A0A087X8I9_POEFO Loading...

1,4-alpha-glucan branching enzyme 1

AlphaFold DB , UniProt , Accession A0A087X8I9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 470 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.6Very low61.4Low243 Ų243121.9 Ų121.9100%1.19763%0.626SS**  082.20-86.7165.438.200106.5
2E32.9Very low64.2Low176 Ų176117.2 Ų117.282%0.82260%0.599SS**  trans-116.5105.1163.4-87.9176.1154.300104.3H4E2-H4 VanDerWaalsContact C-N 3.28Å; E2-H4 PolarHBondContact O-N 3.32Å
3E45Very low66.6Low181 Ų181108.6 Ų108.685%0.84656%0.555SS**  trans-66.893.5164.3-79.8172.1157.200106.8E5E3-E5 PolarHBondContact O-N 3.15Å
4H40.7Very low68.6Low156 Ų156108.6 Ų108.672%0.72256%0.557SS**  trans-71.978154.2-87.8-66.3000107.3E2 D6E2-H4 VanDerWaalsContact C-N 3.28Å; E2-H4 PolarHBondContact O-N 3.32Å; H4-D6 PolarHBondContact O-N 2.89Å
5E49.1Very low70.2Confident143 Ų143105.9 Ų105.967%0.66854%0.544SS*.  trans-65.883.3153.9-86.3-171.2154.300106.6E3 N7E3-E5 PolarHBondContact O-N 3.15Å; E5-N7 VanDerWaalsContact C-N 3.29Å; E5-N7 PolarHBondContact O-N 3.01Å
6D53.1Low71.7Confident112 Ų11299.6 Ų99.660%0.59951%0.512SS*.  trans-57.5103.6159.8-82.2-22.7000106H4 V8H4-D6 PolarHBondContact O-N 2.89Å; D6-V8 HydrophobicContact CB-CG2 4.43Å; D6-V8 WeakPolarHBondContact O-CG2 3.44Å; D6-V8 PolarHBondContact O-N 3.17Å
7N63.3Low73.1Confident125 Ų12594.8 Ų94.867%0.66849%0.487SS*.  trans-73.475.5-172.9-152-10.6000108.7E5 S9E5-N7 VanDerWaalsContact C-N 3.29Å; E5-N7 PolarHBondContact O-N 3.01Å; N7-S9 PolarHBondContact O-N 3.41Å; N7-S9 VanDerWaalsContact O-N 3.16Å
8V80.4Confident74.3Confident18 Ų1897.8 Ų97.811%0.10950%0.499CS..PPolyproline II helixtrans-64.4118.5-173.2172.70000108.3D6 R31 D35D6-V8 HydrophobicContact CB-CG2 4.43Å; D6-V8 WeakPolarHBondContact O-CG2 3.44Å; D6-V8 PolarHBondContact O-N 3.17Å; V8-R31 PolarHBondContact O-NH1 3.39Å; V8-D35 HydrophobicContact CB-CB 3.96Å; V8-D35 HydrophobicContact CG1-CB 3.95Å; V8-D35 HydrophobicContact CG2-CB 3.64Å; V8-D35 VanDerWaalsContact CG2-CG 3.43Å; V8-D35 WeakPolarHBondContact CG2-OD1 3.35Å
9S87.4Confident75.3Confident87 Ų8796.2 Ų96.261%0.60850%0.501SS*.PPolyproline II helixtrans-85.2122.1178.7-170.30000110.1N7N7-S9 PolarHBondContact O-N 3.41Å; N7-S9 VanDerWaalsContact O-N 3.16Å
10I93.3Very high76.3Confident5 Ų592 Ų923%0.02648%0.48CS..PPolyproline II helixtrans-80.8123.2167.9-59.3170.4000107.2E12 F13 F30 R31 H34 E410I10-E12 PolarHBondContact O-N 2.71Å; I10-F13 HydrophobicContact CB-CB 3.7Å; I10-F13 HydrophobicContact CB-CD2 4.42Å; I10-F13 HydrophobicContact CB-CG 4.16Å; I10-F13 HydrophobicContact CD1-CB 4.5Å; I10-F13 HydrophobicContact CD1-CD2 3.74Å; I10-F13 HydrophobicContact CD1-CE2 4.04Å; I10-F13 HydrophobicContact CD1-CG 4.03Å; I10-F13 HydrophobicContact CG2-CB 3.7Å; I10-F13 HydrophobicContact CG2-CD2 4.17Å; I10-F13 HydrophobicContact CG2-CG 4.25Å; I10-F30 HydrophobicContact CD1-CB 3.87Å; I10-R31 HydrophobicContact CD1-CG 4.24Å; I10-H34 HydrophobicContact CD1-CB 4.03Å; I10-H34 HydrophobicContact CG1-CB 3.69Å; I10-E410 WeakPolarHBondContact CG2-O 3.34Å
11P92.2Very high77.2Confident95 Ų9591.9 Ų91.962%0.61748%0.484SS*.THydrogen-bonded Turntrans-55-46.7-166.8-28.734.8000115.4
12E94.8Very high79.9Confident65 Ų6585.3 Ų85.330%0.30445%0.454SS..THydrogen-bonded Turntrans-117.121.7-172.1-64.1-166.5-143.100112.9I10 N14 N15 R408 E410 E411I10-E12 PolarHBondContact O-N 2.71Å; E12-N14 PolarHBondContact O-N 2.7Å; E12-N14 VanDerWaalsContact O-N 3.15Å; E12-N15 VanDerWaalsContact O-CB 3.29Å; E12-N15 WeakPolarHBondContact O-CB 3.35Å; E12-N15 PolarHBondContact O-N 3.49Å; E12-N15 PolarHBondContact OE2-ND2 2.64Å; E12-R408 VanDerWaalsContact CD-NH2 3.34Å; E12-R408 IonicContact OE1-CZ 3.83Å; E12-R408 IonicContact OE1-NH1 2.71Å; E12-R408 PolarHBondContact OE1-NH1 3.21Å; E12-R408 IonicContact OE1-NH2 3.01Å; E12-R408 PolarHBondContact OE1-NH2 3.5Å; E12-R408 IonicContact OE2-CZ 3.33Å; E12-R408 IonicContact OE2-NH1 2.62Å; E12-R408 IonicContact OE2-NH2 3.23Å; E12-R408 PolarHBondContact OE2-NH2 3.04Å; E12-E410 WeakPolarHBondContact CB-O 3.29Å; E12-E410 PolarHBondContact N-O 2.99Å; E12-E411 HydrophobicContact CB-CB 4.49Å; E12-E411 HydrophobicContact CB-CG 3.76Å
13F95.2Very high82.9Confident6 Ų677 Ų773%0.02642%0.415CS..Hα-helixtrans-60.3-29.7-173.5-166.8-127.1000114.7I10 N15 L16 L17 E27 F30 E411I10-F13 HydrophobicContact CB-CB 3.7Å; I10-F13 HydrophobicContact CB-CD2 4.42Å; I10-F13 HydrophobicContact CB-CG 4.16Å; I10-F13 HydrophobicContact CD1-CB 4.5Å; I10-F13 HydrophobicContact CD1-CD2 3.74Å; I10-F13 HydrophobicContact CD1-CE2 4.04Å; I10-F13 HydrophobicContact CD1-CG 4.03Å; I10-F13 HydrophobicContact CG2-CB 3.7Å; I10-F13 HydrophobicContact CG2-CD2 4.17Å; I10-F13 HydrophobicContact CG2-CG 4.25Å; F13-N15 PolarHBondContact O-N 2.67Å; F13-L16 HydrophobicContact CD2-CB 4.5Å; F13-L16 HydrophobicContact CD2-CD2 4.19Å; F13-L16 HydrophobicContact CE2-CD2 3.87Å; F13-L16 WeakPolarHBondContact O-CB 3.29Å; F13-L16 PolarHBondContact O-N 2.73Å; F13-L17 HydrophobicContact CD1-CD1 3.62Å; F13-L17 HydrophobicContact CD1-CG 3.93Å; F13-L17 HydrophobicContact CE1-CD1 3.53Å; F13-L17 HydrophobicContact CE1-CD2 3.83Å; F13-L17 HydrophobicContact CE1-CG 3.73Å; F13-L17 HydrophobicContact CG-CG 4.45Å; F13-L17 HydrophobicContact CZ-CD1 4.37Å; F13-L17 HydrophobicContact CZ-CD2 3.84Å; F13-L17 HydrophobicContact CZ-CG 4.1Å; F13-L17 PolarHBondContact O-N 2.79Å; F13-E27 HydrophobicContact CE1-CB 4.04Å; F13-E27 HydrophobicContact CE1-CG 3.7Å; F13-E27 HydrophobicContact CZ-CB 4.39Å; F13-E27 HydrophobicContact CZ-CG 4.41Å; F13-F30 HydrophobicContact CE2-CB 3.64Å; F13-F30 HydrophobicContact CE2-CD1 4.01Å; F13-F30 AromaticContact CE2-CD2 3.92Å; F13-F30 HydrophobicContact CE2-CD2 3.92Å; F13-F30 AromaticContact CE2-CG 3.59Å; F13-F30 HydrophobicContact CE2-CG 3.59Å; F13-F30 HydrophobicContact CZ-CB 3.67Å; F13-F30 AromaticContact CZ-CD2 3.77Å; F13-F30 HydrophobicContact CZ-CD2 3.77Å; F13-F30 AromaticContact CZ-CG 3.79Å; F13-F30 HydrophobicContact CZ-CG 3.79Å; F13-E411 WeakPolarHBondContact CD2-O 3.47Å
14N94Very high85.4Confident109 Ų10973.8 Ų73.858%0.58340%0.399SS*.Hα-helixtrans-59.6-29.5175.8-73.6-29.7000112.1E12 L16 L17 Q18E12-N14 PolarHBondContact O-N 2.7Å; E12-N14 VanDerWaalsContact O-N 3.15Å; N14-L16 VanDerWaalsContact C-N 3.34Å; N14-L17 PolarHBondContact O-N 2.87Å; N14-Q18 VanDerWaalsContact O-CB 3.31Å; N14-Q18 WeakPolarHBondContact O-CB 3.03Å; N14-Q18 WeakPolarHBondContact O-CG 3.38Å; N14-Q18 PolarHBondContact O-N 3.01Å
15N93.8Very high88Confident68 Ų6874.7 Ų74.736%0.36440%0.396SS..Hα-helixtrans-64.5-41.9176.2-63.7-15.6000110.7E12 F13 A19E12-N15 VanDerWaalsContact O-CB 3.29Å; E12-N15 WeakPolarHBondContact O-CB 3.35Å; E12-N15 PolarHBondContact O-N 3.49Å; E12-N15 PolarHBondContact OE2-ND2 2.64Å; F13-N15 PolarHBondContact O-N 2.67Å; N15-A19 WeakPolarHBondContact O-CB 3.2Å; N15-A19 PolarHBondContact O-N 3.39Å; N15-A19 VanDerWaalsContact O-N 3.13Å
16L94.4Very high90.3Very high5 Ų568.6 Ų68.63%0.02637%0.366CS..Hα-helixtrans-66.3-47.6176.1-18061.1000111.4F13 N14 Q18 A19 D20 L23 F30 A404 R407 E411F13-L16 HydrophobicContact CD2-CB 4.5Å; F13-L16 HydrophobicContact CD2-CD2 4.19Å; F13-L16 HydrophobicContact CE2-CD2 3.87Å; F13-L16 WeakPolarHBondContact O-CB 3.29Å; F13-L16 PolarHBondContact O-N 2.73Å; N14-L16 VanDerWaalsContact C-N 3.34Å; L16-Q18 VanDerWaalsContact C-N 3.3Å; L16-Q18 PolarHBondContact O-N 3.08Å; L16-A19 PolarHBondContact O-N 3.11Å; L16-D20 PolarHBondContact O-N 3.36Å; L16-L23 HydrophobicContact CD1-CD1 3.72Å; L16-L23 HydrophobicContact CD2-CD1 4.01Å; L16-L23 HydrophobicContact CG-CD1 3.7Å; L16-F30 HydrophobicContact CD2-CE1 4.05Å; L16-F30 HydrophobicContact CD2-CZ 4.19Å; L16-A404 HydrophobicContact CD1-CB 3.89Å; L16-A404 HydrophobicContact CD2-CB 3.74Å; L16-A404 HydrophobicContact CG-CB 4.48Å; L16-R407 HydrophobicContact CD1-CG 4.03Å; L16-E411 WeakPolarHBondContact CB-O 3.42Å; L16-E411 WeakPolarHBondContact CD2-O 3.25Å
17L95Very high92.3Very high18 Ų1864.5 Ų64.59%0.09434%0.344CS..Hα-helixtrans-66.2-30.2-179.9-65.6-179.2000113.5F13 N14 D20 P21 L23 K24F13-L17 HydrophobicContact CD1-CD1 3.62Å; F13-L17 HydrophobicContact CD1-CG 3.93Å; F13-L17 HydrophobicContact CE1-CD1 3.53Å; F13-L17 HydrophobicContact CE1-CD2 3.83Å; F13-L17 HydrophobicContact CE1-CG 3.73Å; F13-L17 HydrophobicContact CG-CG 4.45Å; F13-L17 HydrophobicContact CZ-CD1 4.37Å; F13-L17 HydrophobicContact CZ-CD2 3.84Å; F13-L17 HydrophobicContact CZ-CG 4.1Å; F13-L17 PolarHBondContact O-N 2.79Å; N14-L17 PolarHBondContact O-N 2.87Å; L17-D20 CarbonylContact O-C 3.55Å; L17-D20 VanDerWaalsContact O-C 3.25Å; L17-P21 VanDerWaalsContact O-CA 3.25Å; L17-P21 WeakPolarHBondContact O-CA 3.39Å; L17-P21 VanDerWaalsContact O-N 3.13Å; L17-L23 HydrophobicContact CD2-CB 3.99Å; L17-K24 HydrophobicContact CD1-CD 3.87Å; L17-K24 HydrophobicContact CD2-CB 4.29Å; L17-K24 HydrophobicContact CD2-CD 4.45Å
18Q93.8Very high93.8Very high149 Ų14963.8 Ų63.870%0.69634%0.34SS*.Hα-helixtrans-71.6-39.2172.9-76.41741500111.7N14 L16N14-Q18 VanDerWaalsContact O-CB 3.31Å; N14-Q18 WeakPolarHBondContact O-CB 3.03Å; N14-Q18 WeakPolarHBondContact O-CG 3.38Å; N14-Q18 PolarHBondContact O-N 3.01Å; L16-Q18 VanDerWaalsContact C-N 3.3Å; L16-Q18 PolarHBondContact O-N 3.08Å
19A93.2Very high94.5Very high66 Ų6664.6 Ų64.655%0.54534%0.344SS..Hα-helixtrans-69.4-35176.400000112N15 L16N15-A19 WeakPolarHBondContact O-CB 3.2Å; N15-A19 PolarHBondContact O-N 3.39Å; N15-A19 VanDerWaalsContact O-N 3.13Å; L16-A19 PolarHBondContact O-N 3.11Å
20D95.8Very high95Very high13 Ų1360.9 Ų60.97%0.0732%0.317CS..  trans-143.393.9176.2-179.214.8000112.7L16 L17 N22 L23 Y362 R453L16-D20 PolarHBondContact O-N 3.36Å; L17-D20 CarbonylContact O-C 3.55Å; L17-D20 VanDerWaalsContact O-C 3.25Å; D20-N22 PolarHBondContact O-N 3.23Å; D20-N22 VanDerWaalsContact O-N 3.17Å; D20-N22 WeakPolarHBondContact OD1-CB 3.48Å; D20-N22 PolarHBondContact OD1-N 3.33Å; D20-N22 VanDerWaalsContact OD1-N 3.17Å; D20-N22 PolarHBondContact OD1-ND2 2.79Å; D20-N22 VanDerWaalsContact OD1-ND2 3.12Å; D20-L23 HydrophobicContact CB-CD1 3.95Å; D20-L23 HydrophobicContact CB-CG 4.25Å; D20-L23 PolarHBondContact O-N 3.3Å; D20-L23 VanDerWaalsContact OD2-CG 3.32Å; D20-L23 WeakPolarHBondContact OD2-CG 3.43Å; D20-Y362 WeakPolarHBondContact OD2-CE2 3.32Å; D20-Y362 VanDerWaalsContact OD2-CZ 3.31Å; D20-Y362 PolarHBondContact OD2-OH 2.84Å; D20-R453 IonicContact OD2-CZ 2.65Å; D20-R453 IonicContact OD2-NH2 3.42Å; D20-R453 PolarHBondContact OD2-NH2 3.25Å
21P95.9Very high95.1Very high89 Ų8963 Ų6358%0.57832%0.324SS*.G310 helixtrans-62.8-20.6-179.4-26.336000114.9L17 L23 K24L17-P21 VanDerWaalsContact O-CA 3.25Å; L17-P21 WeakPolarHBondContact O-CA 3.39Å; L17-P21 VanDerWaalsContact O-N 3.13Å; P21-L23 PolarHBondContact O-N 2.98Å; P21-K24 VanDerWaalsContact O-CB 3.27Å; P21-K24 WeakPolarHBondContact O-CB 3.46Å; P21-K24 PolarHBondContact O-N 3.37Å; P21-K24 VanDerWaalsContact O-N 3.16Å
22N95.3Very high95.2Very high106 Ų10662.9 Ų62.957%0.56731%0.311SS*.G310 helixtrans-67.4-23.8-179-59.6-60.6000112.1D20 K24 Y362D20-N22 PolarHBondContact O-N 3.23Å; D20-N22 VanDerWaalsContact O-N 3.17Å; D20-N22 WeakPolarHBondContact OD1-CB 3.48Å; D20-N22 PolarHBondContact OD1-N 3.33Å; D20-N22 VanDerWaalsContact OD1-N 3.17Å; D20-N22 PolarHBondContact OD1-ND2 2.79Å; D20-N22 VanDerWaalsContact OD1-ND2 3.12Å; N22-K24 PolarHBondContact O-N 3.42Å; N22-Y362 HydrophobicContact CB-CD2 4.31Å; N22-Y362 HydrophobicContact CB-CE2 4.04Å
23L96.3Very high95.3Very high0 Ų060 Ų600%030%0.298CS..G310 helixtrans-67.7-15.6176.4-65.3172.6000113.2L16 L17 D20 P21 R25 Y26 E27 F30 Y362 F366 P403L16-L23 HydrophobicContact CD1-CD1 3.72Å; L16-L23 HydrophobicContact CD2-CD1 4.01Å; L16-L23 HydrophobicContact CG-CD1 3.7Å; L17-L23 HydrophobicContact CD2-CB 3.99Å; D20-L23 HydrophobicContact CB-CD1 3.95Å; D20-L23 HydrophobicContact CB-CG 4.25Å; D20-L23 PolarHBondContact O-N 3.3Å; D20-L23 VanDerWaalsContact OD2-CG 3.32Å; D20-L23 WeakPolarHBondContact OD2-CG 3.43Å; P21-L23 PolarHBondContact O-N 2.98Å; L23-R25 PolarHBondContact O-N 3.26Å; L23-R25 VanDerWaalsContact O-N 3.16Å; L23-Y26 CarbonylContact O-C 3.54Å; L23-Y26 PolarHBondContact O-N 2.9Å; L23-E27 PolarHBondContact O-N 3.32Å; L23-F30 HydrophobicContact CB-CE2 4.12Å; L23-F30 HydrophobicContact CD1-CZ 4.34Å; L23-F30 HydrophobicContact CD2-CE2 3.86Å; L23-F30 HydrophobicContact CD2-CZ 3.96Å; L23-F30 HydrophobicContact CG-CE2 4.4Å; L23-Y362 HydrophobicContact CD2-CD2 3.65Å; L23-Y362 HydrophobicContact CD2-CE2 3.49Å; L23-Y362 VanDerWaalsContact CD2-CE2 3.49Å; L23-Y362 HydrophobicContact CG-CD2 4.42Å; L23-Y362 HydrophobicContact CG-CE2 3.94Å; L23-F366 HydrophobicContact CD2-CE2 3.71Å; L23-F366 HydrophobicContact CD2-CZ 3.6Å; L23-P403 HydrophobicContact CD2-CB 3.86Å; L23-P403 HydrophobicContact CD2-CG 4.5Å
24K96.1Very high95.3Very high115 Ų11560.8 Ų60.850%0.530%0.302SS..G310 helixtrans-56.9-33.8178.6-173.863.4175.3177.90112.3L17 P21 N22 Y26 E27L17-K24 HydrophobicContact CD1-CD 3.87Å; L17-K24 HydrophobicContact CD2-CB 4.29Å; L17-K24 HydrophobicContact CD2-CD 4.45Å; P21-K24 VanDerWaalsContact O-CB 3.27Å; P21-K24 WeakPolarHBondContact O-CB 3.46Å; P21-K24 PolarHBondContact O-N 3.37Å; P21-K24 VanDerWaalsContact O-N 3.16Å; N22-K24 PolarHBondContact O-N 3.42Å; K24-Y26 PolarHBondContact O-N 2.82Å; K24-E27 WeakPolarHBondContact CD-OE2 3.4Å; K24-E27 WeakPolarHBondContact CE-OE2 3.35Å; K24-E27 IonicContact NZ-OE1 3.54Å; K24-E27 IonicContact NZ-OE2 2.62Å; K24-E27 PolarHBondContact NZ-OE2 2.95Å; K24-E27 WeakPolarHBondContact O-CB 3.24Å; K24-E27 PolarHBondContact O-N 2.79Å
25R96.5Very high95.5Very high175 Ų17556.5 Ų56.566%0.6628%0.279SS*.G310 helixtrans-61.3-28.2176.4173.5175.7173.9-170.3-8113.1L23 N363L23-R25 PolarHBondContact O-N 3.26Å; L23-R25 VanDerWaalsContact O-N 3.16Å; R25-N363 PolarHBondContact NH1-ND2 2.9Å; R25-N363 PolarHBondContact NH1-OD1 3.16Å; R25-N363 PolarHBondContact NH2-OD1 3.42Å
26Y96.3Very high95.6Very high14 Ų1456.4 Ų56.46%0.05528%0.277CS..G310 helixtrans-107.716-175-51.9-80000112.1L23 K24 N28 D29 F30 Y362 N363 F366L23-Y26 CarbonylContact O-C 3.54Å; L23-Y26 PolarHBondContact O-N 2.9Å; K24-Y26 PolarHBondContact O-N 2.82Å; Y26-N28 PolarHBondContact O-N 2.71Å; Y26-D29 WeakPolarHBondContact O-CB 3.46Å; Y26-D29 PolarHBondContact O-N 2.85Å; Y26-F30 VanDerWaalsContact O-CD2 3.28Å; Y26-F30 WeakPolarHBondContact O-CD2 3.19Å; Y26-F30 PolarHBondContact O-N 2.8Å; Y26-F30 VanDerWaalsContact O-N 3.17Å; Y26-Y362 HydrophobicContact CD2-CD2 4.5Å; Y26-Y362 HydrophobicContact CE2-CD2 4.21Å; Y26-Y362 HydrophobicContact CE2-CG 4.23Å; Y26-Y362 WeakPolarHBondContact OH-CB 3.22Å; Y26-N363 VanDerWaalsContact OH-CG 3.27Å; Y26-N363 PolarHBondContact OH-N 2.86Å; Y26-N363 VanDerWaalsContact OH-N 3.14Å; Y26-N363 PolarHBondContact OH-OD1 3.04Å; Y26-F366 HydrophobicContact CD1-CB 3.31Å; Y26-F366 HydrophobicContact CD1-CD1 4.46Å; Y26-F366 AromaticContact CD1-CD2 3.86Å; Y26-F366 HydrophobicContact CD1-CD2 3.86Å; Y26-F366 AromaticContact CD1-CG 3.65Å; Y26-F366 HydrophobicContact CD1-CG 3.65Å; Y26-F366 AromaticContact CD2-CD2 3.73Å; Y26-F366 HydrophobicContact CD2-CD2 3.73Å; Y26-F366 HydrophobicContact CD2-CE2 4.12Å; Y26-F366 HydrophobicContact CD2-CG 4.25Å; Y26-F366 HydrophobicContact CE1-CB 3.69Å; Y26-F366 HydrophobicContact CE1-CD2 4.16Å; Y26-F366 HydrophobicContact CE1-CG 4.22Å; Y26-F366 HydrophobicContact CE2-CD2 4.07Å; Y26-F366 HydrophobicContact CG-CB 3.87Å; Y26-F366 HydrophobicContact CG-CD1 4.22Å; Y26-F366 AromaticContact CG-CD2 3.61Å; Y26-F366 HydrophobicContact CG-CD2 3.61Å; Y26-F366 HydrophobicContact CG-CE2 4.27Å; Y26-F366 AromaticContact CG-CG 3.64Å; Y26-F366 HydrophobicContact CG-CG 3.64Å
27E95.5Very high95.7Very high27 Ų2756.5 Ų56.513%0.12628%0.277CS..Hα-helixtrans-54-36.7-179.6169.8167.6-157.600112.7F13 L23 K24 D29 F30 R31F13-E27 HydrophobicContact CE1-CB 4.04Å; F13-E27 HydrophobicContact CE1-CG 3.7Å; F13-E27 HydrophobicContact CZ-CB 4.39Å; F13-E27 HydrophobicContact CZ-CG 4.41Å; L23-E27 PolarHBondContact O-N 3.32Å; K24-E27 WeakPolarHBondContact CD-OE2 3.4Å; K24-E27 WeakPolarHBondContact CE-OE2 3.35Å; K24-E27 IonicContact NZ-OE1 3.54Å; K24-E27 IonicContact NZ-OE2 2.62Å; K24-E27 PolarHBondContact NZ-OE2 2.95Å; K24-E27 WeakPolarHBondContact O-CB 3.24Å; K24-E27 PolarHBondContact O-N 2.79Å; E27-D29 PolarHBondContact O-N 2.86Å; E27-F30 PolarHBondContact O-N 3.14Å; E27-R31 HydrophobicContact CG-CG 4.27Å; E27-R31 WeakPolarHBondContact O-CG 3.2Å; E27-R31 PolarHBondContact O-N 3.25Å; E27-R31 IonicContact OE1-CZ 3.28Å; E27-R31 VanDerWaalsContact OE1-CZ 3.28Å; E27-R31 IonicContact OE1-NE 3.05Å; E27-R31 PolarHBondContact OE1-NE 3.4Å; E27-R31 IonicContact OE1-NH2 2.77Å; E27-R31 PolarHBondContact OE1-NH2 3.19Å
28N94.8Very high95.8Very high110 Ų11060.4 Ų60.459%0.58829%0.291SS*.Hα-helixtrans-64.6-39.5177.9-69.8-1.6000111.8Y26 R31 R32Y26-N28 PolarHBondContact O-N 2.71Å; N28-R31 PolarHBondContact O-N 3.08Å; N28-R32 WeakPolarHBondContact O-CB 3.38Å; N28-R32 PolarHBondContact O-N 3.37Å
29D95.7Very high95.9Very high34 Ų3458.2 Ų58.218%0.18228%0.279CS..Hα-helixtrans-63-45174.5-65.6-71.7000111.2Y26 E27 R32 R33 F366Y26-D29 WeakPolarHBondContact O-CB 3.46Å; Y26-D29 PolarHBondContact O-N 2.85Å; E27-D29 PolarHBondContact O-N 2.86Å; D29-R32 PolarHBondContact O-N 2.88Å; D29-R32 IonicContact OD1-CZ 3.9Å; D29-R32 IonicContact OD1-NH2 2.68Å; D29-R32 PolarHBondContact OD1-NH2 3.27Å; D29-R33 WeakPolarHBondContact O-CB 3.22Å; D29-R33 VanDerWaalsContact O-CD 3.3Å; D29-R33 WeakPolarHBondContact O-CD 3.34Å; D29-R33 WeakPolarHBondContact O-CG 3.31Å; D29-R33 PolarHBondContact O-N 2.83Å; D29-F366 HydrophobicContact CB-CD1 4.38Å
30F96.5Very high96.1Very high9 Ų956.6 Ų56.64%0.03926%0.26CS..Hα-helixtrans-60.4-48.5176-77.9-74.9000112.4I10 F13 L16 L23 Y26 E27 R32 R33 H34 F366 A404 G412I10-F30 HydrophobicContact CD1-CB 3.87Å; F13-F30 HydrophobicContact CE2-CB 3.64Å; F13-F30 HydrophobicContact CE2-CD1 4.01Å; F13-F30 AromaticContact CE2-CD2 3.92Å; F13-F30 HydrophobicContact CE2-CD2 3.92Å; F13-F30 AromaticContact CE2-CG 3.59Å; F13-F30 HydrophobicContact CE2-CG 3.59Å; F13-F30 HydrophobicContact CZ-CB 3.67Å; F13-F30 AromaticContact CZ-CD2 3.77Å; F13-F30 HydrophobicContact CZ-CD2 3.77Å; F13-F30 AromaticContact CZ-CG 3.79Å; F13-F30 HydrophobicContact CZ-CG 3.79Å; L16-F30 HydrophobicContact CD2-CE1 4.05Å; L16-F30 HydrophobicContact CD2-CZ 4.19Å; L23-F30 HydrophobicContact CB-CE2 4.12Å; L23-F30 HydrophobicContact CD1-CZ 4.34Å; L23-F30 HydrophobicContact CD2-CE2 3.86Å; L23-F30 HydrophobicContact CD2-CZ 3.96Å; L23-F30 HydrophobicContact CG-CE2 4.4Å; Y26-F30 VanDerWaalsContact O-CD2 3.28Å; Y26-F30 WeakPolarHBondContact O-CD2 3.19Å; Y26-F30 PolarHBondContact O-N 2.8Å; Y26-F30 VanDerWaalsContact O-N 3.17Å; E27-F30 PolarHBondContact O-N 3.14Å; F30-R32 VanDerWaalsContact C-N 3.34Å; F30-R32 PolarHBondContact O-N 3.18Å; F30-R33 PolarHBondContact O-N 3.43Å; F30-H34 WeakPolarHBondContact O-CB 3.14Å; F30-H34 PolarHBondContact O-N 2.93Å; F30-F366 HydrophobicContact CD2-CE1 4.31Å; F30-F366 HydrophobicContact CE1-CE1 4.26Å; F30-F366 HydrophobicContact CE2-CD1 4.47Å; F30-F366 AromaticContact CE2-CE1 3.5Å; F30-F366 HydrophobicContact CE2-CE1 3.5Å; F30-F366 AromaticContact CE2-CZ 3.67Å; F30-F366 HydrophobicContact CE2-CZ 3.67Å; F30-F366 AromaticContact CZ-CE1 3.49Å; F30-F366 HydrophobicContact CZ-CE1 3.49Å; F30-F366 VanDerWaalsContact CZ-CE1 3.49Å; F30-F366 AromaticContact CZ-CZ 3.54Å; F30-F366 HydrophobicContact CZ-CZ 3.54Å; F30-A404 HydrophobicContact CE1-CB 4.05Å; F30-A404 HydrophobicContact CZ-CB 4.21Å; F30-G412 WeakPolarHBondContact CD1-O 3.36Å; F30-G412 VanDerWaalsContact CE1-O 3.26Å; F30-G412 WeakPolarHBondContact CE1-O 3.46Å
31R95.4Very high96.1Very high50 Ų5056.8 Ų56.819%0.18926%0.262CS..Hα-helixtrans-62.2-43.4-179.9-73179.5-177.8-85.61.4111.5V8 I10 E27 N28 H34 D35V8-R31 PolarHBondContact O-NH1 3.39Å; I10-R31 HydrophobicContact CD1-CG 4.24Å; E27-R31 HydrophobicContact CG-CG 4.27Å; E27-R31 WeakPolarHBondContact O-CG 3.2Å; E27-R31 PolarHBondContact O-N 3.25Å; E27-R31 IonicContact OE1-CZ 3.28Å; E27-R31 VanDerWaalsContact OE1-CZ 3.28Å; E27-R31 IonicContact OE1-NE 3.05Å; E27-R31 PolarHBondContact OE1-NE 3.4Å; E27-R31 IonicContact OE1-NH2 2.77Å; E27-R31 PolarHBondContact OE1-NH2 3.19Å; N28-R31 PolarHBondContact O-N 3.08Å; R31-H34 PolarHBondContact O-N 3.46Å; R31-D35 WeakPolarHBondContact O-CB 3.22Å; R31-D35 PolarHBondContact O-N 2.7Å
32R95.6Very high96.1Very high92 Ų9255.6 Ų55.635%0.34725%0.25SS..Hα-helixtrans-62.8-47.4177.8-170.6177.745.257.2-2.1111.4N28 D29 F30 D35 M36 E372N28-R32 WeakPolarHBondContact O-CB 3.38Å; N28-R32 PolarHBondContact O-N 3.37Å; D29-R32 PolarHBondContact O-N 2.88Å; D29-R32 IonicContact OD1-CZ 3.9Å; D29-R32 IonicContact OD1-NH2 2.68Å; D29-R32 PolarHBondContact OD1-NH2 3.27Å; F30-R32 VanDerWaalsContact C-N 3.34Å; F30-R32 PolarHBondContact O-N 3.18Å; R32-D35 PolarHBondContact O-N 3.2Å; R32-M36 WeakPolarHBondContact O-CG 3.45Å; R32-M36 PolarHBondContact O-N 3.24Å; R32-E372 IonicContact CZ-OE1 2.65Å; R32-E372 IonicContact CZ-OE2 3.61Å; R32-E372 VanDerWaalsContact CZ-OE2 3.3Å; R32-E372 IonicContact NH1-OE1 3.98Å; R32-E372 PolarHBondContact NH1-OE1 2.87Å; R32-E372 IonicContact NH1-OE2 3.19Å; R32-E372 PolarHBondContact NH1-OE2 3.26Å; R32-E372 IonicContact NH2-OE1 3.3Å; R32-E372 PolarHBondContact NH2-OE1 3.41Å; R32-E372 IonicContact NH2-OE2 2.56Å
33R95.8Very high96.2Very high6 Ų654.5 Ų54.52%0.02324%0.244CC..Hα-helixtrans-62.2-43.1176.9-69.5162.6-174.6177.40.8112.5D29 F30 D35 M36 L37 E372 M379D29-R33 WeakPolarHBondContact O-CB 3.22Å; D29-R33 VanDerWaalsContact O-CD 3.3Å; D29-R33 WeakPolarHBondContact O-CD 3.34Å; D29-R33 WeakPolarHBondContact O-CG 3.31Å; D29-R33 PolarHBondContact O-N 2.83Å; F30-R33 PolarHBondContact O-N 3.43Å; R33-D35 VanDerWaalsContact C-N 3.35Å; R33-D35 PolarHBondContact O-N 2.89Å; R33-M36 WeakPolarHBondContact O-CB 3.44Å; R33-M36 PolarHBondContact O-N 2.78Å; R33-L37 PolarHBondContact O-N 2.83Å; R33-E372 IonicContact NE-OE1 2.91Å; R33-E372 PolarHBondContact NE-OE1 2.81Å; R33-E372 IonicContact NH2-OE1 3.29Å; R33-M379 HydrophobicContact CB-SD 4.39Å
34H96.5Very high96.1Very high22 Ų2254.5 Ų54.510%0.10224%0.244CC..Hα-helixtrans-66.4-36.5176.4-174.8-68.7000112.1I10 F30 R31 L37 R38I10-H34 HydrophobicContact CD1-CB 4.03Å; I10-H34 HydrophobicContact CG1-CB 3.69Å; F30-H34 WeakPolarHBondContact O-CB 3.14Å; F30-H34 PolarHBondContact O-N 2.93Å; R31-H34 PolarHBondContact O-N 3.46Å; H34-L37 PolarHBondContact O-N 2.8Å; H34-R38 WeakPolarHBondContact O-CB 3.33Å; H34-R38 PolarHBondContact O-N 2.97Å
35D96.6Very high96.1Very high19 Ų1954.1 Ų54.110%0.10224%0.244CC..Hα-helixtrans-64.9-40173.6-174.851.9000112.1V8 R31 R32 R33 L37 R38 K39V8-D35 HydrophobicContact CB-CB 3.96Å; V8-D35 HydrophobicContact CG1-CB 3.95Å; V8-D35 HydrophobicContact CG2-CB 3.64Å; V8-D35 VanDerWaalsContact CG2-CG 3.43Å; V8-D35 WeakPolarHBondContact CG2-OD1 3.35Å; R31-D35 WeakPolarHBondContact O-CB 3.22Å; R31-D35 PolarHBondContact O-N 2.7Å; R32-D35 PolarHBondContact O-N 3.2Å; R33-D35 VanDerWaalsContact C-N 3.35Å; R33-D35 PolarHBondContact O-N 2.89Å; D35-L37 PolarHBondContact O-N 2.83Å; D35-R38 PolarHBondContact O-N 3.07Å; D35-R38 IonicContact OD1-CZ 3.97Å; D35-R38 IonicContact OD1-NE 3.38Å; D35-R38 PolarHBondContact OD1-NE 2.82Å; D35-R38 IonicContact OD1-NH2 3.32Å; D35-R38 PolarHBondContact OD1-NH2 3.13Å; D35-K39 WeakPolarHBondContact O-CB 3.42Å; D35-K39 WeakPolarHBondContact O-CG 3.21Å; D35-K39 PolarHBondContact O-N 3.44Å; D35-K39 WeakPolarHBondContact OD2-CD 3.18Å; D35-K39 WeakPolarHBondContact OD2-CE 3.36Å; D35-K39 IonicContact OD2-NZ 3.61Å; D35-K39 PolarHBondContact OD2-NZ 2.91Å
36M96.9Very high96Very high65 Ų6553.4 Ų53.432%0.3225%0.248SC..Hα-helixtrans-58.8-46.1173.2-66.3168.774.900111.4R32 R33 K39 Q40 E372 V376R32-M36 WeakPolarHBondContact O-CG 3.45Å; R32-M36 PolarHBondContact O-N 3.24Å; R33-M36 WeakPolarHBondContact O-CB 3.44Å; R33-M36 PolarHBondContact O-N 2.78Å; M36-K39 PolarHBondContact O-N 2.94Å; M36-Q40 WeakPolarHBondContact O-CB 3.13Å; M36-Q40 PolarHBondContact O-N 2.82Å; M36-E372 HydrophobicContact CE-CB 4.12Å; M36-E372 HydrophobicContact SD-CB 4.45Å; M36-V376 HydrophobicContact CB-CG2 3.59Å; M36-V376 HydrophobicContact CE-CG2 3.96Å; M36-V376 HydrophobicContact SD-CG2 4.24Å
37L96.5Very high96Very high7 Ų756 Ų564%0.03727%0.272CS..Hα-helixtrans-57.7-51.9173.7172.170.2000111.5R33 H34 D35 K39 Q40 V41 M379 L380 V409R33-L37 PolarHBondContact O-N 2.83Å; H34-L37 PolarHBondContact O-N 2.8Å; D35-L37 PolarHBondContact O-N 2.83Å; L37-K39 VanDerWaalsContact C-N 3.31Å; L37-K39 PolarHBondContact O-N 2.77Å; L37-Q40 WeakPolarHBondContact O-CB 3.44Å; L37-Q40 PolarHBondContact O-N 2.73Å; L37-Q40 VanDerWaalsContact O-N 3.07Å; L37-V41 HydrophobicContact CD1-CG2 4.11Å; L37-V41 HydrophobicContact CG-CG2 4.41Å; L37-V41 WeakPolarHBondContact O-CG2 2.97Å; L37-V41 PolarHBondContact O-N 3.44Å; L37-M379 HydrophobicContact CB-CE 4.11Å; L37-M379 HydrophobicContact CD1-CB 4.17Å; L37-M379 HydrophobicContact CD2-CB 4.24Å; L37-M379 HydrophobicContact CD2-CE 3.84Å; L37-L380 HydrophobicContact CD1-CB 3.79Å; L37-L380 HydrophobicContact CD1-CD1 3.96Å; L37-L380 HydrophobicContact CD1-CG 4.49Å; L37-V409 HydrophobicContact CD2-CG1 3.19Å
38R96.3Very high96Very high101 Ų10157 Ų5738%0.38128%0.277SS..Hα-helixtrans-57.4-46.1-178.1-178-17068102.5-3.2111.2H34 D35 Q40 V41 L42H34-R38 WeakPolarHBondContact O-CB 3.33Å; H34-R38 PolarHBondContact O-N 2.97Å; D35-R38 PolarHBondContact O-N 3.07Å; D35-R38 IonicContact OD1-CZ 3.97Å; D35-R38 IonicContact OD1-NE 3.38Å; D35-R38 PolarHBondContact OD1-NE 2.82Å; D35-R38 IonicContact OD1-NH2 3.32Å; D35-R38 PolarHBondContact OD1-NH2 3.13Å; R38-Q40 VanDerWaalsContact C-N 3.32Å; R38-Q40 PolarHBondContact O-N 2.85Å; R38-V41 PolarHBondContact O-N 3.48Å; R38-L42 HydrophobicContact CG-CD1 4.2Å; R38-L42 WeakPolarHBondContact O-CG 3.46Å; R38-L42 PolarHBondContact O-N 2.83Å
39K96.4Very high95.9Very high102 Ų10254 Ų5444%0.44327%0.272SS..Hα-helixtrans-59.7-43.9175.3-76.3170.8171.1163.80111.1D35 M36 L37 L42 L43D35-K39 WeakPolarHBondContact O-CB 3.42Å; D35-K39 WeakPolarHBondContact O-CG 3.21Å; D35-K39 PolarHBondContact O-N 3.44Å; D35-K39 WeakPolarHBondContact OD2-CD 3.18Å; D35-K39 WeakPolarHBondContact OD2-CE 3.36Å; D35-K39 IonicContact OD2-NZ 3.61Å; D35-K39 PolarHBondContact OD2-NZ 2.91Å; M36-K39 PolarHBondContact O-N 2.94Å; L37-K39 VanDerWaalsContact C-N 3.31Å; L37-K39 PolarHBondContact O-N 2.77Å; K39-L42 PolarHBondContact O-N 3.04Å; K39-L43 VanDerWaalsContact O-CG 3.29Å; K39-L43 WeakPolarHBondContact O-CG 3.3Å; K39-L43 PolarHBondContact O-N 2.97Å
40Q97.1Very high95.8Very high32 Ų3253 Ų5315%0.1527%0.27CS..Hα-helixtrans-64.1-42.1178.3-171.358.943.900112.4M36 L37 R38 L43 L44 L320 V376 L380M36-Q40 WeakPolarHBondContact O-CB 3.13Å; M36-Q40 PolarHBondContact O-N 2.82Å; L37-Q40 WeakPolarHBondContact O-CB 3.44Å; L37-Q40 PolarHBondContact O-N 2.73Å; L37-Q40 VanDerWaalsContact O-N 3.07Å; R38-Q40 VanDerWaalsContact C-N 3.32Å; R38-Q40 PolarHBondContact O-N 2.85Å; Q40-L43 PolarHBondContact O-N 2.98Å; Q40-L44 VanDerWaalsContact O-CG 3.3Å; Q40-L44 WeakPolarHBondContact O-CG 3.5Å; Q40-L44 PolarHBondContact O-N 3.42Å; Q40-L44 VanDerWaalsContact O-N 3.08Å; Q40-L320 HydrophobicContact CG-CD1 4.4Å; Q40-V376 HydrophobicContact CB-CG1 4.42Å; Q40-L380 HydrophobicContact CG-CD2 3.74Å
41V95.9Very high95.6Very high18 Ų1854 Ų5411%0.10928%0.276CS..Hα-helixtrans-62.7-46.7175.4173.20000110.9L37 R38 L43 L44 E45 L380L37-V41 HydrophobicContact CD1-CG2 4.11Å; L37-V41 HydrophobicContact CG-CG2 4.41Å; L37-V41 WeakPolarHBondContact O-CG2 2.97Å; L37-V41 PolarHBondContact O-N 3.44Å; R38-V41 PolarHBondContact O-N 3.48Å; V41-L43 VanDerWaalsContact C-N 3.33Å; V41-L43 PolarHBondContact O-N 3.37Å; V41-L44 WeakPolarHBondContact O-CB 3.41Å; V41-L44 PolarHBondContact O-N 3.2Å; V41-L44 VanDerWaalsContact O-N 3.11Å; V41-E45 WeakPolarHBondContact O-CG 3.31Å; V41-E45 PolarHBondContact O-N 3.17Å; V41-L380 HydrophobicContact CG2-CD1 3.7Å
42L96.5Very high95.6Very high64 Ų6454.1 Ų54.134%0.33528%0.281SS..Hα-helixtrans-58.6-43.8176.8-74.3168.6000112R38 K39 L44 E45 E46R38-L42 HydrophobicContact CG-CD1 4.2Å; R38-L42 WeakPolarHBondContact O-CG 3.46Å; R38-L42 PolarHBondContact O-N 2.83Å; K39-L42 PolarHBondContact O-N 3.04Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-L44 PolarHBondContact O-N 2.97Å; L42-E45 WeakPolarHBondContact O-CB 3.3Å; L42-E45 PolarHBondContact O-N 2.96Å; L42-E46 WeakPolarHBondContact O-CG 3.16Å; L42-E46 PolarHBondContact O-N 2.75Å
43L96.6Very high95.6Very high82 Ų8255.8 Ų55.843%0.42929%0.293SS..Hα-helixtrans-61.2-38.7176.2-72.7172000111.9K39 Q40 V41 A47 W317K39-L43 VanDerWaalsContact O-CG 3.29Å; K39-L43 WeakPolarHBondContact O-CG 3.3Å; K39-L43 PolarHBondContact O-N 2.97Å; Q40-L43 PolarHBondContact O-N 2.98Å; V41-L43 VanDerWaalsContact C-N 3.33Å; V41-L43 PolarHBondContact O-N 3.37Å; L43-A47 WeakPolarHBondContact O-CB 3.46Å; L43-A47 PolarHBondContact O-N 2.9Å; L43-W317 HydrophobicContact CB-CH2 3.9Å; L43-W317 HydrophobicContact CB-CZ3 4.01Å
44L95.4Very high95.7Very high0 Ų055.6 Ų55.60%029%0.292CS..Hα-helixtrans-68.3-37.3176.2-68.8170.6000112.1Q40 V41 L42 E48 G50 V51 F54 W317 L380Q40-L44 VanDerWaalsContact O-CG 3.3Å; Q40-L44 WeakPolarHBondContact O-CG 3.5Å; Q40-L44 PolarHBondContact O-N 3.42Å; Q40-L44 VanDerWaalsContact O-N 3.08Å; V41-L44 WeakPolarHBondContact O-CB 3.41Å; V41-L44 PolarHBondContact O-N 3.2Å; V41-L44 VanDerWaalsContact O-N 3.11Å; L42-L44 VanDerWaalsContact C-N 3.29Å; L42-L44 PolarHBondContact O-N 2.97Å; L44-E48 HydrophobicContact CD2-CG 4.46Å; L44-E48 WeakPolarHBondContact O-CB 3.25Å; L44-E48 PolarHBondContact O-N 3.27Å; L44-E48 VanDerWaalsContact O-N 3.13Å; L44-G50 PolarHBondContact O-N 2.92Å; L44-V51 HydrophobicContact CB-CG1 4.4Å; L44-V51 HydrophobicContact CD1-CG1 4.14Å; L44-F54 HydrophobicContact CD1-CD1 4.45Å; L44-F54 HydrophobicContact CD2-CB 4.3Å; L44-F54 HydrophobicContact CD2-CD1 3.62Å; L44-F54 HydrophobicContact CD2-CD2 3.67Å; L44-F54 HydrophobicContact CD2-CE1 3.65Å; L44-F54 HydrophobicContact CD2-CE2 3.7Å; L44-F54 HydrophobicContact CD2-CG 3.6Å; L44-F54 HydrophobicContact CD2-CZ 3.67Å; L44-W317 HydrophobicContact CD2-CH2 3.56Å; L44-W317 HydrophobicContact CD2-CZ2 3.63Å; L44-W317 HydrophobicContact CD2-CZ3 4.25Å; L44-W317 HydrophobicContact CG-CH2 4.06Å; L44-L380 HydrophobicContact CD1-CD1 4.18Å; L44-L380 HydrophobicContact CD1-CD2 3.98Å
45E94.6Very high95.8Very high108 Ų10854.6 Ų54.651%0.50529%0.288SS..Hα-helixtrans-62.3-48.8173.4-71.2178.3171.600111.8V41 L42 G49V41-E45 WeakPolarHBondContact O-CG 3.31Å; V41-E45 PolarHBondContact O-N 3.17Å; L42-E45 WeakPolarHBondContact O-CB 3.3Å; L42-E45 PolarHBondContact O-N 2.96Å; E45-G49 PolarHBondContact O-N 3.19Å
46E96.1Very high95.9Very high159 Ų15957 Ų5774%0.74330%0.295SS*.Hα-helixtrans-72.5-43.3-176.5-69.8178.3176.700113.1L42L42-E46 WeakPolarHBondContact O-CG 3.16Å; L42-E46 PolarHBondContact O-N 2.75Å
47A95.6Very high95.9Very high69 Ų6954.2 Ų54.257%0.5728%0.282SS*.Hα-helixtrans-92.4-25.6-170.700000114.3L43 W317L43-A47 WeakPolarHBondContact O-CB 3.46Å; L43-A47 PolarHBondContact O-N 2.9Å; A47-W317 HydrophobicContact CB-CH2 4.48Å; A47-W317 HydrophobicContact CB-CZ2 4.17Å
48E95.6Very high96Very high49 Ų4954.7 Ų54.723%0.22928%0.284CS..Hα-helixtrans-126.44.5-168.2-59-80.1171.100113.1L44 G50 Q53 F54 W317 R321L44-E48 HydrophobicContact CD2-CG 4.46Å; L44-E48 WeakPolarHBondContact O-CB 3.25Å; L44-E48 PolarHBondContact O-N 3.27Å; L44-E48 VanDerWaalsContact O-N 3.13Å; E48-G50 VanDerWaalsContact C-N 3.31Å; E48-Q53 WeakPolarHBondContact O-CB 3.38Å; E48-F54 HydrophobicContact CB-CB 4.11Å; E48-F54 HydrophobicContact CB-CD2 3.85Å; E48-F54 HydrophobicContact CB-CG 4.43Å; E48-F54 HydrophobicContact CG-CD2 3.5Å; E48-F54 HydrophobicContact CG-CE2 3.98Å; E48-F54 HydrophobicContact CG-CG 4.46Å; E48-W317 HydrophobicContact CG-CZ2 3.53Å; E48-W317 PolarHBondContact OE1-NE1 3Å; E48-R321 VanDerWaalsContact CD-NH2 3.27Å; E48-R321 IonicContact OE1-CZ 2.95Å; E48-R321 IonicContact OE1-NH1 3.05Å; E48-R321 IonicContact OE1-NH2 3.85Å; E48-R321 PolarHBondContact OE1-NH2 3.17Å; E48-R321 IonicContact OE2-CZ 3.93Å; E48-R321 IonicContact OE2-NH1 3.28Å; E48-R321 PolarHBondContact OE2-NH1 3.19Å; E48-R321 IonicContact OE2-NH2 2.77Å; E48-R321 PolarHBondContact OE2-NH2 3Å
49G91.8Very high96.1Very high47 Ų4756.4 Ų56.449%0.48529%0.29SS..SBendtrans73.124.2-177.100000113.4E45E45-G49 PolarHBondContact O-N 3.19Å
50G93.7Very high96.1Very high13 Ų1353.2 Ų53.213%0.13428%0.281CS..SBendtrans96.7166.5176.300000114.9L44 E48 D52 Q53 F54L44-G50 PolarHBondContact O-N 2.92Å; E48-G50 VanDerWaalsContact C-N 3.31Å; G50-D52 PolarHBondContact O-N 2.6Å; G50-Q53 PolarHBondContact O-N 2.99Å; G50-F54 PolarHBondContact O-N 3.05Å
51V93.4Very high96.2Very high28 Ų2851.9 Ų51.917%0.1727%0.274CS..Hα-helixtrans-59-31.9-176.8-61.30000113.2L44 T55 I384L44-V51 HydrophobicContact CB-CG1 4.4Å; L44-V51 HydrophobicContact CD1-CG1 4.14Å; V51-T55 WeakPolarHBondContact O-CB 3.35Å; V51-T55 WeakPolarHBondContact O-CG2 3.47Å; V51-T55 PolarHBondContact O-N 3.3Å; V51-T55 PolarHBondContact O-OG1 2.81Å; V51-I384 HydrophobicContact CB-CD1 3.84Å; V51-I384 HydrophobicContact CB-CG1 3.84Å; V51-I384 HydrophobicContact CG1-CD1 3.8Å; V51-I384 HydrophobicContact CG1-CG1 3.88Å; V51-I384 HydrophobicContact CG2-CG1 4.25Å
52D94.2Very high96.3Very high54 Ų5451 Ų5129%0.28927%0.269SS..Hα-helixtrans-67.3-40.5179.9-176.757.1000112.4G50 T55 R56 R328 L388G50-D52 PolarHBondContact O-N 2.6Å; D52-T55 PolarHBondContact O-OG1 3.27Å; D52-R56 VanDerWaalsContact CG-NH1 3.3Å; D52-R56 WeakPolarHBondContact O-CG 3.47Å; D52-R56 IonicContact OD1-CZ 3.1Å; D52-R56 VanDerWaalsContact OD1-CZ 3.23Å; D52-R56 IonicContact OD1-NE 3.53Å; D52-R56 IonicContact OD1-NH1 2.63Å; D52-R56 PolarHBondContact OD1-NH1 3.13Å; D52-R56 IonicContact OD1-NH2 2.73Å; D52-R56 PolarHBondContact OD1-NH2 3.05Å; D52-R56 IonicContact OD2-CZ 2.76Å; D52-R56 VanDerWaalsContact OD2-CZ 3.32Å; D52-R56 IonicContact OD2-NH1 3.76Å; D52-R56 PolarHBondContact OD2-NH1 3.06Å; D52-R56 IonicContact OD2-NH2 3.94Å; D52-R56 PolarHBondContact OD2-NH2 3.43Å; D52-R328 IonicContact OD1-CZ 2.76Å; D52-R328 VanDerWaalsContact OD1-CZ 3.29Å; D52-R328 IonicContact OD1-NH1 3.92Å; D52-R328 PolarHBondContact OD1-NH1 3.03Å; D52-R328 IonicContact OD1-NH2 3.47Å; D52-R328 PolarHBondContact OD1-NH2 3.13Å; D52-L388 HydrophobicContact CB-CD2 4.36Å
53Q96Very high96.4Very high127 Ų12748.5 Ų48.559%0.59326%0.256SS*.Hα-helixtrans-74.1-45.6175.6-66.9-166.93300111.1E48 G50 T55 R56E48-Q53 WeakPolarHBondContact O-CB 3.38Å; G50-Q53 PolarHBondContact O-N 2.99Å; Q53-T55 VanDerWaalsContact C-N 3.31Å; Q53-T55 PolarHBondContact O-N 3.23Å; Q53-R56 PolarHBondContact O-N 3.33Å
54F97.9Very high96.4Very high2 Ų246 Ų461%0.00924%0.242CC..Hα-helixtrans-55.7-45.1-179-174.3-108.1000112.7L44 E48 G50 R56 S57 W317 L320 R321 L324 S325L44-F54 HydrophobicContact CD1-CD1 4.45Å; L44-F54 HydrophobicContact CD2-CB 4.3Å; L44-F54 HydrophobicContact CD2-CD1 3.62Å; L44-F54 HydrophobicContact CD2-CD2 3.67Å; L44-F54 HydrophobicContact CD2-CE1 3.65Å; L44-F54 HydrophobicContact CD2-CE2 3.7Å; L44-F54 HydrophobicContact CD2-CG 3.6Å; L44-F54 HydrophobicContact CD2-CZ 3.67Å; E48-F54 HydrophobicContact CB-CB 4.11Å; E48-F54 HydrophobicContact CB-CD2 3.85Å; E48-F54 HydrophobicContact CB-CG 4.43Å; E48-F54 HydrophobicContact CG-CD2 3.5Å; E48-F54 HydrophobicContact CG-CE2 3.98Å; E48-F54 HydrophobicContact CG-CG 4.46Å; G50-F54 PolarHBondContact O-N 3.05Å; F54-R56 PolarHBondContact O-N 3.25Å; F54-S57 WeakPolarHBondContact O-CB 3.43Å; F54-S57 PolarHBondContact O-N 2.93Å; F54-S57 PolarHBondContact O-OG 3.05Å; F54-W317 AromaticContact CE2-CE2 3.92Å; F54-W317 HydrophobicContact CE2-CZ2 4.26Å; F54-W317 AromaticContact CE2-NE1 3.64Å; F54-L320 HydrophobicContact CE1-CB 4.34Å; F54-L320 HydrophobicContact CZ-CB 4.31Å; F54-R321 HydrophobicContact CD2-CG 4.41Å; F54-R321 VanDerWaalsContact CE1-CA 3.44Å; F54-R321 HydrophobicContact CE1-CB 4.07Å; F54-R321 HydrophobicContact CE2-CB 3.78Å; F54-R321 HydrophobicContact CE2-CG 3.96Å; F54-R321 HydrophobicContact CZ-CB 3.45Å; F54-R321 VanDerWaalsContact CZ-CB 3.45Å; F54-R321 HydrophobicContact CZ-CG 4.04Å; F54-R321 VanDerWaalsContact CZ-N 3.35Å; F54-L324 HydrophobicContact CD1-CD1 4.28Å; F54-L324 HydrophobicContact CE1-CD1 3.95Å; F54-S325 PolarHBondContact O-OG 2.78Å
55T98.3Very high96.5Very high1 Ų151.2 Ų51.21%0.00626%0.262CS..THydrogen-bonded Turntrans-73.8-6.9-179.559.20000114.3V51 D52 Q53 S57 L324 S325 R328 I384V51-T55 WeakPolarHBondContact O-CB 3.35Å; V51-T55 WeakPolarHBondContact O-CG2 3.47Å; V51-T55 PolarHBondContact O-N 3.3Å; V51-T55 PolarHBondContact O-OG1 2.81Å; D52-T55 PolarHBondContact O-OG1 3.27Å; Q53-T55 VanDerWaalsContact C-N 3.31Å; Q53-T55 PolarHBondContact O-N 3.23Å; T55-S57 VanDerWaalsContact C-N 3.35Å; T55-L324 HydrophobicContact CG2-CB 3.88Å; T55-S325 VanDerWaalsContact O-CA 3.26Å; T55-S325 WeakPolarHBondContact O-CA 3.47Å; T55-S325 WeakPolarHBondContact O-CB 3.14Å; T55-S325 PolarHBondContact O-OG 3.46Å; T55-R328 WeakPolarHBondContact O-CB 3.45Å; T55-R328 WeakPolarHBondContact O-CG 3.35Å; T55-R328 PolarHBondContact OG1-NH1 3.48Å; T55-I384 HydrophobicContact CG2-CD1 4.19Å; T55-I384 HydrophobicContact CG2-CG2 3.92Å
56R98.3Very high96.6Very high69 Ų6949 Ų4926%0.2625%0.254SS..THydrogen-bonded Turntrans-97.220.2173-70-175-173.3124.32.4113D52 Q53 F54 Y58 R59 R328 E332D52-R56 VanDerWaalsContact CG-NH1 3.3Å; D52-R56 WeakPolarHBondContact O-CG 3.47Å; D52-R56 IonicContact OD1-CZ 3.1Å; D52-R56 VanDerWaalsContact OD1-CZ 3.23Å; D52-R56 IonicContact OD1-NE 3.53Å; D52-R56 IonicContact OD1-NH1 2.63Å; D52-R56 PolarHBondContact OD1-NH1 3.13Å; D52-R56 IonicContact OD1-NH2 2.73Å; D52-R56 PolarHBondContact OD1-NH2 3.05Å; D52-R56 IonicContact OD2-CZ 2.76Å; D52-R56 VanDerWaalsContact OD2-CZ 3.32Å; D52-R56 IonicContact OD2-NH1 3.76Å; D52-R56 PolarHBondContact OD2-NH1 3.06Å; D52-R56 IonicContact OD2-NH2 3.94Å; D52-R56 PolarHBondContact OD2-NH2 3.43Å; Q53-R56 PolarHBondContact O-N 3.33Å; F54-R56 PolarHBondContact O-N 3.25Å; R56-Y58 HydrophobicContact CB-CE1 4.37Å; R56-Y58 HydrophobicContact CG-CE1 4.31Å; R56-Y58 PolarHBondContact O-N 2.93Å; R56-Y58 VanDerWaalsContact O-N 3.08Å; R56-R59 HydrophobicContact CB-CG 4.41Å; R56-R59 WeakPolarHBondContact O-CB 3.27Å; R56-R59 PolarHBondContact O-N 3.47Å; R56-R328 HydrophobicContact CG-CG 4.39Å; R56-E332 IonicContact NE-OE1 3.24Å; R56-E332 IonicContact NE-OE2 3.88Å; R56-E332 IonicContact NH2-OE1 3.86Å
57S98.2Very high96.6Very high7 Ų748 Ų485%0.04926%0.26CS..G310 helixtrans-61.3-22.6-177.3-66.10000113.3F54 T55 R59 S60 F61 R321 S325F54-S57 WeakPolarHBondContact O-CB 3.43Å; F54-S57 PolarHBondContact O-N 2.93Å; F54-S57 PolarHBondContact O-OG 3.05Å; T55-S57 VanDerWaalsContact C-N 3.35Å; S57-R59 PolarHBondContact O-N 3.12Å; S57-R59 VanDerWaalsContact O-N 3.1Å; S57-S60 PolarHBondContact O-N 2.83Å; S57-S60 PolarHBondContact O-OG 3.36Å; S57-F61 PolarHBondContact O-N 3.2Å; S57-R321 VanDerWaalsContact CB-CD 3.5Å; S57-R321 VanDerWaalsContact CB-CG 3.47Å; S57-R321 VanDerWaalsContact OG-CD 3.22Å; S57-R321 WeakPolarHBondContact OG-CD 3.19Å; S57-R321 WeakPolarHBondContact OG-CG 3.25Å; S57-R321 PolarHBondContact OG-NH1 3.1Å; S57-S325 WeakPolarHBondContact CB-OG 3.15Å; S57-S325 PolarHBondContact N-OG 3.36Å
58Y98.3Very high96.6Very high17 Ų1749 Ų497%0.06726%0.256CS..G310 helixtrans-60.6-13.6170.871.4-101.2000114R56 S60 Q64 R328 W329 E332R56-Y58 HydrophobicContact CB-CE1 4.37Å; R56-Y58 HydrophobicContact CG-CE1 4.31Å; R56-Y58 PolarHBondContact O-N 2.93Å; R56-Y58 VanDerWaalsContact O-N 3.08Å; Y58-S60 VanDerWaalsContact C-N 3.27Å; Y58-Q64 PolarHBondContact O-NE2 3.39Å; Y58-R328 HydrophobicContact CE1-CB 4.26Å; Y58-R328 HydrophobicContact CE1-CG 3.95Å; Y58-W329 HydrophobicContact CD1-CB 4.1Å; Y58-W329 AromaticContact CD2-CE3 3.47Å; Y58-W329 HydrophobicContact CD2-CE3 3.47Å; Y58-W329 VanDerWaalsContact CD2-CE3 3.47Å; Y58-W329 AromaticContact CD2-CZ3 3.89Å; Y58-W329 HydrophobicContact CD2-CZ3 3.89Å; Y58-W329 AromaticContact CE2-CE3 3.8Å; Y58-W329 HydrophobicContact CE2-CE3 3.8Å; Y58-W329 HydrophobicContact CE2-CZ3 4.17Å; Y58-W329 HydrophobicContact CG-CB 4.38Å; Y58-W329 AromaticContact CG-CE3 3.91Å; Y58-W329 HydrophobicContact CG-CE3 3.91Å; Y58-E332 PolarHBondContact OH-OE2 3.33Å
59R97.8Very high96.7Very high137 Ų13748.1 Ų48.152%0.51725%0.253SS..G310 helixtrans-83.5-1.4171.8-60-172.4-178.6-171.40.8113.4R56 S57 Q64 E332R56-R59 HydrophobicContact CB-CG 4.41Å; R56-R59 WeakPolarHBondContact O-CB 3.27Å; R56-R59 PolarHBondContact O-N 3.47Å; S57-R59 PolarHBondContact O-N 3.12Å; S57-R59 VanDerWaalsContact O-N 3.1Å; R59-Q64 VanDerWaalsContact C-CD 3.5Å; R59-Q64 WeakPolarHBondContact O-CG 3.09Å; R59-E332 IonicContact CZ-OE2 3.94Å; R59-E332 IonicContact NH2-OE2 3.53Å; R59-E332 PolarHBondContact NH2-OE2 2.84Å
60S97Very high97Very high35 Ų3546 Ų4625%0.24523%0.231CC..THydrogen-bonded Turntrans-133.2-35.9-178.368.80000112.7S57 Y58 F72 K74S57-S60 PolarHBondContact O-N 2.83Å; S57-S60 PolarHBondContact O-OG 3.36Å; Y58-S60 VanDerWaalsContact C-N 3.27Å; S60-F72 WeakPolarHBondContact O-CE1 3.37Å; S60-K74 VanDerWaalsContact C-CE 3.44Å; S60-K74 VanDerWaalsContact CB-NZ 3.27Å; S60-K74 WeakPolarHBondContact O-CB 3.27Å; S60-K74 VanDerWaalsContact O-CE 3.29Å; S60-K74 WeakPolarHBondContact O-CE 3.33Å; S60-K74 WeakPolarHBondContact OG-CE 3.33Å; S60-K74 PolarHBondContact OG-NZ 2.91Å
61F98.7Very high97.2Very high3 Ų345.4 Ų45.41%0.01323%0.225CC..SBendtrans-80.8161.5172.1-79.2-91.2000112.1S57 Q64 K74 W76 K106 W145 E318 R321S57-F61 PolarHBondContact O-N 3.2Å; F61-Q64 PolarHBondContact O-NE2 3.45Å; F61-K74 WeakPolarHBondContact CA-O 3.44Å; F61-K74 HydrophobicContact CD1-CD 4.44Å; F61-K74 HydrophobicContact CD1-CG 4.01Å; F61-K74 VanDerWaalsContact CD2-CE 3.43Å; F61-K74 HydrophobicContact CE1-CD 4.29Å; F61-K74 HydrophobicContact CE1-CG 4.05Å; F61-K74 HydrophobicContact CE2-CD 4.43Å; F61-K74 HydrophobicContact CG-CG 4.48Å; F61-K74 HydrophobicContact CZ-CD 4.31Å; F61-W76 HydrophobicContact CE1-CB 4Å; F61-K106 HydrophobicContact CZ-CD 4.42Å; F61-K106 HydrophobicContact CZ-CG 4.48Å; F61-W145 HydrophobicContact CB-CD2 3.4Å; F61-W145 VanDerWaalsContact CB-CD2 3.4Å; F61-W145 HydrophobicContact CB-CE3 3.94Å; F61-W145 HydrophobicContact CB-CG 3.66Å; F61-W145 HydrophobicContact CB-CH2 4.28Å; F61-W145 HydrophobicContact CB-CZ2 3.8Å; F61-W145 HydrophobicContact CB-CZ3 4.34Å; F61-W145 AromaticContact CD1-CE2 3.86Å; F61-W145 HydrophobicContact CD1-CZ2 4.1Å; F61-W145 AromaticContact CD1-NE1 3.52Å; F61-W145 HydrophobicContact CD2-CH2 4.42Å; F61-W145 HydrophobicContact CD2-CZ2 4.05Å; F61-W145 HydrophobicContact CG-CD2 4.23Å; F61-W145 AromaticContact CG-CE2 3.62Å; F61-W145 HydrophobicContact CG-CH2 4.39Å; F61-W145 AromaticContact CG-CZ2 3.72Å; F61-W145 HydrophobicContact CG-CZ2 3.72Å; F61-W145 AromaticContact CG-NE1 3.75Å; F61-E318 WeakPolarHBondContact CZ-OE2 3.49Å; F61-R321 VanDerWaalsContact CE2-CD 3.44Å
62G98.4Very high97.4Very high1 Ų145.8 Ų45.81%0.0122%0.224CC..EExtended strand (participates in β ladder)trans71.5-136.3-172.100000110.8F73 K74G62-F73 CarbonylContact O-C 3.43Å; G62-F73 WeakPolarHBondContact O-CA 3.43Å; G62-K74 PolarHBondContact N-O 3.28Å; G62-K74 PolarHBondContact O-N 3.11Å
63V98.3Very high97.7Very high10 Ų1043.2 Ų43.26%0.06121%0.21CC..EExtended strand (participates in β ladder)trans-113130.4179.160.90000111.5F72 F73 W160 H162V63-F72 WeakPolarHBondContact CA-O 3.43Å; V63-F73 HydrophobicContact CB-CD1 3.74Å; V63-F73 HydrophobicContact CB-CE1 3.53Å; V63-F73 HydrophobicContact CB-CZ 4.22Å; V63-F73 HydrophobicContact CG2-CD1 3.86Å; V63-F73 HydrophobicContact CG2-CE1 3.31Å; V63-F73 HydrophobicContact CG2-CE2 4.15Å; V63-F73 HydrophobicContact CG2-CG 4.48Å; V63-F73 HydrophobicContact CG2-CZ 3.47Å; V63-F73 VanDerWaalsContact CG2-CZ 3.47Å; V63-W160 HydrophobicContact CB-CZ2 4.09Å; V63-W160 HydrophobicContact CG1-CZ2 3.86Å; V63-H162 WeakPolarHBondContact CG1-ND1 3.42Å
64Q97.8Very high97.8Very high29 Ų2938.4 Ų38.414%0.13619%0.188CC..EExtended strand (participates in β ladder)trans-130.3132.9180-51.8-58.8-35.700110.1Y58 R59 F61 L71 F72Y58-Q64 PolarHBondContact O-NE2 3.39Å; R59-Q64 VanDerWaalsContact C-CD 3.5Å; R59-Q64 WeakPolarHBondContact O-CG 3.09Å; F61-Q64 PolarHBondContact O-NE2 3.45Å; Q64-L71 WeakPolarHBondContact O-CA 3.45Å; Q64-F72 PolarHBondContact N-O 2.99Å; Q64-F72 PolarHBondContact O-N 2.86Å
65R97.3Very high97.8Very high111 Ų11138.3 Ų38.342%0.41919%0.187SC..EExtended strand (participates in β ladder)trans-84.7122.1169.4-179172.8172.1179.9-1.1109.6N69 L71 P119 D164R65-N69 VanDerWaalsContact CZ-OD1 3.25Å; R65-N69 PolarHBondContact NE-OD1 2.59Å; R65-N69 PolarHBondContact NH2-OD1 2.95Å; R65-L71 HydrophobicContact CB-CD2 3.83Å; R65-L71 HydrophobicContact CG-CD2 4.18Å; R65-P119 VanDerWaalsContact CZ-CG 3.46Å; R65-D164 WeakPolarHBondContact CD-OD2 3.41Å; R65-D164 IonicContact CZ-OD2 3.12Å; R65-D164 IonicContact NE-OD2 2.74Å; R65-D164 IonicContact NH1-OD2 3.2Å; R65-D164 PolarHBondContact NH1-OD2 2.94Å
66L96.9Very high97.9Very high62 Ų6239.4 Ų39.433%0.32519%0.191SC..  trans-82.9163.6176.8-61.6-170.2000111.2D68 N69 S70 F72L66-D68 WeakPolarHBondContact CB-OD1 3.45Å; L66-D68 PolarHBondContact O-N 2.7Å; L66-D68 VanDerWaalsContact O-N 3.13Å; L66-N69 WeakPolarHBondContact O-CA 3.3Å; L66-N69 PolarHBondContact O-N 2.73Å; L66-S70 WeakPolarHBondContact CB-OG 3.43Å; L66-S70 WeakPolarHBondContact CD1-OG 3.38Å; L66-S70 PolarHBondContact N-O 3.39Å; L66-F72 HydrophobicContact CD1-CB 4.05Å; L66-F72 HydrophobicContact CD2-CB 4.06Å; L66-F72 HydrophobicContact CG-CB 3.99Å
67P95.8Very high97.9Very high136 Ų13636.1 Ų36.188%0.88318%0.179SC*.THydrogen-bonded Turntrans-59-23.9-178.6-27.136.3000115.2N69P67-N69 VanDerWaalsContact C-N 3.28Å
68D95.8Very high97.9Very high91 Ų9138.2 Ų38.249%0.48719%0.192SC..THydrogen-bonded Turntrans-89.212.3175.668.6-9.3000113.2L66 S70L66-D68 WeakPolarHBondContact CB-OD1 3.45Å; L66-D68 PolarHBondContact O-N 2.7Å; L66-D68 VanDerWaalsContact O-N 3.13Å; D68-S70 PolarHBondContact O-N 3.45Å; D68-S70 VanDerWaalsContact OD1-CB 3.27Å; D68-S70 WeakPolarHBondContact OD1-CB 3.31Å; D68-S70 PolarHBondContact OD1-N 2.91Å; D68-S70 PolarHBondContact OD1-OG 2.97Å
69N96.5Very high97.9Very high30 Ų3038.9 Ų38.916%0.1620%0.202CC..SBendtrans63.67-174.6-60.5-39.7000115.6R65 L66 P67 P113 N117 P119R65-N69 VanDerWaalsContact CZ-OD1 3.25Å; R65-N69 PolarHBondContact NE-OD1 2.59Å; R65-N69 PolarHBondContact NH2-OD1 2.95Å; L66-N69 WeakPolarHBondContact O-CA 3.3Å; L66-N69 PolarHBondContact O-N 2.73Å; P67-N69 VanDerWaalsContact C-N 3.28Å; N69-P113 HydrophobicContact CB-CB 4.08Å; N69-N117 PolarHBondContact ND2-O 2.96Å; N69-P119 HydrophobicContact CB-CG 4.5Å; N69-P119 WeakPolarHBondContact O-CA 3.45Å
70S97.8Very high97.9Very high3 Ų332.4 Ų32.42%0.02118%0.177CC..  trans-66.3152.4165.5670000110.5L66 D68 I111L66-S70 WeakPolarHBondContact CB-OG 3.43Å; L66-S70 WeakPolarHBondContact CD1-OG 3.38Å; L66-S70 PolarHBondContact N-O 3.39Å; D68-S70 PolarHBondContact O-N 3.45Å; D68-S70 VanDerWaalsContact OD1-CB 3.27Å; D68-S70 WeakPolarHBondContact OD1-CB 3.31Å; D68-S70 PolarHBondContact OD1-N 2.91Å; D68-S70 PolarHBondContact OD1-OG 2.97Å; S70-I111 CarbonylContact C-O 3.54Å; S70-I111 VanDerWaalsContact CA-O 3.3Å; S70-I111 WeakPolarHBondContact CA-O 3.48Å; S70-I111 VanDerWaalsContact CB-O 3.31Å; S70-I111 WeakPolarHBondContact CB-O 3.45Å
71L98.4Very high97.9Very high0 Ų036.1 Ų36.10%019%0.19CC..EExtended strand (participates in β ladder)trans-105119175.7-64.9-175.7000109.6Q64 R65 F73 T110 I111 P119 A120 V121Q64-L71 WeakPolarHBondContact O-CA 3.45Å; R65-L71 HydrophobicContact CB-CD2 3.83Å; R65-L71 HydrophobicContact CG-CD2 4.18Å; L71-F73 HydrophobicContact CB-CD2 4.37Å; L71-F73 HydrophobicContact CB-CE2 3.57Å; L71-F73 HydrophobicContact CB-CZ 4.14Å; L71-F73 HydrophobicContact CD1-CE2 4.47Å; L71-F73 HydrophobicContact CD1-CZ 4.3Å; L71-T110 CarbonylContact O-C 3.54Å; L71-T110 WeakPolarHBondContact O-CA 3.4Å; L71-I111 PolarHBondContact N-O 2.87Å; L71-I111 PolarHBondContact O-N 3.32Å; L71-P119 HydrophobicContact CD2-CB 4.33Å; L71-P119 HydrophobicContact CG-CB 4.45Å; L71-A120 HydrophobicContact CD1-CB 4.36Å; L71-V121 HydrophobicContact CD1-CB 3.49Å; L71-V121 VanDerWaalsContact CD1-CB 3.49Å; L71-V121 HydrophobicContact CD1-CG2 3.75Å
72F98.7Very high97.9Very high36 Ų3637.1 Ų37.116%0.15820%0.199CC..EExtended strand (participates in β ladder)trans-95.9130.2173.3178-103.8000109.8S60 V63 Q64 L66 K74 E108 L109S60-F72 WeakPolarHBondContact O-CE1 3.37Å; V63-F72 WeakPolarHBondContact CA-O 3.43Å; Q64-F72 PolarHBondContact N-O 2.99Å; Q64-F72 PolarHBondContact O-N 2.86Å; L66-F72 HydrophobicContact CD1-CB 4.05Å; L66-F72 HydrophobicContact CD2-CB 4.06Å; L66-F72 HydrophobicContact CG-CB 3.99Å; F72-K74 HydrophobicContact CE1-CB 3.68Å; F72-K74 HydrophobicContact CE1-CD 4.38Å; F72-K74 HydrophobicContact CZ-CB 3.95Å; F72-K74 HydrophobicContact CZ-CD 4.35Å; F72-E108 HydrophobicContact CE2-CB 4Å; F72-E108 HydrophobicContact CE2-CG 4.06Å; F72-E108 HydrophobicContact CZ-CB 4.24Å; F72-E108 HydrophobicContact CZ-CG 3.8Å; F72-L109 CarbonylContact C-O 3.51Å; F72-L109 WeakPolarHBondContact CA-O 3.46Å
73F98.8Very high97.9Very high0 Ų037.1 Ų37.10%020%0.199CC..EExtended strand (participates in β ladder)trans-118.6135.6176.5-62.1-99.8000109.8G62 V63 L71 L85 Y99 E108 L109 I111 L127 W160G62-F73 CarbonylContact O-C 3.43Å; G62-F73 WeakPolarHBondContact O-CA 3.43Å; V63-F73 HydrophobicContact CB-CD1 3.74Å; V63-F73 HydrophobicContact CB-CE1 3.53Å; V63-F73 HydrophobicContact CB-CZ 4.22Å; V63-F73 HydrophobicContact CG2-CD1 3.86Å; V63-F73 HydrophobicContact CG2-CE1 3.31Å; V63-F73 HydrophobicContact CG2-CE2 4.15Å; V63-F73 HydrophobicContact CG2-CG 4.48Å; V63-F73 HydrophobicContact CG2-CZ 3.47Å; V63-F73 VanDerWaalsContact CG2-CZ 3.47Å; L71-F73 HydrophobicContact CB-CD2 4.37Å; L71-F73 HydrophobicContact CB-CE2 3.57Å; L71-F73 HydrophobicContact CB-CZ 4.14Å; L71-F73 HydrophobicContact CD1-CE2 4.47Å; L71-F73 HydrophobicContact CD1-CZ 4.3Å; F73-L85 HydrophobicContact CD1-CD1 4.31Å; F73-L85 HydrophobicContact CD1-CD2 4.03Å; F73-L85 HydrophobicContact CD2-CD2 4.15Å; F73-L85 HydrophobicContact CE1-CD1 4.13Å; F73-L85 HydrophobicContact CE1-CD2 3.54Å; F73-L85 HydrophobicContact CE2-CD2 3.7Å; F73-L85 HydrophobicContact CG-CD2 4.31Å; F73-L85 HydrophobicContact CZ-CD2 3.37Å; F73-Y99 HydrophobicContact CB-CE1 3.53Å; F73-Y99 WeakPolarHBondContact CB-OH 2.99Å; F73-E108 CarbonylContact O-C 3.6Å; F73-E108 VanDerWaalsContact O-CA 3.31Å; F73-E108 WeakPolarHBondContact O-CA 3.46Å; F73-L109 HydrophobicContact CB-CB 4.26Å; F73-L109 HydrophobicContact CD2-CD2 4.33Å; F73-L109 HydrophobicContact CD2-CG 4.39Å; F73-L109 PolarHBondContact N-O 3.17Å; F73-L109 PolarHBondContact O-N 2.7Å; F73-I111 HydrophobicContact CD2-CD1 4.39Å; F73-I111 HydrophobicContact CD2-CG1 4.41Å; F73-I111 HydrophobicContact CE2-CD1 3.74Å; F73-I111 HydrophobicContact CE2-CG1 4.06Å; F73-I111 HydrophobicContact CZ-CD1 4.44Å; F73-L127 HydrophobicContact CE1-CD1 4.21Å; F73-W160 AromaticContact CD1-CH2 3.91Å; F73-W160 HydrophobicContact CD1-CH2 3.91Å; F73-W160 AromaticContact CE1-CH2 3.78Å; F73-W160 HydrophobicContact CE1-CH2 3.78Å; F73-W160 HydrophobicContact CE1-CZ2 4.29Å
74K98.9Very high98Very high27 Ų2738 Ų3812%0.11720%0.202CC..EExtended strand (participates in β ladder)trans-141.4131.6173-178175.862.61730112.4S60 F61 G62 F72 W107 E108S60-K74 VanDerWaalsContact C-CE 3.44Å; S60-K74 VanDerWaalsContact CB-NZ 3.27Å; S60-K74 WeakPolarHBondContact O-CB 3.27Å; S60-K74 VanDerWaalsContact O-CE 3.29Å; S60-K74 WeakPolarHBondContact O-CE 3.33Å; S60-K74 WeakPolarHBondContact OG-CE 3.33Å; S60-K74 PolarHBondContact OG-NZ 2.91Å; F61-K74 WeakPolarHBondContact CA-O 3.44Å; F61-K74 HydrophobicContact CD1-CD 4.44Å; F61-K74 HydrophobicContact CD1-CG 4.01Å; F61-K74 VanDerWaalsContact CD2-CE 3.43Å; F61-K74 HydrophobicContact CE1-CD 4.29Å; F61-K74 HydrophobicContact CE1-CG 4.05Å; F61-K74 HydrophobicContact CE2-CD 4.43Å; F61-K74 HydrophobicContact CG-CG 4.48Å; F61-K74 HydrophobicContact CZ-CD 4.31Å; G62-K74 PolarHBondContact N-O 3.28Å; G62-K74 PolarHBondContact O-N 3.11Å; F72-K74 HydrophobicContact CE1-CB 3.68Å; F72-K74 HydrophobicContact CE1-CD 4.38Å; F72-K74 HydrophobicContact CZ-CB 3.95Å; F72-K74 HydrophobicContact CZ-CD 4.35Å; K74-W107 VanDerWaalsContact CA-O 3.23Å; K74-W107 WeakPolarHBondContact CA-O 3.36Å; K74-E108 HydrophobicContact CB-CG 4.32Å; K74-E108 HydrophobicContact CD-CG 4.18Å; K74-E108 HydrophobicContact CG-CG 4.01Å
75E98.9Very high98Very high0 Ų036.6 Ų36.60%020%0.196CC..EExtended strand (participates in β ladder)trans-130.6157.6179.6-60.2-59.5169.900111.8L83 Y99 K106 W107 V129 S143 P144 F288E75-L83 HydrophobicContact CB-CD1 4.12Å; E75-Y99 HydrophobicContact CG-CE1 4.21Å; E75-K106 CarbonylContact O-C 3.5Å; E75-K106 WeakPolarHBondContact O-CA 3.14Å; E75-W107 PolarHBondContact N-O 3.47Å; E75-W107 PolarHBondContact O-N 3.46Å; E75-V129 HydrophobicContact CG-CG2 4.44Å; E75-S143 WeakPolarHBondContact OE1-CB 3.41Å; E75-S143 PolarHBondContact OE1-OG 3.38Å; E75-S143 PolarHBondContact OE2-OG 3.28Å; E75-P144 WeakPolarHBondContact OE2-CD 3.39Å; E75-F288 HydrophobicContact CB-CZ 4.37Å; E75-F288 HydrophobicContact CG-CZ 4.47Å
76W98.9Very high98.1Very high23 Ų2331.3 Ų31.39%0.08718%0.176CC..EExtended strand (participates in β ladder)trans-114.3112.2170.4179.260.3000109.7F61 P78 F104 F288 C294 F295 E318 V319F61-W76 HydrophobicContact CE1-CB 4Å; W76-P78 HydrophobicContact CZ2-CG 3.95Å; W76-F104 PolarHBondContact NE1-O 2.84Å; W76-F288 WeakPolarHBondContact O-CD1 3.21Å; W76-F288 VanDerWaalsContact O-CE1 3.29Å; W76-F288 WeakPolarHBondContact O-CE1 3.46Å; W76-C294 WeakPolarHBondContact CH2-O 3.32Å; W76-C294 WeakPolarHBondContact CZ3-O 3.49Å; W76-F295 HydrophobicContact CE3-CD1 4.41Å; W76-F295 AromaticContact CE3-CE1 3.9Å; W76-F295 HydrophobicContact CE3-CE1 3.9Å; W76-F295 HydrophobicContact CE3-CE2 4.28Å; W76-F295 AromaticContact CE3-CZ 3.83Å; W76-F295 HydrophobicContact CE3-CZ 3.83Å; W76-F295 HydrophobicContact CZ3-CD1 4.1Å; W76-F295 HydrophobicContact CZ3-CE1 4.06Å; W76-F295 HydrophobicContact CZ3-CG 4.37Å; W76-F295 HydrophobicContact CZ3-CZ 4.28Å; W76-E318 HydrophobicContact CD2-CB 3.47Å; W76-E318 VanDerWaalsContact CD2-CB 3.47Å; W76-E318 HydrophobicContact CD2-CG 3.81Å; W76-E318 HydrophobicContact CE3-CB 3.55Å; W76-E318 HydrophobicContact CE3-CG 4.41Å; W76-E318 HydrophobicContact CG-CB 4.08Å; W76-E318 HydrophobicContact CG-CG 4.01Å; W76-E318 HydrophobicContact CH2-CB 3.88Å; W76-E318 HydrophobicContact CZ2-CB 3.8Å; W76-E318 HydrophobicContact CZ2-CG 4.09Å; W76-E318 HydrophobicContact CZ3-CB 3.76Å; W76-V319 HydrophobicContact CZ3-CG2 4.4Å
77A98.6Very high98.1Very high0 Ų028.3 Ų28.30%016%0.16CC..  trans-150.775.6-176.500000108.7A79 A80 L83 G105 W107 F288 D289A77-A79 VanDerWaalsContact C-N 3.34Å; A77-A79 PolarHBondContact O-N 2.87Å; A77-A80 HydrophobicContact CB-CB 4.03Å; A77-A80 WeakPolarHBondContact O-CB 3.26Å; A77-A80 PolarHBondContact O-N 2.96Å; A77-L83 HydrophobicContact CB-CD1 3.97Å; A77-L83 HydrophobicContact CB-CD2 4.3Å; A77-G105 CarbonylContact C-O 3.48Å; A77-G105 PolarHBondContact N-O 2.81Å; A77-W107 PolarHBondContact O-NE1 2.78Å; A77-F288 HydrophobicContact CB-CD1 4.12Å; A77-F288 HydrophobicContact CB-CE1 3.74Å; A77-D289 HydrophobicContact CB-CB 3.52Å
78P98.3Very high98.2Very high51 Ų5125.4 Ų25.433%0.33114%0.135SC..THydrogen-bonded Turntrans-66.1-32.8-170.125.7-34.8000113.7W76 D289W76-P78 HydrophobicContact CZ2-CG 3.95Å; P78-D289 VanDerWaalsContact CD-OD2 3.25Å; P78-D289 WeakPolarHBondContact CD-OD2 3.4Å
79A97.9Very high98.3Very high32 Ų3223.7 Ų23.726%0.26412%0.123SC..THydrogen-bonded Turntrans-81.6-13.6-179.400000113.7A77 D289A77-A79 VanDerWaalsContact C-N 3.34Å; A77-A79 PolarHBondContact O-N 2.87Å; A79-D289 HydrophobicContact CB-CB 4.42Å; A79-D289 WeakPolarHBondContact CB-OD2 3.3Å; A79-D289 PolarHBondContact N-OD2 3.05Å
80A98.2Very high98.3Very high0 Ų023.6 Ų23.60%012%0.122CC..  trans-64.4139.9179.300000111.8A77 L83 K101 W107 V131 D289A77-A80 HydrophobicContact CB-CB 4.03Å; A77-A80 WeakPolarHBondContact O-CB 3.26Å; A77-A80 PolarHBondContact O-N 2.96Å; A80-L83 HydrophobicContact CB-CD2 3.77Å; A80-L83 HydrophobicContact CB-CG 4.25Å; A80-K101 PolarHBondContact O-NZ 2.81Å; A80-W107 HydrophobicContact CB-CZ2 4.22Å; A80-W107 WeakPolarHBondContact O-CZ2 3.24Å; A80-V131 HydrophobicContact CB-CG1 3.79Å; A80-D289 HydrophobicContact CB-CB 4.47Å
81E97.9Very high98.3Very high113 Ų11326.5 Ų26.553%0.52815%0.153SC..SBendtrans-82-39.5172.8-17361.3-162.100110.7W107 H132 K134E81-W107 WeakPolarHBondContact O-CH2 3.45Å; E81-H132 WeakPolarHBondContact CB-O 3.24Å; E81-H132 PolarHBondContact N-O 2.84Å; E81-K134 HydrophobicContact CB-CG 4.4Å
82A98.4Very high98.3Very high24 Ų2430.9 Ų30.920%0.19817%0.17CC..EExtended strand (participates in β ladder)trans-151.7151.8172.300000111.1F84 H132A82-F84 HydrophobicContact CB-CE2 3.69Å; A82-F84 HydrophobicContact CB-CZ 4.07Å; A82-H132 HydrophobicContact CB-CB 4.11Å; A82-H132 PolarHBondContact N-O 2.64Å; A82-H132 PolarHBondContact O-N 3.42Å
83L98.6Very high98.2Very high1 Ų132.9 Ų32.91%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-122.6144.4172-65.6-169.3000111.3E75 A77 A80 Y99 W107 V129 V130 V131E75-L83 HydrophobicContact CB-CD1 4.12Å; A77-L83 HydrophobicContact CB-CD1 3.97Å; A77-L83 HydrophobicContact CB-CD2 4.3Å; A80-L83 HydrophobicContact CB-CD2 3.77Å; A80-L83 HydrophobicContact CB-CG 4.25Å; L83-Y99 HydrophobicContact CB-CD2 3.92Å; L83-Y99 HydrophobicContact CB-CG 4.08Å; L83-Y99 PolarHBondContact O-N 2.68Å; L83-W107 HydrophobicContact CB-CD2 4.18Å; L83-W107 HydrophobicContact CB-CE3 4.11Å; L83-W107 HydrophobicContact CB-CG 4.42Å; L83-W107 HydrophobicContact CD1-CB 3.58Å; L83-W107 VanDerWaalsContact CD1-CD1 3.49Å; L83-W107 HydrophobicContact CD1-CD2 3.84Å; L83-W107 HydrophobicContact CD1-CG 3.35Å; L83-W107 HydrophobicContact CG-CB 4.42Å; L83-W107 HydrophobicContact CG-CD2 3.78Å; L83-W107 HydrophobicContact CG-CE3 4.2Å; L83-W107 HydrophobicContact CG-CG 3.88Å; L83-V129 HydrophobicContact CD1-CG1 4.49Å; L83-V129 HydrophobicContact CD2-CG1 4.17Å; L83-V130 WeakPolarHBondContact CA-O 3.39Å; L83-V131 HydrophobicContact CD2-CB 3.97Å; L83-V131 HydrophobicContact CD2-CG1 3.85Å; L83-V131 HydrophobicContact CD2-CG2 3.68Å
84F98.8Very high98.1Very high28 Ų2836.7 Ų36.712%0.12320%0.198CC..EExtended strand (participates in β ladder)trans-136.8152.2173.7-51-99.9000110.5A82 K94 F95 H97 P98 V130 H132A82-F84 HydrophobicContact CB-CE2 3.69Å; A82-F84 HydrophobicContact CB-CZ 4.07Å; F84-K94 WeakPolarHBondContact CB-O 3.4Å; F84-K94 VanDerWaalsContact CG-O 3.3Å; F84-K94 WeakPolarHBondContact CG-O 3.27Å; F84-F95 HydrophobicContact CD1-CB 4.44Å; F84-F95 HydrophobicContact CD1-CD1 4.47Å; F84-F95 HydrophobicContact CE1-CB 4.33Å; F84-F95 HydrophobicContact CE1-CD1 4.22Å; F84-F95 HydrophobicContact CE2-CD1 4.31Å; F84-F95 HydrophobicContact CZ-CD1 4.16Å; F84-H97 CarbonylContact C-O 3.5Å; F84-H97 WeakPolarHBondContact CA-O 3.32Å; F84-P98 HydrophobicContact CD1-CB 3.69Å; F84-P98 HydrophobicContact CE1-CB 3.68Å; F84-V130 HydrophobicContact CB-CB 4.18Å; F84-V130 PolarHBondContact N-O 3.3Å; F84-V130 PolarHBondContact O-N 3.29Å; F84-H132 AromaticContact CE2-CE1 3.56Å; F84-H132 AromaticContact CE2-CG 3.99Å; F84-H132 AromaticContact CE2-ND1 3.63Å; F84-H132 AromaticContact CE2-NE2 3.92Å
85L98.8Very high97.9Very high0 Ų039.9 Ų39.90%021%0.212CC..EExtended strand (participates in β ladder)trans-95.3137.3167.7-171.569.2000109.3F73 F89 H97 Y99 L109 I111 W160F73-L85 HydrophobicContact CD1-CD1 4.31Å; F73-L85 HydrophobicContact CD1-CD2 4.03Å; F73-L85 HydrophobicContact CD2-CD2 4.15Å; F73-L85 HydrophobicContact CE1-CD1 4.13Å; F73-L85 HydrophobicContact CE1-CD2 3.54Å; F73-L85 HydrophobicContact CE2-CD2 3.7Å; F73-L85 HydrophobicContact CG-CD2 4.31Å; F73-L85 HydrophobicContact CZ-CD2 3.37Å; L85-F89 HydrophobicContact CD2-CE1 4.04Å; L85-F89 HydrophobicContact CD2-CZ 3.8Å; L85-F89 HydrophobicContact CG-CE1 4.13Å; L85-F89 HydrophobicContact CG-CZ 4.11Å; L85-H97 HydrophobicContact CB-CB 4.12Å; L85-H97 PolarHBondContact N-O 3.49Å; L85-Y99 HydrophobicContact CB-CE2 3.81Å; L85-L109 HydrophobicContact CB-CD2 3.69Å; L85-L109 HydrophobicContact CD2-CD2 4.21Å; L85-I111 HydrophobicContact CD2-CD1 3.75Å; L85-W160 HydrophobicContact CD1-CH2 4.01Å; L85-W160 HydrophobicContact CD1-CZ3 3.62Å
86T98.6Very high97.8Very high0 Ų042.6 Ų42.60%023%0.231CC..EExtended strand (participates in β ladder)trans-137.9158.1172.6-163.70000110.1W92 D93 L127 K128 V130 Y140T86-W92 HydrophobicContact CG2-CE3 3.96Å; T86-W92 HydrophobicContact CG2-CZ3 4.22Å; T86-W92 VanDerWaalsContact OG1-CA 3.32Å; T86-W92 WeakPolarHBondContact OG1-CA 3.42Å; T86-W92 PolarHBondContact OG1-O 3Å; T86-D93 WeakPolarHBondContact CB-O 3.37Å; T86-D93 PolarHBondContact OG1-O 2.85Å; T86-L127 CarbonylContact O-C 3.48Å; T86-L127 WeakPolarHBondContact O-CA 3.49Å; T86-K128 HydrophobicContact CG2-CB 4.02Å; T86-K128 PolarHBondContact N-O 2.8Å; T86-K128 PolarHBondContact O-N 3.49Å; T86-K128 VanDerWaalsContact O-O 3.11Å; T86-V130 HydrophobicContact CG2-CG2 3.5Å; T86-Y140 HydrophobicContact CG2-CD1 4.47Å
87G97.9Very high97.8Very high0 Ų043.5 Ų43.50%024%0.237CC..EExtended strand (participates in β ladder)trans172.7-170.1176.900000112.6F89 N90 G91 W92 R126G87-F89 PolarHBondContact O-N 3.26Å; G87-N90 PolarHBondContact N-OD1 2.59Å; G87-N90 PolarHBondContact O-N 3.45Å; G87-N90 PolarHBondContact O-OD1 3.38Å; G87-G91 PolarHBondContact O-N 3.07Å; G87-W92 WeakPolarHBondContact O-CA 3.47Å; G87-W92 PolarHBondContact O-N 2.89Å; G87-R126 CarbonylContact C-O 3.44Å; G87-R126 WeakPolarHBondContact CA-O 3.31Å
88E97.8Very high97.8Very high75 Ų7546.8 Ų46.835%0.3526%0.258SS..G310 helixtrans-64.1-33.1179.7-60168.1134.500111.7N90 G91 W92 T125 R126E88-N90 PolarHBondContact O-N 3.46Å; E88-N90 VanDerWaalsContact O-N 3.11Å; E88-G91 PolarHBondContact O-N 3.01Å; E88-G91 VanDerWaalsContact O-N 3.08Å; E88-W92 HydrophobicContact CG-CZ2 4.03Å; E88-T125 HydrophobicContact CB-CG2 3.93Å; E88-R126 VanDerWaalsContact CD-NE 3.34Å; E88-R126 HydrophobicContact CG-CB 4.07Å; E88-R126 PolarHBondContact N-O 3.32Å; E88-R126 IonicContact OE1-CZ 2.71Å; E88-R126 IonicContact OE1-NE 3.49Å; E88-R126 PolarHBondContact OE1-NE 3.38Å; E88-R126 IonicContact OE1-NH2 2.7Å; E88-R126 PolarHBondContact OE1-NH2 2.77Å; E88-R126 PolarHBondContact OE2-N 3.25Å; E88-R126 IonicContact OE2-NE 2.64Å
89F97.5Very high97.8Very high55 Ų5544.9 Ų44.924%0.24124%0.244CC..G310 helixtrans-58.8-25.4-178.480.1-79000114.1L85 G87 H97 I111 V121 T125 L127L85-F89 HydrophobicContact CD2-CE1 4.04Å; L85-F89 HydrophobicContact CD2-CZ 3.8Å; L85-F89 HydrophobicContact CG-CE1 4.13Å; L85-F89 HydrophobicContact CG-CZ 4.11Å; G87-F89 PolarHBondContact O-N 3.26Å; F89-H97 AromaticContact CE2-CE1 3.55Å; F89-H97 AromaticContact CE2-ND1 3.91Å; F89-H97 AromaticContact CE2-NE2 3.6Å; F89-H97 AromaticContact CZ-ND1 3.89Å; F89-I111 HydrophobicContact CE2-CD1 3.96Å; F89-I111 HydrophobicContact CZ-CD1 4.13Å; F89-V121 HydrophobicContact CB-CG1 4.43Å; F89-V121 HydrophobicContact CB-CG2 4.18Å; F89-V121 HydrophobicContact CD1-CG2 3.98Å; F89-V121 HydrophobicContact CD2-CG2 3.83Å; F89-V121 HydrophobicContact CE1-CG2 4.34Å; F89-V121 HydrophobicContact CE2-CG2 4.18Å; F89-V121 HydrophobicContact CG-CG2 3.72Å; F89-V121 HydrophobicContact CZ-CG2 4.44Å; F89-T125 HydrophobicContact CB-CG2 4.03Å; F89-L127 HydrophobicContact CD1-CD2 3.5Å; F89-L127 HydrophobicContact CE1-CD2 3.55Å
90N97.3Very high97.8Very high27 Ų2746.7 Ų46.714%0.14425%0.254CS..G310 helixtrans-120.520.7178.376.1-25000112.9G87 E88 W92 D93 S96 H97G87-N90 PolarHBondContact N-OD1 2.59Å; G87-N90 PolarHBondContact O-N 3.45Å; G87-N90 PolarHBondContact O-OD1 3.38Å; E88-N90 PolarHBondContact O-N 3.46Å; E88-N90 VanDerWaalsContact O-N 3.11Å; N90-W92 VanDerWaalsContact C-N 3.26Å; N90-W92 PolarHBondContact O-N 3.44Å; N90-W92 PolarHBondContact OD1-N 3.35Å; N90-D93 PolarHBondContact ND2-O 3.33Å; N90-D93 WeakPolarHBondContact O-CB 3.42Å; N90-D93 PolarHBondContact O-N 2.85Å; N90-S96 PolarHBondContact ND2-OG 2.92Å; N90-H97 PolarHBondContact ND2-ND1 3.1Å; N90-H97 VanDerWaalsContact ND2-ND1 3.2Å
91G97.8Very high97.8Very high64 Ų6451.8 Ų51.866%0.6628%0.277SS*.THydrogen-bonded Turntrans63.729.3179.500000113.9G87 E88 D93G87-G91 PolarHBondContact O-N 3.07Å; E88-G91 PolarHBondContact O-N 3.01Å; E88-G91 VanDerWaalsContact O-N 3.08Å; G91-D93 PolarHBondContact O-N 3.21Å
92W97.7Very high97.9Very high93 Ų9351 Ų5135%0.35227%0.272SS..THydrogen-bonded Turntrans58.926.3-175.8-61.497000114.2T86 G87 E88 N90 K94 R126 K128T86-W92 HydrophobicContact CG2-CE3 3.96Å; T86-W92 HydrophobicContact CG2-CZ3 4.22Å; T86-W92 VanDerWaalsContact OG1-CA 3.32Å; T86-W92 WeakPolarHBondContact OG1-CA 3.42Å; T86-W92 PolarHBondContact OG1-O 3Å; G87-W92 WeakPolarHBondContact O-CA 3.47Å; G87-W92 PolarHBondContact O-N 2.89Å; E88-W92 HydrophobicContact CG-CZ2 4.03Å; N90-W92 VanDerWaalsContact C-N 3.26Å; N90-W92 PolarHBondContact O-N 3.44Å; N90-W92 PolarHBondContact OD1-N 3.35Å; W92-K94 PolarHBondContact O-N 3.01Å; W92-R126 HydrophobicContact CH2-CB 4.16Å; W92-R126 HydrophobicContact CZ2-CB 4.01Å; W92-K128 HydrophobicContact CH2-CG 4.43Å; W92-K128 HydrophobicContact CZ3-CB 4.29Å; W92-K128 HydrophobicContact CZ3-CG 4.04Å
93D97.6Very high97.8Very high77 Ų7757 Ų5741%0.41230%0.295SS..  trans-64.3129.8168.6-177.2-56.3000109.4T86 N90 G91 F95 S96T86-D93 WeakPolarHBondContact CB-O 3.37Å; T86-D93 PolarHBondContact OG1-O 2.85Å; N90-D93 PolarHBondContact ND2-O 3.33Å; N90-D93 WeakPolarHBondContact O-CB 3.42Å; N90-D93 PolarHBondContact O-N 2.85Å; G91-D93 PolarHBondContact O-N 3.21Å; D93-F95 PolarHBondContact OD1-N 3.11Å; D93-S96 WeakPolarHBondContact CB-OG 3.48Å; D93-S96 WeakPolarHBondContact OD1-CB 3.45Å; D93-S96 PolarHBondContact OD1-N 3.4Å; D93-S96 PolarHBondContact OD1-OG 3.45Å; D93-S96 VanDerWaalsContact OD1-OG 3.07Å
94K95.8Very high97.8Very high81 Ų8164.4 Ų64.435%0.35233%0.328SS..SBendtrans-89.9-11-167.9-59.2167.3-172-170.70113.5F84 W92 V130 Y140F84-K94 WeakPolarHBondContact CB-O 3.4Å; F84-K94 VanDerWaalsContact CG-O 3.3Å; F84-K94 WeakPolarHBondContact CG-O 3.27Å; W92-K94 PolarHBondContact O-N 3.01Å; K94-V130 HydrophobicContact CB-CG2 4.49Å; K94-Y140 WeakPolarHBondContact CD-OH 3.22Å; K94-Y140 WeakPolarHBondContact CE-OH 3.22Å; K94-Y140 HydrophobicContact CG-CE1 4.43Å; K94-Y140 PolarHBondContact NZ-OH 3.29Å
95F95.2Very high97.7Very high94 Ų9463.6 Ų63.641%0.41233%0.327SS..SBendtrans-129.2-15.5-168.2-52-57.3000113.9F84 D93 H97 H132F84-F95 HydrophobicContact CD1-CB 4.44Å; F84-F95 HydrophobicContact CD1-CD1 4.47Å; F84-F95 HydrophobicContact CE1-CB 4.33Å; F84-F95 HydrophobicContact CE1-CD1 4.22Å; F84-F95 HydrophobicContact CE2-CD1 4.31Å; F84-F95 HydrophobicContact CZ-CD1 4.16Å; D93-F95 PolarHBondContact OD1-N 3.11Å; F95-H97 VanDerWaalsContact C-N 3.25Å; F95-H97 PolarHBondContact O-N 3.27Å; F95-H132 AromaticContact CE1-CE1 3.41Å; F95-H132 VanDerWaalsContact CE1-CE1 3.41Å; F95-H132 WeakPolarHBondContact CE1-CE1 3.41Å; F95-H132 AromaticContact CE1-NE2 3.46Å; F95-H132 WeakPolarHBondContact CE1-NE2 3.48Å
96S96.5Very high97.7Very high57 Ų5765.2 Ų65.240%0.39933%0.334SS..SBendtrans-62.1-24.9-175.947.60000115N90 D93 P98N90-S96 PolarHBondContact ND2-OG 2.92Å; D93-S96 WeakPolarHBondContact CB-OG 3.48Å; D93-S96 WeakPolarHBondContact OD1-CB 3.45Å; D93-S96 PolarHBondContact OD1-N 3.4Å; D93-S96 PolarHBondContact OD1-OG 3.45Å; D93-S96 VanDerWaalsContact OD1-OG 3.07Å; S96-P98 WeakPolarHBondContact O-CD 3.4Å
97H98.4Very high97.7Very high42 Ų4265.7 Ų65.719%0.19434%0.336CS..EExtended strand (participates in β ladder)trans-125.373-177.3-5983000111.7F84 L85 F89 N90 F95 L109F84-H97 CarbonylContact C-O 3.5Å; F84-H97 WeakPolarHBondContact CA-O 3.32Å; L85-H97 HydrophobicContact CB-CB 4.12Å; L85-H97 PolarHBondContact N-O 3.49Å; F89-H97 AromaticContact CE2-CE1 3.55Å; F89-H97 AromaticContact CE2-ND1 3.91Å; F89-H97 AromaticContact CE2-NE2 3.6Å; F89-H97 AromaticContact CZ-ND1 3.89Å; N90-H97 PolarHBondContact ND2-ND1 3.1Å; N90-H97 VanDerWaalsContact ND2-ND1 3.2Å; F95-H97 VanDerWaalsContact C-N 3.25Å; F95-H97 PolarHBondContact O-N 3.27Å; H97-L109 HydrophobicContact CB-CD2 3.96Å
98P98.6Very high97.8Very high68 Ų6868.4 Ų68.444%0.44235%0.349SS..EExtended strand (participates in β ladder)trans-72.2138.217929.6-33.6000111.9F84 S96F84-P98 HydrophobicContact CD1-CB 3.69Å; F84-P98 HydrophobicContact CE1-CB 3.68Å; S96-P98 WeakPolarHBondContact O-CD 3.4Å
99Y98.8Very high97.8Very high12 Ų1265.8 Ų65.85%0.04734%0.337CS..PPolyproline II helixtrans-78.7148.4166.7-69.4-115.7000110.3F73 E75 L83 L85 W107 E108 L109F73-Y99 HydrophobicContact CB-CE1 3.53Å; F73-Y99 WeakPolarHBondContact CB-OH 2.99Å; E75-Y99 HydrophobicContact CG-CE1 4.21Å; L83-Y99 HydrophobicContact CB-CD2 3.92Å; L83-Y99 HydrophobicContact CB-CG 4.08Å; L83-Y99 PolarHBondContact O-N 2.68Å; L85-Y99 HydrophobicContact CB-CE2 3.81Å; Y99-W107 HydrophobicContact CD1-CB 4.01Å; Y99-W107 HydrophobicContact CG-CB 4.29Å; Y99-E108 CarbonylContact C-O 3.58Å; Y99-E108 WeakPolarHBondContact CA-O 3.39Å; Y99-L109 HydrophobicContact CD1-CB 3.64Å; Y99-L109 HydrophobicContact CD2-CB 4.14Å; Y99-L109 HydrophobicContact CD2-CD2 4.14Å; Y99-L109 HydrophobicContact CE1-CB 3.86Å; Y99-L109 HydrophobicContact CE2-CB 4.33Å; Y99-L109 HydrophobicContact CE2-CD2 3.89Å; Y99-L109 HydrophobicContact CG-CB 3.79Å
100S98.6Very high97.9Very high69 Ų6966.8 Ų66.848%0.48335%0.348SS..EExtended strand (participates in β ladder)trans-87122.4168.8-64.10000110.2W107 E108S100-W107 WeakPolarHBondContact O-CA 3.44Å; S100-E108 PolarHBondContact N-O 2.97Å; S100-E108 PolarHBondContact O-N 3.42Å
101K98.4Very high97.9Very high108 Ų10866.1 Ų66.147%0.4734%0.344SS..EExtended strand (participates in β ladder)trans-63.4135.7172.4-161.1169.2-168.1155.80110.2A80 W107A80-K101 PolarHBondContact O-NZ 2.81Å; K101-W107 HydrophobicContact CB-CD2 4.19Å; K101-W107 HydrophobicContact CB-CE3 3.78Å; K101-W107 HydrophobicContact CB-CH2 3.66Å; K101-W107 HydrophobicContact CB-CZ2 4.09Å; K101-W107 HydrophobicContact CB-CZ3 3.51Å; K101-W107 HydrophobicContact CD-CH2 3.58Å; K101-W107 HydrophobicContact CD-CZ2 3.52Å; K101-W107 HydrophobicContact CD-CZ3 4.34Å; K101-W107 HydrophobicContact CG-CD2 4.16Å; K101-W107 HydrophobicContact CG-CE3 4.24Å; K101-W107 HydrophobicContact CG-CH2 3.72Å; K101-W107 HydrophobicContact CG-CZ2 3.64Å; K101-W107 HydrophobicContact CG-CZ3 4.03Å
102K98.3Very high97.9Very high97 Ų9767.4 Ų67.442%0.42234%0.341SS..  trans-119.1177.2175.9-56.6-60178.8175.20109.7K106 E108K102-K106 WeakPolarHBondContact CA-O 3.45Å; K102-K106 HydrophobicContact CB-CB 4.22Å; K102-K106 WeakPolarHBondContact CB-O 3.35Å; K102-K106 PolarHBondContact N-O 2.86Å; K102-E108 WeakPolarHBondContact CE-OE2 3.14Å; K102-E108 HydrophobicContact CG-CB 4.36Å; K102-E108 HydrophobicContact CG-CG 3.97Å; K102-E108 IonicContact NZ-OE2 3.5Å
103E97Very high97.9Very high148 Ų14864.8 Ų64.869%0.69234%0.336SS*.G310 helixtrans-59.5158.8173.9-62.4-173.5161.300111.5G105 K106E103-G105 PolarHBondContact O-N 2.82Å; E103-G105 VanDerWaalsContact O-N 3.11Å; E103-K106 PolarHBondContact O-N 2.82Å
104F97.8Very high97.9Very high157 Ų15764.7 Ų64.769%0.68933%0.332SS*.G310 helixtrans59.122.4178.1-47.5-73.6000114.9W76 K106W76-F104 PolarHBondContact NE1-O 2.84Å; F104-K106 VanDerWaalsContact C-N 3.28Å; F104-K106 PolarHBondContact O-N 3.34Å
105G97.6Very high97.8Very high11 Ų1167.4 Ų67.411%0.11336%0.361CS..G310 helixtrans73.518.3177.600000114.4A77 E103 W107A77-G105 CarbonylContact C-O 3.48Å; A77-G105 PolarHBondContact N-O 2.81Å; E103-G105 PolarHBondContact O-N 2.82Å; E103-G105 VanDerWaalsContact O-N 3.11Å; G105-W107 VanDerWaalsContact O-CD1 3.26Å; G105-W107 PolarHBondContact O-NE1 3.48Å
106K98.8Very high97.9Very high34 Ų3468.4 Ų68.415%0.14837%0.371CS..EExtended strand (participates in β ladder)trans-83.2155173.8-68.4165.4178.51430110.3F61 E75 K102 E103 F104 E318F61-K106 HydrophobicContact CZ-CD 4.42Å; F61-K106 HydrophobicContact CZ-CG 4.48Å; E75-K106 CarbonylContact O-C 3.5Å; E75-K106 WeakPolarHBondContact O-CA 3.14Å; K102-K106 WeakPolarHBondContact CA-O 3.45Å; K102-K106 HydrophobicContact CB-CB 4.22Å; K102-K106 WeakPolarHBondContact CB-O 3.35Å; K102-K106 PolarHBondContact N-O 2.86Å; E103-K106 PolarHBondContact O-N 2.82Å; F104-K106 VanDerWaalsContact C-N 3.28Å; F104-K106 PolarHBondContact O-N 3.34Å; K106-E318 VanDerWaalsContact CE-CD 3.47Å; K106-E318 WeakPolarHBondContact CE-OE1 3.4Å; K106-E318 IonicContact NZ-OE1 2.74Å; K106-E318 PolarHBondContact NZ-OE1 3.36Å
107W98.9Very high97.8Very high10 Ų1070.4 Ų70.44%0.03838%0.377CS..EExtended strand (participates in β ladder)trans-137.8135.5-177.5-65.486.4000109.7K74 E75 A77 A80 E81 L83 Y99 S100 K101 G105K74-W107 VanDerWaalsContact CA-O 3.23Å; K74-W107 WeakPolarHBondContact CA-O 3.36Å; E75-W107 PolarHBondContact N-O 3.47Å; E75-W107 PolarHBondContact O-N 3.46Å; A77-W107 PolarHBondContact O-NE1 2.78Å; A80-W107 HydrophobicContact CB-CZ2 4.22Å; A80-W107 WeakPolarHBondContact O-CZ2 3.24Å; E81-W107 WeakPolarHBondContact O-CH2 3.45Å; L83-W107 HydrophobicContact CB-CD2 4.18Å; L83-W107 HydrophobicContact CB-CE3 4.11Å; L83-W107 HydrophobicContact CB-CG 4.42Å; L83-W107 HydrophobicContact CD1-CB 3.58Å; L83-W107 VanDerWaalsContact CD1-CD1 3.49Å; L83-W107 HydrophobicContact CD1-CD2 3.84Å; L83-W107 HydrophobicContact CD1-CG 3.35Å; L83-W107 HydrophobicContact CG-CB 4.42Å; L83-W107 HydrophobicContact CG-CD2 3.78Å; L83-W107 HydrophobicContact CG-CE3 4.2Å; L83-W107 HydrophobicContact CG-CG 3.88Å; Y99-W107 HydrophobicContact CD1-CB 4.01Å; Y99-W107 HydrophobicContact CG-CB 4.29Å; S100-W107 WeakPolarHBondContact O-CA 3.44Å; K101-W107 HydrophobicContact CB-CD2 4.19Å; K101-W107 HydrophobicContact CB-CE3 3.78Å; K101-W107 HydrophobicContact CB-CH2 3.66Å; K101-W107 HydrophobicContact CB-CZ2 4.09Å; K101-W107 HydrophobicContact CB-CZ3 3.51Å; K101-W107 HydrophobicContact CD-CH2 3.58Å; K101-W107 HydrophobicContact CD-CZ2 3.52Å; K101-W107 HydrophobicContact CD-CZ3 4.34Å; K101-W107 HydrophobicContact CG-CD2 4.16Å; K101-W107 HydrophobicContact CG-CE3 4.24Å; K101-W107 HydrophobicContact CG-CH2 3.72Å; K101-W107 HydrophobicContact CG-CZ2 3.64Å; K101-W107 HydrophobicContact CG-CZ3 4.03Å; G105-W107 VanDerWaalsContact O-CD1 3.26Å; G105-W107 PolarHBondContact O-NE1 3.48Å
108E98.8Very high97.6Very high58 Ų5869.9 Ų69.927%0.27138%0.378SS..EExtended strand (participates in β ladder)trans-131.8141.9-175.8-65.6179.216900112.3F72 F73 K74 Y99 S100 K102F72-E108 HydrophobicContact CE2-CB 4Å; F72-E108 HydrophobicContact CE2-CG 4.06Å; F72-E108 HydrophobicContact CZ-CB 4.24Å; F72-E108 HydrophobicContact CZ-CG 3.8Å; F73-E108 CarbonylContact O-C 3.6Å; F73-E108 VanDerWaalsContact O-CA 3.31Å; F73-E108 WeakPolarHBondContact O-CA 3.46Å; K74-E108 HydrophobicContact CB-CG 4.32Å; K74-E108 HydrophobicContact CD-CG 4.18Å; K74-E108 HydrophobicContact CG-CG 4.01Å; Y99-E108 CarbonylContact C-O 3.58Å; Y99-E108 WeakPolarHBondContact CA-O 3.39Å; S100-E108 PolarHBondContact N-O 2.97Å; S100-E108 PolarHBondContact O-N 3.42Å; K102-E108 WeakPolarHBondContact CE-OE2 3.14Å; K102-E108 HydrophobicContact CG-CB 4.36Å; K102-E108 HydrophobicContact CG-CG 3.97Å; K102-E108 IonicContact NZ-OE2 3.5Å
109L98.7Very high97.5Very high19 Ų1967.4 Ų67.410%0.09936%0.362CS..EExtended strand (participates in β ladder)trans-141.7134.1175.816566.7000109F72 F73 L85 H97 Y99 I111F72-L109 CarbonylContact C-O 3.51Å; F72-L109 WeakPolarHBondContact CA-O 3.46Å; F73-L109 HydrophobicContact CB-CB 4.26Å; F73-L109 HydrophobicContact CD2-CD2 4.33Å; F73-L109 HydrophobicContact CD2-CG 4.39Å; F73-L109 PolarHBondContact N-O 3.17Å; F73-L109 PolarHBondContact O-N 2.7Å; L85-L109 HydrophobicContact CB-CD2 3.69Å; L85-L109 HydrophobicContact CD2-CD2 4.21Å; H97-L109 HydrophobicContact CB-CD2 3.96Å; Y99-L109 HydrophobicContact CD1-CB 3.64Å; Y99-L109 HydrophobicContact CD2-CB 4.14Å; Y99-L109 HydrophobicContact CD2-CD2 4.14Å; Y99-L109 HydrophobicContact CE1-CB 3.86Å; Y99-L109 HydrophobicContact CE2-CB 4.33Å; Y99-L109 HydrophobicContact CE2-CD2 3.89Å; Y99-L109 HydrophobicContact CG-CB 3.79Å; L109-I111 HydrophobicContact CD1-CG1 4.21Å; L109-I111 HydrophobicContact CD2-CD1 4.14Å; L109-I111 HydrophobicContact CD2-CG1 4.12Å; L109-I111 HydrophobicContact CG-CG1 4.01Å
110T98.6Very high97.3Very high76 Ų7667.5 Ų67.547%0.46637%0.365SS..EExtended strand (participates in β ladder)trans-118.2125169.5-54.70000109.1L71L71-T110 CarbonylContact O-C 3.54Å; L71-T110 WeakPolarHBondContact O-CA 3.4Å
111I98.3Very high97.3Very high13 Ų1364.2 Ų64.27%0.06734%0.342CS..EExtended strand (participates in β ladder)trans-105.2121174.8-48.1-178.4000108.2S70 L71 F73 L85 F89 L109 A120S70-I111 CarbonylContact C-O 3.54Å; S70-I111 VanDerWaalsContact CA-O 3.3Å; S70-I111 WeakPolarHBondContact CA-O 3.48Å; S70-I111 VanDerWaalsContact CB-O 3.31Å; S70-I111 WeakPolarHBondContact CB-O 3.45Å; L71-I111 PolarHBondContact N-O 2.87Å; L71-I111 PolarHBondContact O-N 3.32Å; F73-I111 HydrophobicContact CD2-CD1 4.39Å; F73-I111 HydrophobicContact CD2-CG1 4.41Å; F73-I111 HydrophobicContact CE2-CD1 3.74Å; F73-I111 HydrophobicContact CE2-CG1 4.06Å; F73-I111 HydrophobicContact CZ-CD1 4.44Å; L85-I111 HydrophobicContact CD2-CD1 3.75Å; F89-I111 HydrophobicContact CE2-CD1 3.96Å; F89-I111 HydrophobicContact CZ-CD1 4.13Å; L109-I111 HydrophobicContact CD1-CG1 4.21Å; L109-I111 HydrophobicContact CD2-CD1 4.14Å; L109-I111 HydrophobicContact CD2-CG1 4.12Å; L109-I111 HydrophobicContact CG-CG1 4.01Å; I111-A120 HydrophobicContact CB-CB 3.88Å; I111-A120 HydrophobicContact CG2-CB 3.38Å
112P98Very high97.2Very high92 Ų9262.9 Ų62.960%0.59734%0.34SS*.PPolyproline II helixtrans-65155.5-179.828.9-35.4000111.2A120P112-A120 WeakPolarHBondContact O-CB 3.48Å
113P97.7Very high97.2Very high38 Ų3860.7 Ų60.725%0.24733%0.331CS..PPolyproline II helixtrans-60.2161.9175.529.3-37.3000111.7N69 S118N69-P113 HydrophobicContact CB-CB 4.08Å; P113-S118 CarbonylContact C-O 3.55Å; P113-S118 WeakPolarHBondContact CA-O 3.43Å; P113-S118 VanDerWaalsContact CB-O 3.24Å; P113-S118 WeakPolarHBondContact CB-O 3.39Å
114K96.3Very high97.2Very high75 Ų7560.4 Ų60.433%0.32632%0.324SS..PPolyproline II helixtrans-65168172.6-63.7-176.4-168.2163.70110.7D116 N117 S118 P119 A120 D122K114-D116 VanDerWaalsContact CB-OD1 3.29Å; K114-D116 WeakPolarHBondContact CB-OD1 3.33Å; K114-D116 PolarHBondContact O-N 3.29Å; K114-N117 WeakPolarHBondContact O-CA 3.44Å; K114-N117 PolarHBondContact O-N 2.94Å; K114-S118 WeakPolarHBondContact CD-OG 3.2Å; K114-S118 PolarHBondContact N-O 3.28Å; K114-P119 VanDerWaalsContact CE-O 3.25Å; K114-P119 WeakPolarHBondContact CE-O 3.31Å; K114-A120 WeakPolarHBondContact CE-O 3.43Å; K114-D122 IonicContact NZ-OD1 2.85Å; K114-D122 PolarHBondContact NZ-OD1 3.36Å; K114-D122 IonicContact NZ-OD2 3.72Å; K114-D122 PolarHBondContact NZ-OD2 2.84Å
115S95.5Very high97.2Very high138 Ų13853.6 Ų53.697%0.96530%0.295SS*.THydrogen-bonded Turntrans-62.3-22.1-178.5520000114.4N117S115-N117 VanDerWaalsContact C-N 3.27Å
116D95.5Very high97.3Very high114 Ų11455.9 Ų55.961%0.6130%0.301SS*.THydrogen-bonded Turntrans-88.49.6173.264.7-2.1000113.2K114 S118K114-D116 VanDerWaalsContact CB-OD1 3.29Å; K114-D116 WeakPolarHBondContact CB-OD1 3.33Å; K114-D116 PolarHBondContact O-N 3.29Å; D116-S118 PolarHBondContact O-N 2.98Å; D116-S118 WeakPolarHBondContact OD1-CB 3.49Å; D116-S118 PolarHBondContact OD1-N 2.76Å; D116-S118 PolarHBondContact OD1-OG 3.32Å
117N94.6Very high97.2Very high99 Ų9954.3 Ų54.353%0.52929%0.294SS..SBendtrans65.813.5-177.2-159.257.4000114.7N69 K114 S115N69-N117 PolarHBondContact ND2-O 2.96Å; K114-N117 WeakPolarHBondContact O-CA 3.44Å; K114-N117 PolarHBondContact O-N 2.94Å; S115-N117 VanDerWaalsContact C-N 3.27Å
118S95.6Very high97.2Very high31 Ų3154.6 Ų54.622%0.21730%0.295CS..  trans-77.1163169.388.60000111.4P113 K114 D116P113-S118 CarbonylContact C-O 3.55Å; P113-S118 WeakPolarHBondContact CA-O 3.43Å; P113-S118 VanDerWaalsContact CB-O 3.24Å; P113-S118 WeakPolarHBondContact CB-O 3.39Å; K114-S118 WeakPolarHBondContact CD-OG 3.2Å; K114-S118 PolarHBondContact N-O 3.28Å; D116-S118 PolarHBondContact O-N 2.98Å; D116-S118 WeakPolarHBondContact OD1-CB 3.49Å; D116-S118 PolarHBondContact OD1-N 2.76Å; D116-S118 PolarHBondContact OD1-OG 3.32Å
119P96.3Very high97.2Very high17 Ų1751.9 Ų51.911%0.1128%0.282CS..  trans-55.8148.6173.5-26.236.3000113.4R65 N69 L71 K114 V121R65-P119 VanDerWaalsContact CZ-CG 3.46Å; N69-P119 HydrophobicContact CB-CG 4.5Å; N69-P119 WeakPolarHBondContact O-CA 3.45Å; L71-P119 HydrophobicContact CD2-CB 4.33Å; L71-P119 HydrophobicContact CG-CB 4.45Å; K114-P119 VanDerWaalsContact CE-O 3.25Å; K114-P119 WeakPolarHBondContact CE-O 3.31Å; P119-V121 VanDerWaalsContact C-N 3.29Å; P119-V121 PolarHBondContact O-N 3.32Å
120A95Very high97.2Very high13 Ų1351 Ų5111%0.10728%0.278CS..SBendtrans-62-34.8-179.400000113.7L71 I111 P112 K114L71-A120 HydrophobicContact CD1-CB 4.36Å; I111-A120 HydrophobicContact CB-CB 3.88Å; I111-A120 HydrophobicContact CG2-CB 3.38Å; P112-A120 WeakPolarHBondContact O-CB 3.48Å; K114-A120 WeakPolarHBondContact CE-O 3.43Å
121V97.2Very high97.2Very high1 Ų147.3 Ų47.31%0.00626%0.255CS..SBendtrans-117.5126178.6-178.90000107.4L71 F89 P119 T125 L127 H162L71-V121 HydrophobicContact CD1-CB 3.49Å; L71-V121 VanDerWaalsContact CD1-CB 3.49Å; L71-V121 HydrophobicContact CD1-CG2 3.75Å; F89-V121 HydrophobicContact CB-CG1 4.43Å; F89-V121 HydrophobicContact CB-CG2 4.18Å; F89-V121 HydrophobicContact CD1-CG2 3.98Å; F89-V121 HydrophobicContact CD2-CG2 3.83Å; F89-V121 HydrophobicContact CE1-CG2 4.34Å; F89-V121 HydrophobicContact CE2-CG2 4.18Å; F89-V121 HydrophobicContact CG-CG2 3.72Å; F89-V121 HydrophobicContact CZ-CG2 4.44Å; P119-V121 VanDerWaalsContact C-N 3.29Å; P119-V121 PolarHBondContact O-N 3.32Å; V121-T125 HydrophobicContact CG1-CG2 3.77Å; V121-L127 HydrophobicContact CG1-CD1 4.36Å; V121-L127 HydrophobicContact CG1-CD2 4Å; V121-L127 HydrophobicContact CG1-CG 4.45Å; V121-L127 HydrophobicContact CG2-CD2 4.45Å; V121-H162 HydrophobicContact CG1-CB 4.09Å
122D97.2Very high97.2Very high80 Ų8048.3 Ų48.343%0.42826%0.26SS..  trans-74.9151.1-179.8-61.6-46.9000111.1K114 R124 T125K114-D122 IonicContact NZ-OD1 2.85Å; K114-D122 PolarHBondContact NZ-OD1 3.36Å; K114-D122 IonicContact NZ-OD2 3.72Å; K114-D122 PolarHBondContact NZ-OD2 2.84Å; D122-R124 PolarHBondContact O-N 2.95Å; D122-T125 PolarHBondContact N-OG1 3.23Å; D122-T125 WeakPolarHBondContact O-CB 3.49Å; D122-T125 PolarHBondContact O-N 3.15Å; D122-T125 VanDerWaalsContact O-N 3.08Å; D122-T125 PolarHBondContact O-OG1 2.97Å
123H97.9Very high97.1Very high50 Ų5044.7 Ų44.723%0.23124%0.236CC..THydrogen-bonded Turntrans-50.2137.6168.6175.462.1000110.7T125 W163 D164H123-T125 VanDerWaalsContact C-N 3.26Å; H123-T125 PolarHBondContact O-N 3.26Å; H123-W163 AromaticContact CE1-CD2 3.7Å; H123-W163 AromaticContact CE1-CE3 3.44Å; H123-W163 VanDerWaalsContact CE1-CE3 3.44Å; H123-W163 AromaticContact CE1-CH2 3.85Å; H123-W163 AromaticContact CE1-CZ3 3.54Å; H123-W163 AromaticContact NE2-CZ3 3.93Å; H123-D164 WeakPolarHBondContact CB-O 3.19Å; H123-D164 PolarHBondContact ND1-N 2.94Å
124R97.4Very high96.9Very high143 Ų14350.2 Ų50.254%0.5426%0.256SS..THydrogen-bonded Turntrans66.515.5-175.8-59.7178.9-178.9-153.9-3.5116.2D122 V161 H162 W163D122-R124 PolarHBondContact O-N 2.95Å; R124-V161 HydrophobicContact CB-CG1 4.18Å; R124-V161 HydrophobicContact CG-CG1 4.38Å; R124-H162 PolarHBondContact N-O 2.99Å; R124-W163 HydrophobicContact CG-CZ3 4.33Å
125T98.1Very high96.8Very high14 Ų1453.8 Ų53.89%0.08628%0.278CS..  trans-73.6135.9168.2-57.10000110.4E88 F89 V121 D122 H123 L127 H162E88-T125 HydrophobicContact CB-CG2 3.93Å; F89-T125 HydrophobicContact CB-CG2 4.03Å; V121-T125 HydrophobicContact CG1-CG2 3.77Å; D122-T125 PolarHBondContact N-OG1 3.23Å; D122-T125 WeakPolarHBondContact O-CB 3.49Å; D122-T125 PolarHBondContact O-N 3.15Å; D122-T125 VanDerWaalsContact O-N 3.08Å; D122-T125 PolarHBondContact O-OG1 2.97Å; H123-T125 VanDerWaalsContact C-N 3.26Å; H123-T125 PolarHBondContact O-N 3.26Å; T125-L127 HydrophobicContact CG2-CD2 4.48Å; T125-H162 PolarHBondContact O-N 3.2Å
126R98.1Very high96.7Very high59 Ų5950.1 Ų50.122%0.22326%0.262CS..EExtended strand (participates in β ladder)trans-75.8140.1171.9-66.5-177.9-74-166.1-11.6112G87 E88 W92 E152 D159 W160 V161G87-R126 CarbonylContact C-O 3.44Å; G87-R126 WeakPolarHBondContact CA-O 3.31Å; E88-R126 VanDerWaalsContact CD-NE 3.34Å; E88-R126 HydrophobicContact CG-CB 4.07Å; E88-R126 PolarHBondContact N-O 3.32Å; E88-R126 IonicContact OE1-CZ 2.71Å; E88-R126 IonicContact OE1-NE 3.49Å; E88-R126 PolarHBondContact OE1-NE 3.38Å; E88-R126 IonicContact OE1-NH2 2.7Å; E88-R126 PolarHBondContact OE1-NH2 2.77Å; E88-R126 PolarHBondContact OE2-N 3.25Å; E88-R126 IonicContact OE2-NE 2.64Å; W92-R126 HydrophobicContact CH2-CB 4.16Å; W92-R126 HydrophobicContact CZ2-CB 4.01Å; R126-E152 IonicContact CZ-OE1 3.48Å; R126-E152 IonicContact NH1-OE1 3.55Å; R126-E152 PolarHBondContact NH1-OE1 3.12Å; R126-E152 IonicContact NH2-OE1 2.71Å; R126-D159 HydrophobicContact CB-CB 4.38Å; R126-D159 WeakPolarHBondContact CD-OD2 3.38Å; R126-D159 HydrophobicContact CG-CB 3.95Å; R126-D159 IonicContact NH1-OD2 3.42Å; R126-D159 PolarHBondContact NH1-OD2 2.57Å; R126-W160 CarbonylContact C-O 3.58Å; R126-W160 VanDerWaalsContact CA-O 3.31Å; R126-W160 WeakPolarHBondContact CA-O 3.44Å; R126-V161 HydrophobicContact CG-CG2 4.4Å
127L98.4Very high96.7Very high0 Ų050.2 Ų50.20%026%0.259CS..EExtended strand (participates in β ladder)trans-135.1157-176.9-62.5178.1000110.2F73 T86 F89 V121 T125 W160 H162F73-L127 HydrophobicContact CE1-CD1 4.21Å; T86-L127 CarbonylContact O-C 3.48Å; T86-L127 WeakPolarHBondContact O-CA 3.49Å; F89-L127 HydrophobicContact CD1-CD2 3.5Å; F89-L127 HydrophobicContact CE1-CD2 3.55Å; V121-L127 HydrophobicContact CG1-CD1 4.36Å; V121-L127 HydrophobicContact CG1-CD2 4Å; V121-L127 HydrophobicContact CG1-CG 4.45Å; V121-L127 HydrophobicContact CG2-CD2 4.45Å; T125-L127 HydrophobicContact CG2-CD2 4.48Å; L127-W160 HydrophobicContact CB-CD2 3.64Å; L127-W160 HydrophobicContact CB-CE3 3.33Å; L127-W160 HydrophobicContact CB-CG 4.23Å; L127-W160 HydrophobicContact CB-CH2 4.29Å; L127-W160 HydrophobicContact CB-CZ3 3.7Å; L127-W160 HydrophobicContact CD1-CD2 4.18Å; L127-W160 HydrophobicContact CD1-CE3 4.23Å; L127-W160 HydrophobicContact CD1-CH2 3.75Å; L127-W160 HydrophobicContact CD1-CZ2 3.67Å; L127-W160 HydrophobicContact CD1-CZ3 4.02Å; L127-W160 HydrophobicContact CG-CE3 4.43Å; L127-W160 PolarHBondContact N-O 2.77Å; L127-W160 WeakPolarHBondContact O-CB 3.38Å; L127-H162 HydrophobicContact CD1-CB 3.91Å; L127-H162 HydrophobicContact CG-CB 4.49Å
128K98.1Very high96.8Very high17 Ų1752.4 Ų52.47%0.07426%0.26CS..EExtended strand (participates in β ladder)trans-145.2152.2161.5-69.9-156.5179.6-158.10110.1T86 W92 D159T86-K128 HydrophobicContact CG2-CB 4.02Å; T86-K128 PolarHBondContact N-O 2.8Å; T86-K128 PolarHBondContact O-N 3.49Å; T86-K128 VanDerWaalsContact O-O 3.11Å; W92-K128 HydrophobicContact CH2-CG 4.43Å; W92-K128 HydrophobicContact CZ3-CB 4.29Å; W92-K128 HydrophobicContact CZ3-CG 4.04Å; K128-D159 WeakPolarHBondContact CE-OD1 3.43Å
129V98.6Very high96.9Very high0 Ų052.2 Ų52.20%026%0.256CS..EExtended strand (participates in β ladder)trans-87.7128.8164.7-178.40000107.7E75 L83 V131 Y140 R141 W160E75-V129 HydrophobicContact CG-CG2 4.44Å; L83-V129 HydrophobicContact CD1-CG1 4.49Å; L83-V129 HydrophobicContact CD2-CG1 4.17Å; V129-V131 HydrophobicContact CG1-CG2 4.12Å; V129-Y140 WeakPolarHBondContact O-CA 3.44Å; V129-R141 PolarHBondContact N-O 3.21Å; V129-R141 PolarHBondContact O-N 3.16Å; V129-W160 HydrophobicContact CG2-CZ3 4.05Å
130V98.6Very high96.9Very high0 Ų054.5 Ų54.50%026%0.264CS..EExtended strand (participates in β ladder)trans-95.8119.4170.9-173.30000108L83 F84 T86 K94 L139 Y140L83-V130 WeakPolarHBondContact CA-O 3.39Å; F84-V130 HydrophobicContact CB-CB 4.18Å; F84-V130 PolarHBondContact N-O 3.3Å; F84-V130 PolarHBondContact O-N 3.29Å; T86-V130 HydrophobicContact CG2-CG2 3.5Å; K94-V130 HydrophobicContact CB-CG2 4.49Å; V130-L139 CarbonylContact C-O 3.59Å; V130-L139 WeakPolarHBondContact CA-O 3.45Å; V130-Y140 HydrophobicContact CG2-CD1 4.11Å; V130-Y140 HydrophobicContact CG2-CE1 4.01Å
131V98.5Very high97.1Very high0 Ų054.6 Ų54.60%026%0.261CS..EExtended strand (participates in β ladder)trans-106122.5178.8-173.60000108.8A80 L83 V129 L139 R141 F288A80-V131 HydrophobicContact CB-CG1 3.79Å; L83-V131 HydrophobicContact CD2-CB 3.97Å; L83-V131 HydrophobicContact CD2-CG1 3.85Å; L83-V131 HydrophobicContact CD2-CG2 3.68Å; V129-V131 HydrophobicContact CG1-CG2 4.12Å; V131-L139 HydrophobicContact CB-CB 4.21Å; V131-L139 PolarHBondContact N-O 2.87Å; V131-L139 PolarHBondContact O-N 2.63Å; V131-R141 HydrophobicContact CG2-CB 4.46Å; V131-R141 HydrophobicContact CG2-CG 3.9Å; V131-F288 WeakPolarHBondContact CG2-O 3.39Å
132H97.9Very high97.2Very high34 Ų3454.8 Ų54.816%0.15726%0.262CS..EExtended strand (participates in β ladder)trans-95.1122.9169.6-74.6-165.8000109.6E81 A82 F84 F95 E137E81-H132 WeakPolarHBondContact CB-O 3.24Å; E81-H132 PolarHBondContact N-O 2.84Å; A82-H132 HydrophobicContact CB-CB 4.11Å; A82-H132 PolarHBondContact N-O 2.64Å; A82-H132 PolarHBondContact O-N 3.42Å; F84-H132 AromaticContact CE2-CE1 3.56Å; F84-H132 AromaticContact CE2-CG 3.99Å; F84-H132 AromaticContact CE2-ND1 3.63Å; F84-H132 AromaticContact CE2-NE2 3.92Å; F95-H132 AromaticContact CE1-CE1 3.41Å; F95-H132 VanDerWaalsContact CE1-CE1 3.41Å; F95-H132 WeakPolarHBondContact CE1-CE1 3.41Å; F95-H132 AromaticContact CE1-NE2 3.46Å; F95-H132 WeakPolarHBondContact CE1-NE2 3.48Å; H132-E137 WeakPolarHBondContact CA-O 3.48Å
133T97.4Very high97.3Very high15 Ų1551 Ų519%0.09224%0.242CC..  trans-86.6163.3176.273.40000110.6D135 G136 E137 L139T133-D135 PolarHBondContact O-N 3.37Å; T133-D135 PolarHBondContact OG1-N 2.96Å; T133-G136 PolarHBondContact O-N 3.25Å; T133-G136 VanDerWaalsContact O-N 3.09Å; T133-E137 HydrophobicContact CG2-CB 4.19Å; T133-E137 PolarHBondContact N-O 3.42Å; T133-E137 VanDerWaalsContact N-O 3.09Å; T133-E137 WeakPolarHBondContact OG1-CB 3.17Å; T133-E137 PolarHBondContact OG1-N 3.28Å; T133-E137 VanDerWaalsContact OG1-N 3.12Å; T133-L139 HydrophobicContact CG2-CD1 3.49Å; T133-L139 VanDerWaalsContact CG2-CD1 3.49Å; T133-L139 HydrophobicContact CG2-CG 4.05Å
134K93.2Very high97.3Very high155 Ų15549 Ų4967%0.67423%0.234SC*.THydrogen-bonded Turntrans-62.3-27.4174.6-67.6-178.6179.7176.60112.9E81 G136E81-K134 HydrophobicContact CB-CG 4.4Å; K134-G136 PolarHBondContact O-N 3.43Å
135D94.1Very high97.4Very high149 Ų14942.8 Ų42.880%0.79721%0.21SC*.THydrogen-bonded Turntrans-80.92.3178-56.8-47.4000112.7T133T133-D135 PolarHBondContact O-N 3.37Å; T133-D135 PolarHBondContact OG1-N 2.96Å
136G92.9Very high97.4Very high61 Ų6142.2 Ų42.263%0.62921%0.206SC*.SBendtrans84.58.6176.600000114.5T133 K134T133-G136 PolarHBondContact O-N 3.25Å; T133-G136 VanDerWaalsContact O-N 3.09Å; K134-G136 PolarHBondContact O-N 3.43Å
137E95.9Very high97.4Very high117 Ų11741.8 Ų41.855%0.54721%0.206SC..  trans-74.8156.2174.9-57.5-169.6158.700111.8H132 T133 L139H132-E137 WeakPolarHBondContact CA-O 3.48Å; T133-E137 HydrophobicContact CG2-CB 4.19Å; T133-E137 PolarHBondContact N-O 3.42Å; T133-E137 VanDerWaalsContact N-O 3.09Å; T133-E137 WeakPolarHBondContact OG1-CB 3.17Å; T133-E137 PolarHBondContact OG1-N 3.28Å; T133-E137 VanDerWaalsContact OG1-N 3.12Å; E137-L139 HydrophobicContact CB-CD2 4.49Å
138R96.1Very high97.5Very high144 Ų14442.7 Ų42.754%0.54321%0.21SC..EExtended strand (participates in β ladder)trans-123.6111.4177.9-59.4-176.3-175.2149.3-0.2109.2
139L97.8Very high97.5Very high27 Ų2742 Ų4214%0.14121%0.207CC..EExtended strand (participates in β ladder)trans-107.7140-176.1-51.1173000109V130 V131 T133 E137 G290V130-L139 CarbonylContact C-O 3.59Å; V130-L139 WeakPolarHBondContact CA-O 3.45Å; V131-L139 HydrophobicContact CB-CB 4.21Å; V131-L139 PolarHBondContact N-O 2.87Å; V131-L139 PolarHBondContact O-N 2.63Å; T133-L139 HydrophobicContact CG2-CD1 3.49Å; T133-L139 VanDerWaalsContact CG2-CD1 3.49Å; T133-L139 HydrophobicContact CG2-CG 4.05Å; E137-L139 HydrophobicContact CB-CD2 4.49Å; L139-G290 VanDerWaalsContact CD1-CA 3.49Å
140Y97.7Very high97.4Very high66 Ų6643.8 Ų43.826%0.25922%0.218SC..EExtended strand (participates in β ladder)trans-105.5130.3172.2-59.3-98000108.2T86 K94 V129 V130T86-Y140 HydrophobicContact CG2-CD1 4.47Å; K94-Y140 WeakPolarHBondContact CD-OH 3.22Å; K94-Y140 WeakPolarHBondContact CE-OH 3.22Å; K94-Y140 HydrophobicContact CG-CE1 4.43Å; K94-Y140 PolarHBondContact NZ-OH 3.29Å; V129-Y140 WeakPolarHBondContact O-CA 3.44Å; V130-Y140 HydrophobicContact CG2-CD1 4.11Å; V130-Y140 HydrophobicContact CG2-CE1 4.01Å
141R98.5Very high97.1Very high14 Ų1448.9 Ų48.95%0.05324%0.237CC..EExtended strand (participates in β ladder)trans-134.1149.9-174.5-61.5-65.5179.1-107.611111V129 V131 T281 A287 F288V129-R141 PolarHBondContact N-O 3.21Å; V129-R141 PolarHBondContact O-N 3.16Å; V131-R141 HydrophobicContact CG2-CB 4.46Å; V131-R141 HydrophobicContact CG2-CG 3.9Å; R141-T281 WeakPolarHBondContact CD-O 3.29Å; R141-T281 PolarHBondContact NE-O 2.8Å; R141-T281 PolarHBondContact NH1-O 3.38Å; R141-A287 PolarHBondContact NE-O 3.21Å; R141-A287 PolarHBondContact NH2-O 2.68Å; R141-A287 VanDerWaalsContact NH2-O 3.15Å; R141-F288 HydrophobicContact CB-CD2 3.78Å; R141-F288 HydrophobicContact CB-CE2 3.77Å; R141-F288 HydrophobicContact CG-CD2 3.99Å; R141-F288 HydrophobicContact CG-CE2 4.34Å; R141-F288 WeakPolarHBondContact CG-O 3.2Å
142I98.7Very high96.6Very high6 Ų653.8 Ų53.83%0.03126%0.26CS..  trans-79.2141.9161.9-68.3-176.2000107.8A146 V149 W160 D283I142-A146 HydrophobicContact CG2-CB 3.64Å; I142-V149 HydrophobicContact CD1-CB 4.31Å; I142-V149 HydrophobicContact CD1-CG1 3.91Å; I142-V149 HydrophobicContact CG2-CG1 3.84Å; I142-W160 HydrophobicContact CB-CB 4.37Å; I142-W160 HydrophobicContact CG1-CB 4.07Å; I142-W160 HydrophobicContact CG2-CB 4.03Å; I142-D283 HydrophobicContact CD1-CB 3.95Å
143S98.8Very high95.6Very high1 Ų161.6 Ų61.61%0.00730%0.297CS..  trans-58132.2172173.70000109.7E75 W145 A146E75-S143 WeakPolarHBondContact OE1-CB 3.41Å; E75-S143 PolarHBondContact OE1-OG 3.38Å; E75-S143 PolarHBondContact OE2-OG 3.28Å; S143-W145 PolarHBondContact O-N 3.33Å; S143-W145 PolarHBondContact OG-N 3.33Å; S143-A146 VanDerWaalsContact O-CB 3.24Å; S143-A146 WeakPolarHBondContact O-CB 3.2Å; S143-A146 PolarHBondContact O-N 3.42Å
144P98.8Very high94.7Very high8 Ų870.8 Ų70.85%0.05234%0.335CS..THydrogen-bonded Turntrans-53.3-24.7172.1-29.137.3000113E75 L285 F288 F295 F322E75-P144 WeakPolarHBondContact OE2-CD 3.39Å; P144-L285 HydrophobicContact CB-CD1 3.62Å; P144-L285 HydrophobicContact CG-CD1 3.74Å; P144-F288 VanDerWaalsContact CD-CE2 3.42Å; P144-F288 VanDerWaalsContact CD-CZ 3.49Å; P144-F288 HydrophobicContact CG-CD1 4Å; P144-F288 HydrophobicContact CG-CD2 3.9Å; P144-F288 HydrophobicContact CG-CE1 3.94Å; P144-F288 HydrophobicContact CG-CE2 3.89Å; P144-F288 HydrophobicContact CG-CG 3.97Å; P144-F288 HydrophobicContact CG-CZ 3.9Å; P144-F295 HydrophobicContact CB-CE2 4.38Å; P144-F295 HydrophobicContact CB-CZ 3.96Å; P144-F295 HydrophobicContact CG-CE2 3.92Å; P144-F295 HydrophobicContact CG-CZ 3.88Å; P144-F322 HydrophobicContact CB-CD2 4.43Å; P144-F322 HydrophobicContact CB-CE2 3.69Å; P144-F322 HydrophobicContact CB-CZ 4.38Å; P144-F322 VanDerWaalsContact O-CE2 3.32Å; P144-F322 WeakPolarHBondContact O-CE2 3.41Å
145W98.9Very high94.3Very high12 Ų1265.3 Ų65.35%0.04532%0.316CS..THydrogen-bonded Turntrans-102.116.5-177.5-55.188.7000112.9F61 S143 K147 F242 F322F61-W145 HydrophobicContact CB-CD2 3.4Å; F61-W145 VanDerWaalsContact CB-CD2 3.4Å; F61-W145 HydrophobicContact CB-CE3 3.94Å; F61-W145 HydrophobicContact CB-CG 3.66Å; F61-W145 HydrophobicContact CB-CH2 4.28Å; F61-W145 HydrophobicContact CB-CZ2 3.8Å; F61-W145 HydrophobicContact CB-CZ3 4.34Å; F61-W145 AromaticContact CD1-CE2 3.86Å; F61-W145 HydrophobicContact CD1-CZ2 4.1Å; F61-W145 AromaticContact CD1-NE1 3.52Å; F61-W145 HydrophobicContact CD2-CH2 4.42Å; F61-W145 HydrophobicContact CD2-CZ2 4.05Å; F61-W145 HydrophobicContact CG-CD2 4.23Å; F61-W145 AromaticContact CG-CE2 3.62Å; F61-W145 HydrophobicContact CG-CH2 4.39Å; F61-W145 AromaticContact CG-CZ2 3.72Å; F61-W145 HydrophobicContact CG-CZ2 3.72Å; F61-W145 AromaticContact CG-NE1 3.75Å; S143-W145 PolarHBondContact O-N 3.33Å; S143-W145 PolarHBondContact OG-N 3.33Å; W145-K147 PolarHBondContact O-N 3.37Å; W145-F242 HydrophobicContact CD2-CE2 4.28Å; W145-F242 HydrophobicContact CD2-CZ 4.45Å; W145-F242 HydrophobicContact CE3-CD1 4.33Å; W145-F242 HydrophobicContact CE3-CD2 4.18Å; W145-F242 AromaticContact CE3-CE1 3.8Å; W145-F242 HydrophobicContact CE3-CE1 3.8Å; W145-F242 AromaticContact CE3-CE2 3.64Å; W145-F242 HydrophobicContact CE3-CE2 3.64Å; W145-F242 AromaticContact CE3-CZ 3.42Å; W145-F242 HydrophobicContact CE3-CZ 3.42Å; W145-F242 VanDerWaalsContact CE3-CZ 3.42Å; W145-F242 HydrophobicContact CH2-CZ 4.22Å; W145-F242 AromaticContact CZ3-CE1 3.82Å; W145-F242 HydrophobicContact CZ3-CE1 3.82Å; W145-F242 AromaticContact CZ3-CE2 3.85Å; W145-F242 HydrophobicContact CZ3-CE2 3.85Å; W145-F242 AromaticContact CZ3-CZ 3.28Å; W145-F242 HydrophobicContact CZ3-CZ 3.28Å; W145-F322 HydrophobicContact CD2-CD2 4.3Å; W145-F322 AromaticContact CE2-CD2 3.87Å; W145-F322 HydrophobicContact CH2-CB 4.43Å; W145-F322 HydrophobicContact CH2-CD2 4.19Å; W145-F322 HydrophobicContact CZ2-CB 4.31Å; W145-F322 AromaticContact CZ2-CD2 3.82Å; W145-F322 HydrophobicContact CZ2-CD2 3.82Å
146A98.8Very high93.7Very high1 Ų164.2 Ų64.21%0.00832%0.315CS..  trans-59.2125.6177.100000111.1I142 S143 V149 W160 F242 A243I142-A146 HydrophobicContact CG2-CB 3.64Å; S143-A146 VanDerWaalsContact O-CB 3.24Å; S143-A146 WeakPolarHBondContact O-CB 3.2Å; S143-A146 PolarHBondContact O-N 3.42Å; A146-V149 HydrophobicContact CB-CG1 3.94Å; A146-W160 HydrophobicContact CB-CG 4.05Å; A146-F242 CarbonylContact O-C 3.42Å; A146-A243 PolarHBondContact O-N 3.47Å
147K98.6Very high93.7Very high50 Ų5063.6 Ų63.622%0.21730%0.297CS..SBendtrans-80.6-23179.1-60.8178.8-178.7177.50113W145 W163 A243 W329W145-K147 PolarHBondContact O-N 3.37Å; K147-W163 HydrophobicContact CB-CB 4.24Å; K147-A243 WeakPolarHBondContact O-CA 3.21Å; K147-W329 HydrophobicContact CB-CZ2 4.28Å; K147-W329 HydrophobicContact CD-CH2 3.79Å; K147-W329 HydrophobicContact CD-CZ2 4.33Å; K147-W329 HydrophobicContact CG-CH2 3.88Å; K147-W329 HydrophobicContact CG-CZ2 3.94Å
148Y98.8Very high93.7Very high20 Ų2058.2 Ų58.28%0.07827%0.271CS..  trans-155.6139.6179.8-163.2-126.3000109.9T150 V161 W163 G249 P251Y148-T150 HydrophobicContact CD1-CG2 3.91Å; Y148-T150 HydrophobicContact CE1-CG2 3.31Å; Y148-V161 HydrophobicContact CD1-CB 3.99Å; Y148-V161 HydrophobicContact CD1-CG1 4.05Å; Y148-V161 PolarHBondContact O-N 2.99Å; Y148-V161 VanDerWaalsContact O-O 3.11Å; Y148-W163 AromaticContact CD1-CE3 3.65Å; Y148-W163 HydrophobicContact CD1-CE3 3.65Å; Y148-W163 HydrophobicContact CD1-CZ3 4.04Å; Y148-W163 HydrophobicContact CE1-CE3 4.19Å; Y148-W163 HydrophobicContact CE1-CZ3 4.1Å; Y148-W163 HydrophobicContact CG-CE3 4.07Å; Y148-G249 WeakPolarHBondContact CE2-O 3.48Å; Y148-G249 PolarHBondContact OH-O 2.89Å; Y148-P251 HydrophobicContact CD2-CG 3.73Å; Y148-P251 HydrophobicContact CE2-CG 4.32Å; Y148-P251 HydrophobicContact CG-CG 4.15Å
149V98.6Very high93.8Very high1 Ų152.3 Ų52.31%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-137.1150.3175.1-56.30000107.4I142 A146 Y158 D159 E227 A243 S246I142-V149 HydrophobicContact CD1-CB 4.31Å; I142-V149 HydrophobicContact CD1-CG1 3.91Å; I142-V149 HydrophobicContact CG2-CG1 3.84Å; A146-V149 HydrophobicContact CB-CG1 3.94Å; V149-Y158 HydrophobicContact CB-CD1 4.1Å; V149-Y158 HydrophobicContact CG2-CD1 3.64Å; V149-Y158 HydrophobicContact CG2-CE1 4.29Å; V149-Y158 HydrophobicContact CG2-CG 4.41Å; V149-D159 CarbonylContact C-O 3.59Å; V149-D159 WeakPolarHBondContact CA-O 3.38Å; V149-D159 WeakPolarHBondContact CB-O 3.49Å; V149-E227 HydrophobicContact CG2-CB 4.28Å; V149-E227 HydrophobicContact CG2-CG 3.47Å; V149-E227 VanDerWaalsContact CG2-CG 3.47Å; V149-A243 HydrophobicContact CG2-CB 4.35Å; V149-S246 WeakPolarHBondContact O-CB 3.36Å; V149-S246 PolarHBondContact O-OG 3.1Å
150T97.1Very high93.8Very high39 Ų3951.1 Ų51.124%0.23924%0.244CC..EExtended strand (participates in β ladder)trans-138157.2178.861.40000110.5Y148 Y158 D159 V161Y148-T150 HydrophobicContact CD1-CG2 3.91Å; Y148-T150 HydrophobicContact CE1-CG2 3.31Å; T150-Y158 VanDerWaalsContact C-CD1 3.42Å; T150-Y158 WeakPolarHBondContact O-CA 3.06Å; T150-D159 PolarHBondContact N-O 2.89Å; T150-D159 PolarHBondContact O-N 3.49Å; T150-V161 HydrophobicContact CG2-CG2 3.89Å; T150-V161 VanDerWaalsContact OG1-CG2 3.22Å; T150-V161 WeakPolarHBondContact OG1-CG2 3.37Å
151R93Very high93.9Very high106 Ų10648.3 Ų48.340%0.423%0.234SC..  trans-120.7125.4173.3-170.7-176.169.2-174.72.8109.4S155 Y158R151-S155 WeakPolarHBondContact CD-O 3.45Å; R151-S155 WeakPolarHBondContact CG-O 3.28Å; R151-Y158 HydrophobicContact CB-CD1 3.94Å; R151-Y158 HydrophobicContact CB-CD2 3.89Å; R151-Y158 HydrophobicContact CB-CE1 3.8Å; R151-Y158 HydrophobicContact CB-CE2 3.71Å; R151-Y158 HydrophobicContact CB-CG 3.97Å; R151-Y158 HydrophobicContact CG-CD2 4.23Å; R151-Y158 HydrophobicContact CG-CE2 4.14Å
152E87Confident93.9Very high104 Ų10448 Ų4849%0.48623%0.233SC..  trans-64.4148.1168.8-66.1-172.2172.500110.4R126 K154 S155R126-E152 IonicContact CZ-OE1 3.48Å; R126-E152 IonicContact NH1-OE1 3.55Å; R126-E152 PolarHBondContact NH1-OE1 3.12Å; R126-E152 IonicContact NH2-OE1 2.71Å; E152-K154 PolarHBondContact O-N 3.45Å; E152-S155 PolarHBondContact O-N 3.09Å
153E77.5Confident93.8Very high198 Ų19848.4 Ų48.493%0.92523%0.234SC*.THydrogen-bonded Turntrans-53-30.8-174.5-72.4-176.1163.200114.5
154K78.4Confident93.8Very high208 Ų20850.5 Ų50.590%0.90425%0.245SC*.THydrogen-bonded Turntrans-97.4-6.5-179-63-179.6-177.7174.80113.7E152E152-K154 PolarHBondContact O-N 3.45Å
155S84.4Confident93.7Very high39 Ų3951 Ų5127%0.27325%0.248SC..  trans-87.6145.5-179.6-172.90000110.8R151 E152 I157R151-S155 WeakPolarHBondContact CD-O 3.45Å; R151-S155 WeakPolarHBondContact CG-O 3.28Å; E152-S155 PolarHBondContact O-N 3.09Å; S155-I157 PolarHBondContact OG-N 3.09Å; S155-I157 VanDerWaalsContact OG-N 3.13Å; S155-I157 PolarHBondContact OG-O 3.3Å
156V81.9Confident93.4Very high126 Ų12655.3 Ų55.376%0.76428%0.278SS*.SBendtrans-86.3-32.9168-178.30000110.6
157I92.4Very high93.2Very high49 Ų4963.2 Ų63.225%0.25132%0.315SS..SBendtrans-100.7140.9-170.8-60.7151.9000109.7S155 E282 D283S155-I157 PolarHBondContact OG-N 3.09Å; S155-I157 VanDerWaalsContact OG-N 3.13Å; S155-I157 PolarHBondContact OG-O 3.3Å; I157-E282 WeakPolarHBondContact CD1-OE2 3.44Å; I157-E282 HydrophobicContact CG1-CB 4.4Å; I157-E282 HydrophobicContact CG2-CB 3.98Å; I157-D283 HydrophobicContact CG2-CB 4.18Å
158Y96.8Very high93Very high3 Ų364.2 Ų64.21%0.01233%0.326CS..  trans-77152.5172.4-78.7-111.5000112.7V149 T150 R151 A229 R247 D283V149-Y158 HydrophobicContact CB-CD1 4.1Å; V149-Y158 HydrophobicContact CG2-CD1 3.64Å; V149-Y158 HydrophobicContact CG2-CE1 4.29Å; V149-Y158 HydrophobicContact CG2-CG 4.41Å; T150-Y158 VanDerWaalsContact C-CD1 3.42Å; T150-Y158 WeakPolarHBondContact O-CA 3.06Å; R151-Y158 HydrophobicContact CB-CD1 3.94Å; R151-Y158 HydrophobicContact CB-CD2 3.89Å; R151-Y158 HydrophobicContact CB-CE1 3.8Å; R151-Y158 HydrophobicContact CB-CE2 3.71Å; R151-Y158 HydrophobicContact CB-CG 3.97Å; R151-Y158 HydrophobicContact CG-CD2 4.23Å; R151-Y158 HydrophobicContact CG-CE2 4.14Å; Y158-A229 HydrophobicContact CD2-CB 4.14Å; Y158-A229 HydrophobicContact CE2-CB 3.96Å; Y158-R247 PolarHBondContact OH-NH1 3.08Å; Y158-R247 PolarHBondContact OH-NH2 2.68Å; Y158-D283 PolarHBondContact N-OD2 3.35Å
159D97.1Very high93Very high20 Ų2066 Ų6611%0.10733%0.334CS..EExtended strand (participates in β ladder)trans-106.9140.6169.2-70-47.1000110R126 K128 V149 T150 V161R126-D159 HydrophobicContact CB-CB 4.38Å; R126-D159 WeakPolarHBondContact CD-OD2 3.38Å; R126-D159 HydrophobicContact CG-CB 3.95Å; R126-D159 IonicContact NH1-OD2 3.42Å; R126-D159 PolarHBondContact NH1-OD2 2.57Å; K128-D159 WeakPolarHBondContact CE-OD1 3.43Å; V149-D159 CarbonylContact C-O 3.59Å; V149-D159 WeakPolarHBondContact CA-O 3.38Å; V149-D159 WeakPolarHBondContact CB-O 3.49Å; T150-D159 PolarHBondContact N-O 2.89Å; T150-D159 PolarHBondContact O-N 3.49Å; D159-V161 PolarHBondContact O-N 3.34Å
160W98.4Very high92.9Very high3 Ų371.2 Ų71.21%0.01137%0.365CS..EExtended strand (participates in β ladder)trans-73.6123.8168.1167.230.8000109.4V63 F73 L85 R126 L127 V129 I142 A146V63-W160 HydrophobicContact CB-CZ2 4.09Å; V63-W160 HydrophobicContact CG1-CZ2 3.86Å; F73-W160 AromaticContact CD1-CH2 3.91Å; F73-W160 HydrophobicContact CD1-CH2 3.91Å; F73-W160 AromaticContact CE1-CH2 3.78Å; F73-W160 HydrophobicContact CE1-CH2 3.78Å; F73-W160 HydrophobicContact CE1-CZ2 4.29Å; L85-W160 HydrophobicContact CD1-CH2 4.01Å; L85-W160 HydrophobicContact CD1-CZ3 3.62Å; R126-W160 CarbonylContact C-O 3.58Å; R126-W160 VanDerWaalsContact CA-O 3.31Å; R126-W160 WeakPolarHBondContact CA-O 3.44Å; L127-W160 HydrophobicContact CB-CD2 3.64Å; L127-W160 HydrophobicContact CB-CE3 3.33Å; L127-W160 HydrophobicContact CB-CG 4.23Å; L127-W160 HydrophobicContact CB-CH2 4.29Å; L127-W160 HydrophobicContact CB-CZ3 3.7Å; L127-W160 HydrophobicContact CD1-CD2 4.18Å; L127-W160 HydrophobicContact CD1-CE3 4.23Å; L127-W160 HydrophobicContact CD1-CH2 3.75Å; L127-W160 HydrophobicContact CD1-CZ2 3.67Å; L127-W160 HydrophobicContact CD1-CZ3 4.02Å; L127-W160 HydrophobicContact CG-CE3 4.43Å; L127-W160 PolarHBondContact N-O 2.77Å; L127-W160 WeakPolarHBondContact O-CB 3.38Å; V129-W160 HydrophobicContact CG2-CZ3 4.05Å; I142-W160 HydrophobicContact CB-CB 4.37Å; I142-W160 HydrophobicContact CG1-CB 4.07Å; I142-W160 HydrophobicContact CG2-CB 4.03Å; A146-W160 HydrophobicContact CB-CG 4.05Å
161V98.5Very high92.8Very high7 Ų772.1 Ų72.14%0.04237%0.366CS..EExtended strand (participates in β ladder)trans-108.8123.1-179179.40000109.3R124 R126 Y148 T150 D159 W163R124-V161 HydrophobicContact CB-CG1 4.18Å; R124-V161 HydrophobicContact CG-CG1 4.38Å; R126-V161 HydrophobicContact CG-CG2 4.4Å; Y148-V161 HydrophobicContact CD1-CB 3.99Å; Y148-V161 HydrophobicContact CD1-CG1 4.05Å; Y148-V161 PolarHBondContact O-N 2.99Å; Y148-V161 VanDerWaalsContact O-O 3.11Å; T150-V161 HydrophobicContact CG2-CG2 3.89Å; T150-V161 VanDerWaalsContact OG1-CG2 3.22Å; T150-V161 WeakPolarHBondContact OG1-CG2 3.37Å; D159-V161 PolarHBondContact O-N 3.34Å; V161-W163 PolarHBondContact O-N 3.32Å; V161-W163 VanDerWaalsContact O-N 3.11Å
162H98.6Very high93Very high6 Ų673 Ų733%0.02838%0.378CS..  trans-64.6113.5176.8-177.450.2000110.9V63 V121 R124 T125 L127 D164V63-H162 WeakPolarHBondContact CG1-ND1 3.42Å; V121-H162 HydrophobicContact CG1-CB 4.09Å; R124-H162 PolarHBondContact N-O 2.99Å; T125-H162 PolarHBondContact O-N 3.2Å; L127-H162 HydrophobicContact CD1-CB 3.91Å; L127-H162 HydrophobicContact CG-CB 4.49Å; H162-D164 WeakPolarHBondContact NE2-CB 3.4Å
163W98.4Very high93.5Very high16 Ų1671.2 Ų71.26%0.06137%0.369CS..  trans-105.287.9-178.8-165-97.5000111.8H123 R124 K147 Y148 V161 P165 T250 P251H123-W163 AromaticContact CE1-CD2 3.7Å; H123-W163 AromaticContact CE1-CE3 3.44Å; H123-W163 VanDerWaalsContact CE1-CE3 3.44Å; H123-W163 AromaticContact CE1-CH2 3.85Å; H123-W163 AromaticContact CE1-CZ3 3.54Å; H123-W163 AromaticContact NE2-CZ3 3.93Å; R124-W163 HydrophobicContact CG-CZ3 4.33Å; K147-W163 HydrophobicContact CB-CB 4.24Å; Y148-W163 AromaticContact CD1-CE3 3.65Å; Y148-W163 HydrophobicContact CD1-CE3 3.65Å; Y148-W163 HydrophobicContact CD1-CZ3 4.04Å; Y148-W163 HydrophobicContact CE1-CE3 4.19Å; Y148-W163 HydrophobicContact CE1-CZ3 4.1Å; Y148-W163 HydrophobicContact CG-CE3 4.07Å; V161-W163 PolarHBondContact O-N 3.32Å; V161-W163 VanDerWaalsContact O-N 3.11Å; W163-P165 HydrophobicContact CZ2-CG 4.48Å; W163-T250 VanDerWaalsContact CH2-CB 3.47Å; W163-T250 HydrophobicContact CH2-CG2 3.55Å; W163-T250 HydrophobicContact CZ2-CG2 4.42Å; W163-T250 HydrophobicContact CZ3-CG2 4.08Å; W163-P251 HydrophobicContact CD2-CG 3.93Å; W163-P251 HydrophobicContact CG-CG 4.1Å; W163-P251 HydrophobicContact CZ2-CB 4.47Å; W163-P251 HydrophobicContact CZ2-CG 4.31Å
164D97.5Very high94.5Very high44 Ų4466.9 Ų66.924%0.23536%0.358CS..  trans-127.571.2168.9-173.342.9000110.8R65 H123 H162R65-D164 WeakPolarHBondContact CD-OD2 3.41Å; R65-D164 IonicContact CZ-OD2 3.12Å; R65-D164 IonicContact NE-OD2 2.74Å; R65-D164 IonicContact NH1-OD2 3.2Å; R65-D164 PolarHBondContact NH1-OD2 2.94Å; H123-D164 WeakPolarHBondContact CB-O 3.19Å; H123-D164 PolarHBondContact ND1-N 2.94Å; H162-D164 WeakPolarHBondContact NE2-CB 3.4Å
165P96.6Very high95.4Very high19 Ų1960.9 Ų60.912%0.12333%0.33CS..  trans-60.5136.7-174.926.1-34.4000110.9W163 Q167 P168W163-P165 HydrophobicContact CZ2-CG 4.48Å; P165-Q167 PolarHBondContact O-N 3.34Å; P165-Q167 VanDerWaalsContact O-N 3.16Å; P165-P168 HydrophobicContact CG-CB 4.14Å
166P93.6Very high96.1Very high102 Ų10260.1 Ų60.166%0.66232%0.324SS*.SBendtrans-60.7-26.1178.5-2533.7000114.2
167Q94.6Very high96.8Very high168 Ų16862.8 Ų62.879%0.78533%0.326SS*.SBendtrans-13085.1176.8-63.1-62.4-2600107.3P165P165-Q167 PolarHBondContact O-N 3.34Å; P165-Q167 VanDerWaalsContact O-N 3.16Å
168P94.9Very high97Very high71 Ų7163.3 Ų63.346%0.46133%0.326SS..  trans-65.2148.7177.827.5-33.6000110.4P165 V170P165-P168 HydrophobicContact CG-CB 4.14Å; P168-V170 PolarHBondContact O-N 2.89Å
169Y97.4Very high97.1Very high58 Ų5864.3 Ų64.323%0.22733%0.333CS..  trans-60.4135171.9-173.2-89.1000110.6K255 E256 D259Y169-K255 HydrophobicContact CD1-CB 3.52Å; Y169-K255 HydrophobicContact CD1-CD 4.27Å; Y169-K255 HydrophobicContact CE1-CB 4.11Å; Y169-K255 HydrophobicContact CG-CB 4Å; Y169-K255 HydrophobicContact CG-CD 4.49Å; Y169-E256 HydrophobicContact CD2-CB 4.23Å; Y169-E256 HydrophobicContact CE2-CB 3.66Å; Y169-E256 HydrophobicContact CE2-CG 4.01Å; Y169-D259 HydrophobicContact CE1-CB 4.01Å; Y169-D259 WeakPolarHBondContact CE1-OD2 3.26Å; Y169-D259 WeakPolarHBondContact OH-CB 3.49Å; Y169-D259 PolarHBondContact OH-OD2 2.87Å
170V96.4Very high97.1Very high110 Ų11073.3 Ų73.367%0.66737%0.371SS*.  trans-111.3120.1177.7179.70000108.4P168 I172P168-V170 PolarHBondContact O-N 2.89Å; V170-I172 WeakPolarHBondContact O-CG1 3.35Å; V170-I172 PolarHBondContact O-N 3.32Å
171Q94.5Very high97.1Very high57 Ų5776.8 Ų76.827%0.26640%0.396SS..  trans-56.4129.1176.5-167.773.511.100111.2H173 D259Q171-H173 PolarHBondContact NE2-O 3.19Å; Q171-D259 PolarHBondContact NE2-OD1 3.35Å; Q171-D259 VanDerWaalsContact NE2-OD1 3.13Å
172I97.7Very high97.1Very high124 Ų12477.7 Ų77.764%0.63640%0.4SS*.  trans-102.1-44.5-177.1-57.1174.1000111.1V170 D259V170-I172 WeakPolarHBondContact O-CG1 3.35Å; V170-I172 PolarHBondContact O-N 3.32Å; I172-D259 WeakPolarHBondContact CB-OD2 3.5Å; I172-D259 PolarHBondContact N-OD1 3.11Å; I172-D259 PolarHBondContact N-OD2 3.03Å
173H98.6Very high97.1Very high67 Ų6783.3 Ų83.331%0.3142%0.421SS..SBendtrans-98.9139.8-173.1-50.487.5000111.2Q171 D259 H262 S263Q171-H173 PolarHBondContact NE2-O 3.19Å; H173-D259 WeakPolarHBondContact CA-OD1 3.42Å; H173-D259 WeakPolarHBondContact CB-OD1 3.5Å; H173-D259 IonicContact CE1-OD1 2.67Å; H173-D259 IonicContact CG-OD1 2.79Å; H173-D259 PolarHBondContact N-OD1 3.06Å; H173-D259 PolarHBondContact ND1-O 2.97Å; H173-D259 IonicContact ND1-OD1 3.18Å; H173-D259 PolarHBondContact ND1-OD1 2.91Å; H173-D259 IonicContact ND1-OD2 2.73Å; H173-H262 HydrophobicContact CB-CB 4.08Å; H173-S263 VanDerWaalsContact CD2-CB 3.4Å; H173-S263 WeakPolarHBondContact CD2-CB 3.45Å; H173-S263 WeakPolarHBondContact NE2-CB 3.43Å
174P97.4Very high97.1Very high108 Ų10884.2 Ų84.270%0.70143%0.427SS*.PPolyproline II helixtrans-72.4156.9174.132.7-35.4000110.5
175R98.2Very high97.2Very high82 Ų8284.8 Ų84.831%0.30943%0.426SS..PPolyproline II helixtrans-53.2133.6170.2-63172.8171.2-798.6110.8M331 C335 F336 D337R175-M331 PolarHBondContact NH2-O 3.43Å; R175-C335 PolarHBondContact NH1-O 3.08Å; R175-C335 VanDerWaalsContact NH2-C 3.29Å; R175-C335 VanDerWaalsContact NH2-CA 3.33Å; R175-C335 PolarHBondContact NH2-O 3.28Å; R175-F336 PolarHBondContact NH1-O 3.15Å; R175-F336 PolarHBondContact NH2-O 2.91Å; R175-D337 WeakPolarHBondContact CG-OD1 3.44Å; R175-D337 IonicContact CZ-OD1 3.8Å; R175-D337 VanDerWaalsContact NH1-CA 3.32Å; R175-D337 IonicContact NH1-OD1 3.84Å; R175-D337 PolarHBondContact NH1-OD1 3.41Å
176P97.7Very high97.3Very high23 Ų2387 Ų8715%0.14944%0.435CS..PPolyproline II helixtrans-61.3154.3169.9-20.532.6000111H262 V267P176-H262 VanDerWaalsContact CD-CD2 3.43Å; P176-H262 WeakPolarHBondContact CD-CD2 3.48Å; P176-H262 HydrophobicContact CG-CB 4.39Å; P176-V267 HydrophobicContact CB-CG1 3.94Å; P176-V267 HydrophobicContact CG-CG1 4.28Å
177K96.6Very high97.5Very high182 Ų18282.5 Ų82.579%0.79141%0.407SS*.PPolyproline II helixtrans-65.6143.8173.1-65.8-173.7178.3-175.90110.4P179K177-P179 VanDerWaalsContact O-CD 3.3Å; K177-P179 WeakPolarHBondContact O-CD 3.31Å; K177-P179 VanDerWaalsContact O-N 3.13Å
178K97.9Very high97.7Very high60 Ų6074.9 Ų74.926%0.26137%0.371SS..PPolyproline II helixtrans-49.4118.2173.4-173.8168.5-173.1155.10110.8D391 C392 I393 D417K178-D391 HydrophobicContact CB-CB 4.04Å; K178-C392 PolarHBondContact NZ-O 3.4Å; K178-I393 HydrophobicContact CD-CG1 4.29Å; K178-I393 HydrophobicContact CG-CD1 4.29Å; K178-I393 HydrophobicContact CG-CG1 4.23Å; K178-D417 IonicContact NZ-OD1 2.96Å; K178-D417 PolarHBondContact NZ-OD1 3.47Å; K178-D417 IonicContact NZ-OD2 3.76Å; K178-D417 PolarHBondContact NZ-OD2 3.27Å
179P97.9Very high97.9Very high24 Ų2471.5 Ų71.516%0.15635%0.349CS..PPolyproline II helixtrans-66.4147.2-179.5-21.832.8000112.1K177 S181 L182 N218 V267K177-P179 VanDerWaalsContact O-CD 3.3Å; K177-P179 WeakPolarHBondContact O-CD 3.31Å; K177-P179 VanDerWaalsContact O-N 3.13Å; P179-S181 PolarHBondContact O-N 2.88Å; P179-L182 HydrophobicContact CB-CD2 4.29Å; P179-L182 HydrophobicContact CG-CD2 4.08Å; P179-N218 VanDerWaalsContact CB-ND2 3.29Å; P179-N218 WeakPolarHBondContact CB-ND2 3.47Å; P179-V267 HydrophobicContact CG-CG1 4.27Å; P179-V267 HydrophobicContact CG-CG2 4.25Å
180K97.3Very high97.9Very high209 Ų20968.8 Ų68.891%0.90934%0.339SS*.SBendtrans-59.6-31.1174.7-69.6-177.1176.6-179.40113.2
181S98.3Very high98Very high76 Ų7668.6 Ų68.653%0.53133%0.333SS..SBendtrans-149.6141175.6-50.60000108.6P179 N218P179-S181 PolarHBondContact O-N 2.88Å; S181-N218 PolarHBondContact O-ND2 2.68Å
182L98.8Very high98.1Very high26 Ų2667 Ų6714%0.13633%0.331CS..  trans-88.6131.9-178.6-60.6175000110.5P179 I184 C219 V267 I393 Y418 I459P179-L182 HydrophobicContact CB-CD2 4.29Å; P179-L182 HydrophobicContact CG-CD2 4.08Å; L182-I184 HydrophobicContact CB-CD1 4.09Å; L182-I184 HydrophobicContact CB-CG1 3.77Å; L182-I184 HydrophobicContact CD1-CD1 4.16Å; L182-C219 HydrophobicContact CD2-CB 4.13Å; L182-V267 HydrophobicContact CD2-CG2 4.45Å; L182-I393 HydrophobicContact CD1-CD1 4.32Å; L182-I393 HydrophobicContact CD1-CG2 3.76Å; L182-I393 HydrophobicContact CD2-CD1 3.81Å; L182-Y418 HydrophobicContact CD1-CD2 3.95Å; L182-Y418 HydrophobicContact CD1-CE2 3.51Å; L182-Y418 HydrophobicContact CG-CE2 4.33Å; L182-I459 HydrophobicContact CB-CD1 4.24Å; L182-I459 HydrophobicContact CD1-CD1 4.28Å
183R98.8Very high98Very high124 Ų12462.2 Ų62.247%0.46831%0.309SS..  trans-119.999.2164.3-65.4177.5-57-68.2-1.8104.5G216 Y217 N218 C219R183-G216 PolarHBondContact NE-O 3.25Å; R183-G216 PolarHBondContact NH2-O 3.45Å; R183-G216 VanDerWaalsContact NH2-O 3.17Å; R183-Y217 HydrophobicContact CB-CD1 4.16Å; R183-Y217 WeakPolarHBondContact O-CD1 3.44Å; R183-N218 PolarHBondContact N-OD1 2.7Å; R183-N218 PolarHBondContact NH1-ND2 3.44Å; R183-N218 PolarHBondContact NH2-ND2 3.01Å; R183-N218 PolarHBondContact O-N 2.8Å; R183-N218 VanDerWaalsContact O-N 3.14Å; R183-N218 PolarHBondContact O-OD1 3.13Å; R183-C219 PolarHBondContact O-N 3.33Å
184I98.9Very high97.9Very high34 Ų3465.6 Ų65.617%0.17434%0.337CS..EExtended strand (participates in β ladder)trans-96.4125-167.8-51.5-176000109.2L182 Y217 C219 Q221 I395 I459L182-I184 HydrophobicContact CB-CD1 4.09Å; L182-I184 HydrophobicContact CB-CG1 3.77Å; L182-I184 HydrophobicContact CD1-CD1 4.16Å; I184-Y217 WeakPolarHBondContact O-CD1 3.49Å; I184-Y217 WeakPolarHBondContact O-CE1 3.29Å; I184-C219 CarbonylContact C-O 3.59Å; I184-C219 WeakPolarHBondContact CA-O 3.41Å; I184-C219 HydrophobicContact CB-CB 4.42Å; I184-C219 HydrophobicContact CG1-CB 3.98Å; I184-Q221 HydrophobicContact CG2-CB 3.57Å; I184-I395 HydrophobicContact CD1-CD1 3.64Å; I184-I459 HydrophobicContact CD1-CD1 4Å; I184-I459 HydrophobicContact CD1-CG1 4.06Å; I184-I459 HydrophobicContact CD1-CG2 4.16Å
185Y98.9Very high97.9Very high56 Ų5665.2 Ų65.222%0.2233%0.326CS..EExtended strand (participates in β ladder)trans-94.9103.8166-164.7-75.7000107.6A187 I212 L215 Y217 C219 I220 Q221Y185-A187 HydrophobicContact CD1-CB 4.08Å; Y185-A187 HydrophobicContact CE1-CB 4.23Å; Y185-I212 HydrophobicContact CD1-CD1 3.54Å; Y185-I212 HydrophobicContact CD1-CG1 3.78Å; Y185-I212 HydrophobicContact CD2-CG1 3.89Å; Y185-I212 HydrophobicContact CD2-CG2 4.39Å; Y185-I212 HydrophobicContact CE1-CD1 3.99Å; Y185-I212 HydrophobicContact CE1-CG1 4.05Å; Y185-I212 HydrophobicContact CE2-CG1 4.14Å; Y185-I212 HydrophobicContact CG-CB 4.47Å; Y185-I212 HydrophobicContact CG-CD1 3.85Å; Y185-I212 HydrophobicContact CG-CG1 3.69Å; Y185-I212 HydrophobicContact CG-CG2 4.1Å; Y185-L215 HydrophobicContact CE2-CD1 4.09Å; Y185-Y217 HydrophobicContact CD2-CD1 4.41Å; Y185-Y217 AromaticContact CD2-CD2 3.73Å; Y185-Y217 HydrophobicContact CD2-CD2 3.73Å; Y185-Y217 HydrophobicContact CD2-CE1 4.38Å; Y185-Y217 AromaticContact CD2-CE2 3.69Å; Y185-Y217 HydrophobicContact CD2-CE2 3.69Å; Y185-Y217 HydrophobicContact CD2-CG 4.11Å; Y185-Y217 HydrophobicContact CE2-CE2 4.36Å; Y185-Y217 HydrophobicContact CG-CG 4.5Å; Y185-C219 PolarHBondContact N-O 3.15Å; Y185-I220 WeakPolarHBondContact O-CA 3.43Å; Y185-Q221 PolarHBondContact O-N 3.39Å
186E98.9Very high97.8Very high65 Ų6568.2 Ų68.230%0.30436%0.356SS..EExtended strand (participates in β ladder)trans-75.7132.8174-175.2177.2-120.500110.2Q221 M223 R340 H465E186-Q221 HydrophobicContact CB-CB 4.31Å; E186-Q221 HydrophobicContact CG-CB 4.32Å; E186-Q221 HydrophobicContact CG-CG 4.41Å; E186-M223 HydrophobicContact CG-CG 4Å; E186-M223 HydrophobicContact CG-SD 3.6Å; E186-M223 VanDerWaalsContact CG-SD 3.6Å; E186-R340 IonicContact OE1-CZ 2.68Å; E186-R340 IonicContact OE1-NH1 3.33Å; E186-R340 PolarHBondContact OE1-NH1 3.04Å; E186-R340 IonicContact OE1-NH2 3.95Å; E186-R340 PolarHBondContact OE1-NH2 3.2Å; E186-H465 IonicContact OE1-CE1 3.77Å; E186-H465 PolarHBondContact OE1-CE1 3.27Å; E186-H465 IonicContact OE1-ND1 4Å; E186-H465 PolarHBondContact OE1-ND1 3.28Å; E186-H465 IonicContact OE2-CE1 3.18Å; E186-H465 IonicContact OE2-CG 2.8Å; E186-H465 IonicContact OE2-ND1 3.39Å; E186-H465 PolarHBondContact OE2-ND1 2.99Å
187A98.6Very high97.8Very high9 Ų973 Ų737%0.07437%0.374CS..EExtended strand (participates in β ladder)trans-147.4145.3-172.500000113.2Y185 F204 Q221 L222 M223Y185-A187 HydrophobicContact CD1-CB 4.08Å; Y185-A187 HydrophobicContact CE1-CB 4.23Å; A187-F204 HydrophobicContact CB-CE2 3.7Å; A187-F204 HydrophobicContact CB-CZ 3.56Å; A187-Q221 PolarHBondContact N-O 3.49Å; A187-L222 HydrophobicContact CB-CD1 4.45Å; A187-M223 PolarHBondContact O-N 3.14Å
188H98.6Very high97.8Very high8 Ų867.8 Ų67.84%0.03735%0.354CS..EExtended strand (participates in β ladder)trans-116.8119.3167.4175.2-54.6000108.9G190 I191 G192 A224 Y231 F234 Y248H188-G190 PolarHBondContact CE1-N 3.43Å; H188-G190 PolarHBondContact ND1-N 2.98Å; H188-G190 PolarHBondContact O-N 2.83Å; H188-I191 HydrophobicContact CB-CD1 4.17Å; H188-I191 HydrophobicContact CB-CG1 3.89Å; H188-I191 PolarHBondContact ND1-N 2.74Å; H188-I191 PolarHBondContact O-N 3.45Å; H188-G192 PolarHBondContact O-N 2.84Å; H188-A224 VanDerWaalsContact CD2-CB 3.44Å; H188-A224 WeakPolarHBondContact CD2-CB 3.4Å; H188-A224 WeakPolarHBondContact NE2-CB 3.12Å; H188-Y231 AromaticContact CE1-CE2 3.62Å; H188-Y231 AromaticContact CE1-CZ 3.91Å; H188-Y231 PolarHBondContact CE1-OH 3.35Å; H188-Y231 AromaticContact NE2-CE2 3.77Å; H188-F234 HydrophobicContact CB-CE2 3.92Å; H188-F234 HydrophobicContact CB-CZ 3.83Å; H188-F234 AromaticContact CD2-CD2 3.57Å; H188-F234 AromaticContact CD2-CE2 3.38Å; H188-F234 WeakPolarHBondContact CD2-CE2 3.27Å; H188-F234 AromaticContact CD2-CZ 4Å; H188-F234 AromaticContact CG-CE2 3.73Å; H188-Y248 AromaticContact CE1-CE1 3.87Å; H188-Y248 AromaticContact CE1-CZ 3.83Å; H188-Y248 PolarHBondContact CE1-OH 3.49Å; H188-Y248 PolarHBondContact NE2-OH 3.48Å
189V98.8Very high97.8Very high0 Ų065 Ų650%034%0.343CS..G310 helixtrans-56.4-50.5-173.4175.40000112.4I191 G192 A199 Y201 F204 L222 I225 Y248 L257V189-I191 PolarHBondContact O-N 3.35Å; V189-I191 VanDerWaalsContact O-N 3.1Å; V189-G192 PolarHBondContact O-N 2.91Å; V189-A199 WeakPolarHBondContact O-CB 3.39Å; V189-Y201 HydrophobicContact CB-CD1 4.43Å; V189-Y201 HydrophobicContact CB-CE1 4.49Å; V189-Y201 HydrophobicContact CG1-CD1 3.87Å; V189-Y201 HydrophobicContact CG1-CE1 4.32Å; V189-Y201 HydrophobicContact CG2-CD1 4.02Å; V189-Y201 HydrophobicContact CG2-CE1 4.09Å; V189-F204 HydrophobicContact CG1-CB 4.16Å; V189-F204 HydrophobicContact CG2-CD2 4.29Å; V189-F204 HydrophobicContact CG2-CG 4.33Å; V189-L222 HydrophobicContact CG2-CD1 3.86Å; V189-L222 HydrophobicContact CG2-CG 4.35Å; V189-I225 HydrophobicContact CG2-CD1 4.26Å; V189-Y248 HydrophobicContact CB-CD1 4.38Å; V189-Y248 HydrophobicContact CB-CD2 4.06Å; V189-Y248 HydrophobicContact CB-CE2 4.47Å; V189-Y248 HydrophobicContact CB-CG 4.02Å; V189-Y248 HydrophobicContact CG1-CD1 4.27Å; V189-Y248 HydrophobicContact CG1-CD2 4.28Å; V189-Y248 HydrophobicContact CG1-CG 3.83Å; V189-L257 HydrophobicContact CG2-CD1 4.36Å
190G98.2Very high97.9Very high1 Ų166 Ų661%0.0135%0.35CS..G310 helixtrans-61.8-19.9-17400000116.4H188 I198 A199H188-G190 PolarHBondContact CE1-N 3.43Å; H188-G190 PolarHBondContact ND1-N 2.98Å; H188-G190 PolarHBondContact O-N 2.83Å; G190-I198 WeakPolarHBondContact O-CA 3.34Å; G190-A199 PolarHBondContact O-N 3.42Å
191I97.4Very high98Very high105 Ų10556 Ų5654%0.53831%0.306SS..G310 helixtrans-108.29.8175.664170.5000112.2H188 V189 S193 F234H188-I191 HydrophobicContact CB-CD1 4.17Å; H188-I191 HydrophobicContact CB-CG1 3.89Å; H188-I191 PolarHBondContact ND1-N 2.74Å; H188-I191 PolarHBondContact O-N 3.45Å; V189-I191 PolarHBondContact O-N 3.35Å; V189-I191 VanDerWaalsContact O-N 3.1Å; I191-S193 PolarHBondContact O-N 3.1Å; I191-F234 HydrophobicContact CD1-CE2 3.97Å; I191-F234 HydrophobicContact CD1-CZ 4.23Å
192G96.1Very high98Very high23 Ų2354.4 Ų54.424%0.23729%0.292CS..  trans-7929.8179.800000114.5H188 V189 N203 V208H188-G192 PolarHBondContact O-N 2.84Å; V189-G192 PolarHBondContact O-N 2.91Å; G192-N203 PolarHBondContact O-ND2 2.98Å; G192-V208 WeakPolarHBondContact O-CG2 2.99Å
193S97.1Very high98Very high24 Ų2454.7 Ų54.717%0.16829%0.293CS..SBendtrans-142.5147.1178.4179.40000110.4I191 E195I191-S193 PolarHBondContact O-N 3.1Å; S193-E195 PolarHBondContact O-N 2.92Å; S193-E195 PolarHBondContact OG-N 2.88Å
194P96.6Very high98Very high138 Ų13848.9 Ų48.990%0.89627%0.272SS*.SBendtrans-70.3-13.9170.931-37.4000113.2
195E97.1Very high98Very high101 Ų10147.4 Ų47.447%0.47226%0.264SS..SBendtrans-74.2140.6178.4-66.8-173.3-133.100111.3S193 K197S193-E195 PolarHBondContact O-N 2.92Å; S193-E195 PolarHBondContact OG-N 2.88Å; E195-K197 HydrophobicContact CB-CD 4.27Å; E195-K197 HydrophobicContact CB-CG 4Å; E195-K197 PolarHBondContact O-N 3.16Å; E195-K197 IonicContact OE1-NZ 2.8Å; E195-K197 PolarHBondContact OE1-NZ 2.91Å; E195-K197 WeakPolarHBondContact OE2-CD 3.33Å; E195-K197 WeakPolarHBondContact OE2-CE 3.22Å; E195-K197 IonicContact OE2-NZ 3.23Å; E195-K197 PolarHBondContact OE2-NZ 3.21Å
196P96.3Very high97.9Very high144 Ų14450.2 Ų50.294%0.93528%0.279SS*.SBendtrans-77.654.9179.634.7-37.5000111.7
197K96.2Very high97.9Very high125 Ų12552.1 Ų52.154%0.54329%0.291SS..SBendtrans-145.6162.2178.773.2-173.6-171.1-163.20109.5E195 A199E195-K197 HydrophobicContact CB-CD 4.27Å; E195-K197 HydrophobicContact CB-CG 4Å; E195-K197 PolarHBondContact O-N 3.16Å; E195-K197 IonicContact OE1-NZ 2.8Å; E195-K197 PolarHBondContact OE1-NZ 2.91Å; E195-K197 WeakPolarHBondContact OE2-CD 3.33Å; E195-K197 WeakPolarHBondContact OE2-CE 3.22Å; E195-K197 IonicContact OE2-NZ 3.23Å; E195-K197 PolarHBondContact OE2-NZ 3.21Å; K197-A199 PolarHBondContact O-N 3.03Å
198I97.5Very high97.9Very high71 Ų7152.5 Ų52.536%0.36429%0.293SS..PPolyproline II helixtrans-66.1117.8173-61.1167.3000108.6G190 Y231 R247 Y248G190-I198 WeakPolarHBondContact O-CA 3.34Å; I198-Y231 HydrophobicContact CD1-CE1 4.41Å; I198-Y231 HydrophobicContact CG1-CE1 4.04Å; I198-R247 HydrophobicContact CD1-CG 4.39Å; I198-R247 HydrophobicContact CG2-CB 4.11Å; I198-Y248 HydrophobicContact CG2-CD1 3.78Å; I198-Y248 HydrophobicContact CG2-CE1 4.07Å
199A98.6Very high97.9Very high3 Ų352.1 Ų52.13%0.02529%0.291CS..PPolyproline II helixtrans-76.715417600000112.1V189 G190 K197V189-A199 WeakPolarHBondContact O-CB 3.39Å; G190-A199 PolarHBondContact O-N 3.42Å; K197-A199 PolarHBondContact O-N 3.03Å
200S98.8Very high97.9Very high43 Ų4354.3 Ų54.330%0.30131%0.305SS..PPolyproline II helixtrans-95.3164.7-177.463.60000113.5N202 N203 F204 Y248S200-N202 VanDerWaalsContact C-N 3.32Å; S200-N202 PolarHBondContact O-N 3.47Å; S200-N203 WeakPolarHBondContact O-CB 3.17Å; S200-N203 PolarHBondContact O-N 3.27Å; S200-N203 PolarHBondContact OG-N 2.76Å; S200-N203 VanDerWaalsContact OG-N 3.14Å; S200-F204 PolarHBondContact O-N 2.99Å; S200-Y248 CarbonylContact C-O 3.5Å; S200-Y248 WeakPolarHBondContact CA-O 3.38Å; S200-Y248 WeakPolarHBondContact CB-O 3.34Å
201Y98.9Very high98Very high0 Ų061.8 Ų61.80%033%0.333CS..Hα-helixtrans-53.6-49.2168.5-66.7-53.2000110.7V189 N203 F204 T205 I225 S245 Y248 E253 L254 L257V189-Y201 HydrophobicContact CB-CD1 4.43Å; V189-Y201 HydrophobicContact CB-CE1 4.49Å; V189-Y201 HydrophobicContact CG1-CD1 3.87Å; V189-Y201 HydrophobicContact CG1-CE1 4.32Å; V189-Y201 HydrophobicContact CG2-CD1 4.02Å; V189-Y201 HydrophobicContact CG2-CE1 4.09Å; Y201-N203 VanDerWaalsContact C-N 3.31Å; Y201-N203 PolarHBondContact O-N 2.86Å; Y201-F204 CarbonylContact O-C 3.57Å; Y201-F204 WeakPolarHBondContact O-CA 3.38Å; Y201-F204 WeakPolarHBondContact O-CB 3.26Å; Y201-F204 PolarHBondContact O-N 3.3Å; Y201-T205 PolarHBondContact O-N 2.96Å; Y201-T205 PolarHBondContact O-OG1 3.29Å; Y201-I225 HydrophobicContact CE1-CD1 3.72Å; Y201-S245 PolarHBondContact OH-N 3.32Å; Y201-S245 PolarHBondContact OH-O 3.08Å; Y201-Y248 HydrophobicContact CD1-CD2 4.47Å; Y201-Y248 WeakPolarHBondContact CD2-O 3.47Å; Y201-Y248 AromaticContact CE1-CD2 3.61Å; Y201-Y248 HydrophobicContact CE1-CD2 3.61Å; Y201-Y248 HydrophobicContact CE1-CG 4.15Å; Y201-Y248 HydrophobicContact CE2-CD2 4.4Å; Y201-Y248 AromaticContact CZ-CD2 3.59Å; Y201-Y248 PolarHBondContact N-O 2.86Å; Y201-Y248 WeakPolarHBondContact OH-CD2 3.36Å; Y201-E253 HydrophobicContact CD2-CB 4.15Å; Y201-L254 HydrophobicContact CD1-CB 4.34Å; Y201-L254 HydrophobicContact CD1-CD1 4.02Å; Y201-L254 HydrophobicContact CD2-CB 4.11Å; Y201-L254 HydrophobicContact CE1-CB 4.15Å; Y201-L254 HydrophobicContact CE1-CD1 3.71Å; Y201-L254 HydrophobicContact CE1-CG 4.34Å; Y201-L254 HydrophobicContact CE2-CB 3.9Å; Y201-L254 HydrophobicContact CG-CB 4.33Å; Y201-L257 HydrophobicContact CD1-CD1 3.81Å; Y201-L257 HydrophobicContact CG-CD1 4.47Å
202N98.6Very high98Very high42 Ų4256.8 Ų56.823%0.22531%0.308CS..Hα-helixtrans-61.1-38179.4-57.1-12.9000112.5S200 F204 T205 H206 E253S200-N202 VanDerWaalsContact C-N 3.32Å; S200-N202 PolarHBondContact O-N 3.47Å; N202-F204 VanDerWaalsContact C-N 3.33Å; N202-T205 PolarHBondContact O-N 3.28Å; N202-H206 PolarHBondContact O-CD2 3.07Å; N202-H206 PolarHBondContact O-N 3.32Å; N202-E253 PolarHBondContact ND2-OE1 2.9Å; N202-E253 WeakPolarHBondContact OD1-CB 3.29Å; N202-E253 WeakPolarHBondContact OD1-CG 3.34Å
203N98.6Very high98.2Very high32 Ų3260.4 Ų60.417%0.17132%0.317CS..Hα-helixtrans-60.4-45.9172.9170.780.9000110.9G192 S200 Y201 H206 N207G192-N203 PolarHBondContact O-ND2 2.98Å; S200-N203 WeakPolarHBondContact O-CB 3.17Å; S200-N203 PolarHBondContact O-N 3.27Å; S200-N203 PolarHBondContact OG-N 2.76Å; S200-N203 VanDerWaalsContact OG-N 3.14Å; Y201-N203 VanDerWaalsContact C-N 3.31Å; Y201-N203 PolarHBondContact O-N 2.86Å; N203-H206 PolarHBondContact O-N 3.17Å; N203-N207 VanDerWaalsContact O-CB 3.25Å; N203-N207 WeakPolarHBondContact O-CB 3.23Å; N203-N207 PolarHBondContact O-N 3.27Å; N203-N207 PolarHBondContact OD1-ND2 2.98Å
204F98.8Very high98.2Very high3 Ų366 Ų661%0.01334%0.344CS..Iπ-helixtrans-61.5-45.4177.5-164.7-86.2000111.5A187 V189 S200 Y201 N202 H206 V208 L209 I212 L222 L257A187-F204 HydrophobicContact CB-CE2 3.7Å; A187-F204 HydrophobicContact CB-CZ 3.56Å; V189-F204 HydrophobicContact CG1-CB 4.16Å; V189-F204 HydrophobicContact CG2-CD2 4.29Å; V189-F204 HydrophobicContact CG2-CG 4.33Å; S200-F204 PolarHBondContact O-N 2.99Å; Y201-F204 CarbonylContact O-C 3.57Å; Y201-F204 WeakPolarHBondContact O-CA 3.38Å; Y201-F204 WeakPolarHBondContact O-CB 3.26Å; Y201-F204 PolarHBondContact O-N 3.3Å; N202-F204 VanDerWaalsContact C-N 3.33Å; F204-H206 PolarHBondContact O-N 2.98Å; F204-V208 HydrophobicContact CD1-CB 4.28Å; F204-V208 HydrophobicContact CD2-CB 3.78Å; F204-V208 HydrophobicContact CD2-CG1 3.94Å; F204-V208 HydrophobicContact CD2-CG2 3.85Å; F204-V208 HydrophobicContact CE1-CB 4.41Å; F204-V208 HydrophobicContact CE1-CG1 4.31Å; F204-V208 HydrophobicContact CE2-CB 3.9Å; F204-V208 HydrophobicContact CE2-CG1 3.52Å; F204-V208 HydrophobicContact CE2-CG2 4.26Å; F204-V208 HydrophobicContact CG-CB 3.98Å; F204-V208 HydrophobicContact CG-CG1 4.49Å; F204-V208 HydrophobicContact CG-CG2 4.28Å; F204-V208 HydrophobicContact CZ-CB 4.22Å; F204-V208 HydrophobicContact CZ-CG1 3.73Å; F204-V208 WeakPolarHBondContact O-CA 3.49Å; F204-V208 WeakPolarHBondContact O-CB 2.96Å; F204-V208 PolarHBondContact O-N 3.48Å; F204-L209 HydrophobicContact CD1-CD2 3.98Å; F204-L209 HydrophobicContact CD1-CG 4.2Å; F204-L209 HydrophobicContact CE1-CD2 3.65Å; F204-L209 HydrophobicContact CE1-CG 4.33Å; F204-L209 PolarHBondContact O-N 3.02Å; F204-I212 HydrophobicContact CE1-CD1 4.25Å; F204-I212 HydrophobicContact CZ-CD1 3.9Å; F204-L222 HydrophobicContact CE1-CD1 4.28Å; F204-L222 HydrophobicContact CZ-CD1 4.22Å; F204-L257 HydrophobicContact CB-CD1 4.04Å; F204-L257 HydrophobicContact CD1-CD1 3.73Å; F204-L257 HydrophobicContact CD1-CD2 4.28Å; F204-L257 HydrophobicContact CD1-CG 4.09Å; F204-L257 HydrophobicContact CG-CD1 4.17Å
205T98.8Very high98.3Very high2 Ų264.1 Ų64.11%0.01233%0.326CS..Iπ-helixtrans-55.5-49.9177.6-56.40000112.1Y201 N202 L209 L257 V260Y201-T205 PolarHBondContact O-N 2.96Å; Y201-T205 PolarHBondContact O-OG1 3.29Å; N202-T205 PolarHBondContact O-N 3.28Å; T205-L209 HydrophobicContact CG2-CD1 4.19Å; T205-L209 WeakPolarHBondContact O-CB 3.32Å; T205-L257 VanDerWaalsContact OG1-CA 3.31Å; T205-L257 WeakPolarHBondContact OG1-CA 3.47Å; T205-L257 VanDerWaalsContact OG1-CB 3.3Å; T205-L257 WeakPolarHBondContact OG1-CB 3.36Å; T205-V260 HydrophobicContact CG2-CB 3.77Å; T205-V260 HydrophobicContact CG2-CG1 3.81Å; T205-V260 HydrophobicContact CG2-CG2 3.79Å
206H98.4Very high98.4Very high116 Ų11661.1 Ų61.154%0.53732%0.323SS..Iπ-helixtrans-87-29.9-172.7-61.1-49.5000114.1N202 N203 F204 P210N202-H206 PolarHBondContact O-CD2 3.07Å; N202-H206 PolarHBondContact O-N 3.32Å; N203-H206 PolarHBondContact O-N 3.17Å; F204-H206 PolarHBondContact O-N 2.98Å; H206-P210 WeakPolarHBondContact O-CG 3.48Å
207N98.3Very high98.5Very high105 Ų10558.5 Ų58.556%0.56130%0.295SS*.Iπ-helixtrans-111.2-26.7-170.4-58.2-40.8000113.6N203N203-N207 VanDerWaalsContact O-CB 3.25Å; N203-N207 WeakPolarHBondContact O-CB 3.23Å; N203-N207 PolarHBondContact O-N 3.27Å; N203-N207 PolarHBondContact OD1-ND2 2.98Å
208V98.8Very high98.7Very high17 Ų1753.5 Ų53.510%0.10327%0.274CS..Iπ-helixtrans-102.8-43.8-175.1-172.60000111.7G192 F204 R211 I212G192-V208 WeakPolarHBondContact O-CG2 2.99Å; F204-V208 HydrophobicContact CD1-CB 4.28Å; F204-V208 HydrophobicContact CD2-CB 3.78Å; F204-V208 HydrophobicContact CD2-CG1 3.94Å; F204-V208 HydrophobicContact CD2-CG2 3.85Å; F204-V208 HydrophobicContact CE1-CB 4.41Å; F204-V208 HydrophobicContact CE1-CG1 4.31Å; F204-V208 HydrophobicContact CE2-CB 3.9Å; F204-V208 HydrophobicContact CE2-CG1 3.52Å; F204-V208 HydrophobicContact CE2-CG2 4.26Å; F204-V208 HydrophobicContact CG-CB 3.98Å; F204-V208 HydrophobicContact CG-CG1 4.49Å; F204-V208 HydrophobicContact CG-CG2 4.28Å; F204-V208 HydrophobicContact CZ-CB 4.22Å; F204-V208 HydrophobicContact CZ-CG1 3.73Å; F204-V208 WeakPolarHBondContact O-CA 3.49Å; F204-V208 WeakPolarHBondContact O-CB 2.96Å; F204-V208 PolarHBondContact O-N 3.48Å; V208-R211 WeakPolarHBondContact O-CB 3.19Å; V208-R211 PolarHBondContact O-N 3.32Å; V208-R211 VanDerWaalsContact O-N 3.07Å; V208-I212 HydrophobicContact CG1-CD1 3.87Å; V208-I212 HydrophobicContact CG1-CG1 4.15Å; V208-I212 WeakPolarHBondContact O-CG1 3.45Å; V208-I212 PolarHBondContact O-N 2.95Å
209L98.9Very high98.7Very high0 Ų050.1 Ų50.10%026%0.257CS..Hα-helixtrans-55.1-44.2178.7-63.8-177.8000113.7F204 T205 R211 I212 K213 I220 V260 A261 M264F204-L209 HydrophobicContact CD1-CD2 3.98Å; F204-L209 HydrophobicContact CD1-CG 4.2Å; F204-L209 HydrophobicContact CE1-CD2 3.65Å; F204-L209 HydrophobicContact CE1-CG 4.33Å; F204-L209 PolarHBondContact O-N 3.02Å; T205-L209 HydrophobicContact CG2-CD1 4.19Å; T205-L209 WeakPolarHBondContact O-CB 3.32Å; L209-R211 VanDerWaalsContact C-N 3.29Å; L209-R211 PolarHBondContact O-N 3.16Å; L209-I212 PolarHBondContact O-N 3.47Å; L209-K213 PolarHBondContact O-N 2.87Å; L209-I220 HydrophobicContact CD2-CD1 3.33Å; L209-V260 HydrophobicContact CD1-CB 4.12Å; L209-V260 HydrophobicContact CD1-CG1 3.82Å; L209-A261 HydrophobicContact CD1-CB 4.13Å; L209-A261 HydrophobicContact CD2-CB 4.14Å; L209-M264 HydrophobicContact CB-CE 4.2Å; L209-M264 HydrophobicContact CB-SD 3.98Å
210P98.8Very high98.7Very high46 Ų4650 Ų5030%0.29926%0.256SS..Hα-helixtrans-59.3-41176.8-2536.1000112.4H206 K213 D214 M264H206-P210 WeakPolarHBondContact O-CG 3.48Å; P210-K213 WeakPolarHBondContact O-CB 3.18Å; P210-K213 PolarHBondContact O-N 3.45Å; P210-D214 WeakPolarHBondContact O-CB 3.5Å; P210-D214 PolarHBondContact O-N 2.86Å; P210-M264 HydrophobicContact CG-CE 4.4Å
211R98.8Very high98.8Very high158 Ų15848.1 Ų48.160%0.59624%0.242SC*.Hα-helixtrans-62.8-44.6176.8179.6-179.8-179.4-178.9-1111.9V208 L209 K213 D214 L215V208-R211 WeakPolarHBondContact O-CB 3.19Å; V208-R211 PolarHBondContact O-N 3.32Å; V208-R211 VanDerWaalsContact O-N 3.07Å; L209-R211 VanDerWaalsContact C-N 3.29Å; L209-R211 PolarHBondContact O-N 3.16Å; R211-K213 VanDerWaalsContact C-N 3.29Å; R211-K213 PolarHBondContact O-N 3.48Å; R211-D214 PolarHBondContact O-N 2.84Å; R211-L215 HydrophobicContact CG-CD1 4.03Å; R211-L215 WeakPolarHBondContact O-CB 3.42Å; R211-L215 VanDerWaalsContact O-CG 3.31Å; R211-L215 WeakPolarHBondContact O-CG 3.4Å; R211-L215 PolarHBondContact O-N 3.32Å
212I98.8Very high98.7Very high0 Ų048.1 Ų48.10%024%0.242CC..Hα-helixtrans-59.7-44.9178.6-66.3176.5000110Y185 F204 V208 L209 L215 G216 Y217 I220 I266Y185-I212 HydrophobicContact CD1-CD1 3.54Å; Y185-I212 HydrophobicContact CD1-CG1 3.78Å; Y185-I212 HydrophobicContact CD2-CG1 3.89Å; Y185-I212 HydrophobicContact CD2-CG2 4.39Å; Y185-I212 HydrophobicContact CE1-CD1 3.99Å; Y185-I212 HydrophobicContact CE1-CG1 4.05Å; Y185-I212 HydrophobicContact CE2-CG1 4.14Å; Y185-I212 HydrophobicContact CG-CB 4.47Å; Y185-I212 HydrophobicContact CG-CD1 3.85Å; Y185-I212 HydrophobicContact CG-CG1 3.69Å; Y185-I212 HydrophobicContact CG-CG2 4.1Å; F204-I212 HydrophobicContact CE1-CD1 4.25Å; F204-I212 HydrophobicContact CZ-CD1 3.9Å; V208-I212 HydrophobicContact CG1-CD1 3.87Å; V208-I212 HydrophobicContact CG1-CG1 4.15Å; V208-I212 WeakPolarHBondContact O-CG1 3.45Å; V208-I212 PolarHBondContact O-N 2.95Å; L209-I212 PolarHBondContact O-N 3.47Å; I212-L215 PolarHBondContact O-N 3.4Å; I212-G216 PolarHBondContact O-N 3.21Å; I212-Y217 PolarHBondContact O-N 3.15Å; I212-I220 HydrophobicContact CD1-CD1 3.73Å; I212-I220 HydrophobicContact CD1-CG1 3.93Å; I212-I220 HydrophobicContact CG2-CD1 4.19Å; I212-I220 HydrophobicContact CG2-CG1 3.96Å; I212-I266 HydrophobicContact CG2-CD1 4.3Å
213K98.7Very high98.8Very high99 Ų9946.2 Ų46.243%0.4323%0.232SC..Hα-helixtrans-61.4-48.3176.2-168.5-175.4-168.3172.60112.1L209 P210 R211 L215 G216 M264 I266L209-K213 PolarHBondContact O-N 2.87Å; P210-K213 WeakPolarHBondContact O-CB 3.18Å; P210-K213 PolarHBondContact O-N 3.45Å; R211-K213 VanDerWaalsContact C-N 3.29Å; R211-K213 PolarHBondContact O-N 3.48Å; K213-L215 VanDerWaalsContact C-N 3.26Å; K213-L215 PolarHBondContact O-N 2.59Å; K213-G216 WeakPolarHBondContact O-CA 3.29Å; K213-G216 PolarHBondContact O-N 2.96Å; K213-M264 HydrophobicContact CB-SD 4.34Å; K213-M264 HydrophobicContact CD-CB 3.86Å; K213-M264 HydrophobicContact CD-CG 3.97Å; K213-M264 HydrophobicContact CD-SD 4.02Å; K213-M264 HydrophobicContact CG-CB 4.5Å; K213-I266 HydrophobicContact CB-CD1 4Å; K213-I266 HydrophobicContact CG-CD1 4.42Å
214D98.7Very high98.7Very high140 Ų14045 Ų4575%0.74923%0.226SC*.Hα-helixtrans-63.2-32.6-177.9-72.8-11.8000112.2P210 R211 G216P210-D214 WeakPolarHBondContact O-CB 3.5Å; P210-D214 PolarHBondContact O-N 2.86Å; R211-D214 PolarHBondContact O-N 2.84Å; D214-G216 PolarHBondContact O-N 3.22Å
215L98.8Very high98.7Very high99 Ų9944.9 Ų44.952%0.51823%0.225SC..THydrogen-bonded Turntrans-72.8-8.7173.5-72.4170.9000113.6Y185 R211 I212 K213 Y217Y185-L215 HydrophobicContact CE2-CD1 4.09Å; R211-L215 HydrophobicContact CG-CD1 4.03Å; R211-L215 WeakPolarHBondContact O-CB 3.42Å; R211-L215 VanDerWaalsContact O-CG 3.31Å; R211-L215 WeakPolarHBondContact O-CG 3.4Å; R211-L215 PolarHBondContact O-N 3.32Å; I212-L215 PolarHBondContact O-N 3.4Å; K213-L215 VanDerWaalsContact C-N 3.26Å; K213-L215 PolarHBondContact O-N 2.59Å; L215-Y217 HydrophobicContact CB-CD2 3.62Å; L215-Y217 HydrophobicContact CB-CE2 3.82Å; L215-Y217 HydrophobicContact CD1-CE2 4.23Å
216G98.6Very high98.7Very high38 Ų3844.9 Ų44.939%0.39223%0.225SC..THydrogen-bonded Turntrans83.612.217600000115.3R183 I212 K213 D214R183-G216 PolarHBondContact NE-O 3.25Å; R183-G216 PolarHBondContact NH2-O 3.45Å; R183-G216 VanDerWaalsContact NH2-O 3.17Å; I212-G216 PolarHBondContact O-N 3.21Å; K213-G216 WeakPolarHBondContact O-CA 3.29Å; K213-G216 PolarHBondContact O-N 2.96Å; D214-G216 PolarHBondContact O-N 3.22Å
217Y98.9Very high98.8Very high90 Ų9039.3 Ų39.335%0.35320%0.2SC..  trans-66.8146169-70.8-91.5000110.1R183 I184 Y185 I212 L215R183-Y217 HydrophobicContact CB-CD1 4.16Å; R183-Y217 WeakPolarHBondContact O-CD1 3.44Å; I184-Y217 WeakPolarHBondContact O-CD1 3.49Å; I184-Y217 WeakPolarHBondContact O-CE1 3.29Å; Y185-Y217 HydrophobicContact CD2-CD1 4.41Å; Y185-Y217 AromaticContact CD2-CD2 3.73Å; Y185-Y217 HydrophobicContact CD2-CD2 3.73Å; Y185-Y217 HydrophobicContact CD2-CE1 4.38Å; Y185-Y217 AromaticContact CD2-CE2 3.69Å; Y185-Y217 HydrophobicContact CD2-CE2 3.69Å; Y185-Y217 HydrophobicContact CD2-CG 4.11Å; Y185-Y217 HydrophobicContact CE2-CE2 4.36Å; Y185-Y217 HydrophobicContact CG-CG 4.5Å; I212-Y217 PolarHBondContact O-N 3.15Å; L215-Y217 HydrophobicContact CB-CD2 3.62Å; L215-Y217 HydrophobicContact CB-CE2 3.82Å; L215-Y217 HydrophobicContact CD1-CE2 4.23Å
218N98.8Very high98.8Very high20 Ų2034.3 Ų34.311%0.10717%0.173CC..  trans-120.90.5-179.763.8-2.3000113.2P179 S181 R183 V267P179-N218 VanDerWaalsContact CB-ND2 3.29Å; P179-N218 WeakPolarHBondContact CB-ND2 3.47Å; S181-N218 PolarHBondContact O-ND2 2.68Å; R183-N218 PolarHBondContact N-OD1 2.7Å; R183-N218 PolarHBondContact NH1-ND2 3.44Å; R183-N218 PolarHBondContact NH2-ND2 3.01Å; R183-N218 PolarHBondContact O-N 2.8Å; R183-N218 VanDerWaalsContact O-N 3.14Å; R183-N218 PolarHBondContact O-OD1 3.13Å; N218-V267 WeakPolarHBondContact O-CG2 3.29Å; N218-V267 PolarHBondContact O-N 2.76Å
219C98.9Very high98.7Very high0 Ų034.1 Ų34.10%017%0.173CC..EExtended strand (participates in β ladder)trans-142.3141.6-179-178.60000108.6L182 R183 I184 Y185 V267L182-C219 HydrophobicContact CD2-CB 4.13Å; R183-C219 PolarHBondContact O-N 3.33Å; I184-C219 CarbonylContact C-O 3.59Å; I184-C219 WeakPolarHBondContact CA-O 3.41Å; I184-C219 HydrophobicContact CB-CB 4.42Å; I184-C219 HydrophobicContact CG1-CB 3.98Å; Y185-C219 PolarHBondContact N-O 3.15Å; C219-V267 CarbonylContact C-O 3.58Å; C219-V267 VanDerWaalsContact CA-O 3.23Å; C219-V267 WeakPolarHBondContact CA-O 3.45Å; C219-V267 HydrophobicContact CB-CG2 3.64Å
220I98.9Very high98.5Very high0 Ų041.3 Ų41.30%020%0.201CC..EExtended strand (participates in β ladder)trans-113.1132.6168.6-67169.1000107.7Y185 L209 I212 L222 I266 V267 V268 L269Y185-I220 WeakPolarHBondContact O-CA 3.43Å; L209-I220 HydrophobicContact CD2-CD1 3.33Å; I212-I220 HydrophobicContact CD1-CD1 3.73Å; I212-I220 HydrophobicContact CD1-CG1 3.93Å; I212-I220 HydrophobicContact CG2-CD1 4.19Å; I212-I220 HydrophobicContact CG2-CG1 3.96Å; I220-L222 HydrophobicContact CG2-CB 4.38Å; I220-L222 HydrophobicContact CG2-CD1 4.04Å; I220-I266 HydrophobicContact CB-CG2 4.48Å; I220-I266 HydrophobicContact CD1-CG2 3.78Å; I220-I266 HydrophobicContact CG1-CG2 3.71Å; I220-V267 PolarHBondContact N-O 3.06Å; I220-V268 HydrophobicContact CB-CG1 4.41Å; I220-V268 HydrophobicContact CG2-CG1 4.47Å; I220-L269 PolarHBondContact O-N 2.9Å
221Q98.9Very high98.3Very high4 Ų442.2 Ų42.22%0.01920%0.199CC..EExtended strand (participates in β ladder)trans-98.7114163.8-178.166.251.200107.1I184 Y185 E186 A187 L270 D271I184-Q221 HydrophobicContact CG2-CB 3.57Å; Y185-Q221 PolarHBondContact O-N 3.39Å; E186-Q221 HydrophobicContact CB-CB 4.31Å; E186-Q221 HydrophobicContact CG-CB 4.32Å; E186-Q221 HydrophobicContact CG-CG 4.41Å; A187-Q221 PolarHBondContact N-O 3.49Å; Q221-L270 PolarHBondContact NE2-O 3.39Å; Q221-D271 WeakPolarHBondContact CG-OD1 3.48Å; Q221-D271 PolarHBondContact NE2-OD1 2.82Å
222L98.8Very high98.2Very high0 Ų037.9 Ų37.90%020%0.197CC..EExtended strand (participates in β ladder)trans-102.2106.7-173.7-154.466.6000110A187 V189 F204 I220 I225 L254 L257 V268 L269 D271 F336A187-L222 HydrophobicContact CB-CD1 4.45Å; V189-L222 HydrophobicContact CG2-CD1 3.86Å; V189-L222 HydrophobicContact CG2-CG 4.35Å; F204-L222 HydrophobicContact CE1-CD1 4.28Å; F204-L222 HydrophobicContact CZ-CD1 4.22Å; I220-L222 HydrophobicContact CG2-CB 4.38Å; I220-L222 HydrophobicContact CG2-CD1 4.04Å; L222-I225 HydrophobicContact CB-CG1 4.21Å; L222-I225 HydrophobicContact CD2-CD1 3.57Å; L222-I225 HydrophobicContact CD2-CG1 3.74Å; L222-I225 HydrophobicContact CG-CD1 3.76Å; L222-I225 HydrophobicContact CG-CG1 3.73Å; L222-L254 HydrophobicContact CD2-CD1 4.01Å; L222-L257 HydrophobicContact CD2-CD2 4.32Å; L222-V268 HydrophobicContact CB-CG1 4.3Å; L222-V268 HydrophobicContact CD2-CG1 4.44Å; L222-L269 PolarHBondContact N-O 3.01Å; L222-D271 PolarHBondContact O-N 3.19Å; L222-D271 VanDerWaalsContact O-N 3.16Å; L222-F336 HydrophobicContact CB-CE1 4.34Å; L222-F336 HydrophobicContact CD2-CE1 4.2Å; L222-F336 HydrophobicContact CD2-CZ 4.3Å
223M98.8Very high98Very high2 Ų238.5 Ų38.51%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-85160.3-178.2-53.6-172.762.300111.8E186 A187 I225 F234 Y236 D271 H465E186-M223 HydrophobicContact CG-CG 4Å; E186-M223 HydrophobicContact CG-SD 3.6Å; E186-M223 VanDerWaalsContact CG-SD 3.6Å; A187-M223 PolarHBondContact O-N 3.14Å; M223-I225 VanDerWaalsContact C-N 3.26Å; M223-I225 PolarHBondContact O-N 3.15Å; M223-F234 HydrophobicContact CE-CD1 3.6Å; M223-F234 HydrophobicContact CE-CE1 3.5Å; M223-F234 HydrophobicContact SD-CD1 4.45Å; M223-F234 HydrophobicContact SD-CE1 3.76Å; M223-F234 HydrophobicContact SD-CZ 4.49Å; M223-Y236 HydrophobicContact CE-CE2 4.42Å; M223-Y236 WeakPolarHBondContact CE-OH 3.27Å; M223-D271 WeakPolarHBondContact CB-OD2 3.29Å; M223-D271 VanDerWaalsContact CG-OD2 3.26Å; M223-D271 WeakPolarHBondContact CG-OD2 3.35Å; M223-H465 HydrophobicContact SD-CB 4.42Å
224A98.3Very high97.9Very high5 Ų535.2 Ų35.24%0.04119%0.187CC..SBendtrans5928.4169.400000115.6H188 H228 Y248H188-A224 VanDerWaalsContact CD2-CB 3.44Å; H188-A224 WeakPolarHBondContact CD2-CB 3.4Å; H188-A224 WeakPolarHBondContact NE2-CB 3.12Å; A224-H228 PolarHBondContact O-CE1 2.79Å; A224-Y248 WeakPolarHBondContact CB-OH 3.37Å; A224-Y248 VanDerWaalsContact O-CE2 3.31Å; A224-Y248 WeakPolarHBondContact O-CE2 3.24Å; A224-Y248 PolarHBondContact O-OH 2.81Å
225I98.9Very high97.8Very high1 Ų128.7 Ų28.71%0.00515%0.153CC..  trans-83.2-42-179.8-63.5-60.2000112.6V189 Y201 L222 M223 E227 A244 S245 L254 L270 W330 F336V189-I225 HydrophobicContact CG2-CD1 4.26Å; Y201-I225 HydrophobicContact CE1-CD1 3.72Å; L222-I225 HydrophobicContact CB-CG1 4.21Å; L222-I225 HydrophobicContact CD2-CD1 3.57Å; L222-I225 HydrophobicContact CD2-CG1 3.74Å; L222-I225 HydrophobicContact CG-CD1 3.76Å; L222-I225 HydrophobicContact CG-CG1 3.73Å; M223-I225 VanDerWaalsContact C-N 3.26Å; M223-I225 PolarHBondContact O-N 3.15Å; I225-E227 PolarHBondContact O-N 2.85Å; I225-A244 CarbonylContact O-C 3.23Å; I225-A244 WeakPolarHBondContact O-CA 3.45Å; I225-S245 PolarHBondContact O-N 3.43Å; I225-L254 HydrophobicContact CD1-CD1 4.21Å; I225-L254 HydrophobicContact CG2-CD2 3.52Å; I225-L270 HydrophobicContact CB-CD1 3.49Å; I225-L270 VanDerWaalsContact CB-CD1 3.49Å; I225-L270 HydrophobicContact CG1-CD1 4Å; I225-L270 HydrophobicContact CG2-CD1 3.89Å; I225-W330 HydrophobicContact CG2-CH2 3.98Å; I225-W330 HydrophobicContact CG2-CZ3 3.89Å; I225-F336 HydrophobicContact CG2-CZ 4.27Å
226M98.9Very high97.8Very high2 Ų225.7 Ų25.71%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-61.6133.2172.1-67.1173.273.200108.9H228 I238 F241 W330M226-H228 PolarHBondContact O-N 3.47Å; M226-H228 PolarHBondContact O-ND1 2.76Å; M226-I238 HydrophobicContact CB-CD1 3.54Å; M226-I238 HydrophobicContact CB-CG1 4.27Å; M226-I238 HydrophobicContact CB-CG2 4.23Å; M226-I238 HydrophobicContact CE-CG2 4.21Å; M226-F241 HydrophobicContact CE-CB 3.92Å; M226-F241 HydrophobicContact CE-CD1 3.31Å; M226-F241 HydrophobicContact CE-CE1 4.02Å; M226-F241 HydrophobicContact CE-CG 3.94Å; M226-W330 HydrophobicContact CG-CZ2 3.69Å
227E98.8Very high97.7Very high0 Ų025.6 Ų25.60%012%0.124CC..EExtended strand (participates in β ladder)trans-66.4131.8-169.5-176.675.8-79.300112.5V149 I225 T239 S240 A243 S245 S246 R247V149-E227 HydrophobicContact CG2-CB 4.28Å; V149-E227 HydrophobicContact CG2-CG 3.47Å; V149-E227 VanDerWaalsContact CG2-CG 3.47Å; I225-E227 PolarHBondContact O-N 2.85Å; E227-T239 PolarHBondContact O-N 3.04Å; E227-T239 PolarHBondContact O-OG1 2.78Å; E227-S240 PolarHBondContact O-N 2.76Å; E227-A243 HydrophobicContact CB-CB 3.85Å; E227-A243 PolarHBondContact N-O 3.19Å; E227-S245 WeakPolarHBondContact OE1-CA 3.38Å; E227-S245 VanDerWaalsContact OE1-CB 3.27Å; E227-S245 WeakPolarHBondContact OE1-CB 3.33Å; E227-S245 PolarHBondContact OE1-OG 3.05Å; E227-S246 WeakPolarHBondContact OE2-CB 3.47Å; E227-S246 PolarHBondContact OE2-N 3.11Å; E227-S246 PolarHBondContact OE2-OG 3.49Å; E227-R247 IonicContact OE1-NH1 3.55Å; E227-R247 PolarHBondContact OE1-NH1 2.9Å
228H98.2Very high97.7Very high0 Ų021.4 Ų21.40%011%0.108CC..EExtended strand (participates in β ladder)trans-135.3123.1-175.952.5-76.8000109.4A224 M226 Y230 Q237 I238 R247 Y248A224-H228 PolarHBondContact O-CE1 2.79Å; M226-H228 PolarHBondContact O-N 3.47Å; M226-H228 PolarHBondContact O-ND1 2.76Å; H228-Y230 VanDerWaalsContact C-N 3.34Å; H228-Y230 PolarHBondContact O-N 2.67Å; H228-Q237 WeakPolarHBondContact CA-O 3.46Å; H228-Q237 VanDerWaalsContact CB-O 3.22Å; H228-Q237 WeakPolarHBondContact CB-O 3.39Å; H228-I238 HydrophobicContact CB-CD1 4.43Å; H228-R247 PolarHBondContact O-NH1 3.14Å; H228-R247 PolarHBondContact O-NH2 3.27Å; H228-Y248 PolarHBondContact CE1-OH 2.96Å
229A96.7Very high97.7Very high13 Ų1320.7 Ų20.711%0.10710%0.104CC..SBendtrans-69.4-31.3-176.800000113Y158 T239 R247Y158-A229 HydrophobicContact CD2-CB 4.14Å; Y158-A229 HydrophobicContact CE2-CB 3.96Å; A229-T239 HydrophobicContact CB-CG2 3.81Å; A229-T239 PolarHBondContact N-OG1 2.8Å; A229-R247 PolarHBondContact O-NH2 2.92Å
230Y95.5Very high97.7Very high150 Ų15020.9 Ų20.959%0.58811%0.106SC*.  trans-93.8101.5179.1-177.6-134.5000111H228 A232 S233H228-Y230 VanDerWaalsContact C-N 3.34Å; H228-Y230 PolarHBondContact O-N 2.67Å; Y230-A232 VanDerWaalsContact C-N 3.29Å; Y230-A232 HydrophobicContact CE1-CB 4.08Å; Y230-A232 HydrophobicContact CE2-CB 3.84Å; Y230-A232 PolarHBondContact O-N 3.47Å; Y230-S233 VanDerWaalsContact O-CB 3.22Å; Y230-S233 WeakPolarHBondContact O-CB 3.23Å; Y230-S233 PolarHBondContact O-N 2.88Å; Y230-S233 PolarHBondContact O-OG 2.88Å
231Y95.3Very high97.7Very high66 Ų6620.9 Ų20.926%0.25911%0.106SC..G310 helixtrans-60-36.8-174.4-174.3-125.2000113.4H188 I198 S233 F234 Y248H188-Y231 AromaticContact CE1-CE2 3.62Å; H188-Y231 AromaticContact CE1-CZ 3.91Å; H188-Y231 PolarHBondContact CE1-OH 3.35Å; H188-Y231 AromaticContact NE2-CE2 3.77Å; I198-Y231 HydrophobicContact CD1-CE1 4.41Å; I198-Y231 HydrophobicContact CG1-CE1 4.04Å; Y231-S233 PolarHBondContact O-N 2.76Å; Y231-F234 PolarHBondContact O-N 2.95Å; Y231-F234 VanDerWaalsContact O-N 3.16Å; Y231-Y248 HydrophobicContact CE2-CE1 4.07Å
232A95.1Very high97.7Very high67 Ų6720.9 Ų20.955%0.55411%0.106SC*.G310 helixtrans-76.3-0.6177.400000113.7Y230 F234Y230-A232 VanDerWaalsContact C-N 3.29Å; Y230-A232 HydrophobicContact CE1-CB 4.08Å; Y230-A232 HydrophobicContact CE2-CB 3.84Å; Y230-A232 PolarHBondContact O-N 3.47Å; A232-F234 PolarHBondContact O-N 2.69Å
233S95.1Very high97.7Very high13 Ų1320.9 Ų20.99%0.09111%0.106CC..G310 helixtrans-69.3-7.9163.969.90000112.9Y230 Y231 G235 Y236 Q237Y230-S233 VanDerWaalsContact O-CB 3.22Å; Y230-S233 WeakPolarHBondContact O-CB 3.23Å; Y230-S233 PolarHBondContact O-N 2.88Å; Y230-S233 PolarHBondContact O-OG 2.88Å; Y231-S233 PolarHBondContact O-N 2.76Å; S233-G235 PolarHBondContact O-N 2.77Å; S233-G235 VanDerWaalsContact O-N 3.07Å; S233-G235 PolarHBondContact OG-N 3.34Å; S233-Y236 WeakPolarHBondContact O-CB 3.47Å; S233-Y236 WeakPolarHBondContact O-CD2 3.39Å; S233-Y236 PolarHBondContact O-N 2.83Å; S233-Q237 PolarHBondContact OG-N 2.56Å
234F96.9Very high97.7Very high29 Ų2920.8 Ų20.813%0.12711%0.106CC..THydrogen-bonded Turntrans57.623.7-177.9-150.3-124.6000114H188 I191 M223 Y231 A232 Y236 H465 L469H188-F234 HydrophobicContact CB-CE2 3.92Å; H188-F234 HydrophobicContact CB-CZ 3.83Å; H188-F234 AromaticContact CD2-CD2 3.57Å; H188-F234 AromaticContact CD2-CE2 3.38Å; H188-F234 WeakPolarHBondContact CD2-CE2 3.27Å; H188-F234 AromaticContact CD2-CZ 4Å; H188-F234 AromaticContact CG-CE2 3.73Å; I191-F234 HydrophobicContact CD1-CE2 3.97Å; I191-F234 HydrophobicContact CD1-CZ 4.23Å; M223-F234 HydrophobicContact CE-CD1 3.6Å; M223-F234 HydrophobicContact CE-CE1 3.5Å; M223-F234 HydrophobicContact SD-CD1 4.45Å; M223-F234 HydrophobicContact SD-CE1 3.76Å; M223-F234 HydrophobicContact SD-CZ 4.49Å; Y231-F234 PolarHBondContact O-N 2.95Å; Y231-F234 VanDerWaalsContact O-N 3.16Å; A232-F234 PolarHBondContact O-N 2.69Å; F234-Y236 HydrophobicContact CB-CD2 4.35Å; F234-Y236 HydrophobicContact CB-CE2 4.39Å; F234-Y236 HydrophobicContact CD1-CE2 4.39Å; F234-H465 HydrophobicContact CD1-CB 4.47Å; F234-H465 HydrophobicContact CE1-CB 3.64Å; F234-H465 AromaticContact CE1-CG 3.97Å; F234-H465 HydrophobicContact CZ-CB 4.37Å; F234-L469 HydrophobicContact CB-CD2 3.69Å; F234-L469 HydrophobicContact CD1-CD2 4.03Å; F234-L469 HydrophobicContact CG-CD2 3.87Å
235G97.1Very high97.7Very high3 Ų320.6 Ų20.63%0.03110%0.104CC..THydrogen-bonded Turntrans97.1-3.1-177.700000115.1S233 I238S233-G235 PolarHBondContact O-N 2.77Å; S233-G235 VanDerWaalsContact O-N 3.07Å; S233-G235 PolarHBondContact OG-N 3.34Å; G235-I238 WeakPolarHBondContact O-CD1 3.46Å
236Y97.6Very high97.7Very high36 Ų3621.5 Ų21.514%0.14111%0.11CC..  trans-81.2-23-176.9-66-67.1000113.9M223 S233 F234 I238 V273 H276 D342 H465 L469M223-Y236 HydrophobicContact CE-CE2 4.42Å; M223-Y236 WeakPolarHBondContact CE-OH 3.27Å; S233-Y236 WeakPolarHBondContact O-CB 3.47Å; S233-Y236 WeakPolarHBondContact O-CD2 3.39Å; S233-Y236 PolarHBondContact O-N 2.83Å; F234-Y236 HydrophobicContact CB-CD2 4.35Å; F234-Y236 HydrophobicContact CB-CE2 4.39Å; F234-Y236 HydrophobicContact CD1-CE2 4.39Å; Y236-I238 PolarHBondContact O-N 3.44Å; Y236-V273 HydrophobicContact CD1-CG2 4.18Å; Y236-H276 PolarHBondContact O-CE1 2.8Å; Y236-H276 PolarHBondContact O-NE2 3.04Å; Y236-D342 HydrophobicContact CD1-CB 4.47Å; Y236-D342 HydrophobicContact CE1-CB 3.98Å; Y236-H465 PolarHBondContact OH-NE2 3.46Å; Y236-L469 HydrophobicContact CE2-CD1 4.12Å
237Q97.9Very high97.6Very high36 Ų3623.1 Ų23.117%0.16812%0.116CC..SBendtrans-95.472.4-179.5-69.7-68-35.900111.9H228 S233 W307 S309H228-Q237 WeakPolarHBondContact CA-O 3.46Å; H228-Q237 VanDerWaalsContact CB-O 3.22Å; H228-Q237 WeakPolarHBondContact CB-O 3.39Å; S233-Q237 PolarHBondContact OG-N 2.56Å; Q237-W307 PolarHBondContact NE2-O 2.85Å; Q237-S309 PolarHBondContact NE2-OG 3.35Å; Q237-S309 PolarHBondContact OE1-OG 3.13Å
238I98.8Very high97.6Very high2 Ų223.2 Ų23.21%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-66.7137.5-176.5-53.4-52.7000112M226 H228 G235 Y236 F241 V273 S278M226-I238 HydrophobicContact CB-CD1 3.54Å; M226-I238 HydrophobicContact CB-CG1 4.27Å; M226-I238 HydrophobicContact CB-CG2 4.23Å; M226-I238 HydrophobicContact CE-CG2 4.21Å; H228-I238 HydrophobicContact CB-CD1 4.43Å; G235-I238 WeakPolarHBondContact O-CD1 3.46Å; Y236-I238 PolarHBondContact O-N 3.44Å; I238-F241 HydrophobicContact CB-CE1 4.22Å; I238-F241 HydrophobicContact CB-CE2 4.12Å; I238-F241 HydrophobicContact CB-CZ 3.82Å; I238-F241 HydrophobicContact CG2-CD1 3.99Å; I238-F241 HydrophobicContact CG2-CD2 3.7Å; I238-F241 HydrophobicContact CG2-CE1 3.9Å; I238-F241 HydrophobicContact CG2-CE2 3.61Å; I238-F241 HydrophobicContact CG2-CG 3.84Å; I238-F241 HydrophobicContact CG2-CZ 3.66Å; I238-V273 HydrophobicContact CD1-CB 4.35Å; I238-V273 HydrophobicContact CD1-CG2 4.36Å; I238-V273 HydrophobicContact CG1-CB 3.69Å; I238-V273 HydrophobicContact CG1-CG1 4.16Å; I238-V273 HydrophobicContact CG1-CG2 4.23Å; I238-S278 WeakPolarHBondContact O-CB 3.15Å; I238-S278 PolarHBondContact O-N 3.08Å
239T98.7Very high97.6Very high5 Ų524 Ų243%0.03112%0.124CC..EExtended strand (participates in β ladder)trans-117.4-45.5179.449.90000112.4E227 A229 N280 D283E227-T239 PolarHBondContact O-N 3.04Å; E227-T239 PolarHBondContact O-OG1 2.78Å; A229-T239 HydrophobicContact CB-CG2 3.81Å; A229-T239 PolarHBondContact N-OG1 2.8Å; T239-N280 HydrophobicContact CG2-CB 4.14Å; T239-D283 WeakPolarHBondContact CB-O 3.3Å
240S98.8Very high97.7Very high4 Ų424.4 Ų24.43%0.02813%0.125CC..EExtended strand (participates in β ladder)trans-126.799.2179.8-67.60000110.6E227 F242 A243E227-S240 PolarHBondContact O-N 2.76Å; S240-F242 VanDerWaalsContact C-N 3.31Å; S240-F242 PolarHBondContact O-N 3.17Å; S240-A243 PolarHBondContact O-N 2.82Å; S240-A243 VanDerWaalsContact O-N 3.17Å
241F98.9Very high97.9Very high1 Ų117.3 Ų17.30%0.00410%0.098CC..EExtended strand (participates in β ladder)trans-66.1-28.6-166.7-75-106.1000114M226 I238 V273 A277 L285 F312 F322 N326 W330M226-F241 HydrophobicContact CE-CB 3.92Å; M226-F241 HydrophobicContact CE-CD1 3.31Å; M226-F241 HydrophobicContact CE-CE1 4.02Å; M226-F241 HydrophobicContact CE-CG 3.94Å; I238-F241 HydrophobicContact CB-CE1 4.22Å; I238-F241 HydrophobicContact CB-CE2 4.12Å; I238-F241 HydrophobicContact CB-CZ 3.82Å; I238-F241 HydrophobicContact CG2-CD1 3.99Å; I238-F241 HydrophobicContact CG2-CD2 3.7Å; I238-F241 HydrophobicContact CG2-CE1 3.9Å; I238-F241 HydrophobicContact CG2-CE2 3.61Å; I238-F241 HydrophobicContact CG2-CG 3.84Å; I238-F241 HydrophobicContact CG2-CZ 3.66Å; F241-V273 WeakPolarHBondContact CE1-O 3.25Å; F241-A277 HydrophobicContact CE2-CB 3.94Å; F241-A277 HydrophobicContact CZ-CB 3.74Å; F241-L285 HydrophobicContact CD2-CD2 4.15Å; F241-L285 HydrophobicContact CE2-CB 4.38Å; F241-L285 HydrophobicContact CE2-CD2 3.92Å; F241-F312 HydrophobicContact CE1-CE2 4.05Å; F241-F312 AromaticContact CE1-CZ 3.64Å; F241-F312 HydrophobicContact CE1-CZ 3.64Å; F241-F312 HydrophobicContact CE2-CZ 4.16Å; F241-F312 HydrophobicContact CZ-CE2 4.02Å; F241-F312 AromaticContact CZ-CZ 3.46Å; F241-F312 HydrophobicContact CZ-CZ 3.46Å; F241-F312 VanDerWaalsContact CZ-CZ 3.46Å; F241-F322 HydrophobicContact CB-CE1 3.88Å; F241-F322 HydrophobicContact CB-CZ 3.63Å; F241-F322 HydrophobicContact CD1-CE1 4.05Å; F241-F322 AromaticContact CD2-CE1 3.95Å; F241-F322 HydrophobicContact CD2-CE1 3.95Å; F241-F322 AromaticContact CD2-CZ 3.89Å; F241-F322 HydrophobicContact CD2-CZ 3.89Å; F241-F322 AromaticContact CG-CE1 3.67Å; F241-F322 HydrophobicContact CG-CE1 3.67Å; F241-F322 AromaticContact CG-CZ 3.77Å; F241-F322 HydrophobicContact CG-CZ 3.77Å; F241-N326 PolarHBondContact O-ND2 3.37Å; F241-W330 WeakPolarHBondContact O-CZ2 3.3Å; F241-W330 PolarHBondContact O-NE1 3.13Å
242F98.9Very high98Very high3 Ų315.3 Ų15.31%0.0139%0.091CC..EExtended strand (participates in β ladder)trans-95.2-3.9-179.5-71.5-99.4000113.2W145 A146 S240 F322 N326 W329W145-F242 HydrophobicContact CD2-CE2 4.28Å; W145-F242 HydrophobicContact CD2-CZ 4.45Å; W145-F242 HydrophobicContact CE3-CD1 4.33Å; W145-F242 HydrophobicContact CE3-CD2 4.18Å; W145-F242 AromaticContact CE3-CE1 3.8Å; W145-F242 HydrophobicContact CE3-CE1 3.8Å; W145-F242 AromaticContact CE3-CE2 3.64Å; W145-F242 HydrophobicContact CE3-CE2 3.64Å; W145-F242 AromaticContact CE3-CZ 3.42Å; W145-F242 HydrophobicContact CE3-CZ 3.42Å; W145-F242 VanDerWaalsContact CE3-CZ 3.42Å; W145-F242 HydrophobicContact CH2-CZ 4.22Å; W145-F242 AromaticContact CZ3-CE1 3.82Å; W145-F242 HydrophobicContact CZ3-CE1 3.82Å; W145-F242 AromaticContact CZ3-CE2 3.85Å; W145-F242 HydrophobicContact CZ3-CE2 3.85Å; W145-F242 AromaticContact CZ3-CZ 3.28Å; W145-F242 HydrophobicContact CZ3-CZ 3.28Å; A146-F242 CarbonylContact O-C 3.42Å; S240-F242 VanDerWaalsContact C-N 3.31Å; S240-F242 PolarHBondContact O-N 3.17Å; F242-F322 AromaticContact CD2-CE2 3.95Å; F242-F322 HydrophobicContact CD2-CE2 3.95Å; F242-F322 HydrophobicContact CD2-CZ 4.24Å; F242-F322 AromaticContact CE2-CD2 3.73Å; F242-F322 HydrophobicContact CE2-CD2 3.73Å; F242-F322 AromaticContact CE2-CE2 3.46Å; F242-F322 HydrophobicContact CE2-CE2 3.46Å; F242-F322 VanDerWaalsContact CE2-CE2 3.46Å; F242-F322 HydrophobicContact CE2-CG 4.39Å; F242-F322 AromaticContact CE2-CZ 3.9Å; F242-F322 HydrophobicContact CE2-CZ 3.9Å; F242-F322 WeakPolarHBondContact CZ-O 3.49Å; F242-N326 HydrophobicContact CE1-CB 4.14Å; F242-N326 HydrophobicContact CE2-CB 3.98Å; F242-N326 VanDerWaalsContact CZ-CA 3.49Å; F242-N326 HydrophobicContact CZ-CB 3.64Å; F242-W329 HydrophobicContact CD1-CB 3.75Å; F242-W329 AromaticContact CD1-CD1 3.54Å; F242-W329 AromaticContact CD1-CD2 3.96Å; F242-W329 HydrophobicContact CD1-CD2 3.96Å; F242-W329 AromaticContact CD1-CG 3.47Å; F242-W329 HydrophobicContact CD1-CG 3.47Å; F242-W329 VanDerWaalsContact CD1-CG 3.47Å; F242-W329 AromaticContact CD1-NE1 3.96Å; F242-W329 HydrophobicContact CE1-CB 3.68Å; F242-W329 AromaticContact CE1-CG 3.96Å; F242-W329 HydrophobicContact CE1-CG 3.96Å; F242-W329 PolarHBondContact O-NE1 3.4Å
243A98.9Very high98.2Very high0 Ų014.5 Ų14.50%08%0.076CC..EExtended strand (participates in β ladder)trans-94.5127.1-177.400000111.1A146 K147 V149 E227 S240A146-A243 PolarHBondContact O-N 3.47Å; K147-A243 WeakPolarHBondContact O-CA 3.21Å; V149-A243 HydrophobicContact CG2-CB 4.35Å; E227-A243 HydrophobicContact CB-CB 3.85Å; E227-A243 PolarHBondContact N-O 3.19Å; S240-A243 PolarHBondContact O-N 2.82Å; S240-A243 VanDerWaalsContact O-N 3.17Å
244A98.8Very high98.4Very high1 Ų113.9 Ų13.91%0.0087%0.072CC..EExtended strand (participates in β ladder)trans-70134.1164.100000109.1I225 S246 L254 W330 Y334I225-A244 CarbonylContact O-C 3.23Å; I225-A244 WeakPolarHBondContact O-CA 3.45Å; A244-S246 PolarHBondContact O-N 3.37Å; A244-S246 VanDerWaalsContact O-N 3.12Å; A244-L254 HydrophobicContact CB-CD2 3.66Å; A244-W330 HydrophobicContact CB-CH2 4.21Å; A244-W330 HydrophobicContact CB-CZ3 4.38Å; A244-Y334 HydrophobicContact CB-CE1 4.06Å; A244-Y334 WeakPolarHBondContact CB-OH 3.37Å
245S98.7Very high98.5Very high0 Ų013.1 Ų13.10%07%0.068CC..PPolyproline II helixtrans-58121-172.5-174.10000111.2Y201 I225 E227 R247 Y248Y201-S245 PolarHBondContact OH-N 3.32Å; Y201-S245 PolarHBondContact OH-O 3.08Å; I225-S245 PolarHBondContact O-N 3.43Å; E227-S245 WeakPolarHBondContact OE1-CA 3.38Å; E227-S245 VanDerWaalsContact OE1-CB 3.27Å; E227-S245 WeakPolarHBondContact OE1-CB 3.33Å; E227-S245 PolarHBondContact OE1-OG 3.05Å; S245-R247 PolarHBondContact O-N 2.66Å; S245-Y248 PolarHBondContact O-N 2.8Å
246S98.4Very high98.6Very high20 Ų2016 Ų1614%0.148%0.081CC..G310 helixtrans-69.2-18.4-175.153.50000114V149 E227 A244 Y248 G249V149-S246 WeakPolarHBondContact O-CB 3.36Å; V149-S246 PolarHBondContact O-OG 3.1Å; E227-S246 WeakPolarHBondContact OE2-CB 3.47Å; E227-S246 PolarHBondContact OE2-N 3.11Å; E227-S246 PolarHBondContact OE2-OG 3.49Å; A244-S246 PolarHBondContact O-N 3.37Å; A244-S246 VanDerWaalsContact O-N 3.12Å; S246-Y248 PolarHBondContact O-N 2.85Å; S246-G249 WeakPolarHBondContact CA-O 3.2Å; S246-G249 PolarHBondContact O-N 3.43Å
247R97.3Very high98.6Very high37 Ų3714.3 Ų14.314%0.148%0.075CC..G310 helixtrans-59.1-32.5178.2-80.1-174.5-175.182.4-1.8113.4Y158 I198 E227 H228 A229 S245Y158-R247 PolarHBondContact OH-NH1 3.08Å; Y158-R247 PolarHBondContact OH-NH2 2.68Å; I198-R247 HydrophobicContact CD1-CG 4.39Å; I198-R247 HydrophobicContact CG2-CB 4.11Å; E227-R247 IonicContact OE1-NH1 3.55Å; E227-R247 PolarHBondContact OE1-NH1 2.9Å; H228-R247 PolarHBondContact O-NH1 3.14Å; H228-R247 PolarHBondContact O-NH2 3.27Å; A229-R247 PolarHBondContact O-NH2 2.92Å; S245-R247 PolarHBondContact O-N 2.66Å
248Y98.5Very high98.7Very high2 Ų212.6 Ų12.61%0.0087%0.067CC..G310 helixtrans-97.1-10.4-175.6-35.8-48.6000112H188 V189 I198 S200 Y201 A224 H228 Y231 S245 S246H188-Y248 AromaticContact CE1-CE1 3.87Å; H188-Y248 AromaticContact CE1-CZ 3.83Å; H188-Y248 PolarHBondContact CE1-OH 3.49Å; H188-Y248 PolarHBondContact NE2-OH 3.48Å; V189-Y248 HydrophobicContact CB-CD1 4.38Å; V189-Y248 HydrophobicContact CB-CD2 4.06Å; V189-Y248 HydrophobicContact CB-CE2 4.47Å; V189-Y248 HydrophobicContact CB-CG 4.02Å; V189-Y248 HydrophobicContact CG1-CD1 4.27Å; V189-Y248 HydrophobicContact CG1-CD2 4.28Å; V189-Y248 HydrophobicContact CG1-CG 3.83Å; I198-Y248 HydrophobicContact CG2-CD1 3.78Å; I198-Y248 HydrophobicContact CG2-CE1 4.07Å; S200-Y248 CarbonylContact C-O 3.5Å; S200-Y248 WeakPolarHBondContact CA-O 3.38Å; S200-Y248 WeakPolarHBondContact CB-O 3.34Å; Y201-Y248 HydrophobicContact CD1-CD2 4.47Å; Y201-Y248 WeakPolarHBondContact CD2-O 3.47Å; Y201-Y248 AromaticContact CE1-CD2 3.61Å; Y201-Y248 HydrophobicContact CE1-CD2 3.61Å; Y201-Y248 HydrophobicContact CE1-CG 4.15Å; Y201-Y248 HydrophobicContact CE2-CD2 4.4Å; Y201-Y248 AromaticContact CZ-CD2 3.59Å; Y201-Y248 PolarHBondContact N-O 2.86Å; Y201-Y248 WeakPolarHBondContact OH-CD2 3.36Å; A224-Y248 WeakPolarHBondContact CB-OH 3.37Å; A224-Y248 VanDerWaalsContact O-CE2 3.31Å; A224-Y248 WeakPolarHBondContact O-CE2 3.24Å; A224-Y248 PolarHBondContact O-OH 2.81Å; H228-Y248 PolarHBondContact CE1-OH 2.96Å; Y231-Y248 HydrophobicContact CE2-CE1 4.07Å; S245-Y248 PolarHBondContact O-N 2.8Å; S246-Y248 PolarHBondContact O-N 2.85Å
249G98.3Very high98.7Very high15 Ų1512.5 Ų12.516%0.1557%0.066CC..  trans142.2-152.2-178.100000112.4Y148 S246 E253Y148-G249 WeakPolarHBondContact CE2-O 3.48Å; Y148-G249 PolarHBondContact OH-O 2.89Å; S246-G249 WeakPolarHBondContact CA-O 3.2Å; S246-G249 PolarHBondContact O-N 3.43Å; G249-E253 WeakPolarHBondContact CA-OE2 3.37Å
250T98.6Very high98.7Very high22 Ų2213.7 Ų13.714%0.1357%0.073CC..  trans-98.2162.3-176.662.10000111.6W163 D252 E253 L254W163-T250 VanDerWaalsContact CH2-CB 3.47Å; W163-T250 HydrophobicContact CH2-CG2 3.55Å; W163-T250 HydrophobicContact CZ2-CG2 4.42Å; W163-T250 HydrophobicContact CZ3-CG2 4.08Å; T250-D252 PolarHBondContact O-N 2.84Å; T250-E253 PolarHBondContact N-OE2 3.09Å; T250-E253 PolarHBondContact O-N 2.62Å; T250-E253 WeakPolarHBondContact OG1-CG 3.49Å; T250-E253 PolarHBondContact OG1-N 2.71Å; T250-E253 PolarHBondContact OG1-OE2 3.26Å; T250-L254 PolarHBondContact O-N 3.11Å
251P98.8Very high98.7Very high1 Ų113.5 Ų13.51%0.0067%0.072CC..Hα-helixtrans-52.3-38.4171.7-32.339.5000113.8Y148 W163 L254 K255 Y334Y148-P251 HydrophobicContact CD2-CG 3.73Å; Y148-P251 HydrophobicContact CE2-CG 4.32Å; Y148-P251 HydrophobicContact CG-CG 4.15Å; W163-P251 HydrophobicContact CD2-CG 3.93Å; W163-P251 HydrophobicContact CG-CG 4.1Å; W163-P251 HydrophobicContact CZ2-CB 4.47Å; W163-P251 HydrophobicContact CZ2-CG 4.31Å; P251-L254 PolarHBondContact O-N 2.75Å; P251-K255 WeakPolarHBondContact O-CG 3.42Å; P251-K255 PolarHBondContact O-N 3.24Å; P251-K255 VanDerWaalsContact O-N 3.1Å; P251-Y334 HydrophobicContact CB-CE1 4.12Å; P251-Y334 WeakPolarHBondContact CB-OH 3.31Å; P251-Y334 WeakPolarHBondContact O-CE1 3.39Å
252D98.6Very high98.7Very high24 Ų2413.9 Ų13.913%0.1287%0.074CC..Hα-helixtrans-71.8-32.5-178.2-72-20.5000112.6T250 L254 K255 E256T250-D252 PolarHBondContact O-N 2.84Å; D252-L254 VanDerWaalsContact C-N 3.33Å; D252-K255 WeakPolarHBondContact O-CB 3.04Å; D252-K255 PolarHBondContact O-N 3.17Å; D252-K255 IonicContact OD1-NZ 3.14Å; D252-K255 PolarHBondContact OD1-NZ 2.7Å; D252-K255 VanDerWaalsContact OD1-NZ 3.17Å; D252-E256 PolarHBondContact O-N 3.33Å
253E98.8Very high98.7Very high51 Ų5116.5 Ų16.524%0.2389%0.092CC..Hα-helixtrans-69.6-30.9173.7-69.8167.3134.100112.1Y201 N202 G249 T250 L257Y201-E253 HydrophobicContact CD2-CB 4.15Å; N202-E253 PolarHBondContact ND2-OE1 2.9Å; N202-E253 WeakPolarHBondContact OD1-CB 3.29Å; N202-E253 WeakPolarHBondContact OD1-CG 3.34Å; G249-E253 WeakPolarHBondContact CA-OE2 3.37Å; T250-E253 PolarHBondContact N-OE2 3.09Å; T250-E253 PolarHBondContact O-N 2.62Å; T250-E253 WeakPolarHBondContact OG1-CG 3.49Å; T250-E253 PolarHBondContact OG1-N 2.71Å; T250-E253 PolarHBondContact OG1-OE2 3.26Å; E253-L257 PolarHBondContact O-N 3.36Å
254L98.9Very high98.7Very high0 Ų018.5 Ų18.50%010%0.102CC..Hα-helixtrans-68.9-40.3170.3176.459.4000111.6Y201 L222 I225 A244 T250 P251 D252 E256 L257 I258 W330 Y334 F336Y201-L254 HydrophobicContact CD1-CB 4.34Å; Y201-L254 HydrophobicContact CD1-CD1 4.02Å; Y201-L254 HydrophobicContact CD2-CB 4.11Å; Y201-L254 HydrophobicContact CE1-CB 4.15Å; Y201-L254 HydrophobicContact CE1-CD1 3.71Å; Y201-L254 HydrophobicContact CE1-CG 4.34Å; Y201-L254 HydrophobicContact CE2-CB 3.9Å; Y201-L254 HydrophobicContact CG-CB 4.33Å; L222-L254 HydrophobicContact CD2-CD1 4.01Å; I225-L254 HydrophobicContact CD1-CD1 4.21Å; I225-L254 HydrophobicContact CG2-CD2 3.52Å; A244-L254 HydrophobicContact CB-CD2 3.66Å; T250-L254 PolarHBondContact O-N 3.11Å; P251-L254 PolarHBondContact O-N 2.75Å; D252-L254 VanDerWaalsContact C-N 3.33Å; L254-E256 VanDerWaalsContact C-N 3.33Å; L254-E256 PolarHBondContact O-N 3.45Å; L254-L257 WeakPolarHBondContact O-CB 3.36Å; L254-L257 PolarHBondContact O-N 3.19Å; L254-I258 HydrophobicContact CD1-CD1 4.01Å; L254-I258 HydrophobicContact CD1-CG1 4.29Å; L254-I258 HydrophobicContact CG-CD1 4.08Å; L254-I258 WeakPolarHBondContact O-CG1 3.49Å; L254-I258 PolarHBondContact O-N 3.26Å; L254-I258 VanDerWaalsContact O-N 3.11Å; L254-W330 HydrophobicContact CD2-CZ3 4.24Å; L254-Y334 HydrophobicContact CB-CD1 4.2Å; L254-Y334 HydrophobicContact CB-CE1 4.16Å; L254-Y334 HydrophobicContact CD2-CD1 3.62Å; L254-Y334 HydrophobicContact CD2-CE1 3.68Å; L254-Y334 HydrophobicContact CD2-CG 4.39Å; L254-Y334 HydrophobicContact CG-CD1 3.79Å; L254-Y334 HydrophobicContact CG-CE1 4.11Å; L254-F336 HydrophobicContact CD1-CZ 4.43Å; L254-F336 HydrophobicContact CD2-CE2 4.48Å
255K98.9Very high98.7Very high12 Ų1220.6 Ų20.65%0.05212%0.124CC..Hα-helixtrans-59.7-45.3174.1-67.3171.3-175.6169.40111Y169 P251 D252 L257 I258 D259 E333 Y334Y169-K255 HydrophobicContact CD1-CB 3.52Å; Y169-K255 HydrophobicContact CD1-CD 4.27Å; Y169-K255 HydrophobicContact CE1-CB 4.11Å; Y169-K255 HydrophobicContact CG-CB 4Å; Y169-K255 HydrophobicContact CG-CD 4.49Å; P251-K255 WeakPolarHBondContact O-CG 3.42Å; P251-K255 PolarHBondContact O-N 3.24Å; P251-K255 VanDerWaalsContact O-N 3.1Å; D252-K255 WeakPolarHBondContact O-CB 3.04Å; D252-K255 PolarHBondContact O-N 3.17Å; D252-K255 IonicContact OD1-NZ 3.14Å; D252-K255 PolarHBondContact OD1-NZ 2.7Å; D252-K255 VanDerWaalsContact OD1-NZ 3.17Å; K255-L257 PolarHBondContact O-N 3.41Å; K255-I258 PolarHBondContact O-N 2.76Å; K255-D259 VanDerWaalsContact O-CB 3.32Å; K255-D259 WeakPolarHBondContact O-CB 3.49Å; K255-D259 PolarHBondContact O-N 2.92Å; K255-E333 VanDerWaalsContact CE-O 3.24Å; K255-E333 WeakPolarHBondContact CE-O 3.34Å; K255-E333 WeakPolarHBondContact CE-OE1 3.38Å; K255-E333 IonicContact NZ-OE1 3.78Å; K255-E333 PolarHBondContact NZ-OE1 3.38Å; K255-Y334 HydrophobicContact CG-CD1 3.8Å; K255-Y334 HydrophobicContact CG-CE1 4.26Å
256E98.8Very high98.7Very high65 Ų6520.8 Ų20.830%0.30413%0.125SC..Hα-helixtrans-59.2-44.1175.3-175.2177.9-158.900112Y169 D252 L254 I258 D259 V260Y169-E256 HydrophobicContact CD2-CB 4.23Å; Y169-E256 HydrophobicContact CE2-CB 3.66Å; Y169-E256 HydrophobicContact CE2-CG 4.01Å; D252-E256 PolarHBondContact O-N 3.33Å; L254-E256 VanDerWaalsContact C-N 3.33Å; L254-E256 PolarHBondContact O-N 3.45Å; E256-I258 VanDerWaalsContact C-N 3.35Å; E256-I258 PolarHBondContact O-N 2.92Å; E256-D259 PolarHBondContact O-N 2.86Å; E256-V260 HydrophobicContact CG-CG2 4.2Å; E256-V260 WeakPolarHBondContact O-CB 3.1Å; E256-V260 VanDerWaalsContact O-CG2 3.27Å; E256-V260 WeakPolarHBondContact O-CG2 3.49Å; E256-V260 PolarHBondContact O-N 3.27Å
257L98.9Very high98.7Very high0 Ų019.9 Ų19.90%012%0.119CC..Hα-helixtrans-54.7-50.3176.2-176.3167.9000111.6V189 Y201 F204 T205 L222 E253 L254 K255 V260 A261V189-L257 HydrophobicContact CG2-CD1 4.36Å; Y201-L257 HydrophobicContact CD1-CD1 3.81Å; Y201-L257 HydrophobicContact CG-CD1 4.47Å; F204-L257 HydrophobicContact CB-CD1 4.04Å; F204-L257 HydrophobicContact CD1-CD1 3.73Å; F204-L257 HydrophobicContact CD1-CD2 4.28Å; F204-L257 HydrophobicContact CD1-CG 4.09Å; F204-L257 HydrophobicContact CG-CD1 4.17Å; T205-L257 VanDerWaalsContact OG1-CA 3.31Å; T205-L257 WeakPolarHBondContact OG1-CA 3.47Å; T205-L257 VanDerWaalsContact OG1-CB 3.3Å; T205-L257 WeakPolarHBondContact OG1-CB 3.36Å; L222-L257 HydrophobicContact CD2-CD2 4.32Å; E253-L257 PolarHBondContact O-N 3.36Å; L254-L257 WeakPolarHBondContact O-CB 3.36Å; L254-L257 PolarHBondContact O-N 3.19Å; K255-L257 PolarHBondContact O-N 3.41Å; L257-V260 PolarHBondContact O-N 3.32Å; L257-A261 PolarHBondContact O-N 3.02Å
258I98.9Very high98.8Very high0 Ų018.1 Ų18.10%011%0.112CC..Hα-helixtrans-66.9-42.6-177.8-63.4164.5000110.4L254 K255 E256 V260 A261 H262 V268 Y334 F336L254-I258 HydrophobicContact CD1-CD1 4.01Å; L254-I258 HydrophobicContact CD1-CG1 4.29Å; L254-I258 HydrophobicContact CG-CD1 4.08Å; L254-I258 WeakPolarHBondContact O-CG1 3.49Å; L254-I258 PolarHBondContact O-N 3.26Å; L254-I258 VanDerWaalsContact O-N 3.11Å; K255-I258 PolarHBondContact O-N 2.76Å; E256-I258 VanDerWaalsContact C-N 3.35Å; E256-I258 PolarHBondContact O-N 2.92Å; I258-V260 PolarHBondContact O-N 3.41Å; I258-A261 WeakPolarHBondContact O-CB 3.48Å; I258-A261 PolarHBondContact O-N 2.68Å; I258-H262 PolarHBondContact O-CD2 3.09Å; I258-H262 VanDerWaalsContact O-CG 3.31Å; I258-H262 PolarHBondContact O-N 3.01Å; I258-V268 HydrophobicContact CG1-CG1 4.38Å; I258-V268 HydrophobicContact CG2-CB 4.39Å; I258-V268 HydrophobicContact CG2-CG2 4.3Å; I258-Y334 WeakPolarHBondContact CD1-O 3.24Å; I258-Y334 WeakPolarHBondContact CG2-O 3.43Å; I258-F336 HydrophobicContact CD1-CD1 4.12Å; I258-F336 HydrophobicContact CD1-CD2 3.91Å; I258-F336 HydrophobicContact CD1-CE1 3.8Å; I258-F336 HydrophobicContact CD1-CE2 3.56Å; I258-F336 HydrophobicContact CD1-CG 4.18Å; I258-F336 HydrophobicContact CD1-CZ 3.51Å; I258-F336 HydrophobicContact CG1-CE1 4.36Å; I258-F336 HydrophobicContact CG1-CZ 4.43Å
259D98.9Very high98.8Very high0 Ų018 Ų180%011%0.112CC..Hα-helixtrans-62.5-40.7177.6-164.312000112.5Y169 Q171 I172 H173 K255 E256 H262 S263Y169-D259 HydrophobicContact CE1-CB 4.01Å; Y169-D259 WeakPolarHBondContact CE1-OD2 3.26Å; Y169-D259 WeakPolarHBondContact OH-CB 3.49Å; Y169-D259 PolarHBondContact OH-OD2 2.87Å; Q171-D259 PolarHBondContact NE2-OD1 3.35Å; Q171-D259 VanDerWaalsContact NE2-OD1 3.13Å; I172-D259 WeakPolarHBondContact CB-OD2 3.5Å; I172-D259 PolarHBondContact N-OD1 3.11Å; I172-D259 PolarHBondContact N-OD2 3.03Å; H173-D259 WeakPolarHBondContact CA-OD1 3.42Å; H173-D259 WeakPolarHBondContact CB-OD1 3.5Å; H173-D259 IonicContact CE1-OD1 2.67Å; H173-D259 IonicContact CG-OD1 2.79Å; H173-D259 PolarHBondContact N-OD1 3.06Å; H173-D259 PolarHBondContact ND1-O 2.97Å; H173-D259 IonicContact ND1-OD1 3.18Å; H173-D259 PolarHBondContact ND1-OD1 2.91Å; H173-D259 IonicContact ND1-OD2 2.73Å; K255-D259 VanDerWaalsContact O-CB 3.32Å; K255-D259 WeakPolarHBondContact O-CB 3.49Å; K255-D259 PolarHBondContact O-N 2.92Å; E256-D259 PolarHBondContact O-N 2.86Å; D259-H262 WeakPolarHBondContact O-CB 3.31Å; D259-H262 PolarHBondContact O-N 3.42Å; D259-S263 PolarHBondContact O-N 3.26Å
260V98.9Very high98.8Very high30 Ų3017.3 Ų17.318%0.18210%0.104CC..Hα-helixtrans-67.3-39.1174.21730000110.9T205 L209 E256 L257 I258 H262 S263 M264T205-V260 HydrophobicContact CG2-CB 3.77Å; T205-V260 HydrophobicContact CG2-CG1 3.81Å; T205-V260 HydrophobicContact CG2-CG2 3.79Å; L209-V260 HydrophobicContact CD1-CB 4.12Å; L209-V260 HydrophobicContact CD1-CG1 3.82Å; E256-V260 HydrophobicContact CG-CG2 4.2Å; E256-V260 WeakPolarHBondContact O-CB 3.1Å; E256-V260 VanDerWaalsContact O-CG2 3.27Å; E256-V260 WeakPolarHBondContact O-CG2 3.49Å; E256-V260 PolarHBondContact O-N 3.27Å; L257-V260 PolarHBondContact O-N 3.32Å; I258-V260 PolarHBondContact O-N 3.41Å; V260-H262 VanDerWaalsContact C-N 3.31Å; V260-H262 PolarHBondContact O-N 3.23Å; V260-S263 WeakPolarHBondContact O-CB 3.46Å; V260-S263 PolarHBondContact O-N 2.93Å; V260-S263 PolarHBondContact O-OG 2.8Å; V260-M264 HydrophobicContact CG1-CE 3.78Å; V260-M264 WeakPolarHBondContact O-CG 3.46Å; V260-M264 PolarHBondContact O-N 2.9Å
261A98.9Very high98.8Very high0 Ų016.6 Ų16.60%010%0.099CC..Hα-helixtrans-61.2-40.5172.700000111.7L209 L257 I258 M264 G265 I266 V268L209-A261 HydrophobicContact CD1-CB 4.13Å; L209-A261 HydrophobicContact CD2-CB 4.14Å; L257-A261 PolarHBondContact O-N 3.02Å; I258-A261 WeakPolarHBondContact O-CB 3.48Å; I258-A261 PolarHBondContact O-N 2.68Å; A261-M264 CarbonylContact O-C 3.47Å; A261-M264 WeakPolarHBondContact O-CA 3.34Å; A261-M264 WeakPolarHBondContact O-CB 3.42Å; A261-M264 PolarHBondContact O-N 2.88Å; A261-G265 PolarHBondContact O-N 2.87Å; A261-I266 HydrophobicContact CB-CB 4.45Å; A261-I266 WeakPolarHBondContact O-CB 3.25Å; A261-I266 PolarHBondContact O-N 2.81Å; A261-V268 HydrophobicContact CB-CG2 3.55Å
262H98.9Very high98.8Very high9 Ų916.5 Ų16.54%0.04210%0.099CC..Hα-helixtrans-63.1-40.9174.5-70.5-177.7000112.5H173 P176 I258 D259 V260 M264 G265 I266 C335 D337H173-H262 HydrophobicContact CB-CB 4.08Å; P176-H262 VanDerWaalsContact CD-CD2 3.43Å; P176-H262 WeakPolarHBondContact CD-CD2 3.48Å; P176-H262 HydrophobicContact CG-CB 4.39Å; I258-H262 PolarHBondContact O-CD2 3.09Å; I258-H262 VanDerWaalsContact O-CG 3.31Å; I258-H262 PolarHBondContact O-N 3.01Å; D259-H262 WeakPolarHBondContact O-CB 3.31Å; D259-H262 PolarHBondContact O-N 3.42Å; V260-H262 VanDerWaalsContact C-N 3.31Å; V260-H262 PolarHBondContact O-N 3.23Å; H262-M264 PolarHBondContact O-N 3.23Å; H262-M264 VanDerWaalsContact O-N 3.11Å; H262-G265 PolarHBondContact O-N 2.91Å; H262-I266 PolarHBondContact CD2-O 3.17Å; H262-C335 PolarHBondContact CE1-O 3.33Å; H262-D337 IonicContact CD2-OD2 3.32Å; H262-D337 IonicContact CE1-OD1 3.95Å; H262-D337 IonicContact CE1-OD2 2.96Å; H262-D337 IonicContact NE2-OD1 3.41Å; H262-D337 PolarHBondContact NE2-OD1 3Å; H262-D337 IonicContact NE2-OD2 3.45Å; H262-D337 PolarHBondContact NE2-OD2 3.17Å
263S98.8Very high98.8Very high57 Ų5715.6 Ų15.640%0.3999%0.094SC..Hα-helixtrans-57.5-25.6172.487.50000112.8H173 D259 V260H173-S263 VanDerWaalsContact CD2-CB 3.4Å; H173-S263 WeakPolarHBondContact CD2-CB 3.45Å; H173-S263 WeakPolarHBondContact NE2-CB 3.43Å; D259-S263 PolarHBondContact O-N 3.26Å; V260-S263 WeakPolarHBondContact O-CB 3.46Å; V260-S263 PolarHBondContact O-N 2.93Å; V260-S263 PolarHBondContact O-OG 2.8Å
264M98.8Very high98.8Very high43 Ų4313.2 Ų13.221%0.2128%0.083CC..THydrogen-bonded Turntrans-90.1-1.3177.4-64-175-172.200113.6L209 P210 K213 V260 A261 H262 I266L209-M264 HydrophobicContact CB-CE 4.2Å; L209-M264 HydrophobicContact CB-SD 3.98Å; P210-M264 HydrophobicContact CG-CE 4.4Å; K213-M264 HydrophobicContact CB-SD 4.34Å; K213-M264 HydrophobicContact CD-CB 3.86Å; K213-M264 HydrophobicContact CD-CG 3.97Å; K213-M264 HydrophobicContact CD-SD 4.02Å; K213-M264 HydrophobicContact CG-CB 4.5Å; V260-M264 HydrophobicContact CG1-CE 3.78Å; V260-M264 WeakPolarHBondContact O-CG 3.46Å; V260-M264 PolarHBondContact O-N 2.9Å; A261-M264 CarbonylContact O-C 3.47Å; A261-M264 WeakPolarHBondContact O-CA 3.34Å; A261-M264 WeakPolarHBondContact O-CB 3.42Å; A261-M264 PolarHBondContact O-N 2.88Å; H262-M264 PolarHBondContact O-N 3.23Å; H262-M264 VanDerWaalsContact O-N 3.11Å; M264-I266 VanDerWaalsContact C-N 3.34Å; M264-I266 HydrophobicContact CB-CD1 3.98Å; M264-I266 HydrophobicContact CB-CG1 4.19Å
265G98.5Very high98.8Very high45 Ų4513.2 Ų13.246%0.4648%0.083SC..THydrogen-bonded Turntrans74.822.3-177.200000113.7A261 H262A261-G265 PolarHBondContact O-N 2.87Å; H262-G265 PolarHBondContact O-N 2.91Å
266I98.9Very high98.8Very high3 Ų313 Ų132%0.0158%0.082CC..  trans-103124.5-177.4-63.3171.3000108.6I212 K213 I220 A261 H262 M264I212-I266 HydrophobicContact CG2-CD1 4.3Å; K213-I266 HydrophobicContact CB-CD1 4Å; K213-I266 HydrophobicContact CG-CD1 4.42Å; I220-I266 HydrophobicContact CB-CG2 4.48Å; I220-I266 HydrophobicContact CD1-CG2 3.78Å; I220-I266 HydrophobicContact CG1-CG2 3.71Å; A261-I266 HydrophobicContact CB-CB 4.45Å; A261-I266 WeakPolarHBondContact O-CB 3.25Å; A261-I266 PolarHBondContact O-N 2.81Å; H262-I266 PolarHBondContact CD2-O 3.17Å; M264-I266 VanDerWaalsContact C-N 3.34Å; M264-I266 HydrophobicContact CB-CD1 3.98Å; M264-I266 HydrophobicContact CB-CG1 4.19Å
267V98.9Very high98.8Very high2 Ų29.9 Ų9.91%0.0127%0.068CC..EExtended strand (participates in β ladder)trans-76.2146171.4-59.30000110P176 P179 L182 N218 C219 I220 D337 I393P176-V267 HydrophobicContact CB-CG1 3.94Å; P176-V267 HydrophobicContact CG-CG1 4.28Å; P179-V267 HydrophobicContact CG-CG1 4.27Å; P179-V267 HydrophobicContact CG-CG2 4.25Å; L182-V267 HydrophobicContact CD2-CG2 4.45Å; N218-V267 WeakPolarHBondContact O-CG2 3.29Å; N218-V267 PolarHBondContact O-N 2.76Å; C219-V267 CarbonylContact C-O 3.58Å; C219-V267 VanDerWaalsContact CA-O 3.23Å; C219-V267 WeakPolarHBondContact CA-O 3.45Å; C219-V267 HydrophobicContact CB-CG2 3.64Å; I220-V267 PolarHBondContact N-O 3.06Å; V267-D337 VanDerWaalsContact CA-OD2 3.27Å; V267-D337 WeakPolarHBondContact CA-OD2 3.3Å; V267-D337 HydrophobicContact CB-CB 3.91Å; V267-D337 HydrophobicContact CG1-CB 4.37Å; V267-I393 HydrophobicContact CG2-CD1 4.29Å
268V98.9Very high98.8Very high0 Ų010.2 Ų10.20%07%0.07CC..EExtended strand (participates in β ladder)trans-121.5120.4-179.5-1690000109.3I220 L222 I258 A261 F336 D337I220-V268 HydrophobicContact CB-CG1 4.41Å; I220-V268 HydrophobicContact CG2-CG1 4.47Å; L222-V268 HydrophobicContact CB-CG1 4.3Å; L222-V268 HydrophobicContact CD2-CG1 4.44Å; I258-V268 HydrophobicContact CG1-CG1 4.38Å; I258-V268 HydrophobicContact CG2-CB 4.39Å; I258-V268 HydrophobicContact CG2-CG2 4.3Å; A261-V268 HydrophobicContact CB-CG2 3.55Å; V268-F336 HydrophobicContact CB-CD1 4.29Å; V268-F336 HydrophobicContact CG1-CD1 3.86Å; V268-F336 HydrophobicContact CG1-CE1 3.71Å; V268-D337 PolarHBondContact N-OD2 3.33Å; V268-D337 PolarHBondContact O-N 3.06Å
269L98.9Very high98.7Very high0 Ų012.8 Ų12.80%08%0.081CC..EExtended strand (participates in β ladder)trans-101.9146175-50.2-177.9000109.6I220 L222 D337 G338 I393 I395I220-L269 PolarHBondContact O-N 2.9Å; L222-L269 PolarHBondContact N-O 3.01Å; L269-D337 HydrophobicContact CD2-CB 4.44Å; L269-G338 WeakPolarHBondContact CA-O 3.15Å; L269-I393 HydrophobicContact CD1-CG2 4Å; L269-I393 HydrophobicContact CD2-CB 3.94Å; L269-I393 HydrophobicContact CD2-CD1 4.34Å; L269-I393 HydrophobicContact CD2-CG2 4.29Å; L269-I395 HydrophobicContact CD1-CD1 3.61Å; L269-I395 HydrophobicContact CD1-CG1 4.31Å
270L98.9Very high98.7Very high0 Ų015.9 Ų15.90%010%0.098CC..EExtended strand (participates in β ladder)trans-102.5140.1175.7167.267.1000110.7Q221 I225 V272 W330 F336 G338 F339 R340Q221-L270 PolarHBondContact NE2-O 3.39Å; I225-L270 HydrophobicContact CB-CD1 3.49Å; I225-L270 VanDerWaalsContact CB-CD1 3.49Å; I225-L270 HydrophobicContact CG1-CD1 4Å; I225-L270 HydrophobicContact CG2-CD1 3.89Å; L270-V272 HydrophobicContact CD2-CG2 4.07Å; L270-V272 HydrophobicContact CG-CG2 4.13Å; L270-V272 PolarHBondContact O-N 3.38Å; L270-W330 HydrophobicContact CD2-CB 3.66Å; L270-W330 HydrophobicContact CD2-CD2 3.42Å; L270-W330 VanDerWaalsContact CD2-CD2 3.42Å; L270-W330 HydrophobicContact CD2-CE3 3.96Å; L270-W330 HydrophobicContact CD2-CG 3.26Å; L270-F336 HydrophobicContact CB-CB 4.46Å; L270-F336 HydrophobicContact CB-CD1 3.62Å; L270-F336 HydrophobicContact CB-CD2 4.08Å; L270-F336 HydrophobicContact CB-CE1 3.7Å; L270-F336 HydrophobicContact CB-CE2 4.17Å; L270-F336 HydrophobicContact CB-CG 3.81Å; L270-F336 HydrophobicContact CB-CZ 3.98Å; L270-F336 HydrophobicContact CD1-CE1 4.44Å; L270-F336 HydrophobicContact CD1-CE2 4.37Å; L270-F336 HydrophobicContact CD1-CZ 4.05Å; L270-F336 HydrophobicContact CD2-CD2 4.25Å; L270-F336 HydrophobicContact CD2-CE2 4.2Å; L270-F336 HydrophobicContact CG-CE2 4.49Å; L270-F336 HydrophobicContact CG-CZ 4.45Å; L270-G338 PolarHBondContact N-O 2.94Å; L270-F339 HydrophobicContact CB-CD1 3.82Å; L270-F339 HydrophobicContact CB-CE1 4.07Å; L270-F339 HydrophobicContact CD2-CD1 4.2Å; L270-F339 HydrophobicContact CD2-CE1 3.94Å; L270-F339 HydrophobicContact CG-CD1 4.25Å; L270-F339 HydrophobicContact CG-CE1 4.44Å; L270-F339 CarbonylContact O-C 3.56Å; L270-F339 WeakPolarHBondContact O-CA 3.48Å; L270-R340 PolarHBondContact O-N 2.65Å
271D98.8Very high98.6Very high6 Ų616.8 Ų16.83%0.03210%0.104CC..EExtended strand (participates in β ladder)trans-70.6117.6160.7-85.414.5000110.5Q221 L222 M223 R340 D342Q221-D271 WeakPolarHBondContact CG-OD1 3.48Å; Q221-D271 PolarHBondContact NE2-OD1 2.82Å; L222-D271 PolarHBondContact O-N 3.19Å; L222-D271 VanDerWaalsContact O-N 3.16Å; M223-D271 WeakPolarHBondContact CB-OD2 3.29Å; M223-D271 VanDerWaalsContact CG-OD2 3.26Å; M223-D271 WeakPolarHBondContact CG-OD2 3.35Å; D271-R340 IonicContact OD1-CZ 3.08Å; D271-R340 VanDerWaalsContact OD1-CZ 3.28Å; D271-R340 IonicContact OD1-NE 3.92Å; D271-R340 PolarHBondContact OD1-NE 2.8Å; D271-R340 VanDerWaalsContact OD1-NE 3.11Å; D271-R340 IonicContact OD1-NH2 3.05Å; D271-R340 PolarHBondContact OD1-NH2 3.42Å; D271-R340 IonicContact OD2-CZ 3.59Å; D271-R340 IonicContact OD2-NE 3.77Å; D271-R340 IonicContact OD2-NH2 3.88Å; D271-R340 PolarHBondContact OD2-NH2 2.95Å; D271-D342 WeakPolarHBondContact CB-OD2 3.43Å; D271-D342 VanDerWaalsContact CG-OD2 3.3Å
272V98.8Very high98.4Very high0 Ų021.1 Ų21.10%012%0.124CC..EExtended strand (participates in β ladder)trans-107.6110.3175173.90000108.9L270 H274 L327 F339 R340 F341 D342L270-V272 HydrophobicContact CD2-CG2 4.07Å; L270-V272 HydrophobicContact CG-CG2 4.13Å; L270-V272 PolarHBondContact O-N 3.38Å; V272-H274 HydrophobicContact CG1-CB 4.14Å; V272-H274 VanDerWaalsContact CG1-CD2 3.43Å; V272-H274 WeakPolarHBondContact CG1-CD2 3.33Å; V272-H274 VanDerWaalsContact CG1-CG 3.41Å; V272-H274 PolarHBondContact O-N 3.04Å; V272-L327 HydrophobicContact CG1-CD2 3.94Å; V272-L327 HydrophobicContact CG2-CD2 4.07Å; V272-F339 HydrophobicContact CG2-CB 3.98Å; V272-F339 HydrophobicContact CG2-CD1 3.24Å; V272-F339 HydrophobicContact CG2-CE1 3.89Å; V272-F339 HydrophobicContact CG2-CG 3.76Å; V272-R340 PolarHBondContact N-O 3.46Å; V272-F341 HydrophobicContact CG1-CD1 4.43Å; V272-F341 HydrophobicContact CG1-CE1 4.41Å; V272-F341 WeakPolarHBondContact O-CA 3.47Å; V272-D342 PolarHBondContact O-N 3.33Å; V272-D342 VanDerWaalsContact O-N 3.09Å
273V98.7Very high98.2Very high4 Ų421 Ų212%0.02412%0.124CC..  trans-9781.5176-171.80000108.6Y236 I238 F241 D342Y236-V273 HydrophobicContact CD1-CG2 4.18Å; I238-V273 HydrophobicContact CD1-CB 4.35Å; I238-V273 HydrophobicContact CD1-CG2 4.36Å; I238-V273 HydrophobicContact CG1-CB 3.69Å; I238-V273 HydrophobicContact CG1-CG1 4.16Å; I238-V273 HydrophobicContact CG1-CG2 4.23Å; F241-V273 WeakPolarHBondContact CE1-O 3.25Å; V273-D342 HydrophobicContact CG2-CB 4.27Å
274H98.9Very high98.2Very high1 Ų118.5 Ų18.51%0.00511%0.107CC..  trans-101.34.1173.5-73.6-176.9000112.9V272 F312 Y314 L323 N326 Y377V272-H274 HydrophobicContact CG1-CB 4.14Å; V272-H274 VanDerWaalsContact CG1-CD2 3.43Å; V272-H274 WeakPolarHBondContact CG1-CD2 3.33Å; V272-H274 VanDerWaalsContact CG1-CG 3.41Å; V272-H274 PolarHBondContact O-N 3.04Å; H274-F312 WeakPolarHBondContact O-CD2 3.14Å; H274-Y314 PolarHBondContact O-OH 2.92Å; H274-L323 HydrophobicContact CB-CD2 4.33Å; H274-L323 PolarHBondContact CE1-O 2.83Å; H274-N326 PolarHBondContact NE2-OD1 3.47Å; H274-N326 VanDerWaalsContact NE2-OD1 3.08Å; H274-Y377 HydrophobicContact CB-CE1 4.38Å; H274-Y377 AromaticContact ND1-CZ 3.85Å; H274-Y377 PolarHBondContact ND1-OH 3.39Å
275S98.7Very high98.2Very high1 Ų116.8 Ų16.81%0.00710%0.098CC..SBendtrans-72.7-31177.749.90000113.3L311 Y314 D342S275-L311 WeakPolarHBondContact O-CD2 3.49Å; S275-Y314 PolarHBondContact O-OH 3.39Å; S275-D342 VanDerWaalsContact CB-O 3.27Å; S275-D342 WeakPolarHBondContact CB-O 3.3Å; S275-D342 PolarHBondContact OG-O 3Å
276H98.8Very high98.2Very high6 Ų615.5 Ų15.53%0.0288%0.081CC..  trans-158.9175.2-178.664.4-75.6000111.4Y236 W307 S309 R310 L311Y236-H276 PolarHBondContact O-CE1 2.8Å; Y236-H276 PolarHBondContact O-NE2 3.04Å; H276-W307 HydrophobicContact CB-CE3 4.5Å; H276-W307 AromaticContact CE1-CE3 3.68Å; H276-W307 AromaticContact CE1-CZ3 3.84Å; H276-W307 AromaticContact CG-CE3 3.9Å; H276-W307 AromaticContact ND1-CE3 3.52Å; H276-W307 AromaticContact ND1-CZ3 3.47Å; H276-W307 WeakPolarHBondContact ND1-CZ3 3.25Å; H276-S309 VanDerWaalsContact CD2-CB 3.45Å; H276-S309 WeakPolarHBondContact CD2-CB 3.39Å; H276-S309 PolarHBondContact CD2-OG 3.26Å; H276-S309 VanDerWaalsContact CD2-OG 3.26Å; H276-R310 CarbonylContact C-O 3.52Å; H276-R310 VanDerWaalsContact CA-O 3.25Å; H276-R310 WeakPolarHBondContact CA-O 3.34Å; H276-R310 WeakPolarHBondContact CB-O 3.29Å; H276-L311 HydrophobicContact CB-CD2 4.1Å
277A98.8Very high98.1Very high0 Ų016.3 Ų16.30%09%0.088CC..EExtended strand (participates in β ladder)trans-133.2156.617000000110.9F241 F296 S309 R310 F312F241-A277 HydrophobicContact CE2-CB 3.94Å; F241-A277 HydrophobicContact CZ-CB 3.74Å; A277-F296 HydrophobicContact CB-CE1 3.58Å; A277-F296 HydrophobicContact CB-CZ 3.61Å; A277-S309 WeakPolarHBondContact O-CB 3.41Å; A277-R310 PolarHBondContact N-O 2.84Å; A277-R310 PolarHBondContact O-N 3.38Å; A277-F312 HydrophobicContact CB-CE2 4.41Å; A277-F312 HydrophobicContact CB-CZ 4.14Å
278S98.5Very high98.1Very high7 Ų716.3 Ų16.35%0.0499%0.088CC..EExtended strand (participates in β ladder)trans-59.1147.1173.8-179.90000112.3I238 N280I238-S278 WeakPolarHBondContact O-CB 3.15Å; I238-S278 PolarHBondContact O-N 3.08Å; S278-N280 PolarHBondContact O-N 3.21Å; S278-N280 WeakPolarHBondContact OG-CB 3.14Å; S278-N280 PolarHBondContact OG-N 3.27Å; S278-N280 PolarHBondContact OG-OD1 3.31Å
279K97.4Very high98Very high55 Ų5516.4 Ų16.424%0.2399%0.088CC..SBendtrans-72.5-5171.3-81.1-173.2179.3-177.10114T281 N286 E303 D308 R310K279-T281 PolarHBondContact O-N 2.77Å; K279-N286 WeakPolarHBondContact O-CB 3.32Å; K279-N286 PolarHBondContact O-ND2 3.03Å; K279-E303 IonicContact NZ-OE1 3.87Å; K279-E303 PolarHBondContact NZ-OE1 3.06Å; K279-E303 IonicContact NZ-OE2 3.17Å; K279-D308 VanDerWaalsContact CD-O 3.29Å; K279-D308 WeakPolarHBondContact CD-O 3.49Å; K279-D308 WeakPolarHBondContact CD-OD1 3.36Å; K279-D308 VanDerWaalsContact CE-OD1 3.27Å; K279-D308 WeakPolarHBondContact CE-OD1 3.42Å; K279-D308 WeakPolarHBondContact CG-O 3.46Å; K279-D308 IonicContact NZ-OD1 3.38Å; K279-D308 PolarHBondContact NZ-OD1 2.91Å; K279-R310 HydrophobicContact CG-CG 4.05Å
280N97.7Very high98Very high64 Ų6418.1 Ų18.134%0.34211%0.106SC..  trans-55.6127.5174.7-80.133.4000112T239 S278 D283 G284 N286T239-N280 HydrophobicContact CG2-CB 4.14Å; S278-N280 PolarHBondContact O-N 3.21Å; S278-N280 WeakPolarHBondContact OG-CB 3.14Å; S278-N280 PolarHBondContact OG-N 3.27Å; S278-N280 PolarHBondContact OG-OD1 3.31Å; N280-D283 VanDerWaalsContact CB-OD1 3.26Å; N280-D283 WeakPolarHBondContact CB-OD1 3.43Å; N280-D283 PolarHBondContact ND2-OD1 3.5Å; N280-G284 CarbonylContact O-C 3.5Å; N280-G284 WeakPolarHBondContact O-CA 3.24Å; N280-N286 VanDerWaalsContact O-CB 3.28Å; N280-N286 WeakPolarHBondContact O-CB 3.36Å; N280-N286 PolarHBondContact O-N 2.79Å
281T97.3Very high97.9Very high50 Ų5019.3 Ų19.331%0.30711%0.114SC..SBendtrans-103-34-17856.10000113.7R141 K279 N286 A287R141-T281 WeakPolarHBondContact CD-O 3.29Å; R141-T281 PolarHBondContact NE-O 2.8Å; R141-T281 PolarHBondContact NH1-O 3.38Å; K279-T281 PolarHBondContact O-N 2.77Å; T281-N286 WeakPolarHBondContact CA-O 3.1Å; T281-N286 HydrophobicContact CG2-CB 3.98Å; T281-A287 HydrophobicContact CG2-CB 3.94Å
282E94.8Very high97.7Very high91 Ų9122.2 Ų22.243%0.42513%0.13SC..SBendtrans-79.2-34.4-176.8-67.3-163.6-13400113.3I157I157-E282 WeakPolarHBondContact CD1-OE2 3.44Å; I157-E282 HydrophobicContact CG1-CB 4.4Å; I157-E282 HydrophobicContact CG2-CB 3.98Å
283D95.2Very high97.5Very high7 Ų724.5 Ų24.54%0.03715%0.146CC..SBendtrans-1224.6179.354.34000113.9I142 I157 Y158 T239 N280I142-D283 HydrophobicContact CD1-CB 3.95Å; I157-D283 HydrophobicContact CG2-CB 4.18Å; Y158-D283 PolarHBondContact N-OD2 3.35Å; T239-D283 WeakPolarHBondContact CB-O 3.3Å; N280-D283 VanDerWaalsContact CB-OD1 3.26Å; N280-D283 WeakPolarHBondContact CB-OD1 3.43Å; N280-D283 PolarHBondContact ND2-OD1 3.5Å
284G97.3Very high97.4Very high4 Ų424.7 Ų24.74%0.04115%0.147CC..SBendtrans-119.6-177.7177.600000113.5N280 N286N280-G284 CarbonylContact O-C 3.5Å; N280-G284 WeakPolarHBondContact O-CA 3.24Å; G284-N286 VanDerWaalsContact C-N 3.33Å
285L98.6Very high97.4Very high6 Ų624.8 Ų24.83%0.03115%0.148CC..SBendtrans-78.3-17.5-178.9-169.760.4000113.2P144 F241 F288 F295 F296 F312 F322P144-L285 HydrophobicContact CB-CD1 3.62Å; P144-L285 HydrophobicContact CG-CD1 3.74Å; F241-L285 HydrophobicContact CD2-CD2 4.15Å; F241-L285 HydrophobicContact CE2-CB 4.38Å; F241-L285 HydrophobicContact CE2-CD2 3.92Å; L285-F288 PolarHBondContact O-N 3.45Å; L285-F295 HydrophobicContact CD1-CD1 4.36Å; L285-F295 HydrophobicContact CD1-CD2 3.45Å; L285-F295 VanDerWaalsContact CD1-CD2 3.45Å; L285-F295 HydrophobicContact CD1-CE1 4.37Å; L285-F295 HydrophobicContact CD1-CE2 3.48Å; L285-F295 VanDerWaalsContact CD1-CE2 3.48Å; L285-F295 HydrophobicContact CD1-CG 3.93Å; L285-F295 HydrophobicContact CD1-CZ 3.96Å; L285-F295 HydrophobicContact CD2-CB 3.98Å; L285-F295 HydrophobicContact CD2-CD1 4.17Å; L285-F295 HydrophobicContact CD2-CD2 4.22Å; L285-F295 HydrophobicContact CD2-CG 3.86Å; L285-F295 HydrophobicContact CG-CB 4.19Å; L285-F295 HydrophobicContact CG-CD2 3.77Å; L285-F295 HydrophobicContact CG-CE2 4.32Å; L285-F295 HydrophobicContact CG-CG 3.93Å; L285-F296 HydrophobicContact CB-CE2 4.38Å; L285-F296 HydrophobicContact CB-CZ 4Å; L285-F296 HydrophobicContact CD2-CE1 4.43Å; L285-F296 HydrophobicContact CD2-CE2 4.49Å; L285-F296 HydrophobicContact CD2-CZ 3.78Å; L285-F296 HydrophobicContact CG-CE2 4.1Å; L285-F296 HydrophobicContact CG-CZ 3.8Å; L285-F312 HydrophobicContact CD2-CE1 3.83Å; L285-F312 HydrophobicContact CD2-CZ 4.26Å; L285-F322 HydrophobicContact CD2-CE1 3.92Å; L285-F322 HydrophobicContact CD2-CZ 4.05Å
286N98.5Very high97.4Very high18 Ų1824.9 Ų24.910%0.09615%0.148CC..THydrogen-bonded Turntrans-63.7137.2-176-170.922.7000111.6K279 N280 T281 G284 F288 R310K279-N286 WeakPolarHBondContact O-CB 3.32Å; K279-N286 PolarHBondContact O-ND2 3.03Å; N280-N286 VanDerWaalsContact O-CB 3.28Å; N280-N286 WeakPolarHBondContact O-CB 3.36Å; N280-N286 PolarHBondContact O-N 2.79Å; T281-N286 WeakPolarHBondContact CA-O 3.1Å; T281-N286 HydrophobicContact CG2-CB 3.98Å; G284-N286 VanDerWaalsContact C-N 3.33Å; N286-F288 PolarHBondContact O-N 2.96Å; N286-F288 VanDerWaalsContact O-N 3.16Å; N286-R310 HydrophobicContact CB-CG 4.16Å; N286-R310 PolarHBondContact OD1-NH1 2.93Å
287A97.6Very high97.4Very high21 Ų2125.5 Ų25.517%0.17415%0.151CC..THydrogen-bonded Turntrans49.340.1179.600000114.1R141 T281 G290 S291R141-A287 PolarHBondContact NE-O 3.21Å; R141-A287 PolarHBondContact NH2-O 2.68Å; R141-A287 VanDerWaalsContact NH2-O 3.15Å; T281-A287 HydrophobicContact CG2-CB 3.94Å; A287-G290 PolarHBondContact O-N 2.77Å; A287-S291 VanDerWaalsContact CA-O 3.29Å; A287-S291 WeakPolarHBondContact CA-O 3.15Å
288F98.6Very high97.3Very high1 Ų128 Ų280%0.00417%0.168CC..THydrogen-bonded Turntrans-54.7-56-178175.4-113.9000111.6E75 W76 A77 V131 R141 P144 L285 N286 G290 F295E75-F288 HydrophobicContact CB-CZ 4.37Å; E75-F288 HydrophobicContact CG-CZ 4.47Å; W76-F288 WeakPolarHBondContact O-CD1 3.21Å; W76-F288 VanDerWaalsContact O-CE1 3.29Å; W76-F288 WeakPolarHBondContact O-CE1 3.46Å; A77-F288 HydrophobicContact CB-CD1 4.12Å; A77-F288 HydrophobicContact CB-CE1 3.74Å; V131-F288 WeakPolarHBondContact CG2-O 3.39Å; R141-F288 HydrophobicContact CB-CD2 3.78Å; R141-F288 HydrophobicContact CB-CE2 3.77Å; R141-F288 HydrophobicContact CG-CD2 3.99Å; R141-F288 HydrophobicContact CG-CE2 4.34Å; R141-F288 WeakPolarHBondContact CG-O 3.2Å; P144-F288 VanDerWaalsContact CD-CE2 3.42Å; P144-F288 VanDerWaalsContact CD-CZ 3.49Å; P144-F288 HydrophobicContact CG-CD1 4Å; P144-F288 HydrophobicContact CG-CD2 3.9Å; P144-F288 HydrophobicContact CG-CE1 3.94Å; P144-F288 HydrophobicContact CG-CE2 3.89Å; P144-F288 HydrophobicContact CG-CG 3.97Å; P144-F288 HydrophobicContact CG-CZ 3.9Å; L285-F288 PolarHBondContact O-N 3.45Å; N286-F288 PolarHBondContact O-N 2.96Å; N286-F288 VanDerWaalsContact O-N 3.16Å; F288-G290 VanDerWaalsContact C-N 3.26Å; F288-G290 PolarHBondContact O-N 3.2Å; F288-F295 HydrophobicContact CB-CE2 4.29Å; F288-F295 HydrophobicContact CD1-CE2 4.06Å; F288-F295 HydrophobicContact CG-CE2 4.38Å
289D98Very high97.1Very high2 Ų230.4 Ų30.41%0.01118%0.184CC..THydrogen-bonded Turntrans-88.611.1-179.272.8-8.3000113.9A77 P78 A79 A80 S291 C294A77-D289 HydrophobicContact CB-CB 3.52Å; P78-D289 VanDerWaalsContact CD-OD2 3.25Å; P78-D289 WeakPolarHBondContact CD-OD2 3.4Å; A79-D289 HydrophobicContact CB-CB 4.42Å; A79-D289 WeakPolarHBondContact CB-OD2 3.3Å; A79-D289 PolarHBondContact N-OD2 3.05Å; A80-D289 HydrophobicContact CB-CB 4.47Å; D289-S291 VanDerWaalsContact C-N 3.31Å; D289-S291 VanDerWaalsContact OD1-CB 3.29Å; D289-S291 WeakPolarHBondContact OD1-CB 3.26Å; D289-S291 PolarHBondContact OD1-N 3.19Å; D289-S291 PolarHBondContact OD1-OG 2.68Å; D289-C294 WeakPolarHBondContact OD1-CB 3.38Å
290G97.3Very high97.1Very high36 Ų3633.5 Ų33.537%0.37121%0.209SC..SBendtrans84.7-6.9-174.700000115L139 A287 F288L139-G290 VanDerWaalsContact CD1-CA 3.49Å; A287-G290 PolarHBondContact O-N 2.77Å; F288-G290 VanDerWaalsContact C-N 3.26Å; F288-G290 PolarHBondContact O-N 3.2Å
291S96.9Very high97Very high25 Ų2535.1 Ų35.118%0.17521%0.211CC..SBendtrans-91.9165.3172.875.20000112.3A287 D289 S293 C294A287-S291 VanDerWaalsContact CA-O 3.29Å; A287-S291 WeakPolarHBondContact CA-O 3.15Å; D289-S291 VanDerWaalsContact C-N 3.31Å; D289-S291 VanDerWaalsContact OD1-CB 3.29Å; D289-S291 WeakPolarHBondContact OD1-CB 3.26Å; D289-S291 PolarHBondContact OD1-N 3.19Å; D289-S291 PolarHBondContact OD1-OG 2.68Å; S291-S293 VanDerWaalsContact C-N 3.35Å; S291-S293 PolarHBondContact OG-N 3.23Å; S291-C294 PolarHBondContact OG-N 3.02Å
292D95.3Very high97Very high67 Ų6732.8 Ų32.836%0.35820%0.196SC..SBendtrans-79.9-15.617267.4-18000113.1S298 P299 R310D292-S298 VanDerWaalsContact CG-OG 3.28Å; D292-S298 PolarHBondContact OD1-OG 2.85Å; D292-S298 VanDerWaalsContact OD1-OG 3.09Å; D292-S298 WeakPolarHBondContact OD2-CA 3.22Å; D292-S298 WeakPolarHBondContact OD2-CB 3.31Å; D292-S298 PolarHBondContact OD2-OG 2.91Å; D292-P299 WeakPolarHBondContact OD2-CD 3.36Å; D292-R310 VanDerWaalsContact O-CZ 3.32Å; D292-R310 PolarHBondContact O-NH1 3.32Å; D292-R310 PolarHBondContact O-NH2 2.99Å
293S94.3Very high97.1Very high48 Ų4831.8 Ų31.834%0.33619%0.192SC..  trans-120.56.8-160.236.50000115.7S291 F296 S298S291-S293 VanDerWaalsContact C-N 3.35Å; S291-S293 PolarHBondContact OG-N 3.23Å; S293-F296 CarbonylContact C-O 3.55Å; S293-F296 VanDerWaalsContact C-O 3.23Å; S293-F296 WeakPolarHBondContact CA-O 3.2Å; S293-S298 WeakPolarHBondContact CB-OG 3.14Å
294C97.8Very high97.2Very high9 Ų931.5 Ų31.56%0.06119%0.19CC..SBendtrans-52.4-73.3-179.8179.60000112.7W76 D289 S291W76-C294 WeakPolarHBondContact CH2-O 3.32Å; W76-C294 WeakPolarHBondContact CZ3-O 3.49Å; D289-C294 WeakPolarHBondContact OD1-CB 3.38Å; S291-C294 PolarHBondContact OG-N 3.02Å
295F98.7Very high97Very high2 Ų237 Ų371%0.00922%0.223CC..SBendtrans-89.7-7.7176.5-69.2-89.1000113.5W76 P144 L285 F288 F312 N313 V319 F322W76-F295 HydrophobicContact CE3-CD1 4.41Å; W76-F295 AromaticContact CE3-CE1 3.9Å; W76-F295 HydrophobicContact CE3-CE1 3.9Å; W76-F295 HydrophobicContact CE3-CE2 4.28Å; W76-F295 AromaticContact CE3-CZ 3.83Å; W76-F295 HydrophobicContact CE3-CZ 3.83Å; W76-F295 HydrophobicContact CZ3-CD1 4.1Å; W76-F295 HydrophobicContact CZ3-CE1 4.06Å; W76-F295 HydrophobicContact CZ3-CG 4.37Å; W76-F295 HydrophobicContact CZ3-CZ 4.28Å; P144-F295 HydrophobicContact CB-CE2 4.38Å; P144-F295 HydrophobicContact CB-CZ 3.96Å; P144-F295 HydrophobicContact CG-CE2 3.92Å; P144-F295 HydrophobicContact CG-CZ 3.88Å; L285-F295 HydrophobicContact CD1-CD1 4.36Å; L285-F295 HydrophobicContact CD1-CD2 3.45Å; L285-F295 VanDerWaalsContact CD1-CD2 3.45Å; L285-F295 HydrophobicContact CD1-CE1 4.37Å; L285-F295 HydrophobicContact CD1-CE2 3.48Å; L285-F295 VanDerWaalsContact CD1-CE2 3.48Å; L285-F295 HydrophobicContact CD1-CG 3.93Å; L285-F295 HydrophobicContact CD1-CZ 3.96Å; L285-F295 HydrophobicContact CD2-CB 3.98Å; L285-F295 HydrophobicContact CD2-CD1 4.17Å; L285-F295 HydrophobicContact CD2-CD2 4.22Å; L285-F295 HydrophobicContact CD2-CG 3.86Å; L285-F295 HydrophobicContact CG-CB 4.19Å; L285-F295 HydrophobicContact CG-CD2 3.77Å; L285-F295 HydrophobicContact CG-CE2 4.32Å; L285-F295 HydrophobicContact CG-CG 3.93Å; F288-F295 HydrophobicContact CB-CE2 4.29Å; F288-F295 HydrophobicContact CD1-CE2 4.06Å; F288-F295 HydrophobicContact CG-CE2 4.38Å; F295-F312 HydrophobicContact CB-CD1 4.45Å; F295-F312 HydrophobicContact CB-CE1 4.45Å; F295-F312 WeakPolarHBondContact O-CA 3.32Å; F295-F312 WeakPolarHBondContact O-CD1 3.4Å; F295-N313 PolarHBondContact O-N 3Å; F295-N313 VanDerWaalsContact O-N 3.08Å; F295-V319 HydrophobicContact CB-CG2 4.34Å; F295-V319 HydrophobicContact CD1-CG2 4.18Å; F295-V319 WeakPolarHBondContact O-CG2 3.37Å; F295-F322 HydrophobicContact CD1-CD1 4.45Å; F295-F322 HydrophobicContact CD1-CG 4.34Å; F295-F322 HydrophobicContact CE1-CB 4.14Å; F295-F322 HydrophobicContact CE1-CD1 4.46Å; F295-F322 AromaticContact CE1-CD2 3.97Å; F295-F322 HydrophobicContact CE1-CD2 3.97Å; F295-F322 HydrophobicContact CE1-CE2 4.46Å; F295-F322 AromaticContact CE1-CG 3.95Å; F295-F322 HydrophobicContact CE1-CG 3.95Å
296F98.8Very high96.8Very high3 Ų342.4 Ų42.41%0.01325%0.252CS..BIsolated β-bridgetrans-126.4161.9-163.8-53.9-65.3000110.8A277 L285 S293 R310 L311 F312A277-F296 HydrophobicContact CB-CE1 3.58Å; A277-F296 HydrophobicContact CB-CZ 3.61Å; L285-F296 HydrophobicContact CB-CE2 4.38Å; L285-F296 HydrophobicContact CB-CZ 4Å; L285-F296 HydrophobicContact CD2-CE1 4.43Å; L285-F296 HydrophobicContact CD2-CE2 4.49Å; L285-F296 HydrophobicContact CD2-CZ 3.78Å; L285-F296 HydrophobicContact CG-CE2 4.1Å; L285-F296 HydrophobicContact CG-CZ 3.8Å; S293-F296 CarbonylContact C-O 3.55Å; S293-F296 VanDerWaalsContact C-O 3.23Å; S293-F296 WeakPolarHBondContact CA-O 3.2Å; F296-R310 VanDerWaalsContact CB-NH2 3.3Å; F296-R310 HydrophobicContact CD1-CB 3.64Å; F296-R310 HydrophobicContact CD2-CB 4.1Å; F296-R310 HydrophobicContact CD2-CG 4.36Å; F296-R310 HydrophobicContact CE1-CB 3.72Å; F296-R310 HydrophobicContact CE2-CB 4.18Å; F296-R310 HydrophobicContact CE2-CG 4.41Å; F296-R310 HydrophobicContact CG-CB 3.83Å; F296-R310 HydrophobicContact CZ-CB 3.98Å; F296-L311 VanDerWaalsContact CA-O 3.25Å; F296-L311 WeakPolarHBondContact CA-O 3.27Å; F296-L311 VanDerWaalsContact CB-O 3.29Å; F296-L311 WeakPolarHBondContact CB-O 3.36Å; F296-F312 HydrophobicContact CD1-CD1 4.09Å; F296-F312 HydrophobicContact CD1-CE1 4.44Å; F296-F312 HydrophobicContact CD1-CG 4.41Å; F296-F312 AromaticContact CE1-CD1 3.85Å; F296-F312 HydrophobicContact CE1-CD1 3.85Å; F296-F312 AromaticContact CE1-CE1 3.74Å; F296-F312 HydrophobicContact CE1-CE1 3.74Å; F296-F312 HydrophobicContact CE1-CG 4.34Å; F296-F312 HydrophobicContact CE1-CZ 4.15Å; F296-F312 HydrophobicContact CZ-CE1 4.41Å
297H98.5Very high96.6Very high20 Ų2045.9 Ų45.99%0.09326%0.263CS..PPolyproline II helixtrans-67154.6162.6-66.8-70.2000110R301 G302 R310 L311 F312 N313 E373H297-R301 HydrophobicContact CB-CB 4.05Å; H297-R301 HydrophobicContact CB-CG 3.99Å; H297-R301 PolarHBondContact CE1-NH1 2.74Å; H297-R301 VanDerWaalsContact NE2-CZ 3.32Å; H297-R301 PolarHBondContact NE2-NE 2.93Å; H297-R301 PolarHBondContact NE2-NH2 3.44Å; H297-G302 WeakPolarHBondContact O-CA 3.31Å; H297-R310 PolarHBondContact O-NH2 3.23Å; H297-L311 PolarHBondContact N-O 2.9Å; H297-L311 VanDerWaalsContact N-O 3.1Å; H297-F312 PolarHBondContact CD2-O 3.21Å; H297-F312 PolarHBondContact NE2-O 3.17Å; H297-N313 VanDerWaalsContact CE1-CG 3.44Å; H297-N313 PolarHBondContact CE1-OD1 2.91Å; H297-E373 IonicContact CE1-OE2 3.43Å; H297-E373 PolarHBondContact CE1-OE2 2.94Å; H297-E373 IonicContact NE2-OE2 3.39Å; H297-E373 PolarHBondContact NE2-OE2 3.03Å
298S97.1Very high96.5Very high52 Ų5249.8 Ų49.836%0.36428%0.281SS..PPolyproline II helixtrans-65.4148.9164.4-70.20000110.3D292 S293 R301 G302D292-S298 VanDerWaalsContact CG-OG 3.28Å; D292-S298 PolarHBondContact OD1-OG 2.85Å; D292-S298 VanDerWaalsContact OD1-OG 3.09Å; D292-S298 WeakPolarHBondContact OD2-CA 3.22Å; D292-S298 WeakPolarHBondContact OD2-CB 3.31Å; D292-S298 PolarHBondContact OD2-OG 2.91Å; S293-S298 WeakPolarHBondContact CB-OG 3.14Å; S298-R301 PolarHBondContact O-N 3.45Å; S298-G302 PolarHBondContact O-N 3.21Å
299P94.4Very high96.5Very high58 Ų5849.7 Ų49.738%0.37728%0.281SS..THydrogen-bonded Turntrans-56.3147.4169.4-22.734.5000111.6D292 E303D292-P299 WeakPolarHBondContact OD2-CD 3.36Å; P299-E303 HydrophobicContact CB-CG 4.07Å; P299-E303 HydrophobicContact CG-CG 3.96Å
300P95.8Very high96.5Very high119 Ų11950 Ų5077%0.77328%0.282SS*.THydrogen-bonded Turncis-82.1-19.24.631.9-35.3000114.4G302 E303P300-G302 PolarHBondContact O-N 3.42Å; P300-G302 VanDerWaalsContact O-N 3.17Å; P300-E303 PolarHBondContact O-N 2.93Å
301R97.1Very high96.6Very high99 Ų9948.8 Ų48.837%0.37427%0.267SS..THydrogen-bonded Turntrans-60.2-30.7-177.2-175.7176-179.6-162.1-8.1112.5H297 S298 E303 L311 D371 E373H297-R301 HydrophobicContact CB-CB 4.05Å; H297-R301 HydrophobicContact CB-CG 3.99Å; H297-R301 PolarHBondContact CE1-NH1 2.74Å; H297-R301 VanDerWaalsContact NE2-CZ 3.32Å; H297-R301 PolarHBondContact NE2-NE 2.93Å; H297-R301 PolarHBondContact NE2-NH2 3.44Å; S298-R301 PolarHBondContact O-N 3.45Å; R301-E303 VanDerWaalsContact C-N 3.3Å; R301-E303 PolarHBondContact O-N 3.33Å; R301-L311 WeakPolarHBondContact O-CD1 3.34Å; R301-D371 IonicContact NH2-OD1 3.17Å; R301-D371 IonicContact NH2-OD2 2.65Å; R301-D371 PolarHBondContact NH2-OD2 3.08Å; R301-E373 IonicContact CZ-OE2 2.76Å; R301-E373 IonicContact NH1-OE1 3.78Å; R301-E373 IonicContact NH1-OE2 3.22Å; R301-E373 PolarHBondContact NH1-OE2 3.49Å; R301-E373 IonicContact NH2-OE1 3.77Å; R301-E373 IonicContact NH2-OE2 2.81Å; R301-E373 PolarHBondContact NH2-OE2 3.48Å
302G97.3Very high96.7Very high0 Ų047.6 Ų47.60%026%0.258CS..THydrogen-bonded Turntrans-81.17.8-179.600000117H297 S298 P300 R310 L311H297-G302 WeakPolarHBondContact O-CA 3.31Å; S298-G302 PolarHBondContact O-N 3.21Å; P300-G302 PolarHBondContact O-N 3.42Å; P300-G302 VanDerWaalsContact O-N 3.17Å; G302-R310 CarbonylContact O-C 3.3Å; G302-R310 WeakPolarHBondContact O-CA 3.32Å; G302-R310 PolarHBondContact O-NE 2.92Å; G302-L311 PolarHBondContact O-N 2.94Å
303E96.7Very high96.9Very high70 Ų7046.3 Ų46.333%0.32725%0.252SS..EExtended strand (participates in β ladder)trans-127.7129-177-62.4-162141.800112.4K279 P299 P300 R301 S309K279-E303 IonicContact NZ-OE1 3.87Å; K279-E303 PolarHBondContact NZ-OE1 3.06Å; K279-E303 IonicContact NZ-OE2 3.17Å; P299-E303 HydrophobicContact CB-CG 4.07Å; P299-E303 HydrophobicContact CG-CG 3.96Å; P300-E303 PolarHBondContact O-N 2.93Å; R301-E303 VanDerWaalsContact C-N 3.3Å; R301-E303 PolarHBondContact O-N 3.33Å; E303-S309 WeakPolarHBondContact CA-O 3.43Å
304H97Very high97.1Very high1 Ų144.6 Ų44.61%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-93.6102.7171.8-163.4-84.3000109.3L306 W307 D308 S309 L311 S346 H352H304-L306 PolarHBondContact O-N 2.8Å; H304-W307 HydrophobicContact CB-CB 4.43Å; H304-W307 AromaticContact CD2-CE3 3.91Å; H304-W307 AromaticContact CE1-CD1 3.78Å; H304-W307 AromaticContact CE1-CD2 3.16Å; H304-W307 AromaticContact CE1-CE2 3.45Å; H304-W307 VanDerWaalsContact CE1-CE2 3.45Å; H304-W307 AromaticContact CE1-CE3 3.53Å; H304-W307 AromaticContact CE1-CG 3.41Å; H304-W307 VanDerWaalsContact CE1-CG 3.41Å; H304-W307 AromaticContact CE1-NE1 3.79Å; H304-W307 AromaticContact CG-CD2 4Å; H304-W307 AromaticContact CG-CE3 3.78Å; H304-W307 WeakPolarHBondContact ND1-CB 3.37Å; H304-W307 AromaticContact ND1-CD1 3.86Å; H304-W307 AromaticContact ND1-CD2 3.27Å; H304-W307 VanDerWaalsContact ND1-CD2 3.27Å; H304-W307 AromaticContact ND1-CE3 3.56Å; H304-W307 AromaticContact ND1-CG 3.17Å; H304-W307 PolarHBondContact ND1-N 2.97Å; H304-W307 AromaticContact NE2-CD2 3.83Å; H304-W307 AromaticContact NE2-CE3 3.76Å; H304-W307 AromaticContact NE2-CZ3 3.96Å; H304-W307 PolarHBondContact O-N 3.47Å; H304-D308 WeakPolarHBondContact O-CA 3.47Å; H304-D308 PolarHBondContact O-N 3.5Å; H304-S309 PolarHBondContact N-O 3.12Å; H304-S309 PolarHBondContact O-N 3.38Å; H304-L311 HydrophobicContact CB-CD1 4.19Å; H304-L311 HydrophobicContact CB-CD2 3.99Å; H304-L311 HydrophobicContact CB-CG 4.06Å; H304-S346 PolarHBondContact CD2-OG 3.23Å; H304-S346 VanDerWaalsContact CD2-OG 3.23Å; H304-S346 PolarHBondContact NE2-OG 3.14Å; H304-S346 VanDerWaalsContact NE2-OG 3.13Å; H304-H352 AromaticContact CD2-CD2 3.72Å; H304-H352 AromaticContact CD2-CG 3.6Å; H304-H352 WeakPolarHBondContact NE2-CB 3.39Å; H304-H352 AromaticContact NE2-CG 3.65Å
305T92.4Very high97Very high120 Ų12047 Ų4774%0.73626%0.259SS*.THydrogen-bonded Turntrans-63.1-40.6-169.952.40000113.6
306L94.1Very high97Very high120 Ų12048 Ų4863%0.62827%0.266SS*.THydrogen-bonded Turntrans-71-31.2-179-177.563.2000113H304 I354H304-L306 PolarHBondContact O-N 2.8Å; L306-I354 HydrophobicContact CB-CD1 3.87Å; L306-I354 HydrophobicContact CD2-CD1 4.48Å; L306-I354 HydrophobicContact CD2-CG1 4.26Å
307W95.1Very high97Very high90 Ų9051.1 Ų51.134%0.34128%0.278SS..THydrogen-bonded Turntrans-100.90.5-177.5-59-20.7000112.6Q237 H276 H304 S309Q237-W307 PolarHBondContact NE2-O 2.85Å; H276-W307 HydrophobicContact CB-CE3 4.5Å; H276-W307 AromaticContact CE1-CE3 3.68Å; H276-W307 AromaticContact CE1-CZ3 3.84Å; H276-W307 AromaticContact CG-CE3 3.9Å; H276-W307 AromaticContact ND1-CE3 3.52Å; H276-W307 AromaticContact ND1-CZ3 3.47Å; H276-W307 WeakPolarHBondContact ND1-CZ3 3.25Å; H304-W307 HydrophobicContact CB-CB 4.43Å; H304-W307 AromaticContact CD2-CE3 3.91Å; H304-W307 AromaticContact CE1-CD1 3.78Å; H304-W307 AromaticContact CE1-CD2 3.16Å; H304-W307 AromaticContact CE1-CE2 3.45Å; H304-W307 VanDerWaalsContact CE1-CE2 3.45Å; H304-W307 AromaticContact CE1-CE3 3.53Å; H304-W307 AromaticContact CE1-CG 3.41Å; H304-W307 VanDerWaalsContact CE1-CG 3.41Å; H304-W307 AromaticContact CE1-NE1 3.79Å; H304-W307 AromaticContact CG-CD2 4Å; H304-W307 AromaticContact CG-CE3 3.78Å; H304-W307 WeakPolarHBondContact ND1-CB 3.37Å; H304-W307 AromaticContact ND1-CD1 3.86Å; H304-W307 AromaticContact ND1-CD2 3.27Å; H304-W307 VanDerWaalsContact ND1-CD2 3.27Å; H304-W307 AromaticContact ND1-CE3 3.56Å; H304-W307 AromaticContact ND1-CG 3.17Å; H304-W307 PolarHBondContact ND1-N 2.97Å; H304-W307 AromaticContact NE2-CD2 3.83Å; H304-W307 AromaticContact NE2-CE3 3.76Å; H304-W307 AromaticContact NE2-CZ3 3.96Å; H304-W307 PolarHBondContact O-N 3.47Å; W307-S309 VanDerWaalsContact C-N 3.28Å; W307-S309 PolarHBondContact O-N 3.48Å; W307-S309 PolarHBondContact O-OG 3.32Å
308D96.3Very high97Very high103 Ų10350.8 Ų50.855%0.55128%0.276SS*.THydrogen-bonded Turntrans44.350.7-172.6-165.729.8000113.4K279 H304K279-D308 VanDerWaalsContact CD-O 3.29Å; K279-D308 WeakPolarHBondContact CD-O 3.49Å; K279-D308 WeakPolarHBondContact CD-OD1 3.36Å; K279-D308 VanDerWaalsContact CE-OD1 3.27Å; K279-D308 WeakPolarHBondContact CE-OD1 3.42Å; K279-D308 WeakPolarHBondContact CG-O 3.46Å; K279-D308 IonicContact NZ-OD1 3.38Å; K279-D308 PolarHBondContact NZ-OD1 2.91Å; H304-D308 WeakPolarHBondContact O-CA 3.47Å; H304-D308 PolarHBondContact O-N 3.5Å
309S98.1Very high97.1Very high0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-128.8168-167.8-64.90000113.4Q237 H276 A277 E303 H304 W307Q237-S309 PolarHBondContact NE2-OG 3.35Å; Q237-S309 PolarHBondContact OE1-OG 3.13Å; H276-S309 VanDerWaalsContact CD2-CB 3.45Å; H276-S309 WeakPolarHBondContact CD2-CB 3.39Å; H276-S309 PolarHBondContact CD2-OG 3.26Å; H276-S309 VanDerWaalsContact CD2-OG 3.26Å; A277-S309 WeakPolarHBondContact O-CB 3.41Å; E303-S309 WeakPolarHBondContact CA-O 3.43Å; H304-S309 PolarHBondContact N-O 3.12Å; H304-S309 PolarHBondContact O-N 3.38Å; W307-S309 VanDerWaalsContact C-N 3.28Å; W307-S309 PolarHBondContact O-N 3.48Å; W307-S309 PolarHBondContact O-OG 3.32Å
310R98.7Very high97.3Very high7 Ų745.9 Ų45.93%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-95.2143.2174.1-61.6-54.8-49.1-85.61.4111.8H276 A277 K279 N286 D292 F296 H297 G302H276-R310 CarbonylContact C-O 3.52Å; H276-R310 VanDerWaalsContact CA-O 3.25Å; H276-R310 WeakPolarHBondContact CA-O 3.34Å; H276-R310 WeakPolarHBondContact CB-O 3.29Å; A277-R310 PolarHBondContact N-O 2.84Å; A277-R310 PolarHBondContact O-N 3.38Å; K279-R310 HydrophobicContact CG-CG 4.05Å; N286-R310 HydrophobicContact CB-CG 4.16Å; N286-R310 PolarHBondContact OD1-NH1 2.93Å; D292-R310 VanDerWaalsContact O-CZ 3.32Å; D292-R310 PolarHBondContact O-NH1 3.32Å; D292-R310 PolarHBondContact O-NH2 2.99Å; F296-R310 VanDerWaalsContact CB-NH2 3.3Å; F296-R310 HydrophobicContact CD1-CB 3.64Å; F296-R310 HydrophobicContact CD2-CB 4.1Å; F296-R310 HydrophobicContact CD2-CG 4.36Å; F296-R310 HydrophobicContact CE1-CB 3.72Å; F296-R310 HydrophobicContact CE2-CB 4.18Å; F296-R310 HydrophobicContact CE2-CG 4.41Å; F296-R310 HydrophobicContact CG-CB 3.83Å; F296-R310 HydrophobicContact CZ-CB 3.98Å; H297-R310 PolarHBondContact O-NH2 3.23Å; G302-R310 CarbonylContact O-C 3.3Å; G302-R310 WeakPolarHBondContact O-CA 3.32Å; G302-R310 PolarHBondContact O-NE 2.92Å
311L98.8Very high97.5Very high11 Ų1140.7 Ų40.76%0.05821%0.208CC..  trans-111.1127.1-179.5-65.5174.9000111.7S275 H276 F296 H297 R301 G302 H304 H352S275-L311 WeakPolarHBondContact O-CD2 3.49Å; H276-L311 HydrophobicContact CB-CD2 4.1Å; F296-L311 VanDerWaalsContact CA-O 3.25Å; F296-L311 WeakPolarHBondContact CA-O 3.27Å; F296-L311 VanDerWaalsContact CB-O 3.29Å; F296-L311 WeakPolarHBondContact CB-O 3.36Å; H297-L311 PolarHBondContact N-O 2.9Å; H297-L311 VanDerWaalsContact N-O 3.1Å; R301-L311 WeakPolarHBondContact O-CD1 3.34Å; G302-L311 PolarHBondContact O-N 2.94Å; H304-L311 HydrophobicContact CB-CD1 4.19Å; H304-L311 HydrophobicContact CB-CD2 3.99Å; H304-L311 HydrophobicContact CB-CG 4.06Å; L311-H352 VanDerWaalsContact CD1-CE1 3.44Å; L311-H352 WeakPolarHBondContact CD1-CE1 3.44Å; L311-H352 WeakPolarHBondContact CD1-NE2 3.37Å
312F98.9Very high97.5Very high0 Ų036 Ų360%019%0.19CC..BIsolated β-bridgetrans-61.3147.4-176.8-73.1-75000112.5F241 H274 A277 L285 F295 F296 H297 Y314 V319 L323F241-F312 HydrophobicContact CE1-CE2 4.05Å; F241-F312 AromaticContact CE1-CZ 3.64Å; F241-F312 HydrophobicContact CE1-CZ 3.64Å; F241-F312 HydrophobicContact CE2-CZ 4.16Å; F241-F312 HydrophobicContact CZ-CE2 4.02Å; F241-F312 AromaticContact CZ-CZ 3.46Å; F241-F312 HydrophobicContact CZ-CZ 3.46Å; F241-F312 VanDerWaalsContact CZ-CZ 3.46Å; H274-F312 WeakPolarHBondContact O-CD2 3.14Å; A277-F312 HydrophobicContact CB-CE2 4.41Å; A277-F312 HydrophobicContact CB-CZ 4.14Å; L285-F312 HydrophobicContact CD2-CE1 3.83Å; L285-F312 HydrophobicContact CD2-CZ 4.26Å; F295-F312 HydrophobicContact CB-CD1 4.45Å; F295-F312 HydrophobicContact CB-CE1 4.45Å; F295-F312 WeakPolarHBondContact O-CA 3.32Å; F295-F312 WeakPolarHBondContact O-CD1 3.4Å; F296-F312 HydrophobicContact CD1-CD1 4.09Å; F296-F312 HydrophobicContact CD1-CE1 4.44Å; F296-F312 HydrophobicContact CD1-CG 4.41Å; F296-F312 AromaticContact CE1-CD1 3.85Å; F296-F312 HydrophobicContact CE1-CD1 3.85Å; F296-F312 AromaticContact CE1-CE1 3.74Å; F296-F312 HydrophobicContact CE1-CE1 3.74Å; F296-F312 HydrophobicContact CE1-CG 4.34Å; F296-F312 HydrophobicContact CE1-CZ 4.15Å; F296-F312 HydrophobicContact CZ-CE1 4.41Å; H297-F312 PolarHBondContact CD2-O 3.21Å; H297-F312 PolarHBondContact NE2-O 3.17Å; F312-Y314 HydrophobicContact CB-CD1 4.02Å; F312-Y314 HydrophobicContact CB-CD2 4.49Å; F312-Y314 HydrophobicContact CB-CE1 3.62Å; F312-Y314 HydrophobicContact CB-CE2 4.14Å; F312-Y314 HydrophobicContact CB-CG 4.43Å; F312-Y314 HydrophobicContact CD2-CE1 4.28Å; F312-Y314 HydrophobicContact CG-CE1 4.27Å; F312-Y314 PolarHBondContact O-N 3.34Å; F312-V319 HydrophobicContact CB-CG1 4.21Å; F312-V319 HydrophobicContact CD1-CG1 3.93Å; F312-V319 HydrophobicContact CG-CG1 4.44Å; F312-L323 HydrophobicContact CD1-CD1 4.42Å; F312-L323 HydrophobicContact CD1-CD2 4.49Å; F312-L323 HydrophobicContact CE1-CD2 4.07Å; F312-L323 HydrophobicContact CE2-CD2 4.24Å; F312-L323 HydrophobicContact CG-CD1 4.29Å; F312-L323 HydrophobicContact CZ-CD2 3.93Å
313N98.7Very high97.6Very high40 Ų4036 Ų3621%0.21419%0.19CC..  trans-90.687.1165.4-179.5-1.7000109.4F295 H297 A315 S316 V319F295-N313 PolarHBondContact O-N 3Å; F295-N313 VanDerWaalsContact O-N 3.08Å; H297-N313 VanDerWaalsContact CE1-CG 3.44Å; H297-N313 PolarHBondContact CE1-OD1 2.91Å; N313-A315 PolarHBondContact O-N 3.1Å; N313-A315 PolarHBondContact OD1-N 2.92Å; N313-S316 VanDerWaalsContact O-CB 3.32Å; N313-S316 WeakPolarHBondContact O-CB 3.07Å; N313-S316 PolarHBondContact O-N 2.88Å; N313-V319 WeakPolarHBondContact O-CB 3.05Å; N313-V319 WeakPolarHBondContact O-CG1 3.27Å
314Y98.6Very high97.7Very high12 Ų1232.8 Ų32.85%0.04718%0.175CC..THydrogen-bonded Turntrans-65-17.5-175.2-56.3-75.6000113.7H274 S275 F312 S316 L320 L323 M347 Y377H274-Y314 PolarHBondContact O-OH 2.92Å; S275-Y314 PolarHBondContact O-OH 3.39Å; F312-Y314 HydrophobicContact CB-CD1 4.02Å; F312-Y314 HydrophobicContact CB-CD2 4.49Å; F312-Y314 HydrophobicContact CB-CE1 3.62Å; F312-Y314 HydrophobicContact CB-CE2 4.14Å; F312-Y314 HydrophobicContact CB-CG 4.43Å; F312-Y314 HydrophobicContact CD2-CE1 4.28Å; F312-Y314 HydrophobicContact CG-CE1 4.27Å; F312-Y314 PolarHBondContact O-N 3.34Å; Y314-S316 VanDerWaalsContact C-N 3.32Å; Y314-L320 VanDerWaalsContact O-CD2 3.29Å; Y314-L320 WeakPolarHBondContact O-CD2 3.44Å; Y314-L320 WeakPolarHBondContact O-CG 3.41Å; Y314-L323 HydrophobicContact CD1-CD1 3.93Å; Y314-L323 HydrophobicContact CE1-CD1 3.91Å; Y314-M347 HydrophobicContact CE1-CE 3.8Å; Y314-Y377 AromaticContact CD1-CD1 3.83Å; Y314-Y377 HydrophobicContact CD1-CD1 3.83Å; Y314-Y377 AromaticContact CD1-CG 3.92Å; Y314-Y377 HydrophobicContact CD1-CG 3.92Å; Y314-Y377 HydrophobicContact CE1-CD1 4.05Å; Y314-Y377 HydrophobicContact CE1-CE1 4.4Å
315A97.1Very high97.8Very high60 Ų6032.8 Ų32.850%0.49618%0.175SC..THydrogen-bonded Turntrans-77.7-15.2173.300000113.5N313 E373N313-A315 PolarHBondContact O-N 3.1Å; N313-A315 PolarHBondContact OD1-N 2.92Å; A315-E373 HydrophobicContact CB-CB 4.35Å; A315-E373 HydrophobicContact CB-CG 3.96Å
316S98.4Very high98.1Very high24 Ų2427 Ų2717%0.16814%0.14CC..  trans-73.9128.8179.7174.90000111.5N313 Y314 E318 V319 L320N313-S316 VanDerWaalsContact O-CB 3.32Å; N313-S316 WeakPolarHBondContact O-CB 3.07Å; N313-S316 PolarHBondContact O-N 2.88Å; Y314-S316 VanDerWaalsContact C-N 3.32Å; S316-E318 VanDerWaalsContact C-N 3.34Å; S316-E318 PolarHBondContact O-N 3.42Å; S316-V319 WeakPolarHBondContact O-CB 3.44Å; S316-V319 PolarHBondContact O-N 3.47Å; S316-V319 VanDerWaalsContact O-N 3.1Å; S316-L320 PolarHBondContact O-N 3.13Å
317W98.4Very high98.4Very high68 Ų6821.5 Ų21.526%0.25811%0.111SC..Hα-helixtrans-57.1-43.4-178.4-167.8-101000113.5L43 L44 A47 E48 F54 V319 L320 R321L43-W317 HydrophobicContact CB-CH2 3.9Å; L43-W317 HydrophobicContact CB-CZ3 4.01Å; L44-W317 HydrophobicContact CD2-CH2 3.56Å; L44-W317 HydrophobicContact CD2-CZ2 3.63Å; L44-W317 HydrophobicContact CD2-CZ3 4.25Å; L44-W317 HydrophobicContact CG-CH2 4.06Å; A47-W317 HydrophobicContact CB-CH2 4.48Å; A47-W317 HydrophobicContact CB-CZ2 4.17Å; E48-W317 HydrophobicContact CG-CZ2 3.53Å; E48-W317 PolarHBondContact OE1-NE1 3Å; F54-W317 AromaticContact CE2-CE2 3.92Å; F54-W317 HydrophobicContact CE2-CZ2 4.26Å; F54-W317 AromaticContact CE2-NE1 3.64Å; W317-V319 VanDerWaalsContact C-N 3.35Å; W317-L320 PolarHBondContact O-N 3.08Å; W317-R321 PolarHBondContact O-N 3.2Å
318E98.7Very high98.5Very high12 Ų1217.9 Ų17.96%0.05610%0.097CC..Hα-helixtrans-78.6-21.5-179.1-62.6-64.5142.700112F61 W76 K106 S316 R321 F322F61-E318 WeakPolarHBondContact CZ-OE2 3.49Å; W76-E318 HydrophobicContact CD2-CB 3.47Å; W76-E318 VanDerWaalsContact CD2-CB 3.47Å; W76-E318 HydrophobicContact CD2-CG 3.81Å; W76-E318 HydrophobicContact CE3-CB 3.55Å; W76-E318 HydrophobicContact CE3-CG 4.41Å; W76-E318 HydrophobicContact CG-CB 4.08Å; W76-E318 HydrophobicContact CG-CG 4.01Å; W76-E318 HydrophobicContact CH2-CB 3.88Å; W76-E318 HydrophobicContact CZ2-CB 3.8Å; W76-E318 HydrophobicContact CZ2-CG 4.09Å; W76-E318 HydrophobicContact CZ3-CB 3.76Å; K106-E318 VanDerWaalsContact CE-CD 3.47Å; K106-E318 WeakPolarHBondContact CE-OE1 3.4Å; K106-E318 IonicContact NZ-OE1 2.74Å; K106-E318 PolarHBondContact NZ-OE1 3.36Å; S316-E318 VanDerWaalsContact C-N 3.34Å; S316-E318 PolarHBondContact O-N 3.42Å; E318-R321 IonicContact OE1-CZ 2.69Å; E318-R321 IonicContact OE1-NE 2.81Å; E318-R321 PolarHBondContact OE1-NE 3.1Å; E318-R321 IonicContact OE1-NH2 3.61Å; E318-R321 PolarHBondContact OE1-NH2 3.3Å; E318-R321 VanDerWaalsContact OE2-CD 3.31Å; E318-R321 WeakPolarHBondContact OE2-CD 3.38Å; E318-R321 IonicContact OE2-CZ 3.07Å; E318-R321 IonicContact OE2-NE 3.11Å; E318-R321 PolarHBondContact OE2-NE 3.4Å; E318-F322 VanDerWaalsContact O-CB 3.26Å; E318-F322 WeakPolarHBondContact O-CB 3.47Å; E318-F322 PolarHBondContact O-N 2.9Å
319V98.9Very high98.7Very high0 Ų013.1 Ų13.10%07%0.071CC..Hα-helixtrans-71.7-44.3168.6176.60000110.4W76 F295 F312 N313 S316 W317 R321 F322 L323W76-V319 HydrophobicContact CZ3-CG2 4.4Å; F295-V319 HydrophobicContact CB-CG2 4.34Å; F295-V319 HydrophobicContact CD1-CG2 4.18Å; F295-V319 WeakPolarHBondContact O-CG2 3.37Å; F312-V319 HydrophobicContact CB-CG1 4.21Å; F312-V319 HydrophobicContact CD1-CG1 3.93Å; F312-V319 HydrophobicContact CG-CG1 4.44Å; N313-V319 WeakPolarHBondContact O-CB 3.05Å; N313-V319 WeakPolarHBondContact O-CG1 3.27Å; S316-V319 WeakPolarHBondContact O-CB 3.44Å; S316-V319 PolarHBondContact O-N 3.47Å; S316-V319 VanDerWaalsContact O-N 3.1Å; W317-V319 VanDerWaalsContact C-N 3.35Å; V319-R321 VanDerWaalsContact C-N 3.29Å; V319-R321 PolarHBondContact O-N 2.89Å; V319-F322 WeakPolarHBondContact O-CB 3.5Å; V319-F322 PolarHBondContact O-N 3.23Å; V319-L323 HydrophobicContact CG1-CD1 3.86Å; V319-L323 HydrophobicContact CG1-CG 4.27Å; V319-L323 WeakPolarHBondContact O-CG 3.44Å; V319-L323 PolarHBondContact O-N 3.24Å
320L98.8Very high98.7Very high7 Ų713.1 Ų13.14%0.0377%0.071CC..Hα-helixtrans-57.2-45.2171-71.1176.8000110.9Q40 F54 Y314 S316 W317 F322 L324 Y377Q40-L320 HydrophobicContact CG-CD1 4.4Å; F54-L320 HydrophobicContact CE1-CB 4.34Å; F54-L320 HydrophobicContact CZ-CB 4.31Å; Y314-L320 VanDerWaalsContact O-CD2 3.29Å; Y314-L320 WeakPolarHBondContact O-CD2 3.44Å; Y314-L320 WeakPolarHBondContact O-CG 3.41Å; S316-L320 PolarHBondContact O-N 3.13Å; W317-L320 PolarHBondContact O-N 3.08Å; L320-F322 VanDerWaalsContact C-N 3.34Å; L320-F322 PolarHBondContact O-N 3.41Å; L320-L324 HydrophobicContact CB-CD1 4.48Å; L320-L324 WeakPolarHBondContact O-CB 3.2Å; L320-L324 VanDerWaalsContact O-CG 3.28Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 2.71Å; L320-Y377 HydrophobicContact CD2-CD2 3.87Å; L320-Y377 HydrophobicContact CD2-CG 4.43Å
321R98.8Very high98.7Very high11 Ų1113 Ų134%0.0427%0.071CC..Hα-helixtrans-57.1-48.7175.9-170.1-169.1-61.1-73-3.9111.3E48 F54 S57 F61 W317 E318 V319 S325E48-R321 VanDerWaalsContact CD-NH2 3.27Å; E48-R321 IonicContact OE1-CZ 2.95Å; E48-R321 IonicContact OE1-NH1 3.05Å; E48-R321 IonicContact OE1-NH2 3.85Å; E48-R321 PolarHBondContact OE1-NH2 3.17Å; E48-R321 IonicContact OE2-CZ 3.93Å; E48-R321 IonicContact OE2-NH1 3.28Å; E48-R321 PolarHBondContact OE2-NH1 3.19Å; E48-R321 IonicContact OE2-NH2 2.77Å; E48-R321 PolarHBondContact OE2-NH2 3Å; F54-R321 HydrophobicContact CD2-CG 4.41Å; F54-R321 VanDerWaalsContact CE1-CA 3.44Å; F54-R321 HydrophobicContact CE1-CB 4.07Å; F54-R321 HydrophobicContact CE2-CB 3.78Å; F54-R321 HydrophobicContact CE2-CG 3.96Å; F54-R321 HydrophobicContact CZ-CB 3.45Å; F54-R321 VanDerWaalsContact CZ-CB 3.45Å; F54-R321 HydrophobicContact CZ-CG 4.04Å; F54-R321 VanDerWaalsContact CZ-N 3.35Å; S57-R321 VanDerWaalsContact CB-CD 3.5Å; S57-R321 VanDerWaalsContact CB-CG 3.47Å; S57-R321 VanDerWaalsContact OG-CD 3.22Å; S57-R321 WeakPolarHBondContact OG-CD 3.19Å; S57-R321 WeakPolarHBondContact OG-CG 3.25Å; S57-R321 PolarHBondContact OG-NH1 3.1Å; F61-R321 VanDerWaalsContact CE2-CD 3.44Å; W317-R321 PolarHBondContact O-N 3.2Å; E318-R321 IonicContact OE1-CZ 2.69Å; E318-R321 IonicContact OE1-NE 2.81Å; E318-R321 PolarHBondContact OE1-NE 3.1Å; E318-R321 IonicContact OE1-NH2 3.61Å; E318-R321 PolarHBondContact OE1-NH2 3.3Å; E318-R321 VanDerWaalsContact OE2-CD 3.31Å; E318-R321 WeakPolarHBondContact OE2-CD 3.38Å; E318-R321 IonicContact OE2-CZ 3.07Å; E318-R321 IonicContact OE2-NE 3.11Å; E318-R321 PolarHBondContact OE2-NE 3.4Å; V319-R321 VanDerWaalsContact C-N 3.29Å; V319-R321 PolarHBondContact O-N 2.89Å; R321-S325 WeakPolarHBondContact O-CB 3.39Å; R321-S325 PolarHBondContact O-N 2.91Å; R321-S325 PolarHBondContact O-OG 3.48Å
322F98.9Very high98.7Very high0 Ų015.2 Ų15.20%08%0.081CC..Hα-helixtrans-59.9-55.7-179.3-179.1-100.6000111.7P144 W145 F241 F242 L285 F295 E318 V319 L320 S325 N326P144-F322 HydrophobicContact CB-CD2 4.43Å; P144-F322 HydrophobicContact CB-CE2 3.69Å; P144-F322 HydrophobicContact CB-CZ 4.38Å; P144-F322 VanDerWaalsContact O-CE2 3.32Å; P144-F322 WeakPolarHBondContact O-CE2 3.41Å; W145-F322 HydrophobicContact CD2-CD2 4.3Å; W145-F322 AromaticContact CE2-CD2 3.87Å; W145-F322 HydrophobicContact CH2-CB 4.43Å; W145-F322 HydrophobicContact CH2-CD2 4.19Å; W145-F322 HydrophobicContact CZ2-CB 4.31Å; W145-F322 AromaticContact CZ2-CD2 3.82Å; W145-F322 HydrophobicContact CZ2-CD2 3.82Å; F241-F322 HydrophobicContact CB-CE1 3.88Å; F241-F322 HydrophobicContact CB-CZ 3.63Å; F241-F322 HydrophobicContact CD1-CE1 4.05Å; F241-F322 AromaticContact CD2-CE1 3.95Å; F241-F322 HydrophobicContact CD2-CE1 3.95Å; F241-F322 AromaticContact CD2-CZ 3.89Å; F241-F322 HydrophobicContact CD2-CZ 3.89Å; F241-F322 AromaticContact CG-CE1 3.67Å; F241-F322 HydrophobicContact CG-CE1 3.67Å; F241-F322 AromaticContact CG-CZ 3.77Å; F241-F322 HydrophobicContact CG-CZ 3.77Å; F242-F322 AromaticContact CD2-CE2 3.95Å; F242-F322 HydrophobicContact CD2-CE2 3.95Å; F242-F322 HydrophobicContact CD2-CZ 4.24Å; F242-F322 AromaticContact CE2-CD2 3.73Å; F242-F322 HydrophobicContact CE2-CD2 3.73Å; F242-F322 AromaticContact CE2-CE2 3.46Å; F242-F322 HydrophobicContact CE2-CE2 3.46Å; F242-F322 VanDerWaalsContact CE2-CE2 3.46Å; F242-F322 HydrophobicContact CE2-CG 4.39Å; F242-F322 AromaticContact CE2-CZ 3.9Å; F242-F322 HydrophobicContact CE2-CZ 3.9Å; F242-F322 WeakPolarHBondContact CZ-O 3.49Å; L285-F322 HydrophobicContact CD2-CE1 3.92Å; L285-F322 HydrophobicContact CD2-CZ 4.05Å; F295-F322 HydrophobicContact CD1-CD1 4.45Å; F295-F322 HydrophobicContact CD1-CG 4.34Å; F295-F322 HydrophobicContact CE1-CB 4.14Å; F295-F322 HydrophobicContact CE1-CD1 4.46Å; F295-F322 AromaticContact CE1-CD2 3.97Å; F295-F322 HydrophobicContact CE1-CD2 3.97Å; F295-F322 HydrophobicContact CE1-CE2 4.46Å; F295-F322 AromaticContact CE1-CG 3.95Å; F295-F322 HydrophobicContact CE1-CG 3.95Å; E318-F322 VanDerWaalsContact O-CB 3.26Å; E318-F322 WeakPolarHBondContact O-CB 3.47Å; E318-F322 PolarHBondContact O-N 2.9Å; V319-F322 WeakPolarHBondContact O-CB 3.5Å; V319-F322 PolarHBondContact O-N 3.23Å; L320-F322 VanDerWaalsContact C-N 3.34Å; L320-F322 PolarHBondContact O-N 3.41Å; F322-S325 PolarHBondContact O-N 3.1Å; F322-N326 WeakPolarHBondContact O-CB 3.05Å; F322-N326 PolarHBondContact O-N 2.97Å
323L98.9Very high98.6Very high0 Ų018.1 Ų18.10%010%0.095CC..Hα-helixtrans-69.5-43.1-175.1-61.7176.9000112.4H274 F312 Y314 V319 S325 N326 L327 Y377H274-L323 HydrophobicContact CB-CD2 4.33Å; H274-L323 PolarHBondContact CE1-O 2.83Å; F312-L323 HydrophobicContact CD1-CD1 4.42Å; F312-L323 HydrophobicContact CD1-CD2 4.49Å; F312-L323 HydrophobicContact CE1-CD2 4.07Å; F312-L323 HydrophobicContact CE2-CD2 4.24Å; F312-L323 HydrophobicContact CG-CD1 4.29Å; F312-L323 HydrophobicContact CZ-CD2 3.93Å; Y314-L323 HydrophobicContact CD1-CD1 3.93Å; Y314-L323 HydrophobicContact CE1-CD1 3.91Å; V319-L323 HydrophobicContact CG1-CD1 3.86Å; V319-L323 HydrophobicContact CG1-CG 4.27Å; V319-L323 WeakPolarHBondContact O-CG 3.44Å; V319-L323 PolarHBondContact O-N 3.24Å; L323-S325 VanDerWaalsContact C-N 3.35Å; L323-S325 PolarHBondContact O-N 3.48Å; L323-N326 VanDerWaalsContact O-CB 3.31Å; L323-N326 WeakPolarHBondContact O-CB 3.42Å; L323-N326 PolarHBondContact O-N 3.27Å; L323-N326 VanDerWaalsContact O-N 3.14Å; L323-L327 PolarHBondContact O-N 3.02Å; L323-L327 VanDerWaalsContact O-N 3.1Å; L323-Y377 HydrophobicContact CB-CD2 4.49Å; L323-Y377 HydrophobicContact CB-CE2 3.59Å; L323-Y377 HydrophobicContact CD1-CD2 4.41Å; L323-Y377 HydrophobicContact CD1-CE2 4.01Å; L323-Y377 HydrophobicContact CG-CE2 4.47Å
324L98.9Very high98.7Very high3 Ų316.2 Ų16.22%0.0169%0.085CC..Hα-helixtrans-69-35177.8-66.8172.6000112F54 T55 L320 N326 L327 R328 Y377 L380 S381 I384F54-L324 HydrophobicContact CD1-CD1 4.28Å; F54-L324 HydrophobicContact CE1-CD1 3.95Å; T55-L324 HydrophobicContact CG2-CB 3.88Å; L320-L324 HydrophobicContact CB-CD1 4.48Å; L320-L324 WeakPolarHBondContact O-CB 3.2Å; L320-L324 VanDerWaalsContact O-CG 3.28Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 2.71Å; L324-N326 VanDerWaalsContact C-N 3.28Å; L324-L327 HydrophobicContact CD2-CD1 4.3Å; L324-L327 PolarHBondContact O-N 3.49Å; L324-R328 PolarHBondContact O-N 3.44Å; L324-Y377 HydrophobicContact CD2-CD2 4.48Å; L324-Y377 HydrophobicContact CD2-CE2 4.1Å; L324-Y377 HydrophobicContact CG-CE2 4.33Å; L324-L380 HydrophobicContact CD1-CD2 3.65Å; L324-L380 HydrophobicContact CD1-CG 4Å; L324-S381 WeakPolarHBondContact CD2-OG 3.45Å; L324-I384 HydrophobicContact CD1-CD1 3.98Å; L324-I384 HydrophobicContact CD2-CD1 4.19Å
325S98.9Very high98.7Very high0 Ų016.7 Ų16.70%09%0.09CC..Hα-helixtrans-69.4-28.6171.6-59.80000112.4F54 T55 S57 R321 F322 L323 R328 W329F54-S325 PolarHBondContact O-OG 2.78Å; T55-S325 VanDerWaalsContact O-CA 3.26Å; T55-S325 WeakPolarHBondContact O-CA 3.47Å; T55-S325 WeakPolarHBondContact O-CB 3.14Å; T55-S325 PolarHBondContact O-OG 3.46Å; S57-S325 WeakPolarHBondContact CB-OG 3.15Å; S57-S325 PolarHBondContact N-OG 3.36Å; R321-S325 WeakPolarHBondContact O-CB 3.39Å; R321-S325 PolarHBondContact O-N 2.91Å; R321-S325 PolarHBondContact O-OG 3.48Å; F322-S325 PolarHBondContact O-N 3.1Å; L323-S325 VanDerWaalsContact C-N 3.35Å; L323-S325 PolarHBondContact O-N 3.48Å; S325-R328 PolarHBondContact O-N 2.93Å; S325-W329 VanDerWaalsContact O-CB 3.24Å; S325-W329 WeakPolarHBondContact O-CB 3.45Å; S325-W329 PolarHBondContact O-N 2.93Å
326N98.9Very high98.7Very high0 Ų013.9 Ų13.90%07%0.066CC..Hα-helixtrans-66.1-45.5174.7-170.1-99.6000111.5F241 F242 H274 F322 L323 L324 R328 W329 W330F241-N326 PolarHBondContact O-ND2 3.37Å; F242-N326 HydrophobicContact CE1-CB 4.14Å; F242-N326 HydrophobicContact CE2-CB 3.98Å; F242-N326 VanDerWaalsContact CZ-CA 3.49Å; F242-N326 HydrophobicContact CZ-CB 3.64Å; H274-N326 PolarHBondContact NE2-OD1 3.47Å; H274-N326 VanDerWaalsContact NE2-OD1 3.08Å; F322-N326 WeakPolarHBondContact O-CB 3.05Å; F322-N326 PolarHBondContact O-N 2.97Å; L323-N326 VanDerWaalsContact O-CB 3.31Å; L323-N326 WeakPolarHBondContact O-CB 3.42Å; L323-N326 PolarHBondContact O-N 3.27Å; L323-N326 VanDerWaalsContact O-N 3.14Å; L324-N326 VanDerWaalsContact C-N 3.28Å; N326-R328 VanDerWaalsContact C-N 3.3Å; N326-R328 PolarHBondContact O-N 3.21Å; N326-W329 WeakPolarHBondContact O-CB 3.34Å; N326-W329 PolarHBondContact O-N 2.85Å; N326-W330 PolarHBondContact ND2-NE1 2.72Å; N326-W330 PolarHBondContact O-N 3.36Å; N326-W330 VanDerWaalsContact O-N 3.08Å; N326-W330 VanDerWaalsContact OD1-CD1 3.23Å; N326-W330 PolarHBondContact OD1-NE1 3.39Å
327L98.9Very high98.8Very high4 Ų413.2 Ų13.22%0.0216%0.06CC..Hα-helixtrans-57.2-45.4172.9-64174.7000111.2V272 L323 L324 W329 W330 M331 F339 F341 L385V272-L327 HydrophobicContact CG1-CD2 3.94Å; V272-L327 HydrophobicContact CG2-CD2 4.07Å; L323-L327 PolarHBondContact O-N 3.02Å; L323-L327 VanDerWaalsContact O-N 3.1Å; L324-L327 HydrophobicContact CD2-CD1 4.3Å; L324-L327 PolarHBondContact O-N 3.49Å; L327-W329 VanDerWaalsContact C-N 3.35Å; L327-W329 PolarHBondContact O-N 2.91Å; L327-W330 PolarHBondContact O-N 2.84Å; L327-M331 WeakPolarHBondContact O-CG 3.33Å; L327-M331 PolarHBondContact O-N 2.85Å; L327-M331 VanDerWaalsContact O-N 3.13Å; L327-F339 HydrophobicContact CB-CE2 4.46Å; L327-F339 HydrophobicContact CD2-CD2 4.15Å; L327-F339 HydrophobicContact CD2-CE2 4.14Å; L327-F339 HydrophobicContact CD2-CG 4.41Å; L327-F339 HydrophobicContact CD2-CZ 4.38Å; L327-F339 WeakPolarHBondContact O-CZ 3.3Å; L327-F341 HydrophobicContact CD1-CE1 4.29Å; L327-F341 HydrophobicContact CD1-CZ 3.89Å; L327-F341 HydrophobicContact CD2-CE1 4.11Å; L327-F341 HydrophobicContact CD2-CE2 4.38Å; L327-F341 HydrophobicContact CD2-CZ 3.61Å; L327-F341 HydrophobicContact CG-CZ 4.41Å; L327-L385 HydrophobicContact CB-CD2 4.33Å; L327-L385 HydrophobicContact CD1-CD1 4.19Å
328R98.7Very high98.8Very high13 Ų1310 Ų105%0.0495%0.048CC..Hα-helixtrans-65.1-38178.1-169.968.8-178.4-102.613.1112.8D52 T55 R56 Y58 L324 S325 N326 M331 E332 Y389D52-R328 IonicContact OD1-CZ 2.76Å; D52-R328 VanDerWaalsContact OD1-CZ 3.29Å; D52-R328 IonicContact OD1-NH1 3.92Å; D52-R328 PolarHBondContact OD1-NH1 3.03Å; D52-R328 IonicContact OD1-NH2 3.47Å; D52-R328 PolarHBondContact OD1-NH2 3.13Å; T55-R328 WeakPolarHBondContact O-CB 3.45Å; T55-R328 WeakPolarHBondContact O-CG 3.35Å; T55-R328 PolarHBondContact OG1-NH1 3.48Å; R56-R328 HydrophobicContact CG-CG 4.39Å; Y58-R328 HydrophobicContact CE1-CB 4.26Å; Y58-R328 HydrophobicContact CE1-CG 3.95Å; L324-R328 PolarHBondContact O-N 3.44Å; S325-R328 PolarHBondContact O-N 2.93Å; N326-R328 VanDerWaalsContact C-N 3.3Å; N326-R328 PolarHBondContact O-N 3.21Å; R328-M331 PolarHBondContact O-N 3.3Å; R328-E332 HydrophobicContact CG-CG 4.27Å; R328-E332 IonicContact CZ-OE1 3.6Å; R328-E332 IonicContact NE-OE1 3.34Å; R328-E332 PolarHBondContact NE-OE1 2.73Å; R328-E332 IonicContact NE-OE2 2.84Å; R328-E332 IonicContact NH2-OE1 3.73Å; R328-E332 PolarHBondContact NH2-OE1 3.5Å; R328-E332 WeakPolarHBondContact O-CB 3.36Å; R328-E332 PolarHBondContact O-N 3.44Å; R328-Y389 VanDerWaalsContact CD-OH 3.24Å; R328-Y389 WeakPolarHBondContact CD-OH 3.35Å; R328-Y389 PolarHBondContact NE-OH 3.08Å
329W98.9Very high98.8Very high4 Ų49.4 Ų9.42%0.0155%0.046CC..Hα-helixtrans-59-49.6176.6168.1-108.4000111.3Y58 K147 F242 S325 N326 L327 M331 E332 E333 Y334Y58-W329 HydrophobicContact CD1-CB 4.1Å; Y58-W329 AromaticContact CD2-CE3 3.47Å; Y58-W329 HydrophobicContact CD2-CE3 3.47Å; Y58-W329 VanDerWaalsContact CD2-CE3 3.47Å; Y58-W329 AromaticContact CD2-CZ3 3.89Å; Y58-W329 HydrophobicContact CD2-CZ3 3.89Å; Y58-W329 AromaticContact CE2-CE3 3.8Å; Y58-W329 HydrophobicContact CE2-CE3 3.8Å; Y58-W329 HydrophobicContact CE2-CZ3 4.17Å; Y58-W329 HydrophobicContact CG-CB 4.38Å; Y58-W329 AromaticContact CG-CE3 3.91Å; Y58-W329 HydrophobicContact CG-CE3 3.91Å; K147-W329 HydrophobicContact CB-CZ2 4.28Å; K147-W329 HydrophobicContact CD-CH2 3.79Å; K147-W329 HydrophobicContact CD-CZ2 4.33Å; K147-W329 HydrophobicContact CG-CH2 3.88Å; K147-W329 HydrophobicContact CG-CZ2 3.94Å; F242-W329 HydrophobicContact CD1-CB 3.75Å; F242-W329 AromaticContact CD1-CD1 3.54Å; F242-W329 AromaticContact CD1-CD2 3.96Å; F242-W329 HydrophobicContact CD1-CD2 3.96Å; F242-W329 AromaticContact CD1-CG 3.47Å; F242-W329 HydrophobicContact CD1-CG 3.47Å; F242-W329 VanDerWaalsContact CD1-CG 3.47Å; F242-W329 AromaticContact CD1-NE1 3.96Å; F242-W329 HydrophobicContact CE1-CB 3.68Å; F242-W329 AromaticContact CE1-CG 3.96Å; F242-W329 HydrophobicContact CE1-CG 3.96Å; F242-W329 PolarHBondContact O-NE1 3.4Å; S325-W329 VanDerWaalsContact O-CB 3.24Å; S325-W329 WeakPolarHBondContact O-CB 3.45Å; S325-W329 PolarHBondContact O-N 2.93Å; N326-W329 WeakPolarHBondContact O-CB 3.34Å; N326-W329 PolarHBondContact O-N 2.85Å; L327-W329 VanDerWaalsContact C-N 3.35Å; L327-W329 PolarHBondContact O-N 2.91Å; W329-M331 VanDerWaalsContact C-N 3.34Å; W329-M331 PolarHBondContact O-N 3.17Å; W329-E332 PolarHBondContact O-N 2.98Å; W329-E333 HydrophobicContact CD2-CB 3.93Å; W329-E333 HydrophobicContact CD2-CG 4.38Å; W329-E333 HydrophobicContact CE3-CB 3.75Å; W329-E333 HydrophobicContact CE3-CG 4.18Å; W329-E333 HydrophobicContact CH2-CB 3.98Å; W329-E333 HydrophobicContact CH2-CG 3.44Å; W329-E333 VanDerWaalsContact CH2-CG 3.44Å; W329-E333 HydrophobicContact CZ2-CB 4.18Å; W329-E333 HydrophobicContact CZ2-CG 3.69Å; W329-E333 HydrophobicContact CZ3-CB 3.76Å; W329-E333 HydrophobicContact CZ3-CG 3.71Å; W329-E333 VanDerWaalsContact O-CB 3.22Å; W329-E333 WeakPolarHBondContact O-CB 3.32Å; W329-E333 PolarHBondContact O-N 2.78Å; W329-Y334 AromaticContact CE2-CE2 3.86Å; W329-Y334 HydrophobicContact CZ2-CE2 4.01Å; W329-Y334 AromaticContact NE1-CE2 3.61Å
330W98.9Very high98.8Very high0 Ų09.7 Ų9.70%05%0.047CC..Hα-helixtrans-66.5-33.7178.3-66118.3000113.2I225 M226 F241 A244 L254 L270 N326 L327 Y334 C335 F336 F339I225-W330 HydrophobicContact CG2-CH2 3.98Å; I225-W330 HydrophobicContact CG2-CZ3 3.89Å; M226-W330 HydrophobicContact CG-CZ2 3.69Å; F241-W330 WeakPolarHBondContact O-CZ2 3.3Å; F241-W330 PolarHBondContact O-NE1 3.13Å; A244-W330 HydrophobicContact CB-CH2 4.21Å; A244-W330 HydrophobicContact CB-CZ3 4.38Å; L254-W330 HydrophobicContact CD2-CZ3 4.24Å; L270-W330 HydrophobicContact CD2-CB 3.66Å; L270-W330 HydrophobicContact CD2-CD2 3.42Å; L270-W330 VanDerWaalsContact CD2-CD2 3.42Å; L270-W330 HydrophobicContact CD2-CE3 3.96Å; L270-W330 HydrophobicContact CD2-CG 3.26Å; N326-W330 PolarHBondContact ND2-NE1 2.72Å; N326-W330 PolarHBondContact O-N 3.36Å; N326-W330 VanDerWaalsContact O-N 3.08Å; N326-W330 VanDerWaalsContact OD1-CD1 3.23Å; N326-W330 PolarHBondContact OD1-NE1 3.39Å; L327-W330 PolarHBondContact O-N 2.84Å; W330-Y334 HydrophobicContact CD2-CD2 4.3Å; W330-Y334 AromaticContact CE3-CD2 3.25Å; W330-Y334 HydrophobicContact CE3-CD2 3.25Å; W330-Y334 AromaticContact CE3-CE2 3.6Å; W330-Y334 HydrophobicContact CE3-CE2 3.6Å; W330-Y334 AromaticContact CE3-CG 3.87Å; W330-Y334 HydrophobicContact CE3-CG 3.87Å; W330-Y334 HydrophobicContact CH2-CE2 4.12Å; W330-Y334 HydrophobicContact CZ3-CD1 4.39Å; W330-Y334 AromaticContact CZ3-CD2 3.43Å; W330-Y334 HydrophobicContact CZ3-CD2 3.43Å; W330-Y334 VanDerWaalsContact CZ3-CD2 3.43Å; W330-Y334 HydrophobicContact CZ3-CE1 4.3Å; W330-Y334 AromaticContact CZ3-CE2 3.31Å; W330-Y334 HydrophobicContact CZ3-CE2 3.31Å; W330-Y334 AromaticContact CZ3-CG 3.96Å; W330-Y334 HydrophobicContact CZ3-CG 3.96Å; W330-Y334 AromaticContact CZ3-CZ 3.77Å; W330-C335 PolarHBondContact O-N 3.12Å; W330-F336 HydrophobicContact CB-CD2 4.17Å; W330-F336 HydrophobicContact CE3-CD2 4.14Å; W330-F336 AromaticContact CE3-CE2 3.76Å; W330-F336 HydrophobicContact CE3-CE2 3.76Å; W330-F336 HydrophobicContact CZ3-CE2 4.27Å; W330-F336 PolarHBondContact O-N 3.48Å; W330-F339 HydrophobicContact CB-CE1 3.78Å; W330-F339 HydrophobicContact CB-CZ 4.07Å
331M98.7Very high98.8Very high5 Ų59.4 Ų9.43%0.0255%0.045CC..Hα-helixtrans-69-42.2173.2-67.3-58.5-7300113.1R175 L327 R328 W329 C335 F336 F339 L385 Y389 C392R175-M331 PolarHBondContact NH2-O 3.43Å; L327-M331 WeakPolarHBondContact O-CG 3.33Å; L327-M331 PolarHBondContact O-N 2.85Å; L327-M331 VanDerWaalsContact O-N 3.13Å; R328-M331 PolarHBondContact O-N 3.3Å; W329-M331 VanDerWaalsContact C-N 3.34Å; W329-M331 PolarHBondContact O-N 3.17Å; M331-C335 WeakPolarHBondContact O-CA 3.43Å; M331-C335 PolarHBondContact O-N 3.2Å; M331-F336 WeakPolarHBondContact CE-O 3.39Å; M331-F339 HydrophobicContact CG-CE2 3.79Å; M331-F339 HydrophobicContact CG-CZ 3.65Å; M331-F339 HydrophobicContact SD-CE2 3.54Å; M331-F339 VanDerWaalsContact SD-CE2 3.54Å; M331-F339 HydrophobicContact SD-CZ 3.54Å; M331-F339 VanDerWaalsContact SD-CZ 3.54Å; M331-L385 HydrophobicContact CG-CD2 4.03Å; M331-Y389 HydrophobicContact CB-CD2 4.36Å; M331-Y389 HydrophobicContact CB-CE1 4.39Å; M331-Y389 HydrophobicContact CB-CE2 3.66Å; M331-Y389 HydrophobicContact CE-CD1 3.97Å; M331-Y389 HydrophobicContact CE-CD2 3.62Å; M331-Y389 HydrophobicContact CE-CE1 4.43Å; M331-Y389 HydrophobicContact CE-CE2 4.12Å; M331-Y389 HydrophobicContact CE-CG 3.52Å; M331-Y389 HydrophobicContact CG-CD2 4Å; M331-Y389 HydrophobicContact CG-CE2 3.67Å; M331-C392 HydrophobicContact CE-CB 4.48Å
332E98.2Very high98.8Very high56 Ų569 Ų926%0.2624%0.044SC..Hα-helixtrans-90.1-44.3-172.9-67.5-161.5161.400113.4R56 Y58 R59 R328 W329 Y389R56-E332 IonicContact NE-OE1 3.24Å; R56-E332 IonicContact NE-OE2 3.88Å; R56-E332 IonicContact NH2-OE1 3.86Å; Y58-E332 PolarHBondContact OH-OE2 3.33Å; R59-E332 IonicContact CZ-OE2 3.94Å; R59-E332 IonicContact NH2-OE2 3.53Å; R59-E332 PolarHBondContact NH2-OE2 2.84Å; R328-E332 HydrophobicContact CG-CG 4.27Å; R328-E332 IonicContact CZ-OE1 3.6Å; R328-E332 IonicContact NE-OE1 3.34Å; R328-E332 PolarHBondContact NE-OE1 2.73Å; R328-E332 IonicContact NE-OE2 2.84Å; R328-E332 IonicContact NH2-OE1 3.73Å; R328-E332 PolarHBondContact NH2-OE1 3.5Å; R328-E332 WeakPolarHBondContact O-CB 3.36Å; R328-E332 PolarHBondContact O-N 3.44Å; W329-E332 PolarHBondContact O-N 2.98Å; E332-Y389 WeakPolarHBondContact CG-OH 3.25Å
333E98.4Very high98.7Very high61 Ų619.4 Ų9.429%0.2855%0.048SC..Hα-helixtrans-76.9-39.7-174.8-176.670.7-168.500112K255 W329K255-E333 VanDerWaalsContact CE-O 3.24Å; K255-E333 WeakPolarHBondContact CE-O 3.34Å; K255-E333 WeakPolarHBondContact CE-OE1 3.38Å; K255-E333 IonicContact NZ-OE1 3.78Å; K255-E333 PolarHBondContact NZ-OE1 3.38Å; W329-E333 HydrophobicContact CD2-CB 3.93Å; W329-E333 HydrophobicContact CD2-CG 4.38Å; W329-E333 HydrophobicContact CE3-CB 3.75Å; W329-E333 HydrophobicContact CE3-CG 4.18Å; W329-E333 HydrophobicContact CH2-CB 3.98Å; W329-E333 HydrophobicContact CH2-CG 3.44Å; W329-E333 VanDerWaalsContact CH2-CG 3.44Å; W329-E333 HydrophobicContact CZ2-CB 4.18Å; W329-E333 HydrophobicContact CZ2-CG 3.69Å; W329-E333 HydrophobicContact CZ3-CB 3.76Å; W329-E333 HydrophobicContact CZ3-CG 3.71Å; W329-E333 VanDerWaalsContact O-CB 3.22Å; W329-E333 WeakPolarHBondContact O-CB 3.32Å; W329-E333 PolarHBondContact O-N 2.78Å
334Y98.8Very high98.7Very high1 Ų19.4 Ų9.40%0.0045%0.048CC..SBendtrans-110.5-6.2-172.9-65.2-85.9000113.7A244 P251 L254 K255 I258 W329 W330 F336A244-Y334 HydrophobicContact CB-CE1 4.06Å; A244-Y334 WeakPolarHBondContact CB-OH 3.37Å; P251-Y334 HydrophobicContact CB-CE1 4.12Å; P251-Y334 WeakPolarHBondContact CB-OH 3.31Å; P251-Y334 WeakPolarHBondContact O-CE1 3.39Å; L254-Y334 HydrophobicContact CB-CD1 4.2Å; L254-Y334 HydrophobicContact CB-CE1 4.16Å; L254-Y334 HydrophobicContact CD2-CD1 3.62Å; L254-Y334 HydrophobicContact CD2-CE1 3.68Å; L254-Y334 HydrophobicContact CD2-CG 4.39Å; L254-Y334 HydrophobicContact CG-CD1 3.79Å; L254-Y334 HydrophobicContact CG-CE1 4.11Å; K255-Y334 HydrophobicContact CG-CD1 3.8Å; K255-Y334 HydrophobicContact CG-CE1 4.26Å; I258-Y334 WeakPolarHBondContact CD1-O 3.24Å; I258-Y334 WeakPolarHBondContact CG2-O 3.43Å; W329-Y334 AromaticContact CE2-CE2 3.86Å; W329-Y334 HydrophobicContact CZ2-CE2 4.01Å; W329-Y334 AromaticContact NE1-CE2 3.61Å; W330-Y334 HydrophobicContact CD2-CD2 4.3Å; W330-Y334 AromaticContact CE3-CD2 3.25Å; W330-Y334 HydrophobicContact CE3-CD2 3.25Å; W330-Y334 AromaticContact CE3-CE2 3.6Å; W330-Y334 HydrophobicContact CE3-CE2 3.6Å; W330-Y334 AromaticContact CE3-CG 3.87Å; W330-Y334 HydrophobicContact CE3-CG 3.87Å; W330-Y334 HydrophobicContact CH2-CE2 4.12Å; W330-Y334 HydrophobicContact CZ3-CD1 4.39Å; W330-Y334 AromaticContact CZ3-CD2 3.43Å; W330-Y334 HydrophobicContact CZ3-CD2 3.43Å; W330-Y334 VanDerWaalsContact CZ3-CD2 3.43Å; W330-Y334 HydrophobicContact CZ3-CE1 4.3Å; W330-Y334 AromaticContact CZ3-CE2 3.31Å; W330-Y334 HydrophobicContact CZ3-CE2 3.31Å; W330-Y334 AromaticContact CZ3-CG 3.96Å; W330-Y334 HydrophobicContact CZ3-CG 3.96Å; W330-Y334 AromaticContact CZ3-CZ 3.77Å; Y334-F336 VanDerWaalsContact C-N 3.32Å; Y334-F336 HydrophobicContact CG-CE2 4.4Å; Y334-F336 PolarHBondContact O-N 3.17Å
335C98.6Very high98.7Very high22 Ų229.7 Ų9.715%0.1495%0.05CC..  trans60.330.8179.8-62.60000115.1R175 H262 W330 M331R175-C335 PolarHBondContact NH1-O 3.08Å; R175-C335 VanDerWaalsContact NH2-C 3.29Å; R175-C335 VanDerWaalsContact NH2-CA 3.33Å; R175-C335 PolarHBondContact NH2-O 3.28Å; H262-C335 PolarHBondContact CE1-O 3.33Å; W330-C335 PolarHBondContact O-N 3.12Å; M331-C335 WeakPolarHBondContact O-CA 3.43Å; M331-C335 PolarHBondContact O-N 3.2Å
336F98.9Very high98.6Very high0 Ų010 Ų100%05%0.052CC..  trans-61.2143170-78.7-78.2000111.9R175 L222 I225 L254 I258 V268 L270 W330 M331 Y334 G338R175-F336 PolarHBondContact NH1-O 3.15Å; R175-F336 PolarHBondContact NH2-O 2.91Å; L222-F336 HydrophobicContact CB-CE1 4.34Å; L222-F336 HydrophobicContact CD2-CE1 4.2Å; L222-F336 HydrophobicContact CD2-CZ 4.3Å; I225-F336 HydrophobicContact CG2-CZ 4.27Å; L254-F336 HydrophobicContact CD1-CZ 4.43Å; L254-F336 HydrophobicContact CD2-CE2 4.48Å; I258-F336 HydrophobicContact CD1-CD1 4.12Å; I258-F336 HydrophobicContact CD1-CD2 3.91Å; I258-F336 HydrophobicContact CD1-CE1 3.8Å; I258-F336 HydrophobicContact CD1-CE2 3.56Å; I258-F336 HydrophobicContact CD1-CG 4.18Å; I258-F336 HydrophobicContact CD1-CZ 3.51Å; I258-F336 HydrophobicContact CG1-CE1 4.36Å; I258-F336 HydrophobicContact CG1-CZ 4.43Å; V268-F336 HydrophobicContact CB-CD1 4.29Å; V268-F336 HydrophobicContact CG1-CD1 3.86Å; V268-F336 HydrophobicContact CG1-CE1 3.71Å; L270-F336 HydrophobicContact CB-CB 4.46Å; L270-F336 HydrophobicContact CB-CD1 3.62Å; L270-F336 HydrophobicContact CB-CD2 4.08Å; L270-F336 HydrophobicContact CB-CE1 3.7Å; L270-F336 HydrophobicContact CB-CE2 4.17Å; L270-F336 HydrophobicContact CB-CG 3.81Å; L270-F336 HydrophobicContact CB-CZ 3.98Å; L270-F336 HydrophobicContact CD1-CE1 4.44Å; L270-F336 HydrophobicContact CD1-CE2 4.37Å; L270-F336 HydrophobicContact CD1-CZ 4.05Å; L270-F336 HydrophobicContact CD2-CD2 4.25Å; L270-F336 HydrophobicContact CD2-CE2 4.2Å; L270-F336 HydrophobicContact CG-CE2 4.49Å; L270-F336 HydrophobicContact CG-CZ 4.45Å; W330-F336 HydrophobicContact CB-CD2 4.17Å; W330-F336 HydrophobicContact CE3-CD2 4.14Å; W330-F336 AromaticContact CE3-CE2 3.76Å; W330-F336 HydrophobicContact CE3-CE2 3.76Å; W330-F336 HydrophobicContact CZ3-CE2 4.27Å; W330-F336 PolarHBondContact O-N 3.48Å; M331-F336 WeakPolarHBondContact CE-O 3.39Å; Y334-F336 VanDerWaalsContact C-N 3.32Å; Y334-F336 HydrophobicContact CG-CE2 4.4Å; Y334-F336 PolarHBondContact O-N 3.17Å; F336-G338 VanDerWaalsContact C-N 3.33Å
337D98.9Very high98.6Very high10 Ų1010.2 Ų10.25%0.0535%0.053CC..  trans-89.52.8-175.1-58.2-65.2000114.1R175 H262 V267 V268 L269 C392 I393R175-D337 WeakPolarHBondContact CG-OD1 3.44Å; R175-D337 IonicContact CZ-OD1 3.8Å; R175-D337 VanDerWaalsContact NH1-CA 3.32Å; R175-D337 IonicContact NH1-OD1 3.84Å; R175-D337 PolarHBondContact NH1-OD1 3.41Å; H262-D337 IonicContact CD2-OD2 3.32Å; H262-D337 IonicContact CE1-OD1 3.95Å; H262-D337 IonicContact CE1-OD2 2.96Å; H262-D337 IonicContact NE2-OD1 3.41Å; H262-D337 PolarHBondContact NE2-OD1 3Å; H262-D337 IonicContact NE2-OD2 3.45Å; H262-D337 PolarHBondContact NE2-OD2 3.17Å; V267-D337 VanDerWaalsContact CA-OD2 3.27Å; V267-D337 WeakPolarHBondContact CA-OD2 3.3Å; V267-D337 HydrophobicContact CB-CB 3.91Å; V267-D337 HydrophobicContact CG1-CB 4.37Å; V268-D337 PolarHBondContact N-OD2 3.33Å; V268-D337 PolarHBondContact O-N 3.06Å; L269-D337 HydrophobicContact CD2-CB 4.44Å; D337-C392 WeakPolarHBondContact O-CA 3.45Å; D337-I393 PolarHBondContact O-N 3.47Å
338G98.9Very high98.6Very high0 Ų010 Ų100%05%0.052CC..EExtended strand (participates in β ladder)trans151.3-164.5-178.700000111.5L269 L270 F336 I393L269-G338 WeakPolarHBondContact CA-O 3.15Å; L270-G338 PolarHBondContact N-O 2.94Å; F336-G338 VanDerWaalsContact C-N 3.33Å; G338-I393 CarbonylContact C-O 3.4Å; G338-I393 WeakPolarHBondContact CA-O 3.47Å
339F98.9Very high98.6Very high0 Ų09.4 Ų9.40%05%0.05CC..EExtended strand (participates in β ladder)trans-144148.9-165.1-54.5-68.7000112.7L270 V272 L327 W330 M331 F341 L385 I393 T394 I395L270-F339 HydrophobicContact CB-CD1 3.82Å; L270-F339 HydrophobicContact CB-CE1 4.07Å; L270-F339 HydrophobicContact CD2-CD1 4.2Å; L270-F339 HydrophobicContact CD2-CE1 3.94Å; L270-F339 HydrophobicContact CG-CD1 4.25Å; L270-F339 HydrophobicContact CG-CE1 4.44Å; L270-F339 CarbonylContact O-C 3.56Å; L270-F339 WeakPolarHBondContact O-CA 3.48Å; V272-F339 HydrophobicContact CG2-CB 3.98Å; V272-F339 HydrophobicContact CG2-CD1 3.24Å; V272-F339 HydrophobicContact CG2-CE1 3.89Å; V272-F339 HydrophobicContact CG2-CG 3.76Å; L327-F339 HydrophobicContact CB-CE2 4.46Å; L327-F339 HydrophobicContact CD2-CD2 4.15Å; L327-F339 HydrophobicContact CD2-CE2 4.14Å; L327-F339 HydrophobicContact CD2-CG 4.41Å; L327-F339 HydrophobicContact CD2-CZ 4.38Å; L327-F339 WeakPolarHBondContact O-CZ 3.3Å; W330-F339 HydrophobicContact CB-CE1 3.78Å; W330-F339 HydrophobicContact CB-CZ 4.07Å; M331-F339 HydrophobicContact CG-CE2 3.79Å; M331-F339 HydrophobicContact CG-CZ 3.65Å; M331-F339 HydrophobicContact SD-CE2 3.54Å; M331-F339 VanDerWaalsContact SD-CE2 3.54Å; M331-F339 HydrophobicContact SD-CZ 3.54Å; M331-F339 VanDerWaalsContact SD-CZ 3.54Å; F339-F341 HydrophobicContact CB-CD2 3.92Å; F339-F341 HydrophobicContact CB-CE2 3.68Å; F339-F341 HydrophobicContact CD2-CE2 4.3Å; F339-F341 HydrophobicContact CG-CE2 4.28Å; F339-L385 HydrophobicContact CD2-CD1 3.72Å; F339-L385 HydrophobicContact CD2-CD2 4.39Å; F339-L385 HydrophobicContact CE2-CD1 3.9Å; F339-L385 HydrophobicContact CE2-CD2 3.72Å; F339-L385 HydrophobicContact CE2-CG 4.49Å; F339-I393 PolarHBondContact N-O 3.31Å; F339-T394 CarbonylContact O-C 3.58Å; F339-T394 VanDerWaalsContact O-CA 3.3Å; F339-T394 WeakPolarHBondContact O-CA 3.18Å; F339-I395 PolarHBondContact O-N 2.83Å
340R98.9Very high98.5Very high6 Ų613.2 Ų13.22%0.0237%0.068CC..EExtended strand (participates in β ladder)trans-98.9129.5149.6-176.6178.267.3-167.9-1.5107.8E186 L270 D271 V272 D342 I395E186-R340 IonicContact OE1-CZ 2.68Å; E186-R340 IonicContact OE1-NH1 3.33Å; E186-R340 PolarHBondContact OE1-NH1 3.04Å; E186-R340 IonicContact OE1-NH2 3.95Å; E186-R340 PolarHBondContact OE1-NH2 3.2Å; L270-R340 PolarHBondContact O-N 2.65Å; D271-R340 IonicContact OD1-CZ 3.08Å; D271-R340 VanDerWaalsContact OD1-CZ 3.28Å; D271-R340 IonicContact OD1-NE 3.92Å; D271-R340 PolarHBondContact OD1-NE 2.8Å; D271-R340 VanDerWaalsContact OD1-NE 3.11Å; D271-R340 IonicContact OD1-NH2 3.05Å; D271-R340 PolarHBondContact OD1-NH2 3.42Å; D271-R340 IonicContact OD2-CZ 3.59Å; D271-R340 IonicContact OD2-NE 3.77Å; D271-R340 IonicContact OD2-NH2 3.88Å; D271-R340 PolarHBondContact OD2-NH2 2.95Å; V272-R340 PolarHBondContact N-O 3.46Å; R340-D342 WeakPolarHBondContact CD-OD1 3.46Å; R340-D342 WeakPolarHBondContact CG-OD1 3.3Å; R340-D342 IonicContact CZ-OD1 3.36Å; R340-D342 IonicContact NE-OD1 3.76Å; R340-D342 PolarHBondContact NE-OD1 2.61Å; R340-D342 IonicContact NH2-OD1 2.7Å; R340-I395 CarbonylContact C-O 3.57Å; R340-I395 VanDerWaalsContact CA-O 3.3Å; R340-I395 WeakPolarHBondContact CA-O 3.37Å; R340-I395 HydrophobicContact CB-CB 4.23Å; R340-I395 HydrophobicContact CG-CB 4.2Å; R340-I395 HydrophobicContact CG-CG2 4.3Å
341F98.9Very high98.3Very high1 Ų115.8 Ų15.80%0.0048%0.08CC..EExtended strand (participates in β ladder)trans-95.3120.4171.8-74.1-116.8000108.2V272 L327 F339 I344 L378 L385 T394 I395 E397 F416V272-F341 HydrophobicContact CG1-CD1 4.43Å; V272-F341 HydrophobicContact CG1-CE1 4.41Å; V272-F341 WeakPolarHBondContact O-CA 3.47Å; L327-F341 HydrophobicContact CD1-CE1 4.29Å; L327-F341 HydrophobicContact CD1-CZ 3.89Å; L327-F341 HydrophobicContact CD2-CE1 4.11Å; L327-F341 HydrophobicContact CD2-CE2 4.38Å; L327-F341 HydrophobicContact CD2-CZ 3.61Å; L327-F341 HydrophobicContact CG-CZ 4.41Å; F339-F341 HydrophobicContact CB-CD2 3.92Å; F339-F341 HydrophobicContact CB-CE2 3.68Å; F339-F341 HydrophobicContact CD2-CE2 4.3Å; F339-F341 HydrophobicContact CG-CE2 4.28Å; F341-I344 HydrophobicContact CB-CD1 3.57Å; F341-I344 HydrophobicContact CB-CG1 3.95Å; F341-I344 HydrophobicContact CG-CD1 4.44Å; F341-I344 WeakPolarHBondContact O-CG1 3.39Å; F341-L378 HydrophobicContact CD1-CD2 4.08Å; F341-L378 HydrophobicContact CE1-CD2 4.43Å; F341-L385 HydrophobicContact CE2-CD1 4.44Å; F341-L385 HydrophobicContact CZ-CD1 4.33Å; F341-T394 HydrophobicContact CE2-CG2 4.22Å; F341-I395 PolarHBondContact N-O 2.96Å; F341-E397 WeakPolarHBondContact O-CB 3.47Å; F341-E397 PolarHBondContact O-N 2.87Å; F341-F416 HydrophobicContact CB-CE1 3.93Å; F341-F416 HydrophobicContact CB-CZ 4.11Å; F341-F416 HydrophobicContact CD1-CZ 4.47Å; F341-F416 AromaticContact CD2-CE1 3.62Å; F341-F416 HydrophobicContact CD2-CE1 3.62Å; F341-F416 HydrophobicContact CD2-CZ 4.28Å; F341-F416 HydrophobicContact CE2-CE1 4.25Å; F341-F416 AromaticContact CG-CE1 3.82Å; F341-F416 HydrophobicContact CG-CE1 3.82Å; F341-F416 HydrophobicContact CG-CZ 4.06Å
342D98.5Very high98.2Very high2 Ų217.6 Ų17.61%0.0119%0.088CC..THydrogen-bonded Turntrans-95.4144.5-173.1-61.5-30000112.2Y236 D271 V272 V273 S275 R340 E397Y236-D342 HydrophobicContact CD1-CB 4.47Å; Y236-D342 HydrophobicContact CE1-CB 3.98Å; D271-D342 WeakPolarHBondContact CB-OD2 3.43Å; D271-D342 VanDerWaalsContact CG-OD2 3.3Å; V272-D342 PolarHBondContact O-N 3.33Å; V272-D342 VanDerWaalsContact O-N 3.09Å; V273-D342 HydrophobicContact CG2-CB 4.27Å; S275-D342 VanDerWaalsContact CB-O 3.27Å; S275-D342 WeakPolarHBondContact CB-O 3.3Å; S275-D342 PolarHBondContact OG-O 3Å; R340-D342 WeakPolarHBondContact CD-OD1 3.46Å; R340-D342 WeakPolarHBondContact CG-OD1 3.3Å; R340-D342 IonicContact CZ-OD1 3.36Å; R340-D342 IonicContact NE-OD1 3.76Å; R340-D342 PolarHBondContact NE-OD1 2.61Å; R340-D342 IonicContact NH2-OD1 2.7Å; D342-E397 WeakPolarHBondContact CA-OE2 3.47Å
343G97.4Very high98Very high9 Ų915.8 Ų15.89%0.0938%0.084CC..THydrogen-bonded Turntrans67.333.8-178.900000113.9T345 S346 M347 E397G343-T345 VanDerWaalsContact C-N 3.28Å; G343-T345 PolarHBondContact O-N 2.6Å; G343-S346 VanDerWaalsContact O-CB 3.32Å; G343-S346 WeakPolarHBondContact O-CB 3.2Å; G343-S346 PolarHBondContact O-N 3.36Å; G343-M347 PolarHBondContact O-N 3.42Å; G343-E397 PolarHBondContact N-OE2 3.42Å
344I98.5Very high97.6Very high0 Ų016 Ų160%09%0.087CC..Hα-helixtrans-58.6-40.3180-69-60.6000111F341 S346 M347 L348 L378 A396 E397 D398 L405 F416F341-I344 HydrophobicContact CB-CD1 3.57Å; F341-I344 HydrophobicContact CB-CG1 3.95Å; F341-I344 HydrophobicContact CG-CD1 4.44Å; F341-I344 WeakPolarHBondContact O-CG1 3.39Å; I344-S346 PolarHBondContact O-N 3.27Å; I344-M347 HydrophobicContact CD1-SD 3.85Å; I344-M347 WeakPolarHBondContact O-CA 3.37Å; I344-M347 WeakPolarHBondContact O-CB 3.3Å; I344-M347 PolarHBondContact O-N 3.22Å; I344-L348 HydrophobicContact CG2-CD1 3.67Å; I344-L348 HydrophobicContact CG2-CD2 4.22Å; I344-L348 HydrophobicContact CG2-CG 3.72Å; I344-L348 VanDerWaalsContact O-CG 3.29Å; I344-L348 WeakPolarHBondContact O-CG 3.28Å; I344-L348 PolarHBondContact O-N 2.86Å; I344-L378 HydrophobicContact CD1-CD1 3.92Å; I344-L378 HydrophobicContact CD1-CD2 3.7Å; I344-L378 HydrophobicContact CD1-CG 4.48Å; I344-L378 HydrophobicContact CG2-CD1 4.42Å; I344-A396 HydrophobicContact CG1-CB 4.01Å; I344-A396 HydrophobicContact CG2-CB 4.49Å; I344-E397 WeakPolarHBondContact CB-O 3.35Å; I344-E397 PolarHBondContact N-O 2.94Å; I344-D398 HydrophobicContact CB-CB 4.25Å; I344-D398 HydrophobicContact CG2-CB 4.07Å; I344-L405 HydrophobicContact CG2-CD1 4.21Å; I344-F416 HydrophobicContact CD1-CE2 4.42Å; I344-F416 HydrophobicContact CD1-CZ 3.86Å; I344-F416 HydrophobicContact CG1-CZ 4.33Å
345T98.3Very high97.2Very high10 Ų1020.2 Ų20.26%0.06113%0.13CC..Hα-helixtrans-56.6-36.2175.4-52.60000112.7G343 M347 Y349 F358 D398 V399 S400G343-T345 VanDerWaalsContact C-N 3.28Å; G343-T345 PolarHBondContact O-N 2.6Å; T345-M347 VanDerWaalsContact C-N 3.32Å; T345-Y349 HydrophobicContact CG2-CD2 4.13Å; T345-Y349 HydrophobicContact CG2-CE2 4.29Å; T345-Y349 WeakPolarHBondContact O-CD2 3.3Å; T345-F358 HydrophobicContact CG2-CE2 4.26Å; T345-F358 HydrophobicContact CG2-CZ 4.36Å; T345-D398 WeakPolarHBondContact OG1-CA 3.37Å; T345-D398 PolarHBondContact OG1-OD1 3.2Å; T345-V399 HydrophobicContact CG2-CG1 3.99Å; T345-V399 PolarHBondContact OG1-N 3.07Å; T345-S400 PolarHBondContact OG1-N 2.86Å
346S98.3Very high96.8Very high5 Ų521.9 Ų21.94%0.03514%0.14CC..Hα-helixtrans-67.2-35.7175.9-177.60000111.9H304 G343 I344 H352H304-S346 PolarHBondContact CD2-OG 3.23Å; H304-S346 VanDerWaalsContact CD2-OG 3.23Å; H304-S346 PolarHBondContact NE2-OG 3.14Å; H304-S346 VanDerWaalsContact NE2-OG 3.13Å; G343-S346 VanDerWaalsContact O-CB 3.32Å; G343-S346 WeakPolarHBondContact O-CB 3.2Å; G343-S346 PolarHBondContact O-N 3.36Å; I344-S346 PolarHBondContact O-N 3.27Å; S346-H352 PolarHBondContact O-ND1 3.38Å
347M98.6Very high96.3Very high6 Ų624.6 Ų24.63%0.0317%0.168CC..Hα-helixtrans-71.4-44.2176.2-60.5179.966.100112.1Y314 G343 I344 T345 Y349 D371 S374 Y377 L378Y314-M347 HydrophobicContact CE1-CE 3.8Å; G343-M347 PolarHBondContact O-N 3.42Å; I344-M347 HydrophobicContact CD1-SD 3.85Å; I344-M347 WeakPolarHBondContact O-CA 3.37Å; I344-M347 WeakPolarHBondContact O-CB 3.3Å; I344-M347 PolarHBondContact O-N 3.22Å; T345-M347 VanDerWaalsContact C-N 3.32Å; M347-Y349 PolarHBondContact O-N 3.12Å; M347-D371 WeakPolarHBondContact O-CB 3.19Å; M347-S374 WeakPolarHBondContact O-CB 3.24Å; M347-S374 PolarHBondContact O-OG 3.21Å; M347-Y377 HydrophobicContact CE-CD1 3.73Å; M347-Y377 HydrophobicContact CE-CE1 3.77Å; M347-L378 HydrophobicContact CE-CD1 4.33Å; M347-L378 HydrophobicContact CE-CD2 3.67Å; M347-L378 HydrophobicContact CE-CG 4Å; M347-L378 HydrophobicContact SD-CD2 4.16Å
348L98.4Very high96Very high0 Ų026.4 Ų26.40%018%0.176CC..Hα-helixtrans-64-27-171.5-69.3176.9000113.7I344 V370 D371 L375 L378 M402 L414I344-L348 HydrophobicContact CG2-CD1 3.67Å; I344-L348 HydrophobicContact CG2-CD2 4.22Å; I344-L348 HydrophobicContact CG2-CG 3.72Å; I344-L348 VanDerWaalsContact O-CG 3.29Å; I344-L348 WeakPolarHBondContact O-CG 3.28Å; I344-L348 PolarHBondContact O-N 2.86Å; L348-V370 CarbonylContact O-C 3.58Å; L348-V370 VanDerWaalsContact O-CA 3.3Å; L348-V370 WeakPolarHBondContact O-CA 3.28Å; L348-V370 WeakPolarHBondContact O-CG1 3.38Å; L348-D371 PolarHBondContact O-N 3.11Å; L348-L375 HydrophobicContact CD2-CD2 3.34Å; L348-L375 HydrophobicContact CD2-CG 4.25Å; L348-L378 HydrophobicContact CD2-CD1 4.16Å; L348-M402 HydrophobicContact CD1-CB 3.95Å; L348-M402 HydrophobicContact CD1-CG 4.45Å; L348-M402 HydrophobicContact CD1-SD 3.69Å; L348-M402 HydrophobicContact CD2-SD 3.69Å; L348-M402 HydrophobicContact CG-SD 4.21Å; L348-L414 HydrophobicContact CD2-CD1 3.85Å
349Y98.3Very high95.7Very high0 Ų030.9 Ų30.90%021%0.207CC..BIsolated β-bridgetrans-130.6139.2-171.2-53.9-70.8000112T345 M347 H351 H352 F358 Y365 Q369 V370T345-Y349 HydrophobicContact CG2-CD2 4.13Å; T345-Y349 HydrophobicContact CG2-CE2 4.29Å; T345-Y349 WeakPolarHBondContact O-CD2 3.3Å; M347-Y349 PolarHBondContact O-N 3.12Å; Y349-H351 WeakPolarHBondContact CB-NE2 3.4Å; Y349-H351 AromaticContact CD1-NE2 3.85Å; Y349-H351 AromaticContact CG-CE1 3.72Å; Y349-H351 AromaticContact CG-NE2 3.71Å; Y349-H351 PolarHBondContact O-N 3.2Å; Y349-H352 WeakPolarHBondContact O-CA 3.29Å; Y349-H352 PolarHBondContact O-N 2.74Å; Y349-H352 PolarHBondContact O-ND1 3.41Å; Y349-F358 HydrophobicContact CD2-CE1 4.35Å; Y349-F358 AromaticContact CD2-CZ 3.95Å; Y349-F358 HydrophobicContact CD2-CZ 3.95Å; Y349-F358 AromaticContact CE2-CE1 3.84Å; Y349-F358 HydrophobicContact CE2-CE1 3.84Å; Y349-F358 AromaticContact CE2-CZ 3.75Å; Y349-F358 HydrophobicContact CE2-CZ 3.75Å; Y349-F358 AromaticContact CZ-CE1 3.97Å; Y349-Y365 WeakPolarHBondContact OH-CD1 3.42Å; Y349-Q369 CarbonylContact C-O 3.25Å; Y349-Q369 WeakPolarHBondContact CA-O 3.36Å; Y349-Q369 HydrophobicContact CD1-CG 4.21Å; Y349-V370 HydrophobicContact CD1-CG2 4.17Å; Y349-V370 HydrophobicContact CE1-CG2 3.99Å
350H96.9Very high95.4Very high83 Ų8332.5 Ų32.538%0.38422%0.224SC..THydrogen-bonded Turntrans-64-21.1174.4-65.4-47.5000113.6H352 Q369 D371H350-H352 PolarHBondContact O-NE2 3.21Å; H350-Q369 PolarHBondContact N-O 3.34Å; H350-D371 IonicContact CE1-OD2 3.43Å; H350-D371 PolarHBondContact CE1-OD2 3.41Å; H350-D371 IonicContact ND1-OD2 3.09Å; H350-D371 PolarHBondContact ND1-OD2 3.38Å; H350-D371 VanDerWaalsContact ND1-OD2 3.12Å
351H95.3Very high95.1Very high55 Ų5536 Ų3626%0.25524%0.243SC..THydrogen-bonded Turntrans-90.3-1.6171.759.180.4000113Y349 G353 I354 T356Y349-H351 WeakPolarHBondContact CB-NE2 3.4Å; Y349-H351 AromaticContact CD1-NE2 3.85Å; Y349-H351 AromaticContact CG-CE1 3.72Å; Y349-H351 AromaticContact CG-NE2 3.71Å; Y349-H351 PolarHBondContact O-N 3.2Å; H351-G353 PolarHBondContact ND1-N 3.48Å; H351-G353 VanDerWaalsContact ND1-N 3.13Å; H351-G353 PolarHBondContact O-N 3.39Å; H351-I354 PolarHBondContact O-N 3.38Å; H351-T356 PolarHBondContact ND1-OG1 2.95Å
352H95.9Very high95Very high42 Ų4237.7 Ų37.719%0.19425%0.25CC..THydrogen-bonded Turntrans59.218.2176.1-46-58.8000115.8H304 L311 S346 Y349 H350 I354H304-H352 AromaticContact CD2-CD2 3.72Å; H304-H352 AromaticContact CD2-CG 3.6Å; H304-H352 WeakPolarHBondContact NE2-CB 3.39Å; H304-H352 AromaticContact NE2-CG 3.65Å; L311-H352 VanDerWaalsContact CD1-CE1 3.44Å; L311-H352 WeakPolarHBondContact CD1-CE1 3.44Å; L311-H352 WeakPolarHBondContact CD1-NE2 3.37Å; S346-H352 PolarHBondContact O-ND1 3.38Å; Y349-H352 WeakPolarHBondContact O-CA 3.29Å; Y349-H352 PolarHBondContact O-N 2.74Å; Y349-H352 PolarHBondContact O-ND1 3.41Å; H350-H352 PolarHBondContact O-NE2 3.21Å; H352-I354 HydrophobicContact CB-CD1 4.12Å; H352-I354 HydrophobicContact CB-CG1 4.15Å; H352-I354 PolarHBondContact O-N 3.5Å
353G93.3Very high94.8Very high18 Ų1840.6 Ų40.619%0.18627%0.265CS..THydrogen-bonded Turntrans71.40.9-169.900000114.7H351 G355 T356H351-G353 PolarHBondContact ND1-N 3.48Å; H351-G353 VanDerWaalsContact ND1-N 3.13Å; H351-G353 PolarHBondContact O-N 3.39Å; G353-G355 PolarHBondContact O-N 3.04Å; G353-T356 PolarHBondContact O-N 3.37Å
354I91.6Very high94.7Very high66 Ų6642.7 Ų42.734%0.33827%0.272SS..THydrogen-bonded Turntrans-68.1127.9-178.4-61.1170000109.6L306 H351 H352 T356L306-I354 HydrophobicContact CB-CD1 3.87Å; L306-I354 HydrophobicContact CD2-CD1 4.48Å; L306-I354 HydrophobicContact CD2-CG1 4.26Å; H351-I354 PolarHBondContact O-N 3.38Å; H352-I354 HydrophobicContact CB-CD1 4.12Å; H352-I354 HydrophobicContact CB-CG1 4.15Å; H352-I354 PolarHBondContact O-N 3.5Å; I354-T356 PolarHBondContact O-N 3.04Å; I354-T356 PolarHBondContact O-OG1 3.29Å; I354-T356 VanDerWaalsContact O-OG1 3.04Å
355G89.5Confident94.6Very high89 Ų8943.2 Ų43.292%0.91827%0.274SS*.THydrogen-bonded Turntrans59.617.3179.900000114.2G353G353-G355 PolarHBondContact O-N 3.04Å
356T89.8Confident94.5Very high57 Ų5743.1 Ų43.135%0.3527%0.273SS..  trans-115.2126.3-175.4-52.30000109.6H351 G353 I354 F358H351-T356 PolarHBondContact ND1-OG1 2.95Å; G353-T356 PolarHBondContact O-N 3.37Å; I354-T356 PolarHBondContact O-N 3.04Å; I354-T356 PolarHBondContact O-OG1 3.29Å; I354-T356 VanDerWaalsContact O-OG1 3.04Å; T356-F358 HydrophobicContact CG2-CZ 4.32Å
357G88.8Confident94.3Very high58 Ų5844.1 Ų44.160%0.59828%0.284SS*.  trans-89.6149.3169.800000111.1
358F93.9Very high94Very high48 Ų4851.8 Ų51.821%0.21133%0.325CS..  trans-115.9103.1173.3-63.3-84.2000108.7T345 Y349 T356 G360 E364 Y365 S400T345-F358 HydrophobicContact CG2-CE2 4.26Å; T345-F358 HydrophobicContact CG2-CZ 4.36Å; Y349-F358 HydrophobicContact CD2-CE1 4.35Å; Y349-F358 AromaticContact CD2-CZ 3.95Å; Y349-F358 HydrophobicContact CD2-CZ 3.95Å; Y349-F358 AromaticContact CE2-CE1 3.84Å; Y349-F358 HydrophobicContact CE2-CE1 3.84Å; Y349-F358 AromaticContact CE2-CZ 3.75Å; Y349-F358 HydrophobicContact CE2-CZ 3.75Å; Y349-F358 AromaticContact CZ-CE1 3.97Å; T356-F358 HydrophobicContact CG2-CZ 4.32Å; F358-G360 VanDerWaalsContact C-N 3.32Å; F358-E364 WeakPolarHBondContact CA-OE2 3.35Å; F358-E364 HydrophobicContact CD1-CB 4.27Å; F358-Y365 HydrophobicContact CB-CE1 4.33Å; F358-Y365 HydrophobicContact CD1-CD1 4.18Å; F358-Y365 AromaticContact CD1-CE1 3.68Å; F358-Y365 HydrophobicContact CD1-CE1 3.68Å; F358-Y365 HydrophobicContact CE1-CE1 4.4Å; F358-Y365 HydrophobicContact CG-CE1 4.3Å; F358-S400 WeakPolarHBondContact CB-O 3.38Å; F358-S400 WeakPolarHBondContact CG-O 3.38Å; F358-S400 VanDerWaalsContact CZ-CB 3.49Å
359S91.9Very high93.9Very high93 Ų9354.3 Ų54.365%0.6534%0.336SS*.  trans-79.1-19.5-17868.80000112.7D361 E364S359-D361 PolarHBondContact OG-N 3.29Å; S359-E364 WeakPolarHBondContact CB-OE1 3.26Å; S359-E364 PolarHBondContact N-OE1 3.05Å; S359-E364 PolarHBondContact N-OE2 3.13Å; S359-E364 VanDerWaalsContact OG-CD 3.25Å; S359-E364 PolarHBondContact OG-OE1 3.34Å; S359-E364 PolarHBondContact OG-OE2 3.19Å
360G91.7Very high93.8Very high35 Ų3554.4 Ų54.436%0.36134%0.337SS..SBendtrans100.6-2.5-16900000113.3F358 Y362 E364F358-G360 VanDerWaalsContact C-N 3.32Å; G360-Y362 VanDerWaalsContact O-CD1 3.31Å; G360-Y362 WeakPolarHBondContact O-CD1 3.16Å; G360-Y362 PolarHBondContact O-N 3.01Å; G360-E364 PolarHBondContact N-OE2 2.68Å
361D94.1Very high93.9Very high79 Ų7951.1 Ų51.142%0.42232%0.322SS..  trans-66.4130.6168.3-169.8-37.6000109.8S359 N363 E364 Y365S359-D361 PolarHBondContact OG-N 3.29Å; D361-N363 PolarHBondContact O-N 2.84Å; D361-N363 PolarHBondContact OD1-N 2.9Å; D361-N363 PolarHBondContact OD1-ND2 2.82Å; D361-E364 HydrophobicContact CB-CG 4.35Å; D361-E364 WeakPolarHBondContact O-CB 3.5Å; D361-E364 PolarHBondContact O-N 3.49Å; D361-E364 VanDerWaalsContact O-N 3.1Å; D361-Y365 WeakPolarHBondContact O-CD2 3.34Å; D361-Y365 WeakPolarHBondContact O-CE2 3.29Å
362Y95.3Very high93.9Very high37 Ų3750.5 Ų50.515%0.14532%0.319CS..Hα-helixtrans-68-24.2-172.7-76.249.3000112.3D20 N22 L23 Y26 G360 E364 Y365 F366 P403 R453D20-Y362 WeakPolarHBondContact OD2-CE2 3.32Å; D20-Y362 VanDerWaalsContact OD2-CZ 3.31Å; D20-Y362 PolarHBondContact OD2-OH 2.84Å; N22-Y362 HydrophobicContact CB-CD2 4.31Å; N22-Y362 HydrophobicContact CB-CE2 4.04Å; L23-Y362 HydrophobicContact CD2-CD2 3.65Å; L23-Y362 HydrophobicContact CD2-CE2 3.49Å; L23-Y362 VanDerWaalsContact CD2-CE2 3.49Å; L23-Y362 HydrophobicContact CG-CD2 4.42Å; L23-Y362 HydrophobicContact CG-CE2 3.94Å; Y26-Y362 HydrophobicContact CD2-CD2 4.5Å; Y26-Y362 HydrophobicContact CE2-CD2 4.21Å; Y26-Y362 HydrophobicContact CE2-CG 4.23Å; Y26-Y362 WeakPolarHBondContact OH-CB 3.22Å; G360-Y362 VanDerWaalsContact O-CD1 3.31Å; G360-Y362 WeakPolarHBondContact O-CD1 3.16Å; G360-Y362 PolarHBondContact O-N 3.01Å; Y362-E364 PolarHBondContact O-N 2.91Å; Y362-E364 VanDerWaalsContact O-N 3.14Å; Y362-Y365 PolarHBondContact O-N 2.93Å; Y362-F366 HydrophobicContact CD2-CE2 4.11Å; Y362-F366 VanDerWaalsContact O-CD2 3.27Å; Y362-F366 WeakPolarHBondContact O-CD2 3.38Å; Y362-F366 PolarHBondContact O-N 3.24Å; Y362-P403 HydrophobicContact CD2-CG 4.21Å; Y362-P403 HydrophobicContact CE2-CB 4.23Å; Y362-P403 HydrophobicContact CE2-CG 3.86Å; Y362-R453 PolarHBondContact OH-NH1 3.27Å; Y362-R453 PolarHBondContact OH-NH2 3.16Å
363N94.4Very high94Very high62 Ų6251.4 Ų51.433%0.33232%0.324SS..Hα-helixtrans-64-18.7176.8-61.6-72.1000112.6R25 Y26 D361 Q369R25-N363 PolarHBondContact NH1-ND2 2.9Å; R25-N363 PolarHBondContact NH1-OD1 3.16Å; R25-N363 PolarHBondContact NH2-OD1 3.42Å; Y26-N363 VanDerWaalsContact OH-CG 3.27Å; Y26-N363 PolarHBondContact OH-N 2.86Å; Y26-N363 VanDerWaalsContact OH-N 3.14Å; Y26-N363 PolarHBondContact OH-OD1 3.04Å; D361-N363 PolarHBondContact O-N 2.84Å; D361-N363 PolarHBondContact OD1-N 2.9Å; D361-N363 PolarHBondContact OD1-ND2 2.82Å; N363-Q369 PolarHBondContact O-NE2 2.99Å
364E95.4Very high94.2Very high53 Ų5350.5 Ų50.525%0.24832%0.315CS..Hα-helixtrans-75.1-30.2176.4-60.3166.7169.800111.2F358 S359 G360 D361 Y362 Q369F358-E364 WeakPolarHBondContact CA-OE2 3.35Å; F358-E364 HydrophobicContact CD1-CB 4.27Å; S359-E364 WeakPolarHBondContact CB-OE1 3.26Å; S359-E364 PolarHBondContact N-OE1 3.05Å; S359-E364 PolarHBondContact N-OE2 3.13Å; S359-E364 VanDerWaalsContact OG-CD 3.25Å; S359-E364 PolarHBondContact OG-OE1 3.34Å; S359-E364 PolarHBondContact OG-OE2 3.19Å; G360-E364 PolarHBondContact N-OE2 2.68Å; D361-E364 HydrophobicContact CB-CG 4.35Å; D361-E364 WeakPolarHBondContact O-CB 3.5Å; D361-E364 PolarHBondContact O-N 3.49Å; D361-E364 VanDerWaalsContact O-N 3.1Å; Y362-E364 PolarHBondContact O-N 2.91Å; Y362-E364 VanDerWaalsContact O-N 3.14Å; E364-Q369 PolarHBondContact O-NE2 2.85Å
365Y96.6Very high94.5Very high12 Ų1247.4 Ų47.45%0.04730%0.299CS..Hα-helixtrans-96.3-11.7-176.1-49.4-78000114.4Y349 F358 D361 Y362 V370 S400 M402 P403Y349-Y365 WeakPolarHBondContact OH-CD1 3.42Å; F358-Y365 HydrophobicContact CB-CE1 4.33Å; F358-Y365 HydrophobicContact CD1-CD1 4.18Å; F358-Y365 AromaticContact CD1-CE1 3.68Å; F358-Y365 HydrophobicContact CD1-CE1 3.68Å; F358-Y365 HydrophobicContact CE1-CE1 4.4Å; F358-Y365 HydrophobicContact CG-CE1 4.3Å; D361-Y365 WeakPolarHBondContact O-CD2 3.34Å; D361-Y365 WeakPolarHBondContact O-CE2 3.29Å; Y362-Y365 PolarHBondContact O-N 2.93Å; Y365-V370 VanDerWaalsContact O-CG2 3.3Å; Y365-V370 WeakPolarHBondContact O-CG2 3.39Å; Y365-S400 WeakPolarHBondContact CE1-O 3.4Å; Y365-S400 PolarHBondContact OH-O 3.39Å; Y365-M402 HydrophobicContact CD1-CB 4.23Å; Y365-P403 HydrophobicContact CD2-CG 4.11Å; Y365-P403 VanDerWaalsContact CG-CD 3.49Å; Y365-P403 HydrophobicContact CG-CG 4.38Å
366F96.2Very high94.9Very high7 Ų743.8 Ų43.83%0.03126%0.259CS..SBendtrans-131.6142.6-178.3-58.6-82.9000110.7L23 Y26 D29 F30 Y362 Q369 P403L23-F366 HydrophobicContact CD2-CE2 3.71Å; L23-F366 HydrophobicContact CD2-CZ 3.6Å; Y26-F366 HydrophobicContact CD1-CB 3.31Å; Y26-F366 HydrophobicContact CD1-CD1 4.46Å; Y26-F366 AromaticContact CD1-CD2 3.86Å; Y26-F366 HydrophobicContact CD1-CD2 3.86Å; Y26-F366 AromaticContact CD1-CG 3.65Å; Y26-F366 HydrophobicContact CD1-CG 3.65Å; Y26-F366 AromaticContact CD2-CD2 3.73Å; Y26-F366 HydrophobicContact CD2-CD2 3.73Å; Y26-F366 HydrophobicContact CD2-CE2 4.12Å; Y26-F366 HydrophobicContact CD2-CG 4.25Å; Y26-F366 HydrophobicContact CE1-CB 3.69Å; Y26-F366 HydrophobicContact CE1-CD2 4.16Å; Y26-F366 HydrophobicContact CE1-CG 4.22Å; Y26-F366 HydrophobicContact CE2-CD2 4.07Å; Y26-F366 HydrophobicContact CG-CB 3.87Å; Y26-F366 HydrophobicContact CG-CD1 4.22Å; Y26-F366 AromaticContact CG-CD2 3.61Å; Y26-F366 HydrophobicContact CG-CD2 3.61Å; Y26-F366 HydrophobicContact CG-CE2 4.27Å; Y26-F366 AromaticContact CG-CG 3.64Å; Y26-F366 HydrophobicContact CG-CG 3.64Å; D29-F366 HydrophobicContact CB-CD1 4.38Å; F30-F366 HydrophobicContact CD2-CE1 4.31Å; F30-F366 HydrophobicContact CE1-CE1 4.26Å; F30-F366 HydrophobicContact CE2-CD1 4.47Å; F30-F366 AromaticContact CE2-CE1 3.5Å; F30-F366 HydrophobicContact CE2-CE1 3.5Å; F30-F366 AromaticContact CE2-CZ 3.67Å; F30-F366 HydrophobicContact CE2-CZ 3.67Å; F30-F366 AromaticContact CZ-CE1 3.49Å; F30-F366 HydrophobicContact CZ-CE1 3.49Å; F30-F366 VanDerWaalsContact CZ-CE1 3.49Å; F30-F366 AromaticContact CZ-CZ 3.54Å; F30-F366 HydrophobicContact CZ-CZ 3.54Å; Y362-F366 HydrophobicContact CD2-CE2 4.11Å; Y362-F366 VanDerWaalsContact O-CD2 3.27Å; Y362-F366 WeakPolarHBondContact O-CD2 3.38Å; Y362-F366 PolarHBondContact O-N 3.24Å; F366-Q369 PolarHBondContact O-NE2 3.49Å; F366-P403 HydrophobicContact CE2-CG 4.35Å; F366-P403 HydrophobicContact CZ-CB 4.48Å
367G93.4Very high95.3Very high26 Ų2641 Ų4127%0.26824%0.242SC..SBendtrans130.3-169.4-178.200000112.6Q369 V370G367-Q369 VanDerWaalsContact CA-OE1 3.26Å; G367-Q369 PolarHBondContact O-N 3.33Å; G367-V370 WeakPolarHBondContact O-CB 3.44Å; G367-V370 PolarHBondContact O-N 2.85Å
368L94Very high95.8Very high168 Ų16838.3 Ų38.388%0.8821%0.214SC*.THydrogen-bonded Turntrans-68.5-14.9-175-62.5177.7000114.1V370L368-V370 PolarHBondContact O-N 3.45Å
369Q94.8Very high96Very high52 Ų5236.2 Ų36.224%0.24320%0.204CC..THydrogen-bonded Turntrans-73.9-17177.373.2-80.113.300113.1Y349 H350 N363 E364 F366 G367Y349-Q369 CarbonylContact C-O 3.25Å; Y349-Q369 WeakPolarHBondContact CA-O 3.36Å; Y349-Q369 HydrophobicContact CD1-CG 4.21Å; H350-Q369 PolarHBondContact N-O 3.34Å; N363-Q369 PolarHBondContact O-NE2 2.99Å; E364-Q369 PolarHBondContact O-NE2 2.85Å; F366-Q369 PolarHBondContact O-NE2 3.49Å; G367-Q369 VanDerWaalsContact CA-OE1 3.26Å; G367-Q369 PolarHBondContact O-N 3.33Å
370V97.6Very high96.3Very high3 Ų331.8 Ų31.82%0.01817%0.173CC..BIsolated β-bridgetrans-81.5129.7-177.3-177.40000109.7L348 Y349 Y365 G367 L368 E372 L375L348-V370 CarbonylContact O-C 3.58Å; L348-V370 VanDerWaalsContact O-CA 3.3Å; L348-V370 WeakPolarHBondContact O-CA 3.28Å; L348-V370 WeakPolarHBondContact O-CG1 3.38Å; Y349-V370 HydrophobicContact CD1-CG2 4.17Å; Y349-V370 HydrophobicContact CE1-CG2 3.99Å; Y365-V370 VanDerWaalsContact O-CG2 3.3Å; Y365-V370 WeakPolarHBondContact O-CG2 3.39Å; G367-V370 WeakPolarHBondContact O-CB 3.44Å; G367-V370 PolarHBondContact O-N 2.85Å; L368-V370 PolarHBondContact O-N 3.45Å; V370-E372 PolarHBondContact O-N 3.36Å; V370-L375 HydrophobicContact CG1-CD1 3.22Å; V370-L375 HydrophobicContact CG1-CG 4.04Å
371D97.9Very high96.6Very high13 Ų1330.1 Ų30.17%0.0716%0.156CC..  trans-81.4107.3174.6-166.7-44.2000109.9R301 M347 L348 H350 E373 S374 L375R301-D371 IonicContact NH2-OD1 3.17Å; R301-D371 IonicContact NH2-OD2 2.65Å; R301-D371 PolarHBondContact NH2-OD2 3.08Å; M347-D371 WeakPolarHBondContact O-CB 3.19Å; L348-D371 PolarHBondContact O-N 3.11Å; H350-D371 IonicContact CE1-OD2 3.43Å; H350-D371 PolarHBondContact CE1-OD2 3.41Å; H350-D371 IonicContact ND1-OD2 3.09Å; H350-D371 PolarHBondContact ND1-OD2 3.38Å; H350-D371 VanDerWaalsContact ND1-OD2 3.12Å; D371-E373 WeakPolarHBondContact OD1-CB 3.41Å; D371-E373 PolarHBondContact OD1-N 2.9Å; D371-E373 VanDerWaalsContact OD1-N 3.07Å; D371-S374 PolarHBondContact O-OG 3.39Å; D371-S374 PolarHBondContact OD1-N 3.04Å; D371-L375 WeakPolarHBondContact O-CG 3.38Å; D371-L375 PolarHBondContact O-N 3.39Å; D371-L375 VanDerWaalsContact O-N 3.15Å
372E96.7Very high96.9Very high42 Ų4226.4 Ų26.420%0.19614%0.136CC..Hα-helixtrans-84.3-21.6-173.8-52.2-157.8119.900113.5R32 R33 M36 V370 V376R32-E372 IonicContact CZ-OE1 2.65Å; R32-E372 IonicContact CZ-OE2 3.61Å; R32-E372 VanDerWaalsContact CZ-OE2 3.3Å; R32-E372 IonicContact NH1-OE1 3.98Å; R32-E372 PolarHBondContact NH1-OE1 2.87Å; R32-E372 IonicContact NH1-OE2 3.19Å; R32-E372 PolarHBondContact NH1-OE2 3.26Å; R32-E372 IonicContact NH2-OE1 3.3Å; R32-E372 PolarHBondContact NH2-OE1 3.41Å; R32-E372 IonicContact NH2-OE2 2.56Å; R33-E372 IonicContact NE-OE1 2.91Å; R33-E372 PolarHBondContact NE-OE1 2.81Å; R33-E372 IonicContact NH2-OE1 3.29Å; M36-E372 HydrophobicContact CE-CB 4.12Å; M36-E372 HydrophobicContact SD-CB 4.45Å; V370-E372 PolarHBondContact O-N 3.36Å; E372-V376 WeakPolarHBondContact O-CB 3.39Å; E372-V376 VanDerWaalsContact O-CG2 3.24Å; E372-V376 WeakPolarHBondContact O-CG2 3.39Å; E372-V376 PolarHBondContact O-N 3.04Å
373E97.4Very high97Very high61 Ų6127 Ų2729%0.28514%0.14SC..Hα-helixtrans-67.6-44.7174.4-59.2172.3176.700108.8H297 R301 A315 D371 Y377H297-E373 IonicContact CE1-OE2 3.43Å; H297-E373 PolarHBondContact CE1-OE2 2.94Å; H297-E373 IonicContact NE2-OE2 3.39Å; H297-E373 PolarHBondContact NE2-OE2 3.03Å; R301-E373 IonicContact CZ-OE2 2.76Å; R301-E373 IonicContact NH1-OE1 3.78Å; R301-E373 IonicContact NH1-OE2 3.22Å; R301-E373 PolarHBondContact NH1-OE2 3.49Å; R301-E373 IonicContact NH2-OE1 3.77Å; R301-E373 IonicContact NH2-OE2 2.81Å; R301-E373 PolarHBondContact NH2-OE2 3.48Å; A315-E373 HydrophobicContact CB-CB 4.35Å; A315-E373 HydrophobicContact CB-CG 3.96Å; D371-E373 WeakPolarHBondContact OD1-CB 3.41Å; D371-E373 PolarHBondContact OD1-N 2.9Å; D371-E373 VanDerWaalsContact OD1-N 3.07Å; E373-Y377 PolarHBondContact O-N 3.25Å; E373-Y377 VanDerWaalsContact O-N 3.12Å
374S98Very high97.1Very high0 Ų024.3 Ų24.30%013%0.126CC..Hα-helixtrans-66.7-4217583.90000111.8M347 D371 V376 Y377 L378M347-S374 WeakPolarHBondContact O-CB 3.24Å; M347-S374 PolarHBondContact O-OG 3.21Å; D371-S374 PolarHBondContact O-OG 3.39Å; D371-S374 PolarHBondContact OD1-N 3.04Å; S374-V376 PolarHBondContact O-N 3.35Å; S374-Y377 WeakPolarHBondContact O-CB 3.22Å; S374-Y377 PolarHBondContact O-N 2.98Å; S374-L378 WeakPolarHBondContact O-CG 2.82Å; S374-L378 PolarHBondContact O-N 3.44Å
375L97.4Very high97.3Very high0 Ų022 Ų220%012%0.115CC..Hα-helixtrans-58.3-47176.9-82.8178.8000112.1L348 V370 D371 Y377 L378 M379 M402 L414L348-L375 HydrophobicContact CD2-CD2 3.34Å; L348-L375 HydrophobicContact CD2-CG 4.25Å; V370-L375 HydrophobicContact CG1-CD1 3.22Å; V370-L375 HydrophobicContact CG1-CG 4.04Å; D371-L375 WeakPolarHBondContact O-CG 3.38Å; D371-L375 PolarHBondContact O-N 3.39Å; D371-L375 VanDerWaalsContact O-N 3.15Å; L375-Y377 VanDerWaalsContact C-N 3.3Å; L375-Y377 PolarHBondContact O-N 2.66Å; L375-L378 PolarHBondContact O-N 2.86Å; L375-L378 VanDerWaalsContact O-N 3.15Å; L375-M379 WeakPolarHBondContact O-CG 3.49Å; L375-M379 PolarHBondContact O-N 3.12Å; L375-M402 HydrophobicContact CD2-CE 4.08Å; L375-M402 HydrophobicContact CD2-SD 4.34Å; L375-L414 HydrophobicContact CD2-CD1 3.42Å; L375-L414 VanDerWaalsContact CD2-CD1 3.42Å; L375-L414 HydrophobicContact CD2-CD2 3.56Å; L375-L414 HydrophobicContact CD2-CG 4.15Å
376V97.4Very high97.3Very high13 Ų1323.8 Ų23.88%0.07912%0.124CC..Hα-helixtrans-63.9-39.6178.9169.80000110.4M36 Q40 E372 S374 L378 M379 L380M36-V376 HydrophobicContact CB-CG2 3.59Å; M36-V376 HydrophobicContact CE-CG2 3.96Å; M36-V376 HydrophobicContact SD-CG2 4.24Å; Q40-V376 HydrophobicContact CB-CG1 4.42Å; E372-V376 WeakPolarHBondContact O-CB 3.39Å; E372-V376 VanDerWaalsContact O-CG2 3.24Å; E372-V376 WeakPolarHBondContact O-CG2 3.39Å; E372-V376 PolarHBondContact O-N 3.04Å; S374-V376 PolarHBondContact O-N 3.35Å; V376-L378 PolarHBondContact O-N 3.46Å; V376-M379 PolarHBondContact O-N 3.2Å; V376-L380 WeakPolarHBondContact O-CB 3.47Å; V376-L380 PolarHBondContact O-N 2.98Å
377Y98.8Very high97.3Very high0 Ų026.9 Ų26.90%015%0.147CC..Hα-helixtrans-58.9-43.9172160.9-100.1000112.2H274 Y314 L320 L323 L324 M347 E373 S374 L375 L380 S381H274-Y377 HydrophobicContact CB-CE1 4.38Å; H274-Y377 AromaticContact ND1-CZ 3.85Å; H274-Y377 PolarHBondContact ND1-OH 3.39Å; Y314-Y377 AromaticContact CD1-CD1 3.83Å; Y314-Y377 HydrophobicContact CD1-CD1 3.83Å; Y314-Y377 AromaticContact CD1-CG 3.92Å; Y314-Y377 HydrophobicContact CD1-CG 3.92Å; Y314-Y377 HydrophobicContact CE1-CD1 4.05Å; Y314-Y377 HydrophobicContact CE1-CE1 4.4Å; L320-Y377 HydrophobicContact CD2-CD2 3.87Å; L320-Y377 HydrophobicContact CD2-CG 4.43Å; L323-Y377 HydrophobicContact CB-CD2 4.49Å; L323-Y377 HydrophobicContact CB-CE2 3.59Å; L323-Y377 HydrophobicContact CD1-CD2 4.41Å; L323-Y377 HydrophobicContact CD1-CE2 4.01Å; L323-Y377 HydrophobicContact CG-CE2 4.47Å; L324-Y377 HydrophobicContact CD2-CD2 4.48Å; L324-Y377 HydrophobicContact CD2-CE2 4.1Å; L324-Y377 HydrophobicContact CG-CE2 4.33Å; M347-Y377 HydrophobicContact CE-CD1 3.73Å; M347-Y377 HydrophobicContact CE-CE1 3.77Å; E373-Y377 PolarHBondContact O-N 3.25Å; E373-Y377 VanDerWaalsContact O-N 3.12Å; S374-Y377 WeakPolarHBondContact O-CB 3.22Å; S374-Y377 PolarHBondContact O-N 2.98Å; L375-Y377 VanDerWaalsContact C-N 3.3Å; L375-Y377 PolarHBondContact O-N 2.66Å; Y377-L380 PolarHBondContact O-N 3.44Å; Y377-S381 WeakPolarHBondContact CE2-OG 3.48Å; Y377-S381 VanDerWaalsContact CZ-OG 3.3Å; Y377-S381 VanDerWaalsContact O-CB 3.3Å; Y377-S381 WeakPolarHBondContact O-CB 3.25Å; Y377-S381 PolarHBondContact O-N 3.32Å; Y377-S381 PolarHBondContact O-OG 3.1Å; Y377-S381 PolarHBondContact OH-OG 3.21Å
378L98.8Very high97.5Very high0 Ų028 Ų280%015%0.146CC..Hα-helixtrans-66.2-44.7178-66.6175.5000112.2F341 I344 M347 L348 S374 L375 V376 L380 S381 N382 F416F341-L378 HydrophobicContact CD1-CD2 4.08Å; F341-L378 HydrophobicContact CE1-CD2 4.43Å; I344-L378 HydrophobicContact CD1-CD1 3.92Å; I344-L378 HydrophobicContact CD1-CD2 3.7Å; I344-L378 HydrophobicContact CD1-CG 4.48Å; I344-L378 HydrophobicContact CG2-CD1 4.42Å; M347-L378 HydrophobicContact CE-CD1 4.33Å; M347-L378 HydrophobicContact CE-CD2 3.67Å; M347-L378 HydrophobicContact CE-CG 4Å; M347-L378 HydrophobicContact SD-CD2 4.16Å; L348-L378 HydrophobicContact CD2-CD1 4.16Å; S374-L378 WeakPolarHBondContact O-CG 2.82Å; S374-L378 PolarHBondContact O-N 3.44Å; L375-L378 PolarHBondContact O-N 2.86Å; L375-L378 VanDerWaalsContact O-N 3.15Å; V376-L378 PolarHBondContact O-N 3.46Å; L378-L380 VanDerWaalsContact C-N 3.34Å; L378-L380 PolarHBondContact O-N 2.81Å; L378-S381 PolarHBondContact O-N 3.32Å; L378-N382 PolarHBondContact O-N 3.07Å; L378-N382 PolarHBondContact O-ND2 3.35Å; L378-F416 HydrophobicContact CB-CE2 4.39Å; L378-F416 HydrophobicContact CD1-CE2 4.46Å; L378-F416 HydrophobicContact CD2-CE2 4.45Å; L378-F416 HydrophobicContact CD2-CZ 4.08Å
379M98.5Very high97.7Very high4 Ų421.9 Ų21.92%0.0211%0.112CC..Hα-helixtrans-59.4-46.4175-71174.86900111.1R33 L37 L375 V376 N382 H383 V409 L414R33-M379 HydrophobicContact CB-SD 4.39Å; L37-M379 HydrophobicContact CB-CE 4.11Å; L37-M379 HydrophobicContact CD1-CB 4.17Å; L37-M379 HydrophobicContact CD2-CB 4.24Å; L37-M379 HydrophobicContact CD2-CE 3.84Å; L375-M379 WeakPolarHBondContact O-CG 3.49Å; L375-M379 PolarHBondContact O-N 3.12Å; V376-M379 PolarHBondContact O-N 3.2Å; M379-N382 PolarHBondContact O-N 2.69Å; M379-H383 VanDerWaalsContact O-CB 3.25Å; M379-H383 WeakPolarHBondContact O-CB 3.24Å; M379-H383 PolarHBondContact O-N 3.16Å; M379-V409 HydrophobicContact CE-CG1 4.31Å; M379-L414 HydrophobicContact CG-CD2 3.49Å; M379-L414 VanDerWaalsContact CG-CD2 3.49Å; M379-L414 HydrophobicContact SD-CD2 3.89Å
380L98.3Very high97.8Very high0 Ų024 Ų240%013%0.13CC..Hα-helixtrans-64.2-42.2178.8-177.660.5000111.4L37 Q40 V41 L44 L324 V376 Y377 L378 H383 I384L37-L380 HydrophobicContact CD1-CB 3.79Å; L37-L380 HydrophobicContact CD1-CD1 3.96Å; L37-L380 HydrophobicContact CD1-CG 4.49Å; Q40-L380 HydrophobicContact CG-CD2 3.74Å; V41-L380 HydrophobicContact CG2-CD1 3.7Å; L44-L380 HydrophobicContact CD1-CD1 4.18Å; L44-L380 HydrophobicContact CD1-CD2 3.98Å; L324-L380 HydrophobicContact CD1-CD2 3.65Å; L324-L380 HydrophobicContact CD1-CG 4Å; V376-L380 WeakPolarHBondContact O-CB 3.47Å; V376-L380 PolarHBondContact O-N 2.98Å; Y377-L380 PolarHBondContact O-N 3.44Å; L378-L380 VanDerWaalsContact C-N 3.34Å; L378-L380 PolarHBondContact O-N 2.81Å; L380-H383 PolarHBondContact O-N 3.35Å; L380-I384 HydrophobicContact CD1-CD1 3.71Å; L380-I384 HydrophobicContact CD1-CG1 4.12Å; L380-I384 HydrophobicContact CG-CD1 3.82Å; L380-I384 WeakPolarHBondContact O-CB 3.45Å; L380-I384 VanDerWaalsContact O-CG1 3.24Å; L380-I384 WeakPolarHBondContact O-CG1 3.12Å; L380-I384 PolarHBondContact O-N 2.99Å
381S98.7Very high97.8Very high0 Ų028.5 Ų28.50%015%0.154CC..Hα-helixtrans-58.4-51.8175.8-630000111.2L324 Y377 L378 I384 L385L324-S381 WeakPolarHBondContact CD2-OG 3.45Å; Y377-S381 WeakPolarHBondContact CE2-OG 3.48Å; Y377-S381 VanDerWaalsContact CZ-OG 3.3Å; Y377-S381 VanDerWaalsContact O-CB 3.3Å; Y377-S381 WeakPolarHBondContact O-CB 3.25Å; Y377-S381 PolarHBondContact O-N 3.32Å; Y377-S381 PolarHBondContact O-OG 3.1Å; Y377-S381 PolarHBondContact OH-OG 3.21Å; L378-S381 PolarHBondContact O-N 3.32Å; S381-I384 PolarHBondContact O-N 2.93Å; S381-L385 WeakPolarHBondContact O-CB 3.46Å; S381-L385 VanDerWaalsContact O-CG 3.25Å; S381-L385 WeakPolarHBondContact O-CG 3.46Å; S381-L385 PolarHBondContact O-N 2.65Å
382N98.8Very high97.8Very high1 Ų128 Ų281%0.00515%0.152CC..Hα-helixtrans-66.7-40179.3-79.5-53000112.4L378 M379 L385 H386 T394 L414 G415 F416L378-N382 PolarHBondContact O-N 3.07Å; L378-N382 PolarHBondContact O-ND2 3.35Å; M379-N382 PolarHBondContact O-N 2.69Å; N382-L385 PolarHBondContact O-N 3.23Å; N382-H386 WeakPolarHBondContact O-CB 3.41Å; N382-H386 PolarHBondContact O-N 3.11Å; N382-H386 PolarHBondContact O-ND1 3.03Å; N382-T394 VanDerWaalsContact OD1-CB 3.3Å; N382-T394 WeakPolarHBondContact OD1-CB 3.31Å; N382-T394 WeakPolarHBondContact OD1-CG2 3.32Å; N382-T394 PolarHBondContact OD1-OG1 3.1Å; N382-L414 WeakPolarHBondContact CB-O 3.24Å; N382-L414 PolarHBondContact ND2-O 3.14Å; N382-G415 VanDerWaalsContact CG-C 3.44Å; N382-G415 PolarHBondContact OD1-O 3.33Å; N382-F416 WeakPolarHBondContact ND2-CD2 3.45Å; N382-F416 WeakPolarHBondContact ND2-CE2 3.15Å
383H97.5Very high97.9Very high49 Ų4926.1 Ų26.123%0.22714%0.143CC..Hα-helixtrans-59.2-48.4175.9175.772.3000111.2M379 L380 S387 V409 E410M379-H383 VanDerWaalsContact O-CB 3.25Å; M379-H383 WeakPolarHBondContact O-CB 3.24Å; M379-H383 PolarHBondContact O-N 3.16Å; L380-H383 PolarHBondContact O-N 3.35Å; H383-S387 WeakPolarHBondContact O-CB 3.31Å; H383-S387 PolarHBondContact O-N 2.88Å; H383-S387 PolarHBondContact O-OG 3.17Å; H383-V409 HydrophobicContact CB-CG2 4.43Å; H383-E410 IonicContact ND1-OE1 3.56Å
384I97.3Very high98Very high7 Ų723.2 Ų23.24%0.03613%0.129CC..Hα-helixtrans-65.4-47.6179.4-70.8172.3000111.1V51 T55 L324 L380 S381 H386 S387 L388V51-I384 HydrophobicContact CB-CD1 3.84Å; V51-I384 HydrophobicContact CB-CG1 3.84Å; V51-I384 HydrophobicContact CG1-CD1 3.8Å; V51-I384 HydrophobicContact CG1-CG1 3.88Å; V51-I384 HydrophobicContact CG2-CG1 4.25Å; T55-I384 HydrophobicContact CG2-CD1 4.19Å; T55-I384 HydrophobicContact CG2-CG2 3.92Å; L324-I384 HydrophobicContact CD1-CD1 3.98Å; L324-I384 HydrophobicContact CD2-CD1 4.19Å; L380-I384 HydrophobicContact CD1-CD1 3.71Å; L380-I384 HydrophobicContact CD1-CG1 4.12Å; L380-I384 HydrophobicContact CG-CD1 3.82Å; L380-I384 WeakPolarHBondContact O-CB 3.45Å; L380-I384 VanDerWaalsContact O-CG1 3.24Å; L380-I384 WeakPolarHBondContact O-CG1 3.12Å; L380-I384 PolarHBondContact O-N 2.99Å; S381-I384 PolarHBondContact O-N 2.93Å; I384-H386 PolarHBondContact O-N 3.15Å; I384-S387 PolarHBondContact O-N 3.32Å; I384-L388 HydrophobicContact CG2-CD1 3.57Å; I384-L388 HydrophobicContact CG2-CG 4.36Å; I384-L388 WeakPolarHBondContact O-CB 3.26Å; I384-L388 WeakPolarHBondContact O-CG 3.33Å; I384-L388 PolarHBondContact O-N 2.87Å
385L98.4Very high98Very high4 Ų423.2 Ų23.22%0.02113%0.129CC..Hα-helixtrans-59.7-48-178.5-77.1173.9000111.9L327 M331 F339 F341 S381 N382 S387 L388 Y389 T394L327-L385 HydrophobicContact CB-CD2 4.33Å; L327-L385 HydrophobicContact CD1-CD1 4.19Å; M331-L385 HydrophobicContact CG-CD2 4.03Å; F339-L385 HydrophobicContact CD2-CD1 3.72Å; F339-L385 HydrophobicContact CD2-CD2 4.39Å; F339-L385 HydrophobicContact CE2-CD1 3.9Å; F339-L385 HydrophobicContact CE2-CD2 3.72Å; F339-L385 HydrophobicContact CE2-CG 4.49Å; F341-L385 HydrophobicContact CE2-CD1 4.44Å; F341-L385 HydrophobicContact CZ-CD1 4.33Å; S381-L385 WeakPolarHBondContact O-CB 3.46Å; S381-L385 VanDerWaalsContact O-CG 3.25Å; S381-L385 WeakPolarHBondContact O-CG 3.46Å; S381-L385 PolarHBondContact O-N 2.65Å; N382-L385 PolarHBondContact O-N 3.23Å; L385-S387 VanDerWaalsContact C-N 3.35Å; L385-L388 PolarHBondContact O-N 3.24Å; L385-Y389 HydrophobicContact CD2-CD2 4.25Å; L385-Y389 CarbonylContact O-C 3.58Å; L385-Y389 WeakPolarHBondContact O-CA 3.44Å; L385-Y389 WeakPolarHBondContact O-CB 3.38Å; L385-Y389 PolarHBondContact O-N 2.73Å; L385-T394 HydrophobicContact CD1-CG2 3.83Å
386H98.2Very high98.1Very high49 Ų4923.2 Ų23.223%0.22713%0.129CC..Hα-helixtrans-73.9-25.8-179.9-66.999000113.1N382 I384 P390 G415 D417N382-H386 WeakPolarHBondContact O-CB 3.41Å; N382-H386 PolarHBondContact O-N 3.11Å; N382-H386 PolarHBondContact O-ND1 3.03Å; I384-H386 PolarHBondContact O-N 3.15Å; H386-P390 WeakPolarHBondContact O-CA 3.49Å; H386-G415 PolarHBondContact CE1-O 3.07Å; H386-G415 VanDerWaalsContact CE1-O 3.27Å; H386-D417 IonicContact NE2-OD2 2.64Å
387S96.4Very high98.2Very high72 Ų7223.6 Ų23.650%0.50313%0.13SC..Hα-helixtrans-70.9-40.7174.1-63.10000112.2H383 I384 L385H383-S387 WeakPolarHBondContact O-CB 3.31Å; H383-S387 PolarHBondContact O-N 2.88Å; H383-S387 PolarHBondContact O-OG 3.17Å; I384-S387 PolarHBondContact O-N 3.32Å; L385-S387 VanDerWaalsContact C-N 3.35Å
388L96.9Very high98.1Very high50 Ų5023.6 Ų23.626%0.26213%0.13SC..Hα-helixtrans-84.7-33.5-179.5-64.9171.8000112.6D52 I384 L385D52-L388 HydrophobicContact CB-CD2 4.36Å; I384-L388 HydrophobicContact CG2-CD1 3.57Å; I384-L388 HydrophobicContact CG2-CG 4.36Å; I384-L388 WeakPolarHBondContact O-CB 3.26Å; I384-L388 WeakPolarHBondContact O-CG 3.33Å; I384-L388 PolarHBondContact O-N 2.87Å; L385-L388 PolarHBondContact O-N 3.24Å
389Y97.7Very high98Very high40 Ų4027.8 Ų27.816%0.15716%0.156CC..  trans-133.882.9-174.3-49.8-71.5000109.7R328 M331 E332 L385 D391 C392R328-Y389 VanDerWaalsContact CD-OH 3.24Å; R328-Y389 WeakPolarHBondContact CD-OH 3.35Å; R328-Y389 PolarHBondContact NE-OH 3.08Å; M331-Y389 HydrophobicContact CB-CD2 4.36Å; M331-Y389 HydrophobicContact CB-CE1 4.39Å; M331-Y389 HydrophobicContact CB-CE2 3.66Å; M331-Y389 HydrophobicContact CE-CD1 3.97Å; M331-Y389 HydrophobicContact CE-CD2 3.62Å; M331-Y389 HydrophobicContact CE-CE1 4.43Å; M331-Y389 HydrophobicContact CE-CE2 4.12Å; M331-Y389 HydrophobicContact CE-CG 3.52Å; M331-Y389 HydrophobicContact CG-CD2 4Å; M331-Y389 HydrophobicContact CG-CE2 3.67Å; E332-Y389 WeakPolarHBondContact CG-OH 3.25Å; L385-Y389 HydrophobicContact CD2-CD2 4.25Å; L385-Y389 CarbonylContact O-C 3.58Å; L385-Y389 WeakPolarHBondContact O-CA 3.44Å; L385-Y389 WeakPolarHBondContact O-CB 3.38Å; L385-Y389 PolarHBondContact O-N 2.73Å; Y389-D391 PolarHBondContact O-N 3.33Å; Y389-D391 VanDerWaalsContact O-N 3.1Å; Y389-C392 WeakPolarHBondContact O-CB 3.39Å; Y389-C392 PolarHBondContact O-N 3.42Å
390P96.9Very high97.9Very high95 Ų9527.9 Ų27.962%0.61716%0.156SC*.THydrogen-bonded Turntrans-59.6-27.8-173.8-27.536.2000114.8H386 C392H386-P390 WeakPolarHBondContact O-CA 3.49Å; P390-C392 VanDerWaalsContact C-N 3.34Å
391D97.8Very high97.8Very high98 Ų9828.5 Ų28.552%0.52416%0.163SC..THydrogen-bonded Turntrans-88.91.3178.2-81.2-6.1000113.4K178 Y389K178-D391 HydrophobicContact CB-CB 4.04Å; Y389-D391 PolarHBondContact O-N 3.33Å; Y389-D391 VanDerWaalsContact O-N 3.1Å
392C98.3Very high97.7Very high4 Ų428.6 Ų28.63%0.02716%0.163CC..  trans-55.3148.8174.7-172.50000110.9K178 M331 D337 Y389 P390K178-C392 PolarHBondContact NZ-O 3.4Å; M331-C392 HydrophobicContact CE-CB 4.48Å; D337-C392 WeakPolarHBondContact O-CA 3.45Å; Y389-C392 WeakPolarHBondContact O-CB 3.39Å; Y389-C392 PolarHBondContact O-N 3.42Å; P390-C392 VanDerWaalsContact C-N 3.34Å
393I98.9Very high97.7Very high1 Ų128.6 Ų28.61%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-121.1122.4175.2-65155.2000108.3K178 L182 V267 L269 D337 G338 F339 I395 D417 Y418K178-I393 HydrophobicContact CD-CG1 4.29Å; K178-I393 HydrophobicContact CG-CD1 4.29Å; K178-I393 HydrophobicContact CG-CG1 4.23Å; L182-I393 HydrophobicContact CD1-CD1 4.32Å; L182-I393 HydrophobicContact CD1-CG2 3.76Å; L182-I393 HydrophobicContact CD2-CD1 3.81Å; V267-I393 HydrophobicContact CG2-CD1 4.29Å; L269-I393 HydrophobicContact CD1-CG2 4Å; L269-I393 HydrophobicContact CD2-CB 3.94Å; L269-I393 HydrophobicContact CD2-CD1 4.34Å; L269-I393 HydrophobicContact CD2-CG2 4.29Å; D337-I393 PolarHBondContact O-N 3.47Å; G338-I393 CarbonylContact C-O 3.4Å; G338-I393 WeakPolarHBondContact CA-O 3.47Å; F339-I393 PolarHBondContact N-O 3.31Å; I393-I395 HydrophobicContact CG2-CD1 4.49Å; I393-I395 HydrophobicContact CG2-CG1 4.12Å; I393-D417 WeakPolarHBondContact CA-OD2 3.42Å; I393-Y418 HydrophobicContact CG2-CD2 4.16Å; I393-Y418 HydrophobicContact CG2-CE2 4.2Å
394T98.9Very high97.7Very high0 Ų026.3 Ų26.30%015%0.153CC..EExtended strand (participates in β ladder)trans-116.7129.817260.40000111.7F339 F341 N382 L385 F416 D417 Y418F339-T394 CarbonylContact O-C 3.58Å; F339-T394 VanDerWaalsContact O-CA 3.3Å; F339-T394 WeakPolarHBondContact O-CA 3.18Å; F341-T394 HydrophobicContact CE2-CG2 4.22Å; N382-T394 VanDerWaalsContact OD1-CB 3.3Å; N382-T394 WeakPolarHBondContact OD1-CB 3.31Å; N382-T394 WeakPolarHBondContact OD1-CG2 3.32Å; N382-T394 PolarHBondContact OD1-OG1 3.1Å; L385-T394 HydrophobicContact CD1-CG2 3.83Å; T394-F416 WeakPolarHBondContact OG1-CA 3.45Å; T394-D417 WeakPolarHBondContact O-CA 3.32Å; T394-D417 WeakPolarHBondContact O-CB 3.44Å; T394-D417 PolarHBondContact O-N 2.99Å; T394-D417 PolarHBondContact OG1-N 3.3Å; T394-Y418 PolarHBondContact O-N 3.07Å; T394-Y418 VanDerWaalsContact O-N 3.13Å
395I98.9Very high97.7Very high1 Ų126 Ų261%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-116130.7-179.3-51.1-179.4000108.4I184 L269 F339 R340 F341 I393 Y418 L420 I459I184-I395 HydrophobicContact CD1-CD1 3.64Å; L269-I395 HydrophobicContact CD1-CD1 3.61Å; L269-I395 HydrophobicContact CD1-CG1 4.31Å; F339-I395 PolarHBondContact O-N 2.83Å; R340-I395 CarbonylContact C-O 3.57Å; R340-I395 VanDerWaalsContact CA-O 3.3Å; R340-I395 WeakPolarHBondContact CA-O 3.37Å; R340-I395 HydrophobicContact CB-CB 4.23Å; R340-I395 HydrophobicContact CG-CB 4.2Å; R340-I395 HydrophobicContact CG-CG2 4.3Å; F341-I395 PolarHBondContact N-O 2.96Å; I393-I395 HydrophobicContact CG2-CD1 4.49Å; I393-I395 HydrophobicContact CG2-CG1 4.12Å; I395-Y418 CarbonylContact C-O 3.59Å; I395-Y418 VanDerWaalsContact CA-O 3.3Å; I395-Y418 WeakPolarHBondContact CA-O 3.3Å; I395-Y418 HydrophobicContact CG1-CD2 4.47Å; I395-L420 HydrophobicContact CG2-CD2 3.89Å; I395-L420 HydrophobicContact CG2-CG 4.19Å; I395-I459 HydrophobicContact CD1-CG1 4.3Å
396A98.9Very high97.7Very high0 Ų026.3 Ų26.30%015%0.154CC..EExtended strand (participates in β ladder)trans-96.5126.3172.500000111.2I344 D398 L405 F416 Y418 R419 L420I344-A396 HydrophobicContact CG1-CB 4.01Å; I344-A396 HydrophobicContact CG2-CB 4.49Å; A396-D398 PolarHBondContact O-N 2.92Å; A396-L405 HydrophobicContact CB-CD1 4.12Å; A396-L405 HydrophobicContact CB-CD2 3.79Å; A396-L405 HydrophobicContact CB-CG 4.09Å; A396-F416 HydrophobicContact CB-CB 4.34Å; A396-F416 HydrophobicContact CB-CD1 3.81Å; A396-F416 HydrophobicContact CB-CD2 3.96Å; A396-F416 HydrophobicContact CB-CE1 4.02Å; A396-F416 HydrophobicContact CB-CE2 4.16Å; A396-F416 HydrophobicContact CB-CG 3.77Å; A396-F416 HydrophobicContact CB-CZ 4.18Å; A396-Y418 PolarHBondContact N-O 3.27Å; A396-R419 VanDerWaalsContact O-CA 3.3Å; A396-R419 WeakPolarHBondContact O-CA 3.17Å; A396-L420 PolarHBondContact O-N 2.63Å; A396-L420 VanDerWaalsContact O-N 3.08Å
397E98.5Very high97.7Very high21 Ų2126.5 Ų26.510%0.09815%0.153CC..  trans-84.686.2163-176.3-175.5-103.200109.3F341 D342 G343 I344 L420 M422F341-E397 WeakPolarHBondContact O-CB 3.47Å; F341-E397 PolarHBondContact O-N 2.87Å; D342-E397 WeakPolarHBondContact CA-OE2 3.47Å; G343-E397 PolarHBondContact N-OE2 3.42Å; I344-E397 WeakPolarHBondContact CB-O 3.35Å; I344-E397 PolarHBondContact N-O 2.94Å; E397-L420 HydrophobicContact CB-CD1 4.22Å; E397-L420 HydrophobicContact CG-CD1 4.14Å; E397-M422 HydrophobicContact CG-CE 3.89Å; E397-M422 HydrophobicContact CG-SD 4Å
398D98Very high97.7Very high0 Ų028.7 Ų28.70%015%0.15CC..  trans-123.9117.3177.1173.556.2000110.6I344 T345 A396 S400 G401 M402 L405 R419I344-D398 HydrophobicContact CB-CB 4.25Å; I344-D398 HydrophobicContact CG2-CB 4.07Å; T345-D398 WeakPolarHBondContact OG1-CA 3.37Å; T345-D398 PolarHBondContact OG1-OD1 3.2Å; A396-D398 PolarHBondContact O-N 2.92Å; D398-S400 VanDerWaalsContact OD1-CB 3.31Å; D398-S400 WeakPolarHBondContact OD1-CB 3.3Å; D398-S400 PolarHBondContact OD1-N 3.38Å; D398-S400 VanDerWaalsContact OD1-N 3.11Å; D398-S400 PolarHBondContact OD1-OG 2.97Å; D398-S400 PolarHBondContact OD2-OG 3.46Å; D398-G401 PolarHBondContact OD2-N 2.88Å; D398-M402 PolarHBondContact OD2-N 2.77Å; D398-M402 VanDerWaalsContact OD2-N 3.16Å; D398-L405 HydrophobicContact CB-CD2 3.54Å; D398-R419 PolarHBondContact O-NH2 3.27Å; D398-R419 IonicContact OD2-NH2 3.67Å
399V95.4Very high97.7Very high88 Ų8826.6 Ų26.653%0.53314%0.139SC..SBendtrans-80.8-26.9173.470.60000111.4T345 G401 M422T345-V399 HydrophobicContact CG2-CG1 3.99Å; T345-V399 PolarHBondContact OG1-N 3.07Å; V399-G401 PolarHBondContact O-N 3.49Å; V399-M422 HydrophobicContact CB-SD 3.86Å; V399-M422 HydrophobicContact CG2-CB 4.45Å
400S96.9Very high97.5Very high5 Ų527.9 Ų27.94%0.03515%0.146CC..SBendtrans-60.2-46.3-168.871.40000113.2T345 F358 Y365 D398 M402T345-S400 PolarHBondContact OG1-N 2.86Å; F358-S400 WeakPolarHBondContact CB-O 3.38Å; F358-S400 WeakPolarHBondContact CG-O 3.38Å; F358-S400 VanDerWaalsContact CZ-CB 3.49Å; Y365-S400 WeakPolarHBondContact CE1-O 3.4Å; Y365-S400 PolarHBondContact OH-O 3.39Å; D398-S400 VanDerWaalsContact OD1-CB 3.31Å; D398-S400 WeakPolarHBondContact OD1-CB 3.3Å; D398-S400 PolarHBondContact OD1-N 3.38Å; D398-S400 VanDerWaalsContact OD1-N 3.11Å; D398-S400 PolarHBondContact OD1-OG 2.97Å; D398-S400 PolarHBondContact OD2-OG 3.46Å; S400-M402 PolarHBondContact OG-N 2.89Å
401G96.4Very high97.4Very high13 Ų1323.8 Ų23.813%0.13412%0.119CC..  trans118-1.8-168.900000116.1D398 V399D398-G401 PolarHBondContact OD2-N 2.88Å; V399-G401 PolarHBondContact O-N 3.49Å
402M97.8Very high97.2Very high3 Ų319.4 Ų19.42%0.01510%0.097CC..  trans-50.4120.1-157.4-178.6171.917600112.7L348 Y365 L375 D398 S400 L405 L414L348-M402 HydrophobicContact CD1-CB 3.95Å; L348-M402 HydrophobicContact CD1-CG 4.45Å; L348-M402 HydrophobicContact CD1-SD 3.69Å; L348-M402 HydrophobicContact CD2-SD 3.69Å; L348-M402 HydrophobicContact CG-SD 4.21Å; Y365-M402 HydrophobicContact CD1-CB 4.23Å; L375-M402 HydrophobicContact CD2-CE 4.08Å; L375-M402 HydrophobicContact CD2-SD 4.34Å; D398-M402 PolarHBondContact OD2-N 2.77Å; D398-M402 VanDerWaalsContact OD2-N 3.16Å; S400-M402 PolarHBondContact OG-N 2.89Å; M402-L405 HydrophobicContact CB-CB 4.43Å; M402-L405 VanDerWaalsContact O-CB 3.26Å; M402-L405 WeakPolarHBondContact O-CB 3.06Å; M402-L405 PolarHBondContact O-N 3.37Å; M402-L414 HydrophobicContact CE-CD1 4.07Å; M402-L414 HydrophobicContact SD-CD1 3.94Å
403P97.5Very high97.2Very high0 Ų019.2 Ų19.20%010%0.096CC..THydrogen-bonded Turntrans-58.9143.6175.6-25.534.7000112.4L23 Y362 Y365 F366 L405L23-P403 HydrophobicContact CD2-CB 3.86Å; L23-P403 HydrophobicContact CD2-CG 4.5Å; Y362-P403 HydrophobicContact CD2-CG 4.21Å; Y362-P403 HydrophobicContact CE2-CB 4.23Å; Y362-P403 HydrophobicContact CE2-CG 3.86Å; Y365-P403 HydrophobicContact CD2-CG 4.11Å; Y365-P403 VanDerWaalsContact CG-CD 3.49Å; Y365-P403 HydrophobicContact CG-CG 4.38Å; F366-P403 HydrophobicContact CE2-CG 4.35Å; F366-P403 HydrophobicContact CZ-CB 4.48Å; P403-L405 PolarHBondContact O-N 2.88Å
404A97.5Very high97.1Very high2 Ų219.5 Ų19.52%0.01710%0.098CC..THydrogen-bonded Turntrans65.89.1178.900000115.4L16 F30 C406 R407 G413 L414 E456L16-A404 HydrophobicContact CD1-CB 3.89Å; L16-A404 HydrophobicContact CD2-CB 3.74Å; L16-A404 HydrophobicContact CG-CB 4.48Å; F30-A404 HydrophobicContact CE1-CB 4.05Å; F30-A404 HydrophobicContact CZ-CB 4.21Å; A404-C406 PolarHBondContact O-N 3.33Å; A404-R407 HydrophobicContact CB-CB 4.37Å; A404-R407 HydrophobicContact CB-CG 4.29Å; A404-R407 PolarHBondContact O-N 3.05Å; A404-G413 CarbonylContact O-C 3.59Å; A404-G413 WeakPolarHBondContact O-CA 3.4Å; A404-L414 PolarHBondContact O-N 3.21Å; A404-L414 VanDerWaalsContact O-N 3.1Å; A404-E456 PolarHBondContact N-OE1 3.49Å; A404-E456 PolarHBondContact N-OE2 2.73Å
405L98.3Very high97.1Very high0 Ų019.9 Ų19.90%010%0.102CC..THydrogen-bonded Turntrans-56.2-42.1173.4175.864.7000111I344 A396 D398 M402 P403 L414 F416 R419 E456I344-L405 HydrophobicContact CG2-CD1 4.21Å; A396-L405 HydrophobicContact CB-CD1 4.12Å; A396-L405 HydrophobicContact CB-CD2 3.79Å; A396-L405 HydrophobicContact CB-CG 4.09Å; D398-L405 HydrophobicContact CB-CD2 3.54Å; M402-L405 HydrophobicContact CB-CB 4.43Å; M402-L405 VanDerWaalsContact O-CB 3.26Å; M402-L405 WeakPolarHBondContact O-CB 3.06Å; M402-L405 PolarHBondContact O-N 3.37Å; P403-L405 PolarHBondContact O-N 2.88Å; L405-L414 HydrophobicContact CD1-CB 4.2Å; L405-L414 HydrophobicContact CD1-CD1 3.57Å; L405-L414 HydrophobicContact CD1-CG 4.39Å; L405-F416 HydrophobicContact CD1-CD2 3.56Å; L405-F416 HydrophobicContact CD1-CE2 3.89Å; L405-F416 HydrophobicContact CG-CD2 4.24Å; L405-F416 PolarHBondContact O-N 3Å; L405-R419 HydrophobicContact CD2-CB 4.33Å; L405-E456 PolarHBondContact N-OE2 2.91Å
406C98.3Very high97.1Very high11 Ų1120 Ų207%0.07410%0.102CC..THydrogen-bonded Turntrans-104.131.2-177-58.40000113.3A404 F416 R419 E456A404-C406 PolarHBondContact O-N 3.33Å; C406-F416 CarbonylContact C-O 3.58Å; C406-F416 VanDerWaalsContact C-O 3.3Å; C406-F416 WeakPolarHBondContact CA-O 3.39Å; C406-R419 PolarHBondContact SG-N 3.48Å; C406-R419 VanDerWaalsContact SG-N 3.36Å; C406-E456 HydrophobicContact CB-CB 4.03Å; C406-E456 HydrophobicContact CB-CG 4.23Å; C406-E456 PolarHBondContact N-OE2 3.47Å
407R97.8Very high97.1Very high53 Ų5321 Ų2120%0.211%0.107CC..SBendtrans-110153.4173.3-61.2-61.1-58.9-170.3-3.7109.7L16 A404 E411 G413 G415 G455 E456L16-R407 HydrophobicContact CD1-CG 4.03Å; A404-R407 HydrophobicContact CB-CB 4.37Å; A404-R407 HydrophobicContact CB-CG 4.29Å; A404-R407 PolarHBondContact O-N 3.05Å; R407-E411 IonicContact CZ-OE2 3.39Å; R407-E411 IonicContact NE-OE2 3.02Å; R407-E411 PolarHBondContact NE-OE2 3.32Å; R407-E411 IonicContact NH2-OE1 2.69Å; R407-E411 PolarHBondContact NH2-OE1 2.63Å; R407-E411 IonicContact NH2-OE2 2.91Å; R407-E411 PolarHBondContact NH2-OE2 3.42Å; R407-G413 CarbonylContact O-C 3.4Å; R407-G413 WeakPolarHBondContact O-CA 3.45Å; R407-G415 VanDerWaalsContact O-CA 3.24Å; R407-G415 WeakPolarHBondContact O-CA 3.34Å; R407-G415 PolarHBondContact O-N 2.96Å; R407-G455 PolarHBondContact NH1-O 3.02Å; R407-E456 HydrophobicContact CG-CG 3.89Å
408R96.6Very high97.1Very high117 Ų11721 Ų2144%0.44211%0.107SC..  trans-60.9150-179-70.6-172.4-67.2151.3-0.7111.1E12 E410 E411 G412 G413E12-R408 VanDerWaalsContact CD-NH2 3.34Å; E12-R408 IonicContact OE1-CZ 3.83Å; E12-R408 IonicContact OE1-NH1 2.71Å; E12-R408 PolarHBondContact OE1-NH1 3.21Å; E12-R408 IonicContact OE1-NH2 3.01Å; E12-R408 PolarHBondContact OE1-NH2 3.5Å; E12-R408 IonicContact OE2-CZ 3.33Å; E12-R408 IonicContact OE2-NH1 2.62Å; E12-R408 IonicContact OE2-NH2 3.23Å; E12-R408 PolarHBondContact OE2-NH2 3.04Å; R408-E410 PolarHBondContact O-N 2.94Å; R408-E411 HydrophobicContact CB-CG 4.18Å; R408-E411 IonicContact CZ-OE1 2.7Å; R408-E411 IonicContact NE-OE1 3.97Å; R408-E411 PolarHBondContact NE-OE1 3.39Å; R408-E411 VanDerWaalsContact NE-OE1 3.08Å; R408-E411 IonicContact NH2-OE1 2.76Å; R408-E411 PolarHBondContact NH2-OE1 3.29Å; R408-E411 WeakPolarHBondContact O-CB 3.05Å; R408-E411 PolarHBondContact O-N 3.18Å; R408-G412 PolarHBondContact O-N 3.04Å; R408-G413 PolarHBondContact O-N 2.74Å
409V95.4Very high97.1Very high6 Ų623 Ų234%0.03611%0.114CC..G310 helixtrans-60.5-37.3178.1172.10000111.1L37 M379 H383 E411 G412L37-V409 HydrophobicContact CD2-CG1 3.19Å; M379-V409 HydrophobicContact CE-CG1 4.31Å; H383-V409 HydrophobicContact CB-CG2 4.43Å; V409-E411 PolarHBondContact O-N 2.73Å; V409-G412 PolarHBondContact O-N 3.48Å
410E94.4Very high97.3Very high67 Ų6719.3 Ų19.331%0.3139%0.092SC..G310 helixtrans-67.7-18.5178.4-58.571.6-151.300112.7I10 E12 H383 R408I10-E410 WeakPolarHBondContact CG2-O 3.34Å; E12-E410 WeakPolarHBondContact CB-O 3.29Å; E12-E410 PolarHBondContact N-O 2.99Å; H383-E410 IonicContact ND1-OE1 3.56Å; R408-E410 PolarHBondContact O-N 2.94Å
411E95.2Very high97.3Very high9 Ų920 Ų204%0.04210%0.097CC..G310 helixtrans-94.42.3173.3-61.9175.2-170.300112.6E12 F13 L16 R407 R408 V409E12-E411 HydrophobicContact CB-CB 4.49Å; E12-E411 HydrophobicContact CB-CG 3.76Å; F13-E411 WeakPolarHBondContact CD2-O 3.47Å; L16-E411 WeakPolarHBondContact CB-O 3.42Å; L16-E411 WeakPolarHBondContact CD2-O 3.25Å; R407-E411 IonicContact CZ-OE2 3.39Å; R407-E411 IonicContact NE-OE2 3.02Å; R407-E411 PolarHBondContact NE-OE2 3.32Å; R407-E411 IonicContact NH2-OE1 2.69Å; R407-E411 PolarHBondContact NH2-OE1 2.63Å; R407-E411 IonicContact NH2-OE2 2.91Å; R407-E411 PolarHBondContact NH2-OE2 3.42Å; R408-E411 HydrophobicContact CB-CG 4.18Å; R408-E411 IonicContact CZ-OE1 2.7Å; R408-E411 IonicContact NE-OE1 3.97Å; R408-E411 PolarHBondContact NE-OE1 3.39Å; R408-E411 VanDerWaalsContact NE-OE1 3.08Å; R408-E411 IonicContact NH2-OE1 2.76Å; R408-E411 PolarHBondContact NH2-OE1 3.29Å; R408-E411 WeakPolarHBondContact O-CB 3.05Å; R408-E411 PolarHBondContact O-N 3.18Å; V409-E411 PolarHBondContact O-N 2.73Å
412G93.8Very high97.3Very high6 Ų621 Ų216%0.06210%0.099CC..THydrogen-bonded Turntrans87.28.5-176.200000114.6F30 R408 V409F30-G412 WeakPolarHBondContact CD1-O 3.36Å; F30-G412 VanDerWaalsContact CE1-O 3.26Å; F30-G412 WeakPolarHBondContact CE1-O 3.46Å; R408-G412 PolarHBondContact O-N 3.04Å; V409-G412 PolarHBondContact O-N 3.48Å
413G96.9Very high97.1Very high1 Ų124 Ų241%0.0113%0.125CC..SBendtrans-84.6-178.8175.200000114A404 R407 R408A404-G413 CarbonylContact O-C 3.59Å; A404-G413 WeakPolarHBondContact O-CA 3.4Å; R407-G413 CarbonylContact O-C 3.4Å; R407-G413 WeakPolarHBondContact O-CA 3.45Å; R408-G413 PolarHBondContact O-N 2.74Å
414L98.1Very high97.2Very high7 Ų724.6 Ų24.64%0.03713%0.128CC..  trans-87.4-7.2178.1-56.7-176.9000114.1L348 L375 M379 N382 M402 A404 L405 F416L348-L414 HydrophobicContact CD2-CD1 3.85Å; L375-L414 HydrophobicContact CD2-CD1 3.42Å; L375-L414 VanDerWaalsContact CD2-CD1 3.42Å; L375-L414 HydrophobicContact CD2-CD2 3.56Å; L375-L414 HydrophobicContact CD2-CG 4.15Å; M379-L414 HydrophobicContact CG-CD2 3.49Å; M379-L414 VanDerWaalsContact CG-CD2 3.49Å; M379-L414 HydrophobicContact SD-CD2 3.89Å; N382-L414 WeakPolarHBondContact CB-O 3.24Å; N382-L414 PolarHBondContact ND2-O 3.14Å; M402-L414 HydrophobicContact CE-CD1 4.07Å; M402-L414 HydrophobicContact SD-CD1 3.94Å; A404-L414 PolarHBondContact O-N 3.21Å; A404-L414 VanDerWaalsContact O-N 3.1Å; L405-L414 HydrophobicContact CD1-CB 4.2Å; L405-L414 HydrophobicContact CD1-CD1 3.57Å; L405-L414 HydrophobicContact CD1-CG 4.39Å; L414-F416 HydrophobicContact CB-CD2 4.2Å
415G98.3Very high97.2Very high8 Ų824.7 Ų24.78%0.08213%0.128CC..  trans86.35.8171.800000115.4N382 H386 R407N382-G415 VanDerWaalsContact CG-C 3.44Å; N382-G415 PolarHBondContact OD1-O 3.33Å; H386-G415 PolarHBondContact CE1-O 3.07Å; H386-G415 VanDerWaalsContact CE1-O 3.27Å; R407-G415 VanDerWaalsContact O-CA 3.24Å; R407-G415 WeakPolarHBondContact O-CA 3.34Å; R407-G415 PolarHBondContact O-N 2.96Å
416F98.8Very high97Very high4 Ų429.6 Ų29.62%0.01815%0.154CC..  trans-68.3146.4173.1-72.5-82.6000111.3F341 I344 L378 N382 T394 A396 L405 C406 L414F341-F416 HydrophobicContact CB-CE1 3.93Å; F341-F416 HydrophobicContact CB-CZ 4.11Å; F341-F416 HydrophobicContact CD1-CZ 4.47Å; F341-F416 AromaticContact CD2-CE1 3.62Å; F341-F416 HydrophobicContact CD2-CE1 3.62Å; F341-F416 HydrophobicContact CD2-CZ 4.28Å; F341-F416 HydrophobicContact CE2-CE1 4.25Å; F341-F416 AromaticContact CG-CE1 3.82Å; F341-F416 HydrophobicContact CG-CE1 3.82Å; F341-F416 HydrophobicContact CG-CZ 4.06Å; I344-F416 HydrophobicContact CD1-CE2 4.42Å; I344-F416 HydrophobicContact CD1-CZ 3.86Å; I344-F416 HydrophobicContact CG1-CZ 4.33Å; L378-F416 HydrophobicContact CB-CE2 4.39Å; L378-F416 HydrophobicContact CD1-CE2 4.46Å; L378-F416 HydrophobicContact CD2-CE2 4.45Å; L378-F416 HydrophobicContact CD2-CZ 4.08Å; N382-F416 WeakPolarHBondContact ND2-CD2 3.45Å; N382-F416 WeakPolarHBondContact ND2-CE2 3.15Å; T394-F416 WeakPolarHBondContact OG1-CA 3.45Å; A396-F416 HydrophobicContact CB-CB 4.34Å; A396-F416 HydrophobicContact CB-CD1 3.81Å; A396-F416 HydrophobicContact CB-CD2 3.96Å; A396-F416 HydrophobicContact CB-CE1 4.02Å; A396-F416 HydrophobicContact CB-CE2 4.16Å; A396-F416 HydrophobicContact CB-CG 3.77Å; A396-F416 HydrophobicContact CB-CZ 4.18Å; L405-F416 HydrophobicContact CD1-CD2 3.56Å; L405-F416 HydrophobicContact CD1-CE2 3.89Å; L405-F416 HydrophobicContact CG-CD2 4.24Å; L405-F416 PolarHBondContact O-N 3Å; C406-F416 CarbonylContact C-O 3.58Å; C406-F416 VanDerWaalsContact C-O 3.3Å; C406-F416 WeakPolarHBondContact CA-O 3.39Å; L414-F416 HydrophobicContact CB-CD2 4.2Å
417D98.8Very high96.9Very high20 Ų2030.5 Ų30.511%0.10716%0.157CC..SBendtrans-77.8-44.7173.1-95.5-55.4000111.6K178 H386 I393 T394 K457K178-D417 IonicContact NZ-OD1 2.96Å; K178-D417 PolarHBondContact NZ-OD1 3.47Å; K178-D417 IonicContact NZ-OD2 3.76Å; K178-D417 PolarHBondContact NZ-OD2 3.27Å; H386-D417 IonicContact NE2-OD2 2.64Å; I393-D417 WeakPolarHBondContact CA-OD2 3.42Å; T394-D417 WeakPolarHBondContact O-CA 3.32Å; T394-D417 WeakPolarHBondContact O-CB 3.44Å; T394-D417 PolarHBondContact O-N 2.99Å; T394-D417 PolarHBondContact OG1-N 3.3Å; D417-K457 WeakPolarHBondContact O-CE 3.25Å; D417-K457 IonicContact OD1-NZ 3.4Å; D417-K457 PolarHBondContact OD1-NZ 3.16Å
418Y98.9Very high96.9Very high22 Ų2231 Ų319%0.08616%0.159CC..EExtended strand (participates in β ladder)trans-136159.4-176.2-58.3-94.9000111.2L182 I393 T394 I395 A396 K457 I459L182-Y418 HydrophobicContact CD1-CD2 3.95Å; L182-Y418 HydrophobicContact CD1-CE2 3.51Å; L182-Y418 HydrophobicContact CG-CE2 4.33Å; I393-Y418 HydrophobicContact CG2-CD2 4.16Å; I393-Y418 HydrophobicContact CG2-CE2 4.2Å; T394-Y418 PolarHBondContact O-N 3.07Å; T394-Y418 VanDerWaalsContact O-N 3.13Å; I395-Y418 CarbonylContact C-O 3.59Å; I395-Y418 VanDerWaalsContact CA-O 3.3Å; I395-Y418 WeakPolarHBondContact CA-O 3.3Å; I395-Y418 HydrophobicContact CG1-CD2 4.47Å; A396-Y418 PolarHBondContact N-O 3.27Å; Y418-K457 WeakPolarHBondContact CA-O 3.35Å; Y418-K457 HydrophobicContact CD1-CB 3.32Å; Y418-K457 HydrophobicContact CD1-CD 4.36Å; Y418-K457 HydrophobicContact CD1-CG 4.41Å; Y418-K457 HydrophobicContact CE1-CB 3.48Å; Y418-K457 VanDerWaalsContact CE1-CB 3.48Å; Y418-K457 HydrophobicContact CE1-CD 3.73Å; Y418-K457 HydrophobicContact CE1-CG 4.13Å; Y418-K457 HydrophobicContact CG-CB 4.17Å; Y418-I459 HydrophobicContact CD1-CD1 3.59Å; Y418-I459 HydrophobicContact CD1-CG1 4.2Å; Y418-I459 HydrophobicContact CE1-CD1 4.06Å; Y418-I459 HydrophobicContact CG-CD1 3.89Å; Y418-I459 HydrophobicContact CG-CG1 4.17Å
419R98.6Very high96.9Very high41 Ų4128 Ų2816%0.15515%0.151CC..EExtended strand (participates in β ladder)trans-119.7158.7159.862.3171.8-68-173.73.3111.7A396 D398 L405 C406 K457 C458 I459A396-R419 VanDerWaalsContact O-CA 3.3Å; A396-R419 WeakPolarHBondContact O-CA 3.17Å; D398-R419 PolarHBondContact O-NH2 3.27Å; D398-R419 IonicContact OD2-NH2 3.67Å; L405-R419 HydrophobicContact CD2-CB 4.33Å; C406-R419 PolarHBondContact SG-N 3.48Å; C406-R419 VanDerWaalsContact SG-N 3.36Å; R419-K457 PolarHBondContact N-O 3.23Å; R419-K457 VanDerWaalsContact N-O 3.17Å; R419-C458 HydrophobicContact CG-CB 4.15Å; R419-C458 CarbonylContact O-C 3.49Å; R419-C458 WeakPolarHBondContact O-CA 3.39Å; R419-C458 WeakPolarHBondContact O-CB 3.35Å; R419-I459 PolarHBondContact O-N 3.39Å
420L98.6Very high96.9Very high11 Ų1131.3 Ų31.36%0.05817%0.166CC..EExtended strand (participates in β ladder)trans-73.4137.6169.5-66.1-169.3000111.3I395 A396 E397 M422 I459 Y461I395-L420 HydrophobicContact CG2-CD2 3.89Å; I395-L420 HydrophobicContact CG2-CG 4.19Å; A396-L420 PolarHBondContact O-N 2.63Å; A396-L420 VanDerWaalsContact O-N 3.08Å; E397-L420 HydrophobicContact CB-CD1 4.22Å; E397-L420 HydrophobicContact CG-CD1 4.14Å; L420-M422 VanDerWaalsContact C-N 3.29Å; L420-M422 HydrophobicContact CB-CG 3.72Å; L420-M422 HydrophobicContact CB-SD 4.47Å; L420-M422 PolarHBondContact O-N 3.43Å; L420-I459 HydrophobicContact CD2-CB 3.98Å; L420-I459 HydrophobicContact CD2-CG2 4.36Å; L420-Y461 HydrophobicContact CB-CE1 3.86Å; L420-Y461 HydrophobicContact CD1-CE1 4.36Å; L420-Y461 HydrophobicContact CD2-CE1 4Å; L420-Y461 HydrophobicContact CG-CE1 4.28Å
421A97.7Very high97Very high19 Ų1928.4 Ų28.416%0.15715%0.152CC..  trans-88.465.2175.400000111A423 I424 C458 I459A421-A423 PolarHBondContact O-N 2.74Å; A421-A423 VanDerWaalsContact O-N 3.12Å; A421-I424 HydrophobicContact CB-CD1 3.68Å; A421-I424 HydrophobicContact CB-CG1 4.24Å; A421-I424 PolarHBondContact O-N 2.64Å; A421-I424 VanDerWaalsContact O-N 3.17Å; A421-C458 HydrophobicContact CB-CB 4.36Å; A421-I459 WeakPolarHBondContact CB-O 3.42Å; A421-I459 PolarHBondContact N-O 2.92Å
422M95.8Very high97.1Very high34 Ų3434 Ų3417%0.16718%0.182CC..THydrogen-bonded Turntrans-66.2-17-165.1-51.2-17472.700115.2E397 V399 L420 I424 P425 Y461E397-M422 HydrophobicContact CG-CE 3.89Å; E397-M422 HydrophobicContact CG-SD 4Å; V399-M422 HydrophobicContact CB-SD 3.86Å; V399-M422 HydrophobicContact CG2-CB 4.45Å; L420-M422 VanDerWaalsContact C-N 3.29Å; L420-M422 HydrophobicContact CB-CG 3.72Å; L420-M422 HydrophobicContact CB-SD 4.47Å; L420-M422 PolarHBondContact O-N 3.43Å; M422-I424 VanDerWaalsContact C-N 3.33Å; M422-P425 WeakPolarHBondContact O-CD 3.3Å; M422-Y461 WeakPolarHBondContact CA-OH 3.35Å; M422-Y461 WeakPolarHBondContact CG-OH 3.37Å
423A94.8Very high97.3Very high67 Ų6741.8 Ų41.855%0.55421%0.214SC*.Hα-helixtrans-77-16177.200000114A421 K427A421-A423 PolarHBondContact O-N 2.74Å; A421-A423 VanDerWaalsContact O-N 3.12Å; A423-K427 PolarHBondContact O-N 2.81Å
424I98Very high97.3Very high12 Ų1248.1 Ų48.16%0.06224%0.244CC..Hα-helixtrans-67.6-49-178.2-62.8174.2000111.5A421 M422 D426 K427 W428 T448 L449 A460 Y461A421-I424 HydrophobicContact CB-CD1 3.68Å; A421-I424 HydrophobicContact CB-CG1 4.24Å; A421-I424 PolarHBondContact O-N 2.64Å; A421-I424 VanDerWaalsContact O-N 3.17Å; M422-I424 VanDerWaalsContact C-N 3.33Å; I424-D426 VanDerWaalsContact C-N 3.33Å; I424-D426 PolarHBondContact O-N 2.65Å; I424-K427 WeakPolarHBondContact O-CB 3.4Å; I424-K427 PolarHBondContact O-N 3.39Å; I424-K427 VanDerWaalsContact O-N 3.17Å; I424-W428 PolarHBondContact O-N 2.85Å; I424-T448 HydrophobicContact CG1-CG2 4.27Å; I424-L449 HydrophobicContact CD1-CD2 4.04Å; I424-L449 HydrophobicContact CG1-CD2 4.19Å; I424-L449 HydrophobicContact CG2-CD2 3.82Å; I424-A460 HydrophobicContact CD1-CB 3.76Å; I424-Y461 VanDerWaalsContact CG2-O 3.31Å; I424-Y461 WeakPolarHBondContact CG2-O 3.37Å
425P97.3Very high97.3Very high4 Ų450.9 Ų50.93%0.02626%0.258CS..Hα-helixtrans-57.1-41.5176-21.325.9000114.4M422 K427 W428 I429 Y461 A462 Q467M422-P425 WeakPolarHBondContact O-CD 3.3Å; P425-K427 PolarHBondContact O-N 3.05Å; P425-W428 PolarHBondContact O-N 3.38Å; P425-W428 VanDerWaalsContact O-N 3.12Å; P425-I429 PolarHBondContact O-N 2.95Å; P425-Y461 HydrophobicContact CG-CD2 3.53Å; P425-Y461 HydrophobicContact CG-CE2 3.25Å; P425-A462 WeakPolarHBondContact CA-O 3.18Å; P425-Q467 VanDerWaalsContact CB-NE2 3.28Å
426D94.1Very high97.3Very high103 Ų10356.7 Ų56.755%0.55128%0.281SS*.Hα-helixtrans-59.8-37.9177.9-71.5-19.5000111.8I424 I429 Q430I424-D426 VanDerWaalsContact C-N 3.33Å; I424-D426 PolarHBondContact O-N 2.65Å; D426-I429 PolarHBondContact O-N 2.85Å; D426-Q430 WeakPolarHBondContact O-CB 3.47Å; D426-Q430 PolarHBondContact O-N 2.73Å
427K96.6Very high97.2Very high30 Ų3062.8 Ų62.813%0.1331%0.314CS..Hα-helixtrans-63.3-43.3175.8-178.255.156.5-171.30111.8A423 I424 P425 Q430 I431 N444 T448A423-K427 PolarHBondContact O-N 2.81Å; I424-K427 WeakPolarHBondContact O-CB 3.4Å; I424-K427 PolarHBondContact O-N 3.39Å; I424-K427 VanDerWaalsContact O-N 3.17Å; P425-K427 PolarHBondContact O-N 3.05Å; K427-Q430 PolarHBondContact O-N 3.22Å; K427-I431 HydrophobicContact CD-CD1 3.75Å; K427-I431 HydrophobicContact CD-CG1 4.1Å; K427-I431 HydrophobicContact CG-CD1 3.89Å; K427-I431 WeakPolarHBondContact O-CB 3.44Å; K427-I431 VanDerWaalsContact O-CG1 3.26Å; K427-I431 WeakPolarHBondContact O-CG1 3.49Å; K427-I431 PolarHBondContact O-N 3.03Å; K427-N444 WeakPolarHBondContact CD-OD1 3.45Å; K427-N444 WeakPolarHBondContact CE-OD1 3.48Å; K427-N444 PolarHBondContact NZ-OD1 3.14Å; K427-T448 HydrophobicContact CB-CG2 3.77Å; K427-T448 VanDerWaalsContact CE-OG1 3.22Å; K427-T448 WeakPolarHBondContact CE-OG1 3.36Å; K427-T448 HydrophobicContact CG-CG2 4.03Å
428W97.8Very high97.2Very high64 Ų6468.9 Ų68.924%0.24234%0.341CS..Hα-helixtrans-68.5-38.7177.2-65125.4000112.2I424 P425 Q430 I431 L432 W440 I445I424-W428 PolarHBondContact O-N 2.85Å; P425-W428 PolarHBondContact O-N 3.38Å; P425-W428 VanDerWaalsContact O-N 3.12Å; W428-Q430 PolarHBondContact O-N 2.76Å; W428-I431 HydrophobicContact CE3-CD1 4.08Å; W428-I431 HydrophobicContact CZ3-CD1 4.06Å; W428-I431 PolarHBondContact O-N 3.22Å; W428-L432 VanDerWaalsContact O-CB 3.31Å; W428-L432 WeakPolarHBondContact O-CB 3.42Å; W428-L432 VanDerWaalsContact O-CG 3.25Å; W428-L432 WeakPolarHBondContact O-CG 3.45Å; W428-L432 PolarHBondContact O-N 2.59Å; W428-W440 HydrophobicContact CZ3-CZ3 4.44Å; W428-I445 HydrophobicContact CH2-CD1 4.39Å; W428-I445 HydrophobicContact CH2-CG1 4.5Å; W428-I445 HydrophobicContact CH2-CG2 3.78Å; W428-I445 HydrophobicContact CZ2-CG2 4.36Å; W428-I445 HydrophobicContact CZ3-CD1 4.23Å; W428-I445 HydrophobicContact CZ3-CG1 4.47Å
429I96.3Very high97.1Very high54 Ų5472.8 Ų72.828%0.27736%0.361SS..Hα-helixtrans-57.3-51.1171.6-71.1167.7000110.4P425 D426 I431 L432 K433 Q467P425-I429 PolarHBondContact O-N 2.95Å; D426-I429 PolarHBondContact O-N 2.85Å; I429-I431 PolarHBondContact O-N 3.45Å; I429-L432 PolarHBondContact O-N 2.92Å; I429-K433 HydrophobicContact CG2-CD 3.68Å; I429-K433 HydrophobicContact CG2-CG 4.22Å; I429-K433 VanDerWaalsContact O-CB 3.3Å; I429-K433 WeakPolarHBondContact O-CB 3.13Å; I429-K433 WeakPolarHBondContact O-CG 3.32Å; I429-K433 PolarHBondContact O-N 2.93Å; I429-Q467 HydrophobicContact CD1-CG 3.99Å; I429-Q467 VanDerWaalsContact CG1-NE2 3.33Å
430Q96.3Very high97.1Very high75 Ų7574.5 Ų74.535%0.3537%0.367SS..Hα-helixtrans-56.7-52.6-178-172-168.311.500110.6D426 K427 W428 L432 K433 E434D426-Q430 WeakPolarHBondContact O-CB 3.47Å; D426-Q430 PolarHBondContact O-N 2.73Å; K427-Q430 PolarHBondContact O-N 3.22Å; W428-Q430 PolarHBondContact O-N 2.76Å; Q430-L432 PolarHBondContact O-N 3.48Å; Q430-K433 PolarHBondContact O-N 3.46Å; Q430-E434 VanDerWaalsContact CG-OE2 3.24Å; Q430-E434 WeakPolarHBondContact CG-OE2 3.42Å; Q430-E434 VanDerWaalsContact O-CB 3.27Å; Q430-E434 WeakPolarHBondContact O-CB 3.46Å; Q430-E434 PolarHBondContact O-N 2.9Å
431I96.9Very high97.1Very high5 Ų578.7 Ų78.73%0.02639%0.39CS..Hα-helixtrans-59.7-46-178.5-72172.7000111K427 W428 I429 L435 W440 I445K427-I431 HydrophobicContact CD-CD1 3.75Å; K427-I431 HydrophobicContact CD-CG1 4.1Å; K427-I431 HydrophobicContact CG-CD1 3.89Å; K427-I431 WeakPolarHBondContact O-CB 3.44Å; K427-I431 VanDerWaalsContact O-CG1 3.26Å; K427-I431 WeakPolarHBondContact O-CG1 3.49Å; K427-I431 PolarHBondContact O-N 3.03Å; W428-I431 HydrophobicContact CE3-CD1 4.08Å; W428-I431 HydrophobicContact CZ3-CD1 4.06Å; W428-I431 PolarHBondContact O-N 3.22Å; I429-I431 PolarHBondContact O-N 3.45Å; I431-L435 HydrophobicContact CG1-CD1 4.37Å; I431-L435 PolarHBondContact O-N 2.89Å; I431-W440 HydrophobicContact CG2-CD2 3.46Å; I431-W440 VanDerWaalsContact CG2-CD2 3.46Å; I431-W440 HydrophobicContact CG2-CE3 4.07Å; I431-W440 HydrophobicContact CG2-CG 3.84Å; I431-W440 HydrophobicContact CG2-CH2 4.07Å; I431-W440 HydrophobicContact CG2-CZ2 3.46Å; I431-W440 VanDerWaalsContact CG2-CZ2 3.46Å; I431-W440 HydrophobicContact CG2-CZ3 4.34Å; I431-I445 HydrophobicContact CD1-CD1 3.97Å; I431-I445 HydrophobicContact CD1-CG1 3.6Å
432L97.4Very high97.1Very high127 Ų12783.1 Ų83.167%0.66541%0.408SS*.Hα-helixtrans-75.3-26.1-176.3-69.2171.8000114W428 I429 Q430 W440W428-L432 VanDerWaalsContact O-CB 3.31Å; W428-L432 WeakPolarHBondContact O-CB 3.42Å; W428-L432 VanDerWaalsContact O-CG 3.25Å; W428-L432 WeakPolarHBondContact O-CG 3.45Å; W428-L432 PolarHBondContact O-N 2.59Å; I429-L432 PolarHBondContact O-N 2.92Å; Q430-L432 PolarHBondContact O-N 3.48Å; L432-W440 HydrophobicContact CD2-CH2 4.44Å; L432-W440 HydrophobicContact CD2-CZ2 4.12Å
433K96.9Very high97.2Very high169 Ų16983.7 Ų83.774%0.73542%0.423SS*.Hα-helixtrans-92.8-34.1-179.4-72.6-172.3-179.2172.60113.6I429 Q430I429-K433 HydrophobicContact CG2-CD 3.68Å; I429-K433 HydrophobicContact CG2-CG 4.22Å; I429-K433 VanDerWaalsContact O-CB 3.3Å; I429-K433 WeakPolarHBondContact O-CB 3.13Å; I429-K433 WeakPolarHBondContact O-CG 3.32Å; I429-K433 PolarHBondContact O-N 2.93Å; Q430-K433 PolarHBondContact O-N 3.46Å
434E97.6Very high97.3Very high135 Ų13583.4 Ų83.463%0.63141%0.412SS*.Hα-helixtrans-110.3-20.4-164.9-57.5178.4-179.900113.9Q430Q430-E434 VanDerWaalsContact CG-OE2 3.24Å; Q430-E434 WeakPolarHBondContact CG-OE2 3.42Å; Q430-E434 VanDerWaalsContact O-CB 3.27Å; Q430-E434 WeakPolarHBondContact O-CB 3.46Å; Q430-E434 PolarHBondContact O-N 2.9Å
435L97.4Very high97.4Very high64 Ų6483.8 Ų83.834%0.33541%0.414SS..  trans-122.8146.3-171.4-55.5179.3000111.6I431 E439I431-L435 HydrophobicContact CG1-CD1 4.37Å; I431-L435 PolarHBondContact O-N 2.89Å; L435-E439 HydrophobicContact CB-CB 4.3Å
436K98Very high97.4Very high131 Ų13187.7 Ų87.757%0.5744%0.438SS*.  trans-79.4158.6164.6-58.2179-173.3167.90110.7E438 E439 W440K436-E438 WeakPolarHBondContact CB-OE1 3.13Å; K436-E438 WeakPolarHBondContact CD-OE1 3.28Å; K436-E438 PolarHBondContact O-N 2.65Å; K436-E439 HydrophobicContact CB-CG 4.39Å; K436-E439 PolarHBondContact N-OE2 3.46Å; K436-E439 WeakPolarHBondContact O-CB 3.26Å; K436-E439 PolarHBondContact O-N 3.39Å; K436-W440 PolarHBondContact O-NE1 3.17Å
437D98.2Very high97.6Very high132 Ų13288.3 Ų88.371%0.70644%0.436SS*.G310 helixtrans-50.8-36.5-178.7-62.22000113.7E439D437-E439 VanDerWaalsContact C-N 3.31Å; D437-E439 PolarHBondContact O-N 3.26Å
438E97.9Very high97.7Very high147 Ų14788.2 Ų88.269%0.68744%0.437SS*.G310 helixtrans-78.3-11.8-179.71274.2-153.600114.5K436K436-E438 WeakPolarHBondContact CB-OE1 3.13Å; K436-E438 WeakPolarHBondContact CD-OE1 3.28Å; K436-E438 PolarHBondContact O-N 2.65Å
439E97.9Very high97.7Very high105 Ų10588.9 Ų88.949%0.49145%0.446SS..G310 helixtrans-94.8-0.3178.7-60.4175.6131.800112.3L435 K436 D437 D441L435-E439 HydrophobicContact CB-CB 4.3Å; K436-E439 HydrophobicContact CB-CG 4.39Å; K436-E439 PolarHBondContact N-OE2 3.46Å; K436-E439 WeakPolarHBondContact O-CB 3.26Å; K436-E439 PolarHBondContact O-N 3.39Å; D437-E439 VanDerWaalsContact C-N 3.31Å; D437-E439 PolarHBondContact O-N 3.26Å; E439-D441 PolarHBondContact O-N 2.96Å
440W97.9Very high97.7Very high77 Ų7790.5 Ų90.529%0.29246%0.458SS..  trans-67.4117.6-178.3-69.919.1000111.4W428 I431 L432 K436 M442 I445W428-W440 HydrophobicContact CZ3-CZ3 4.44Å; I431-W440 HydrophobicContact CG2-CD2 3.46Å; I431-W440 VanDerWaalsContact CG2-CD2 3.46Å; I431-W440 HydrophobicContact CG2-CE3 4.07Å; I431-W440 HydrophobicContact CG2-CG 3.84Å; I431-W440 HydrophobicContact CG2-CH2 4.07Å; I431-W440 HydrophobicContact CG2-CZ2 3.46Å; I431-W440 VanDerWaalsContact CG2-CZ2 3.46Å; I431-W440 HydrophobicContact CG2-CZ3 4.34Å; L432-W440 HydrophobicContact CD2-CH2 4.44Å; L432-W440 HydrophobicContact CD2-CZ2 4.12Å; K436-W440 PolarHBondContact O-NE1 3.17Å; W440-M442 HydrophobicContact CB-CE 3.49Å; W440-M442 VanDerWaalsContact CB-CE 3.49Å; W440-M442 HydrophobicContact CE3-CE 4.44Å; W440-M442 VanDerWaalsContact O-CE 3.28Å; W440-M442 WeakPolarHBondContact O-CE 3.43Å; W440-M442 PolarHBondContact O-N 3.22Å; W440-I445 HydrophobicContact CE3-CD1 4.19Å
441D97.9Very high97.8Very high99 Ų9992.1 Ų92.153%0.52947%0.469SS..  trans-82.2104.4175-176.6-16.6000110.9E439 G443 N444 I445E439-D441 PolarHBondContact O-N 2.96Å; D441-G443 VanDerWaalsContact C-N 3.25Å; D441-G443 PolarHBondContact O-N 2.74Å; D441-G443 WeakPolarHBondContact OD1-CA 3.39Å; D441-G443 PolarHBondContact OD1-N 2.93Å; D441-N444 HydrophobicContact CB-CB 3.82Å; D441-N444 WeakPolarHBondContact O-CB 3.02Å; D441-N444 PolarHBondContact O-N 3.1Å; D441-N444 VanDerWaalsContact O-N 3.14Å; D441-N444 PolarHBondContact OD1-N 2.56Å; D441-N444 VanDerWaalsContact OD1-N 3.1Å; D441-I445 PolarHBondContact O-N 3.14Å
442M98.1Very high97.7Very high112 Ų11299.7 Ų99.755%0.55250%0.497SS*.Hα-helixtrans-60.3-34.3178.1-61.7-59102.800112.9W440 N444 I445 V446W440-M442 HydrophobicContact CB-CE 3.49Å; W440-M442 VanDerWaalsContact CB-CE 3.49Å; W440-M442 HydrophobicContact CE3-CE 4.44Å; W440-M442 VanDerWaalsContact O-CE 3.28Å; W440-M442 WeakPolarHBondContact O-CE 3.43Å; W440-M442 PolarHBondContact O-N 3.22Å; M442-N444 VanDerWaalsContact C-N 3.34Å; M442-I445 HydrophobicContact CE-CD1 3.63Å; M442-I445 PolarHBondContact O-N 3.49Å; M442-I445 HydrophobicContact SD-CD1 4.35Å; M442-V446 VanDerWaalsContact O-CG2 3.31Å; M442-V446 WeakPolarHBondContact O-CG2 3.46Å; M442-V446 PolarHBondContact O-N 3.21Å
443G98.4Very high97.6Very high46 Ų4696.8 Ų96.847%0.47448%0.478SS..Hα-helixtrans-65.7-40.5176.700000111.4D441 V446 F447D441-G443 VanDerWaalsContact C-N 3.25Å; D441-G443 PolarHBondContact O-N 2.74Å; D441-G443 WeakPolarHBondContact OD1-CA 3.39Å; D441-G443 PolarHBondContact OD1-N 2.93Å; G443-V446 PolarHBondContact O-N 2.97Å; G443-F447 WeakPolarHBondContact O-CB 3.33Å; G443-F447 PolarHBondContact O-N 3.3Å
444N97.5Very high97.2Very high60 Ų6099.5 Ų99.532%0.32149%0.485SS..Hα-helixtrans-67.2-40.6176.8-164.5-103.4000112.6K427 D441 M442 F447 T448K427-N444 WeakPolarHBondContact CD-OD1 3.45Å; K427-N444 WeakPolarHBondContact CE-OD1 3.48Å; K427-N444 PolarHBondContact NZ-OD1 3.14Å; D441-N444 HydrophobicContact CB-CB 3.82Å; D441-N444 WeakPolarHBondContact O-CB 3.02Å; D441-N444 PolarHBondContact O-N 3.1Å; D441-N444 VanDerWaalsContact O-N 3.14Å; D441-N444 PolarHBondContact OD1-N 2.56Å; D441-N444 VanDerWaalsContact OD1-N 3.1Å; M442-N444 VanDerWaalsContact C-N 3.34Å; N444-F447 PolarHBondContact O-N 2.86Å; N444-T448 PolarHBondContact O-N 3.13Å; N444-T448 PolarHBondContact O-OG1 3.21Å
445I98.3Very high96.9Very high20 Ų2094.8 Ų94.810%0.10347%0.472CS..Hα-helixtrans-60.3-51.4174-67.2170.2000110.6W428 I431 W440 D441 M442 F447 T448 L449W428-I445 HydrophobicContact CH2-CD1 4.39Å; W428-I445 HydrophobicContact CH2-CG1 4.5Å; W428-I445 HydrophobicContact CH2-CG2 3.78Å; W428-I445 HydrophobicContact CZ2-CG2 4.36Å; W428-I445 HydrophobicContact CZ3-CD1 4.23Å; W428-I445 HydrophobicContact CZ3-CG1 4.47Å; I431-I445 HydrophobicContact CD1-CD1 3.97Å; I431-I445 HydrophobicContact CD1-CG1 3.6Å; W440-I445 HydrophobicContact CE3-CD1 4.19Å; D441-I445 PolarHBondContact O-N 3.14Å; M442-I445 HydrophobicContact CE-CD1 3.63Å; M442-I445 PolarHBondContact O-N 3.49Å; M442-I445 HydrophobicContact SD-CD1 4.35Å; I445-F447 VanDerWaalsContact C-N 3.29Å; I445-F447 PolarHBondContact O-N 2.91Å; I445-T448 PolarHBondContact O-N 3.38Å; I445-L449 HydrophobicContact CG2-CD1 3.88Å; I445-L449 HydrophobicContact CG2-CG 4.48Å; I445-L449 WeakPolarHBondContact O-CG 3.42Å; I445-L449 PolarHBondContact O-N 2.9Å
446V98.6Very high96.9Very high87 Ų8792.7 Ų92.753%0.52746%0.461SS..Hα-helixtrans-60.5-42.2179.1171.30000110.7M442 G443 L449 T450M442-V446 VanDerWaalsContact O-CG2 3.31Å; M442-V446 WeakPolarHBondContact O-CG2 3.46Å; M442-V446 PolarHBondContact O-N 3.21Å; G443-V446 PolarHBondContact O-N 2.97Å; V446-L449 PolarHBondContact O-N 3.45Å; V446-T450 HydrophobicContact CG1-CG2 4.33Å; V446-T450 PolarHBondContact O-OG1 3.15Å; V446-T450 PolarHBondContact O-N 3.06Å; V446-T450 WeakPolarHBondContact O-CB 3.2Å; V446-T450 WeakPolarHBondContact O-CG2 3.47Å
447F98.1Very high96.9Very high116 Ų11690.5 Ų90.551%0.50945%0.451SS..Hα-helixtrans-57.1-52.3175.5177.6-98.3000111.1G443 N444 I445 L449 T450 N451G443-F447 WeakPolarHBondContact O-CB 3.33Å; G443-F447 PolarHBondContact O-N 3.3Å; N444-F447 PolarHBondContact O-N 2.86Å; I445-F447 VanDerWaalsContact C-N 3.29Å; I445-F447 PolarHBondContact O-N 2.91Å; F447-L449 VanDerWaalsContact C-N 3.35Å; F447-L449 PolarHBondContact O-N 3.02Å; F447-T450 PolarHBondContact O-N 2.8Å; F447-N451 HydrophobicContact CZ-CB 3.98Å; F447-N451 PolarHBondContact O-N 3.18Å; F447-N451 WeakPolarHBondContact O-CB 3.31Å; F447-N451 WeakPolarHBondContact O-CA 3.14Å; F447-N451 WeakPolarHBondContact CZ-ND2 3.27Å; F447-N451 HydrophobicContact CE2-CB 4.1Å; F447-N451 HydrophobicContact CE1-CB 4.13Å; F447-N451 HydrophobicContact CD2-CB 4.36Å; F447-N451 HydrophobicContact CD1-CB 4.39Å
448T97.6Very high96.9Very high27 Ų2785.5 Ų85.517%0.16643%0.426CS..Hα-helixtrans-60.3-42-180-650000112.9I424 K427 N444 I445 T450I424-T448 HydrophobicContact CG1-CG2 4.27Å; K427-T448 HydrophobicContact CB-CG2 3.77Å; K427-T448 VanDerWaalsContact CE-OG1 3.22Å; K427-T448 WeakPolarHBondContact CE-OG1 3.36Å; K427-T448 HydrophobicContact CG-CG2 4.03Å; N444-T448 PolarHBondContact O-N 3.13Å; N444-T448 PolarHBondContact O-OG1 3.21Å; I445-T448 PolarHBondContact O-N 3.38Å; T448-T450 VanDerWaalsContact C-N 3.28Å; T448-T450 PolarHBondContact O-N 3.16Å
449L98.1Very high96.9Very high79 Ų7979.6 Ų79.641%0.41440%0.399SS..Hα-helixtrans-71.8-22.1-178.2-65.6175.8000113.3I424 I445 V446 F447I424-L449 HydrophobicContact CD1-CD2 4.04Å; I424-L449 HydrophobicContact CG1-CD2 4.19Å; I424-L449 HydrophobicContact CG2-CD2 3.82Å; I445-L449 HydrophobicContact CG2-CD1 3.88Å; I445-L449 HydrophobicContact CG2-CG 4.48Å; I445-L449 WeakPolarHBondContact O-CG 3.42Å; I445-L449 PolarHBondContact O-N 2.9Å; V446-L449 PolarHBondContact O-N 3.45Å; F447-L449 VanDerWaalsContact C-N 3.35Å; F447-L449 PolarHBondContact O-N 3.02Å
450T97.6Very high97Very high88 Ų8877.9 Ų77.954%0.5440%0.403SS..Hα-helixtrans-113.1-12.9-174.963.10000114.2V446 F447 T448 R452V446-T450 HydrophobicContact CG1-CG2 4.33Å; V446-T450 PolarHBondContact O-OG1 3.15Å; V446-T450 PolarHBondContact O-N 3.06Å; V446-T450 WeakPolarHBondContact O-CB 3.2Å; V446-T450 WeakPolarHBondContact O-CG2 3.47Å; F447-T450 PolarHBondContact O-N 2.8Å; T448-T450 VanDerWaalsContact C-N 3.28Å; T448-T450 PolarHBondContact O-N 3.16Å; T450-R452 VanDerWaalsContact C-N 3.3Å; T450-R452 PolarHBondContact O-N 3.17Å
451N97Very high97Very high109 Ų10976.3 Ų76.358%0.58340%0.397SS*.  trans-74.980.4178.5-175.334.7000111F447F447-N451 HydrophobicContact CZ-CB 3.98Å; F447-N451 PolarHBondContact O-N 3.18Å; F447-N451 WeakPolarHBondContact O-CB 3.31Å; F447-N451 WeakPolarHBondContact O-CA 3.14Å; F447-N451 WeakPolarHBondContact CZ-ND2 3.27Å; F447-N451 HydrophobicContact CE2-CB 4.1Å; F447-N451 HydrophobicContact CE1-CB 4.13Å; F447-N451 HydrophobicContact CD2-CB 4.36Å; F447-N451 HydrophobicContact CD1-CB 4.39Å
452R96.2Very high97Very high163 Ų16374.2 Ų74.262%0.61539%0.394SS*.SBendtrans-143.5159.6178.863.4179.6-175.5170.51.9110.3T450 Y454 C458T450-R452 VanDerWaalsContact C-N 3.3Å; T450-R452 PolarHBondContact O-N 3.17Å; R452-Y454 PolarHBondContact O-N 3.28Å; R452-C458 PolarHBondContact NH1-SG 3.17Å; R452-C458 WeakPolarHBondContact CD-SG 3.29Å
453R93.9Very high96.9Very high67 Ų6776.1 Ų76.125%0.25340%0.401SS..  trans-71.8125-180-55.8-173.868.678.49.2110.3D20 Y362 E456D20-R453 IonicContact OD2-CZ 2.65Å; D20-R453 IonicContact OD2-NH2 3.42Å; D20-R453 PolarHBondContact OD2-NH2 3.25Å; Y362-R453 PolarHBondContact OH-NH1 3.27Å; Y362-R453 PolarHBondContact OH-NH2 3.16Å; R453-E456 HydrophobicContact CB-CB 4.21Å; R453-E456 HydrophobicContact CB-CG 4.47Å; R453-E456 WeakPolarHBondContact CD-OE1 3.31Å; R453-E456 IonicContact NE-OE1 2.59Å; R453-E456 PolarHBondContact NE-OE1 3.29Å; R453-E456 PolarHBondContact O-N 3.12Å
454Y89.7Confident96.7Very high225 Ų22574.8 Ų74.888%0.88238%0.384SS*.THydrogen-bonded Turntrans-68.3136.3174.9-176.5-100.2000110.2R452 E456R452-Y454 PolarHBondContact O-N 3.28Å; Y454-E456 VanDerWaalsContact C-N 3.31Å
455G90.9Very high96.5Very high36 Ų3672.7 Ų72.737%0.37137%0.373SS..THydrogen-bonded Turntrans84.8-5.2-176.700000115R407R407-G455 PolarHBondContact NH1-O 3.02Å
456E97.3Very high95.7Very high20 Ų2074.6 Ų74.69%0.09338%0.383CS..SBendtrans-111.8122.7170.8-67.9-171-114.900108.7A404 L405 C406 R407 R453 Y454A404-E456 PolarHBondContact N-OE1 3.49Å; A404-E456 PolarHBondContact N-OE2 2.73Å; L405-E456 PolarHBondContact N-OE2 2.91Å; C406-E456 HydrophobicContact CB-CB 4.03Å; C406-E456 HydrophobicContact CB-CG 4.23Å; C406-E456 PolarHBondContact N-OE2 3.47Å; R407-E456 HydrophobicContact CG-CG 3.89Å; R453-E456 HydrophobicContact CB-CB 4.21Å; R453-E456 HydrophobicContact CB-CG 4.47Å; R453-E456 WeakPolarHBondContact CD-OE1 3.31Å; R453-E456 IonicContact NE-OE1 2.59Å; R453-E456 PolarHBondContact NE-OE1 3.29Å; R453-E456 PolarHBondContact O-N 3.12Å; Y454-E456 VanDerWaalsContact C-N 3.31Å
457K98.1Very high94.8Very high86 Ų8673.7 Ų73.737%0.37437%0.373SS..EExtended strand (participates in β ladder)trans-78.2144.4-175.7-56.7171.5-61.4-1690109.3D417 Y418 R419D417-K457 WeakPolarHBondContact O-CE 3.25Å; D417-K457 IonicContact OD1-NZ 3.4Å; D417-K457 PolarHBondContact OD1-NZ 3.16Å; Y418-K457 WeakPolarHBondContact CA-O 3.35Å; Y418-K457 HydrophobicContact CD1-CB 3.32Å; Y418-K457 HydrophobicContact CD1-CD 4.36Å; Y418-K457 HydrophobicContact CD1-CG 4.41Å; Y418-K457 HydrophobicContact CE1-CB 3.48Å; Y418-K457 VanDerWaalsContact CE1-CB 3.48Å; Y418-K457 HydrophobicContact CE1-CD 3.73Å; Y418-K457 HydrophobicContact CE1-CG 4.13Å; Y418-K457 HydrophobicContact CG-CB 4.17Å; R419-K457 PolarHBondContact N-O 3.23Å; R419-K457 VanDerWaalsContact N-O 3.17Å
458C98Very high93.6Very high26 Ų2673.1 Ų73.118%0.17638%0.379CS..EExtended strand (participates in β ladder)trans-130.7152.3172.865.40000111.9R419 A421 R452R419-C458 HydrophobicContact CG-CB 4.15Å; R419-C458 CarbonylContact O-C 3.49Å; R419-C458 WeakPolarHBondContact O-CA 3.39Å; R419-C458 WeakPolarHBondContact O-CB 3.35Å; A421-C458 HydrophobicContact CB-CB 4.36Å; R452-C458 PolarHBondContact NH1-SG 3.17Å; R452-C458 WeakPolarHBondContact CD-SG 3.29Å
459I98.6Very high92Very high24 Ų2475.3 Ų75.312%0.12339%0.389CS..EExtended strand (participates in β ladder)trans-96.4117.7168.2-54.9-57000107.7L182 I184 I395 Y418 R419 L420 A421L182-I459 HydrophobicContact CB-CD1 4.24Å; L182-I459 HydrophobicContact CD1-CD1 4.28Å; I184-I459 HydrophobicContact CD1-CD1 4Å; I184-I459 HydrophobicContact CD1-CG1 4.06Å; I184-I459 HydrophobicContact CD1-CG2 4.16Å; I395-I459 HydrophobicContact CD1-CG1 4.3Å; Y418-I459 HydrophobicContact CD1-CD1 3.59Å; Y418-I459 HydrophobicContact CD1-CG1 4.2Å; Y418-I459 HydrophobicContact CE1-CD1 4.06Å; Y418-I459 HydrophobicContact CG-CD1 3.89Å; Y418-I459 HydrophobicContact CG-CG1 4.17Å; R419-I459 PolarHBondContact O-N 3.39Å; L420-I459 HydrophobicContact CD2-CB 3.98Å; L420-I459 HydrophobicContact CD2-CG2 4.36Å; A421-I459 WeakPolarHBondContact CB-O 3.42Å; A421-I459 PolarHBondContact N-O 2.92Å
460A98.4Very high89.1Confident68 Ų6882.5 Ų82.556%0.56243%0.426SS*.  trans-95.5139.2175.800000110.4I424I424-A460 HydrophobicContact CD1-CB 3.76Å
461Y98.3Very high88.7Confident45 Ų4582.3 Ų82.318%0.17642%0.42CS..  trans-146.6148.2175.952-82.8000108.2L420 M422 I424 P425 E463L420-Y461 HydrophobicContact CB-CE1 3.86Å; L420-Y461 HydrophobicContact CD1-CE1 4.36Å; L420-Y461 HydrophobicContact CD2-CE1 4Å; L420-Y461 HydrophobicContact CG-CE1 4.28Å; M422-Y461 WeakPolarHBondContact CA-OH 3.35Å; M422-Y461 WeakPolarHBondContact CG-OH 3.37Å; I424-Y461 VanDerWaalsContact CG2-O 3.31Å; I424-Y461 WeakPolarHBondContact CG2-O 3.37Å; P425-Y461 HydrophobicContact CG-CD2 3.53Å; P425-Y461 HydrophobicContact CG-CE2 3.25Å; Y461-E463 WeakPolarHBondContact CD2-O 3.27Å
462A98Very high88.2Confident55 Ų5580.8 Ų80.846%0.45541%0.412SS..SBendtrans-86-27.5-176.700000112.5P425P425-A462 WeakPolarHBondContact CA-O 3.18Å
463E96.8Very high87.8Confident152 Ų15276.3 Ų76.371%0.7140%0.4SS*.SBendtrans-149.9154.9-176.958.9-169.6140.400108.8Y461Y461-E463 WeakPolarHBondContact CD2-O 3.27Å
464S94.6Very high87.4Confident17 Ų1776.8 Ų76.812%0.11941%0.409CS..  trans-135.1167.9-177.760.90000113.3D466 Q467S464-D466 PolarHBondContact OG-N 2.72Å; S464-D466 PolarHBondContact O-N 3.17Å; S464-Q467 WeakPolarHBondContact O-CB 3.34Å; S464-Q467 PolarHBondContact O-N 3.33Å
465H91.7Very high87.3Confident16 Ų1667.6 Ų67.67%0.07438%0.379CS..G310 helixtrans-61.4-28.5169.863.1-89.5000113E186 M223 F234 Y236 Q467 V468 L469E186-H465 IonicContact OE1-CE1 3.77Å; E186-H465 PolarHBondContact OE1-CE1 3.27Å; E186-H465 IonicContact OE1-ND1 4Å; E186-H465 PolarHBondContact OE1-ND1 3.28Å; E186-H465 IonicContact OE2-CE1 3.18Å; E186-H465 IonicContact OE2-CG 2.8Å; E186-H465 IonicContact OE2-ND1 3.39Å; E186-H465 PolarHBondContact OE2-ND1 2.99Å; M223-H465 HydrophobicContact SD-CB 4.42Å; F234-H465 HydrophobicContact CD1-CB 4.47Å; F234-H465 HydrophobicContact CE1-CB 3.64Å; F234-H465 AromaticContact CE1-CG 3.97Å; F234-H465 HydrophobicContact CZ-CB 4.37Å; Y236-H465 PolarHBondContact OH-NE2 3.46Å; H465-Q467 PolarHBondContact O-N 3.01Å; H465-V468 HydrophobicContact CB-CG2 4.46Å; H465-V468 WeakPolarHBondContact O-CG2 3.08Å; H465-V468 PolarHBondContact O-N 2.69Å; H465-L469 PolarHBondContact O-N 2.99Å
466D81.3Confident87.1Confident61 Ų6169.7 Ų69.733%0.32638%0.38SS..G310 helixtrans-57.5-32.6175.7-63.2-49.8000112.4S464 V468 L469S464-D466 PolarHBondContact OG-N 2.72Å; S464-D466 PolarHBondContact O-N 3.17Å; D466-V468 PolarHBondContact O-N 2.62Å; D466-L469 PolarHBondContact O-N 3.04Å
467Q80.6Confident86.3Confident67 Ų6773.2 Ų73.231%0.31340%0.4SS..G310 helixtrans-73.3-12.6-180-58.7173.1-47.500112.8P425 I429 S464 H465P425-Q467 VanDerWaalsContact CB-NE2 3.28Å; I429-Q467 HydrophobicContact CD1-CG 3.99Å; I429-Q467 VanDerWaalsContact CG1-NE2 3.33Å; S464-Q467 WeakPolarHBondContact O-CB 3.34Å; S464-Q467 PolarHBondContact O-N 3.33Å; H465-Q467 PolarHBondContact O-N 3.01Å
468V72.1Confident85.4Confident105 Ų10572.2 Ų72.264%0.63640%0.402SS*.G310 helixtrans-105.2-5.2174.8-58.20000113.4H465 D466 I470H465-V468 HydrophobicContact CB-CG2 4.46Å; H465-V468 WeakPolarHBondContact O-CG2 3.08Å; H465-V468 PolarHBondContact O-N 2.69Å; D466-V468 PolarHBondContact O-N 2.62Å; V468-I470 PolarHBondContact O-N 2.88Å
469L65.1Low84.4Confident73 Ų7376.1 Ų76.138%0.38242%0.421SS..  trans-77.9104168.2-61.5176.5000108.1F234 Y236 H465 D466F234-L469 HydrophobicContact CB-CD2 3.69Å; F234-L469 HydrophobicContact CD1-CD2 4.03Å; F234-L469 HydrophobicContact CG-CD2 3.87Å; Y236-L469 HydrophobicContact CE2-CD1 4.12Å; H465-L469 PolarHBondContact O-N 2.99Å; D466-L469 PolarHBondContact O-N 3.04Å
470I37.1Very low83.1Confident230 Ų23080.8 Ų80.8100%1.17945%0.449SS*.  trans-106.60178.1-54.6176.5000110.1V468V468-I470 PolarHBondContact O-N 2.88Å

Retrieved 470 of 470 residues in 3736.6 ms (Link to these results)

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