92.6Very high4 Ų455.6 Ų55.62%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-127.7142.2-174.8-165.8-55.2000110.7C430 P434 I443 N453 Q454C430-D432 PolarHBondContact O-N 2.71Å; D432-P434 VanDerWaalsContact OD1-CD 3.29Å; D432-P434 WeakPolarHBondContact OD1-CD 3.41Å; D432-I443 HydrophobicContact CB-CG1 4.12Å; D432-I443 PolarHBondContact N-O 2.74Å; D432-I443 WeakPolarHBondContact O-CG1 3.44Å; D432-I443 PolarHBondContact O-N 2.85Å; D432-N453 PolarHBondContact OD1-ND2 3.14Å; D432-N453 PolarHBondContact OD2-ND2 2.85Å; D432-Q454 HydrophobicContact CB-CG 3.97Å; D432-Q454 WeakPolarHBondContact OD2-CG 3.45Å; D432-Q454 PolarHBondContact OD2-NE2 3.1Å
433V96.6Very high92.6Very high2 Ų256 Ų561%0.01230%0.296CS..  trans-128.788.6174.9-175.40000109.6D435 A436 A440 V442 N453 W456 L473 V491V433-D435 VanDerWaalsContact C-N 3.29Å; V433-D435 PolarHBondContact O-N 3.33Å; V433-A436 HydrophobicContact CG1-CB 4.04Å; V433-A440 HydrophobicContact CG1-CB 4.15Å; V433-V442 HydrophobicContact CG2-CG1 4.4Å; V433-V442 HydrophobicContact CG2-CG2 4.04Å; V433-N453 PolarHBondContact N-O 3.31Å; V433-N453 VanDerWaalsContact N-O 3.1Å; V433-N453 WeakPolarHBondContact O-CB 3.32Å; V433-W456 HydrophobicContact CG2-CH2 3.86Å; V433-W456 HydrophobicContact CG2-CZ2 3.84Å; V433-L473 HydrophobicContact CB-CD1 4.38Å; V433-L473 HydrophobicContact CB-CD2 3.68Å; V433-L473 HydrophobicContact CG1-CD2 4Å; V433-L473 HydrophobicContact CG2-CD1 4.15Å; V433-L473 HydrophobicContact CG2-CD2 4.05Å; V433-V491 HydrophobicContact CG1-CG1 4.46Å; V433-V491 HydrophobicContact CG1-CG2 3.87Å; V433-V491 HydrophobicContact CG2-CG1 3.9Å
434P91Very high92.6Very high89 Ų8954.6 Ų54.658%0.57829%0.291SS*.SBendtrans-60.5-34.5-172.6-27.134.7000114.6D432 I443D432-P434 VanDerWaalsContact OD1-CD 3.29Å; D432-P434 WeakPolarHBondContact OD1-CD 3.41Å; P434-I443 HydrophobicContact CG-CD1 3.51Å; P434-I443 HydrophobicContact CG-CG1 4.26Å
435D89.9Confident92.6Very high89 Ų8959.3 Ų59.348%0.47631%0.309SS..SBendtrans-135.398.3178.8174.718000108.9V433 K437 A440V433-D435 VanDerWaalsContact C-N 3.29Å; V433-D435 PolarHBondContact O-N 3.33Å; D435-K437 PolarHBondContact O-N 2.62Å; D435-K437 WeakPolarHBondContact OD2-CD 3.36Å; D435-K437 WeakPolarHBondContact OD2-CE 3.43Å; D435-K437 IonicContact OD2-NZ 3.51Å; D435-K437 PolarHBondContact OD2-NZ 3.26Å; D435-A440 WeakPolarHBondContact O-CB 3.39Å
436A90.5Very high92.6Very high32 Ų3260.4 Ų60.426%0.26432%0.32SS..  trans-7539-171.600000114.6V433 L473 S476 V478V433-A436 HydrophobicContact CG1-CB 4.04Å; A436-L473 HydrophobicContact CB-CD2 3.79Å; A436-S476 VanDerWaalsContact CB-OG 3.28Å; A436-S476 WeakPolarHBondContact CB-OG 2.96Å; A436-V478 HydrophobicContact CB-CG2 4.3Å
437K93Very high93.1Very high128 Ų12851.8 Ų51.856%0.55729%0.287SS*.  trans-68.8162.3171.664.3-178166.3-131.10111.8D435 K439 A440D435-K437 PolarHBondContact O-N 2.62Å; D435-K437 WeakPolarHBondContact OD2-CD 3.36Å; D435-K437 WeakPolarHBondContact OD2-CE 3.43Å; D435-K437 IonicContact OD2-NZ 3.51Å; D435-K437 PolarHBondContact OD2-NZ 3.26Å; K437-K439 PolarHBondContact O-N 3.39Å; K437-A440 HydrophobicContact CG-CB 3.96Å; K437-A440 WeakPolarHBondContact O-CB 3.44Å; K437-A440 PolarHBondContact O-N 3.4Å
438N92.4Very high93.3Very high102 Ų10249.8 Ų49.855%0.54528%0.277SS..THydrogen-bonded Turntrans-57.4126.9177.5-177.125.7000111.2A440 K492N438-A440 VanDerWaalsContact C-N 3.28Å; N438-A440 PolarHBondContact O-N 2.91Å; N438-K492 WeakPolarHBondContact OD1-CG 3.19Å
439K94.2Very high93.4Very high135 Ų13547.9 Ų47.959%0.58726%0.257SS*.THydrogen-bonded Turntrans6325.1-172.3-58.9-172.6172.9-175.60114.9K437 F490 V491K437-K439 PolarHBondContact O-N 3.39Å; K439-F490 HydrophobicContact CB-CD2 4.31Å; K439-F490 HydrophobicContact CG-CD2 4.11Å; K439-F490 HydrophobicContact CG-CE2 4.21Å; K439-V491 VanDerWaalsContact CA-O 3.26Å; K439-V491 WeakPolarHBondContact CA-O 3.35Å; K439-V491 PolarHBondContact N-O 3.28Å
440A95.4Very high92.9Very high9 Ų952.8 Ų52.87%0.07428%0.276CS..EExtended strand (participates in β ladder)trans-62.8138.7169.200000110.7V433 D435 K437 N438 F490 V491V433-A440 HydrophobicContact CG1-CB 4.15Å; D435-A440 WeakPolarHBondContact O-CB 3.39Å; K437-A440 HydrophobicContact CG-CB 3.96Å; K437-A440 WeakPolarHBondContact O-CB 3.44Å; K437-A440 PolarHBondContact O-N 3.4Å; N438-A440 VanDerWaalsContact C-N 3.28Å; N438-A440 PolarHBondContact O-N 2.91Å; A440-F490 CarbonylContact O-C 3.57Å; A440-F490 WeakPolarHBondContact O-CA 3.11Å; A440-F490 WeakPolarHBondContact O-CB 3.37Å; A440-V491 HydrophobicContact CB-CG2 3.81Å; A440-V491 PolarHBondContact O-N 3.25Å
441I95.8Very high92.5Very high89 Ų8953.4 Ų53.446%0.45628%0.283SS..EExtended strand (participates in β ladder)trans-70.7153.4178.759.8170.9000111.2P395 I443P395-I441 HydrophobicContact CB-CB 3.99Å; P395-I441 HydrophobicContact CB-CD1 4.36Å; P395-I441 HydrophobicContact CB-CG2 4.36Å; I441-I443 HydrophobicContact CD1-CG2 3.85Å; I441-I443 HydrophobicContact CG1-CG2 4.18Å
442V97.2Very high92.1Very high0 Ų054.7 Ų54.70%030%0.296CS..PPolyproline II helixtrans-103.7126.1171.3-173.20000108.6P395 V396 L431 V433 W456 L480 V489 V491P395-V442 CarbonylContact C-O 3.58Å; P395-V442 VanDerWaalsContact CA-O 3.22Å; P395-V442 WeakPolarHBondContact CA-O 3.19Å; P395-V442 WeakPolarHBondContact CB-O 3.14Å; V396-V442 PolarHBondContact N-O 3.01Å; L431-V442 HydrophobicContact CB-CG1 3.96Å; L431-V442 HydrophobicContact CD1-CG1 4.48Å; L431-V442 HydrophobicContact CD2-CG1 4.06Å; L431-V442 HydrophobicContact CG-CG1 4.4Å; V433-V442 HydrophobicContact CG2-CG1 4.4Å; V433-V442 HydrophobicContact CG2-CG2 4.04Å; V442-W456 HydrophobicContact CG1-CZ2 4.22Å; V442-W456 HydrophobicContact CG2-CH2 4.4Å; V442-L480 HydrophobicContact CG2-CD1 3.61Å; V442-V489 HydrophobicContact CG2-CG1 4.26Å; V442-V491 HydrophobicContact CG2-CG1 4.05Å
443I97.1Very high92Very high10 Ų1057 Ų575%0.05131%0.308CS..EExtended strand (participates in β ladder)trans-117176.1-177.458.4171.4000110.4N391 D432 P434 I441N391-I443 WeakPolarHBondContact O-CB 3.46Å; D432-I443 HydrophobicContact CB-CG1 4.12Å; D432-I443 PolarHBondContact N-O 2.74Å; D432-I443 WeakPolarHBondContact O-CG1 3.44Å; D432-I443 PolarHBondContact O-N 2.85Å; P434-I443 HydrophobicContact CG-CD1 3.51Å; P434-I443 HydrophobicContact CG-CG1 4.26Å; I441-I443 HydrophobicContact CD1-CG2 3.85Å; I441-I443 HydrophobicContact CG1-CG2 4.18Å
444L96.5Very high91.9Very high9 Ų957 Ų575%0.04731%0.309CS..EExtended strand (participates in β ladder)trans-103.3132.6166.5-72.9-174.6000110.8A387 A390 N391 E392 V396 V424 C430 L431A387-L444 HydrophobicContact CB-CD1 3.79Å; A390-L444 HydrophobicContact CB-CB 4.42Å; A390-L444 HydrophobicContact CB-CD1 3.82Å; A390-L444 HydrophobicContact CB-CG 3.79Å; N391-L444 CarbonylContact C-O 3.57Å; E392-L444 PolarHBondContact N-O 3.18Å; V396-L444 HydrophobicContact CG2-CD2 4.4Å; V396-L444 HydrophobicContact CG2-CG 4.25Å; V424-L444 HydrophobicContact CG2-CD1 3.95Å; V424-L444 HydrophobicContact CG2-CD2 3.96Å; C430-L444 WeakPolarHBondContact O-CA 3.21Å; L431-L444 HydrophobicContact CD2-CD2 3.88Å
445Y93.3Very high92.2Very high101 Ų10155.1 Ų55.140%0.39629%0.292SS..EExtended strand (participates in β ladder)trans-137.6152.7174.4-160.3-103.8000110E392 S429 C430 C447E392-Y445 HydrophobicContact CB-CD2 4.25Å; S429-Y445 CarbonylContact C-O 3.51Å; S429-Y445 WeakPolarHBondContact CA-O 3.43Å; C430-Y445 PolarHBondContact N-O 2.75Å; C430-Y445 PolarHBondContact O-N 2.97Å; C430-Y445 VanDerWaalsContact O-N 3.09Å; Y445-C447 PolarHBondContact O-N 3.34Å
446P91.9Very high92.5Very high78 Ų7850.9 Ų50.951%0.50627%0.269SS..EExtended strand (participates in β ladder)trans-50.8131.7174.5-29.636.7000112.2G428 H448 Q454G428-P446 WeakPolarHBondContact O-CA 3.28Å; P446-H448 PolarHBondContact O-N 3.01Å; P446-Q454 PolarHBondContact O-NE2 2.04Å
447C90.9Very high92.7Very high30 Ų3053.4 Ų53.420%0.20327%0.274CS..  trans-62.8116.6-179.6-66.40000110.6G428 C430 Y445G428-C447 PolarHBondContact O-N 3.41Å; C430-C447 VanDerWaalsContact CA-SG 3.58Å; C430-C447 HydrophobicContact CB-CB 4.05Å; C430-C447 WeakPolarHBondContact CB-SG 3.33Å; C430-C447 PolarHBondContact N-SG 2.95Å; C430-C447 VanDerWaalsContact SG-CA 3.55Å; C430-C447 WeakPolarHBondContact SG-CB 3.01Å; C430-C447 CovalentContact SG-SG 2.04Å; C430-C447 PolarHBondContact SG-SG 3.4Å; Y445-C447 PolarHBondContact O-N 3.34Å
448H85.5Confident92.7Very high47 Ų4748.3 Ų48.322%0.21825%0.253CS..  trans-100.6-16-178.258.474.9000113.9P446 Q450 G451 N453 Q454P446-H448 PolarHBondContact O-N 3.01Å; H448-Q450 HydrophobicContact CB-CG 4.22Å; H448-Q450 VanDerWaalsContact ND1-CB 3.35Å; H448-Q450 WeakPolarHBondContact ND1-CB 3.48Å; H448-Q450 PolarHBondContact ND1-N 2.91Å; H448-Q450 WeakPolarHBondContact O-CG 3.46Å; H448-Q450 PolarHBondContact O-N 2.85Å; H448-Q450 VanDerWaalsContact O-N 3.16Å; H448-G451 PolarHBondContact CE1-O 3.47Å; H448-G451 VanDerWaalsContact CE1-O 3.22Å; H448-N453 PolarHBondContact NE2-OD1 3Å; H448-Q454 PolarHBondContact CD2-NE2 3.23Å; H448-Q454 PolarHBondContact CD2-OE1 2.79Å; H448-Q454 VanDerWaalsContact NE2-CG 3.3Å; H448-Q454 WeakPolarHBondContact NE2-CG 3.45Å; H448-Q454 PolarHBondContact NE2-OE1 2.92Å
449G85.7Confident92.7Very high15 Ų1549.1 Ų49.116%0.15525%0.248CC..  trans5927.7176.700000113.8K361K361-G449 WeakPolarHBondContact CE-O 3.12Å
450Q82.7Confident92.5Very high138 Ų13844.8 Ų44.865%0.64523%0.234SC*.SBendtrans-103.74.5-179.7-52-179.9-3.200112.5H448H448-Q450 HydrophobicContact CB-CG 4.22Å; H448-Q450 VanDerWaalsContact ND1-CB 3.35Å; H448-Q450 WeakPolarHBondContact ND1-CB 3.48Å; H448-Q450 PolarHBondContact ND1-N 2.91Å; H448-Q450 WeakPolarHBondContact O-CG 3.46Å; H448-Q450 PolarHBondContact O-N 2.85Å; H448-Q450 VanDerWaalsContact O-N 3.16Å
451G88.2Confident92.1Very high14 Ų1447 Ų4714%0.14425%0.247CC..  trans73.7-143.7-172.400000112H448 N453 Q454H448-G451 PolarHBondContact CE1-O 3.47Å; H448-G451 VanDerWaalsContact CE1-O 3.22Å; G451-N453 PolarHBondContact O-N 2.85Å; G451-Q454 PolarHBondContact O-N 3.4Å
452G90.4Very high91.6Very high27 Ų2746 Ų4628%0.27824%0.242SC..G310 helixtrans74.3-123.8171.900000113.9Q454 Q455G452-Q454 VanDerWaalsContact C-N 3.27Å; G452-Q454 PolarHBondContact O-N 2.81Å; G452-Q455 PolarHBondContact O-N 2.87Å
453N93.3Very high90.9Very high53 Ų5355.7 Ų55.728%0.28329%0.287SS..G310 helixtrans-74.3-7.8178.356.9-41.4000114.6D432 V433 H448 G451D432-N453 PolarHBondContact OD1-ND2 3.14Å; D432-N453 PolarHBondContact OD2-ND2 2.85Å; V433-N453 PolarHBondContact N-O 3.31Å; V433-N453 VanDerWaalsContact N-O 3.1Å; V433-N453 WeakPolarHBondContact O-CB 3.32Å; H448-N453 PolarHBondContact NE2-OD1 3Å; G451-N453 PolarHBondContact O-N 2.85Å
454Q95.5Very high90.4Very high3 Ų360.6 Ų60.61%0.01431%0.313CS..G310 helixtrans-111.4-0.1171-68.5-173.9-4.600113.3D421 C430 D432 P446 H448 G451 G452D421-Q454 WeakPolarHBondContact CA-O 3.49Å; D421-Q454 WeakPolarHBondContact CB-O 3.4Å; C430-Q454 HydrophobicContact CB-CG 4.3Å; D432-Q454 HydrophobicContact CB-CG 3.97Å; D432-Q454 WeakPolarHBondContact OD2-CG 3.45Å; D432-Q454 PolarHBondContact OD2-NE2 3.1Å; P446-Q454 PolarHBondContact O-NE2 2.04Å; H448-Q454 PolarHBondContact CD2-NE2 3.23Å; H448-Q454 PolarHBondContact CD2-OE1 2.79Å; H448-Q454 VanDerWaalsContact NE2-CG 3.3Å; H448-Q454 WeakPolarHBondContact NE2-CG 3.45Å; H448-Q454 PolarHBondContact NE2-OE1 2.92Å; G451-Q454 PolarHBondContact O-N 3.4Å; G452-Q454 VanDerWaalsContact C-N 3.27Å; G452-Q454 PolarHBondContact O-N 2.81Å
455Q96Very high89.8Confident48 Ų4865.4 Ų65.422%0.22433%0.331CS..  trans-83.7124.9177-163.1176.317.900109.9E420 G452 L473 G474E420-Q455 HydrophobicContact CB-CG 4.04Å; E420-Q455 CarbonylContact O-C 3.5Å; E420-Q455 WeakPolarHBondContact O-CA 3.48Å; E420-Q455 PolarHBondContact OE2-NE2 2.71Å; G452-Q455 PolarHBondContact O-N 2.87Å; Q455-L473 CarbonylContact O-C 3.57Å; Q455-L473 WeakPolarHBondContact O-CA 3.38Å; Q455-L473 WeakPolarHBondContact O-CD1 3.15Å; Q455-G474 PolarHBondContact O-N 3.42Å
456W96.3Very high89.6Confident0 Ų062.5 Ų62.50%033%0.325CS..EExtended strand (participates in β ladder)trans-120.2133175.2-62.289.4000108.3Y416 E420 I422 L431 V433 V442 L471 V472 L473 L480 V491Y416-W456 HydrophobicContact CE2-CB 4.38Å; Y416-W456 WeakPolarHBondContact CE2-O 3.4Å; Y416-W456 PolarHBondContact OH-O 2.88Å; E420-W456 PolarHBondContact O-N 3.29Å; I422-W456 HydrophobicContact CD1-CB 3.75Å; I422-W456 HydrophobicContact CD1-CD2 3.91Å; I422-W456 HydrophobicContact CD1-CE3 4.42Å; I422-W456 HydrophobicContact CD1-CG 3.59Å; I422-W456 HydrophobicContact CG1-CB 3.87Å; I422-W456 HydrophobicContact CG1-CG 3.8Å; L431-W456 HydrophobicContact CB-CZ2 3.91Å; L431-W456 PolarHBondContact O-NE1 2.73Å; V433-W456 HydrophobicContact CG2-CH2 3.86Å; V433-W456 HydrophobicContact CG2-CZ2 3.84Å; V442-W456 HydrophobicContact CG1-CZ2 4.22Å; V442-W456 HydrophobicContact CG2-CH2 4.4Å; W456-L471 HydrophobicContact CE3-CB 4.22Å; W456-V472 CarbonylContact C-O 3.29Å; W456-V472 WeakPolarHBondContact CA-O 3.46Å; W456-L473 HydrophobicContact CD2-CD1 4Å; W456-L473 HydrophobicContact CE3-CB 4.45Å; W456-L473 HydrophobicContact CE3-CD1 4.17Å; W456-L473 HydrophobicContact CH2-CD1 3.93Å; W456-L473 HydrophobicContact CZ2-CD1 3.72Å; W456-L473 HydrophobicContact CZ3-CB 4.27Å; W456-L473 HydrophobicContact CZ3-CD1 4.14Å; W456-L480 HydrophobicContact CH2-CD1 3.9Å; W456-L480 HydrophobicContact CZ3-CB 4.03Å; W456-L480 HydrophobicContact CZ3-CD1 4.13Å; W456-V491 HydrophobicContact CH2-CG1 4Å; W456-V491 HydrophobicContact CZ3-CG1 4.39Å
457K95Very high89.6Confident86 Ų8661.1 Ų61.137%0.37431%0.314SS..EExtended strand (participates in β ladder)trans-104.1125.3172.1-65.9179.9178.1174.70108V472K457-V472 HydrophobicContact CB-CB 4.33Å; K457-V472 PolarHBondContact N-O 2.87Å; K457-V472 PolarHBondContact O-N 2.74Å
458I93Very high89.8Confident20 Ų2061.3 Ų61.310%0.10331%0.314CS..EExtended strand (participates in β ladder)trans-81.6122172.1-62.1176.3000108.6A371 Y416 L469 L471 W505 W510A371-I458 HydrophobicContact CB-CD1 4.44Å; Y416-I458 HydrophobicContact CD1-CD1 3.75Å; Y416-I458 HydrophobicContact CD2-CD1 3.55Å; Y416-I458 HydrophobicContact CD2-CG1 3.9Å; Y416-I458 HydrophobicContact CE1-CD1 3.99Å; Y416-I458 HydrophobicContact CE1-CG1 4.46Å; Y416-I458 HydrophobicContact CE2-CD1 3.81Å; Y416-I458 HydrophobicContact CE2-CG1 3.72Å; Y416-I458 HydrophobicContact CG-CD1 3.47Å; Y416-I458 VanDerWaalsContact CG-CD1 3.47Å; Y416-I458 HydrophobicContact CG-CG1 4.31Å; I458-L469 HydrophobicContact CG2-CB 4.02Å; I458-L469 HydrophobicContact CG2-CD1 4.29Å; I458-L469 HydrophobicContact CG2-CD2 3.9Å; I458-L469 HydrophobicContact CG2-CG 4.29Å; I458-L471 HydrophobicContact CG1-CD2 3.89Å; I458-W505 HydrophobicContact CD1-CE3 4.49Å; I458-W505 HydrophobicContact CD1-CZ3 4.24Å; I458-W510 HydrophobicContact CB-CH2 4.12Å; I458-W510 HydrophobicContact CG2-CH2 3.73Å; I458-W510 HydrophobicContact CG2-CZ2 4.11Å
459R92.4Very high90.3Very high120 Ų12059.1 Ų59.145%0.45330%0.304SS..EExtended strand (participates in β ladder)trans-116.3103.1173-71.2-166177.2-171.1-6.2110.2L469 H470 V472 Y496R459-L469 CarbonylContact O-C 3.59Å; R459-L469 WeakPolarHBondContact O-CA 3.47Å; R459-H470 HydrophobicContact CB-CB 4.24Å; R459-H470 PolarHBondContact N-O 3.4Å; R459-H470 PolarHBondContact O-N 3.42Å; R459-V472 HydrophobicContact CB-CG2 4.43Å; R459-V472 HydrophobicContact CG-CG2 4Å; R459-Y496 PolarHBondContact NH1-OH 3.01Å
460P89.8Confident90.8Very high43 Ų4358.6 Ų58.628%0.27930%0.298SS..EExtended strand (participates in β ladder)trans-60.2144.8174.4-21.132.6000111.7N462 R465 W510P460-N462 VanDerWaalsContact C-N 3.32Å; P460-R465 HydrophobicContact CB-CB 4.24Å; P460-R465 HydrophobicContact CG-CB 3.82Å; P460-R465 HydrophobicContact CG-CG 4.12Å; P460-W510 HydrophobicContact CG-CH2 4.3Å; P460-W510 HydrophobicContact CG-CZ2 3.88Å
461T87.9Confident91.4Very high57 Ų5752 Ų5235%0.3527%0.267SS..SBendtrans-80.2-20.8171.962.10000112.3P468T461-P468 HydrophobicContact CG2-CB 4.48Å; T461-P468 HydrophobicContact CG2-CG 4.04Å; T461-P468 PolarHBondContact N-O 3.04Å; T461-P468 VanDerWaalsContact OG1-CD 3.26Å; T461-P468 WeakPolarHBondContact OG1-CD 3.44Å; T461-P468 VanDerWaalsContact OG1-CG 3.3Å; T461-P468 WeakPolarHBondContact OG1-CG 3.46Å; T461-P468 PolarHBondContact OG1-O 2.73Å
462N84.7Confident91.9Very high67 Ų6751.6 Ų51.636%0.35826%0.262SS..SBendtrans-111.5148.9-173.6-56.2-26.4000110.9P460 D464 R465 S466 N467P460-N462 VanDerWaalsContact C-N 3.32Å; N462-D464 VanDerWaalsContact C-N 3.25Å; N462-D464 WeakPolarHBondContact CB-OD1 3.29Å; N462-D464 PolarHBondContact O-N 3.19Å; N462-R465 PolarHBondContact O-N 3.1Å; N462-R465 VanDerWaalsContact O-N 3.1Å; N462-S466 PolarHBondContact ND2-OG 3.02Å; N462-N467 PolarHBondContact ND2-O 2.98Å
463H83.3Confident92.1Very high203 Ų20350.4 Ų50.494%0.9425%0.249SC*.THydrogen-bonded Turntrans-63.9-28.6179.6-71.4-69.5000113.8R465H463-R465 PolarHBondContact O-N 3.28Å
464D85.4Confident91.8Very high114 Ų11448.7 Ų48.761%0.6124%0.244SC*.THydrogen-bonded Turntrans-77.12.3177.168.7-8.8000113.2N462 S466N462-D464 VanDerWaalsContact C-N 3.25Å; N462-D464 WeakPolarHBondContact CB-OD1 3.29Å; N462-D464 PolarHBondContact O-N 3.19Å; D464-S466 PolarHBondContact O-N 2.81Å; D464-S466 VanDerWaalsContact OD1-CB 3.29Å; D464-S466 WeakPolarHBondContact OD1-CB 3.38Å; D464-S466 PolarHBondContact OD1-N 2.98Å; D464-S466 PolarHBondContact OD1-OG 3.13Å; D464-S466 PolarHBondContact OD2-OG 3.17Å; D464-S466 VanDerWaalsContact OD2-OG 3.08Å
465R83.8Confident91.1Very high110 Ų11052.2 Ų52.242%0.41527%0.273SS..  trans59.222.4-178.1-49.6-176.2-179.4177.61.4113.8P460 N462 H463 W510P460-R465 HydrophobicContact CB-CB 4.24Å; P460-R465 HydrophobicContact CG-CB 3.82Å; P460-R465 HydrophobicContact CG-CG 4.12Å; N462-R465 PolarHBondContact O-N 3.1Å; N462-R465 VanDerWaalsContact O-N 3.1Å; H463-R465 PolarHBondContact O-N 3.28Å; R465-W510 HydrophobicContact CB-CD2 4.36Å; R465-W510 HydrophobicContact CB-CG 4.39Å; R465-W510 HydrophobicContact CB-CZ2 4.19Å; R465-W510 VanDerWaalsContact CB-NE1 3.31Å; R465-W510 PolarHBondContact O-NE1 2.94Å
466S89.4Confident90.9Very high39 Ų3952.5 Ų52.527%0.27328%0.281SS..PPolyproline II helixtrans-78.7170.7171.6680000111.5N462 D464N462-S466 PolarHBondContact ND2-OG 3.02Å; D464-S466 PolarHBondContact O-N 2.81Å; D464-S466 VanDerWaalsContact OD1-CB 3.29Å; D464-S466 WeakPolarHBondContact OD1-CB 3.38Å; D464-S466 PolarHBondContact OD1-N 2.98Å; D464-S466 PolarHBondContact OD1-OG 3.13Å; D464-S466 PolarHBondContact OD2-OG 3.17Å; D464-S466 VanDerWaalsContact OD2-OG 3.08Å
467N92.9Very high90.8Very high50 Ų5054.4 Ų54.427%0.26730%0.3SS..SBendtrans-57.9150.8166.8-75.5-45.1000111.1N462 T504 W505N462-N467 PolarHBondContact ND2-O 2.98Å; N467-T504 HydrophobicContact CB-CG2 3.99Å; N467-T504 WeakPolarHBondContact OD1-CA 3.37Å; N467-W505 PolarHBondContact ND2-O 2.77Å; N467-W505 PolarHBondContact OD1-N 3.31Å
468P94.8Very high90.9Very high34 Ų3451.1 Ų51.122%0.22129%0.287CS..PPolyproline II helixcis-80.7169.5-1.430.2-30.7000113.5V378 T461 W503 T504V378-P468 HydrophobicContact CG2-CB 3.75Å; T461-P468 HydrophobicContact CG2-CB 4.48Å; T461-P468 HydrophobicContact CG2-CG 4.04Å; T461-P468 PolarHBondContact N-O 3.04Å; T461-P468 VanDerWaalsContact OG1-CD 3.26Å; T461-P468 WeakPolarHBondContact OG1-CD 3.44Å; T461-P468 VanDerWaalsContact OG1-CG 3.3Å; T461-P468 WeakPolarHBondContact OG1-CG 3.46Å; T461-P468 PolarHBondContact OG1-O 2.73Å; P468-W503 CarbonylContact C-O 3.56Å; P468-W503 VanDerWaalsContact CA-O 3.31Å; P468-W503 WeakPolarHBondContact CA-O 3.01Å; P468-W503 WeakPolarHBondContact CB-O 3.45Å; P468-T504 HydrophobicContact CB-CG2 4.29Å
469L95.3Very high91.1Very high1 Ų150.1 Ų50.11%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-137.3155.9-178.857.286.6000111.5I458 R459 L471 W503 W505 L508I458-L469 HydrophobicContact CG2-CB 4.02Å; I458-L469 HydrophobicContact CG2-CD1 4.29Å; I458-L469 HydrophobicContact CG2-CD2 3.9Å; I458-L469 HydrophobicContact CG2-CG 4.29Å; R459-L469 CarbonylContact O-C 3.59Å; R459-L469 WeakPolarHBondContact O-CA 3.47Å; L469-L471 HydrophobicContact CD1-CD1 4.41Å; L469-L471 HydrophobicContact CD1-CD2 3.38Å; L469-L471 HydrophobicContact CD1-CG 3.63Å; L469-W503 HydrophobicContact CD1-CB 4.06Å; L469-W503 PolarHBondContact N-O 3.13Å; L469-W503 PolarHBondContact O-N 3.21Å; L469-W505 HydrophobicContact CD2-CB 4.23Å; L469-L508 HydrophobicContact CD2-CD1 4.13Å; L469-L508 HydrophobicContact CD2-CD2 3.75Å
470H96.2Very high91.4Very high4 Ų444.4 Ų44.42%0.01926%0.261CS..EExtended strand (participates in β ladder)trans-100.9134.6168.4-67.8-86.9000109.1R459 V472 Y496 Q501R459-H470 HydrophobicContact CB-CB 4.24Å; R459-H470 PolarHBondContact N-O 3.4Å; R459-H470 PolarHBondContact O-N 3.42Å; H470-V472 HydrophobicContact CB-CG2 4.36Å; H470-Y496 HydrophobicContact CB-CD1 4.4Å; H470-Y496 HydrophobicContact CB-CE1 4.45Å; H470-Y496 AromaticContact CD2-CD1 3.76Å; H470-Y496 AromaticContact CG-CD1 3.78Å; H470-Y496 AromaticContact ND1-CD1 4Å; H470-Y496 AromaticContact NE2-CD1 3.98Å; H470-Y496 PolarHBondContact NE2-O 2.99Å; H470-Q501 PolarHBondContact ND1-O 2.93Å; H470-Q501 VanDerWaalsContact ND1-O 3.13Å
471L96.9Very high91.7Very high0 Ų042.8 Ų42.80%025%0.249CC..EExtended strand (participates in β ladder)trans-100.3106.6174.6-62.7175.2000108.5I375 I422 W456 I458 L469 C479 L480 W503 W505I375-L471 HydrophobicContact CG2-CD1 4.32Å; I422-L471 HydrophobicContact CD1-CD1 3.9Å; I422-L471 HydrophobicContact CD1-CD2 3.98Å; I422-L471 HydrophobicContact CD1-CG 4.37Å; W456-L471 HydrophobicContact CE3-CB 4.22Å; I458-L471 HydrophobicContact CG1-CD2 3.89Å; L469-L471 HydrophobicContact CD1-CD1 4.41Å; L469-L471 HydrophobicContact CD1-CD2 3.38Å; L469-L471 HydrophobicContact CD1-CG 3.63Å; L471-C479 CarbonylContact O-C 3.51Å; L471-C479 WeakPolarHBondContact O-CA 3.26Å; L471-L480 HydrophobicContact CB-CB 3.89Å; L471-L480 HydrophobicContact CB-CD2 4.4Å; L471-L480 HydrophobicContact CD1-CD2 3.65Å; L471-L480 PolarHBondContact O-N 2.84Å; L471-W503 HydrophobicContact CD1-CB 4.48Å; L471-W503 HydrophobicContact CD1-CG 4.18Å; L471-W503 HydrophobicContact CG-CG 4.49Å; L471-W505 HydrophobicContact CD2-CE3 4.43Å; L471-W505 HydrophobicContact CD2-CZ3 4.04Å
472V97Very high92.2Very high5 Ų540.3 Ų40.33%0.0323%0.234CC..EExtended strand (participates in β ladder)trans-106.6121.8-171.7-1710000110.4W456 K457 R459 H470 G474 V478W456-V472 CarbonylContact C-O 3.29Å; W456-V472 WeakPolarHBondContact CA-O 3.46Å; K457-V472 HydrophobicContact CB-CB 4.33Å; K457-V472 PolarHBondContact N-O 2.87Å; K457-V472 PolarHBondContact O-N 2.74Å; R459-V472 HydrophobicContact CB-CG2 4.43Å; R459-V472 HydrophobicContact CG-CG2 4Å; H470-V472 HydrophobicContact CB-CG2 4.36Å; V472-G474 PolarHBondContact O-N 2.79Å; V472-V478 CarbonylContact C-O 3.46Å; V472-V478 WeakPolarHBondContact CA-O 3.48Å
473L95.7Very high92.8Very high2 Ų239.1 Ų39.11%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-66.1122.6175.8-164.272.1000110.3V433 A436 Q455 W456 A475 S476 G477 V478V433-L473 HydrophobicContact CB-CD1 4.38Å; V433-L473 HydrophobicContact CB-CD2 3.68Å; V433-L473 HydrophobicContact CG1-CD2 4Å; V433-L473 HydrophobicContact CG2-CD1 4.15Å; V433-L473 HydrophobicContact CG2-CD2 4.05Å; A436-L473 HydrophobicContact CB-CD2 3.79Å; Q455-L473 CarbonylContact O-C 3.57Å; Q455-L473 WeakPolarHBondContact O-CA 3.38Å; Q455-L473 WeakPolarHBondContact O-CD1 3.15Å; W456-L473 HydrophobicContact CD2-CD1 4Å; W456-L473 HydrophobicContact CE3-CB 4.45Å; W456-L473 HydrophobicContact CE3-CD1 4.17Å; W456-L473 HydrophobicContact CH2-CD1 3.93Å; W456-L473 HydrophobicContact CZ2-CD1 3.72Å; W456-L473 HydrophobicContact CZ3-CB 4.27Å; W456-L473 HydrophobicContact CZ3-CD1 4.14Å; L473-A475 PolarHBondContact O-N 2.9Å; L473-S476 WeakPolarHBondContact CD2-OG 3.27Å; L473-G477 WeakPolarHBondContact O-CA 3.16Å; L473-G477 PolarHBondContact O-N 2.82Å; L473-V478 HydrophobicContact CB-CG2 3.8Å; L473-V478 HydrophobicContact CD2-CG2 4.07Å; L473-V478 PolarHBondContact N-O 2.87Å
474G87.4Confident93.5Very high17 Ų1730.7 Ų30.718%0.17519%0.192CC..THydrogen-bonded Turntrans-61.7-43.6-165.100000114.4Q455 V472Q455-G474 PolarHBondContact O-N 3.42Å; V472-G474 PolarHBondContact O-N 2.79Å
475A80.9Confident94Very high76 Ų7634.9 Ų34.963%0.62820%0.204SC*.THydrogen-bonded Turntrans-76.2-38-174.900000114.4L473L473-A475 PolarHBondContact O-N 2.9Å
476S90.3Very high94.6Very high55 Ų5537.4 Ų37.439%0.38522%0.218SC..THydrogen-bonded Turntrans-106.5-13.4-174.1580000114A436 L473 V478A436-S476 VanDerWaalsContact CB-OG 3.28Å; A436-S476 WeakPolarHBondContact CB-OG 2.96Å; L473-S476 WeakPolarHBondContact CD2-OG 3.27Å; S476-V478 VanDerWaalsContact C-N 3.25Å; S476-V478 PolarHBondContact O-N 2.87Å; S476-V478 WeakPolarHBondContact OG-CG2 3.31Å
477G94.2Very high95Very high40 Ų4041.3 Ų41.341%0.41223%0.227SC..  trans7115.7179.100000114.7L473 C494L473-G477 WeakPolarHBondContact O-CA 3.16Å; L473-G477 PolarHBondContact O-N 2.82Å; G477-C494 PolarHBondContact O-SG 2.99Å
478V96.8Very high95.2Very high16 Ų1640.8 Ų40.810%0.09723%0.227CC..EExtended strand (participates in β ladder)trans-82.8153.1174.2-60.40000110.7A436 V472 L473 S476 V491 K492A436-V478 HydrophobicContact CB-CG2 4.3Å; V472-V478 CarbonylContact C-O 3.46Å; V472-V478 WeakPolarHBondContact CA-O 3.48Å; L473-V478 HydrophobicContact CB-CG2 3.8Å; L473-V478 HydrophobicContact CD2-CG2 4.07Å; L473-V478 PolarHBondContact N-O 2.87Å; S476-V478 VanDerWaalsContact C-N 3.25Å; S476-V478 PolarHBondContact O-N 2.87Å; S476-V478 WeakPolarHBondContact OG-CG2 3.31Å; V478-V491 HydrophobicContact CB-CB 4.26Å; V478-V491 HydrophobicContact CG2-CB 3.63Å; V478-V491 HydrophobicContact CG2-CG1 4.17Å; V478-V491 HydrophobicContact CG2-CG2 3.82Å; V478-K492 CarbonylContact C-O 3.53Å; V478-K492 WeakPolarHBondContact CA-O 3.35Å; V478-K492 WeakPolarHBondContact CB-O 3.42Å
479C97.7Very high95.4Very high0 Ų039.4 Ų39.40%022%0.218CC..EExtended strand (participates in β ladder)trans-101.3147.2-179.7-77.20000111.4L471 D481 V491 K492 C494L471-C479 CarbonylContact O-C 3.51Å; L471-C479 WeakPolarHBondContact O-CA 3.26Å; C479-D481 PolarHBondContact O-N 2.75Å; C479-V491 VanDerWaalsContact O-CA 3.27Å; C479-V491 WeakPolarHBondContact O-CA 3.18Å; C479-K492 PolarHBondContact N-O 3Å; C479-K492 PolarHBondContact O-N 2.82Å; C479-C494 HydrophobicContact CB-CB 3.99Å; C479-C494 WeakPolarHBondContact CB-SG 3.28Å; C479-C494 PolarHBondContact N-SG 3.31Å; C479-C494 VanDerWaalsContact SG-CA 3.57Å; C479-C494 WeakPolarHBondContact SG-CB 3.4Å; C479-C494 CovalentContact SG-SG 2.04Å; C479-C494 PolarHBondContact SG-SG 3.45Å
480L98.1Very high95.5Very high0 Ų040.5 Ų40.50%022%0.223CC..EExtended strand (participates in β ladder)trans-63.3125.9165.8-166.671.4000109.3L385 V442 W456 L471 V489 Q501 W503L385-L480 HydrophobicContact CD1-CD2 3.84Å; L385-L480 HydrophobicContact CD2-CD2 4.45Å; V442-L480 HydrophobicContact CG2-CD1 3.61Å; W456-L480 HydrophobicContact CH2-CD1 3.9Å; W456-L480 HydrophobicContact CZ3-CB 4.03Å; W456-L480 HydrophobicContact CZ3-CD1 4.13Å; L471-L480 HydrophobicContact CB-CB 3.89Å; L471-L480 HydrophobicContact CB-CD2 4.4Å; L471-L480 HydrophobicContact CD1-CD2 3.65Å; L471-L480 PolarHBondContact O-N 2.84Å; L480-V489 HydrophobicContact CD1-CG1 3.55Å; L480-V489 HydrophobicContact CD2-CG1 4.42Å; L480-V489 HydrophobicContact CG-CG1 4.07Å; L480-Q501 WeakPolarHBondContact O-CA 3.4Å; L480-W503 HydrophobicContact CB-CZ2 4.26Å; L480-W503 HydrophobicContact CD2-CD2 4.21Å; L480-W503 HydrophobicContact CD2-CH2 4.14Å; L480-W503 HydrophobicContact CD2-CZ2 3.64Å; L480-W503 HydrophobicContact CG-CH2 4.39Å; L480-W503 HydrophobicContact CG-CZ2 3.61Å; L480-W503 PolarHBondContact O-NE1 3.49Å
481D98Very high95.6Very high8 Ų840.3 Ų40.34%0.04322%0.222CC..EExtended strand (participates in β ladder)trans-131.7165.1-176.5-158.9-9.5000109.3C479 F490 K492 T500 Q501C479-D481 PolarHBondContact O-N 2.75Å; D481-F490 HydrophobicContact CB-CD2 3.94Å; D481-F490 HydrophobicContact CB-CE2 3.6Å; D481-F490 HydrophobicContact CB-CZ 4.25Å; D481-F490 PolarHBondContact N-O 3.34Å; D481-F490 PolarHBondContact O-N 3.24Å; D481-K492 HydrophobicContact CB-CB 4.24Å; D481-T500 WeakPolarHBondContact OD1-CB 3.13Å; D481-T500 PolarHBondContact OD1-OG1 2.93Å; D481-Q501 HydrophobicContact CB-CG 3.67Å; D481-Q501 WeakPolarHBondContact OD1-CG 3.38Å; D481-Q501 WeakPolarHBondContact OD2-CG 3.32Å; D481-Q501 PolarHBondContact OD2-NE2 2.99Å
482S97.9Very high95.6Very high5 Ų544.3 Ų44.34%0.03524%0.239CC..EExtended strand (participates in β ladder)trans-144.7157.9-176.858.10000113.2S488 T500S482-S488 WeakPolarHBondContact CA-O 3.33Å; S482-T500 PolarHBondContact N-O 3.5Å; S482-T500 WeakPolarHBondContact O-CB 3.36Å; S482-T500 PolarHBondContact OG-O 2.93Å
483D97.6Very high95.6Very high43 Ų4348 Ų4823%0.2327%0.266CS..EExtended strand (participates in β ladder)trans-120.896.2163.3-177.8-23.8000107.2K485 K486 R487 S488 F490D483-K485 PolarHBondContact O-N 2.81Å; D483-K485 WeakPolarHBondContact OD1-CB 3.41Å; D483-K485 PolarHBondContact OD1-N 3.35Å; D483-K485 VanDerWaalsContact OD1-N 3.12Å; D483-K486 HydrophobicContact CB-CB 4.16Å; D483-K486 CarbonylContact O-C 3.54Å; D483-K486 PolarHBondContact O-N 2.86Å; D483-K486 VanDerWaalsContact O-N 3.17Å; D483-K486 PolarHBondContact OD1-N 3.08Å; D483-K486 VanDerWaalsContact OD1-N 3.07Å; D483-K486 VanDerWaalsContact OD2-CD 3.24Å; D483-K486 WeakPolarHBondContact OD2-CD 3.26Å; D483-K486 WeakPolarHBondContact OD2-CG 3.28Å; D483-R487 WeakPolarHBondContact O-CA 3.43Å; D483-R487 PolarHBondContact O-N 2.65Å; D483-S488 PolarHBondContact N-O 3.12Å; D483-S488 PolarHBondContact O-N 3.32Å; D483-F490 HydrophobicContact CB-CE1 4.11Å
484P96.8Very high95.6Very high26 Ų2649.5 Ų49.517%0.16928%0.276CS..THydrogen-bonded Turntrans-54.5-35.9-179.8-30.236.7000113.6A379 D380 L383 R487A379-P484 HydrophobicContact CB-CG 3.79Å; D380-P484 HydrophobicContact CB-CB 4.06Å; D380-P484 HydrophobicContact CB-CG 4.43Å; L383-P484 HydrophobicContact CD1-CB 3.96Å; P484-R487 PolarHBondContact O-N 2.96Å
485K96.4Very high96Very high202 Ų20252.3 Ų52.388%0.87829%0.287SS*.THydrogen-bonded Turntrans-67.8-41.5180-65.7-177.3177.7-1790111.5D483D483-K485 PolarHBondContact O-N 2.81Å; D483-K485 WeakPolarHBondContact OD1-CB 3.41Å; D483-K485 PolarHBondContact OD1-N 3.35Å; D483-K485 VanDerWaalsContact OD1-N 3.12Å
486K97Very high96.6Very high162 Ų16253.9 Ų53.970%0.70428%0.277SS*.THydrogen-bonded Turntrans-87-6.1177.2-64.5-175.2-172174.30113.9D483 S488D483-K486 HydrophobicContact CB-CB 4.16Å; D483-K486 CarbonylContact O-C 3.54Å; D483-K486 PolarHBondContact O-N 2.86Å; D483-K486 VanDerWaalsContact O-N 3.17Å; D483-K486 PolarHBondContact OD1-N 3.08Å; D483-K486 VanDerWaalsContact OD1-N 3.07Å; D483-K486 VanDerWaalsContact OD2-CD 3.24Å; D483-K486 WeakPolarHBondContact OD2-CD 3.26Å; D483-K486 WeakPolarHBondContact OD2-CG 3.28Å; K486-S488 PolarHBondContact O-N 2.91Å
487R96.9Very high96.8Very high122 Ų12257 Ų5746%0.4629%0.294SS..THydrogen-bonded Turntrans55.631-175.1-63.4-173.7179.9-159.7-0.8113.9K397 L398 D483 P484K397-R487 WeakPolarHBondContact CB-O 3.25Å; L398-R487 HydrophobicContact CB-CB 4.28Å; L398-R487 PolarHBondContact N-O 3.18Å; L398-R487 WeakPolarHBondContact O-CB 3.49Å; D483-R487 WeakPolarHBondContact O-CA 3.43Å; D483-R487 PolarHBondContact O-N 2.65Å; P484-R487 PolarHBondContact O-N 2.96Å
488S97.4Very high96.9Very high39 Ų3956.1 Ų56.127%0.27328%0.282SS..EExtended strand (participates in β ladder)trans-104.4145.2-177.161.70000112S482 D483 K486S482-S488 WeakPolarHBondContact CA-O 3.33Å; D483-S488 PolarHBondContact N-O 3.12Å; D483-S488 PolarHBondContact O-N 3.32Å; K486-S488 PolarHBondContact O-N 2.91Å
489V98.1Very high96.9Very high5 Ų558.8 Ų58.83%0.0330%0.299CS..EExtended strand (participates in β ladder)trans-118.4133.6175.6-177.70000108.5L385 L398 V442 L480L385-V489 HydrophobicContact CD2-CB 4.24Å; L385-V489 HydrophobicContact CD2-CG1 3.78Å; L385-V489 HydrophobicContact CD2-CG2 3.44Å; L385-V489 VanDerWaalsContact CD2-CG2 3.44Å; L398-V489 HydrophobicContact CD2-CG2 4.08Å; L398-V489 HydrophobicContact CG-CG2 3.9Å; V442-V489 HydrophobicContact CG2-CG1 4.26Å; L480-V489 HydrophobicContact CD1-CG1 3.55Å; L480-V489 HydrophobicContact CD2-CG1 4.42Å; L480-V489 HydrophobicContact CG-CG1 4.07Å
490F97.8Very high96.8Very high24 Ų2460.4 Ų60.411%0.10531%0.309CS..EExtended strand (participates in β ladder)trans-154.3178.4-177.252.4-93.8000109.9K439 A440 D481 D483 K492K439-F490 HydrophobicContact CB-CD2 4.31Å; K439-F490 HydrophobicContact CG-CD2 4.11Å; K439-F490 HydrophobicContact CG-CE2 4.21Å; A440-F490 CarbonylContact O-C 3.57Å; A440-F490 WeakPolarHBondContact O-CA 3.11Å; A440-F490 WeakPolarHBondContact O-CB 3.37Å; D481-F490 HydrophobicContact CB-CD2 3.94Å; D481-F490 HydrophobicContact CB-CE2 3.6Å; D481-F490 HydrophobicContact CB-CZ 4.25Å; D481-F490 PolarHBondContact N-O 3.34Å; D481-F490 PolarHBondContact O-N 3.24Å; D483-F490 HydrophobicContact CB-CE1 4.11Å; F490-K492 HydrophobicContact CE2-CB 4.49Å
491V97.7Very high96.8Very high0 Ų060.5 Ų60.50%031%0.31CS..EExtended strand (participates in β ladder)trans-111.5149.3171.8-62.40000112.6V433 K439 A440 V442 W456 V478 C479V433-V491 HydrophobicContact CG1-CG1 4.46Å; V433-V491 HydrophobicContact CG1-CG2 3.87Å; V433-V491 HydrophobicContact CG2-CG1 3.9Å; K439-V491 VanDerWaalsContact CA-O 3.26Å; K439-V491 WeakPolarHBondContact CA-O 3.35Å; K439-V491 PolarHBondContact N-O 3.28Å; A440-V491 HydrophobicContact CB-CG2 3.81Å; A440-V491 PolarHBondContact O-N 3.25Å; V442-V491 HydrophobicContact CG2-CG1 4.05Å; W456-V491 HydrophobicContact CH2-CG1 4Å; W456-V491 HydrophobicContact CZ3-CG1 4.39Å; V478-V491 HydrophobicContact CB-CB 4.26Å; V478-V491 HydrophobicContact CG2-CB 3.63Å; V478-V491 HydrophobicContact CG2-CG1 4.17Å; V478-V491 HydrophobicContact CG2-CG2 3.82Å; C479-V491 VanDerWaalsContact O-CA 3.27Å; C479-V491 WeakPolarHBondContact O-CA 3.18Å
492K97Very high96.8Very high83 Ų8360.7 Ų60.736%0.36131%0.311SS..EExtended strand (participates in β ladder)trans-149.8162.8179.1-178167.3-175.9-157.90110.6N438 V478 C479 D481 F490 C494N438-K492 WeakPolarHBondContact OD1-CG 3.19Å; V478-K492 CarbonylContact C-O 3.53Å; V478-K492 WeakPolarHBondContact CA-O 3.35Å; V478-K492 WeakPolarHBondContact CB-O 3.42Å; C479-K492 PolarHBondContact N-O 3Å; C479-K492 PolarHBondContact O-N 2.82Å; D481-K492 HydrophobicContact CB-CB 4.24Å; F490-K492 HydrophobicContact CE2-CB 4.49Å; K492-C494 PolarHBondContact O-N 3.07Å
493S96.8Very high96.8Very high83 Ų8360.4 Ų60.458%0.5831%0.31SS*.EExtended strand (participates in β ladder)trans-47131.8166.4-550000110.9N495 Q501S493-N495 PolarHBondContact O-N 3.17Å; S493-Q501 PolarHBondContact O-NE2 3.25Å
494C96.5Very high96.7Very high33 Ų3360.3 Ų60.322%0.22331%0.311CS..  trans-61.8128-175.9-69.90000111.9G477 C479 K492 Y496G477-C494 PolarHBondContact O-SG 2.99Å; C479-C494 HydrophobicContact CB-CB 3.99Å; C479-C494 WeakPolarHBondContact CB-SG 3.28Å; C479-C494 PolarHBondContact N-SG 3.31Å; C479-C494 VanDerWaalsContact SG-CA 3.57Å; C479-C494 WeakPolarHBondContact SG-CB 3.4Å; C479-C494 CovalentContact SG-SG 2.04Å; C479-C494 PolarHBondContact SG-SG 3.45Å; K492-C494 PolarHBondContact O-N 3.07Å; C494-Y496 HydrophobicContact CB-CE1 3.99Å; C494-Y496 HydrophobicContact CB-CE2 4.13Å
495N96.4Very high96.7Very high76 Ų7659.1 Ų59.141%0.40630%0.303SS..  trans-124.196.9167.5179.49.6000108.2S493 T497 S498 Q501S493-N495 PolarHBondContact O-N 3.17Å; N495-T497 PolarHBondContact O-N 3.29Å; N495-T497 PolarHBondContact OD1-N 3.32Å; N495-T497 PolarHBondContact OD1-OG1 3.32Å; N495-S498 WeakPolarHBondContact O-CB 3.49Å; N495-S498 PolarHBondContact O-N 2.9Å; N495-Q501 PolarHBondContact O-OE1 3.41Å
496Y93.7Very high96.6Very high109 Ų10953.6 Ų53.643%0.42728%0.28SS..THydrogen-bonded Turntrans-67.5-8.6-172.3-59.3-66.7000114.7R459 H470 C494R459-Y496 PolarHBondContact NH1-OH 3.01Å; H470-Y496 HydrophobicContact CB-CD1 4.4Å; H470-Y496 HydrophobicContact CB-CE1 4.45Å; H470-Y496 AromaticContact CD2-CD1 3.76Å; H470-Y496 AromaticContact CG-CD1 3.78Å; H470-Y496 AromaticContact ND1-CD1 4Å; H470-Y496 AromaticContact NE2-CD1 3.98Å; H470-Y496 PolarHBondContact NE2-O 2.99Å; C494-Y496 HydrophobicContact CB-CE1 3.99Å; C494-Y496 HydrophobicContact CB-CE2 4.13Å
497T93.6Very high96.4Very high122 Ų12250.4 Ų50.475%0.74827%0.266SS*.THydrogen-bonded Turntrans-97.3-5.5173.864.20000113.2N495 P499N495-T497 PolarHBondContact O-N 3.29Å; N495-T497 PolarHBondContact OD1-N 3.32Å; N495-T497 PolarHBondContact OD1-OG1 3.32Å; T497-P499 WeakPolarHBondContact O-CD 3.26Å
498S95.9Very high96.1Very high21 Ų2146.6 Ų46.615%0.14726%0.255CS..  trans-79.2123.7-176.4-166.40000112N495 T500 Q501 S502N495-S498 WeakPolarHBondContact O-CB 3.49Å; N495-S498 PolarHBondContact O-N 2.9Å; S498-T500 PolarHBondContact O-N 2.81Å; S498-T500 PolarHBondContact OG-OG1 3.27Å; S498-Q501 PolarHBondContact O-N 3.22Å; S498-S502 PolarHBondContact O-N 2.64Å; S498-S502 PolarHBondContact O-OG 3.3Å
499P96.6Very high95.5Very high71 Ų7147 Ų4746%0.46126%0.255SS..G310 helixtrans-61.5-28.7171.9-23.935000113.2V378 A379 T497 Q501 S502V378-P499 HydrophobicContact CG1-CB 4.43Å; A379-P499 HydrophobicContact CB-CB 4.14Å; A379-P499 PolarHBondContact N-O 2.9Å; T497-P499 WeakPolarHBondContact O-CD 3.26Å; P499-Q501 VanDerWaalsContact C-N 3.27Å; P499-Q501 PolarHBondContact O-N 2.85Å; P499-S502 PolarHBondContact O-N 2.97Å
500T97.6Very high94.5Very high35 Ų3550.3 Ų50.322%0.21527%0.268CS..G310 helixtrans-74-17.3180630000113.8A379 D481 S482 S498A379-T500 HydrophobicContact CB-CG2 3.81Å; D481-T500 WeakPolarHBondContact OD1-CB 3.13Å; D481-T500 PolarHBondContact OD1-OG1 2.93Å; S482-T500 PolarHBondContact N-O 3.5Å; S482-T500 WeakPolarHBondContact O-CB 3.36Å; S482-T500 PolarHBondContact OG-O 2.93Å; S498-T500 PolarHBondContact O-N 2.81Å; S498-T500 PolarHBondContact OG-OG1 3.27Å
501Q97.6Very high92.8Very high2 Ų251.7 Ų51.71%0.00928%0.279CS..G310 helixtrans-101.9-0.7173.8-64.6-170.65.400112.7H470 L480 D481 S493 N495 S498 P499 W503H470-Q501 PolarHBondContact ND1-O 2.93Å; H470-Q501 VanDerWaalsContact ND1-O 3.13Å; L480-Q501 WeakPolarHBondContact O-CA 3.4Å; D481-Q501 HydrophobicContact CB-CG 3.67Å; D481-Q501 WeakPolarHBondContact OD1-CG 3.38Å; D481-Q501 WeakPolarHBondContact OD2-CG 3.32Å; D481-Q501 PolarHBondContact OD2-NE2 2.99Å; S493-Q501 PolarHBondContact O-NE2 3.25Å; N495-Q501 PolarHBondContact O-OE1 3.41Å; S498-Q501 PolarHBondContact O-N 3.22Å; P499-Q501 VanDerWaalsContact C-N 3.27Å; P499-Q501 PolarHBondContact O-N 2.85Å; Q501-W503 PolarHBondContact O-NE1 3.21Å
502S97.3Very high90.5Very high11 Ų1160 Ų608%0.07732%0.323CS..  trans-98.5130.2178.2-59.20000109.1V378 S498 P499V378-S502 VanDerWaalsContact CB-O 3.28Å; V378-S502 WeakPolarHBondContact CB-O 3.44Å; V378-S502 VanDerWaalsContact CG2-O 3.26Å; V378-S502 WeakPolarHBondContact CG2-O 3.3Å; V378-S502 PolarHBondContact N-O 3.22Å; S498-S502 PolarHBondContact O-N 2.64Å; S498-S502 PolarHBondContact O-OG 3.3Å; P499-S502 PolarHBondContact O-N 2.97Å
503W97.7Very high87.7Confident0 Ų061 Ų610%034%0.34CS..EExtended strand (participates in β ladder)trans-124150.4-175-55.889.5000109.9I375 R376 L385 L398 P468 L469 L471 L480 Q501I375-W503 HydrophobicContact CG2-CB 4.03Å; I375-W503 HydrophobicContact CG2-CD2 4.29Å; I375-W503 HydrophobicContact CG2-CE3 3.85Å; I375-W503 HydrophobicContact CG2-CG 4.39Å; R376-W503 CarbonylContact O-C 3.58Å; R376-W503 WeakPolarHBondContact O-CA 3.35Å; L385-W503 HydrophobicContact CD1-CZ3 4.46Å; L385-W503 HydrophobicContact CD2-CH2 3.74Å; L385-W503 HydrophobicContact CD2-CZ3 3.64Å; L385-W503 HydrophobicContact CG-CE3 4.38Å; L385-W503 HydrophobicContact CG-CH2 4.41Å; L385-W503 HydrophobicContact CG-CZ3 3.86Å; L398-W503 HydrophobicContact CD2-CH2 4.33Å; L398-W503 HydrophobicContact CD2-CZ3 4.07Å; P468-W503 CarbonylContact C-O 3.56Å; P468-W503 VanDerWaalsContact CA-O 3.31Å; P468-W503 WeakPolarHBondContact CA-O 3.01Å; P468-W503 WeakPolarHBondContact CB-O 3.45Å; L469-W503 HydrophobicContact CD1-CB 4.06Å; L469-W503 PolarHBondContact N-O 3.13Å; L469-W503 PolarHBondContact O-N 3.21Å; L471-W503 HydrophobicContact CD1-CB 4.48Å; L471-W503 HydrophobicContact CD1-CG 4.18Å; L471-W503 HydrophobicContact CG-CG 4.49Å; L480-W503 HydrophobicContact CB-CZ2 4.26Å; L480-W503 HydrophobicContact CD2-CD2 4.21Å; L480-W503 HydrophobicContact CD2-CH2 4.14Å; L480-W503 HydrophobicContact CD2-CZ2 3.64Å; L480-W503 HydrophobicContact CG-CH2 4.39Å; L480-W503 HydrophobicContact CG-CZ2 3.61Å; L480-W503 PolarHBondContact O-NE1 3.49Å; Q501-W503 PolarHBondContact O-NE1 3.21Å
504T96.6Very high85Confident40 Ų4069.8 Ų69.825%0.24536%0.361CS..EExtended strand (participates in β ladder)trans-116.3128.9167.764.10000109.3I375 R376 V378 N467 P468I375-T504 CarbonylContact C-O 3.46Å; I375-T504 WeakPolarHBondContact CA-O 3.26Å; R376-T504 WeakPolarHBondContact CB-OG1 3.39Å; R376-T504 PolarHBondContact N-O 2.97Å; R376-T504 PolarHBondContact O-N 2.55Å; V378-T504 HydrophobicContact CG2-CG2 3.76Å; N467-T504 HydrophobicContact CB-CG2 3.99Å; N467-T504 WeakPolarHBondContact OD1-CA 3.37Å; P468-T504 HydrophobicContact CB-CG2 4.29Å
505W95.5Very high84.5Confident1 Ų171.6 Ų71.60%0.00437%0.368CS..EExtended strand (participates in β ladder)trans-98.9133.4174-146.5-50.9000109.5A371 D372 G373 I375 F414 I422 I458 N467 L469 L471 K507 L508A371-W505 HydrophobicContact CB-CB 4.44Å; A371-W505 HydrophobicContact CB-CD2 3.43Å; A371-W505 VanDerWaalsContact CB-CD2 3.43Å; A371-W505 HydrophobicContact CB-CE3 3.78Å; A371-W505 HydrophobicContact CB-CG 3.74Å; A371-W505 HydrophobicContact CB-CH2 4.31Å; A371-W505 HydrophobicContact CB-CZ2 4.03Å; A371-W505 HydrophobicContact CB-CZ3 4.21Å; D372-W505 VanDerWaalsContact O-CD1 3.25Å; D372-W505 PolarHBondContact O-NE1 3.18Å; G373-W505 PolarHBondContact O-NE1 2.93Å; I375-W505 HydrophobicContact CD1-CD2 4.1Å; I375-W505 HydrophobicContact CD1-CE3 4.04Å; I375-W505 HydrophobicContact CD1-CH2 3.64Å; I375-W505 HydrophobicContact CD1-CZ2 3.68Å; I375-W505 HydrophobicContact CD1-CZ3 3.81Å; I375-W505 HydrophobicContact CG1-CD2 3.67Å; I375-W505 HydrophobicContact CG1-CE3 3.99Å; I375-W505 HydrophobicContact CG1-CG 4.13Å; I375-W505 HydrophobicContact CG1-CH2 4.29Å; I375-W505 HydrophobicContact CG1-CZ2 3.97Å; I375-W505 HydrophobicContact CG1-CZ3 4.29Å; F414-W505 HydrophobicContact CB-CZ2 3.9Å; I422-W505 HydrophobicContact CB-CH2 4.44Å; I422-W505 HydrophobicContact CD1-CH2 4.3Å; I422-W505 HydrophobicContact CD1-CZ3 4.23Å; I422-W505 HydrophobicContact CG1-CH2 3.98Å; I422-W505 HydrophobicContact CG1-CZ3 4.32Å; I422-W505 HydrophobicContact CG2-CH2 3.82Å; I422-W505 HydrophobicContact CG2-CZ2 4.45Å; I458-W505 HydrophobicContact CD1-CE3 4.49Å; I458-W505 HydrophobicContact CD1-CZ3 4.24Å; N467-W505 PolarHBondContact ND2-O 2.77Å; N467-W505 PolarHBondContact OD1-N 3.31Å; L469-W505 HydrophobicContact CD2-CB 4.23Å; L471-W505 HydrophobicContact CD2-CE3 4.43Å; L471-W505 HydrophobicContact CD2-CZ3 4.04Å; W505-K507 VanDerWaalsContact C-N 3.28Å; W505-K507 PolarHBondContact O-N 2.04Å; W505-L508 HydrophobicContact CB-CD2 3.8Å; W505-L508 HydrophobicContact CB-CG 4.35Å; W505-L508 HydrophobicContact CG-CD2 4.46Å
506E94.1Very high83.8Confident87 Ų8771.4 Ų71.441%0.40737%0.366SS..EExtended strand (participates in β ladder)trans-50.1-45.4-177.5179.4174.6-174.300113.5G373 E374 K403G373-E506 WeakPolarHBondContact CA-OE2 3.24Å; E374-E506 PolarHBondContact N-OE2 3.29Å; E374-E506 PolarHBondContact O-N 2.73Å; K403-E506 IonicContact NZ-OE1 2.82Å; K403-E506 PolarHBondContact NZ-OE1 2.57Å
507K93.2Very high83.3Confident95 Ų9569.3 Ų69.341%0.41336%0.363SS..EExtended strand (participates in β ladder)trans-132.3131.1176.6-178.4169.1155.8-120.80110.7A371 D372 W505A371-K507 WeakPolarHBondContact CA-O 3.39Å; A371-K507 WeakPolarHBondContact CB-O 3.39Å; D372-K507 PolarHBondContact N-O 3.04Å; D372-K507 WeakPolarHBondContact O-CB 3.32Å; D372-K507 PolarHBondContact O-N 3.19Å; D372-K507 IonicContact OD1-NZ 2.81Å; D372-K507 WeakPolarHBondContact OD2-CD 3.46Å; D372-K507 WeakPolarHBondContact OD2-CE 3.31Å; D372-K507 IonicContact OD2-NZ 3.65Å; D372-K507 PolarHBondContact OD2-NZ 3.22Å; W505-K507 VanDerWaalsContact C-N 3.28Å; W505-K507 PolarHBondContact O-N 2.04Å
508L91.4Very high82.7Confident41 Ų4166.2 Ų66.222%0.21534%0.34CS..EExtended strand (participates in β ladder)trans-118.7131.4173-65175.8000109.4A371 L469 W505A371-L508 HydrophobicContact CB-CD2 3.73Å; L469-L508 HydrophobicContact CD2-CD1 4.13Å; L469-L508 HydrophobicContact CD2-CD2 3.75Å; W505-L508 HydrophobicContact CB-CD2 3.8Å; W505-L508 HydrophobicContact CB-CG 4.35Å; W505-L508 HydrophobicContact CG-CD2 4.46Å
509T85.2Confident81.9Confident47 Ų4769 Ų6929%0.28835%0.352SS..  trans-132.9104.7176.7390000109.7S369 N370S369-T509 PolarHBondContact O-OG1 2.97Å; N370-T509 VanDerWaalsContact CA-O 3.24Å; N370-T509 WeakPolarHBondContact CA-O 3.35Å; N370-T509 WeakPolarHBondContact CB-O 3.48Å; N370-T509 PolarHBondContact ND2-O 2.91Å; N370-T509 CarbonylContact O-C 3.44Å; N370-T509 PolarHBondContact O-N 3.25Å; N370-T509 PolarHBondContact O-OG1 3.35Å
510W76Confident80.9Confident76 Ų7668.9 Ų68.929%0.28835%0.345SS..  trans-88.7136.9173.4-60.5107.4000109.8I458 P460 R465 N512I458-W510 HydrophobicContact CB-CH2 4.12Å; I458-W510 HydrophobicContact CG2-CH2 3.73Å; I458-W510 HydrophobicContact CG2-CZ2 4.11Å; P460-W510 HydrophobicContact CG-CH2 4.3Å; P460-W510 HydrophobicContact CG-CZ2 3.88Å; R465-W510 HydrophobicContact CB-CD2 4.36Å; R465-W510 HydrophobicContact CB-CG 4.39Å; R465-W510 HydrophobicContact CB-CZ2 4.19Å; R465-W510 VanDerWaalsContact CB-NE1 3.31Å; R465-W510 PolarHBondContact O-NE1 2.94Å; W510-N512 PolarHBondContact O-N 3.05Å
511P62.4Low79.7Confident53 Ų5371.3 Ų71.334%0.34435%0.354SS..  trans-61.8136.8172.2-17.432.4000108.9N370 S513N370-P511 WeakPolarHBondContact ND2-CD 3.41Å; P511-S513 PolarHBondContact O-N 3.37Å
512N50.2Low78.3Confident174 Ų17476.6 Ų76.693%0.9338%0.381SS*.SBendtrans-71.748.4174.1-71-25.1000111.7W510W510-N512 PolarHBondContact O-N 3.05Å
513S38Very low76.7Confident103 Ų10382.1 Ų82.172%0.7241%0.406SS*.  trans172.899.4169.4510000109.2P511P511-S513 PolarHBondContact O-N 3.37Å
514W40.5Very low74.8Confident268 Ų26889.5 Ų89.5100%1.01544%0.443SS*.  trans-133.40155.4-88.798.2000107.8

Retrieved 514 of 514 residues in 139.9 ms (Link to these results)

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