A0A087XAK0_POEFO Loading...

Follistatin-like 4

AlphaFold DB , UniProt , Accession A0A087XAK0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 703 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
1S51.8Low74.8Confident125 Ų12563.2 Ų63.287%0.87437%0.374SS*.  0155.3036.10000107.7E76S1-E76 WeakPolarHBondContact CB-OE2 3.42Å; S1-E76 PolarHBondContact OG-OE1 3.39Å; S1-E76 PolarHBondContact OG-OE2 3.02Å
2A63.3Low75.2Confident56 Ų5660 Ų6046%0.46335%0.352SS..PPolyproline II helixtrans-96125.7-17600000109.5T4A2-T4 PolarHBondContact O-N 3.36Å
3C77.4Confident75.2Confident3 Ų359.2 Ų59.22%0.0235%0.351CS..PPolyproline II helixtrans-50.8127.5173.8174.30000111.4C77 D81 Y85C3-C77 HydrophobicContact CB-CB 3.76Å; C3-C77 WeakPolarHBondContact CB-SG 3.28Å; C3-C77 WeakPolarHBondContact SG-CB 3.46Å; C3-C77 CovalentContact SG-SG 2.01Å; C3-C77 PolarHBondContact SG-SG 3.34Å; C3-D81 HydrophobicContact CB-CB 4.4Å; C3-D81 WeakPolarHBondContact CB-OD2 3.18Å; C3-Y85 PolarHBondContact O-OH 2.98Å
4T80.4Confident75.3Confident70 Ų7057.1 Ų57.143%0.42934%0.339SS..PPolyproline II helixtrans-82.5158.2174.565.90000111.6A2 S6 E7 Y8A2-T4 PolarHBondContact O-N 3.36Å; T4-S6 PolarHBondContact O-N 2.88Å; T4-E7 WeakPolarHBondContact CB-OE2 3.47Å; T4-E7 WeakPolarHBondContact CG2-OE2 3.27Å; T4-E7 PolarHBondContact N-OE2 3.03Å; T4-E7 PolarHBondContact O-N 3.43Å; T4-E7 VanDerWaalsContact O-N 3.15Å; T4-E7 VanDerWaalsContact OG1-CG 3.25Å; T4-E7 WeakPolarHBondContact OG1-CG 3.46Å; T4-E7 PolarHBondContact OG1-N 3.15Å; T4-E7 PolarHBondContact OG1-OE2 3.27Å; T4-Y8 VanDerWaalsContact O-CB 3.31Å; T4-Y8 WeakPolarHBondContact O-CB 3.47Å; T4-Y8 PolarHBondContact O-N 2.8Å
5M76.9Confident75.2Confident90 Ų9054.1 Ų54.144%0.44332%0.321SS..Hα-helixtrans-58.6-32.5179.3-17161.375.700113.4Y8 N9 Y85M5-Y8 HydrophobicContact SD-CD1 3.8Å; M5-Y8 HydrophobicContact SD-CE1 4.48Å; M5-N9 WeakPolarHBondContact O-CB 3.32Å; M5-N9 VanDerWaalsContact O-CG 3.24Å; M5-N9 PolarHBondContact O-N 3.1Å; M5-N9 PolarHBondContact O-ND2 3.37Å; M5-Y85 HydrophobicContact CE-CD1 3.72Å; M5-Y85 HydrophobicContact CE-CE1 3.87Å
6S77.8Confident75Confident95 Ų9553.8 Ų53.866%0.66432%0.317SS*.Hα-helixtrans-68.3-44.7176.5-178.70000112.1T4 Y8 N9 K10T4-S6 PolarHBondContact O-N 2.88Å; S6-Y8 VanDerWaalsContact C-N 3.31Å; S6-N9 PolarHBondContact O-N 2.91Å; S6-K10 PolarHBondContact O-N 3.48Å
7E78.9Confident74.6Confident51 Ų5159.6 Ų59.624%0.23834%0.34CS..Hα-helixtrans-67.6-37.1176.5-65.7163.7145.800111T4 K10 L11 L75 C77T4-E7 WeakPolarHBondContact CB-OE2 3.47Å; T4-E7 WeakPolarHBondContact CG2-OE2 3.27Å; T4-E7 PolarHBondContact N-OE2 3.03Å; T4-E7 PolarHBondContact O-N 3.43Å; T4-E7 VanDerWaalsContact O-N 3.15Å; T4-E7 VanDerWaalsContact OG1-CG 3.25Å; T4-E7 WeakPolarHBondContact OG1-CG 3.46Å; T4-E7 PolarHBondContact OG1-N 3.15Å; T4-E7 PolarHBondContact OG1-OE2 3.27Å; E7-K10 WeakPolarHBondContact O-CB 3.47Å; E7-K10 PolarHBondContact O-N 3.44Å; E7-L11 PolarHBondContact O-N 3.49Å; E7-L75 HydrophobicContact CB-CD2 3.75Å; E7-L75 HydrophobicContact CG-CD2 4.22Å; E7-L75 WeakPolarHBondContact O-CD2 3.44Å; E7-C77 VanDerWaalsContact C-SG 3.59Å; E7-C77 WeakPolarHBondContact CB-SG 3.42Å
8Y82.3Confident74Confident3 Ų359.2 Ų59.21%0.01234%0.336CS..Hα-helixtrans-63-44.8174.8-179.2-114.4000113T4 M5 S6 K10 L11 K12 D81 L82 Y85 D86T4-Y8 VanDerWaalsContact O-CB 3.31Å; T4-Y8 WeakPolarHBondContact O-CB 3.47Å; T4-Y8 PolarHBondContact O-N 2.8Å; M5-Y8 HydrophobicContact SD-CD1 3.8Å; M5-Y8 HydrophobicContact SD-CE1 4.48Å; S6-Y8 VanDerWaalsContact C-N 3.31Å; Y8-K10 PolarHBondContact O-N 2.95Å; Y8-L11 HydrophobicContact CD2-CD2 4.39Å; Y8-L11 VanDerWaalsContact O-CB 3.32Å; Y8-L11 WeakPolarHBondContact O-CB 3.4Å; Y8-L11 PolarHBondContact O-N 2.99Å; Y8-L11 VanDerWaalsContact O-N 3.11Å; Y8-K12 HydrophobicContact CD1-CD 4.44Å; Y8-K12 HydrophobicContact CE1-CD 3.91Å; Y8-K12 PolarHBondContact O-N 3.47Å; Y8-K12 WeakPolarHBondContact OH-CE 3.49Å; Y8-K12 PolarHBondContact OH-NZ 3.11Å; Y8-D81 HydrophobicContact CD2-CB 4.01Å; Y8-D81 HydrophobicContact CE2-CB 4.1Å; Y8-D81 WeakPolarHBondContact CE2-O 3.46Å; Y8-L82 HydrophobicContact CE2-CD2 4.11Å; Y8-Y85 AromaticContact CD1-CD2 3.94Å; Y8-Y85 HydrophobicContact CD1-CD2 3.94Å; Y8-Y85 HydrophobicContact CD1-CG 4.17Å; Y8-Y85 AromaticContact CD2-CD2 3.68Å; Y8-Y85 HydrophobicContact CD2-CD2 3.68Å; Y8-Y85 HydrophobicContact CD2-CE2 4.22Å; Y8-Y85 AromaticContact CE1-CD2 3.98Å; Y8-Y85 HydrophobicContact CE1-CD2 3.98Å; Y8-Y85 AromaticContact CE1-CG 3.95Å; Y8-Y85 HydrophobicContact CE1-CG 3.95Å; Y8-Y85 AromaticContact CE2-CD2 3.77Å; Y8-Y85 HydrophobicContact CE2-CD2 3.77Å; Y8-Y85 HydrophobicContact CE2-CG 4.42Å; Y8-Y85 AromaticContact CG-CD2 3.74Å; Y8-Y85 HydrophobicContact CG-CD2 3.74Å; Y8-Y85 HydrophobicContact CG-CE2 4.13Å; Y8-Y85 HydrophobicContact CG-CG 4.43Å; Y8-Y85 VanDerWaalsContact CZ-CB 3.49Å; Y8-Y85 AromaticContact CZ-CD2 3.87Å; Y8-Y85 WeakPolarHBondContact OH-CB 2.97Å; Y8-D86 VanDerWaalsContact OH-CG 3.23Å; Y8-D86 PolarHBondContact OH-OD2 2.8Å
9N77.8Confident73.2Confident88 Ų8862.1 Ų62.147%0.47135%0.346SS..Hα-helixtrans-61.8-33.8174.4-74.2-21.9000112M5 S6 K12 S13M5-N9 WeakPolarHBondContact O-CB 3.32Å; M5-N9 VanDerWaalsContact O-CG 3.24Å; M5-N9 PolarHBondContact O-N 3.1Å; M5-N9 PolarHBondContact O-ND2 3.37Å; S6-N9 PolarHBondContact O-N 2.91Å; N9-K12 PolarHBondContact O-N 3.26Å; N9-S13 PolarHBondContact O-N 2.95Å
10K77.8Confident71.7Confident114 Ų11465 Ų6550%0.49637%0.368SS..Hα-helixtrans-72-33.5174.7-168.6175.4-179.9-173.50112.6S6 E7 Y8 S13 T14 L75S6-K10 PolarHBondContact O-N 3.48Å; E7-K10 WeakPolarHBondContact O-CB 3.47Å; E7-K10 PolarHBondContact O-N 3.44Å; Y8-K10 PolarHBondContact O-N 2.95Å; K10-S13 WeakPolarHBondContact CA-OG 3.11Å; K10-S13 PolarHBondContact O-OG 2.92Å; K10-T14 WeakPolarHBondContact O-CB 3.28Å; K10-T14 PolarHBondContact O-N 2.82Å; K10-T14 PolarHBondContact O-OG1 3.42Å; K10-L75 HydrophobicContact CB-CD2 4.14Å; K10-L75 HydrophobicContact CD-CD2 4.11Å; K10-L75 HydrophobicContact CG-CD1 4.38Å; K10-L75 HydrophobicContact CG-CD2 4.34Å
11L78.4Confident70.2Confident0 Ų071.8 Ų71.80%039%0.393CS..Hα-helixtrans-60-50.6169.1174.667.5000109.9E7 Y8 S13 T14 L15 M70 C77 T78E7-L11 PolarHBondContact O-N 3.49Å; Y8-L11 HydrophobicContact CD2-CD2 4.39Å; Y8-L11 VanDerWaalsContact O-CB 3.32Å; Y8-L11 WeakPolarHBondContact O-CB 3.4Å; Y8-L11 PolarHBondContact O-N 2.99Å; Y8-L11 VanDerWaalsContact O-N 3.11Å; L11-S13 PolarHBondContact O-N 3.13Å; L11-T14 PolarHBondContact O-N 2.74Å; L11-L15 HydrophobicContact CD1-CD1 4.35Å; L11-L15 HydrophobicContact CD1-CG 4.42Å; L11-L15 HydrophobicContact CG-CD1 4.12Å; L11-L15 WeakPolarHBondContact O-CG 3.39Å; L11-L15 PolarHBondContact O-N 3.2Å; L11-M70 HydrophobicContact CD1-CE 3.44Å; L11-M70 VanDerWaalsContact CD1-CE 3.44Å; L11-M70 HydrophobicContact CD1-SD 4.38Å; L11-C77 HydrophobicContact CB-CB 4.49Å; L11-C77 HydrophobicContact CD2-CB 4.11Å; L11-T78 WeakPolarHBondContact CD2-O 3.27Å
12K79.2Confident69.6Low25 Ų2570 Ų7011%0.10939%0.386CS..Hα-helixtrans-57.6-43.8177.7-75-177.5163.9178.50113Y8 N9 L15 L16 D86 A102 F103Y8-K12 HydrophobicContact CD1-CD 4.44Å; Y8-K12 HydrophobicContact CE1-CD 3.91Å; Y8-K12 PolarHBondContact O-N 3.47Å; Y8-K12 WeakPolarHBondContact OH-CE 3.49Å; Y8-K12 PolarHBondContact OH-NZ 3.11Å; N9-K12 PolarHBondContact O-N 3.26Å; K12-L15 PolarHBondContact O-N 3.29Å; K12-L16 PolarHBondContact O-N 3.01Å; K12-D86 WeakPolarHBondContact CE-OD2 3.45Å; K12-D86 VanDerWaalsContact NZ-CG 3.27Å; K12-D86 IonicContact NZ-OD1 3.01Å; K12-D86 PolarHBondContact NZ-OD1 2.78Å; K12-D86 IonicContact NZ-OD2 2.72Å; K12-D86 PolarHBondContact NZ-OD2 2.8Å; K12-A102 WeakPolarHBondContact CD-O 3.16Å; K12-A102 VanDerWaalsContact CE-O 3.32Å; K12-A102 WeakPolarHBondContact CE-O 3.49Å; K12-A102 PolarHBondContact NZ-O 3.13Å; K12-F103 HydrophobicContact CB-CE1 4.16Å; K12-F103 HydrophobicContact CG-CE1 4.21Å; K12-F103 HydrophobicContact CG-CZ 4.49Å
13S76.3Confident68.5Low50 Ų5074.5 Ų74.535%0.3541%0.408SS..Hα-helixtrans-65.5-40.7177.468.60000112N9 K10 L11 L15 L16 E17N9-S13 PolarHBondContact O-N 2.95Å; K10-S13 WeakPolarHBondContact CA-OG 3.11Å; K10-S13 PolarHBondContact O-OG 2.92Å; L11-S13 PolarHBondContact O-N 3.13Å; S13-L15 PolarHBondContact O-N 2.88Å; S13-L16 PolarHBondContact O-N 2.83Å; S13-E17 WeakPolarHBondContact O-CG 3.34Å; S13-E17 PolarHBondContact O-N 3.34Å
14T75.8Confident66.8Low29 Ų2976.5 Ų76.518%0.17843%0.428CS..Hα-helixtrans-63.7-42.9178.8-53.60000110.8K10 L11 L16 E17 M18K10-T14 WeakPolarHBondContact O-CB 3.28Å; K10-T14 PolarHBondContact O-N 2.82Å; K10-T14 PolarHBondContact O-OG1 3.42Å; L11-T14 PolarHBondContact O-N 2.74Å; T14-L16 VanDerWaalsContact C-N 3.29Å; T14-L16 PolarHBondContact O-N 3.38Å; T14-E17 PolarHBondContact O-N 3.08Å; T14-M18 HydrophobicContact CG2-CG 4.45Å; T14-M18 HydrophobicContact CG2-SD 4.21Å; T14-M18 VanDerWaalsContact O-CG 3.28Å; T14-M18 WeakPolarHBondContact O-CG 3.34Å; T14-M18 PolarHBondContact O-N 3.05Å
15L74.3Confident65.1Low12 Ų1279.5 Ų79.56%0.06345%0.453CS..Hα-helixtrans-58.9-38176.7-72.5170.2000112.9L11 K12 S13 E17 M44 M66 M79 F103L11-L15 HydrophobicContact CD1-CD1 4.35Å; L11-L15 HydrophobicContact CD1-CG 4.42Å; L11-L15 HydrophobicContact CG-CD1 4.12Å; L11-L15 WeakPolarHBondContact O-CG 3.39Å; L11-L15 PolarHBondContact O-N 3.2Å; K12-L15 PolarHBondContact O-N 3.29Å; S13-L15 PolarHBondContact O-N 2.88Å; L15-E17 VanDerWaalsContact C-N 3.31Å; L15-E17 PolarHBondContact O-N 3Å; L15-M44 HydrophobicContact CB-SD 3.91Å; L15-M66 HydrophobicContact CD2-SD 3.74Å; L15-M79 HydrophobicContact CD1-CE 3.97Å; L15-M79 HydrophobicContact CD1-SD 3.77Å; L15-M79 HydrophobicContact CD2-CE 4.06Å; L15-M79 HydrophobicContact CD2-SD 3.77Å; L15-M79 HydrophobicContact CG-SD 4.34Å; L15-F103 HydrophobicContact CB-CE1 4.09Å; L15-F103 HydrophobicContact CB-CZ 4.4Å; L15-F103 HydrophobicContact CD1-CE1 4.28Å; L15-F103 HydrophobicContact CD1-CZ 3.91Å
16L71.7Confident63.7Low49 Ų4977.9 Ų77.926%0.25746%0.458SS..Hα-helixtrans-70.1-26175.5-68.9172.7000113.1K12 S13 T14 L40 V41 F103K12-L16 PolarHBondContact O-N 3.01Å; S13-L16 PolarHBondContact O-N 2.83Å; T14-L16 VanDerWaalsContact C-N 3.29Å; T14-L16 PolarHBondContact O-N 3.38Å; L16-L40 HydrophobicContact CD2-CD2 3.6Å; L16-V41 HydrophobicContact CD2-CG2 3.77Å; L16-F103 HydrophobicContact CD1-CD1 4.08Å; L16-F103 HydrophobicContact CD2-CD1 3.74Å; L16-F103 HydrophobicContact CD2-CE1 4.43Å; L16-F103 HydrophobicContact CD2-CG 4.41Å; L16-F103 HydrophobicContact CG-CD1 3.78Å; L16-F103 HydrophobicContact CG-CE1 4.25Å
17E69Low62.3Low154 Ų15482.8 Ų82.872%0.7247%0.471SS*.Hα-helixtrans-87.4-12.2-177.9-71.9-179.9-175.900114S13 T14 L15 Q19S13-E17 WeakPolarHBondContact O-CG 3.34Å; S13-E17 PolarHBondContact O-N 3.34Å; T14-E17 PolarHBondContact O-N 3.08Å; L15-E17 VanDerWaalsContact C-N 3.31Å; L15-E17 PolarHBondContact O-N 3Å; E17-Q19 PolarHBondContact O-N 3.27Å; E17-Q19 VanDerWaalsContact O-N 3.12Å
18M63.4Low61.1Low52 Ų5285.9 Ų85.926%0.25648%0.48SS..SBendtrans-77.411.6-172.4-76.8175.581.600115.6T14 M66 Q69T14-M18 HydrophobicContact CG2-CG 4.45Å; T14-M18 HydrophobicContact CG2-SD 4.21Å; T14-M18 VanDerWaalsContact O-CG 3.28Å; T14-M18 WeakPolarHBondContact O-CG 3.34Å; T14-M18 PolarHBondContact O-N 3.05Å; M18-M66 HydrophobicContact CE-CB 4.49Å; M18-M66 HydrophobicContact CE-CE 3.15Å; M18-M66 HydrophobicContact CE-CG 4.44Å; M18-M66 HydrophobicContact CE-SD 3.66Å; M18-M66 HydrophobicContact SD-CE 3.72Å; M18-M66 HydrophobicContact SD-SD 3.81Å; M18-Q69 HydrophobicContact CE-CB 3.73Å; M18-Q69 HydrophobicContact CE-CG 4.47Å
19Q57.5Low59.9Low114 Ų11488.2 Ų88.253%0.53350%0.497SS..SBendtrans-114.1148.9172.4-87.7-151.72.700114.2E17 K21 L40E17-Q19 PolarHBondContact O-N 3.27Å; E17-Q19 VanDerWaalsContact O-N 3.12Å; Q19-K21 PolarHBondContact O-N 3.17Å; Q19-L40 HydrophobicContact CB-CD1 4.11Å
20P44Very low59Low120 Ų12092.5 Ų92.578%0.77951%0.514SS*.  trans-67.5127.3-16925.7-32.4000112.2A22P20-A22 PolarHBondContact O-N 2.76Å
21K41Very low58Low207 Ų20792.5 Ų92.590%0.952%0.516SS*.  trans-51.2106.6174.8-71.6179176.5177.20111.5Q19Q19-K21 PolarHBondContact O-N 3.17Å
22A39.1Very low57.2Low89 Ų8999.1 Ų99.174%0.73654%0.541SS*.  trans-77.7127.6161.200000109.6P20P20-A22 PolarHBondContact O-N 2.76Å
23V40.1Very low56.7Low150 Ų150101.9 Ų101.991%0.90956%0.557SS**  trans-67.1137.8-172.2173.60000112.3
24G40.6Very low56.5Low44 Ų44101.9 Ų101.945%0.45455%0.552SS.*  trans159.389161.500000114.2G26G24-G26 PolarHBondContact O-N 3.36Å
25S45.4Very low56.3Low134 Ų134106.4 Ų106.494%0.93757%0.571SS**  trans-81.6102.9169.5560000110.5
26G47.7Very low56.3Low55 Ų55110.5 Ų110.557%0.56759%0.59SS**SBendtrans-156149.8163.900000107.4G24 R28G24-G26 PolarHBondContact O-N 3.36Å; G26-R28 WeakPolarHBondContact O-CG 3.26Å; G26-R28 PolarHBondContact O-N 2.69Å
27E48.3Very low56.7Low198 Ų198110.5 Ų110.593%0.92559%0.588SS**  trans-44.8102-175.1-72.2178.2158.900111.5
28R54.1Low57.2Low116 Ų116108.7 Ų108.744%0.43858%0.575SS.*  trans-81.3123.4-177.3-73.2-178.5176.9-150.7-10.4107.7G26 D33 E36G26-R28 WeakPolarHBondContact O-CG 3.26Å; G26-R28 PolarHBondContact O-N 2.69Å; R28-D33 IonicContact NH1-OD1 3.77Å; R28-E36 IonicContact CZ-OE2 3.45Å; R28-E36 IonicContact NH1-OE1 3.98Å; R28-E36 IonicContact NH1-OE2 2.73Å; R28-E36 PolarHBondContact NH1-OE2 2.83Å; R28-E36 IonicContact NH2-OE2 3.62Å
29S55.9Low58Low52 Ų52109 Ų10936%0.36459%0.585SS.*  trans-68.9136.2168.253.80000108.9Q31 R32 D33S29-Q31 PolarHBondContact O-N 2.98Å; S29-R32 PolarHBondContact O-N 2.8Å; S29-R32 PolarHBondContact OG-NE 2.83Å; S29-R32 PolarHBondContact OG-NH2 2.82Å; S29-D33 PolarHBondContact O-N 3.27Å
30Q59.3Low59.1Low178 Ų178105.4 Ų105.483%0.83257%0.57SS**Hα-helixtrans-47.2-33.2179.8-74175.7-22.500113.9D33 M34Q30-D33 PolarHBondContact O-N 2.88Å; Q30-M34 PolarHBondContact O-N 3.37Å; Q30-M34 VanDerWaalsContact O-N 3.14Å
31Q56.9Low61Low114 Ų11499.7 Ų99.753%0.53353%0.533SS..Hα-helixtrans-68.2-34.8179.5-162.9157.41.200114.1S29 E35S29-Q31 PolarHBondContact O-N 2.98Å; Q31-E35 WeakPolarHBondContact O-CG 3.47Å; Q31-E35 PolarHBondContact O-N 3.32Å
32R61.6Low63Low139 Ų13992.5 Ų92.553%0.52550%0.504SS..Hα-helixtrans-72.4-34.1176-82.9-178.1-80176.5-0.2111.6S29 E35 E36S29-R32 PolarHBondContact O-N 2.8Å; S29-R32 PolarHBondContact OG-NE 2.83Å; S29-R32 PolarHBondContact OG-NH2 2.82Å; R32-E35 PolarHBondContact O-N 3.35Å; R32-E36 WeakPolarHBondContact O-CG 3.27Å; R32-E36 PolarHBondContact O-N 3.34Å
33D68.9Low65.1Low83 Ų8390.3 Ų90.344%0.44449%0.486SS..Hα-helixtrans-67.5-38.9176.9-154.654.9000111.4R28 S29 Q30 E36 K37R28-D33 IonicContact NH1-OD1 3.77Å; S29-D33 PolarHBondContact O-N 3.27Å; Q30-D33 PolarHBondContact O-N 2.88Å; D33-E36 PolarHBondContact O-N 2.77Å; D33-K37 VanDerWaalsContact O-CB 3.28Å; D33-K37 WeakPolarHBondContact O-CB 3.24Å; D33-K37 PolarHBondContact O-N 2.81Å
34M71.6Confident67.2Low51 Ų5184.2 Ų84.225%0.25145%0.448SS..Hα-helixtrans-68.7-36.6174.8-73.8-63.6-69.500113.4Q30 K37 R38 V105 V106Q30-M34 PolarHBondContact O-N 3.37Å; Q30-M34 VanDerWaalsContact O-N 3.14Å; M34-K37 PolarHBondContact O-N 3Å; M34-K37 HydrophobicContact SD-CD 4.31Å; M34-R38 VanDerWaalsContact O-CB 3.29Å; M34-R38 WeakPolarHBondContact O-CB 3.43Å; M34-R38 PolarHBondContact O-N 2.78Å; M34-V105 VanDerWaalsContact CE-C 3.41Å; M34-V105 WeakPolarHBondContact CE-O 3.47Å; M34-V106 WeakPolarHBondContact CE-O 3.25Å
35E71.1Confident69.4Low123 Ų12382.6 Ų82.658%0.57543%0.428SS*.Hα-helixtrans-66.5-41.9174-75.6174179.400111.8Q31 R32 R38 A39Q31-E35 WeakPolarHBondContact O-CG 3.47Å; Q31-E35 PolarHBondContact O-N 3.32Å; R32-E35 PolarHBondContact O-N 3.35Å; E35-R38 PolarHBondContact O-N 3.47Å; E35-A39 PolarHBondContact O-N 3.1Å
36E75.7Confident71.3Confident98 Ų9882.7 Ų82.746%0.45841%0.412SS..Hα-helixtrans-62.8-45.5173.5-75.6178.9-164.500111.2R28 R32 D33 R38 A39 L40R28-E36 IonicContact CZ-OE2 3.45Å; R28-E36 IonicContact NH1-OE1 3.98Å; R28-E36 IonicContact NH1-OE2 2.73Å; R28-E36 PolarHBondContact NH1-OE2 2.83Å; R28-E36 IonicContact NH2-OE2 3.62Å; R32-E36 WeakPolarHBondContact O-CG 3.27Å; R32-E36 PolarHBondContact O-N 3.34Å; D33-E36 PolarHBondContact O-N 2.77Å; E36-R38 VanDerWaalsContact C-N 3.32Å; E36-R38 PolarHBondContact O-N 2.9Å; E36-A39 PolarHBondContact O-N 2.77Å; E36-L40 WeakPolarHBondContact O-CB 3.38Å; E36-L40 PolarHBondContact O-N 2.78Å
37K78.8Confident73Confident50 Ų5087.3 Ų87.322%0.21741%0.413CS..Hα-helixtrans-61.2-40.5176-168.8-177.2-177.6-169.20111.7D33 M34 L40 V41 F103 Q104 V105D33-K37 VanDerWaalsContact O-CB 3.28Å; D33-K37 WeakPolarHBondContact O-CB 3.24Å; D33-K37 PolarHBondContact O-N 2.81Å; M34-K37 PolarHBondContact O-N 3Å; M34-K37 HydrophobicContact SD-CD 4.31Å; K37-L40 PolarHBondContact O-N 2.8Å; K37-V41 WeakPolarHBondContact O-CG2 3.31Å; K37-V41 PolarHBondContact O-N 2.86Å; K37-F103 WeakPolarHBondContact CE-O 3.45Å; K37-F103 PolarHBondContact NZ-O 3.29Å; K37-Q104 PolarHBondContact NZ-O 2.9Å; K37-V105 HydrophobicContact CG-CG2 4.35Å
38R80.1Confident74.7Confident116 Ų11678.1 Ų78.144%0.43837%0.37SS..Hα-helixtrans-63.6-47.9176.2-176172-179.8-178.51.6112.5M34 E35 E36 L40 V41 D42 Y100 V105M34-R38 VanDerWaalsContact O-CB 3.29Å; M34-R38 WeakPolarHBondContact O-CB 3.43Å; M34-R38 PolarHBondContact O-N 2.78Å; E35-R38 PolarHBondContact O-N 3.47Å; E36-R38 VanDerWaalsContact C-N 3.32Å; E36-R38 PolarHBondContact O-N 2.9Å; R38-L40 PolarHBondContact O-N 2.88Å; R38-V41 PolarHBondContact O-N 2.76Å; R38-D42 WeakPolarHBondContact O-CB 3.49Å; R38-D42 PolarHBondContact O-N 3.22Å; R38-Y100 HydrophobicContact CG-CE1 4.34Å; R38-Y100 PolarHBondContact NE-OH 2.76Å; R38-V105 HydrophobicContact CB-CG1 3.35Å; R38-V105 HydrophobicContact CG-CG1 3.56Å
39A80.1Confident76.2Confident58 Ų5873.1 Ų73.148%0.47935%0.352SS..Hα-helixtrans-59.5-36.4176.500000111.9E35 E36 A43E35-A39 PolarHBondContact O-N 3.1Å; E36-A39 PolarHBondContact O-N 2.77Å; A39-A43 WeakPolarHBondContact O-CB 3.29Å; A39-A43 PolarHBondContact O-N 3.46Å
40L81.9Confident77.5Confident39 Ų3973.9 Ų73.920%0.20437%0.369CS..Hα-helixtrans-68.1-43.5176.7-171.2142.3000112L16 Q19 E36 K37 R38 A43 M44L16-L40 HydrophobicContact CD2-CD2 3.6Å; Q19-L40 HydrophobicContact CB-CD1 4.11Å; E36-L40 WeakPolarHBondContact O-CB 3.38Å; E36-L40 PolarHBondContact O-N 2.78Å; K37-L40 PolarHBondContact O-N 2.8Å; R38-L40 PolarHBondContact O-N 2.88Å; L40-A43 PolarHBondContact O-N 2.81Å; L40-M44 WeakPolarHBondContact O-CB 3.49Å; L40-M44 PolarHBondContact O-N 2.83Å
41V83.4Confident78.7Confident0 Ų069.3 Ų69.30%035%0.35CS..Hα-helixtrans-70.8-34.4178175.40000111.8L16 K37 R38 M44 F45 F99 Y100 F103 V105L16-V41 HydrophobicContact CD2-CG2 3.77Å; K37-V41 WeakPolarHBondContact O-CG2 3.31Å; K37-V41 PolarHBondContact O-N 2.86Å; R38-V41 PolarHBondContact O-N 2.76Å; V41-M44 HydrophobicContact CG1-CE 4.43Å; V41-M44 HydrophobicContact CG2-CE 4.19Å; V41-M44 PolarHBondContact O-N 3.49Å; V41-F45 WeakPolarHBondContact O-CB 3.33Å; V41-F45 PolarHBondContact O-N 3.2Å; V41-F99 HydrophobicContact CG1-CD1 3.52Å; V41-F99 HydrophobicContact CG1-CE1 3.7Å; V41-Y100 HydrophobicContact CG1-CD1 3.78Å; V41-Y100 HydrophobicContact CG1-CE1 4.26Å; V41-F103 HydrophobicContact CG1-CB 4.18Å; V41-F103 HydrophobicContact CG1-CD2 4.14Å; V41-F103 HydrophobicContact CG1-CG 4.37Å; V41-F103 HydrophobicContact CG2-CB 3.65Å; V41-F103 HydrophobicContact CG2-CG 4Å; V41-V105 HydrophobicContact CB-CG2 3.71Å; V41-V105 HydrophobicContact CG1-CG2 3.94Å; V41-V105 HydrophobicContact CG2-CG2 3.45Å; V41-V105 VanDerWaalsContact CG2-CG2 3.45Å
42D83.7Confident80.1Confident56 Ų5670.4 Ų70.430%0.29936%0.355SS..Hα-helixtrans-59.8-48.1169.9-82.7-31.9000112R38 M44 F45 K46 Y100R38-D42 WeakPolarHBondContact O-CB 3.49Å; R38-D42 PolarHBondContact O-N 3.22Å; D42-M44 VanDerWaalsContact C-N 3.27Å; D42-M44 PolarHBondContact O-N 2.91Å; D42-F45 PolarHBondContact O-N 2.97Å; D42-K46 WeakPolarHBondContact O-CB 3.39Å; D42-K46 PolarHBondContact O-N 3.22Å; D42-Y100 WeakPolarHBondContact OD1-CE1 3.34Å; D42-Y100 PolarHBondContact OD1-OH 3.15Å; D42-Y100 PolarHBondContact OD2-OH 2.79Å
43A83.2Confident81.4Confident43 Ų4367.8 Ų67.836%0.35535%0.351SS..Hα-helixtrans-63.3-37.3177.600000111.6A39 L40 Y47A39-A43 WeakPolarHBondContact O-CB 3.29Å; A39-A43 PolarHBondContact O-N 3.46Å; L40-A43 PolarHBondContact O-N 2.81Å; A43-Y47 WeakPolarHBondContact O-CB 3.4Å; A43-Y47 PolarHBondContact O-N 3.21Å
44M83.8Confident82.2Confident21 Ų2165.4 Ų65.410%0.10335%0.347CS..Hα-helixtrans-68.8-49.1176.7-175.717156.100111.7L15 L40 V41 D42 K46 Y47 L48 F99 F103L15-M44 HydrophobicContact CB-SD 3.91Å; L40-M44 WeakPolarHBondContact O-CB 3.49Å; L40-M44 PolarHBondContact O-N 2.83Å; V41-M44 HydrophobicContact CG1-CE 4.43Å; V41-M44 HydrophobicContact CG2-CE 4.19Å; V41-M44 PolarHBondContact O-N 3.49Å; D42-M44 VanDerWaalsContact C-N 3.27Å; D42-M44 PolarHBondContact O-N 2.91Å; M44-K46 VanDerWaalsContact C-N 3.28Å; M44-K46 PolarHBondContact O-N 2.9Å; M44-Y47 WeakPolarHBondContact O-CB 3.33Å; M44-Y47 PolarHBondContact O-N 3.35Å; M44-L48 HydrophobicContact CG-CD1 4.17Å; M44-L48 HydrophobicContact CG-CG 4.36Å; M44-L48 VanDerWaalsContact O-CG 3.32Å; M44-L48 WeakPolarHBondContact O-CG 3.32Å; M44-L48 PolarHBondContact O-N 3.23Å; M44-F99 HydrophobicContact CB-CE1 4.33Å; M44-F99 HydrophobicContact CE-CE1 3.57Å; M44-F99 HydrophobicContact CE-CZ 3.6Å; M44-F99 HydrophobicContact CG-CE1 4.22Å; M44-F99 HydrophobicContact CG-CZ 3.97Å; M44-F99 HydrophobicContact SD-CZ 4.27Å; M44-F103 HydrophobicContact CE-CD1 3.82Å; M44-F103 HydrophobicContact CE-CD2 3.66Å; M44-F103 HydrophobicContact CE-CE1 3.47Å; M44-F103 VanDerWaalsContact CE-CE1 3.47Å; M44-F103 HydrophobicContact CE-CE2 3.34Å; M44-F103 HydrophobicContact CE-CG 3.91Å; M44-F103 HydrophobicContact CE-CZ 3.23Å; M44-F103 HydrophobicContact SD-CE1 4.39Å; M44-F103 HydrophobicContact SD-CZ 4.1Å
45F86Confident83.1Confident11 Ų1169.2 Ų69.25%0.04836%0.358CS..Hα-helixtrans-56.2-47.2177.3-172-91.2000110.5V41 D42 Y47 L48 D49 G54 L56 L96 F99V41-F45 WeakPolarHBondContact O-CB 3.33Å; V41-F45 PolarHBondContact O-N 3.2Å; D42-F45 PolarHBondContact O-N 2.97Å; F45-Y47 VanDerWaalsContact C-N 3.28Å; F45-Y47 PolarHBondContact O-N 3.22Å; F45-L48 PolarHBondContact O-N 2.85Å; F45-L48 VanDerWaalsContact O-N 3.13Å; F45-D49 HydrophobicContact CD1-CB 4.35Å; F45-D49 HydrophobicContact CE1-CB 4.2Å; F45-D49 VanDerWaalsContact O-CB 3.28Å; F45-D49 WeakPolarHBondContact O-CB 3.41Å; F45-D49 PolarHBondContact O-N 2.81Å; F45-G54 WeakPolarHBondContact CZ-O 3.16Å; F45-L56 HydrophobicContact CD2-CD1 3.57Å; F45-L56 HydrophobicContact CD2-CG 3.98Å; F45-L56 HydrophobicContact CE2-CD1 3.56Å; F45-L56 HydrophobicContact CE2-CD2 4.39Å; F45-L56 HydrophobicContact CE2-CG 3.54Å; F45-L56 HydrophobicContact CG-CD1 4.49Å; F45-L56 HydrophobicContact CZ-CD1 4.43Å; F45-L56 HydrophobicContact CZ-CG 3.96Å; F45-L96 HydrophobicContact CB-CD1 3.81Å; F45-L96 HydrophobicContact CD1-CB 4.4Å; F45-L96 HydrophobicContact CD1-CD1 3.74Å; F45-L96 HydrophobicContact CD2-CD1 3.99Å; F45-L96 HydrophobicContact CE1-CB 4.11Å; F45-L96 HydrophobicContact CE1-CD1 4.31Å; F45-L96 HydrophobicContact CE2-CB 4.29Å; F45-L96 HydrophobicContact CG-CD1 3.55Å; F45-L96 HydrophobicContact CZ-CB 4.04Å; F45-F99 HydrophobicContact CB-CD1 3.73Å; F45-F99 HydrophobicContact CB-CE1 3.74Å; F45-F99 HydrophobicContact CB-CG 4.49Å; F45-F99 HydrophobicContact CD2-CB 3.55Å; F45-F99 AromaticContact CD2-CD1 3.53Å; F45-F99 HydrophobicContact CD2-CD1 3.53Å; F45-F99 AromaticContact CD2-CD2 3.91Å; F45-F99 HydrophobicContact CD2-CD2 3.91Å; F45-F99 HydrophobicContact CD2-CE1 4.09Å; F45-F99 HydrophobicContact CD2-CE2 4.42Å; F45-F99 AromaticContact CD2-CG 3.42Å; F45-F99 HydrophobicContact CD2-CG 3.42Å; F45-F99 VanDerWaalsContact CD2-CG 3.42Å; F45-F99 HydrophobicContact CE2-CB 3.84Å; F45-F99 HydrophobicContact CE2-CD2 4.43Å; F45-F99 HydrophobicContact CE2-CG 4.1Å; F45-F99 HydrophobicContact CG-CD1 4.11Å; F45-F99 HydrophobicContact CG-CE1 4.45Å; F45-F99 HydrophobicContact CG-CG 4.41Å
46K85.4Confident83.9Confident135 Ų13563.4 Ų63.459%0.58733%0.331SS*.Hα-helixtrans-62.8-32.4177.1-169.9175-176.8176.70113.4D42 M44 E52D42-K46 WeakPolarHBondContact O-CB 3.39Å; D42-K46 PolarHBondContact O-N 3.22Å; M44-K46 VanDerWaalsContact C-N 3.28Å; M44-K46 PolarHBondContact O-N 2.9Å; K46-E52 VanDerWaalsContact CE-OE1 3.24Å; K46-E52 WeakPolarHBondContact CE-OE1 3.1Å; K46-E52 IonicContact NZ-OE1 3.7Å
47Y83.4Confident84.5Confident152 Ų15261.6 Ų61.660%0.59632%0.324SS*.Hα-helixtrans-72.2-36.5175.2176.1-96.3000112A43 M44 F45 I64A43-Y47 WeakPolarHBondContact O-CB 3.4Å; A43-Y47 PolarHBondContact O-N 3.21Å; M44-Y47 WeakPolarHBondContact O-CB 3.33Å; M44-Y47 PolarHBondContact O-N 3.35Å; F45-Y47 VanDerWaalsContact C-N 3.28Å; F45-Y47 PolarHBondContact O-N 3.22Å; Y47-I64 HydrophobicContact CE1-CD1 4.36Å; Y47-I64 HydrophobicContact CE1-CG2 3.99Å
48L83.6Confident84.8Confident5 Ų561.5 Ų61.53%0.02633%0.329CS..Hα-helixtrans-75.7-35178.2-58.8177.5000111.9M44 F45 G50 L56 L61 I64 M79 F99M44-L48 HydrophobicContact CG-CD1 4.17Å; M44-L48 HydrophobicContact CG-CG 4.36Å; M44-L48 VanDerWaalsContact O-CG 3.32Å; M44-L48 WeakPolarHBondContact O-CG 3.32Å; M44-L48 PolarHBondContact O-N 3.23Å; F45-L48 PolarHBondContact O-N 2.85Å; F45-L48 VanDerWaalsContact O-N 3.13Å; L48-G50 VanDerWaalsContact C-N 3.32Å; L48-G50 PolarHBondContact O-N 3.07Å; L48-L56 HydrophobicContact CB-CD1 4.01Å; L48-L56 HydrophobicContact CB-CD2 3.55Å; L48-L56 HydrophobicContact CB-CG 4.44Å; L48-L56 HydrophobicContact CD1-CD1 3.99Å; L48-L61 HydrophobicContact CD1-CD2 4.19Å; L48-I64 HydrophobicContact CB-CD1 4.07Å; L48-I64 HydrophobicContact CD2-CD1 3.3Å; L48-I64 HydrophobicContact CD2-CG1 4.49Å; L48-I64 HydrophobicContact CD2-CG2 4.21Å; L48-I64 HydrophobicContact CG-CD1 4.23Å; L48-M79 HydrophobicContact CD1-CE 3.69Å; L48-M79 HydrophobicContact CD2-CE 3.67Å; L48-M79 HydrophobicContact CG-CE 4.38Å; L48-F99 HydrophobicContact CD1-CE2 3.68Å; L48-F99 HydrophobicContact CD1-CZ 3.52Å
49D86.4Confident85Confident11 Ų1160.7 Ų60.76%0.05933%0.334CS..  trans-79.676.6177.7-179.43.4000110F45 N51 E52 D53 G54 L56F45-D49 HydrophobicContact CD1-CB 4.35Å; F45-D49 HydrophobicContact CE1-CB 4.2Å; F45-D49 VanDerWaalsContact O-CB 3.28Å; F45-D49 WeakPolarHBondContact O-CB 3.41Å; F45-D49 PolarHBondContact O-N 2.81Å; D49-N51 PolarHBondContact O-N 3.45Å; D49-N51 PolarHBondContact OD1-OD1 3.31Å; D49-E52 PolarHBondContact O-N 3.31Å; D49-E52 VanDerWaalsContact OD1-CA 3.32Å; D49-E52 WeakPolarHBondContact OD1-CA 3.34Å; D49-E52 PolarHBondContact OD1-N 2.9Å; D49-D53 PolarHBondContact OD1-N 3.07Å; D49-G54 VanDerWaalsContact OD2-CA 3.24Å; D49-G54 WeakPolarHBondContact OD2-CA 3.3Å; D49-G54 PolarHBondContact OD2-N 2.94Å; D49-L56 HydrophobicContact CB-CD2 3.68Å
50G81.8Confident85.2Confident69 Ų6958.4 Ų58.471%0.71131%0.313SS*.THydrogen-bonded Turntrans-69.7-16.7-17400000114.6L48L48-G50 VanDerWaalsContact C-N 3.32Å; L48-G50 PolarHBondContact O-N 3.07Å
51N86.1Confident85.2Confident81 Ų8156.8 Ų56.843%0.43330%0.304SS..THydrogen-bonded Turntrans-102.9-6.5179.773.421.6000113.2D49 D53 E60D49-N51 PolarHBondContact O-N 3.45Å; D49-N51 PolarHBondContact OD1-OD1 3.31Å; N51-D53 VanDerWaalsContact C-N 3.28Å; N51-D53 PolarHBondContact ND2-OD2 3.3Å; N51-D53 PolarHBondContact O-N 3.15Å; N51-D53 WeakPolarHBondContact OD1-CB 3.22Å; N51-D53 PolarHBondContact OD1-N 3.37Å; N51-D53 PolarHBondContact OD1-OD1 2.95Å; N51-D53 PolarHBondContact OD1-OD2 3.16Å; N51-E60 PolarHBondContact ND2-OE1 3.34Å; N51-E60 PolarHBondContact OD1-OE1 2.73Å
52E86.1Confident84.8Confident137 Ų13761 Ų6164%0.6433%0.327SS*.  trans58.131.5-178.7-57.6-169.315000114.1K46 D49 G54K46-E52 VanDerWaalsContact CE-OE1 3.24Å; K46-E52 WeakPolarHBondContact CE-OE1 3.1Å; K46-E52 IonicContact NZ-OE1 3.7Å; D49-E52 PolarHBondContact O-N 3.31Å; D49-E52 VanDerWaalsContact OD1-CA 3.32Å; D49-E52 WeakPolarHBondContact OD1-CA 3.34Å; D49-E52 PolarHBondContact OD1-N 2.9Å; E52-G54 VanDerWaalsContact C-N 3.34Å
53D88.4Confident84.1Confident85 Ų8566.1 Ų66.146%0.45535%0.347SS..SBendtrans-87.8-4.5177.475.515.7000113.5D49 N51 R55D49-D53 PolarHBondContact OD1-N 3.07Å; N51-D53 VanDerWaalsContact C-N 3.28Å; N51-D53 PolarHBondContact ND2-OD2 3.3Å; N51-D53 PolarHBondContact O-N 3.15Å; N51-D53 WeakPolarHBondContact OD1-CB 3.22Å; N51-D53 PolarHBondContact OD1-N 3.37Å; N51-D53 PolarHBondContact OD1-OD1 2.95Å; N51-D53 PolarHBondContact OD1-OD2 3.16Å; D53-R55 WeakPolarHBondContact OD1-CA 3.49Å; D53-R55 VanDerWaalsContact OD1-CB 3.27Å; D53-R55 WeakPolarHBondContact OD1-CB 3.48Å; D53-R55 PolarHBondContact OD1-N 3.26Å
54G85.8Confident83.2Confident33 Ų3365.4 Ų65.434%0.3434%0.337SS..SBendtrans81.714.2178.200000114.3F45 D49 E52F45-G54 WeakPolarHBondContact CZ-O 3.16Å; D49-G54 VanDerWaalsContact OD2-CA 3.24Å; D49-G54 WeakPolarHBondContact OD2-CA 3.3Å; D49-G54 PolarHBondContact OD2-N 2.94Å; E52-G54 VanDerWaalsContact C-N 3.34Å
55R90.6Very high81.9Confident131 Ų13168.8 Ų68.849%0.49436%0.362SS..EExtended strand (participates in β ladder)trans-134.5128.8-177-56-179.6172.6-155.8-8.1109.9D53 H93D53-R55 WeakPolarHBondContact OD1-CA 3.49Å; D53-R55 VanDerWaalsContact OD1-CB 3.27Å; D53-R55 WeakPolarHBondContact OD1-CB 3.48Å; D53-R55 PolarHBondContact OD1-N 3.26Å; R55-H93 HydrophobicContact CB-CB 4.17Å; R55-H93 VanDerWaalsContact CB-CD2 3.46Å; R55-H93 WeakPolarHBondContact CB-CD2 3.45Å; R55-H93 VanDerWaalsContact CD-CD2 3.42Å; R55-H93 WeakPolarHBondContact CD-CD2 3.21Å; R55-H93 WeakPolarHBondContact CD-NE2 3.41Å; R55-H93 WeakPolarHBondContact CG-CD2 3.28Å; R55-H93 PolarHBondContact NE-NE2 3.28Å
56L87.8Confident80.4Confident0 Ų070.2 Ų70.20%037%0.37CS..EExtended strand (participates in β ladder)trans-92.9115.8172.5-57.4176000110.2F45 L48 D49 E60 L61 H93 L94 F99F45-L56 HydrophobicContact CD2-CD1 3.57Å; F45-L56 HydrophobicContact CD2-CG 3.98Å; F45-L56 HydrophobicContact CE2-CD1 3.56Å; F45-L56 HydrophobicContact CE2-CD2 4.39Å; F45-L56 HydrophobicContact CE2-CG 3.54Å; F45-L56 HydrophobicContact CG-CD1 4.49Å; F45-L56 HydrophobicContact CZ-CD1 4.43Å; F45-L56 HydrophobicContact CZ-CG 3.96Å; L48-L56 HydrophobicContact CB-CD1 4.01Å; L48-L56 HydrophobicContact CB-CD2 3.55Å; L48-L56 HydrophobicContact CB-CG 4.44Å; L48-L56 HydrophobicContact CD1-CD1 3.99Å; D49-L56 HydrophobicContact CB-CD2 3.68Å; L56-E60 WeakPolarHBondContact CA-OE2 3.15Å; L56-L61 HydrophobicContact CB-CD2 4.41Å; L56-L61 HydrophobicContact CD1-CD2 4.41Å; L56-H93 CarbonylContact O-C 3.6Å; L56-H93 WeakPolarHBondContact O-CA 3.49Å; L56-L94 HydrophobicContact CB-CB 4.16Å; L56-L94 PolarHBondContact N-O 3.34Å; L56-L94 PolarHBondContact O-N 2.98Å; L56-F99 HydrophobicContact CD1-CD2 3.66Å; L56-F99 HydrophobicContact CD1-CE2 3.57Å; L56-F99 HydrophobicContact CD1-CG 4.46Å; L56-F99 HydrophobicContact CD1-CZ 4.32Å
57I88.8Confident78.5Confident60 Ų6071.3 Ų71.331%0.30838%0.375SS..  trans-106.1164.6175.358.1167.8000112.1D59 E60 L61 H93I57-D59 HydrophobicContact CD1-CB 4.26Å; I57-D59 HydrophobicContact CG1-CB 4.47Å; I57-D59 PolarHBondContact O-N 2.78Å; I57-D59 VanDerWaalsContact O-N 3.16Å; I57-E60 HydrophobicContact CG1-CB 4.45Å; I57-E60 HydrophobicContact CG1-CG 3.86Å; I57-E60 WeakPolarHBondContact CG1-OE2 3.24Å; I57-E60 PolarHBondContact N-OE2 2.95Å; I57-E60 PolarHBondContact O-N 2.84Å; I57-L61 PolarHBondContact O-N 2.82Å; I57-H93 HydrophobicContact CG2-CB 3.77Å
58S85.3Confident76.8Confident48 Ų4872.3 Ų72.334%0.33639%0.385SS..Hα-helixtrans-52.9-40.6-176.9-176.40000112.7E60 L61 D62 Q80 L83S58-E60 VanDerWaalsContact C-N 3.28Å; S58-E60 PolarHBondContact O-N 3.41Å; S58-L61 PolarHBondContact O-N 2.96Å; S58-D62 WeakPolarHBondContact O-CB 3.28Å; S58-D62 PolarHBondContact O-N 3.19Å; S58-Q80 PolarHBondContact OG-NE2 3.27Å; S58-Q80 VanDerWaalsContact OG-NE2 3.16Å; S58-L83 VanDerWaalsContact N-CD1 3.31Å
59D83.9Confident75.2Confident99 Ų9978.9 Ų78.953%0.52942%0.415SS..Hα-helixtrans-64-28.3179-76-4.2000113.9I57 K63I57-D59 HydrophobicContact CD1-CB 4.26Å; I57-D59 HydrophobicContact CG1-CB 4.47Å; I57-D59 PolarHBondContact O-N 2.78Å; I57-D59 VanDerWaalsContact O-N 3.16Å; D59-K63 VanDerWaalsContact O-CD 3.25Å; D59-K63 WeakPolarHBondContact O-CD 3.1Å; D59-K63 WeakPolarHBondContact O-CE 3.35Å; D59-K63 VanDerWaalsContact O-CG 3.23Å; D59-K63 WeakPolarHBondContact O-CG 3.3Å
60E83.5Confident73.6Confident11 Ų1179.8 Ų79.85%0.05142%0.419CS..Hα-helixtrans-82.8-42.1179.4-67.8172.9145.100110.9N51 L56 I57 S58 D62 K63 I64N51-E60 PolarHBondContact ND2-OE1 3.34Å; N51-E60 PolarHBondContact OD1-OE1 2.73Å; L56-E60 WeakPolarHBondContact CA-OE2 3.15Å; I57-E60 HydrophobicContact CG1-CB 4.45Å; I57-E60 HydrophobicContact CG1-CG 3.86Å; I57-E60 WeakPolarHBondContact CG1-OE2 3.24Å; I57-E60 PolarHBondContact N-OE2 2.95Å; I57-E60 PolarHBondContact O-N 2.84Å; S58-E60 VanDerWaalsContact C-N 3.28Å; S58-E60 PolarHBondContact O-N 3.41Å; E60-D62 PolarHBondContact O-N 3.5Å; E60-K63 PolarHBondContact O-N 2.87Å; E60-I64 WeakPolarHBondContact O-CG1 3.45Å
61L81.3Confident72Confident4 Ų484 Ų842%0.02142%0.421CS..Hα-helixtrans-64.4-28.3175-62.3174.5000112L48 L56 I57 S58 M79 L82 L83L48-L61 HydrophobicContact CD1-CD2 4.19Å; L56-L61 HydrophobicContact CB-CD2 4.41Å; L56-L61 HydrophobicContact CD1-CD2 4.41Å; I57-L61 PolarHBondContact O-N 2.82Å; S58-L61 PolarHBondContact O-N 2.96Å; L61-M79 HydrophobicContact CB-CB 4.03Å; L61-M79 HydrophobicContact CD2-CB 4.36Å; L61-M79 HydrophobicContact CD2-CE 4.43Å; L61-L82 HydrophobicContact CD2-CD1 4.46Å; L61-L83 HydrophobicContact CD1-CD1 3.62Å; L61-L83 HydrophobicContact CD1-CG 3.74Å
62D75.7Confident70.3Confident90 Ų9085.7 Ų85.748%0.48144%0.439SS..Hα-helixtrans-75.3-32.8175.8-84.8-13.8000114.9S58 E60 I64 Q80S58-D62 WeakPolarHBondContact O-CB 3.28Å; S58-D62 PolarHBondContact O-N 3.19Å; E60-D62 PolarHBondContact O-N 3.5Å; D62-I64 PolarHBondContact O-N 2.89Å; D62-Q80 WeakPolarHBondContact OD1-CG 3.24Å; D62-Q80 PolarHBondContact OD1-NE2 3.47Å; D62-Q80 PolarHBondContact OD2-NE2 3.49Å
63K69Low68.7Low162 Ų16280.3 Ų80.370%0.70442%0.416SS*.Hα-helixtrans-71-16.2-177.8-75.3165.5-168.5162.50112.3D59 E60 S65D59-K63 VanDerWaalsContact O-CD 3.25Å; D59-K63 WeakPolarHBondContact O-CD 3.1Å; D59-K63 WeakPolarHBondContact O-CE 3.35Å; D59-K63 VanDerWaalsContact O-CG 3.23Å; D59-K63 WeakPolarHBondContact O-CG 3.3Å; E60-K63 PolarHBondContact O-N 2.87Å; K63-S65 PolarHBondContact O-N 2.93Å
64I64.9Low67.1Low28 Ų2884.8 Ų84.814%0.14444%0.439CS..  trans-9285.2-173.1-61.7176.3000108.8Y47 L48 E60 D62 M66Y47-I64 HydrophobicContact CE1-CD1 4.36Å; Y47-I64 HydrophobicContact CE1-CG2 3.99Å; L48-I64 HydrophobicContact CB-CD1 4.07Å; L48-I64 HydrophobicContact CD2-CD1 3.3Å; L48-I64 HydrophobicContact CD2-CG1 4.49Å; L48-I64 HydrophobicContact CD2-CG2 4.21Å; L48-I64 HydrophobicContact CG-CD1 4.23Å; E60-I64 WeakPolarHBondContact O-CG1 3.45Å; D62-I64 PolarHBondContact O-N 2.89Å; I64-M66 VanDerWaalsContact C-N 3.32Å; I64-M66 HydrophobicContact CG2-CG 3.93Å; I64-M66 PolarHBondContact O-N 2.5Å
65S55.7Low65.9Low92 Ų9284.6 Ų84.664%0.64343%0.43SS*.  trans-75.881173.8175.10000110.5K63 K67K63-S65 PolarHBondContact O-N 2.93Å; S65-K67 PolarHBondContact O-N 3.21Å; S65-K67 VanDerWaalsContact O-N 3.12Å; S65-K67 WeakPolarHBondContact OG-CB 3.28Å
66M54.6Low64.9Low42 Ų4283.6 Ų83.621%0.20743%0.431CS..THydrogen-bonded Turntrans-73.715.1163.6-64.2-161.3120.900113L15 M18 I64 E68 Q69 M70L15-M66 HydrophobicContact CD2-SD 3.74Å; M18-M66 HydrophobicContact CE-CB 4.49Å; M18-M66 HydrophobicContact CE-CE 3.15Å; M18-M66 HydrophobicContact CE-CG 4.44Å; M18-M66 HydrophobicContact CE-SD 3.66Å; M18-M66 HydrophobicContact SD-CE 3.72Å; M18-M66 HydrophobicContact SD-SD 3.81Å; I64-M66 VanDerWaalsContact C-N 3.32Å; I64-M66 HydrophobicContact CG2-CG 3.93Å; I64-M66 PolarHBondContact O-N 2.5Å; M66-E68 VanDerWaalsContact C-N 3.3Å; M66-E68 PolarHBondContact O-N 3.47Å; M66-Q69 PolarHBondContact O-N 2.85Å; M66-M70 HydrophobicContact CB-CG 4.36Å; M66-M70 HydrophobicContact CB-SD 3.82Å; M66-M70 PolarHBondContact O-N 3.08Å
67K46.1Very low64.3Low158 Ų15884 Ų8469%0.68743%0.434SS*.Hα-helixtrans-59.8-35.8-170.9-150.5174.9-175.11770112.9S65 E71S65-K67 PolarHBondContact O-N 3.21Å; S65-K67 VanDerWaalsContact O-N 3.12Å; S65-K67 WeakPolarHBondContact OG-CB 3.28Å; K67-E71 WeakPolarHBondContact O-CG 3.47Å
68E47.2Very low63.8Low173 Ų17384.5 Ų84.581%0.80844%0.44SS*.Hα-helixtrans-76.8-20.3-179.1-72.5-176.4161.100114.3M66M66-E68 VanDerWaalsContact C-N 3.3Å; M66-E68 PolarHBondContact O-N 3.47Å
69Q50.9Low63.5Low142 Ų14282.8 Ų82.866%0.66443%0.427SS*.Hα-helixtrans-98.6-17.7177.4-75-169.8-27.300113.6M18 M66M18-Q69 HydrophobicContact CE-CB 3.73Å; M18-Q69 HydrophobicContact CE-CG 4.47Å; M66-Q69 PolarHBondContact O-N 2.85Å
70M51.8Low63.4Low30 Ų3081.4 Ų81.415%0.14842%0.417CS..Hα-helixtrans-95.6-1.7-179.9-69.9174.866.100113.9L11 M66 S72 S73 L75L11-M70 HydrophobicContact CD1-CE 3.44Å; L11-M70 VanDerWaalsContact CD1-CE 3.44Å; L11-M70 HydrophobicContact CD1-SD 4.38Å; M66-M70 HydrophobicContact CB-CG 4.36Å; M66-M70 HydrophobicContact CB-SD 3.82Å; M66-M70 PolarHBondContact O-N 3.08Å; M70-S72 PolarHBondContact O-N 3.1Å; M70-S73 PolarHBondContact O-N 3.27Å; M70-S73 PolarHBondContact O-OG 3.07Å; M70-S73 VanDerWaalsContact O-OG 3.04Å; M70-L75 HydrophobicContact CE-CD1 4.42Å
71E48.2Very low63.4Low159 Ų15981.6 Ų81.674%0.74342%0.418SS*.THydrogen-bonded Turntrans-58.9-17.5-177.9-96.5176.6-171.100114.5K67K67-E71 WeakPolarHBondContact O-CG 3.47Å
72S50.1Low63.5Low116 Ų11681.4 Ų81.481%0.81142%0.417SS*.THydrogen-bonded Turntrans-83.6-10.1175.362.40000114.8M70M70-S72 PolarHBondContact O-N 3.1Å
73S54Low63.9Low23 Ų2378.4 Ų78.416%0.16140%0.401CS..SBendtrans-124.597.6-174.735.50000109M70 L75M70-S73 PolarHBondContact O-N 3.27Å; M70-S73 PolarHBondContact O-OG 3.07Å; M70-S73 VanDerWaalsContact O-OG 3.04Å; S73-L75 PolarHBondContact O-N 3.05Å
74L53.9Low64.6Low179 Ų17977.9 Ų77.994%0.93740%0.395SS*.  trans-53.168.9173.1-71.6144000112.7
75L60.8Low65.5Low29 Ų2979 Ų7915%0.15240%0.397CS..  trans-104.5123.2177.5-74.9166.5000107.8E7 K10 M70 S73 C77E7-L75 HydrophobicContact CB-CD2 3.75Å; E7-L75 HydrophobicContact CG-CD2 4.22Å; E7-L75 WeakPolarHBondContact O-CD2 3.44Å; K10-L75 HydrophobicContact CB-CD2 4.14Å; K10-L75 HydrophobicContact CD-CD2 4.11Å; K10-L75 HydrophobicContact CG-CD1 4.38Å; K10-L75 HydrophobicContact CG-CD2 4.34Å; M70-L75 HydrophobicContact CE-CD1 4.42Å; S73-L75 PolarHBondContact O-N 3.05Å; L75-C77 PolarHBondContact O-N 3.38Å
76E70.4Confident66.9Low111 Ų11174.6 Ų74.652%0.51937%0.367SS..  trans-772.3170.5-64.1-166.4154.600112.7S1S1-E76 WeakPolarHBondContact CB-OE2 3.42Å; S1-E76 PolarHBondContact OG-OE1 3.39Å; S1-E76 PolarHBondContact OG-OE2 3.02Å
77C73.5Confident68.2Low8 Ų873.7 Ų73.75%0.05436%0.363CS..  trans-87.5145.9-177.8-55.10000112.8C3 E7 L11 L75 D81C3-C77 HydrophobicContact CB-CB 3.76Å; C3-C77 WeakPolarHBondContact CB-SG 3.28Å; C3-C77 WeakPolarHBondContact SG-CB 3.46Å; C3-C77 CovalentContact SG-SG 2.01Å; C3-C77 PolarHBondContact SG-SG 3.34Å; E7-C77 VanDerWaalsContact C-SG 3.59Å; E7-C77 WeakPolarHBondContact CB-SG 3.42Å; L11-C77 HydrophobicContact CB-CB 4.49Å; L11-C77 HydrophobicContact CD2-CB 4.11Å; L75-C77 PolarHBondContact O-N 3.38Å; C77-D81 WeakPolarHBondContact CA-OD2 3.23Å
78T79.3Confident69.5Low70 Ų7069 Ų6943%0.42934%0.341SS..  trans-119.5166.7177.964.90000110.7L11 Q80 D81L11-T78 WeakPolarHBondContact CD2-O 3.27Å; T78-Q80 PolarHBondContact O-N 2.85Å; T78-D81 PolarHBondContact N-OD2 2.86Å; T78-D81 WeakPolarHBondContact O-CB 3.41Å; T78-D81 PolarHBondContact O-N 3.28Å; T78-D81 PolarHBondContact OG1-OD2 3Å
79M78.6Confident71Confident13 Ų1365.4 Ų65.46%0.06433%0.328CS..THydrogen-bonded Turntrans-60.7-26174.7-69-59.8-71.300112.7L15 L48 L61 D81 L82L15-M79 HydrophobicContact CD1-CE 3.97Å; L15-M79 HydrophobicContact CD1-SD 3.77Å; L15-M79 HydrophobicContact CD2-CE 4.06Å; L15-M79 HydrophobicContact CD2-SD 3.77Å; L15-M79 HydrophobicContact CG-SD 4.34Å; L48-M79 HydrophobicContact CD1-CE 3.69Å; L48-M79 HydrophobicContact CD2-CE 3.67Å; L48-M79 HydrophobicContact CG-CE 4.38Å; L61-M79 HydrophobicContact CB-CB 4.03Å; L61-M79 HydrophobicContact CD2-CB 4.36Å; L61-M79 HydrophobicContact CD2-CE 4.43Å; M79-D81 PolarHBondContact O-N 2.85Å; M79-L82 HydrophobicContact CE-CD1 3.66Å; M79-L82 WeakPolarHBondContact O-CB 3.14Å; M79-L82 PolarHBondContact O-N 2.92Å; M79-L82 VanDerWaalsContact O-N 3.13Å; M79-L82 HydrophobicContact SD-CD1 4.45Å
80Q81.1Confident72.4Confident70 Ų7065.5 Ų65.533%0.32733%0.333SS..THydrogen-bonded Turntrans-61.9-24174-61.4-171.4-31.800113.2S58 D62 T78 L82 L83 R84S58-Q80 PolarHBondContact OG-NE2 3.27Å; S58-Q80 VanDerWaalsContact OG-NE2 3.16Å; D62-Q80 WeakPolarHBondContact OD1-CG 3.24Å; D62-Q80 PolarHBondContact OD1-NE2 3.47Å; D62-Q80 PolarHBondContact OD2-NE2 3.49Å; T78-Q80 PolarHBondContact O-N 2.85Å; Q80-L82 PolarHBondContact O-N 2.83Å; Q80-L83 PolarHBondContact O-N 3.42Å; Q80-L83 VanDerWaalsContact O-N 3.11Å; Q80-R84 PolarHBondContact O-N 2.91Å
81D84.7Confident74Confident15 Ų1567.6 Ų67.68%0.0834%0.344CS..Hα-helixtrans-66.5-15.7177.9-68-64.7000111.8C3 Y8 C77 T78 M79 R84 Y85C3-D81 HydrophobicContact CB-CB 4.4Å; C3-D81 WeakPolarHBondContact CB-OD2 3.18Å; Y8-D81 HydrophobicContact CD2-CB 4.01Å; Y8-D81 HydrophobicContact CE2-CB 4.1Å; Y8-D81 WeakPolarHBondContact CE2-O 3.46Å; C77-D81 WeakPolarHBondContact CA-OD2 3.23Å; T78-D81 PolarHBondContact N-OD2 2.86Å; T78-D81 WeakPolarHBondContact O-CB 3.41Å; T78-D81 PolarHBondContact O-N 3.28Å; T78-D81 PolarHBondContact OG1-OD2 3Å; M79-D81 PolarHBondContact O-N 2.85Å; D81-R84 PolarHBondContact O-N 3.08Å; D81-Y85 HydrophobicContact CB-CD2 4.15Å; D81-Y85 HydrophobicContact CB-CE2 4.29Å; D81-Y85 VanDerWaalsContact O-CD2 3.24Å; D81-Y85 WeakPolarHBondContact O-CD2 3.22Å; D81-Y85 PolarHBondContact O-N 2.9Å; D81-Y85 VanDerWaalsContact O-N 3.11Å
82L82.9Confident75.9Confident0 Ų062.3 Ų62.30%033%0.333CS..Hα-helixtrans-61.6-47.4168.9-70170.6000111.6Y8 L61 M79 Q80 R84 Y85 D86 L94 F99 F103Y8-L82 HydrophobicContact CE2-CD2 4.11Å; L61-L82 HydrophobicContact CD2-CD1 4.46Å; M79-L82 HydrophobicContact CE-CD1 3.66Å; M79-L82 WeakPolarHBondContact O-CB 3.14Å; M79-L82 PolarHBondContact O-N 2.92Å; M79-L82 VanDerWaalsContact O-N 3.13Å; M79-L82 HydrophobicContact SD-CD1 4.45Å; Q80-L82 PolarHBondContact O-N 2.83Å; L82-R84 PolarHBondContact O-N 3.48Å; L82-Y85 PolarHBondContact O-N 2.86Å; L82-D86 WeakPolarHBondContact O-CA 3.5Å; L82-D86 WeakPolarHBondContact O-CB 3.47Å; L82-D86 PolarHBondContact O-N 3.32Å; L82-L94 HydrophobicContact CB-CD1 3.62Å; L82-F99 HydrophobicContact CD1-CE2 4.12Å; L82-F103 HydrophobicContact CD2-CE2 4.39Å; L82-F103 HydrophobicContact CD2-CZ 4.33Å
83L85.1Confident77.7Confident27 Ų2757.8 Ų57.814%0.14130%0.299CS..Hα-helixtrans-62.3-35.5175.1-79.6164.6000111.6S58 L61 Q80 Y85 D87 H93 L94S58-L83 VanDerWaalsContact N-CD1 3.31Å; L61-L83 HydrophobicContact CD1-CD1 3.62Å; L61-L83 HydrophobicContact CD1-CG 3.74Å; Q80-L83 PolarHBondContact O-N 3.42Å; Q80-L83 VanDerWaalsContact O-N 3.11Å; L83-Y85 VanDerWaalsContact C-N 3.34Å; L83-Y85 PolarHBondContact O-N 2.98Å; L83-D87 HydrophobicContact CD2-CB 4.46Å; L83-D87 WeakPolarHBondContact O-CB 3.17Å; L83-D87 PolarHBondContact O-N 2.93Å; L83-H93 VanDerWaalsContact CD2-CA 3.48Å; L83-L94 HydrophobicContact CD2-CD1 4.45Å; L83-L94 HydrophobicContact CD2-CD2 4.21Å; L83-L94 HydrophobicContact CD2-CG 3.7Å; L83-L94 HydrophobicContact CG-CD1 4.41Å; L83-L94 HydrophobicContact CG-CG 4.17Å
84R83.3Confident79.4Confident151 Ų15156.7 Ų56.757%0.5729%0.291SS*.Hα-helixtrans-67.4-34.7-179-175.6178.2178.8172.31113.4Q80 D81 L82Q80-R84 PolarHBondContact O-N 2.91Å; D81-R84 PolarHBondContact O-N 3.08Å; L82-R84 PolarHBondContact O-N 3.48Å
85Y82.7Confident81Confident50 Ų5049.9 Ų49.920%0.19626%0.258CS..Hα-helixtrans-110.8-17-170.3-72.6-63.2000114.1C3 M5 Y8 D81 L82 L83 Y185C3-Y85 PolarHBondContact O-OH 2.98Å; M5-Y85 HydrophobicContact CE-CD1 3.72Å; M5-Y85 HydrophobicContact CE-CE1 3.87Å; Y8-Y85 AromaticContact CD1-CD2 3.94Å; Y8-Y85 HydrophobicContact CD1-CD2 3.94Å; Y8-Y85 HydrophobicContact CD1-CG 4.17Å; Y8-Y85 AromaticContact CD2-CD2 3.68Å; Y8-Y85 HydrophobicContact CD2-CD2 3.68Å; Y8-Y85 HydrophobicContact CD2-CE2 4.22Å; Y8-Y85 AromaticContact CE1-CD2 3.98Å; Y8-Y85 HydrophobicContact CE1-CD2 3.98Å; Y8-Y85 AromaticContact CE1-CG 3.95Å; Y8-Y85 HydrophobicContact CE1-CG 3.95Å; Y8-Y85 AromaticContact CE2-CD2 3.77Å; Y8-Y85 HydrophobicContact CE2-CD2 3.77Å; Y8-Y85 HydrophobicContact CE2-CG 4.42Å; Y8-Y85 AromaticContact CG-CD2 3.74Å; Y8-Y85 HydrophobicContact CG-CD2 3.74Å; Y8-Y85 HydrophobicContact CG-CE2 4.13Å; Y8-Y85 HydrophobicContact CG-CG 4.43Å; Y8-Y85 VanDerWaalsContact CZ-CB 3.49Å; Y8-Y85 AromaticContact CZ-CD2 3.87Å; Y8-Y85 WeakPolarHBondContact OH-CB 2.97Å; D81-Y85 HydrophobicContact CB-CD2 4.15Å; D81-Y85 HydrophobicContact CB-CE2 4.29Å; D81-Y85 VanDerWaalsContact O-CD2 3.24Å; D81-Y85 WeakPolarHBondContact O-CD2 3.22Å; D81-Y85 PolarHBondContact O-N 2.9Å; D81-Y85 VanDerWaalsContact O-N 3.11Å; L82-Y85 PolarHBondContact O-N 2.86Å; L83-Y85 VanDerWaalsContact C-N 3.34Å; L83-Y85 PolarHBondContact O-N 2.98Å; Y85-Y185 PolarHBondContact O-OH 3.18Å
86D85.4Confident82.1Confident1 Ų151.4 Ų51.41%0.00527%0.266CS..Hα-helixtrans-125.80.6-175.6-63.8-44.4000115.4Y8 K12 L82 Y88 L94 E98 A102Y8-D86 VanDerWaalsContact OH-CG 3.23Å; Y8-D86 PolarHBondContact OH-OD2 2.8Å; K12-D86 WeakPolarHBondContact CE-OD2 3.45Å; K12-D86 VanDerWaalsContact NZ-CG 3.27Å; K12-D86 IonicContact NZ-OD1 3.01Å; K12-D86 PolarHBondContact NZ-OD1 2.78Å; K12-D86 IonicContact NZ-OD2 2.72Å; K12-D86 PolarHBondContact NZ-OD2 2.8Å; L82-D86 WeakPolarHBondContact O-CA 3.5Å; L82-D86 WeakPolarHBondContact O-CB 3.47Å; L82-D86 PolarHBondContact O-N 3.32Å; D86-Y88 HydrophobicContact CB-CE1 4.41Å; D86-Y88 PolarHBondContact O-N 3.03Å; D86-Y88 PolarHBondContact OD1-OH 3.22Å; D86-L94 HydrophobicContact CB-CD2 4Å; D86-L94 WeakPolarHBondContact O-CD2 3.25Å; D86-E98 WeakPolarHBondContact O-CB 3.26Å; D86-A102 HydrophobicContact CB-CB 4.02Å; D86-A102 WeakPolarHBondContact OD2-CB 3.47Å
87D83.1Confident82.5Confident22 Ų2249.2 Ų49.212%0.11826%0.256CS..  trans-79.395.6167.9177.2-4.2000108.6L83 N89 N90 D91 G92 L94L83-D87 HydrophobicContact CD2-CB 4.46Å; L83-D87 WeakPolarHBondContact O-CB 3.17Å; L83-D87 PolarHBondContact O-N 2.93Å; D87-N89 PolarHBondContact OD1-OD1 2.81Å; D87-N90 WeakPolarHBondContact OD1-CA 3.42Å; D87-N90 PolarHBondContact OD1-N 2.89Å; D87-D91 PolarHBondContact OD1-N 2.92Å; D87-D91 VanDerWaalsContact OD1-N 3.12Å; D87-D91 PolarHBondContact OD2-N 2.84Å; D87-G92 WeakPolarHBondContact OD2-CA 3.42Å; D87-G92 PolarHBondContact OD2-N 2.87Å; D87-L94 HydrophobicContact CB-CD2 3.97Å; D87-L94 VanDerWaalsContact N-CD2 3.35Å
88Y72.7Confident82.9Confident59 Ų5949.2 Ų49.223%0.23126%0.255CS..SBendtrans-85-31.7-167-60.4-47.8000112.9D86 N90 E98 T101 P140 Y185D86-Y88 HydrophobicContact CB-CE1 4.41Å; D86-Y88 PolarHBondContact O-N 3.03Å; D86-Y88 PolarHBondContact OD1-OH 3.22Å; Y88-N90 VanDerWaalsContact C-N 3.27Å; Y88-E98 HydrophobicContact CD2-CB 4.37Å; Y88-E98 HydrophobicContact CD2-CG 3.7Å; Y88-E98 HydrophobicContact CE2-CB 4.35Å; Y88-E98 HydrophobicContact CE2-CG 4.17Å; Y88-E98 PolarHBondContact N-OE1 3.25Å; Y88-T101 HydrophobicContact CE2-CG2 3.67Å; Y88-P140 HydrophobicContact CD2-CG 4.05Å; Y88-P140 HydrophobicContact CG-CG 4.15Å; Y88-Y185 HydrophobicContact CD1-CE1 4.39Å; Y88-Y185 AromaticContact CE1-CD1 3.61Å; Y88-Y185 HydrophobicContact CE1-CD1 3.61Å; Y88-Y185 HydrophobicContact CE1-CD2 4.35Å; Y88-Y185 AromaticContact CE1-CE1 3.22Å; Y88-Y185 HydrophobicContact CE1-CE1 3.22Å; Y88-Y185 HydrophobicContact CE1-CE2 4.06Å; Y88-Y185 HydrophobicContact CE1-CG 4.18Å; Y88-Y185 AromaticContact CE1-CZ 3.47Å; Y88-Y185 VanDerWaalsContact CE1-CZ 3.47Å; Y88-Y185 HydrophobicContact CE2-CD1 4.4Å; Y88-Y185 AromaticContact CZ-CD1 3.5Å; Y88-Y185 AromaticContact CZ-CE1 3.38Å; Y88-Y185 VanDerWaalsContact OH-CD1 3.31Å; Y88-Y185 WeakPolarHBondContact OH-CD1 3.29Å; Y88-Y185 WeakPolarHBondContact OH-CE1 3.42Å
89N77.9Confident83.2Confident99 Ų9945.9 Ų45.953%0.52924%0.235SC..SBendtrans-88-1.8175.967.75.5000112D87 D91D87-N89 PolarHBondContact OD1-OD1 2.81Å; N89-D91 VanDerWaalsContact CG-CG 3.44Å; N89-D91 VanDerWaalsContact ND2-CG 3.34Å; N89-D91 PolarHBondContact ND2-OD2 2.77Å; N89-D91 PolarHBondContact O-N 2.77Å; N89-D91 VanDerWaalsContact OD1-CB 3.29Å; N89-D91 WeakPolarHBondContact OD1-CB 3.35Å; N89-D91 PolarHBondContact OD1-N 2.88Å; N89-D91 PolarHBondContact OD1-OD1 3.39Å; N89-D91 PolarHBondContact OD1-OD2 3.07Å
90N81.1Confident83.3Confident144 Ų14446 Ų4677%0.7723%0.234SC*.  trans54.740.9177.4-170.267.1000111.5D87 Y88D87-N90 WeakPolarHBondContact OD1-CA 3.42Å; D87-N90 PolarHBondContact OD1-N 2.89Å; Y88-N90 VanDerWaalsContact C-N 3.27Å
91D85.6Confident83Confident74 Ų7442.7 Ų42.740%0.39622%0.219SC..SBendtrans-94.3-1.5-178.774.613.4000113.2D87 N89 H93D87-D91 PolarHBondContact OD1-N 2.92Å; D87-D91 VanDerWaalsContact OD1-N 3.12Å; D87-D91 PolarHBondContact OD2-N 2.84Å; N89-D91 VanDerWaalsContact CG-CG 3.44Å; N89-D91 VanDerWaalsContact ND2-CG 3.34Å; N89-D91 PolarHBondContact ND2-OD2 2.77Å; N89-D91 PolarHBondContact O-N 2.77Å; N89-D91 VanDerWaalsContact OD1-CB 3.29Å; N89-D91 WeakPolarHBondContact OD1-CB 3.35Å; N89-D91 PolarHBondContact OD1-N 2.88Å; N89-D91 PolarHBondContact OD1-OD1 3.39Å; N89-D91 PolarHBondContact OD1-OD2 3.07Å; D91-H93 IonicContact OD1-CE1 3.15Å; D91-H93 PolarHBondContact OD1-CE1 2.83Å; D91-H93 IonicContact OD1-CG 3.92Å; D91-H93 PolarHBondContact OD1-N 2.01Å; D91-H93 VanDerWaalsContact OD1-N 3.14Å; D91-H93 IonicContact OD1-ND1 3.93Å; D91-H93 PolarHBondContact OD1-ND1 3.27Å; D91-H93 IonicContact OD1-NE2 3.8Å; D91-H93 IonicContact OD2-CE1 2.69Å; D91-H93 PolarHBondContact OD2-CE1 2.76Å; D91-H93 IonicContact OD2-ND1 3.42Å; D91-H93 PolarHBondContact OD2-ND1 3.05Å; D91-H93 IonicContact OD2-NE2 3.1Å
92G86.8Confident82.7Confident48 Ų4842.3 Ų42.350%0.49522%0.218SC..SBendtrans908.817300000115.1D87D87-G92 WeakPolarHBondContact OD2-CA 3.42Å; D87-G92 PolarHBondContact OD2-N 2.87Å
93H89.6Confident82.6Confident21 Ų2142.5 Ų42.510%0.09722%0.219CC..SBendtrans-141.5160.3174.666-75.1000111.8R55 L56 I57 L83 D91R55-H93 HydrophobicContact CB-CB 4.17Å; R55-H93 VanDerWaalsContact CB-CD2 3.46Å; R55-H93 WeakPolarHBondContact CB-CD2 3.45Å; R55-H93 VanDerWaalsContact CD-CD2 3.42Å; R55-H93 WeakPolarHBondContact CD-CD2 3.21Å; R55-H93 WeakPolarHBondContact CD-NE2 3.41Å; R55-H93 WeakPolarHBondContact CG-CD2 3.28Å; R55-H93 PolarHBondContact NE-NE2 3.28Å; L56-H93 CarbonylContact O-C 3.6Å; L56-H93 WeakPolarHBondContact O-CA 3.49Å; I57-H93 HydrophobicContact CG2-CB 3.77Å; L83-H93 VanDerWaalsContact CD2-CA 3.48Å; D91-H93 IonicContact OD1-CE1 3.15Å; D91-H93 PolarHBondContact OD1-CE1 2.83Å; D91-H93 IonicContact OD1-CG 3.92Å; D91-H93 PolarHBondContact OD1-N 2.01Å; D91-H93 VanDerWaalsContact OD1-N 3.14Å; D91-H93 IonicContact OD1-ND1 3.93Å; D91-H93 PolarHBondContact OD1-ND1 3.27Å; D91-H93 IonicContact OD1-NE2 3.8Å; D91-H93 IonicContact OD2-CE1 2.69Å; D91-H93 PolarHBondContact OD2-CE1 2.76Å; D91-H93 IonicContact OD2-ND1 3.42Å; D91-H93 PolarHBondContact OD2-ND1 3.05Å; D91-H93 IonicContact OD2-NE2 3.1Å
94L88.7Confident82Confident0 Ų045.5 Ų45.50%023%0.232CC..EExtended strand (participates in β ladder)trans-100.2121169.7-57.9170.6000110L56 L82 L83 D86 D87 E98 F99L56-L94 HydrophobicContact CB-CB 4.16Å; L56-L94 PolarHBondContact N-O 3.34Å; L56-L94 PolarHBondContact O-N 2.98Å; L82-L94 HydrophobicContact CB-CD1 3.62Å; L83-L94 HydrophobicContact CD2-CD1 4.45Å; L83-L94 HydrophobicContact CD2-CD2 4.21Å; L83-L94 HydrophobicContact CD2-CG 3.7Å; L83-L94 HydrophobicContact CG-CD1 4.41Å; L83-L94 HydrophobicContact CG-CG 4.17Å; D86-L94 HydrophobicContact CB-CD2 4Å; D86-L94 WeakPolarHBondContact O-CD2 3.25Å; D87-L94 HydrophobicContact CB-CD2 3.97Å; D87-L94 VanDerWaalsContact N-CD2 3.35Å; L94-E98 HydrophobicContact CD2-CB 4.29Å; L94-F99 HydrophobicContact CD1-CD2 4.4Å
95S88.4Confident81.5Confident35 Ų3538.8 Ų38.825%0.24521%0.208CC..EExtended strand (participates in β ladder)trans-72.3160.4164.765.50000111.5H97 E98 F99S95-H97 PolarHBondContact O-N 2Å; S95-H97 VanDerWaalsContact O-N 3.14Å; S95-E98 WeakPolarHBondContact CB-OE2 3.03Å; S95-E98 PolarHBondContact N-OE2 3.18Å; S95-E98 PolarHBondContact O-N 3.19Å; S95-E98 WeakPolarHBondContact OG-CG 3.3Å; S95-E98 PolarHBondContact OG-N 3.25Å; S95-E98 PolarHBondContact OG-OE2 2.94Å; S95-F99 WeakPolarHBondContact O-CB 3.24Å; S95-F99 PolarHBondContact O-N 3.33Å
96L83.6Confident80.9Confident61 Ų6136.6 Ų36.632%0.31920%0.2SC..Hα-helixtrans-55.5-31.2171.3-179.263.5000112.2F45 Y100F45-L96 HydrophobicContact CB-CD1 3.81Å; F45-L96 HydrophobicContact CD1-CB 4.4Å; F45-L96 HydrophobicContact CD1-CD1 3.74Å; F45-L96 HydrophobicContact CD2-CD1 3.99Å; F45-L96 HydrophobicContact CE1-CB 4.11Å; F45-L96 HydrophobicContact CE1-CD1 4.31Å; F45-L96 HydrophobicContact CE2-CB 4.29Å; F45-L96 HydrophobicContact CG-CD1 3.55Å; F45-L96 HydrophobicContact CZ-CB 4.04Å; L96-Y100 HydrophobicContact CD1-CD1 4.24Å; L96-Y100 HydrophobicContact CD1-CE1 3.82Å; L96-Y100 HydrophobicContact CD1-CE2 4.43Å; L96-Y100 HydrophobicContact CD2-CE2 4.27Å; L96-Y100 HydrophobicContact CG-CD2 4.38Å; L96-Y100 HydrophobicContact CG-CE1 4.3Å; L96-Y100 HydrophobicContact CG-CE2 4.02Å; L96-Y100 PolarHBondContact O-N 3.29Å
97H77.5Confident80.2Confident66 Ų6641.4 Ų41.431%0.30622%0.222SC..Hα-helixtrans-68.5-48177.8179.471.1000112.2S95 F99 Y100 T101S95-H97 PolarHBondContact O-N 2Å; S95-H97 VanDerWaalsContact O-N 3.14Å; H97-F99 VanDerWaalsContact C-N 3.26Å; H97-F99 PolarHBondContact O-N 2.82Å; H97-Y100 PolarHBondContact O-N 3.46Å; H97-T101 PolarHBondContact O-N 3.32Å; H97-T101 VanDerWaalsContact O-N 3.1Å; H97-T101 PolarHBondContact O-OG1 2.99Å
98E82.3Confident80.1Confident8 Ų841.6 Ų41.64%0.03722%0.223CC..Hα-helixtrans-60.9-39.6174.1-74.9160.913900111.1D86 Y88 L94 S95 T101 A102D86-E98 WeakPolarHBondContact O-CB 3.26Å; Y88-E98 HydrophobicContact CD2-CB 4.37Å; Y88-E98 HydrophobicContact CD2-CG 3.7Å; Y88-E98 HydrophobicContact CE2-CB 4.35Å; Y88-E98 HydrophobicContact CE2-CG 4.17Å; Y88-E98 PolarHBondContact N-OE1 3.25Å; L94-E98 HydrophobicContact CD2-CB 4.29Å; S95-E98 WeakPolarHBondContact CB-OE2 3.03Å; S95-E98 PolarHBondContact N-OE2 3.18Å; S95-E98 PolarHBondContact O-N 3.19Å; S95-E98 WeakPolarHBondContact OG-CG 3.3Å; S95-E98 PolarHBondContact OG-N 3.25Å; S95-E98 PolarHBondContact OG-OE2 2.94Å; E98-T101 WeakPolarHBondContact O-CB 3.39Å; E98-T101 PolarHBondContact O-N 2.79Å; E98-A102 WeakPolarHBondContact O-CB 3.26Å; E98-A102 PolarHBondContact O-N 3.36Å
99F85.4Confident80.6Confident0 Ų041.8 Ų41.80%023%0.233CC..Hα-helixtrans-66.4-38.9176.7-158.6-103.1000113.4V41 M44 F45 L48 L56 L82 L94 S95 H97 T101 A102 F103V41-F99 HydrophobicContact CG1-CD1 3.52Å; V41-F99 HydrophobicContact CG1-CE1 3.7Å; M44-F99 HydrophobicContact CB-CE1 4.33Å; M44-F99 HydrophobicContact CE-CE1 3.57Å; M44-F99 HydrophobicContact CE-CZ 3.6Å; M44-F99 HydrophobicContact CG-CE1 4.22Å; M44-F99 HydrophobicContact CG-CZ 3.97Å; M44-F99 HydrophobicContact SD-CZ 4.27Å; F45-F99 HydrophobicContact CB-CD1 3.73Å; F45-F99 HydrophobicContact CB-CE1 3.74Å; F45-F99 HydrophobicContact CB-CG 4.49Å; F45-F99 HydrophobicContact CD2-CB 3.55Å; F45-F99 AromaticContact CD2-CD1 3.53Å; F45-F99 HydrophobicContact CD2-CD1 3.53Å; F45-F99 AromaticContact CD2-CD2 3.91Å; F45-F99 HydrophobicContact CD2-CD2 3.91Å; F45-F99 HydrophobicContact CD2-CE1 4.09Å; F45-F99 HydrophobicContact CD2-CE2 4.42Å; F45-F99 AromaticContact CD2-CG 3.42Å; F45-F99 HydrophobicContact CD2-CG 3.42Å; F45-F99 VanDerWaalsContact CD2-CG 3.42Å; F45-F99 HydrophobicContact CE2-CB 3.84Å; F45-F99 HydrophobicContact CE2-CD2 4.43Å; F45-F99 HydrophobicContact CE2-CG 4.1Å; F45-F99 HydrophobicContact CG-CD1 4.11Å; F45-F99 HydrophobicContact CG-CE1 4.45Å; F45-F99 HydrophobicContact CG-CG 4.41Å; L48-F99 HydrophobicContact CD1-CE2 3.68Å; L48-F99 HydrophobicContact CD1-CZ 3.52Å; L56-F99 HydrophobicContact CD1-CD2 3.66Å; L56-F99 HydrophobicContact CD1-CE2 3.57Å; L56-F99 HydrophobicContact CD1-CG 4.46Å; L56-F99 HydrophobicContact CD1-CZ 4.32Å; L82-F99 HydrophobicContact CD1-CE2 4.12Å; L94-F99 HydrophobicContact CD1-CD2 4.4Å; S95-F99 WeakPolarHBondContact O-CB 3.24Å; S95-F99 PolarHBondContact O-N 3.33Å; H97-F99 VanDerWaalsContact C-N 3.26Å; H97-F99 PolarHBondContact O-N 2.82Å; F99-T101 VanDerWaalsContact C-N 3.32Å; F99-T101 PolarHBondContact O-N 3.23Å; F99-A102 WeakPolarHBondContact O-CB 3.44Å; F99-A102 PolarHBondContact O-N 2.83Å; F99-F103 HydrophobicContact CD1-CD2 4.05Å; F99-F103 HydrophobicContact CD1-CE2 4.2Å; F99-F103 HydrophobicContact CD2-CD2 4.49Å; F99-F103 HydrophobicContact CD2-CE2 4.06Å; F99-F103 AromaticContact CE1-CD2 3.93Å; F99-F103 HydrophobicContact CE1-CD2 3.93Å; F99-F103 AromaticContact CE1-CE2 3.77Å; F99-F103 HydrophobicContact CE1-CE2 3.77Å; F99-F103 HydrophobicContact CE2-CD2 4.38Å; F99-F103 AromaticContact CE2-CE2 3.62Å; F99-F103 HydrophobicContact CE2-CE2 3.62Å; F99-F103 HydrophobicContact CG-CD2 4.34Å; F99-F103 HydrophobicContact CG-CE2 4.34Å; F99-F103 HydrophobicContact CZ-CD2 4.09Å; F99-F103 AromaticContact CZ-CE2 3.45Å; F99-F103 HydrophobicContact CZ-CE2 3.45Å; F99-F103 VanDerWaalsContact CZ-CE2 3.45Å; F99-F103 HydrophobicContact CZ-CZ 4.25Å; F99-F103 VanDerWaalsContact O-CD2 3.32Å; F99-F103 WeakPolarHBondContact O-CD2 3.46Å; F99-F103 PolarHBondContact O-N 3.24Å
100Y81.6Confident81.2Confident14 Ų1438.1 Ų38.16%0.05521%0.213CC..Hα-helixtrans-64.4-38172.3-75.5-24.6000112.9R38 V41 D42 L96 H97 Q104 V105 L137R38-Y100 HydrophobicContact CG-CE1 4.34Å; R38-Y100 PolarHBondContact NE-OH 2.76Å; V41-Y100 HydrophobicContact CG1-CD1 3.78Å; V41-Y100 HydrophobicContact CG1-CE1 4.26Å; D42-Y100 WeakPolarHBondContact OD1-CE1 3.34Å; D42-Y100 PolarHBondContact OD1-OH 3.15Å; D42-Y100 PolarHBondContact OD2-OH 2.79Å; L96-Y100 HydrophobicContact CD1-CD1 4.24Å; L96-Y100 HydrophobicContact CD1-CE1 3.82Å; L96-Y100 HydrophobicContact CD1-CE2 4.43Å; L96-Y100 HydrophobicContact CD2-CE2 4.27Å; L96-Y100 HydrophobicContact CG-CD2 4.38Å; L96-Y100 HydrophobicContact CG-CE1 4.3Å; L96-Y100 HydrophobicContact CG-CE2 4.02Å; L96-Y100 PolarHBondContact O-N 3.29Å; H97-Y100 PolarHBondContact O-N 3.46Å; Y100-Q104 PolarHBondContact O-N 2.82Å; Y100-Q104 VanDerWaalsContact O-N 3.15Å; Y100-V105 HydrophobicContact CD1-CB 4.21Å; Y100-V105 HydrophobicContact CD1-CG1 4.11Å; Y100-V105 HydrophobicContact CD1-CG2 4.5Å; Y100-V105 HydrophobicContact CE1-CG1 4.44Å; Y100-V105 HydrophobicContact CG-CB 4.44Å; Y100-V105 PolarHBondContact O-N 2.71Å; Y100-L137 HydrophobicContact CD2-CD1 3.6Å; Y100-L137 HydrophobicContact CE2-CD1 4.05Å
101T75.4Confident81.6Confident1 Ų133.7 Ų33.71%0.00620%0.197CC..Hα-helixtrans-63.7-46.6174.7-60.90000110.7Y88 H97 E98 F99 F103 Q104 P139 Y185Y88-T101 HydrophobicContact CE2-CG2 3.67Å; H97-T101 PolarHBondContact O-N 3.32Å; H97-T101 VanDerWaalsContact O-N 3.1Å; H97-T101 PolarHBondContact O-OG1 2.99Å; E98-T101 WeakPolarHBondContact O-CB 3.39Å; E98-T101 PolarHBondContact O-N 2.79Å; F99-T101 VanDerWaalsContact C-N 3.32Å; F99-T101 PolarHBondContact O-N 3.23Å; T101-F103 PolarHBondContact O-N 2.95Å; T101-F103 VanDerWaalsContact O-N 3.16Å; T101-Q104 PolarHBondContact O-N 3.22Å; T101-P139 HydrophobicContact CG2-CB 3.6Å; T101-P139 HydrophobicContact CG2-CG 4.4Å; T101-Y185 HydrophobicContact CG2-CD1 4.12Å
102A78.5Confident81.7Confident7 Ų736.2 Ų36.26%0.05821%0.206CC..Hα-helixtrans-51.4-40.2178.100000113.2K12 D86 E98 F99K12-A102 WeakPolarHBondContact CD-O 3.16Å; K12-A102 VanDerWaalsContact CE-O 3.32Å; K12-A102 WeakPolarHBondContact CE-O 3.49Å; K12-A102 PolarHBondContact NZ-O 3.13Å; D86-A102 HydrophobicContact CB-CB 4.02Å; D86-A102 WeakPolarHBondContact OD2-CB 3.47Å; E98-A102 WeakPolarHBondContact O-CB 3.26Å; E98-A102 PolarHBondContact O-N 3.36Å; F99-A102 WeakPolarHBondContact O-CB 3.44Å; F99-A102 PolarHBondContact O-N 2.83Å
103F80Confident81.9Confident5 Ų539.4 Ų39.42%0.02221%0.212CC..THydrogen-bonded Turntrans-99.89.7-178.6-70.7-81.1000114K12 L15 L16 K37 V41 M44 L82 F99 T101 V105K12-F103 HydrophobicContact CB-CE1 4.16Å; K12-F103 HydrophobicContact CG-CE1 4.21Å; K12-F103 HydrophobicContact CG-CZ 4.49Å; L15-F103 HydrophobicContact CB-CE1 4.09Å; L15-F103 HydrophobicContact CB-CZ 4.4Å; L15-F103 HydrophobicContact CD1-CE1 4.28Å; L15-F103 HydrophobicContact CD1-CZ 3.91Å; L16-F103 HydrophobicContact CD1-CD1 4.08Å; L16-F103 HydrophobicContact CD2-CD1 3.74Å; L16-F103 HydrophobicContact CD2-CE1 4.43Å; L16-F103 HydrophobicContact CD2-CG 4.41Å; L16-F103 HydrophobicContact CG-CD1 3.78Å; L16-F103 HydrophobicContact CG-CE1 4.25Å; K37-F103 WeakPolarHBondContact CE-O 3.45Å; K37-F103 PolarHBondContact NZ-O 3.29Å; V41-F103 HydrophobicContact CG1-CB 4.18Å; V41-F103 HydrophobicContact CG1-CD2 4.14Å; V41-F103 HydrophobicContact CG1-CG 4.37Å; V41-F103 HydrophobicContact CG2-CB 3.65Å; V41-F103 HydrophobicContact CG2-CG 4Å; M44-F103 HydrophobicContact CE-CD1 3.82Å; M44-F103 HydrophobicContact CE-CD2 3.66Å; M44-F103 HydrophobicContact CE-CE1 3.47Å; M44-F103 VanDerWaalsContact CE-CE1 3.47Å; M44-F103 HydrophobicContact CE-CE2 3.34Å; M44-F103 HydrophobicContact CE-CG 3.91Å; M44-F103 HydrophobicContact CE-CZ 3.23Å; M44-F103 HydrophobicContact SD-CE1 4.39Å; M44-F103 HydrophobicContact SD-CZ 4.1Å; L82-F103 HydrophobicContact CD2-CE2 4.39Å; L82-F103 HydrophobicContact CD2-CZ 4.33Å; F99-F103 HydrophobicContact CD1-CD2 4.05Å; F99-F103 HydrophobicContact CD1-CE2 4.2Å; F99-F103 HydrophobicContact CD2-CD2 4.49Å; F99-F103 HydrophobicContact CD2-CE2 4.06Å; F99-F103 AromaticContact CE1-CD2 3.93Å; F99-F103 HydrophobicContact CE1-CD2 3.93Å; F99-F103 AromaticContact CE1-CE2 3.77Å; F99-F103 HydrophobicContact CE1-CE2 3.77Å; F99-F103 HydrophobicContact CE2-CD2 4.38Å; F99-F103 AromaticContact CE2-CE2 3.62Å; F99-F103 HydrophobicContact CE2-CE2 3.62Å; F99-F103 HydrophobicContact CG-CD2 4.34Å; F99-F103 HydrophobicContact CG-CE2 4.34Å; F99-F103 HydrophobicContact CZ-CD2 4.09Å; F99-F103 AromaticContact CZ-CE2 3.45Å; F99-F103 HydrophobicContact CZ-CE2 3.45Å; F99-F103 VanDerWaalsContact CZ-CE2 3.45Å; F99-F103 HydrophobicContact CZ-CZ 4.25Å; F99-F103 VanDerWaalsContact O-CD2 3.32Å; F99-F103 WeakPolarHBondContact O-CD2 3.46Å; F99-F103 PolarHBondContact O-N 3.24Å; T101-F103 PolarHBondContact O-N 2.95Å; T101-F103 VanDerWaalsContact O-N 3.16Å; F103-V105 HydrophobicContact CB-CG2 3.91Å; F103-V105 PolarHBondContact O-N 3.28Å
104Q72.6Confident82.1Confident89 Ų8942.2 Ų42.242%0.41623%0.225SC..THydrogen-bonded Turntrans51.949.3179.7-59.7169.6-16.400113.1K37 Y100 T101 G186 Y187K37-Q104 PolarHBondContact NZ-O 2.9Å; Y100-Q104 PolarHBondContact O-N 2.82Å; Y100-Q104 VanDerWaalsContact O-N 3.15Å; T101-Q104 PolarHBondContact O-N 3.22Å; Q104-G186 PolarHBondContact NE2-O 3.26Å; Q104-Y187 WeakPolarHBondContact CA-OH 3.37Å; Q104-Y187 HydrophobicContact CB-CE1 4.01Å; Q104-Y187 HydrophobicContact CB-CE2 4.3Å; Q104-Y187 HydrophobicContact CG-CE1 4.32Å; Q104-Y187 HydrophobicContact CG-CE2 4.23Å; Q104-Y187 PolarHBondContact O-OH 2.89Å
105V73.2Confident82.3Confident11 Ų1148 Ų487%0.06725%0.247CC..  trans-92.9-8.7-179.7-178.80000112M34 K37 R38 V41 Y100 F103M34-V105 VanDerWaalsContact CE-C 3.41Å; M34-V105 WeakPolarHBondContact CE-O 3.47Å; K37-V105 HydrophobicContact CG-CG2 4.35Å; R38-V105 HydrophobicContact CB-CG1 3.35Å; R38-V105 HydrophobicContact CG-CG1 3.56Å; V41-V105 HydrophobicContact CB-CG2 3.71Å; V41-V105 HydrophobicContact CG1-CG2 3.94Å; V41-V105 HydrophobicContact CG2-CG2 3.45Å; V41-V105 VanDerWaalsContact CG2-CG2 3.45Å; Y100-V105 HydrophobicContact CD1-CB 4.21Å; Y100-V105 HydrophobicContact CD1-CG1 4.11Å; Y100-V105 HydrophobicContact CD1-CG2 4.5Å; Y100-V105 HydrophobicContact CE1-CG1 4.44Å; Y100-V105 HydrophobicContact CG-CB 4.44Å; Y100-V105 PolarHBondContact O-N 2.71Å; F103-V105 HydrophobicContact CB-CG2 3.91Å; F103-V105 PolarHBondContact O-N 3.28Å
106V68.8Low82.6Confident4 Ų451.7 Ų51.72%0.02426%0.263CS..SBendtrans-76.4133.3178.7-176.70000109.8M34 L108 L137 Y187M34-V106 WeakPolarHBondContact CE-O 3.25Å; V106-L108 HydrophobicContact CB-CD2 4.49Å; V106-L108 HydrophobicContact CB-CG 4.45Å; V106-L108 HydrophobicContact CG1-CD2 3.52Å; V106-L108 HydrophobicContact CG1-CG 3.91Å; V106-L108 PolarHBondContact O-N 2.81Å; V106-L137 HydrophobicContact CG1-CB 4.28Å; V106-L137 WeakPolarHBondContact CG1-O 3.39Å; V106-L137 HydrophobicContact CG2-CB 4.13Å; V106-Y187 PolarHBondContact N-OH 3.28Å; V106-Y187 VanDerWaalsContact N-OH 3.16Å; V106-Y187 PolarHBondContact O-OH 2.67Å
107Q70.4Confident83.1Confident101 Ų10149.8 Ų49.847%0.47225%0.254SS..  trans-83.3108.5166.3-172.3174.72.900108.6G135Q107-G135 VanDerWaalsContact O-CA 3.25Å; Q107-G135 WeakPolarHBondContact O-CA 2.97Å
108L81.4Confident84Confident27 Ų2750.4 Ų50.414%0.14126%0.263CS..EExtended strand (participates in β ladder)trans-103.9147.4174.1-61.4-179.1000110.3V106 I133 Q134 P139 A184 Y187 L190V106-L108 HydrophobicContact CB-CD2 4.49Å; V106-L108 HydrophobicContact CB-CG 4.45Å; V106-L108 HydrophobicContact CG1-CD2 3.52Å; V106-L108 HydrophobicContact CG1-CG 3.91Å; V106-L108 PolarHBondContact O-N 2.81Å; L108-I133 HydrophobicContact CB-CG2 4.35Å; L108-I133 HydrophobicContact CD1-CG2 4.39Å; L108-I133 HydrophobicContact CD2-CG2 4.33Å; L108-Q134 CarbonylContact C-O 3.52Å; L108-Q134 VanDerWaalsContact CA-O 3.28Å; L108-Q134 WeakPolarHBondContact CA-O 2.94Å; L108-P139 HydrophobicContact CD1-CG 3.94Å; L108-P139 HydrophobicContact CD2-CG 4.48Å; L108-A184 HydrophobicContact CD1-CB 3.52Å; L108-Y187 HydrophobicContact CD1-CD1 4.16Å; L108-Y187 HydrophobicContact CD1-CD2 3.54Å; L108-Y187 HydrophobicContact CD1-CE1 4.31Å; L108-Y187 HydrophobicContact CD1-CE2 3.75Å; L108-Y187 HydrophobicContact CD1-CG 3.76Å; L108-Y187 HydrophobicContact CG-CE2 4.49Å; L108-L190 HydrophobicContact CB-CD2 3.41Å; L108-L190 VanDerWaalsContact CB-CD2 3.41Å; L108-L190 HydrophobicContact CD1-CD2 4.1Å; L108-L190 HydrophobicContact CG-CD2 4.41Å
109S83.9Confident84.6Confident63 Ų6351.2 Ų51.244%0.44127%0.27SS..EExtended strand (participates in β ladder)trans-140.7139.6174.760.20000110.3Q134S109-Q134 PolarHBondContact N-O 2.83Å; S109-Q134 PolarHBondContact O-N 3.23Å
110L89.9Confident85Confident22 Ų2254.7 Ų54.712%0.11529%0.291CS..  trans-128120.5167.6-179.963.4000106.6Q114 R115 A132 I133 L190 Y191 Q192L110-Q114 HydrophobicContact CD1-CB 3.9Å; L110-R115 HydrophobicContact CD2-CG 3.95Å; L110-R115 HydrophobicContact CG-CG 4.27Å; L110-A132 HydrophobicContact CD1-CB 3.92Å; L110-I133 HydrophobicContact CD1-CG1 4.26Å; L110-I133 HydrophobicContact CD2-CG1 4.42Å; L110-L190 HydrophobicContact CB-CD1 3.74Å; L110-L190 HydrophobicContact CB-CG 4.5Å; L110-Y191 VanDerWaalsContact CD2-C 3.49Å; L110-Y191 WeakPolarHBondContact CD2-O 3.49Å; L110-Q192 HydrophobicContact CD1-CB 4.27Å; L110-Q192 HydrophobicContact CD2-CB 3.87Å
111A89.6Confident85.7Confident51 Ų5155 Ų5542%0.42129%0.294SS..  trans-65.9145.9177.700000109.9D113 Q114 R115A111-D113 VanDerWaalsContact C-N 3.26Å; A111-D113 WeakPolarHBondContact CB-OD1 3.26Å; A111-D113 PolarHBondContact O-N 2.95Å; A111-Q114 HydrophobicContact CB-CB 4.36Å; A111-Q114 HydrophobicContact CB-CG 4.04Å; A111-Q114 CarbonylContact O-C 3.52Å; A111-Q114 WeakPolarHBondContact O-CA 3.45Å; A111-Q114 WeakPolarHBondContact O-CB 3.42Å; A111-Q114 PolarHBondContact O-N 2.64Å; A111-R115 PolarHBondContact O-N 3.23Å
112E88.7Confident86.6Confident127 Ų12757 Ų5759%0.59331%0.306SS*.G310 helixtrans-60.4-37.9-174.3-167.964.8-149.600112Q114 R115E112-Q114 PolarHBondContact O-N 3.22Å; E112-R115 VanDerWaalsContact CD-NH1 3.29Å; E112-R115 WeakPolarHBondContact O-CB 3.48Å; E112-R115 PolarHBondContact O-N 3.27Å; E112-R115 VanDerWaalsContact OE1-CD 3.31Å; E112-R115 WeakPolarHBondContact OE1-CD 3.05Å; E112-R115 IonicContact OE1-CZ 3.39Å; E112-R115 IonicContact OE1-NE 2.76Å; E112-R115 IonicContact OE1-NH1 3.03Å; E112-R115 PolarHBondContact OE1-NH1 2.95Å; E112-R115 IonicContact OE2-CZ 3.46Å; E112-R115 IonicContact OE2-NE 3.39Å; E112-R115 PolarHBondContact OE2-NE 2.75Å; E112-R115 VanDerWaalsContact OE2-NE 3.14Å; E112-R115 IonicContact OE2-NH1 2.67Å; E112-R115 PolarHBondContact OE2-NH1 2.83Å; E112-R115 IonicContact OE2-NH2 2.76Å; E112-R115 PolarHBondContact OE2-NH2 2.99Å
113D91.3Very high87.3Confident115 Ų11558.6 Ų58.662%0.61532%0.315SS*.G310 helixtrans-69.6-14.4176.265.5-57.2000113.5A111A111-D113 VanDerWaalsContact C-N 3.26Å; A111-D113 WeakPolarHBondContact CB-OD1 3.26Å; A111-D113 PolarHBondContact O-N 2.95Å
114Q92.3Very high87.8Confident80 Ų8060.4 Ų60.437%0.37434%0.335SS..G310 helixtrans-1022.3177.7-58.7-59.8-51.400112.5L110 A111 E112 I116 A132 Q192L110-Q114 HydrophobicContact CD1-CB 3.9Å; A111-Q114 HydrophobicContact CB-CB 4.36Å; A111-Q114 HydrophobicContact CB-CG 4.04Å; A111-Q114 CarbonylContact O-C 3.52Å; A111-Q114 WeakPolarHBondContact O-CA 3.45Å; A111-Q114 WeakPolarHBondContact O-CB 3.42Å; A111-Q114 PolarHBondContact O-N 2.64Å; E112-Q114 PolarHBondContact O-N 3.22Å; Q114-I116 PolarHBondContact O-N 2.98Å; Q114-A132 HydrophobicContact CB-CB 3.9Å; Q114-A132 HydrophobicContact CG-CB 4.38Å; Q114-Q192 WeakPolarHBondContact O-CG 3.5Å; Q114-Q192 PolarHBondContact O-NE2 3.27Å
115R93.3Very high88.8Confident121 Ų12161 Ų6146%0.45734%0.341SS..SBendtrans-65.9-26.5176.7-76.8-172.4175177.4-6.9113.6L110 A111 E112 Q192 T193L110-R115 HydrophobicContact CD2-CG 3.95Å; L110-R115 HydrophobicContact CG-CG 4.27Å; A111-R115 PolarHBondContact O-N 3.23Å; E112-R115 VanDerWaalsContact CD-NH1 3.29Å; E112-R115 WeakPolarHBondContact O-CB 3.48Å; E112-R115 PolarHBondContact O-N 3.27Å; E112-R115 VanDerWaalsContact OE1-CD 3.31Å; E112-R115 WeakPolarHBondContact OE1-CD 3.05Å; E112-R115 IonicContact OE1-CZ 3.39Å; E112-R115 IonicContact OE1-NE 2.76Å; E112-R115 IonicContact OE1-NH1 3.03Å; E112-R115 PolarHBondContact OE1-NH1 2.95Å; E112-R115 IonicContact OE2-CZ 3.46Å; E112-R115 IonicContact OE2-NE 3.39Å; E112-R115 PolarHBondContact OE2-NE 2.75Å; E112-R115 VanDerWaalsContact OE2-NE 3.14Å; E112-R115 IonicContact OE2-NH1 2.67Å; E112-R115 PolarHBondContact OE2-NH1 2.83Å; E112-R115 IonicContact OE2-NH2 2.76Å; E112-R115 PolarHBondContact OE2-NH2 2.99Å; R115-Q192 CarbonylContact O-C 3.55Å; R115-Q192 WeakPolarHBondContact O-CA 3.13Å; R115-T193 PolarHBondContact O-N 2.86Å
116I94.9Very high89.8Confident113 Ų11364.5 Ų64.558%0.57937%0.366SS*.EExtended strand (participates in β ladder)trans-126.4124175.2-58.2173.8000108.2Q114 T193 V195Q114-I116 PolarHBondContact O-N 2.98Å; I116-T193 CarbonylContact C-O 3.56Å; I116-T193 VanDerWaalsContact CA-O 3.25Å; I116-T193 WeakPolarHBondContact CA-O 3.34Å; I116-V195 HydrophobicContact CG2-CG2 4.21Å
117S94.9Very high90.9Very high20 Ų2064.5 Ų64.514%0.1437%0.366CS..EExtended strand (participates in β ladder)trans-114.8154.9168.745.90000109.7Q192 T193 H194 V195S117-Q192 PolarHBondContact OG-NE2 3.29Å; S117-Q192 VanDerWaalsContact OG-NE2 3.16Å; S117-T193 PolarHBondContact N-O 3.33Å; S117-H194 WeakPolarHBondContact O-CA 3.4Å; S117-H194 WeakPolarHBondContact OG-CA 3.41Å; S117-H194 WeakPolarHBondContact OG-CB 3.45Å; S117-H194 PolarHBondContact OG-ND1 2.88Å; S117-V195 PolarHBondContact O-N 2.91Å
118T95Very high92Very high79 Ų7963 Ų6349%0.48536%0.363SS..EExtended strand (participates in β ladder)trans-137.2135176.1-56.90000109.3V195 Q197T118-V195 WeakPolarHBondContact CA-O 3.41Å; T118-V195 HydrophobicContact CG2-CB 4.21Å; T118-V195 HydrophobicContact CG2-CG1 4.48Å; T118-Q197 HydrophobicContact CG2-CG 4.25Å
119S94.8Very high92.6Very high26 Ų2661.7 Ų61.718%0.18236%0.357CS..EExtended strand (participates in β ladder)trans-128.4133.717255.60000109.6H194 V195 L196 Q197S119-H194 PolarHBondContact OG-NE2 2.82Å; S119-V195 PolarHBondContact N-O 2.91Å; S119-L196 WeakPolarHBondContact OG-CD1 3.42Å; S119-Q197 PolarHBondContact O-N 3.41Å
120T95.4Very high93Very high72 Ų7262.2 Ų62.244%0.44236%0.358SS..EExtended strand (participates in β ladder)trans-108.6124.8174.8-47.90000108.4Q197 N199T120-Q197 WeakPolarHBondContact CA-O 3.46Å; T120-Q197 HydrophobicContact CG2-CB 4.15Å; T120-Q197 PolarHBondContact OG1-OE1 2.95Å; T120-Q197 VanDerWaalsContact OG1-OE1 3.12Å; T120-N199 HydrophobicContact CG2-CB 4.47Å; T120-N199 VanDerWaalsContact CG2-CG 3.48Å; T120-N199 WeakPolarHBondContact CG2-ND2 3.33Å; T120-N199 WeakPolarHBondContact CG2-OD1 3.48Å
121V95.4Very high93Very high21 Ų2161.9 Ų61.913%0.12736%0.357CS..EExtended strand (participates in β ladder)trans-130.1135.8-175.7-176.80000109.7L125 A127 V172 L196 Q197 V198 N199V121-L125 HydrophobicContact CG1-CB 3.94Å; V121-A127 HydrophobicContact CG1-CB 4.47Å; V121-A127 HydrophobicContact CG2-CB 3.9Å; V121-V172 HydrophobicContact CB-CG1 4.48Å; V121-V172 HydrophobicContact CG1-CB 4.22Å; V121-V172 HydrophobicContact CG1-CG1 4.44Å; V121-V172 HydrophobicContact CG1-CG2 4.02Å; V121-L196 HydrophobicContact CB-CD1 4.47Å; V121-L196 HydrophobicContact CG2-CD1 4.03Å; V121-Q197 PolarHBondContact N-O 3.03Å; V121-V198 CarbonylContact O-C 3.59Å; V121-V198 VanDerWaalsContact O-CA 3.24Å; V121-V198 WeakPolarHBondContact O-CA 3.15Å; V121-N199 PolarHBondContact O-N 3.5Å
122T94.6Very high93.1Very high43 Ų4360.7 Ų60.726%0.26435%0.347SS..EExtended strand (participates in β ladder)trans-74.1139.8175.3-55.80000110.6G124 L125 N199 V280T122-G124 PolarHBondContact O-N 2.89Å; T122-L125 WeakPolarHBondContact O-CB 3.39Å; T122-L125 PolarHBondContact O-N 2.84Å; T122-L125 VanDerWaalsContact O-N 3.15Å; T122-N199 CarbonylContact C-O 3.51Å; T122-N199 WeakPolarHBondContact CA-O 3.47Å; T122-V280 HydrophobicContact CG2-CG1 3.64Å
123V92.9Very high93.2Very high41 Ų4154.8 Ų54.825%0.24832%0.319CS..THydrogen-bonded Turntrans-47.6137175.766.50000111.9L125 V198 N199 V200 I465V123-L125 VanDerWaalsContact C-N 3.31Å; V123-L125 PolarHBondContact O-N 2.96Å; V123-V198 HydrophobicContact CB-CG1 4.28Å; V123-N199 PolarHBondContact N-O 2.87Å; V123-V200 HydrophobicContact CB-CG2 4.32Å; V123-V200 HydrophobicContact CG1-CG1 4.45Å; V123-V200 HydrophobicContact CG1-CG2 4.31Å; V123-I465 HydrophobicContact CG2-CG2 4.37Å
124G90.5Very high92.9Very high42 Ų4255.2 Ų55.243%0.43332%0.317SS..THydrogen-bonded Turntrans85.6-14.1-178.800000115.3T122 V172T122-G124 PolarHBondContact O-N 2.89Å; G124-V172 PolarHBondContact N-O 2.78Å
125L93.4Very high92.2Very high102 Ų10252.8 Ų52.853%0.53431%0.314SS..SBendtrans-84.8165.9174.3-57-175.8000111.9V121 T122 V123 V172V121-L125 HydrophobicContact CG1-CB 3.94Å; T122-L125 WeakPolarHBondContact O-CB 3.39Å; T122-L125 PolarHBondContact O-N 2.84Å; T122-L125 VanDerWaalsContact O-N 3.15Å; V123-L125 VanDerWaalsContact C-N 3.31Å; V123-L125 PolarHBondContact O-N 2.96Å; L125-V172 VanDerWaalsContact O-CB 3.28Å; L125-V172 WeakPolarHBondContact O-CB 3.39Å; L125-V172 VanDerWaalsContact O-CG2 3.29Å; L125-V172 WeakPolarHBondContact O-CG2 3.29Å; L125-V172 PolarHBondContact O-N 2.87Å
126S93.3Very high90.9Very high85 Ų8551.8 Ų51.859%0.59432%0.322SS*.  trans-85.8149.7172.9-46.10000111.6I169 T170S126-I169 CarbonylContact C-O 3.29Å; S126-I169 WeakPolarHBondContact CA-O 3.24Å; S126-I169 WeakPolarHBondContact CB-O 2.92Å; S126-T170 WeakPolarHBondContact CA-O 3.38Å; S126-T170 WeakPolarHBondContact CB-O 3.22Å; S126-T170 PolarHBondContact OG-O 3.2Å
127A93.6Very high89.6Confident4 Ų449.4 Ų49.43%0.03331%0.31CS..EExtended strand (participates in β ladder)trans-121.2148.9172.800000111.5V121 L129 Y168 I169 V172 L196V121-A127 HydrophobicContact CG1-CB 4.47Å; V121-A127 HydrophobicContact CG2-CB 3.9Å; A127-L129 HydrophobicContact CB-CD2 4.39Å; A127-Y168 WeakPolarHBondContact O-CA 3.07Å; A127-I169 HydrophobicContact CB-CB 4.29Å; A127-I169 PolarHBondContact N-O 2.81Å; A127-I169 PolarHBondContact O-N 3.46Å; A127-V172 HydrophobicContact CB-CG2 3.58Å; A127-L196 HydrophobicContact CB-CD1 4.4Å
128V93.3Very high88.4Confident68 Ų6855.2 Ų55.241%0.41233%0.329SS..EExtended strand (participates in β ladder)trans-126.3115.6171.8-172.40000107.9T130 L167 Y168V128-T130 HydrophobicContact CG1-CG2 4.37Å; V128-L167 WeakPolarHBondContact CA-O 3.45Å; V128-Y168 HydrophobicContact CB-CD1 4.3Å; V128-Y168 HydrophobicContact CB-CE1 4.24Å; V128-Y168 HydrophobicContact CG1-CD1 4.01Å; V128-Y168 HydrophobicContact CG1-CE1 3.63Å; V128-Y168 HydrophobicContact CG1-CE2 4.42Å; V128-Y168 HydrophobicContact CG2-CD1 3.53Å; V128-Y168 HydrophobicContact CG2-CE1 3.57Å
129L93.6Very high87.4Confident0 Ų051.6 Ų51.60%031%0.306CS..EExtended strand (participates in β ladder)trans-98.7117.3175.8-39.6-173000108.2A127 W143 S166 L167 Y180 L196A127-L129 HydrophobicContact CB-CD2 4.39Å; L129-W143 HydrophobicContact CB-CH2 3.56Å; L129-W143 HydrophobicContact CB-CZ2 4.02Å; L129-W143 HydrophobicContact CB-CZ3 4.03Å; L129-W143 HydrophobicContact CD1-CZ3 4.29Å; L129-W143 WeakPolarHBondContact O-CZ2 3.22Å; L129-S166 CarbonylContact O-C 3.57Å; L129-S166 VanDerWaalsContact O-CA 3.25Å; L129-S166 WeakPolarHBondContact O-CA 3.45Å; L129-S166 WeakPolarHBondContact O-CB 3.46Å; L129-L167 HydrophobicContact CB-CB 4.2Å; L129-L167 HydrophobicContact CD1-CD2 3.93Å; L129-L167 HydrophobicContact CG-CB 4.45Å; L129-L167 HydrophobicContact CG-CD2 4.49Å; L129-L167 PolarHBondContact N-O 2.97Å; L129-L167 PolarHBondContact O-N 3.13Å; L129-Y180 HydrophobicContact CD1-CD1 4.2Å; L129-Y180 HydrophobicContact CD1-CD2 3.84Å; L129-Y180 HydrophobicContact CD1-CE2 4.34Å; L129-Y180 HydrophobicContact CD1-CG 3.77Å; L129-L196 HydrophobicContact CD2-CD1 4.25Å
130T91.9Very high86.8Confident75 Ų7553 Ų5346%0.4632%0.315SS..PPolyproline II helixtrans-99.6144.9-176.158.10000111.1V128V128-T130 HydrophobicContact CG1-CG2 4.37Å
131C90.6Very high86.3Confident15 Ų1550.4 Ų50.410%0.10130%0.298CS..PPolyproline II helixtrans-100.3125.3174.7-162.50000111.5I133 I141 W143 C182C131-I133 VanDerWaalsContact C-N 3.33Å; C131-I141 HydrophobicContact CB-CD1 4.4Å; C131-I141 HydrophobicContact CB-CG1 4.26Å; C131-I141 HydrophobicContact CB-CG2 3.94Å; C131-W143 HydrophobicContact CB-CZ2 4.23Å; C131-C182 VanDerWaalsContact CA-SG 3.55Å; C131-C182 HydrophobicContact CB-CB 3.72Å; C131-C182 WeakPolarHBondContact CB-SG 3.31Å; C131-C182 WeakPolarHBondContact SG-CB 3.01Å; C131-C182 CovalentContact SG-SG 2.05Å; C131-C182 PolarHBondContact SG-SG 3.16Å
132A92.1Very high86Confident25 Ų2550.6 Ų50.621%0.20730%0.299CS..  trans-88.25.1-177.400000113.7L110 Q114 Q134L110-A132 HydrophobicContact CD1-CB 3.92Å; Q114-A132 HydrophobicContact CB-CB 3.9Å; Q114-A132 HydrophobicContact CG-CB 4.38Å; A132-Q134 PolarHBondContact O-N 3.15Å
133I90.2Very high85.8Confident3 Ų348.6 Ų48.62%0.01529%0.286CS..  trans-64.7120.2176.1-61.5173.7000108.9L108 L110 C131 A184 L190L108-I133 HydrophobicContact CB-CG2 4.35Å; L108-I133 HydrophobicContact CD1-CG2 4.39Å; L108-I133 HydrophobicContact CD2-CG2 4.33Å; L110-I133 HydrophobicContact CD1-CG1 4.26Å; L110-I133 HydrophobicContact CD2-CG1 4.42Å; C131-I133 VanDerWaalsContact C-N 3.33Å; I133-A184 HydrophobicContact CD1-CB 4.14Å; I133-A184 HydrophobicContact CG2-CB 4.24Å; I133-L190 HydrophobicContact CG2-CD2 4.04Å
134Q84.8Confident85.8Confident124 Ų12448.4 Ų48.458%0.57928%0.282SS*.EExtended strand (participates in β ladder)trans-106.6156.3179.3-64.5-178.7-5.100110.6L108 S109 A132L108-Q134 CarbonylContact C-O 3.52Å; L108-Q134 VanDerWaalsContact CA-O 3.28Å; L108-Q134 WeakPolarHBondContact CA-O 2.94Å; S109-Q134 PolarHBondContact N-O 2.83Å; S109-Q134 PolarHBondContact O-N 3.23Å; A132-Q134 PolarHBondContact O-N 3.15Å
135G76.7Confident85.8Confident30 Ų3046.6 Ų46.631%0.30926%0.262SS..EExtended strand (participates in β ladder)trans-176.3164.7176.100000113Q107 L137Q107-G135 VanDerWaalsContact O-CA 3.25Å; Q107-G135 WeakPolarHBondContact O-CA 2.97Å; G135-L137 PolarHBondContact O-N 3.02Å
136T66.9Low85.6Confident100 Ų10044.7 Ų44.761%0.61325%0.253SS*.SBendtrans-66.9-22.7177.1500000112.9
137L68.6Low85.2Confident62 Ų6243.7 Ų43.733%0.32526%0.255SS..SBendtrans-150.994.9175.7-75.9178.3000107.6Y100 V106 G135 P139Y100-L137 HydrophobicContact CD2-CD1 3.6Å; Y100-L137 HydrophobicContact CE2-CD1 4.05Å; V106-L137 HydrophobicContact CG1-CB 4.28Å; V106-L137 WeakPolarHBondContact CG1-O 3.39Å; V106-L137 HydrophobicContact CG2-CB 4.13Å; G135-L137 PolarHBondContact O-N 3.02Å; L137-P139 VanDerWaalsContact O-CD 3.28Å; L137-P139 WeakPolarHBondContact O-CD 3.49Å
138R67.9Low85Confident142 Ų14245.5 Ų45.554%0.53626%0.264SS..PPolyproline II helixtrans-70.2119.1-175.3-66.7-172.8-142.4161.45110.4
139P75.4Confident84.8Confident3 Ų344.1 Ų44.12%0.01926%0.255CS..PPolyproline II helixtrans-69.3166170.713.2-5.7000110.8T101 L108 L137 I141 A184 Y187T101-P139 HydrophobicContact CG2-CB 3.6Å; T101-P139 HydrophobicContact CG2-CG 4.4Å; L108-P139 HydrophobicContact CD1-CG 3.94Å; L108-P139 HydrophobicContact CD2-CG 4.48Å; L137-P139 VanDerWaalsContact O-CD 3.28Å; L137-P139 WeakPolarHBondContact O-CD 3.49Å; P139-I141 PolarHBondContact O-N 2.89Å; P139-A184 HydrophobicContact CG-CB 4.11Å; P139-Y187 HydrophobicContact CG-CD2 4.46Å; P139-Y187 HydrophobicContact CG-CE2 4.36Å
140P80.7Confident84.5Confident57 Ų5744.3 Ų44.337%0.3726%0.257SS..PPolyproline II helixtrans-52.3137.4176.8-26.734.8000112.3Y88 Y185Y88-P140 HydrophobicContact CD2-CG 4.05Å; Y88-P140 HydrophobicContact CG-CG 4.15Å; P140-Y185 WeakPolarHBondContact O-CB 3.15Å; P140-Y185 PolarHBondContact O-N 2.77Å
141I86.6Confident83.8Confident16 Ų1642.9 Ų42.98%0.08225%0.246CC..EExtended strand (participates in β ladder)trans-88.1126.4176.9-59.8-56.9000109.7C131 P139 N151 C182 H183 A184C131-I141 HydrophobicContact CB-CD1 4.4Å; C131-I141 HydrophobicContact CB-CG1 4.26Å; C131-I141 HydrophobicContact CB-CG2 3.94Å; P139-I141 PolarHBondContact O-N 2.89Å; I141-N151 PolarHBondContact O-ND2 3.07Å; I141-N151 VanDerWaalsContact O-ND2 3.09Å; I141-C182 HydrophobicContact CG2-CB 3.69Å; I141-H183 WeakPolarHBondContact CA-O 3.47Å; I141-A184 HydrophobicContact CD1-CB 4.48Å
142I87.7Confident82.8Confident26 Ų2650.3 Ų50.313%0.13328%0.277CS..EExtended strand (participates in β ladder)trans-103.2121175.7-52.3175.9000108.4K144 V149 C182 H183 Y185I142-K144 HydrophobicContact CG2-CG 4.4Å; I142-V149 HydrophobicContact CG2-CB 4.26Å; I142-V149 HydrophobicContact CG2-CG1 3.44Å; I142-V149 VanDerWaalsContact CG2-CG1 3.44Å; I142-V149 HydrophobicContact CG2-CG2 3.91Å; I142-C182 WeakPolarHBondContact O-CA 2.91Å; I142-H183 PolarHBondContact N-O 3Å; I142-H183 PolarHBondContact O-N 2.93Å; I142-Y185 HydrophobicContact CD1-CD2 3.45Å; I142-Y185 VanDerWaalsContact CD1-CD2 3.45Å; I142-Y185 HydrophobicContact CD1-CE2 4.29Å; I142-Y185 HydrophobicContact CD1-CG 4.16Å; I142-Y185 HydrophobicContact CG1-CD2 4.19Å
143W91.4Very high82Confident0 Ų051.6 Ų51.60%028%0.28CS..EExtended strand (participates in β ladder)trans-92.8132.9172.4-74.488.9000110.4L129 C131 V149 L150 N151 F161 G165 L167 S181 C182 H194L129-W143 HydrophobicContact CB-CH2 3.56Å; L129-W143 HydrophobicContact CB-CZ2 4.02Å; L129-W143 HydrophobicContact CB-CZ3 4.03Å; L129-W143 HydrophobicContact CD1-CZ3 4.29Å; L129-W143 WeakPolarHBondContact O-CZ2 3.22Å; C131-W143 HydrophobicContact CB-CZ2 4.23Å; W143-V149 WeakPolarHBondContact O-CA 3.5Å; W143-L150 HydrophobicContact CB-CB 4.5Å; W143-L150 HydrophobicContact CB-CD1 4.33Å; W143-L150 PolarHBondContact O-N 3.17Å; W143-N151 PolarHBondContact N-OD1 3.11Å; W143-F161 HydrophobicContact CB-CE1 4.21Å; W143-F161 AromaticContact CD1-CD1 3.75Å; W143-F161 AromaticContact CD1-CE1 3.64Å; W143-F161 HydrophobicContact CG-CE1 4.27Å; W143-G165 PolarHBondContact NE1-O 2.81Å; W143-L167 HydrophobicContact CB-CD1 4.21Å; W143-L167 HydrophobicContact CB-CD2 4.37Å; W143-L167 HydrophobicContact CD2-CB 3.79Å; W143-L167 HydrophobicContact CD2-CD2 4.24Å; W143-L167 HydrophobicContact CE3-CB 4.45Å; W143-L167 HydrophobicContact CE3-CD2 4.33Å; W143-L167 HydrophobicContact CG-CB 3.9Å; W143-L167 HydrophobicContact CG-CD1 4.18Å; W143-L167 HydrophobicContact CG-CD2 4.28Å; W143-L167 HydrophobicContact CG-CG 4.36Å; W143-L167 HydrophobicContact CZ2-CB 4.26Å; W143-S181 CarbonylContact C-O 3.57Å; W143-S181 WeakPolarHBondContact CA-O 3.49Å; W143-C182 HydrophobicContact CD2-CB 3.84Å; W143-C182 HydrophobicContact CE3-CB 3.87Å; W143-C182 HydrophobicContact CH2-CB 3.74Å; W143-C182 HydrophobicContact CZ2-CB 3.66Å; W143-C182 HydrophobicContact CZ3-CB 3.83Å; W143-H194 HydrophobicContact CH2-CB 4.13Å; W143-H194 HydrophobicContact CZ3-CB 3.9Å
144K91.6Very high81.1Confident38 Ų3859.4 Ų59.417%0.16532%0.322CS..EExtended strand (participates in β ladder)trans-120.2145.6173.6-59.9-177.3-176.2174.40110.5I142 I148 V149 Y180 S181I142-K144 HydrophobicContact CG2-CG 4.4Å; K144-I148 CarbonylContact C-O 3.49Å; K144-I148 WeakPolarHBondContact CA-O 3.47Å; K144-V149 HydrophobicContact CD-CG2 4.24Å; K144-V149 HydrophobicContact CG-CG2 3.93Å; K144-Y180 CarbonylContact O-C 3.28Å; K144-Y180 VanDerWaalsContact O-CA 3.31Å; K144-Y180 WeakPolarHBondContact O-CA 3.17Å; K144-S181 PolarHBondContact N-O 3.07Å; K144-S181 PolarHBondContact O-N 3.04Å
145R91.8Very high80.9Confident3 Ų354.2 Ų54.21%0.01130%0.298CS..EExtended strand (participates in β ladder)trans-128.2127.7167-180-177.1173.289.74.4107.7G147 I148 L150 I175 H176 M177 Y180 S514 D536R145-G147 PolarHBondContact O-N 2.83Å; R145-G147 VanDerWaalsContact O-N 3.09Å; R145-I148 PolarHBondContact N-O 3Å; R145-I148 WeakPolarHBondContact O-CB 3.49Å; R145-I148 PolarHBondContact O-N 2.93Å; R145-L150 HydrophobicContact CB-CD1 4.19Å; R145-L150 HydrophobicContact CB-CD2 3.95Å; R145-L150 HydrophobicContact CB-CG 4.31Å; R145-I175 PolarHBondContact NH2-O 2.79Å; R145-H176 PolarHBondContact NH1-O 3.27Å; R145-M177 PolarHBondContact NH1-O 3.43Å; R145-M177 PolarHBondContact NH2-O 2.9Å; R145-Y180 HydrophobicContact CB-CD1 4.14Å; R145-Y180 HydrophobicContact CB-CE1 4.16Å; R145-Y180 HydrophobicContact CG-CE1 4.3Å; R145-Y180 PolarHBondContact NH1-OH 3.22Å; R145-S514 PolarHBondContact NH2-O 3.29Å; R145-D536 IonicContact CZ-OD1 3.72Å; R145-D536 IonicContact NE-OD1 3.68Å; R145-D536 PolarHBondContact NE-OD1 3.36Å; R145-D536 IonicContact NE-OD2 3.94Å; R145-D536 IonicContact NH2-OD1 3.25Å
146N87.9Confident80.7Confident63 Ų6358.9 Ų58.934%0.33731%0.312SS..THydrogen-bonded Turntrans52.334.1-178.9-63.1-35000113.5I148 D536 I543N146-I148 VanDerWaalsContact C-N 3.28Å; N146-I148 PolarHBondContact O-N 2.62Å; N146-D536 PolarHBondContact ND2-OD1 3.11Å; N146-I543 HydrophobicContact CB-CD1 4.23Å; N146-I543 HydrophobicContact CB-CG1 4.31Å
147G86.7Confident81.3Confident63 Ų6356.6 Ų56.665%0.64930%0.296SS*.THydrogen-bonded Turntrans81.3-3.5-17700000115.5R145R145-G147 PolarHBondContact O-N 2.83Å; R145-G147 VanDerWaalsContact O-N 3.09Å
148I88.4Confident81.8Confident43 Ų4354.4 Ų54.422%0.22128%0.284CS..EExtended strand (participates in β ladder)trans-97.9126.4-175.8-55.4-70.6000109.3K144 R145 N146 L150 L153 T539 T541K144-I148 CarbonylContact C-O 3.49Å; K144-I148 WeakPolarHBondContact CA-O 3.47Å; R145-I148 PolarHBondContact N-O 3Å; R145-I148 WeakPolarHBondContact O-CB 3.49Å; R145-I148 PolarHBondContact O-N 2.93Å; N146-I148 VanDerWaalsContact C-N 3.28Å; N146-I148 PolarHBondContact O-N 2.62Å; I148-L150 PolarHBondContact O-N 3.45Å; I148-L153 HydrophobicContact CG2-CD1 3.99Å; I148-T539 HydrophobicContact CG2-CG2 4.14Å; I148-T541 HydrophobicContact CD1-CG2 4.44Å; I148-T541 VanDerWaalsContact CG1-OG1 3.28Å; I148-T541 WeakPolarHBondContact CG1-OG1 3.28Å; I148-T541 HydrophobicContact CG2-CG2 3.96Å
149V88.8Confident81.8Confident38 Ų3851.6 Ų51.623%0.2328%0.28CS..EExtended strand (participates in β ladder)trans-70.9123.9177.5177.90000109.9I142 W143 K144 N151 F152I142-V149 HydrophobicContact CG2-CB 4.26Å; I142-V149 HydrophobicContact CG2-CG1 3.44Å; I142-V149 VanDerWaalsContact CG2-CG1 3.44Å; I142-V149 HydrophobicContact CG2-CG2 3.91Å; W143-V149 WeakPolarHBondContact O-CA 3.5Å; K144-V149 HydrophobicContact CD-CG2 4.24Å; K144-V149 HydrophobicContact CG-CG2 3.93Å; V149-N151 HydrophobicContact CG1-CB 4.07Å; V149-F152 HydrophobicContact CB-CD2 4.1Å; V149-F152 HydrophobicContact CB-CE2 4.42Å; V149-F152 HydrophobicContact CG1-CD2 3.47Å; V149-F152 VanDerWaalsContact CG1-CD2 3.47Å; V149-F152 HydrophobicContact CG1-CE2 3.61Å
150L88.6Confident81Confident5 Ų557.4 Ų57.43%0.02631%0.311CS..SBendtrans-80.9-30.2-178.3-59.3-177.7000112.4W143 R145 I148 F152 L153 L155 L167 Y180 T539W143-L150 HydrophobicContact CB-CB 4.5Å; W143-L150 HydrophobicContact CB-CD1 4.33Å; W143-L150 PolarHBondContact O-N 3.17Å; R145-L150 HydrophobicContact CB-CD1 4.19Å; R145-L150 HydrophobicContact CB-CD2 3.95Å; R145-L150 HydrophobicContact CB-CG 4.31Å; I148-L150 PolarHBondContact O-N 3.45Å; L150-F152 PolarHBondContact O-N 3.41Å; L150-L153 HydrophobicContact CD2-CD1 4.43Å; L150-L153 PolarHBondContact O-N 3.45Å; L150-L155 HydrophobicContact CB-CD1 4.49Å; L150-L155 HydrophobicContact CD2-CD1 4.07Å; L150-L167 HydrophobicContact CD1-CD1 4.4Å; L150-L167 HydrophobicContact CD1-CD2 3.87Å; L150-Y180 HydrophobicContact CD1-CD1 3.75Å; L150-Y180 HydrophobicContact CD1-CE1 3.73Å; L150-T539 HydrophobicContact CD2-CG2 3.55Å
151N76.3Confident80.2Confident44 Ų4457.2 Ų57.224%0.23530%0.304CS..THydrogen-bonded Turntrans-56.7-22.4-174.6-56.552.4000115.6I141 W143 V149 F161I141-N151 PolarHBondContact O-ND2 3.07Å; I141-N151 VanDerWaalsContact O-ND2 3.09Å; W143-N151 PolarHBondContact N-OD1 3.11Å; V149-N151 HydrophobicContact CG1-CB 4.07Å; N151-F161 VanDerWaalsContact CA-CE2 3.42Å; N151-F161 HydrophobicContact CB-CD2 4.38Å; N151-F161 HydrophobicContact CB-CE1 4.17Å; N151-F161 HydrophobicContact CB-CE2 3.48Å; N151-F161 VanDerWaalsContact CB-CE2 3.48Å; N151-F161 HydrophobicContact CB-CZ 3.41Å; N151-F161 VanDerWaalsContact CB-CZ 3.41Å; N151-F161 VanDerWaalsContact ND2-CD1 3.34Å; N151-F161 WeakPolarHBondContact ND2-CD1 3.41Å; N151-F161 WeakPolarHBondContact ND2-CE1 3.45Å; N151-F161 VanDerWaalsContact ND2-CE2 3.33Å; N151-F161 WeakPolarHBondContact ND2-CE2 3.43Å; N151-F161 WeakPolarHBondContact ND2-CZ 3.45Å; N151-F161 WeakPolarHBondContact OD1-CE1 3.45Å; N151-F161 VanDerWaalsContact OD1-CZ 3.24Å; N151-F161 WeakPolarHBondContact OD1-CZ 3.39Å
152F69.6Low78.8Confident171 Ų17157.4 Ų57.475%0.7531%0.31SS*.THydrogen-bonded Turntrans-105.37.2-177.3-54-63000113.2V149 L150V149-F152 HydrophobicContact CB-CD2 4.1Å; V149-F152 HydrophobicContact CB-CE2 4.42Å; V149-F152 HydrophobicContact CG1-CD2 3.47Å; V149-F152 VanDerWaalsContact CG1-CD2 3.47Å; V149-F152 HydrophobicContact CG1-CE2 3.61Å; L150-F152 PolarHBondContact O-N 3.41Å
153L76Confident77.7Confident53 Ų5365.2 Ų65.228%0.27735%0.352SS..SBendtrans-105.3133.7-178.7-60-179.6000109.9I148 L150 L155 T539I148-L153 HydrophobicContact CG2-CD1 3.99Å; L150-L153 HydrophobicContact CD2-CD1 4.43Å; L150-L153 PolarHBondContact O-N 3.45Å; L153-L155 HydrophobicContact CB-CD1 4.08Å; L153-L155 HydrophobicContact CB-CD2 3.83Å; L153-L155 HydrophobicContact CB-CG 3.69Å; L153-L155 HydrophobicContact CD1-CD2 4.36Å; L153-L155 PolarHBondContact O-N 2.87Å; L153-T539 HydrophobicContact CD1-CG2 3.66Å
154D71Confident76.9Confident167 Ų16768.9 Ų68.989%0.89337%0.371SS*.  trans-78.799.3167.8-170.711.9000108.1
155L79.7Confident76.4Confident14 Ų1467.5 Ų67.57%0.07337%0.368CS..  trans-115.9116.8-174.5-60.9-179.5000109.2L150 L153 D157 I158 V538L150-L155 HydrophobicContact CB-CD1 4.49Å; L150-L155 HydrophobicContact CD2-CD1 4.07Å; L153-L155 HydrophobicContact CB-CD1 4.08Å; L153-L155 HydrophobicContact CB-CD2 3.83Å; L153-L155 HydrophobicContact CB-CG 3.69Å; L153-L155 HydrophobicContact CD1-CD2 4.36Å; L153-L155 PolarHBondContact O-N 2.87Å; L155-D157 VanDerWaalsContact C-N 3.29Å; L155-D157 PolarHBondContact O-N 3.34Å; L155-I158 HydrophobicContact CB-CB 3.86Å; L155-I158 HydrophobicContact CB-CG1 4.42Å; L155-I158 HydrophobicContact CD1-CB 4.08Å; L155-I158 HydrophobicContact CD1-CD1 3.98Å; L155-I158 HydrophobicContact CD1-CG1 4.39Å; L155-I158 HydrophobicContact CD1-CG2 4.44Å; L155-I158 PolarHBondContact O-N 3.49Å; L155-I158 VanDerWaalsContact O-O 3.09Å; L155-V538 VanDerWaalsContact CD2-O 3.27Å; L155-V538 WeakPolarHBondContact CD2-O 3.48Å
156E72.8Confident76.2Confident128 Ų12867.4 Ų67.460%0.59837%0.368SS*.THydrogen-bonded Turntrans-56.4-40.3-172-170.2168.1-155.900113.4R470E156-R470 IonicContact OE1-CZ 2.69Å; E156-R470 IonicContact OE1-NH1 3.75Å; E156-R470 PolarHBondContact OE1-NH1 2.77Å; E156-R470 IonicContact OE2-NH1 3.87Å; E156-R470 PolarHBondContact OE2-NH1 3.44Å
157D79.4Confident76.4Confident53 Ų5364.5 Ų64.528%0.28335%0.352SS..THydrogen-bonded Turntrans-97.5-11.1-175.8-64.9-43.7000113.9L155 I169 T170L155-D157 VanDerWaalsContact C-N 3.29Å; L155-D157 PolarHBondContact O-N 3.34Å; D157-I169 CarbonylContact O-C 3.59Å; D157-T170 PolarHBondContact O-N 3.4Å; D157-T170 PolarHBondContact O-OG1 2.81Å
158I79.8Confident76.6Confident16 Ų1665.5 Ų65.58%0.08234%0.337CS..EExtended strand (participates in β ladder)trans-114.7101.9-175.4-55-171.8000108.3L155 L167 Y168 I169 V538L155-I158 HydrophobicContact CB-CB 3.86Å; L155-I158 HydrophobicContact CB-CG1 4.42Å; L155-I158 HydrophobicContact CD1-CB 4.08Å; L155-I158 HydrophobicContact CD1-CD1 3.98Å; L155-I158 HydrophobicContact CD1-CG1 4.39Å; L155-I158 HydrophobicContact CD1-CG2 4.44Å; L155-I158 PolarHBondContact O-N 3.49Å; L155-I158 VanDerWaalsContact O-O 3.09Å; I158-L167 HydrophobicContact CG2-CD1 3.6Å; I158-L167 HydrophobicContact CG2-CG 4.1Å; I158-Y168 WeakPolarHBondContact CA-O 3.45Å; I158-I169 HydrophobicContact CD1-CG1 4.44Å; I158-I169 HydrophobicContact CG1-CG1 4.21Å; I158-I169 HydrophobicContact CG1-CG2 4.43Å; I158-V538 HydrophobicContact CD1-CG1 3.77Å
159N67.7Low76.7Confident82 Ų8263.5 Ų63.544%0.43933%0.327SS..EExtended strand (participates in β ladder)trans-112.9121.8-174.5-70.2-55.9000110Y168 T170N159-Y168 PolarHBondContact N-O 3.44Å; N159-Y168 VanDerWaalsContact N-O 3.11Å; N159-Y168 WeakPolarHBondContact O-CB 3.46Å; N159-T170 HydrophobicContact CB-CG2 4.32Å; N159-T170 WeakPolarHBondContact ND2-CG2 3.45Å
160D58.7Low76.8Confident125 Ų12564.5 Ų64.567%0.66833%0.333SS*.EExtended strand (participates in β ladder)trans65.3147.1156.5-143.7-1000118.9
161F64Low76.8Confident54 Ų5470 Ų7024%0.23736%0.357CS..EExtended strand (participates in β ladder)trans-93.5106.4171.5-55-78.8000104.9W143 N151 S166 L167W143-F161 HydrophobicContact CB-CE1 4.21Å; W143-F161 AromaticContact CD1-CD1 3.75Å; W143-F161 AromaticContact CD1-CE1 3.64Å; W143-F161 HydrophobicContact CG-CE1 4.27Å; N151-F161 VanDerWaalsContact CA-CE2 3.42Å; N151-F161 HydrophobicContact CB-CD2 4.38Å; N151-F161 HydrophobicContact CB-CE1 4.17Å; N151-F161 HydrophobicContact CB-CE2 3.48Å; N151-F161 VanDerWaalsContact CB-CE2 3.48Å; N151-F161 HydrophobicContact CB-CZ 3.41Å; N151-F161 VanDerWaalsContact CB-CZ 3.41Å; N151-F161 VanDerWaalsContact ND2-CD1 3.34Å; N151-F161 WeakPolarHBondContact ND2-CD1 3.41Å; N151-F161 WeakPolarHBondContact ND2-CE1 3.45Å; N151-F161 VanDerWaalsContact ND2-CE2 3.33Å; N151-F161 WeakPolarHBondContact ND2-CE2 3.43Å; N151-F161 WeakPolarHBondContact ND2-CZ 3.45Å; N151-F161 WeakPolarHBondContact OD1-CE1 3.45Å; N151-F161 VanDerWaalsContact OD1-CZ 3.24Å; N151-F161 WeakPolarHBondContact OD1-CZ 3.39Å; F161-S166 WeakPolarHBondContact CA-O 3.16Å; F161-L167 HydrophobicContact CE1-CD1 3.97Å; F161-L167 HydrophobicContact CZ-CD1 4.4Å
162G57.4Low77.6Confident19 Ų1967.9 Ų67.920%0.19635%0.345CS..  trans-50.6158.6173.900000110.2D164 G165 S166G162-D164 WeakPolarHBondContact CA-OD1 3.44Å; G162-D164 PolarHBondContact O-N 3.29Å; G162-G165 PolarHBondContact O-N 3.4Å; G162-S166 PolarHBondContact N-O 3Å
163D64.7Low78.6Confident191 Ų19161.2 Ų61.2100%1.02132%0.319SS*.THydrogen-bonded Turntrans-51.8-18.9175.2-66.8-31.3000112.5
164D74.8Confident79.4Confident76 Ų7658.7 Ų58.741%0.40631%0.306SS..THydrogen-bonded Turntrans-86.4-5.2176.269.7-23.9000115.5G162 S166G162-D164 WeakPolarHBondContact CA-OD1 3.44Å; G162-D164 PolarHBondContact O-N 3.29Å; D164-S166 WeakPolarHBondContact OD1-CB 3.49Å; D164-S166 PolarHBondContact OD1-N 3Å; D164-S166 PolarHBondContact OD1-OG 2.82Å; D164-S166 PolarHBondContact OD2-OG 2.86Å
165G80.8Confident80.4Confident9 Ų952.1 Ų52.19%0.09327%0.27CS..  trans82.714.4-177.900000115W143 G162W143-G165 PolarHBondContact NE1-O 2.81Å; G162-G165 PolarHBondContact O-N 3.4Å
166S88.3Confident81Confident2 Ų251.6 Ų51.61%0.01427%0.267CS..PPolyproline II helixtrans-80.6146.7-179.1-64.50000112.8L129 F161 G162 D164L129-S166 CarbonylContact O-C 3.57Å; L129-S166 VanDerWaalsContact O-CA 3.25Å; L129-S166 WeakPolarHBondContact O-CA 3.45Å; L129-S166 WeakPolarHBondContact O-CB 3.46Å; F161-S166 WeakPolarHBondContact CA-O 3.16Å; G162-S166 PolarHBondContact N-O 3Å; D164-S166 WeakPolarHBondContact OD1-CB 3.49Å; D164-S166 PolarHBondContact OD1-N 3Å; D164-S166 PolarHBondContact OD1-OG 2.82Å; D164-S166 PolarHBondContact OD2-OG 2.86Å
167L90.7Very high82Confident1 Ų145.6 Ų45.61%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-94.2122.3174.9-173.873.7000110.6V128 L129 W143 L150 I158 F161 Y180V128-L167 WeakPolarHBondContact CA-O 3.45Å; L129-L167 HydrophobicContact CB-CB 4.2Å; L129-L167 HydrophobicContact CD1-CD2 3.93Å; L129-L167 HydrophobicContact CG-CB 4.45Å; L129-L167 HydrophobicContact CG-CD2 4.49Å; L129-L167 PolarHBondContact N-O 2.97Å; L129-L167 PolarHBondContact O-N 3.13Å; W143-L167 HydrophobicContact CB-CD1 4.21Å; W143-L167 HydrophobicContact CB-CD2 4.37Å; W143-L167 HydrophobicContact CD2-CB 3.79Å; W143-L167 HydrophobicContact CD2-CD2 4.24Å; W143-L167 HydrophobicContact CE3-CB 4.45Å; W143-L167 HydrophobicContact CE3-CD2 4.33Å; W143-L167 HydrophobicContact CG-CB 3.9Å; W143-L167 HydrophobicContact CG-CD1 4.18Å; W143-L167 HydrophobicContact CG-CD2 4.28Å; W143-L167 HydrophobicContact CG-CG 4.36Å; W143-L167 HydrophobicContact CZ2-CB 4.26Å; L150-L167 HydrophobicContact CD1-CD1 4.4Å; L150-L167 HydrophobicContact CD1-CD2 3.87Å; I158-L167 HydrophobicContact CG2-CD1 3.6Å; I158-L167 HydrophobicContact CG2-CG 4.1Å; F161-L167 HydrophobicContact CE1-CD1 3.97Å; F161-L167 HydrophobicContact CZ-CD1 4.4Å; L167-Y180 HydrophobicContact CD2-CD1 3.77Å; L167-Y180 HydrophobicContact CD2-CE1 3.96Å
168Y90.3Very high82.6Confident85 Ų8543.2 Ų43.233%0.33323%0.227SC..EExtended strand (participates in β ladder)trans-103.4128.5178-59.8-104.5000111.5A127 V128 I158 N159A127-Y168 WeakPolarHBondContact O-CA 3.07Å; V128-Y168 HydrophobicContact CB-CD1 4.3Å; V128-Y168 HydrophobicContact CB-CE1 4.24Å; V128-Y168 HydrophobicContact CG1-CD1 4.01Å; V128-Y168 HydrophobicContact CG1-CE1 3.63Å; V128-Y168 HydrophobicContact CG1-CE2 4.42Å; V128-Y168 HydrophobicContact CG2-CD1 3.53Å; V128-Y168 HydrophobicContact CG2-CE1 3.57Å; I158-Y168 WeakPolarHBondContact CA-O 3.45Å; N159-Y168 PolarHBondContact N-O 3.44Å; N159-Y168 VanDerWaalsContact N-O 3.11Å; N159-Y168 WeakPolarHBondContact O-CB 3.46Å
169I92.4Very high83.3Confident1 Ų144.8 Ų44.81%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-112.2111.5171.7-52.1177.2000106.7S126 A127 D157 I158 V172 H176 L196S126-I169 CarbonylContact C-O 3.29Å; S126-I169 WeakPolarHBondContact CA-O 3.24Å; S126-I169 WeakPolarHBondContact CB-O 2.92Å; A127-I169 HydrophobicContact CB-CB 4.29Å; A127-I169 PolarHBondContact N-O 2.81Å; A127-I169 PolarHBondContact O-N 3.46Å; D157-I169 CarbonylContact O-C 3.59Å; I158-I169 HydrophobicContact CD1-CG1 4.44Å; I158-I169 HydrophobicContact CG1-CG1 4.21Å; I158-I169 HydrophobicContact CG1-CG2 4.43Å; I169-V172 HydrophobicContact CB-CG2 4.15Å; I169-V172 HydrophobicContact CG2-CG2 3.86Å; I169-H176 HydrophobicContact CD1-CB 4.45Å; I169-L196 HydrophobicContact CD1-CD2 3.55Å
170T89.8Confident84.5Confident58 Ų5841 Ų4136%0.35622%0.215SC..SBendtrans-71.4-37.5-170.855.90000112.7S126 D157 N159S126-T170 WeakPolarHBondContact CA-O 3.38Å; S126-T170 WeakPolarHBondContact CB-O 3.22Å; S126-T170 PolarHBondContact OG-O 3.2Å; D157-T170 PolarHBondContact O-N 3.4Å; D157-T170 PolarHBondContact O-OG1 2.81Å; N159-T170 HydrophobicContact CB-CG2 4.32Å; N159-T170 WeakPolarHBondContact ND2-CG2 3.45Å
171K89.7Confident86.2Confident120 Ų12036.1 Ų36.152%0.52219%0.191SC..SBendtrans-137.498.7178.7-171.4-179.8-179.4-176.70110.5H176K171-H176 PolarHBondContact O-CE1 2.96Å
172V92.1Very high87.5Confident0 Ų033.5 Ų33.50%018%0.18CC..  trans-72137.2-179.1176.70000110.9V121 G124 L125 A127 I169 V198V121-V172 HydrophobicContact CB-CG1 4.48Å; V121-V172 HydrophobicContact CG1-CB 4.22Å; V121-V172 HydrophobicContact CG1-CG1 4.44Å; V121-V172 HydrophobicContact CG1-CG2 4.02Å; G124-V172 PolarHBondContact N-O 2.78Å; L125-V172 VanDerWaalsContact O-CB 3.28Å; L125-V172 WeakPolarHBondContact O-CB 3.39Å; L125-V172 VanDerWaalsContact O-CG2 3.29Å; L125-V172 WeakPolarHBondContact O-CG2 3.29Å; L125-V172 PolarHBondContact O-N 2.87Å; A127-V172 HydrophobicContact CB-CG2 3.58Å; I169-V172 HydrophobicContact CB-CG2 4.15Å; I169-V172 HydrophobicContact CG2-CG2 3.86Å; V172-V198 HydrophobicContact CG1-CB 4.35Å; V172-V198 HydrophobicContact CG1-CG1 3.93Å; V172-V198 HydrophobicContact CG1-CG2 3.5Å; V172-V198 VanDerWaalsContact CG1-CG2 3.5Å
173T91.7Very high89.1Confident31 Ų3133.5 Ų33.519%0.1918%0.175CC..  trans-137.9169172.965.40000108.4I175 H176T173-I175 PolarHBondContact O-N 3.45Å; T173-I175 VanDerWaalsContact O-N 3.1Å; T173-I175 WeakPolarHBondContact OG1-CG1 3.48Å; T173-H176 PolarHBondContact N-ND1 3.43Å; T173-H176 WeakPolarHBondContact O-CB 3.33Å; T173-H176 PolarHBondContact O-N 2.86Å; T173-H176 PolarHBondContact O-ND1 3.38Å; T173-H176 PolarHBondContact OG1-ND1 3.01Å; T173-H176 VanDerWaalsContact OG1-ND1 3.08Å
174T91.8Very high90.2Very high0 Ų024.5 Ų24.50%013%0.126CC..G310 helixtrans-63.4-18.6-176.553.20000114.2H176 M177 V198 V200 I228 I465 H512 L513 S514T174-H176 PolarHBondContact O-N 2.89Å; T174-M177 WeakPolarHBondContact O-CB 3.46Å; T174-M177 PolarHBondContact O-N 2.91Å; T174-V198 HydrophobicContact CG2-CG1 4.27Å; T174-V200 HydrophobicContact CG2-CG2 3.84Å; T174-I228 HydrophobicContact CG2-CD1 3.9Å; T174-I465 HydrophobicContact CG2-CD1 3.78Å; T174-I465 HydrophobicContact CG2-CG1 4.39Å; T174-I465 HydrophobicContact CG2-CG2 4Å; T174-H512 CarbonylContact C-O 3.52Å; T174-H512 VanDerWaalsContact CB-O 3.3Å; T174-H512 WeakPolarHBondContact CB-O 3.49Å; T174-H512 PolarHBondContact OG1-O 3.05Å; T174-L513 HydrophobicContact CG2-CD2 4.16Å; T174-S514 PolarHBondContact O-N 3.45Å
175I91.8Very high90.5Very high29 Ų2923.7 Ų23.715%0.14912%0.118CC..G310 helixtrans-66.9-26.6174.980.3-172.6000111.6R145 T173 M177 Y510 H512 S514 V538R145-I175 PolarHBondContact NH2-O 2.79Å; T173-I175 PolarHBondContact O-N 3.45Å; T173-I175 VanDerWaalsContact O-N 3.1Å; T173-I175 WeakPolarHBondContact OG1-CG1 3.48Å; I175-M177 PolarHBondContact O-N 2.82Å; I175-Y510 WeakPolarHBondContact CG2-OH 3.26Å; I175-H512 PolarHBondContact N-O 3.3Å; I175-S514 CarbonylContact O-C 3.46Å; I175-S514 VanDerWaalsContact O-C 3.29Å; I175-V538 HydrophobicContact CB-CG2 4.44Å; I175-V538 HydrophobicContact CD1-CG2 4.3Å; I175-V538 HydrophobicContact CG1-CG2 3.91Å
176H92.6Very high90.3Very high3 Ų324.7 Ų24.71%0.01413%0.129CC..G310 helixtrans-77.9-12.7179.2-61.5104.8000112R145 I169 K171 T173 T174 Y180 L196R145-H176 PolarHBondContact NH1-O 3.27Å; I169-H176 HydrophobicContact CD1-CB 4.45Å; K171-H176 PolarHBondContact O-CE1 2.96Å; T173-H176 PolarHBondContact N-ND1 3.43Å; T173-H176 WeakPolarHBondContact O-CB 3.33Å; T173-H176 PolarHBondContact O-N 2.86Å; T173-H176 PolarHBondContact O-ND1 3.38Å; T173-H176 PolarHBondContact OG1-ND1 3.01Å; T173-H176 VanDerWaalsContact OG1-ND1 3.08Å; T174-H176 PolarHBondContact O-N 2.89Å; H176-Y180 WeakPolarHBondContact O-CE2 3.24Å; H176-Y180 PolarHBondContact O-OH 2.82Å; H176-Y180 VanDerWaalsContact O-OH 3.06Å; H176-L196 HydrophobicContact CB-CD2 4.06Å
177M93.5Very high90Very high3 Ų326.4 Ų26.42%0.01514%0.135CC..  trans-54142.8173.9-170.9-173.4-76.800110.5R145 T174 I175 L196 V198 G581R145-M177 PolarHBondContact NH1-O 3.43Å; R145-M177 PolarHBondContact NH2-O 2.9Å; T174-M177 WeakPolarHBondContact O-CB 3.46Å; T174-M177 PolarHBondContact O-N 2.91Å; I175-M177 PolarHBondContact O-N 2.82Å; M177-L196 WeakPolarHBondContact CA-O 3.31Å; M177-V198 HydrophobicContact CB-CG2 4.35Å; M177-V198 HydrophobicContact CE-CB 4.43Å; M177-G581 VanDerWaalsContact SD-CA 3.59Å
178G92.7Very high89.3Confident3 Ų333 Ų333%0.03117%0.166CC..EExtended strand (participates in β ladder)trans135.9-175.7177.100000114.2L196 Q580G178-L196 PolarHBondContact N-O 2.84Å; G178-L196 VanDerWaalsContact N-O 3.15Å; G178-L196 PolarHBondContact O-N 2.73Å; G178-Q580 VanDerWaalsContact CA-O 3.26Å; G178-Q580 WeakPolarHBondContact CA-O 3.4Å
179N93Very high89Confident48 Ų4836.7 Ų36.726%0.25719%0.191SC..EExtended strand (participates in β ladder)trans-91.8127.4179.9-61.8-19.2000110.5T193 V195 E582N179-T193 HydrophobicContact CB-CG2 4.07Å; N179-V195 WeakPolarHBondContact OD1-CG2 3.35Å; N179-E582 PolarHBondContact ND2-OE1 2.88Å
180Y93.6Very high88.8Confident2 Ų238.5 Ų38.51%0.00820%0.201CC..EExtended strand (participates in β ladder)trans-109148.6168.4-65.2-102.3000108L129 K144 R145 L150 L167 H176 T193 H194 L196L129-Y180 HydrophobicContact CD1-CD1 4.2Å; L129-Y180 HydrophobicContact CD1-CD2 3.84Å; L129-Y180 HydrophobicContact CD1-CE2 4.34Å; L129-Y180 HydrophobicContact CD1-CG 3.77Å; K144-Y180 CarbonylContact O-C 3.28Å; K144-Y180 VanDerWaalsContact O-CA 3.31Å; K144-Y180 WeakPolarHBondContact O-CA 3.17Å; R145-Y180 HydrophobicContact CB-CD1 4.14Å; R145-Y180 HydrophobicContact CB-CE1 4.16Å; R145-Y180 HydrophobicContact CG-CE1 4.3Å; R145-Y180 PolarHBondContact NH1-OH 3.22Å; L150-Y180 HydrophobicContact CD1-CD1 3.75Å; L150-Y180 HydrophobicContact CD1-CE1 3.73Å; L167-Y180 HydrophobicContact CD2-CD1 3.77Å; L167-Y180 HydrophobicContact CD2-CE1 3.96Å; H176-Y180 WeakPolarHBondContact O-CE2 3.24Å; H176-Y180 PolarHBondContact O-OH 2.82Å; H176-Y180 VanDerWaalsContact O-OH 3.06Å; Y180-T193 CarbonylContact O-C 3.58Å; Y180-T193 WeakPolarHBondContact O-CA 3.4Å; Y180-H194 PolarHBondContact N-O 2.9Å; Y180-H194 PolarHBondContact O-N 3Å; Y180-L196 HydrophobicContact CD2-CB 4.22Å; Y180-L196 HydrophobicContact CE2-CB 3.98Å; Y180-L196 HydrophobicContact CE2-CD2 4.12Å
181S93.9Very high89Confident23 Ų2341 Ų4116%0.16121%0.205CC..EExtended strand (participates in β ladder)trans-125.3127.5172.560.80000110.5W143 K144 H183 Q192W143-S181 CarbonylContact C-O 3.57Å; W143-S181 WeakPolarHBondContact CA-O 3.49Å; K144-S181 PolarHBondContact N-O 3.07Å; K144-S181 PolarHBondContact O-N 3.04Å; S181-H183 WeakPolarHBondContact CB-NE2 3.43Å; S181-H183 PolarHBondContact OG-CD2 2.94Å; S181-H183 PolarHBondContact OG-NE2 3.41Å; S181-Q192 CarbonylContact C-O 3.59Å; S181-Q192 VanDerWaalsContact CA-O 3.28Å; S181-Q192 WeakPolarHBondContact CA-O 3.26Å
182C92.8Very high89.2Confident0 Ų035.5 Ų35.50%018%0.181CC..EExtended strand (participates in β ladder)trans-94.7127.9170.575.50000108.9C131 I141 I142 W143 Y191 Q192C131-C182 VanDerWaalsContact CA-SG 3.55Å; C131-C182 HydrophobicContact CB-CB 3.72Å; C131-C182 WeakPolarHBondContact CB-SG 3.31Å; C131-C182 WeakPolarHBondContact SG-CB 3.01Å; C131-C182 CovalentContact SG-SG 2.05Å; C131-C182 PolarHBondContact SG-SG 3.16Å; I141-C182 HydrophobicContact CG2-CB 3.69Å; I142-C182 WeakPolarHBondContact O-CA 2.91Å; W143-C182 HydrophobicContact CD2-CB 3.84Å; W143-C182 HydrophobicContact CE3-CB 3.87Å; W143-C182 HydrophobicContact CH2-CB 3.74Å; W143-C182 HydrophobicContact CZ2-CB 3.66Å; W143-C182 HydrophobicContact CZ3-CB 3.83Å; C182-Y191 VanDerWaalsContact O-CA 3.25Å; C182-Y191 WeakPolarHBondContact O-CA 3.26Å; C182-Y191 WeakPolarHBondContact O-CB 3.08Å; C182-Q192 PolarHBondContact N-O 2.81Å; C182-Q192 PolarHBondContact O-N 3.49Å; C182-Q192 VanDerWaalsContact O-N 3.11Å
183H91.1Very high89.4Confident19 Ų1937 Ų379%0.08819%0.19CC..EExtended strand (participates in β ladder)trans-119.1142.8177.6-60.2-102.9000108.5I141 I142 S181 E188 Y191I141-H183 WeakPolarHBondContact CA-O 3.47Å; I142-H183 PolarHBondContact N-O 3Å; I142-H183 PolarHBondContact O-N 2.93Å; S181-H183 WeakPolarHBondContact CB-NE2 3.43Å; S181-H183 PolarHBondContact OG-CD2 2.94Å; S181-H183 PolarHBondContact OG-NE2 3.41Å; H183-E188 PolarHBondContact ND1-O 2.91Å; H183-E188 VanDerWaalsContact ND1-O 3.15Å; H183-Y191 WeakPolarHBondContact CE1-CB 3.3Å; H183-Y191 AromaticContact CE1-CG 3.73Å; H183-Y191 WeakPolarHBondContact ND1-CB 3.45Å
184A86.6Confident89.5Confident1 Ų136 Ų361%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-79.3131.5166.900000108.9L108 I133 P139 I141 G186 Y187L108-A184 HydrophobicContact CD1-CB 3.52Å; I133-A184 HydrophobicContact CD1-CB 4.14Å; I133-A184 HydrophobicContact CG2-CB 4.24Å; P139-A184 HydrophobicContact CG-CB 4.11Å; I141-A184 HydrophobicContact CD1-CB 4.48Å; A184-G186 PolarHBondContact O-N 3.47Å; A184-Y187 PolarHBondContact O-N 2.87Å
185Y80.6Confident89.7Confident59 Ų5936.4 Ų36.423%0.23119%0.186CC..THydrogen-bonded Turntrans-54.4131.8-179-173.9-81.8000111.1Y85 Y88 T101 P140 I142 Y187Y85-Y185 PolarHBondContact O-OH 3.18Å; Y88-Y185 HydrophobicContact CD1-CE1 4.39Å; Y88-Y185 AromaticContact CE1-CD1 3.61Å; Y88-Y185 HydrophobicContact CE1-CD1 3.61Å; Y88-Y185 HydrophobicContact CE1-CD2 4.35Å; Y88-Y185 AromaticContact CE1-CE1 3.22Å; Y88-Y185 HydrophobicContact CE1-CE1 3.22Å; Y88-Y185 HydrophobicContact CE1-CE2 4.06Å; Y88-Y185 HydrophobicContact CE1-CG 4.18Å; Y88-Y185 AromaticContact CE1-CZ 3.47Å; Y88-Y185 VanDerWaalsContact CE1-CZ 3.47Å; Y88-Y185 HydrophobicContact CE2-CD1 4.4Å; Y88-Y185 AromaticContact CZ-CD1 3.5Å; Y88-Y185 AromaticContact CZ-CE1 3.38Å; Y88-Y185 VanDerWaalsContact OH-CD1 3.31Å; Y88-Y185 WeakPolarHBondContact OH-CD1 3.29Å; Y88-Y185 WeakPolarHBondContact OH-CE1 3.42Å; T101-Y185 HydrophobicContact CG2-CD1 4.12Å; P140-Y185 WeakPolarHBondContact O-CB 3.15Å; P140-Y185 PolarHBondContact O-N 2.77Å; I142-Y185 HydrophobicContact CD1-CD2 3.45Å; I142-Y185 VanDerWaalsContact CD1-CD2 3.45Å; I142-Y185 HydrophobicContact CD1-CE2 4.29Å; I142-Y185 HydrophobicContact CD1-CG 4.16Å; I142-Y185 HydrophobicContact CG1-CD2 4.19Å; Y185-Y187 VanDerWaalsContact C-N 3.29Å; Y185-Y187 WeakPolarHBondContact O-CD2 3.37Å; Y185-Y187 PolarHBondContact O-N 2.03Å
186G76.4Confident89.8Confident31 Ų3135 Ų3532%0.3218%0.178SC..THydrogen-bonded Turntrans80.9-4.8-176.600000115.4Q104 A184Q104-G186 PolarHBondContact NE2-O 3.26Å; A184-G186 PolarHBondContact O-N 3.47Å
187Y82.4Confident89.9Confident38 Ų3836.3 Ų36.315%0.14919%0.185CC..EExtended strand (participates in β ladder)trans-124.669179.7-64.4-100.3000111Q104 V106 L108 P139 A184 Y185 D189 L190Q104-Y187 WeakPolarHBondContact CA-OH 3.37Å; Q104-Y187 HydrophobicContact CB-CE1 4.01Å; Q104-Y187 HydrophobicContact CB-CE2 4.3Å; Q104-Y187 HydrophobicContact CG-CE1 4.32Å; Q104-Y187 HydrophobicContact CG-CE2 4.23Å; Q104-Y187 PolarHBondContact O-OH 2.89Å; V106-Y187 PolarHBondContact N-OH 3.28Å; V106-Y187 VanDerWaalsContact N-OH 3.16Å; V106-Y187 PolarHBondContact O-OH 2.67Å; L108-Y187 HydrophobicContact CD1-CD1 4.16Å; L108-Y187 HydrophobicContact CD1-CD2 3.54Å; L108-Y187 HydrophobicContact CD1-CE1 4.31Å; L108-Y187 HydrophobicContact CD1-CE2 3.75Å; L108-Y187 HydrophobicContact CD1-CG 3.76Å; L108-Y187 HydrophobicContact CG-CE2 4.49Å; P139-Y187 HydrophobicContact CG-CD2 4.46Å; P139-Y187 HydrophobicContact CG-CE2 4.36Å; A184-Y187 PolarHBondContact O-N 2.87Å; Y185-Y187 VanDerWaalsContact C-N 3.29Å; Y185-Y187 WeakPolarHBondContact O-CD2 3.37Å; Y185-Y187 PolarHBondContact O-N 2.03Å; Y187-D189 VanDerWaalsContact C-N 3.3Å; Y187-D189 PolarHBondContact O-N 2.83Å; Y187-L190 PolarHBondContact O-N 3.46Å; Y187-L190 VanDerWaalsContact O-N 3.11Å
188E76.9Confident89.9Confident140 Ų14036.2 Ų36.265%0.65418%0.184SC*.EExtended strand (participates in β ladder)trans-60.6-36.7-171.7-60.8-161.7138.300113.9H183 L190H183-E188 PolarHBondContact ND1-O 2.91Å; H183-E188 VanDerWaalsContact ND1-O 3.15Å; E188-L190 VanDerWaalsContact C-N 3.26Å; E188-L190 PolarHBondContact O-N 3.32Å
189D84.2Confident90Very high161 Ų16136.5 Ų36.586%0.86119%0.185SC*.EExtended strand (participates in β ladder)trans-73.9-14.7-179.3-64.1-36.8000113.5Y187Y187-D189 VanDerWaalsContact C-N 3.3Å; Y187-D189 PolarHBondContact O-N 2.83Å
190L87.4Confident90Very high39 Ų3934.8 Ų34.820%0.20418%0.176CC..EExtended strand (participates in β ladder)trans-100.6102.9175.9-174.469000109.7L108 L110 I133 Y187 E188L108-L190 HydrophobicContact CB-CD2 3.41Å; L108-L190 VanDerWaalsContact CB-CD2 3.41Å; L108-L190 HydrophobicContact CD1-CD2 4.1Å; L108-L190 HydrophobicContact CG-CD2 4.41Å; L110-L190 HydrophobicContact CB-CD1 3.74Å; L110-L190 HydrophobicContact CB-CG 4.5Å; I133-L190 HydrophobicContact CG2-CD2 4.04Å; Y187-L190 PolarHBondContact O-N 3.46Å; Y187-L190 VanDerWaalsContact O-N 3.11Å; E188-L190 VanDerWaalsContact C-N 3.26Å; E188-L190 PolarHBondContact O-N 3.32Å
191Y93.4Very high90Very high112 Ų11237 Ų3744%0.43919%0.191SC..EExtended strand (participates in β ladder)trans-144.7153.3-178.865.6-87.3000112.3L110 C182 H183L110-Y191 VanDerWaalsContact CD2-C 3.49Å; L110-Y191 WeakPolarHBondContact CD2-O 3.49Å; C182-Y191 VanDerWaalsContact O-CA 3.25Å; C182-Y191 WeakPolarHBondContact O-CA 3.26Å; C182-Y191 WeakPolarHBondContact O-CB 3.08Å; H183-Y191 WeakPolarHBondContact CE1-CB 3.3Å; H183-Y191 AromaticContact CE1-CG 3.73Å; H183-Y191 WeakPolarHBondContact ND1-CB 3.45Å
192Q94.9Very high89.9Confident3 Ų336.2 Ų36.21%0.01419%0.185CC..EExtended strand (participates in β ladder)trans-110.2135.7166.6168-17931.300108.4L110 Q114 R115 S117 S181 C182L110-Q192 HydrophobicContact CD1-CB 4.27Å; L110-Q192 HydrophobicContact CD2-CB 3.87Å; Q114-Q192 WeakPolarHBondContact O-CG 3.5Å; Q114-Q192 PolarHBondContact O-NE2 3.27Å; R115-Q192 CarbonylContact O-C 3.55Å; R115-Q192 WeakPolarHBondContact O-CA 3.13Å; S117-Q192 PolarHBondContact OG-NE2 3.29Å; S117-Q192 VanDerWaalsContact OG-NE2 3.16Å; S181-Q192 CarbonylContact C-O 3.59Å; S181-Q192 VanDerWaalsContact CA-O 3.28Å; S181-Q192 WeakPolarHBondContact CA-O 3.26Å; C182-Q192 PolarHBondContact N-O 2.81Å; C182-Q192 PolarHBondContact O-N 3.49Å; C182-Q192 VanDerWaalsContact O-N 3.11Å
193T95.3Very high89.8Confident33 Ų3338.4 Ų38.420%0.20220%0.199CC..EExtended strand (participates in β ladder)trans-92.3124.6170.5-59.10000109.2R115 I116 S117 N179 Y180R115-T193 PolarHBondContact O-N 2.86Å; I116-T193 CarbonylContact C-O 3.56Å; I116-T193 VanDerWaalsContact CA-O 3.25Å; I116-T193 WeakPolarHBondContact CA-O 3.34Å; S117-T193 PolarHBondContact N-O 3.33Å; N179-T193 HydrophobicContact CB-CG2 4.07Å; Y180-T193 CarbonylContact O-C 3.58Å; Y180-T193 WeakPolarHBondContact O-CA 3.4Å
194H95Very high89.5Confident8 Ų837.5 Ų37.54%0.03719%0.194CC..EExtended strand (participates in β ladder)trans-108.4116.7174.3-159.6111.1000109.5S117 S119 W143 Y180S117-H194 WeakPolarHBondContact O-CA 3.4Å; S117-H194 WeakPolarHBondContact OG-CA 3.41Å; S117-H194 WeakPolarHBondContact OG-CB 3.45Å; S117-H194 PolarHBondContact OG-ND1 2.88Å; S119-H194 PolarHBondContact OG-NE2 2.82Å; W143-H194 HydrophobicContact CH2-CB 4.13Å; W143-H194 HydrophobicContact CZ3-CB 3.9Å; Y180-H194 PolarHBondContact N-O 2.9Å; Y180-H194 PolarHBondContact O-N 3Å
195V95.1Very high89.1Confident9 Ų939.1 Ų39.16%0.05520%0.203CC..EExtended strand (participates in β ladder)trans-90.3114.4177.9-173.60000108.8I116 S117 T118 S119 N179 Q197 Q580I116-V195 HydrophobicContact CG2-CG2 4.21Å; S117-V195 PolarHBondContact O-N 2.91Å; T118-V195 WeakPolarHBondContact CA-O 3.41Å; T118-V195 HydrophobicContact CG2-CB 4.21Å; T118-V195 HydrophobicContact CG2-CG1 4.48Å; S119-V195 PolarHBondContact N-O 2.91Å; N179-V195 WeakPolarHBondContact OD1-CG2 3.35Å; V195-Q197 HydrophobicContact CG1-CG 4.3Å; V195-Q580 HydrophobicContact CG1-CB 4.15Å; V195-Q580 HydrophobicContact CG1-CG 4.18Å
196L95.1Very high88.8Confident0 Ų037.6 Ų37.60%020%0.199CC..EExtended strand (participates in β ladder)trans-95.3115.8174.2-179.558.8000110S119 V121 A127 L129 I169 H176 M177 G178 Y180 V198S119-L196 WeakPolarHBondContact OG-CD1 3.42Å; V121-L196 HydrophobicContact CB-CD1 4.47Å; V121-L196 HydrophobicContact CG2-CD1 4.03Å; A127-L196 HydrophobicContact CB-CD1 4.4Å; L129-L196 HydrophobicContact CD2-CD1 4.25Å; I169-L196 HydrophobicContact CD1-CD2 3.55Å; H176-L196 HydrophobicContact CB-CD2 4.06Å; M177-L196 WeakPolarHBondContact CA-O 3.31Å; G178-L196 PolarHBondContact N-O 2.84Å; G178-L196 VanDerWaalsContact N-O 3.15Å; G178-L196 PolarHBondContact O-N 2.73Å; Y180-L196 HydrophobicContact CD2-CB 4.22Å; Y180-L196 HydrophobicContact CE2-CB 3.98Å; Y180-L196 HydrophobicContact CE2-CD2 4.12Å; L196-V198 HydrophobicContact CG-CG2 4.5Å
197Q94.8Very high89Confident31 Ų3141.8 Ų41.815%0.14521%0.206CC..EExtended strand (participates in β ladder)trans-103.3141.8173.3-65.7176.2-19.100109.5T118 S119 T120 V121 V195 F579T118-Q197 HydrophobicContact CG2-CG 4.25Å; S119-Q197 PolarHBondContact O-N 3.41Å; T120-Q197 WeakPolarHBondContact CA-O 3.46Å; T120-Q197 HydrophobicContact CG2-CB 4.15Å; T120-Q197 PolarHBondContact OG1-OE1 2.95Å; T120-Q197 VanDerWaalsContact OG1-OE1 3.12Å; V121-Q197 PolarHBondContact N-O 3.03Å; V195-Q197 HydrophobicContact CG1-CG 4.3Å; Q197-F579 HydrophobicContact CB-CE1 3.85Å; Q197-F579 HydrophobicContact CB-CZ 4.39Å; Q197-F579 HydrophobicContact CG-CD1 4.06Å; Q197-F579 HydrophobicContact CG-CE1 3.78Å
198V93.8Very high89Confident0 Ų040.3 Ų40.30%020%0.202CC..EExtended strand (participates in β ladder)trans-121.5121-178.3-1760000109.5V121 V123 V172 T174 M177 L196 I228V121-V198 CarbonylContact O-C 3.59Å; V121-V198 VanDerWaalsContact O-CA 3.24Å; V121-V198 WeakPolarHBondContact O-CA 3.15Å; V123-V198 HydrophobicContact CB-CG1 4.28Å; V172-V198 HydrophobicContact CG1-CB 4.35Å; V172-V198 HydrophobicContact CG1-CG1 3.93Å; V172-V198 HydrophobicContact CG1-CG2 3.5Å; V172-V198 VanDerWaalsContact CG1-CG2 3.5Å; T174-V198 HydrophobicContact CG2-CG1 4.27Å; M177-V198 HydrophobicContact CB-CG2 4.35Å; M177-V198 HydrophobicContact CE-CB 4.43Å; L196-V198 HydrophobicContact CG-CG2 4.5Å; V198-I228 WeakPolarHBondContact O-CG2 3.28Å
199N93.9Very high89Confident9 Ų939.7 Ų39.75%0.04820%0.199CC..EExtended strand (participates in β ladder)trans-94.1143.4174.1-73.3-0.5000111.1T120 V121 T122 V123 I228 E279 V280 F579T120-N199 HydrophobicContact CG2-CB 4.47Å; T120-N199 VanDerWaalsContact CG2-CG 3.48Å; T120-N199 WeakPolarHBondContact CG2-ND2 3.33Å; T120-N199 WeakPolarHBondContact CG2-OD1 3.48Å; V121-N199 PolarHBondContact O-N 3.5Å; T122-N199 CarbonylContact C-O 3.51Å; T122-N199 WeakPolarHBondContact CA-O 3.47Å; V123-N199 PolarHBondContact N-O 2.87Å; N199-I228 CarbonylContact C-O 3.5Å; N199-I228 WeakPolarHBondContact CA-O 3.15Å; N199-I228 VanDerWaalsContact CB-O 3.3Å; N199-I228 WeakPolarHBondContact CB-O 3.29Å; N199-E279 PolarHBondContact ND2-OE1 2.89Å; N199-V280 HydrophobicContact CB-CG2 3.45Å; N199-V280 VanDerWaalsContact CB-CG2 3.45Å; N199-V280 VanDerWaalsContact ND2-CG2 3.34Å; N199-V280 WeakPolarHBondContact ND2-CG2 3.18Å; N199-F579 WeakPolarHBondContact OD1-CZ 3.31Å
200V91.9Very high88.8Confident12 Ų1236.3 Ų36.37%0.07318%0.184CC..EExtended strand (participates in β ladder)trans-124.2124.4178.3-178.70000107.5V123 T174 I228 N278 I465V123-V200 HydrophobicContact CB-CG2 4.32Å; V123-V200 HydrophobicContact CG1-CG1 4.45Å; V123-V200 HydrophobicContact CG1-CG2 4.31Å; T174-V200 HydrophobicContact CG2-CG2 3.84Å; V200-I228 HydrophobicContact CB-CB 3.87Å; V200-I228 HydrophobicContact CB-CG1 4.11Å; V200-I228 HydrophobicContact CG2-CB 3.95Å; V200-I228 HydrophobicContact CG2-CD1 3.88Å; V200-I228 HydrophobicContact CG2-CG1 4.01Å; V200-I228 PolarHBondContact N-O 3.04Å; V200-I228 PolarHBondContact O-N 2.83Å; V200-I228 VanDerWaalsContact O-O 3.07Å; V200-N278 PolarHBondContact O-ND2 2.96Å; V200-I465 HydrophobicContact CG1-CD1 4.49Å; V200-I465 HydrophobicContact CG1-CG1 4.02Å; V200-I465 HydrophobicContact CG2-CD1 4.09Å; V200-I465 HydrophobicContact CG2-CG1 4.09Å
201P93.6Very high88.4Confident48 Ų4836.1 Ų36.131%0.31218%0.182SC..EExtended strand (participates in β ladder)trans-61.9157.2176.327.9-34.6000111V280P201-V280 HydrophobicContact CB-CG1 4.24Å
202P92.8Very high87.8Confident7 Ų733 Ų335%0.04518%0.179CC..EExtended strand (participates in β ladder)trans-63.2142.2179-18.434000110.7D226 P231 A276 N278 G281 D283P202-D226 CarbonylContact C-O 3.55Å; P202-D226 WeakPolarHBondContact CA-O 3.47Å; P202-P231 HydrophobicContact CB-CB 3.78Å; P202-P231 HydrophobicContact CB-CG 4.31Å; P202-P231 HydrophobicContact CG-CB 3.99Å; P202-A276 HydrophobicContact CB-CB 3.94Å; P202-N278 VanDerWaalsContact CD-OD1 3.26Å; P202-N278 WeakPolarHBondContact CD-OD1 3.31Å; P202-N278 HydrophobicContact CG-CB 4Å; P202-N278 VanDerWaalsContact CG-N 3.34Å; P202-G281 VanDerWaalsContact CD-C 3.43Å; P202-G281 WeakPolarHBondContact CD-O 3.3Å; P202-G281 WeakPolarHBondContact CG-O 3.29Å; P202-D283 HydrophobicContact CB-CB 4.48Å; P202-D283 WeakPolarHBondContact O-CB 2.86Å
203V89.6Confident87.3Confident47 Ų4735 Ų3529%0.28519%0.189SC..EExtended strand (participates in β ladder)trans-134.2122.1167.4-176.40000108.1L205 A225 D226 D283 L464V203-L205 PolarHBondContact O-N 3.04Å; V203-A225 CarbonylContact O-C 3.55Å; V203-A225 WeakPolarHBondContact O-CA 3.37Å; V203-A225 WeakPolarHBondContact O-CB 3.43Å; V203-D226 PolarHBondContact N-O 3.02Å; V203-D226 PolarHBondContact O-N 2.73Å; V203-D283 WeakPolarHBondContact CA-OD2 3.25Å; V203-L464 HydrophobicContact CB-CD1 3.97Å; V203-L464 HydrophobicContact CB-CD2 3.98Å; V203-L464 HydrophobicContact CG1-CD1 4.44Å; V203-L464 HydrophobicContact CG1-CD2 3.61Å; V203-L464 HydrophobicContact CG2-CD2 4.42Å
204I86.1Confident86.8Confident0 Ų036.7 Ų36.70%019%0.194CC..EExtended strand (participates in β ladder)trans-70.3122.3173.1-65.3175.2000108V206 Y207 H224 A225 A276 D283 D285I204-V206 WeakPolarHBondContact CG2-O 3.37Å; I204-Y207 HydrophobicContact CB-CD1 4.37Å; I204-Y207 HydrophobicContact CB-CE1 3.96Å; I204-Y207 HydrophobicContact CG2-CD1 3.57Å; I204-Y207 HydrophobicContact CG2-CE1 3.64Å; I204-Y207 HydrophobicContact CG2-CG 4.44Å; I204-Y207 PolarHBondContact O-OH 2.87Å; I204-H224 CarbonylContact C-O 3.16Å; I204-H224 WeakPolarHBondContact CA-O 3.31Å; I204-A225 HydrophobicContact CG1-CB 4.05Å; I204-A276 HydrophobicContact CD1-CB 4.25Å; I204-A276 HydrophobicContact CG1-CB 3.74Å; I204-D283 HydrophobicContact CG1-CB 4.23Å; I204-D283 PolarHBondContact N-OD2 2.78Å; I204-D285 HydrophobicContact CD1-CB 4.23Å
205L77.4Confident86.6Confident35 Ų3538.7 Ų38.718%0.18321%0.208CC..EExtended strand (participates in β ladder)trans-103.1-30.7179.4-71.8179.4000112.6V203 H224 D226 L464 F662V203-L205 PolarHBondContact O-N 3.04Å; L205-H224 PolarHBondContact N-O 3.35Å; L205-D226 HydrophobicContact CD1-CB 3.77Å; L205-L464 HydrophobicContact CD1-CD1 3.8Å; L205-L464 HydrophobicContact CD1-CG 4.48Å; L205-L464 HydrophobicContact CD2-CD1 3.63Å; L205-L464 HydrophobicContact CD2-CD2 3.49Å; L205-L464 VanDerWaalsContact CD2-CD2 3.49Å; L205-L464 HydrophobicContact CD2-CG 3.66Å; L205-L464 HydrophobicContact CG-CD1 3.81Å; L205-L464 HydrophobicContact CG-CG 4.4Å; L205-F662 HydrophobicContact CB-CE2 3.62Å; L205-F662 HydrophobicContact CB-CZ 3.82Å; L205-F662 HydrophobicContact CD1-CE2 4.24Å; L205-F662 HydrophobicContact CD1-CZ 3.9Å
206V75.7Confident86.2Confident26 Ų2640.4 Ų40.416%0.15823%0.228CC..EExtended strand (participates in β ladder)trans-113.1115.8171.2-1800000107.7I204 H222 C223 H224 F662I204-V206 WeakPolarHBondContact CG2-O 3.37Å; V206-H222 HydrophobicContact CG1-CB 4.08Å; V206-C223 VanDerWaalsContact O-CA 3.31Å; V206-C223 WeakPolarHBondContact O-CA 3.47Å; V206-H224 HydrophobicContact CB-CB 3.87Å; V206-H224 HydrophobicContact CG2-CB 3.77Å; V206-H224 PolarHBondContact N-O 3.39Å; V206-H224 VanDerWaalsContact N-O 3.07Å; V206-H224 PolarHBondContact O-N 2.81Å; V206-F662 HydrophobicContact CB-CD2 4.47Å; V206-F662 HydrophobicContact CB-CG 4.48Å; V206-F662 HydrophobicContact CG2-CB 3.4Å; V206-F662 HydrophobicContact CG2-CD1 3.52Å; V206-F662 HydrophobicContact CG2-CD2 3.03Å; V206-F662 HydrophobicContact CG2-CE1 4.03Å; V206-F662 HydrophobicContact CG2-CE2 3.59Å; V206-F662 HydrophobicContact CG2-CG 2.98Å; V206-F662 HydrophobicContact CG2-CZ 4.06Å
207Y79.4Confident85.9Confident119 Ų11943.5 Ų43.547%0.46725%0.246SC..PPolyproline II helixtrans-85.7138.9172.9-57.3-64.6000109.2I204 E209 D285I204-Y207 HydrophobicContact CB-CD1 4.37Å; I204-Y207 HydrophobicContact CB-CE1 3.96Å; I204-Y207 HydrophobicContact CG2-CD1 3.57Å; I204-Y207 HydrophobicContact CG2-CE1 3.64Å; I204-Y207 HydrophobicContact CG2-CG 4.44Å; I204-Y207 PolarHBondContact O-OH 2.87Å; Y207-E209 PolarHBondContact O-N 3.26Å; Y207-D285 VanDerWaalsContact CB-OD2 3.23Å; Y207-D285 WeakPolarHBondContact CB-OD2 3.3Å; Y207-D285 HydrophobicContact CD1-CB 3.59Å; Y207-D285 VanDerWaalsContact CD1-CG 3.42Å; Y207-D285 WeakPolarHBondContact CD1-OD2 3.49Å; Y207-D285 HydrophobicContact CE1-CB 4.14Å
208P81.9Confident85.6Confident8 Ų844.7 Ų44.75%0.05226%0.258CS..PPolyproline II helixtrans-60.6128.3170.922.8-30.1000110.7L221 H222 W235 S287P208-L221 HydrophobicContact CB-CB 4.33Å; P208-H222 WeakPolarHBondContact CA-O 3.18Å; P208-W235 HydrophobicContact CB-CH2 3.86Å; P208-W235 HydrophobicContact CB-CZ3 4.16Å; P208-W235 HydrophobicContact CG-CH2 4.21Å; P208-W235 HydrophobicContact CG-CZ3 4.28Å; P208-S287 WeakPolarHBondContact O-CB 3.33Å; P208-S287 PolarHBondContact O-OG 2.9Å
209E77.6Confident85.3Confident127 Ų12744.9 Ų44.959%0.59326%0.259SS*.PPolyproline II helixtrans-79.9146.6175.7-70.2-177-178.900111.5Y207 L221 S287Y207-E209 PolarHBondContact O-N 3.26Å; E209-L221 WeakPolarHBondContact O-CD2 3.22Å; E209-S287 PolarHBondContact O-OG 2.81Å
210T79.4Confident84.9Confident90 Ų9045.3 Ų45.355%0.55226%0.263SS*.PPolyproline II helixtrans-73.3128.3174.9-74.30000109.9S287 S288 F290T210-S287 WeakPolarHBondContact CA-OG 3.39Å; T210-S287 PolarHBondContact N-OG 3.27Å; T210-S287 VanDerWaalsContact N-OG 3.1Å; T210-S287 PolarHBondContact OG1-OG 3.29Å; T210-S288 VanDerWaalsContact CA-O 3.31Å; T210-S288 WeakPolarHBondContact CA-O 3.3Å; T210-S288 WeakPolarHBondContact CG2-O 3.08Å; T210-S288 PolarHBondContact OG1-N 2.7Å; T210-F290 HydrophobicContact CG2-CD2 4.04Å; T210-F290 HydrophobicContact CG2-CE2 3.65Å
211Q78.9Confident84.6Confident35 Ų3544.8 Ų44.816%0.16426%0.26CS..EExtended strand (participates in β ladder)trans-123.6147-173.4-65.5-178.717.100112S220 L221 S288 L289 F290Q211-S220 PolarHBondContact NE2-O 2.82Å; Q211-L221 HydrophobicContact CG-CD2 4.36Å; Q211-S288 PolarHBondContact N-O 2.82Å; Q211-L289 HydrophobicContact CB-CD1 3.88Å; Q211-L289 WeakPolarHBondContact O-CA 3.24Å; Q211-F290 PolarHBondContact O-N 2.75Å
212A81.6Confident84Confident46 Ų4645.7 Ų45.738%0.3826%0.26SS..EExtended strand (participates in β ladder)trans-120.5112.2169.300000110.1F290 K297A212-F290 CarbonylContact C-O 3.58Å; A212-F290 WeakPolarHBondContact CA-O 3.22Å; A212-F290 HydrophobicContact CB-CB 4.35Å; A212-K297 WeakPolarHBondContact O-CE 3.4Å; A212-K297 PolarHBondContact O-NZ 2.59Å
213Q84Confident83.7Confident45 Ų4545.4 Ų45.421%0.2126%0.258CS..EExtended strand (participates in β ladder)trans-119151.4-175.3-62.5-63.65.500112.6A219 V264 L289 F290 V291 E292Q213-A219 HydrophobicContact CG-CB 4.08Å; Q213-V264 HydrophobicContact CB-CG1 4.37Å; Q213-V264 HydrophobicContact CB-CG2 4.35Å; Q213-L289 HydrophobicContact CB-CD1 4.42Å; Q213-L289 HydrophobicContact CG-CD1 4.05Å; Q213-F290 PolarHBondContact N-O 2.65Å; Q213-V291 WeakPolarHBondContact O-CA 3.12Å; Q213-E292 PolarHBondContact O-N 3.35Å; Q213-E292 VanDerWaalsContact O-N 3.13Å
214E85.3Confident83.4Confident69 Ų6944.3 Ų44.332%0.32225%0.25SC..  trans-81.6147.7174.1-66.9-176.7177.400110.1G216 V217 S294E214-G216 PolarHBondContact O-N 2.72Å; E214-V217 HydrophobicContact CB-CG2 4.06Å; E214-V217 PolarHBondContact O-N 3.13Å; E214-S294 VanDerWaalsContact OE1-CB 3.26Å; E214-S294 WeakPolarHBondContact OE1-CB 3.42Å
215P89.8Confident83.3Confident50 Ų5044.5 Ų44.533%0.32525%0.251SS..THydrogen-bonded Turntrans-54.5135.2173.1-21.229.5000111.5V264 Y266 V291P215-V264 CarbonylContact C-O 3.57Å; P215-V264 WeakPolarHBondContact CA-O 3.24Å; P215-Y266 HydrophobicContact CB-CE2 4.4Å; P215-Y266 HydrophobicContact CG-CE1 3.92Å; P215-Y266 HydrophobicContact CG-CE2 3.83Å; P215-Y266 VanDerWaalsContact CG-CZ 3.49Å; P215-V291 HydrophobicContact CB-CG1 4.44Å; P215-V291 HydrophobicContact CG-CG1 3.89Å
216G88.6Confident83.7Confident45 Ų4544.1 Ų44.146%0.46425%0.249SC..THydrogen-bonded Turntrans93.8-19.8178.200000115E214 S263 V264E214-G216 PolarHBondContact O-N 2.72Å; G216-S263 VanDerWaalsContact CA-OG 3.3Å; G216-S263 WeakPolarHBondContact CA-OG 3.19Å; G216-S263 PolarHBondContact O-OG 2.85Å; G216-V264 PolarHBondContact N-O 2.7Å
217V88.8Confident84.3Confident65 Ų6542.9 Ų42.939%0.39424%0.242SC..SBendtrans-82.8154.8177.6-173.10000110E214 V264E214-V217 HydrophobicContact CB-CG2 4.06Å; E214-V217 PolarHBondContact O-N 3.13Å; V217-V264 WeakPolarHBondContact O-CB 3.31Å; V217-V264 WeakPolarHBondContact O-CG2 3.46Å; V217-V264 PolarHBondContact O-N 3.26Å
218S88.1Confident84.8Confident56 Ų5638 Ų3839%0.39222%0.224SC..  trans-78.9151.4174.359.60000112.5I261 A262S218-I261 CarbonylContact C-O 3.54Å; S218-I261 WeakPolarHBondContact CA-O 3.43Å; S218-I261 VanDerWaalsContact CB-O 3.3Å; S218-I261 WeakPolarHBondContact CB-O 3.42Å; S218-A262 WeakPolarHBondContact CB-O 3.09Å
219A86.3Confident85.2Confident3 Ų339.6 Ų39.63%0.02523%0.234CC..EExtended strand (participates in β ladder)trans-125.6152170.700000110.7Q213 I261 V264 L289Q213-A219 HydrophobicContact CG-CB 4.08Å; A219-I261 HydrophobicContact CB-CB 4.21Å; A219-I261 HydrophobicContact CB-CD1 4.36Å; A219-I261 HydrophobicContact CB-CG1 4.38Å; A219-I261 PolarHBondContact N-O 3.47Å; A219-I261 PolarHBondContact O-N 2.8Å; A219-V264 HydrophobicContact CB-CG2 3.54Å; A219-L289 HydrophobicContact CB-CD1 4.18Å; A219-L289 HydrophobicContact CB-CD2 4.34Å
220S85.7Confident85.6Confident19 Ų1936.6 Ų36.613%0.13322%0.222CC..EExtended strand (participates in β ladder)trans-140.7119.5173.5-119.90000111.6Q211 E258 L259 F260Q211-S220 PolarHBondContact NE2-O 2.82Å; S220-E258 WeakPolarHBondContact CB-OE1 3.4Å; S220-E258 VanDerWaalsContact OG-CD 3.24Å; S220-E258 VanDerWaalsContact OG-CG 3.25Å; S220-E258 WeakPolarHBondContact OG-CG 3.04Å; S220-E258 PolarHBondContact OG-OE1 3.01Å; S220-L259 WeakPolarHBondContact CA-O 3.44Å; S220-F260 WeakPolarHBondContact OG-CD2 3.07Å
221L85.5Confident86.1Confident0 Ų032.6 Ų32.60%020%0.198CC..EExtended strand (participates in β ladder)trans-101.1126.6174.5-60172000108.3P208 E209 Q211 W235 E258 L259 Y272P208-L221 HydrophobicContact CB-CB 4.33Å; E209-L221 WeakPolarHBondContact O-CD2 3.22Å; Q211-L221 HydrophobicContact CG-CD2 4.36Å; L221-W235 HydrophobicContact CB-CH2 3.61Å; L221-W235 HydrophobicContact CB-CZ2 4.49Å; L221-W235 HydrophobicContact CB-CZ3 3.95Å; L221-W235 HydrophobicContact CD1-CZ3 4.27Å; L221-E258 CarbonylContact O-C 3.48Å; L221-E258 WeakPolarHBondContact O-CA 3.39Å; L221-L259 HydrophobicContact CB-CB 4.36Å; L221-L259 HydrophobicContact CD1-CD2 4.33Å; L221-L259 PolarHBondContact N-O 3.24Å; L221-L259 PolarHBondContact O-N 3.15Å; L221-Y272 HydrophobicContact CD1-CD1 4.05Å; L221-Y272 HydrophobicContact CD1-CD2 3.78Å; L221-Y272 HydrophobicContact CD1-CG 3.51Å
222H82.4Confident86.7Confident67 Ų6738.3 Ų38.331%0.3122%0.222SC..EExtended strand (participates in β ladder)trans-103143.8-178-61.686.8000110V206 P208 S257 E258V206-H222 HydrophobicContact CG1-CB 4.08Å; P208-H222 WeakPolarHBondContact CA-O 3.18Å; H222-S257 CarbonylContact C-O 3.54Å; H222-S257 WeakPolarHBondContact CA-O 3.37Å; H222-E258 IonicContact NE2-OE1 3.07Å
223C85.2Confident87.2Confident1 Ų136.9 Ų36.91%0.00721%0.208CC..  trans-147.4134.3172179.20000109V206 L233 W235 S257 C274V206-C223 VanDerWaalsContact O-CA 3.31Å; V206-C223 WeakPolarHBondContact O-CA 3.47Å; C223-L233 WeakPolarHBondContact O-CD1 3.47Å; C223-W235 HydrophobicContact CB-CH2 3.94Å; C223-W235 HydrophobicContact CB-CZ2 3.4Å; C223-S257 PolarHBondContact N-O 3.11Å; C223-S257 CarbonylContact O-C 3.51Å; C223-S257 WeakPolarHBondContact O-CA 3.39Å; C223-S257 VanDerWaalsContact O-CB 3.22Å; C223-S257 WeakPolarHBondContact O-CB 3.34Å; C223-C274 HydrophobicContact CB-CB 3.5Å; C223-C274 VanDerWaalsContact CB-CB 3.5Å; C223-C274 WeakPolarHBondContact CB-SG 3.34Å; C223-C274 WeakPolarHBondContact SG-CB 3.44Å; C223-C274 CovalentContact SG-SG 2.01Å; C223-C274 PolarHBondContact SG-SG 2.97Å
224H82.9Confident87.6Confident25 Ų2539.1 Ų39.112%0.11622%0.221CC..EExtended strand (participates in β ladder)trans-141.9138.5177.9-177.780.7000108.6I204 L205 V206 N608 F662I204-H224 CarbonylContact C-O 3.16Å; I204-H224 WeakPolarHBondContact CA-O 3.31Å; L205-H224 PolarHBondContact N-O 3.35Å; V206-H224 HydrophobicContact CB-CB 3.87Å; V206-H224 HydrophobicContact CG2-CB 3.77Å; V206-H224 PolarHBondContact N-O 3.39Å; V206-H224 VanDerWaalsContact N-O 3.07Å; V206-H224 PolarHBondContact O-N 2.81Å; H224-N608 PolarHBondContact CE1-OD1 3.21Å; H224-F662 HydrophobicContact CB-CD1 4.42Å; H224-F662 HydrophobicContact CB-CE1 4.07Å; H224-F662 HydrophobicContact CB-CZ 4.48Å; H224-F662 AromaticContact CD2-CE1 3.13Å; H224-F662 WeakPolarHBondContact CD2-CE1 3.38Å; H224-F662 AromaticContact CD2-CZ 3.24Å; H224-F662 WeakPolarHBondContact CD2-CZ 3.44Å; H224-F662 AromaticContact CG-CE1 3.58Å; H224-F662 AromaticContact NE2-CE1 3.64Å; H224-F662 AromaticContact NE2-CZ 3.89Å
225A85.1Confident88.1Confident3 Ų336.2 Ų36.23%0.02521%0.207CC..EExtended strand (participates in β ladder)trans-136.9144.9179.200000110.1V203 I204 P231 L233 A276 N608V203-A225 CarbonylContact O-C 3.55Å; V203-A225 WeakPolarHBondContact O-CA 3.37Å; V203-A225 WeakPolarHBondContact O-CB 3.43Å; I204-A225 HydrophobicContact CG1-CB 4.05Å; A225-P231 HydrophobicContact CB-CB 4.48Å; A225-P231 HydrophobicContact CB-CG 3.79Å; A225-P231 VanDerWaalsContact O-CG 3.3Å; A225-P231 WeakPolarHBondContact O-CG 3.38Å; A225-L233 HydrophobicContact CB-CD2 3.9Å; A225-A276 HydrophobicContact CB-CB 3.3Å; A225-N608 PolarHBondContact O-OD1 3.23Å
226D85.8Confident88.4Confident27 Ų2735.1 Ų35.114%0.14420%0.198CC..EExtended strand (participates in β ladder)trans-112.5158.6174.9-171.617.5000109.5P202 V203 L205 L464P202-D226 CarbonylContact C-O 3.55Å; P202-D226 WeakPolarHBondContact CA-O 3.47Å; V203-D226 PolarHBondContact N-O 3.02Å; V203-D226 PolarHBondContact O-N 2.73Å; L205-D226 HydrophobicContact CD1-CB 3.77Å; D226-L464 HydrophobicContact CB-CD1 3.7Å
227G88.3Confident88.6Confident1 Ų135 Ų351%0.0119%0.185CC..EExtended strand (participates in β ladder)trans164.5162.2-174.300000111.3P229 D230G227-P229 CarbonylContact C-O 3.58Å; G227-P229 VanDerWaalsContact C-O 3.28Å; G227-P229 CarbonylContact O-C 3.55Å; G227-D230 WeakPolarHBondContact O-CA 3.34Å; G227-D230 PolarHBondContact O-N 2.98Å
228I89.6Confident88.8Confident16 Ų1636.1 Ų36.18%0.08219%0.189CC..EExtended strand (participates in β ladder)trans-129112.3-177.3-58.9-179.4000108.1T174 V198 N199 V200 L513 F579T174-I228 HydrophobicContact CG2-CD1 3.9Å; V198-I228 WeakPolarHBondContact O-CG2 3.28Å; N199-I228 CarbonylContact C-O 3.5Å; N199-I228 WeakPolarHBondContact CA-O 3.15Å; N199-I228 VanDerWaalsContact CB-O 3.3Å; N199-I228 WeakPolarHBondContact CB-O 3.29Å; V200-I228 HydrophobicContact CB-CB 3.87Å; V200-I228 HydrophobicContact CB-CG1 4.11Å; V200-I228 HydrophobicContact CG2-CB 3.95Å; V200-I228 HydrophobicContact CG2-CD1 3.88Å; V200-I228 HydrophobicContact CG2-CG1 4.01Å; V200-I228 PolarHBondContact N-O 3.04Å; V200-I228 PolarHBondContact O-N 2.83Å; V200-I228 VanDerWaalsContact O-O 3.07Å; I228-L513 HydrophobicContact CD1-CD2 3.74Å; I228-F579 HydrophobicContact CG2-CD2 3.74Å; I228-F579 HydrophobicContact CG2-CE2 3.25Å; I228-F579 HydrophobicContact CG2-CZ 4.28Å
229P90.5Very high89Confident41 Ų4136.2 Ų36.227%0.26620%0.198SC..SBendcis-62.6161.9-7.1-20.533.6000113.9G227 N278 E279 F579G227-P229 CarbonylContact C-O 3.58Å; G227-P229 VanDerWaalsContact C-O 3.28Å; G227-P229 CarbonylContact O-C 3.55Å; P229-N278 WeakPolarHBondContact O-CB 2.78Å; P229-N278 PolarHBondContact O-ND2 2.88Å; P229-E279 WeakPolarHBondContact CD-OE1 3.38Å; P229-E279 HydrophobicContact CG-CG 4.14Å; P229-E279 WeakPolarHBondContact CG-OE1 3.43Å; P229-F579 HydrophobicContact CG-CE2 4.23Å; P229-F579 HydrophobicContact CG-CZ 4.41Å
230D86.8Confident89.3Confident65 Ų6542.3 Ų42.335%0.34823%0.228SC..PPolyproline II helixtrans-46.3123177.3-75.614000112.2G227 R560 N608G227-D230 WeakPolarHBondContact O-CA 3.34Å; G227-D230 PolarHBondContact O-N 2.98Å; D230-R560 IonicContact OD1-CZ 3.65Å; D230-R560 IonicContact OD1-NH1 3.86Å; D230-R560 IonicContact OD1-NH2 2.97Å; D230-R560 PolarHBondContact OD1-NH2 2.66Å; D230-R560 IonicContact OD2-CZ 3.78Å; D230-R560 IonicContact OD2-NH1 3.25Å; D230-R560 PolarHBondContact OD2-NH1 2.82Å; D230-R560 VanDerWaalsContact OD2-NH1 3.11Å; D230-R560 IonicContact OD2-NH2 3.42Å; D230-R560 PolarHBondContact OD2-NH2 2.95Å; D230-N608 WeakPolarHBondContact CB-ND2 3.38Å; D230-N608 VanDerWaalsContact OD2-CB 3.31Å; D230-N608 WeakPolarHBondContact OD2-CB 3.14Å; D230-N608 PolarHBondContact OD2-ND2 2.95Å
231P90.3Very high89.5Confident6 Ų647 Ų474%0.03925%0.251CS..PPolyproline II helixtrans-74147.9-177.229.5-34.6000112.8P202 A225 A276 K277 N278P202-P231 HydrophobicContact CB-CB 3.78Å; P202-P231 HydrophobicContact CB-CG 4.31Å; P202-P231 HydrophobicContact CG-CB 3.99Å; A225-P231 HydrophobicContact CB-CB 4.48Å; A225-P231 HydrophobicContact CB-CG 3.79Å; A225-P231 VanDerWaalsContact O-CG 3.3Å; A225-P231 WeakPolarHBondContact O-CG 3.38Å; P231-A276 HydrophobicContact CB-CB 4.34Å; P231-K277 WeakPolarHBondContact CA-O 3.35Å; P231-N278 HydrophobicContact CB-CB 4.41Å
232K91.3Very high89.6Confident154 Ų15447.9 Ų47.967%0.6726%0.256SS*.EExtended strand (participates in β ladder)trans-91.7136.1170.1-65.9-178.1-180178.80109.8K277K232-K277 PolarHBondContact N-O 2.5Å; K232-K277 PolarHBondContact O-N 3.25Å
233L91.6Very high89.5Confident17 Ų1750.6 Ų50.69%0.08927%0.269CS..EExtended strand (participates in β ladder)trans-96.4137.6178-60.3179.3000111.3C223 A225 I275 A276C223-L233 WeakPolarHBondContact O-CD1 3.47Å; A225-L233 HydrophobicContact CB-CD2 3.9Å; L233-I275 CarbonylContact C-O 3.56Å; L233-I275 WeakPolarHBondContact CA-O 3.04Å; L233-A276 HydrophobicContact CD2-CB 3.64Å
234L92.7Very high89.4Confident91 Ų9153.3 Ų53.348%0.47628%0.283SS..EExtended strand (participates in β ladder)trans-130.2145.8178.6-66.6155.5000108.2C274 I275L234-C274 CarbonylContact O-C 3.54Å; L234-C274 WeakPolarHBondContact O-CA 3.39Å; L234-I275 HydrophobicContact CB-CB 4.21Å; L234-I275 PolarHBondContact N-O 3.12Å; L234-I275 PolarHBondContact O-N 3.42Å
235W94.8Very high89Confident9 Ų957.9 Ų57.93%0.03432%0.318CS..EExtended strand (participates in β ladder)trans-123.9136.5179.1-74.984.4000111.7P208 L221 C223 L242 L252 G256 L259 T273 C274P208-W235 HydrophobicContact CB-CH2 3.86Å; P208-W235 HydrophobicContact CB-CZ3 4.16Å; P208-W235 HydrophobicContact CG-CH2 4.21Å; P208-W235 HydrophobicContact CG-CZ3 4.28Å; L221-W235 HydrophobicContact CB-CH2 3.61Å; L221-W235 HydrophobicContact CB-CZ2 4.49Å; L221-W235 HydrophobicContact CB-CZ3 3.95Å; L221-W235 HydrophobicContact CD1-CZ3 4.27Å; C223-W235 HydrophobicContact CB-CH2 3.94Å; C223-W235 HydrophobicContact CB-CZ2 3.4Å; W235-L242 HydrophobicContact CB-CD1 3.44Å; W235-L242 VanDerWaalsContact CB-CD1 3.44Å; W235-L242 HydrophobicContact CB-CG 4.08Å; W235-L242 HydrophobicContact CG-CD1 4.38Å; W235-L252 HydrophobicContact CB-CD2 4.27Å; W235-L252 HydrophobicContact CG-CD2 3.93Å; W235-G256 PolarHBondContact NE1-O 2.78Å; W235-L259 HydrophobicContact CD2-CB 3.98Å; W235-L259 HydrophobicContact CD2-CD2 4.15Å; W235-L259 HydrophobicContact CE3-CB 4.27Å; W235-L259 HydrophobicContact CE3-CD2 3.89Å; W235-L259 HydrophobicContact CG-CB 4.42Å; W235-L259 HydrophobicContact CG-CD2 4.5Å; W235-L259 HydrophobicContact CH2-CB 4.35Å; W235-L259 HydrophobicContact CZ2-CB 4.09Å; W235-L259 HydrophobicContact CZ3-CB 4.45Å; W235-L259 HydrophobicContact CZ3-CD2 4.38Å; W235-T273 CarbonylContact C-O 3.56Å; W235-T273 VanDerWaalsContact CA-O 3.29Å; W235-T273 WeakPolarHBondContact CA-O 3.45Å; W235-C274 HydrophobicContact CD2-CB 4.24Å; W235-C274 HydrophobicContact CE3-CB 4.21Å; W235-C274 HydrophobicContact CH2-CB 4.11Å; W235-C274 HydrophobicContact CZ2-CB 4.11Å; W235-C274 HydrophobicContact CZ3-CB 4.14Å
236L95.4Very high88.4Confident27 Ų2762.1 Ų62.114%0.14135%0.347CS..EExtended strand (participates in β ladder)trans-117148.7172.4-50-179.2000110M240 D241 Y272 T273 I275L236-M240 CarbonylContact C-O 3.58Å; L236-M240 VanDerWaalsContact CA-O 3.24Å; L236-M240 WeakPolarHBondContact CA-O 3.43Å; L236-D241 WeakPolarHBondContact CD2-OD1 3.47Å; L236-Y272 CarbonylContact O-C 3.54Å; L236-Y272 VanDerWaalsContact O-CA 3.28Å; L236-Y272 WeakPolarHBondContact O-CA 3.17Å; L236-T273 PolarHBondContact N-O 3.47Å; L236-T273 PolarHBondContact O-N 2.92Å; L236-I275 HydrophobicContact CD1-CD1 3.57Å; L236-I275 HydrophobicContact CG-CD1 3.95Å
237K94.2Very high88Confident41 Ų4162.7 Ų62.718%0.17835%0.353CS..EExtended strand (participates in β ladder)trans-116.1121.2165.9-179.2-178.1179.7-177.50108.8G239 M240 L242 E267 D268 A271 Y272K237-G239 PolarHBondContact O-N 3.15Å; K237-M240 PolarHBondContact N-O 2.94Å; K237-M240 PolarHBondContact O-N 2.82Å; K237-L242 HydrophobicContact CB-CD2 3.7Å; K237-E267 PolarHBondContact NZ-O 3.09Å; K237-D268 IonicContact NZ-OD1 3.2Å; K237-A271 CarbonylContact C-O 3.55Å; K237-A271 WeakPolarHBondContact CA-O 3.4Å; K237-Y272 HydrophobicContact CB-CD1 4.19Å; K237-Y272 HydrophobicContact CB-CE1 4.02Å; K237-Y272 HydrophobicContact CD-CE1 3.89Å; K237-Y272 WeakPolarHBondContact CE-OH 3.47Å; K237-Y272 HydrophobicContact CG-CD1 4.36Å; K237-Y272 HydrophobicContact CG-CE1 3.91Å; K237-Y272 HydrophobicContact CG-CE2 4.47Å
238N92.6Very high87.4Confident90 Ų9068.6 Ų68.648%0.48139%0.389SS..THydrogen-bonded Turntrans51.840.8-176.6-57.5-38.6000112.2M240 G270 A271N238-M240 VanDerWaalsContact C-N 3.28Å; N238-M240 PolarHBondContact O-N 2.8Å; N238-G270 WeakPolarHBondContact OD1-CA 3.35Å; N238-A271 PolarHBondContact N-O 3.4Å; N238-A271 PolarHBondContact OD1-N 3.1Å
239G92.2Very high87.2Confident57 Ų5769.7 Ų69.759%0.58839%0.394SS*.THydrogen-bonded Turntrans74.68.2-179.400000115.6K237K237-G239 PolarHBondContact O-N 3.15Å
240M92.8Very high87.2Confident131 Ų13168.9 Ų68.965%0.64539%0.387SS*.EExtended strand (participates in β ladder)trans-116.9148.7176.7-63.2-176.9-69.100111.2L236 K237 N238 L242L236-M240 CarbonylContact C-O 3.58Å; L236-M240 VanDerWaalsContact CA-O 3.24Å; L236-M240 WeakPolarHBondContact CA-O 3.43Å; K237-M240 PolarHBondContact N-O 2.94Å; K237-M240 PolarHBondContact O-N 2.82Å; N238-M240 VanDerWaalsContact C-N 3.28Å; N238-M240 PolarHBondContact O-N 2.8Å; M240-L242 PolarHBondContact O-N 3.28Å
241D90.4Very high87.4Confident117 Ų11767.6 Ų67.663%0.62638%0.384SS*.EExtended strand (participates in β ladder)trans-54.7139.2175.9-70.5-25000111.5L236 Q243L236-D241 WeakPolarHBondContact CD2-OD1 3.47Å; D241-Q243 PolarHBondContact O-N 3.49Å
242L87.8Confident87.3Confident19 Ų1970.4 Ų70.410%0.09940%0.398CS..  trans-60.8123.1171.5-67.2178.5000109.9W235 K237 M240 L244 L252 L259 Y272W235-L242 HydrophobicContact CB-CD1 3.44Å; W235-L242 VanDerWaalsContact CB-CD1 3.44Å; W235-L242 HydrophobicContact CB-CG 4.08Å; W235-L242 HydrophobicContact CG-CD1 4.38Å; K237-L242 HydrophobicContact CB-CD2 3.7Å; M240-L242 PolarHBondContact O-N 3.28Å; L242-L244 HydrophobicContact CB-CD1 3.7Å; L242-L244 HydrophobicContact CB-CG 3.95Å; L242-L244 HydrophobicContact CD1-CD1 4.21Å; L242-L244 PolarHBondContact O-N 2.99Å; L242-L252 HydrophobicContact CD1-CD2 4.26Å; L242-L259 HydrophobicContact CD1-CD1 3.52Å; L242-L259 HydrophobicContact CD1-CD2 3.91Å; L242-L259 HydrophobicContact CD1-CG 4.36Å; L242-L259 HydrophobicContact CD2-CD2 4.49Å; L242-Y272 HydrophobicContact CD2-CD1 4.46Å; L242-Y272 HydrophobicContact CD2-CE1 4.27Å
243Q80.1Confident86.9Confident125 Ų12566.4 Ų66.458%0.58438%0.383SS*.  trans-77.953.7174.9-62.4-68.2-25.700111.3D241 S245 S246 S247D241-Q243 PolarHBondContact O-N 3.49Å; Q243-S245 PolarHBondContact O-N 3.25Å; Q243-S246 VanDerWaalsContact CB-OG 3.28Å; Q243-S246 WeakPolarHBondContact CB-OG 3.4Å; Q243-S246 PolarHBondContact O-N 3.2Å; Q243-S246 PolarHBondContact O-OG 3.24Å; Q243-S247 PolarHBondContact O-N 3.17Å
244L81.9Confident86.2Confident58 Ų5866 Ų6630%0.30438%0.383SS..G310 helixtrans-53.2-38.9-176.3-80.2136.5000112.5L242 S246 S247 L250 L252L242-L244 HydrophobicContact CB-CD1 3.7Å; L242-L244 HydrophobicContact CB-CG 3.95Å; L242-L244 HydrophobicContact CD1-CD1 4.21Å; L242-L244 PolarHBondContact O-N 2.99Å; L244-S246 PolarHBondContact O-N 3.04Å; L244-S247 PolarHBondContact O-N 2.69Å; L244-L250 HydrophobicContact CD2-CB 4.49Å; L244-L252 HydrophobicContact CD1-CD1 3.65Å; L244-L252 HydrophobicContact CD1-CG 3.94Å; L244-L252 HydrophobicContact CD2-CG 3.96Å
245S75.7Confident85.6Confident121 Ų12166.9 Ų66.985%0.84639%0.388SS*.G310 helixtrans-65.7-20.1179.256.30000114.1Q243Q243-S245 PolarHBondContact O-N 3.25Å
246S71.7Confident85.1Confident92 Ų9266.6 Ų66.664%0.64339%0.388SS*.G310 helixtrans-106.8-10.3-178.873.40000113.6Q243 L244Q243-S246 VanDerWaalsContact CB-OG 3.28Å; Q243-S246 WeakPolarHBondContact CB-OG 3.4Å; Q243-S246 PolarHBondContact O-N 3.2Å; Q243-S246 PolarHBondContact O-OG 3.24Å; L244-S246 PolarHBondContact O-N 3.04Å
247S76.8Confident84.6Confident38 Ų3866 Ų6627%0.26639%0.385SS..  trans-103.8130.7-178.6-177.50000110.8Q243 L244 Q249 L250Q243-S247 PolarHBondContact O-N 3.17Å; L244-S247 PolarHBondContact O-N 2.69Å; S247-Q249 VanDerWaalsContact C-N 3.35Å; S247-Q249 PolarHBondContact OG-N 3.05Å; S247-L250 PolarHBondContact OG-N 3.11Å
248T77.2Confident84.2Confident126 Ų12664.4 Ų64.477%0.77338%0.379SS*.SBendtrans-90.5-2.6170.456.80000112.9
249Q85.1Confident84.1Confident39 Ų3960.1 Ų60.118%0.18236%0.356CS..SBendtrans-107.2-25.2-174.7-59.5-56.4-58.500113.4S247 I261 A262 S263S247-Q249 VanDerWaalsContact C-N 3.35Å; S247-Q249 PolarHBondContact OG-N 3.05Å; Q249-I261 CarbonylContact O-C 3.57Å; Q249-I261 WeakPolarHBondContact O-CA 3.03Å; Q249-A262 PolarHBondContact O-N 2.89Å; Q249-S263 VanDerWaalsContact OE1-CB 3.23Å
250L90.7Very high84Confident23 Ų2360.3 Ų60.312%0.1234%0.341CS..EExtended strand (participates in β ladder)trans-97.8133-178.5-71.5158.7000110.1L244 S247 L259 F260 I261L244-L250 HydrophobicContact CD2-CB 4.49Å; S247-L250 PolarHBondContact OG-N 3.11Å; L250-L259 HydrophobicContact CD2-CD1 3.95Å; L250-F260 WeakPolarHBondContact CA-O 3.31Å; L250-I261 HydrophobicContact CD2-CD1 4.08Å; L250-I261 HydrophobicContact CD2-CG1 3.76Å
251S89.9Confident84Confident39 Ų3954.1 Ų54.127%0.27331%0.31SS..EExtended strand (participates in β ladder)trans-142.1136.5173.256.30000110.7F260S251-F260 PolarHBondContact N-O 3.09Å; S251-F260 PolarHBondContact O-N 3.44Å
252L88.1Confident84Confident64 Ų6450.7 Ų50.734%0.33530%0.298SS..EExtended strand (participates in β ladder)trans-87120.9165.2-66.7177000108.7W235 L242 L244 E258 L259W235-L252 HydrophobicContact CB-CD2 4.27Å; W235-L252 HydrophobicContact CG-CD2 3.93Å; L242-L252 HydrophobicContact CD1-CD2 4.26Å; L244-L252 HydrophobicContact CD1-CD1 3.65Å; L244-L252 HydrophobicContact CD1-CG 3.94Å; L244-L252 HydrophobicContact CD2-CG 3.96Å; L252-E258 WeakPolarHBondContact CA-O 3.45Å; L252-L259 HydrophobicContact CD2-CB 4.21Å; L252-L259 HydrophobicContact CD2-CD1 3.85Å
253L83.1Confident84.2Confident70 Ų7051.6 Ų51.637%0.36631%0.306SS..EExtended strand (participates in β ladder)trans-104.5165.4172.5-53178.4000108.6N255 G256 S257 E258 F260L253-N255 PolarHBondContact O-N 2.84Å; L253-G256 CarbonylContact O-C 3.56Å; L253-G256 WeakPolarHBondContact O-CA 3.45Å; L253-G256 PolarHBondContact O-N 3.3Å; L253-S257 PolarHBondContact O-N 3.01Å; L253-E258 HydrophobicContact CB-CB 4.17Å; L253-E258 HydrophobicContact CB-CG 4.5Å; L253-E258 HydrophobicContact CD1-CG 4.48Å; L253-E258 PolarHBondContact N-O 3.48Å; L253-E258 PolarHBondContact O-N 3.46Å; L253-F260 HydrophobicContact CD1-CB 3.82Å; L253-F260 HydrophobicContact CD1-CG 4.29Å; L253-F260 HydrophobicContact CG-CB 4.24Å
254A77.8Confident84.8Confident9 Ų945.7 Ų45.77%0.07428%0.279CS..G310 helixtrans52.546.2173.200000116.3G256 S257 F604 T605A254-G256 PolarHBondContact O-N 3.13Å; A254-S257 WeakPolarHBondContact O-CB 3.47Å; A254-S257 PolarHBondContact O-N 3.43Å; A254-S257 PolarHBondContact O-OG 3.04Å; A254-F604 VanDerWaalsContact CB-O 3.29Å; A254-F604 WeakPolarHBondContact CB-O 3.39Å; A254-T605 WeakPolarHBondContact CA-O 3.36Å
255N79.6Confident85.2Confident110 Ų11048.6 Ų48.659%0.58829%0.285SS*.G310 helixtrans55.133.1-177.5-165.531.5000113L253 S607L253-N255 PolarHBondContact O-N 2.84Å; N255-S607 PolarHBondContact ND2-OG 2.92Å
256G84.4Confident85.9Confident3 Ų349.3 Ų49.33%0.03127%0.271CS..G310 helixtrans92.24.3-177.800000114.5W235 L253 A254 E258W235-G256 PolarHBondContact NE1-O 2.78Å; L253-G256 CarbonylContact O-C 3.56Å; L253-G256 WeakPolarHBondContact O-CA 3.45Å; L253-G256 PolarHBondContact O-N 3.3Å; A254-G256 PolarHBondContact O-N 3.13Å; G256-E258 VanDerWaalsContact C-N 3.28Å; G256-E258 PolarHBondContact O-N 3.31Å
257S84Confident86.7Confident13 Ų1351 Ų519%0.09127%0.269CS..THydrogen-bonded Turntrans-76.4-15.5178.3-44.60000113.8H222 C223 L253 A254H222-S257 CarbonylContact C-O 3.54Å; H222-S257 WeakPolarHBondContact CA-O 3.37Å; C223-S257 PolarHBondContact N-O 3.11Å; C223-S257 CarbonylContact O-C 3.51Å; C223-S257 WeakPolarHBondContact O-CA 3.39Å; C223-S257 VanDerWaalsContact O-CB 3.22Å; C223-S257 WeakPolarHBondContact O-CB 3.34Å; L253-S257 PolarHBondContact O-N 3.01Å; A254-S257 WeakPolarHBondContact O-CB 3.47Å; A254-S257 PolarHBondContact O-N 3.43Å; A254-S257 PolarHBondContact O-OG 3.04Å
258E85.9Confident87.3Confident9 Ų949.7 Ų49.74%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-135.4122.4176.1175.7178-161.500109.9S220 L221 H222 L252 L253 G256 K680S220-E258 WeakPolarHBondContact CB-OE1 3.4Å; S220-E258 VanDerWaalsContact OG-CD 3.24Å; S220-E258 VanDerWaalsContact OG-CG 3.25Å; S220-E258 WeakPolarHBondContact OG-CG 3.04Å; S220-E258 PolarHBondContact OG-OE1 3.01Å; L221-E258 CarbonylContact O-C 3.48Å; L221-E258 WeakPolarHBondContact O-CA 3.39Å; H222-E258 IonicContact NE2-OE1 3.07Å; L252-E258 WeakPolarHBondContact CA-O 3.45Å; L253-E258 HydrophobicContact CB-CB 4.17Å; L253-E258 HydrophobicContact CB-CG 4.5Å; L253-E258 HydrophobicContact CD1-CG 4.48Å; L253-E258 PolarHBondContact N-O 3.48Å; L253-E258 PolarHBondContact O-N 3.46Å; G256-E258 VanDerWaalsContact C-N 3.28Å; G256-E258 PolarHBondContact O-N 3.31Å; E258-K680 IonicContact OE1-NZ 2.79Å; E258-K680 PolarHBondContact OE1-NZ 2.66Å; E258-K680 IonicContact OE2-NZ 3.15Å; E258-K680 PolarHBondContact OE2-NZ 2.82Å
259L90.6Very high88Confident0 Ų046.4 Ų46.40%024%0.238CC..EExtended strand (participates in β ladder)trans-94.2104.5167.2174.961.3000108.9S220 L221 W235 L242 L250 L252 Y272S220-L259 WeakPolarHBondContact CA-O 3.44Å; L221-L259 HydrophobicContact CB-CB 4.36Å; L221-L259 HydrophobicContact CD1-CD2 4.33Å; L221-L259 PolarHBondContact N-O 3.24Å; L221-L259 PolarHBondContact O-N 3.15Å; W235-L259 HydrophobicContact CD2-CB 3.98Å; W235-L259 HydrophobicContact CD2-CD2 4.15Å; W235-L259 HydrophobicContact CE3-CB 4.27Å; W235-L259 HydrophobicContact CE3-CD2 3.89Å; W235-L259 HydrophobicContact CG-CB 4.42Å; W235-L259 HydrophobicContact CG-CD2 4.5Å; W235-L259 HydrophobicContact CH2-CB 4.35Å; W235-L259 HydrophobicContact CZ2-CB 4.09Å; W235-L259 HydrophobicContact CZ3-CB 4.45Å; W235-L259 HydrophobicContact CZ3-CD2 4.38Å; L242-L259 HydrophobicContact CD1-CD1 3.52Å; L242-L259 HydrophobicContact CD1-CD2 3.91Å; L242-L259 HydrophobicContact CD1-CG 4.36Å; L242-L259 HydrophobicContact CD2-CD2 4.49Å; L250-L259 HydrophobicContact CD2-CD1 3.95Å; L252-L259 HydrophobicContact CD2-CB 4.21Å; L252-L259 HydrophobicContact CD2-CD1 3.85Å; L259-Y272 HydrophobicContact CD2-CD1 3.34Å; L259-Y272 HydrophobicContact CD2-CE1 3.72Å; L259-Y272 HydrophobicContact CD2-CG 4.3Å
260F90.6Very high88.3Confident61 Ų6145.1 Ų45.127%0.26824%0.235SC..EExtended strand (participates in β ladder)trans-97.2133.8179.8-179.9-108.5000111.4S220 L250 S251 L253 A262S220-F260 WeakPolarHBondContact OG-CD2 3.07Å; L250-F260 WeakPolarHBondContact CA-O 3.31Å; S251-F260 PolarHBondContact N-O 3.09Å; S251-F260 PolarHBondContact O-N 3.44Å; L253-F260 HydrophobicContact CD1-CB 3.82Å; L253-F260 HydrophobicContact CD1-CG 4.29Å; L253-F260 HydrophobicContact CG-CB 4.24Å; F260-A262 HydrophobicContact CD1-CB 4.5Å; F260-A262 HydrophobicContact CE1-CB 3.8Å; F260-A262 HydrophobicContact CZ-CB 4.43Å
261I92.5Very high88.4Confident0 Ų045.5 Ų45.50%024%0.242CC..EExtended strand (participates in β ladder)trans-116.1109.5174.1-45.2-172.8000107.7S218 A219 Q249 L250 S263 V264 D268 L289S218-I261 CarbonylContact C-O 3.54Å; S218-I261 WeakPolarHBondContact CA-O 3.43Å; S218-I261 VanDerWaalsContact CB-O 3.3Å; S218-I261 WeakPolarHBondContact CB-O 3.42Å; A219-I261 HydrophobicContact CB-CB 4.21Å; A219-I261 HydrophobicContact CB-CD1 4.36Å; A219-I261 HydrophobicContact CB-CG1 4.38Å; A219-I261 PolarHBondContact N-O 3.47Å; A219-I261 PolarHBondContact O-N 2.8Å; Q249-I261 CarbonylContact O-C 3.57Å; Q249-I261 WeakPolarHBondContact O-CA 3.03Å; L250-I261 HydrophobicContact CD2-CD1 4.08Å; L250-I261 HydrophobicContact CD2-CG1 3.76Å; I261-S263 PolarHBondContact O-N 2.78Å; I261-V264 HydrophobicContact CB-CG2 4.23Å; I261-V264 HydrophobicContact CG2-CG2 4.01Å; I261-D268 HydrophobicContact CD1-CB 4.46Å; I261-L289 HydrophobicContact CD1-CD2 3.51Å
262A90.9Very high88.6Confident45 Ų4543.6 Ų43.637%0.37223%0.229SC..SBendtrans-66.5-37.9-172.400000113.7S218 Q249 F260S218-A262 WeakPolarHBondContact CB-O 3.09Å; Q249-A262 PolarHBondContact O-N 2.89Å; F260-A262 HydrophobicContact CD1-CB 4.5Å; F260-A262 HydrophobicContact CE1-CB 3.8Å; F260-A262 HydrophobicContact CZ-CB 4.43Å
263S92.4Very high88.9Confident39 Ų3941.1 Ų41.127%0.27322%0.216SC..SBendtrans-147.9105177.5-164.50000109.4G216 Q249 I261G216-S263 VanDerWaalsContact CA-OG 3.3Å; G216-S263 WeakPolarHBondContact CA-OG 3.19Å; G216-S263 PolarHBondContact O-OG 2.85Å; Q249-S263 VanDerWaalsContact OE1-CB 3.23Å; I261-S263 PolarHBondContact O-N 2.78Å
264V91.2Very high89.5Confident1 Ų137.8 Ų37.81%0.00620%0.199CC..  trans-67.2135.1-174.1173.50000110.9Q213 P215 G216 V217 A219 I261 D268 L289 V291Q213-V264 HydrophobicContact CB-CG1 4.37Å; Q213-V264 HydrophobicContact CB-CG2 4.35Å; P215-V264 CarbonylContact C-O 3.57Å; P215-V264 WeakPolarHBondContact CA-O 3.24Å; G216-V264 PolarHBondContact N-O 2.7Å; V217-V264 WeakPolarHBondContact O-CB 3.31Å; V217-V264 WeakPolarHBondContact O-CG2 3.46Å; V217-V264 PolarHBondContact O-N 3.26Å; A219-V264 HydrophobicContact CB-CG2 3.54Å; I261-V264 HydrophobicContact CB-CG2 4.23Å; I261-V264 HydrophobicContact CG2-CG2 4.01Å; V264-D268 HydrophobicContact CG1-CB 4.4Å; V264-L289 HydrophobicContact CG1-CD2 4.49Å; V264-V291 HydrophobicContact CG1-CB 4.1Å; V264-V291 HydrophobicContact CG1-CG1 3.76Å; V264-V291 HydrophobicContact CG1-CG2 3.21Å
265R91.6Very high90.3Very high118 Ų11838.5 Ų38.545%0.44520%0.201SC..  trans-121.2160.5176.7-62.3174.7-178.8-178.91.3110.4E267 D268 V291R265-E267 HydrophobicContact CB-CG 3.86Å; R265-E267 VanDerWaalsContact CD-OE1 3.24Å; R265-E267 WeakPolarHBondContact CD-OE1 3.48Å; R265-E267 IonicContact NH1-OE1 2.96Å; R265-E267 PolarHBondContact NH1-OE1 3.25Å; R265-E267 PolarHBondContact O-N 3.39Å; R265-E267 VanDerWaalsContact O-N 3.08Å; R265-D268 PolarHBondContact N-OD2 2.92Å; R265-D268 WeakPolarHBondContact O-CA 3.3Å; R265-D268 VanDerWaalsContact O-CB 3.27Å; R265-D268 WeakPolarHBondContact O-CB 3.23Å; R265-D268 PolarHBondContact O-N 3.43Å; R265-V291 WeakPolarHBondContact O-CG2 3.13Å
266Y89Confident91Very high137 Ų13733.2 Ų33.254%0.53717%0.173SC..G310 helixtrans-54.2-33.5177.3-69.7-70.6000113.7P215 D268 T269 V291P215-Y266 HydrophobicContact CB-CE2 4.4Å; P215-Y266 HydrophobicContact CG-CE1 3.92Å; P215-Y266 HydrophobicContact CG-CE2 3.83Å; P215-Y266 VanDerWaalsContact CG-CZ 3.49Å; Y266-D268 PolarHBondContact O-N 3Å; Y266-T269 WeakPolarHBondContact O-CB 3.48Å; Y266-T269 PolarHBondContact O-N 3.13Å; Y266-T269 PolarHBondContact O-OG1 2.84Å; Y266-V291 HydrophobicContact CD1-CB 4.32Å; Y266-V291 HydrophobicContact CD1-CG1 4.01Å; Y266-V291 HydrophobicContact CE1-CG1 4.34Å
267E89.2Confident91.5Very high128 Ų12838.5 Ų38.560%0.59820%0.195SC*.G310 helixtrans-68.3-16175.266.1-165.1-174.800114.3K237 R265 T269K237-E267 PolarHBondContact NZ-O 3.09Å; R265-E267 HydrophobicContact CB-CG 3.86Å; R265-E267 VanDerWaalsContact CD-OE1 3.24Å; R265-E267 WeakPolarHBondContact CD-OE1 3.48Å; R265-E267 IonicContact NH1-OE1 2.96Å; R265-E267 PolarHBondContact NH1-OE1 3.25Å; R265-E267 PolarHBondContact O-N 3.39Å; R265-E267 VanDerWaalsContact O-N 3.08Å; E267-T269 PolarHBondContact O-N 3.33Å
268D90.3Very high92Very high9 Ų938.7 Ų38.75%0.04820%0.195CC..G310 helixtrans-77-11.1175-62.7-40.5000113K237 I261 V264 R265 Y266 G270 Y272 L289K237-D268 IonicContact NZ-OD1 3.2Å; I261-D268 HydrophobicContact CD1-CB 4.46Å; V264-D268 HydrophobicContact CG1-CB 4.4Å; R265-D268 PolarHBondContact N-OD2 2.92Å; R265-D268 WeakPolarHBondContact O-CA 3.3Å; R265-D268 VanDerWaalsContact O-CB 3.27Å; R265-D268 WeakPolarHBondContact O-CB 3.23Å; R265-D268 PolarHBondContact O-N 3.43Å; Y266-D268 PolarHBondContact O-N 3Å; D268-G270 PolarHBondContact O-N 2.89Å; D268-Y272 VanDerWaalsContact O-CE2 3.32Å; D268-Y272 WeakPolarHBondContact O-CE2 3.39Å; D268-Y272 PolarHBondContact O-OH 2.9Å; D268-L289 HydrophobicContact CB-CD2 4.23Å
269T91.2Very high92.3Very high57 Ų5745 Ų4535%0.3522%0.224SC..  trans-58.2129.4170.7-54.90000110.4Y266 E267 L289 V291Y266-T269 WeakPolarHBondContact O-CB 3.48Å; Y266-T269 PolarHBondContact O-N 3.13Å; Y266-T269 PolarHBondContact O-OG1 2.84Å; E267-T269 PolarHBondContact O-N 3.33Å; T269-L289 VanDerWaalsContact CA-O 3.28Å; T269-L289 WeakPolarHBondContact CA-O 3.38Å; T269-L289 WeakPolarHBondContact CG2-O 3.44Å; T269-V291 WeakPolarHBondContact OG1-CG2 3.05Å; T269-V291 PolarHBondContact OG1-N 3.21Å
270G91.3Very high92.5Very high12 Ų1247.2 Ų47.212%0.12424%0.238CC..EExtended strand (participates in β ladder)trans164.2176.1178.800000113.7N238 D268 Y272 S288 L289N238-G270 WeakPolarHBondContact OD1-CA 3.35Å; D268-G270 PolarHBondContact O-N 2.89Å; G270-Y272 WeakPolarHBondContact O-CD2 3.38Å; G270-S288 WeakPolarHBondContact O-CA 3.24Å; G270-L289 PolarHBondContact N-O 2.91Å; G270-L289 VanDerWaalsContact N-O 3.17Å; G270-L289 PolarHBondContact O-N 3.37Å
271A92Very high92.7Very high31 Ų3145.3 Ų45.326%0.25624%0.236SC..EExtended strand (participates in β ladder)trans-85.5127.117200000109.6K237 N238 I286 S287K237-A271 CarbonylContact C-O 3.55Å; K237-A271 WeakPolarHBondContact CA-O 3.4Å; N238-A271 PolarHBondContact N-O 3.4Å; N238-A271 PolarHBondContact OD1-N 3.1Å; A271-I286 HydrophobicContact CB-CG2 3.98Å; A271-S287 CarbonylContact C-O 3.58Å; A271-S287 VanDerWaalsContact CA-O 3.29Å; A271-S287 WeakPolarHBondContact CA-O 3.48Å
272Y94.3Very high92.9Very high0 Ų049.2 Ų49.20%026%0.259CS..EExtended strand (participates in β ladder)trans-110.9120176.1-69.4-96000108.7L221 L236 K237 L242 L259 D268 G270 I286 S287 L289L221-Y272 HydrophobicContact CD1-CD1 4.05Å; L221-Y272 HydrophobicContact CD1-CD2 3.78Å; L221-Y272 HydrophobicContact CD1-CG 3.51Å; L236-Y272 CarbonylContact O-C 3.54Å; L236-Y272 VanDerWaalsContact O-CA 3.28Å; L236-Y272 WeakPolarHBondContact O-CA 3.17Å; K237-Y272 HydrophobicContact CB-CD1 4.19Å; K237-Y272 HydrophobicContact CB-CE1 4.02Å; K237-Y272 HydrophobicContact CD-CE1 3.89Å; K237-Y272 WeakPolarHBondContact CE-OH 3.47Å; K237-Y272 HydrophobicContact CG-CD1 4.36Å; K237-Y272 HydrophobicContact CG-CE1 3.91Å; K237-Y272 HydrophobicContact CG-CE2 4.47Å; L242-Y272 HydrophobicContact CD2-CD1 4.46Å; L242-Y272 HydrophobicContact CD2-CE1 4.27Å; L259-Y272 HydrophobicContact CD2-CD1 3.34Å; L259-Y272 HydrophobicContact CD2-CE1 3.72Å; L259-Y272 HydrophobicContact CD2-CG 4.3Å; D268-Y272 VanDerWaalsContact O-CE2 3.32Å; D268-Y272 WeakPolarHBondContact O-CE2 3.39Å; D268-Y272 PolarHBondContact O-OH 2.9Å; G270-Y272 WeakPolarHBondContact O-CD2 3.38Å; Y272-I286 WeakPolarHBondContact O-CA 3.3Å; Y272-S287 PolarHBondContact N-O 2.79Å; Y272-S287 PolarHBondContact O-N 2.99Å; Y272-L289 HydrophobicContact CD2-CB 4.09Å; Y272-L289 HydrophobicContact CE2-CB 3.75Å; Y272-L289 HydrophobicContact CE2-CD2 4.23Å
273T95.5Very high93.1Very high11 Ų1149.5 Ų49.57%0.06725%0.254CS..EExtended strand (participates in β ladder)trans-104.1126.2180-52.80000108.9W235 L236 I275 E284 D285 I286W235-T273 CarbonylContact C-O 3.56Å; W235-T273 VanDerWaalsContact CA-O 3.29Å; W235-T273 WeakPolarHBondContact CA-O 3.45Å; L236-T273 PolarHBondContact N-O 3.47Å; L236-T273 PolarHBondContact O-N 2.92Å; T273-I275 HydrophobicContact CG2-CD1 4.45Å; T273-I275 HydrophobicContact CG2-CG1 3.91Å; T273-E284 HydrophobicContact CG2-CB 4.32Å; T273-D285 CarbonylContact C-O 3.55Å; T273-D285 VanDerWaalsContact CA-O 3.28Å; T273-D285 WeakPolarHBondContact CA-O 3.25Å; T273-I286 HydrophobicContact CG2-CD1 4.45Å; T273-I286 HydrophobicContact CG2-CG1 3.85Å; T273-I286 WeakPolarHBondContact OG1-CG1 3.47Å
274C94.5Very high93.3Very high0 Ų053.1 Ų53.10%027%0.267CS..EExtended strand (participates in β ladder)trans-94.8133.9165.4-179.60000109.5C223 L234 W235 E284 D285C223-C274 HydrophobicContact CB-CB 3.5Å; C223-C274 VanDerWaalsContact CB-CB 3.5Å; C223-C274 WeakPolarHBondContact CB-SG 3.34Å; C223-C274 WeakPolarHBondContact SG-CB 3.44Å; C223-C274 CovalentContact SG-SG 2.01Å; C223-C274 PolarHBondContact SG-SG 2.97Å; L234-C274 CarbonylContact O-C 3.54Å; L234-C274 WeakPolarHBondContact O-CA 3.39Å; W235-C274 HydrophobicContact CD2-CB 4.24Å; W235-C274 HydrophobicContact CE3-CB 4.21Å; W235-C274 HydrophobicContact CH2-CB 4.11Å; W235-C274 HydrophobicContact CZ2-CB 4.11Å; W235-C274 HydrophobicContact CZ3-CB 4.14Å; C274-E284 CarbonylContact O-C 3.55Å; C274-E284 VanDerWaalsContact O-CA 3.22Å; C274-E284 WeakPolarHBondContact O-CA 3.37Å; C274-E284 WeakPolarHBondContact O-CB 3.37Å; C274-D285 PolarHBondContact N-O 2.79Å; C274-D285 PolarHBondContact O-N 2.83Å
275I95.3Very high93.3Very high24 Ų2455.4 Ų55.412%0.12328%0.279CS..EExtended strand (participates in β ladder)trans-122.9119.8177.8-56176.7000108.2L233 L234 L236 T273 V282 D283 E284L233-I275 CarbonylContact C-O 3.56Å; L233-I275 WeakPolarHBondContact CA-O 3.04Å; L234-I275 HydrophobicContact CB-CB 4.21Å; L234-I275 PolarHBondContact N-O 3.12Å; L234-I275 PolarHBondContact O-N 3.42Å; L236-I275 HydrophobicContact CD1-CD1 3.57Å; L236-I275 HydrophobicContact CG-CD1 3.95Å; T273-I275 HydrophobicContact CG2-CD1 4.45Å; T273-I275 HydrophobicContact CG2-CG1 3.91Å; I275-V282 HydrophobicContact CG2-CG1 3.52Å; I275-D283 CarbonylContact C-O 3.56Å; I275-D283 WeakPolarHBondContact CA-O 3.34Å; I275-E284 HydrophobicContact CB-CB 4.42Å; I275-E284 HydrophobicContact CG1-CB 3.92Å
276A94.9Very high93.2Very high0 Ų054.2 Ų54.20%028%0.281CS..EExtended strand (participates in β ladder)trans-97.8127.7172.500000110.5P202 I204 A225 P231 L233 V282 D283P202-A276 HydrophobicContact CB-CB 3.94Å; I204-A276 HydrophobicContact CD1-CB 4.25Å; I204-A276 HydrophobicContact CG1-CB 3.74Å; A225-A276 HydrophobicContact CB-CB 3.3Å; P231-A276 HydrophobicContact CB-CB 4.34Å; L233-A276 HydrophobicContact CD2-CB 3.64Å; A276-V282 CarbonylContact O-C 3.6Å; A276-V282 VanDerWaalsContact O-CA 3.24Å; A276-V282 WeakPolarHBondContact O-CA 3.28Å; A276-D283 PolarHBondContact N-O 3.49Å; A276-D283 PolarHBondContact O-N 3.37Å
277K94.9Very high93.1Very high113 Ų11347.8 Ų47.849%0.49126%0.256SS..EExtended strand (participates in β ladder)trans-138.6130.9-175.8178.4169.2-176.6177.50112.7P231 K232 V282P231-K277 WeakPolarHBondContact CA-O 3.35Å; K232-K277 PolarHBondContact N-O 2.5Å; K232-K277 PolarHBondContact O-N 3.25Å; K277-V282 HydrophobicContact CB-CG2 4.12Å; K277-V282 HydrophobicContact CD-CG2 3.93Å; K277-V282 HydrophobicContact CG-CG2 3.81Å
278N94.1Very high93Very high17 Ų1743.6 Ų43.69%0.09124%0.24CC..  trans-125.3-169.716474.49.7000110.4V200 P202 P229 P231 V280 G281V200-N278 PolarHBondContact O-ND2 2.96Å; P202-N278 VanDerWaalsContact CD-OD1 3.26Å; P202-N278 WeakPolarHBondContact CD-OD1 3.31Å; P202-N278 HydrophobicContact CG-CB 4Å; P202-N278 VanDerWaalsContact CG-N 3.34Å; P229-N278 WeakPolarHBondContact O-CB 2.78Å; P229-N278 PolarHBondContact O-ND2 2.88Å; P231-N278 HydrophobicContact CB-CB 4.41Å; N278-V280 PolarHBondContact O-N 2.84Å; N278-V280 WeakPolarHBondContact OD1-CA 3.44Å; N278-V280 PolarHBondContact OD1-N 3.32Å; N278-G281 PolarHBondContact N-O 3.39Å; N278-G281 VanDerWaalsContact N-O 3.11Å; N278-G281 PolarHBondContact OD1-N 3.25Å
279E92.9Very high92.9Very high142 Ų14243.1 Ų43.166%0.66424%0.238SC*.SBendtrans-70.9-13.4-179.261.3-178.7-165.900114.3N199 P229N199-E279 PolarHBondContact ND2-OE1 2.89Å; P229-E279 WeakPolarHBondContact CD-OE1 3.38Å; P229-E279 HydrophobicContact CG-CG 4.14Å; P229-E279 WeakPolarHBondContact CG-OE1 3.43Å
280V94.1Very high92.7Very high47 Ų4745 Ų4529%0.28524%0.242SC..SBendtrans-104.6-28.1-175.31790000112.6T122 N199 P201 N278T122-V280 HydrophobicContact CG2-CG1 3.64Å; N199-V280 HydrophobicContact CB-CG2 3.45Å; N199-V280 VanDerWaalsContact CB-CG2 3.45Å; N199-V280 VanDerWaalsContact ND2-CG2 3.34Å; N199-V280 WeakPolarHBondContact ND2-CG2 3.18Å; P201-V280 HydrophobicContact CB-CG1 4.24Å; N278-V280 PolarHBondContact O-N 2.84Å; N278-V280 WeakPolarHBondContact OD1-CA 3.44Å; N278-V280 PolarHBondContact OD1-N 3.32Å
281G95Very high92.5Very high21 Ų2145 Ų4522%0.21624%0.239CC..  trans-167.4-174.3-177.300000115P202 N278P202-G281 VanDerWaalsContact CD-C 3.43Å; P202-G281 WeakPolarHBondContact CD-O 3.3Å; P202-G281 WeakPolarHBondContact CG-O 3.29Å; N278-G281 PolarHBondContact N-O 3.39Å; N278-G281 VanDerWaalsContact N-O 3.11Å; N278-G281 PolarHBondContact OD1-N 3.25Å
282V96.2Very high92Very high82 Ų8246.9 Ų46.950%0.49724%0.243SC..EExtended strand (participates in β ladder)trans-139.7141.7177.2179.70000108.2I275 A276 K277I275-V282 HydrophobicContact CG2-CG1 3.52Å; A276-V282 CarbonylContact O-C 3.6Å; A276-V282 VanDerWaalsContact O-CA 3.24Å; A276-V282 WeakPolarHBondContact O-CA 3.28Å; K277-V282 HydrophobicContact CB-CG2 4.12Å; K277-V282 HydrophobicContact CD-CG2 3.93Å; K277-V282 HydrophobicContact CG-CG2 3.81Å
283D95.7Very high90.8Very high50 Ų5051.5 Ų51.527%0.26727%0.267SS..EExtended strand (participates in β ladder)trans-132149.2167.2-167.822.9000109P202 V203 I204 I275 A276P202-D283 HydrophobicContact CB-CB 4.48Å; P202-D283 WeakPolarHBondContact O-CB 2.86Å; V203-D283 WeakPolarHBondContact CA-OD2 3.25Å; I204-D283 HydrophobicContact CG1-CB 4.23Å; I204-D283 PolarHBondContact N-OD2 2.78Å; I275-D283 CarbonylContact C-O 3.56Å; I275-D283 WeakPolarHBondContact CA-O 3.34Å; A276-D283 PolarHBondContact N-O 3.49Å; A276-D283 PolarHBondContact O-N 3.37Å
284E95.3Very high89Confident115 Ų11553.8 Ų53.854%0.53728%0.283SS..EExtended strand (participates in β ladder)trans-146.8147.6-177.468.4179.4-164.500112.7T273 C274 I275T273-E284 HydrophobicContact CG2-CB 4.32Å; C274-E284 CarbonylContact O-C 3.55Å; C274-E284 VanDerWaalsContact O-CA 3.22Å; C274-E284 WeakPolarHBondContact O-CA 3.37Å; C274-E284 WeakPolarHBondContact O-CB 3.37Å; I275-E284 HydrophobicContact CB-CB 4.42Å; I275-E284 HydrophobicContact CG1-CB 3.92Å
285D92.5Very high87.1Confident50 Ų5057.7 Ų57.727%0.26732%0.316SS..EExtended strand (participates in β ladder)trans-145.8157.6174.1-172.145.9000112.5I204 Y207 T273 C274I204-D285 HydrophobicContact CD1-CB 4.23Å; Y207-D285 VanDerWaalsContact CB-OD2 3.23Å; Y207-D285 WeakPolarHBondContact CB-OD2 3.3Å; Y207-D285 HydrophobicContact CD1-CB 3.59Å; Y207-D285 VanDerWaalsContact CD1-CG 3.42Å; Y207-D285 WeakPolarHBondContact CD1-OD2 3.49Å; Y207-D285 HydrophobicContact CE1-CB 4.14Å; T273-D285 CarbonylContact C-O 3.55Å; T273-D285 VanDerWaalsContact CA-O 3.28Å; T273-D285 WeakPolarHBondContact CA-O 3.25Å; C274-D285 PolarHBondContact N-O 2.79Å; C274-D285 PolarHBondContact O-N 2.83Å
286I89.9Confident85.1Confident93 Ų9362.8 Ų62.848%0.47734%0.337SS..EExtended strand (participates in β ladder)trans-130.4132.5-167.4-49.8-177.1000111.8A271 Y272 T273A271-I286 HydrophobicContact CB-CG2 3.98Å; Y272-I286 WeakPolarHBondContact O-CA 3.3Å; T273-I286 HydrophobicContact CG2-CD1 4.45Å; T273-I286 HydrophobicContact CG2-CG1 3.85Å; T273-I286 WeakPolarHBondContact OG1-CG1 3.47Å
287S86.6Confident82.8Confident2 Ų265.8 Ų65.81%0.01435%0.35CS..EExtended strand (participates in β ladder)trans-125.3163.7171.9-176.20000112.8P208 E209 T210 A271 Y272P208-S287 WeakPolarHBondContact O-CB 3.33Å; P208-S287 PolarHBondContact O-OG 2.9Å; E209-S287 PolarHBondContact O-OG 2.81Å; T210-S287 WeakPolarHBondContact CA-OG 3.39Å; T210-S287 PolarHBondContact N-OG 3.27Å; T210-S287 VanDerWaalsContact N-OG 3.1Å; T210-S287 PolarHBondContact OG1-OG 3.29Å; A271-S287 CarbonylContact C-O 3.58Å; A271-S287 VanDerWaalsContact CA-O 3.29Å; A271-S287 WeakPolarHBondContact CA-O 3.48Å; Y272-S287 PolarHBondContact N-O 2.79Å; Y272-S287 PolarHBondContact O-N 2.99Å
288S86.6Confident80.8Confident39 Ų3964.5 Ų64.527%0.27335%0.352SS..EExtended strand (participates in β ladder)trans-112.6136.5174.2-62.10000112.3T210 Q211 G270T210-S288 VanDerWaalsContact CA-O 3.31Å; T210-S288 WeakPolarHBondContact CA-O 3.3Å; T210-S288 WeakPolarHBondContact CG2-O 3.08Å; T210-S288 PolarHBondContact OG1-N 2.7Å; Q211-S288 PolarHBondContact N-O 2.82Å; G270-S288 WeakPolarHBondContact O-CA 3.24Å
289L88.1Confident78.7Confident0 Ų069.2 Ų69.20%038%0.376CS..EExtended strand (participates in β ladder)trans-104.5125.7164.5179.365.5000109Q211 Q213 A219 I261 V264 D268 T269 G270 Y272 V291Q211-L289 HydrophobicContact CB-CD1 3.88Å; Q211-L289 WeakPolarHBondContact O-CA 3.24Å; Q213-L289 HydrophobicContact CB-CD1 4.42Å; Q213-L289 HydrophobicContact CG-CD1 4.05Å; A219-L289 HydrophobicContact CB-CD1 4.18Å; A219-L289 HydrophobicContact CB-CD2 4.34Å; I261-L289 HydrophobicContact CD1-CD2 3.51Å; V264-L289 HydrophobicContact CG1-CD2 4.49Å; D268-L289 HydrophobicContact CB-CD2 4.23Å; T269-L289 VanDerWaalsContact CA-O 3.28Å; T269-L289 WeakPolarHBondContact CA-O 3.38Å; T269-L289 WeakPolarHBondContact CG2-O 3.44Å; G270-L289 PolarHBondContact N-O 2.91Å; G270-L289 VanDerWaalsContact N-O 3.17Å; G270-L289 PolarHBondContact O-N 3.37Å; Y272-L289 HydrophobicContact CD2-CB 4.09Å; Y272-L289 HydrophobicContact CE2-CB 3.75Å; Y272-L289 HydrophobicContact CE2-CD2 4.23Å; L289-V291 HydrophobicContact CG-CG2 4.47Å
290F86.5Confident76.5Confident97 Ų9763.8 Ų63.843%0.42536%0.356SS..EExtended strand (participates in β ladder)trans-108.6133.6173.9-60.6-79.4000110.4T210 Q211 A212 Q213T210-F290 HydrophobicContact CG2-CD2 4.04Å; T210-F290 HydrophobicContact CG2-CE2 3.65Å; Q211-F290 PolarHBondContact O-N 2.75Å; A212-F290 CarbonylContact C-O 3.58Å; A212-F290 WeakPolarHBondContact CA-O 3.22Å; A212-F290 HydrophobicContact CB-CB 4.35Å; Q213-F290 PolarHBondContact N-O 2.65Å
291V87.3Confident74.2Confident11 Ų1166.3 Ų66.37%0.06737%0.368CS..EExtended strand (participates in β ladder)trans-113106.6176.8-171.70000109.3Q213 P215 V264 R265 Y266 T269 L289Q213-V291 WeakPolarHBondContact O-CA 3.12Å; P215-V291 HydrophobicContact CB-CG1 4.44Å; P215-V291 HydrophobicContact CG-CG1 3.89Å; V264-V291 HydrophobicContact CG1-CB 4.1Å; V264-V291 HydrophobicContact CG1-CG1 3.76Å; V264-V291 HydrophobicContact CG1-CG2 3.21Å; R265-V291 WeakPolarHBondContact O-CG2 3.13Å; Y266-V291 HydrophobicContact CD1-CB 4.32Å; Y266-V291 HydrophobicContact CD1-CG1 4.01Å; Y266-V291 HydrophobicContact CE1-CG1 4.34Å; T269-V291 WeakPolarHBondContact OG1-CG2 3.05Å; T269-V291 PolarHBondContact OG1-N 3.21Å; L289-V291 HydrophobicContact CG-CG2 4.47Å
292E80.9Confident71.8Confident71 Ų7170 Ų7033%0.33238%0.381SS..  trans-130150.8-175.4-63.1-156.3140.200112.3Q213 K296Q213-E292 PolarHBondContact O-N 3.35Å; Q213-E292 VanDerWaalsContact O-N 3.13Å; E292-K296 IonicContact OE1-NZ 3.98Å; E292-K296 WeakPolarHBondContact OE2-CB 3.42Å
293D69.1Low69.2Low96 Ų9670.9 Ų70.951%0.51338%0.383SS..  trans-80.7146.3176.4-150-14000111.2A295 K296D293-A295 PolarHBondContact O-N 2.9Å; D293-K296 PolarHBondContact O-N 3.34Å
294S57.9Low66.7Low59 Ų5977 Ų7741%0.41340%0.403SS..Hα-helixtrans-48.4-28.4-167.858.70000115.7E214 K296 K297 T298E214-S294 VanDerWaalsContact OE1-CB 3.26Å; E214-S294 WeakPolarHBondContact OE1-CB 3.42Å; S294-K296 VanDerWaalsContact C-N 3.31Å; S294-K296 PolarHBondContact O-N 2.92Å; S294-K297 PolarHBondContact O-N 2.83Å; S294-T298 PolarHBondContact O-OG1 3.47Å
295A55Low64.2Low82 Ų8281.7 Ų81.768%0.67842%0.415SS*.Hα-helixtrans-66.7-23.4-179.700000114.7D293D293-A295 PolarHBondContact O-N 2.9Å
296K54.4Low61.6Low131 Ų13187.1 Ų87.157%0.5744%0.439SS*.Hα-helixtrans-90.6-30.1175.2-75.8-177.9174.6-176.80113.1E292 D293 S294 T298 L299 A300E292-K296 IonicContact OE1-NZ 3.98Å; E292-K296 WeakPolarHBondContact OE2-CB 3.42Å; D293-K296 PolarHBondContact O-N 3.34Å; S294-K296 VanDerWaalsContact C-N 3.31Å; S294-K296 PolarHBondContact O-N 2.92Å; K296-T298 VanDerWaalsContact C-N 3.29Å; K296-T298 PolarHBondContact O-N 2.86Å; K296-L299 WeakPolarHBondContact O-CB 3.49Å; K296-L299 PolarHBondContact O-N 3.27Å; K296-A300 PolarHBondContact O-N 2.97Å
297K46.6Very low59.2Low63 Ų6389.9 Ų89.927%0.27445%0.45SS..Hα-helixtrans-61.7-35.9178.6-147.6173.5-168.2171.60112A212 S294 N301A212-K297 WeakPolarHBondContact O-CE 3.4Å; A212-K297 PolarHBondContact O-NZ 2.59Å; S294-K297 PolarHBondContact O-N 2.83Å; K297-N301 VanDerWaalsContact O-CB 3.32Å; K297-N301 WeakPolarHBondContact O-CB 3.26Å; K297-N301 PolarHBondContact O-N 2.76Å
298T52.5Low57Low86 Ų8692.9 Ų92.953%0.52848%0.481SS..Hα-helixtrans-65.3-38.2172.5-46.80000112.3S294 K296 I302S294-T298 PolarHBondContact O-OG1 3.47Å; K296-T298 VanDerWaalsContact C-N 3.29Å; K296-T298 PolarHBondContact O-N 2.86Å; T298-I302 HydrophobicContact CG2-CD1 3.94Å; T298-I302 WeakPolarHBondContact O-CB 3.44Å; T298-I302 VanDerWaalsContact O-CD1 3.27Å; T298-I302 WeakPolarHBondContact O-CD1 3.44Å; T298-I302 WeakPolarHBondContact O-CG1 3.24Å; T298-I302 PolarHBondContact O-N 3.46Å; T298-I302 VanDerWaalsContact O-N 3.1Å
299L48.9Very low55Low116 Ų11697.2 Ų97.261%0.60750%0.5SS*.Hα-helixtrans-72.1-40.6179.3-138.4100.5000111.4K296 I302 L303K296-L299 WeakPolarHBondContact O-CB 3.49Å; K296-L299 PolarHBondContact O-N 3.27Å; L299-I302 PolarHBondContact O-N 3.16Å; L299-L303 HydrophobicContact CD2-CD1 4.19Å; L299-L303 WeakPolarHBondContact O-CB 3.34Å; L299-L303 WeakPolarHBondContact O-CD1 3.49Å; L299-L303 VanDerWaalsContact O-CG 3.28Å; L299-L303 WeakPolarHBondContact O-CG 3.46Å; L299-L303 PolarHBondContact O-N 2.76Å
300A46.3Very low53Low29 Ų29102 Ų10224%0.2453%0.534CS..Hα-helixtrans-61.5-53.4172.500000110.5K296 I302 L303 W304K296-A300 PolarHBondContact O-N 2.97Å; A300-I302 PolarHBondContact O-N 3.46Å; A300-I302 VanDerWaalsContact O-N 3.11Å; A300-L303 CarbonylContact O-C 3.47Å; A300-L303 PolarHBondContact O-N 2.67Å; A300-W304 VanDerWaalsContact C-CD1 3.42Å; A300-W304 PolarHBondContact O-N 3.15Å
301N45.9Very low51.4Low99 Ų99100.2 Ų100.253%0.52953%0.531SS..Hα-helixtrans-60.3-25.4179.6-71.5-7.5000113.7K297 R305K297-N301 VanDerWaalsContact O-CB 3.32Å; K297-N301 WeakPolarHBondContact O-CB 3.26Å; K297-N301 PolarHBondContact O-N 2.76Å; N301-R305 WeakPolarHBondContact O-CB 3.24Å; N301-R305 PolarHBondContact O-N 3.22Å
302I46.5Very low50.3Low98 Ų98100.4 Ų100.450%0.50354%0.536SS..Hα-helixtrans-76.5-40.8172.4-71.1166.6000111T298 L299 A300 R305T298-I302 HydrophobicContact CG2-CD1 3.94Å; T298-I302 WeakPolarHBondContact O-CB 3.44Å; T298-I302 VanDerWaalsContact O-CD1 3.27Å; T298-I302 WeakPolarHBondContact O-CD1 3.44Å; T298-I302 WeakPolarHBondContact O-CG1 3.24Å; T298-I302 PolarHBondContact O-N 3.46Å; T298-I302 VanDerWaalsContact O-N 3.1Å; L299-I302 PolarHBondContact O-N 3.16Å; A300-I302 PolarHBondContact O-N 3.46Å; A300-I302 VanDerWaalsContact O-N 3.11Å; I302-R305 WeakPolarHBondContact O-CB 3.38Å; I302-R305 PolarHBondContact O-N 2.92Å
303L40.6Very low50.2Low101 Ų10199.8 Ų99.853%0.52953%0.534SS..Hα-helixtrans-73.2-40.3178.7-71.5162.5000112.6L299 A300 R305 E306L299-L303 HydrophobicContact CD2-CD1 4.19Å; L299-L303 WeakPolarHBondContact O-CB 3.34Å; L299-L303 WeakPolarHBondContact O-CD1 3.49Å; L299-L303 VanDerWaalsContact O-CG 3.28Å; L299-L303 WeakPolarHBondContact O-CG 3.46Å; L299-L303 PolarHBondContact O-N 2.76Å; A300-L303 CarbonylContact O-C 3.47Å; A300-L303 PolarHBondContact O-N 2.67Å; L303-R305 PolarHBondContact O-N 2.9Å; L303-E306 PolarHBondContact O-N 2.94Å; L303-E306 VanDerWaalsContact O-N 3.15Å
304W43.4Very low51.2Low180 Ų18096 Ų9668%0.68251%0.514SS*.THydrogen-bonded Turntrans-68.1-15.7173.3-67.5106.5000113.2A300 E306A300-W304 VanDerWaalsContact C-CD1 3.42Å; A300-W304 PolarHBondContact O-N 3.15Å; W304-E306 VanDerWaalsContact C-N 3.34Å
305R42.9Very low52.9Low212 Ų21293.1 Ų93.180%0.849%0.494SS*.THydrogen-bonded Turntrans-76.8-20.8172.7-116.1178.5177-179.60.7113.1N301 I302 L303N301-R305 WeakPolarHBondContact O-CB 3.24Å; N301-R305 PolarHBondContact O-N 3.22Å; I302-R305 WeakPolarHBondContact O-CB 3.38Å; I302-R305 PolarHBondContact O-N 2.92Å; L303-R305 PolarHBondContact O-N 2.9Å
306E38.5Very low54.8Low164 Ų16489.3 Ų89.377%0.76646%0.462SS*.THydrogen-bonded Turntrans-92.2-24.1179.7-69.7-170.6157.700112.7L303 W304 G308L303-E306 PolarHBondContact O-N 2.94Å; L303-E306 VanDerWaalsContact O-N 3.15Å; W304-E306 VanDerWaalsContact C-N 3.34Å; E306-G308 PolarHBondContact O-N 2.71Å
307E39Very low56.8Low152 Ų15283.1 Ų83.171%0.7144%0.435SS*.SBendtrans-97.670.7171.8-68.7-174.316900110.8
308G40.4Very low59.1Low65 Ų6580.1 Ų80.167%0.6742%0.422SS*.  trans43.993.8161.900000116.4E306 S310E306-G308 PolarHBondContact O-N 2.71Å; G308-S310 PolarHBondContact O-N 3.32Å
309L44.4Very low61.1Low129 Ų12976.1 Ų76.168%0.67540%0.398SS*.  trans-3.5112.3159.2-80.9145.9000113.1V311L309-V311 VanDerWaalsContact C-N 3.34Å; L309-V311 WeakPolarHBondContact O-CG2 3.37Å; L309-V311 PolarHBondContact O-N 3.27Å
310S46.8Very low63Low102 Ų10271.3 Ų71.371%0.71337%0.372SS*.  trans-43.3104.7159158.20000108.1G308 G312G308-S310 PolarHBondContact O-N 3.32Å; S310-G312 PolarHBondContact O-N 2.89Å
311V52.8Low65.1Low58 Ų5874.2 Ų74.235%0.35238%0.381SS..  trans-75.7-7.1-179.4-169.80000110L309 I390L309-V311 VanDerWaalsContact C-N 3.34Å; L309-V311 WeakPolarHBondContact O-CG2 3.37Å; L309-V311 PolarHBondContact O-N 3.27Å; V311-I390 HydrophobicContact CG1-CG2 3.47Å; V311-I390 VanDerWaalsContact CG1-CG2 3.47Å
312G63.8Low67.3Low16 Ų1669.5 Ų69.517%0.16536%0.356CS..  trans-73130.5179.800000112.6S310S310-G312 PolarHBondContact O-N 2.89Å
313N79.4Confident69.7Low57 Ų5764.9 Ų64.931%0.30533%0.332SS..SBendtrans86.861.5159.2-56.1-14.7000116.1W699 V700 G701 E702N313-W699 VanDerWaalsContact C-CZ3 3.46Å; N313-W699 HydrophobicContact CB-CH2 3.44Å; N313-W699 VanDerWaalsContact CB-CH2 3.44Å; N313-W699 HydrophobicContact CB-CZ2 3.52Å; N313-W699 WeakPolarHBondContact O-CH2 3.4Å; N313-V700 CarbonylContact C-O 3.57Å; N313-V700 WeakPolarHBondContact CA-O 3.44Å; N313-V700 PolarHBondContact N-O 3.07Å; N313-V700 VanDerWaalsContact N-O 3.15Å; N313-G701 WeakPolarHBondContact OD1-CA 3.44Å; N313-E702 PolarHBondContact OD1-N 3.04Å
314M89.1Confident72.3Confident16 Ų1660.1 Ų60.18%0.07931%0.308CS..EExtended strand (participates in β ladder)trans-129.7146.6-179.2-61.5-65.3-69.900112.7Y316 V325 L326 Q327 R334 W699 V700M314-Y316 HydrophobicContact CB-CE2 4.33Å; M314-V325 HydrophobicContact CB-CG1 4.05Å; M314-V325 HydrophobicContact CE-CG1 3.68Å; M314-V325 HydrophobicContact CG-CG1 4.4Å; M314-L326 WeakPolarHBondContact CE-O 3.39Å; M314-Q327 HydrophobicContact CE-CB 3.77Å; M314-Q327 VanDerWaalsContact SD-CA 3.51Å; M314-Q327 HydrophobicContact SD-CB 3.58Å; M314-Q327 VanDerWaalsContact SD-CB 3.58Å; M314-Q327 HydrophobicContact SD-CG 3.94Å; M314-R334 HydrophobicContact CE-CB 3.68Å; M314-R334 HydrophobicContact CE-CG 3.35Å; M314-R334 HydrophobicContact SD-CG 4.39Å; M314-W699 VanDerWaalsContact O-CE3 3.29Å; M314-V700 PolarHBondContact N-O 3Å; M314-V700 PolarHBondContact O-N 3.4Å
315F93.7Very high74.7Confident0 Ų051.6 Ų51.60%028%0.275CS..EExtended strand (participates in β ladder)trans-91.7128.9167.1-72.9-79000110.8V317 V325 L326 P328 V657 V667 V697 W699F315-V317 HydrophobicContact CB-CG2 4.31Å; F315-V325 WeakPolarHBondContact O-CA 3.45Å; F315-L326 HydrophobicContact CB-CB 4.37Å; F315-L326 PolarHBondContact N-O 3.21Å; F315-L326 PolarHBondContact O-N 2.82Å; F315-P328 HydrophobicContact CD2-CB 3.92Å; F315-P328 HydrophobicContact CD2-CG 4.08Å; F315-P328 HydrophobicContact CE2-CB 3.78Å; F315-P328 HydrophobicContact CE2-CG 3.98Å; F315-V657 HydrophobicContact CE1-CB 4.28Å; F315-V657 HydrophobicContact CE1-CG1 4.01Å; F315-V667 HydrophobicContact CD1-CB 4.08Å; F315-V667 HydrophobicContact CD1-CG2 3.88Å; F315-V667 HydrophobicContact CD2-CG2 3.48Å; F315-V667 VanDerWaalsContact CD2-CG2 3.48Å; F315-V667 HydrophobicContact CE1-CB 3.96Å; F315-V667 HydrophobicContact CE1-CG2 3.81Å; F315-V667 HydrophobicContact CE2-CB 4.42Å; F315-V667 HydrophobicContact CE2-CG2 3.4Å; F315-V667 VanDerWaalsContact CE2-CG2 3.4Å; F315-V667 HydrophobicContact CG-CB 4.35Å; F315-V667 HydrophobicContact CG-CG2 3.71Å; F315-V667 HydrophobicContact CZ-CB 4.12Å; F315-V667 HydrophobicContact CZ-CG2 3.56Å; F315-V697 HydrophobicContact CD1-CG1 3.8Å; F315-W699 HydrophobicContact CD1-CB 4.38Å; F315-W699 AromaticContact CD1-CE3 3.8Å; F315-W699 HydrophobicContact CD1-CE3 3.8Å; F315-W699 AromaticContact CD2-CE3 3.77Å; F315-W699 HydrophobicContact CD2-CE3 3.77Å; F315-W699 AromaticContact CD2-CZ3 3.69Å; F315-W699 HydrophobicContact CD2-CZ3 3.69Å; F315-W699 HydrophobicContact CE1-CB 4.16Å; F315-W699 HydrophobicContact CE1-CD2 4.43Å; F315-W699 AromaticContact CE1-CE3 3.71Å; F315-W699 HydrophobicContact CE1-CE3 3.71Å; F315-W699 HydrophobicContact CE1-CZ3 4.45Å; F315-W699 AromaticContact CE2-CE3 3.68Å; F315-W699 HydrophobicContact CE2-CE3 3.68Å; F315-W699 AromaticContact CE2-CZ3 3.57Å; F315-W699 HydrophobicContact CE2-CZ3 3.57Å; F315-W699 AromaticContact CG-CE3 3.84Å; F315-W699 HydrophobicContact CG-CE3 3.84Å; F315-W699 HydrophobicContact CG-CZ3 4.2Å; F315-W699 AromaticContact CZ-CE3 3.66Å; F315-W699 HydrophobicContact CZ-CE3 3.66Å; F315-W699 AromaticContact CZ-CZ3 3.99Å; F315-W699 HydrophobicContact CZ-CZ3 3.99Å
316Y95.6Very high77.1Confident2 Ų241.5 Ų41.51%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-98.5117.2167.4-76.6-110.2000108.7M314 I323 T324 V325 I375 V388 I390 V697 V698 V700M314-Y316 HydrophobicContact CB-CE2 4.33Å; Y316-I323 HydrophobicContact CD1-CG2 4.1Å; Y316-T324 WeakPolarHBondContact CA-O 3.26Å; Y316-V325 HydrophobicContact CD1-CG2 3.82Å; Y316-V325 HydrophobicContact CD2-CG1 4.25Å; Y316-V325 HydrophobicContact CE1-CB 4.5Å; Y316-V325 HydrophobicContact CE1-CG1 4.19Å; Y316-V325 HydrophobicContact CE1-CG2 3.53Å; Y316-V325 HydrophobicContact CE2-CG1 3.81Å; Y316-I375 HydrophobicContact CD1-CD1 3.29Å; Y316-I375 HydrophobicContact CD2-CD1 3.5Å; Y316-I375 VanDerWaalsContact CD2-CD1 3.5Å; Y316-I375 HydrophobicContact CE1-CD1 3.68Å; Y316-I375 HydrophobicContact CE2-CD1 3.89Å; Y316-I375 HydrophobicContact CG-CD1 3.18Å; Y316-V388 HydrophobicContact CE1-CG1 4.31Å; Y316-I390 PolarHBondContact OH-O 3.3Å; Y316-V697 CarbonylContact O-C 3.6Å; Y316-V697 WeakPolarHBondContact O-CA 3.49Å; Y316-V698 PolarHBondContact N-O 3.36Å; Y316-V698 PolarHBondContact O-N 3.47Å; Y316-V700 HydrophobicContact CD2-CB 4.11Å; Y316-V700 HydrophobicContact CD2-CG2 3.65Å; Y316-V700 HydrophobicContact CE2-CB 3.97Å; Y316-V700 HydrophobicContact CE2-CG2 3.79Å
317V96.6Very high79.5Confident0 Ų035.3 Ų35.30%021%0.208CC..EExtended strand (participates in β ladder)trans-114.8121.5-173-177.10000108.8F315 I323 T324 L674 I691 A694 V697F315-V317 HydrophobicContact CB-CG2 4.31Å; V317-I323 WeakPolarHBondContact O-CA 2.92Å; V317-T324 PolarHBondContact N-O 2.97Å; V317-T324 PolarHBondContact O-N 3.2Å; V317-L674 HydrophobicContact CG1-CD1 4.12Å; V317-L674 HydrophobicContact CG1-CD2 4.29Å; V317-L674 HydrophobicContact CG2-CD2 3.71Å; V317-I691 HydrophobicContact CG1-CG2 3.83Å; V317-A694 HydrophobicContact CG1-CB 3.52Å; V317-V697 HydrophobicContact CG1-CG2 4.24Å; V317-V697 HydrophobicContact CG2-CG1 4.26Å; V317-V697 HydrophobicContact CG2-CG2 4.39Å
318F94.8Very high81.9Confident0 Ų028.3 Ų28.30%018%0.176CC..EExtended strand (participates in β ladder)trans-102119.6-178.4-56.8-93.4000109.1I323 W364 A367 I375 V377 A694 N695 T696 V698F318-I323 HydrophobicContact CD1-CB 4.45Å; F318-I323 HydrophobicContact CD1-CD1 4.16Å; F318-I323 HydrophobicContact CD1-CG1 3.73Å; F318-I323 HydrophobicContact CD1-CG2 4.19Å; F318-I323 HydrophobicContact CE1-CB 4.47Å; F318-I323 HydrophobicContact CE1-CD1 3.78Å; F318-I323 HydrophobicContact CE1-CG1 3.81Å; F318-I323 HydrophobicContact CE1-CG2 3.89Å; F318-I323 HydrophobicContact CZ-CG2 4.36Å; F318-W364 HydrophobicContact CB-CB 4.31Å; F318-W364 HydrophobicContact CB-CD2 4.01Å; F318-W364 HydrophobicContact CB-CG 3.71Å; F318-W364 HydrophobicContact CD1-CD2 4.27Å; F318-W364 HydrophobicContact CD1-CE3 4.39Å; F318-A367 HydrophobicContact CD2-CB 4.35Å; F318-A367 HydrophobicContact CE2-CB 3.88Å; F318-A367 HydrophobicContact CZ-CB 4.31Å; F318-I375 HydrophobicContact CE2-CG2 4.42Å; F318-I375 HydrophobicContact CZ-CG2 3.87Å; F318-V377 HydrophobicContact CD1-CB 4.15Å; F318-V377 HydrophobicContact CD1-CG1 4.08Å; F318-V377 HydrophobicContact CD1-CG2 3.74Å; F318-V377 HydrophobicContact CE1-CB 3.71Å; F318-V377 HydrophobicContact CE1-CG1 3.57Å; F318-V377 HydrophobicContact CE1-CG2 3.84Å; F318-V377 HydrophobicContact CG-CG2 4.13Å; F318-V377 HydrophobicContact CZ-CB 4.01Å; F318-V377 HydrophobicContact CZ-CG1 4.26Å; F318-V377 HydrophobicContact CZ-CG2 4.29Å; F318-A694 WeakPolarHBondContact O-CA 3.37Å; F318-N695 PolarHBondContact O-N 2.72Å; F318-N695 PolarHBondContact O-OD1 2.94Å; F318-T696 HydrophobicContact CD2-CG2 4.03Å; F318-T696 WeakPolarHBondContact CD2-O 3.4Å; F318-T696 PolarHBondContact N-O 2.96Å; F318-V698 HydrophobicContact CE2-CB 4.48Å; F318-V698 HydrophobicContact CE2-CG2 4.15Å
319S93.4Very high84Confident3 Ų327.7 Ų27.72%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-132.6177-17772.90000111.8E321 G322 C362 W364 K692S319-E321 PolarHBondContact O-N 2.92Å; S319-E321 PolarHBondContact OG-N 2.93Å; S319-G322 PolarHBondContact N-O 3.29Å; S319-G322 PolarHBondContact O-N 2.88Å; S319-C362 WeakPolarHBondContact O-CB 3.48Å; S319-W364 PolarHBondContact O-NE1 3.24Å; S319-K692 WeakPolarHBondContact CB-O 3.33Å
320D89.3Confident85.8Confident14 Ų1426.9 Ų26.98%0.07515%0.154CC..THydrogen-bonded Turntrans-62.8-22.9178.158.2-6.7000114.3R361 C362 R693D320-R361 HydrophobicContact CB-CB 3.83Å; D320-R361 HydrophobicContact CB-CG 3.9Å; D320-R361 IonicContact OD2-NE 3.84Å; D320-C362 PolarHBondContact O-N 3.29Å; D320-R693 WeakPolarHBondContact OD2-CD 3.09Å; D320-R693 IonicContact OD2-NE 3.87Å
321E89.6Confident87.8Confident91 Ų9123.3 Ų23.343%0.42513%0.129SC..THydrogen-bonded Turntrans-89-12.7178-65.3-57.2148.700114.2S319 R339S319-E321 PolarHBondContact O-N 2.92Å; S319-E321 PolarHBondContact OG-N 2.93Å; E321-R339 WeakPolarHBondContact O-CB 3.26Å; E321-R339 PolarHBondContact O-N 3.31Å
322G93.5Very high89.5Confident0 Ų024.5 Ų24.50%013%0.131CC..EExtended strand (participates in β ladder)trans138.7-136.7175.800000113.7S319 L337 M350S319-G322 PolarHBondContact N-O 3.29Å; S319-G322 PolarHBondContact O-N 2.88Å; G322-L337 WeakPolarHBondContact CA-O 3.34Å; G322-M350 VanDerWaalsContact CA-CE 3.5Å
323I96.1Very high90.8Very high0 Ų026.4 Ų26.40%014%0.137CC..EExtended strand (participates in β ladder)trans-119.7124.5-177.5-50.2173000108.7Y316 V317 F318 H336 L337 M350 W364 V388 V395Y316-I323 HydrophobicContact CD1-CG2 4.1Å; V317-I323 WeakPolarHBondContact O-CA 2.92Å; F318-I323 HydrophobicContact CD1-CB 4.45Å; F318-I323 HydrophobicContact CD1-CD1 4.16Å; F318-I323 HydrophobicContact CD1-CG1 3.73Å; F318-I323 HydrophobicContact CD1-CG2 4.19Å; F318-I323 HydrophobicContact CE1-CB 4.47Å; F318-I323 HydrophobicContact CE1-CD1 3.78Å; F318-I323 HydrophobicContact CE1-CG1 3.81Å; F318-I323 HydrophobicContact CE1-CG2 3.89Å; F318-I323 HydrophobicContact CZ-CG2 4.36Å; I323-H336 CarbonylContact O-C 3.58Å; I323-L337 HydrophobicContact CB-CB 4.2Å; I323-L337 HydrophobicContact CB-CD1 4.11Å; I323-L337 HydrophobicContact CG2-CD1 4.31Å; I323-L337 PolarHBondContact N-O 2.93Å; I323-L337 PolarHBondContact O-N 3.19Å; I323-M350 HydrophobicContact CD1-CE 4.47Å; I323-M350 HydrophobicContact CD1-SD 3.54Å; I323-M350 VanDerWaalsContact CD1-SD 3.54Å; I323-M350 HydrophobicContact CG1-CE 4.09Å; I323-M350 HydrophobicContact CG1-SD 3.76Å; I323-W364 HydrophobicContact CG1-CH2 4.37Å; I323-W364 HydrophobicContact CG1-CZ2 4.38Å; I323-V388 HydrophobicContact CD1-CG2 3.83Å; I323-V395 HydrophobicContact CD1-CG2 3.98Å
324T95.9Very high91.3Very high2 Ų227.8 Ų27.81%0.01214%0.137CC..EExtended strand (participates in β ladder)trans-113.8130.6177.9-57.50000110Y316 V317 I333 H336 I691Y316-T324 WeakPolarHBondContact CA-O 3.26Å; V317-T324 PolarHBondContact N-O 2.97Å; V317-T324 PolarHBondContact O-N 3.2Å; T324-I333 HydrophobicContact CG2-CB 4.37Å; T324-I333 HydrophobicContact CG2-CD1 4.21Å; T324-I333 HydrophobicContact CG2-CG1 3.95Å; T324-I333 HydrophobicContact CG2-CG2 3.66Å; T324-H336 PolarHBondContact OG1-ND1 3.35Å; T324-I691 HydrophobicContact CG2-CD1 3.64Å; T324-I691 HydrophobicContact CG2-CG1 4.15Å
325V93.8Very high91.4Very high0 Ų031.4 Ų31.40%015%0.15CC..EExtended strand (participates in β ladder)trans-104115.9176.7-165.50000107.7M314 F315 Y316 R334 R335 L337M314-V325 HydrophobicContact CB-CG1 4.05Å; M314-V325 HydrophobicContact CE-CG1 3.68Å; M314-V325 HydrophobicContact CG-CG1 4.4Å; F315-V325 WeakPolarHBondContact O-CA 3.45Å; Y316-V325 HydrophobicContact CD1-CG2 3.82Å; Y316-V325 HydrophobicContact CD2-CG1 4.25Å; Y316-V325 HydrophobicContact CE1-CB 4.5Å; Y316-V325 HydrophobicContact CE1-CG1 4.19Å; Y316-V325 HydrophobicContact CE1-CG2 3.53Å; Y316-V325 HydrophobicContact CE2-CG1 3.81Å; V325-R334 PolarHBondContact O-N 2.95Å; V325-R335 HydrophobicContact CB-CB 4.02Å; V325-R335 HydrophobicContact CG2-CB 3.94Å; V325-R335 HydrophobicContact CG2-CG 4.38Å; V325-R335 PolarHBondContact N-O 3.1Å; V325-R335 PolarHBondContact O-N 3Å; V325-L337 HydrophobicContact CG2-CD1 4.27Å
326L92.3Very high91.4Very high0 Ų034.6 Ų34.60%017%0.165CC..EExtended strand (participates in β ladder)trans-121.1127.1-167-178.874.2000110.9M314 F315 I333 L674 I676 V688M314-L326 WeakPolarHBondContact CE-O 3.39Å; F315-L326 HydrophobicContact CB-CB 4.37Å; F315-L326 PolarHBondContact N-O 3.21Å; F315-L326 PolarHBondContact O-N 2.82Å; L326-I333 HydrophobicContact CD1-CG1 4.1Å; L326-L674 HydrophobicContact CD2-CD2 3.46Å; L326-L674 VanDerWaalsContact CD2-CD2 3.46Å; L326-I676 HydrophobicContact CD1-CD1 4.42Å; L326-I676 HydrophobicContact CD2-CD1 3.54Å; L326-I676 HydrophobicContact CD2-CG1 4.01Å; L326-I676 HydrophobicContact CG-CD1 4.09Å; L326-V688 HydrophobicContact CD1-CG2 4.06Å; L326-V688 HydrophobicContact CD2-CG2 4.38Å
327Q89.2Confident91.4Very high34 Ų3434.5 Ų34.516%0.15917%0.165CC..EExtended strand (participates in β ladder)trans-88119.4171.6-173.3177.2-47.400108.5M314 S329 E330 C331 E332 R334M314-Q327 HydrophobicContact CE-CB 3.77Å; M314-Q327 VanDerWaalsContact SD-CA 3.51Å; M314-Q327 HydrophobicContact SD-CB 3.58Å; M314-Q327 VanDerWaalsContact SD-CB 3.58Å; M314-Q327 HydrophobicContact SD-CG 3.94Å; Q327-S329 PolarHBondContact NE2-OG 2.86Å; Q327-E330 VanDerWaalsContact NE2-CD 3.25Å; Q327-E330 PolarHBondContact NE2-OE1 2.73Å; Q327-E330 PolarHBondContact NE2-OE2 3.41Å; Q327-C331 VanDerWaalsContact O-CA 3.29Å; Q327-C331 WeakPolarHBondContact O-CA 3.44Å; Q327-C331 PolarHBondContact O-N 2.81Å; Q327-E332 PolarHBondContact N-O 3.42Å; Q327-E332 PolarHBondContact O-N 3.08Å; Q327-R334 HydrophobicContact CB-CG 4.11Å
328P89.8Confident91.2Very high5 Ų540.9 Ų40.93%0.03219%0.192CC..THydrogen-bonded Turntrans-72.6-33.2-171.228.1-35.2000113.8F315 E330 C331 Y665 I676 H685 W699F315-P328 HydrophobicContact CD2-CB 3.92Å; F315-P328 HydrophobicContact CD2-CG 4.08Å; F315-P328 HydrophobicContact CE2-CB 3.78Å; F315-P328 HydrophobicContact CE2-CG 3.98Å; P328-E330 PolarHBondContact O-N 2.83Å; P328-C331 PolarHBondContact O-N 3.45Å; P328-Y665 HydrophobicContact CB-CD1 4.45Å; P328-Y665 HydrophobicContact CB-CD2 3.63Å; P328-Y665 HydrophobicContact CB-CE2 4.35Å; P328-Y665 HydrophobicContact CB-CG 3.68Å; P328-Y665 HydrophobicContact CG-CD2 3.77Å; P328-Y665 HydrophobicContact CG-CE2 4.43Å; P328-Y665 HydrophobicContact CG-CG 4.3Å; P328-I676 HydrophobicContact CB-CG2 4.16Å; P328-H685 PolarHBondContact O-CD2 2.73Å; P328-H685 VanDerWaalsContact O-CD2 3.25Å; P328-H685 PolarHBondContact O-NE2 3.12Å; P328-W699 HydrophobicContact CG-CH2 4.25Å; P328-W699 HydrophobicContact CG-CZ3 4.02Å
329S83.9Confident91Very high53 Ų5344.4 Ų44.437%0.37121%0.206SC..THydrogen-bonded Turntrans-65.2-42.5-17654.80000113.6Q327 H685Q327-S329 PolarHBondContact NE2-OG 2.86Å; S329-H685 PolarHBondContact O-NE2 2.89Å
330E83.3Confident90.9Very high111 Ų11147.6 Ų47.652%0.51923%0.225SC..THydrogen-bonded Turntrans-96.8-5.7179.2-68.8166.5-164.300112.7Q327 P328 E332 R334Q327-E330 VanDerWaalsContact NE2-CD 3.25Å; Q327-E330 PolarHBondContact NE2-OE1 2.73Å; Q327-E330 PolarHBondContact NE2-OE2 3.41Å; P328-E330 PolarHBondContact O-N 2.83Å; E330-E332 HydrophobicContact CB-CB 4.09Å; E330-E332 PolarHBondContact O-N 3.15Å; E330-R334 IonicContact OE1-NH2 2.77Å; E330-R334 IonicContact OE2-CZ 3.73Å; E330-R334 IonicContact OE2-NH1 3.99Å; E330-R334 IonicContact OE2-NH2 3.75Å; E330-R334 PolarHBondContact OE2-NH2 3.19Å
331C88.5Confident91.1Very high27 Ų2749.6 Ų49.618%0.18223%0.234CC..THydrogen-bonded Turntrans54.827.4-170.1-55.60000113.6Q327 P328 I676 H685 C686Q327-C331 VanDerWaalsContact O-CA 3.29Å; Q327-C331 WeakPolarHBondContact O-CA 3.44Å; Q327-C331 PolarHBondContact O-N 2.81Å; P328-C331 PolarHBondContact O-N 3.45Å; C331-I676 HydrophobicContact CB-CD1 4.03Å; C331-H685 PolarHBondContact SG-CD2 3.17Å; C331-C686 HydrophobicContact CB-CB 3.85Å; C331-C686 WeakPolarHBondContact CB-SG 2.94Å; C331-C686 WeakPolarHBondContact SG-CB 3.47Å; C331-C686 CovalentContact SG-SG 2Å; C331-C686 PolarHBondContact SG-SG 3.17Å
332E88.3Confident91.3Very high84 Ų8453.1 Ų53.139%0.39324%0.243SC..EExtended strand (participates in β ladder)trans-92.6131.1-172.6-164.6-170.4131.900110.8Q327 E330 R334Q327-E332 PolarHBondContact N-O 3.42Å; Q327-E332 PolarHBondContact O-N 3.08Å; E330-E332 HydrophobicContact CB-CB 4.09Å; E330-E332 PolarHBondContact O-N 3.15Å; E332-R334 PolarHBondContact O-N 2.84Å; E332-R334 VanDerWaalsContact O-N 3.16Å; E332-R334 IonicContact OE1-CZ 3.59Å; E332-R334 IonicContact OE1-NH1 2.83Å; E332-R334 PolarHBondContact OE1-NH1 3.3Å; E332-R334 IonicContact OE2-CZ 3.55Å; E332-R334 IonicContact OE2-NH1 3.77Å; E332-R334 PolarHBondContact OE2-NH1 3.48Å; E332-R334 IonicContact OE2-NH2 3.85Å
333I90.2Very high91.3Very high56 Ų5653.1 Ų53.129%0.28724%0.244SC..EExtended strand (participates in β ladder)trans-74.7102.5168.4-62.5172.6000108.1T324 L326 H336 V688 D690 I691T324-I333 HydrophobicContact CG2-CB 4.37Å; T324-I333 HydrophobicContact CG2-CD1 4.21Å; T324-I333 HydrophobicContact CG2-CG1 3.95Å; T324-I333 HydrophobicContact CG2-CG2 3.66Å; L326-I333 HydrophobicContact CD1-CG1 4.1Å; I333-H336 HydrophobicContact CG2-CB 4.25Å; I333-V688 HydrophobicContact CD1-CG1 4.07Å; I333-V688 HydrophobicContact CG1-CG1 4.34Å; I333-D690 HydrophobicContact CD1-CB 4.2Å; I333-I691 HydrophobicContact CD1-CG1 4.4Å
334R89.4Confident91.2Very high86 Ų8656.8 Ų56.833%0.32527%0.266SS..EExtended strand (participates in β ladder)trans-73.5-36.1177.5-68.9-62.9-167.5-156.8-1.9112M314 V325 Q327 E330 E332M314-R334 HydrophobicContact CE-CB 3.68Å; M314-R334 HydrophobicContact CE-CG 3.35Å; M314-R334 HydrophobicContact SD-CG 4.39Å; V325-R334 PolarHBondContact O-N 2.95Å; Q327-R334 HydrophobicContact CB-CG 4.11Å; E330-R334 IonicContact OE1-NH2 2.77Å; E330-R334 IonicContact OE2-CZ 3.73Å; E330-R334 IonicContact OE2-NH1 3.99Å; E330-R334 IonicContact OE2-NH2 3.75Å; E330-R334 PolarHBondContact OE2-NH2 3.19Å; E332-R334 PolarHBondContact O-N 2.84Å; E332-R334 VanDerWaalsContact O-N 3.16Å; E332-R334 IonicContact OE1-CZ 3.59Å; E332-R334 IonicContact OE1-NH1 2.83Å; E332-R334 PolarHBondContact OE1-NH1 3.3Å; E332-R334 IonicContact OE2-CZ 3.55Å; E332-R334 IonicContact OE2-NH1 3.77Å; E332-R334 PolarHBondContact OE2-NH1 3.48Å; E332-R334 IonicContact OE2-NH2 3.85Å
335R91.8Very high91Very high92 Ų9259.9 Ų59.935%0.34729%0.292SS..EExtended strand (participates in β ladder)trans-151.1143-179.9-178.969-179.2167.53.9110.6V325 L337 E341 Q393V325-R335 HydrophobicContact CB-CB 4.02Å; V325-R335 HydrophobicContact CG2-CB 3.94Å; V325-R335 HydrophobicContact CG2-CG 4.38Å; V325-R335 PolarHBondContact N-O 3.1Å; V325-R335 PolarHBondContact O-N 3Å; R335-L337 HydrophobicContact CG-CD1 3.93Å; R335-L337 HydrophobicContact CG-CG 4.49Å; R335-E341 IonicContact NH2-OE1 2.72Å; R335-E341 PolarHBondContact NH2-OE1 3.32Å; R335-E341 IonicContact NH2-OE2 2.81Å; R335-Q393 VanDerWaalsContact CB-OE1 3.3Å; R335-Q393 HydrophobicContact CG-CB 4.33Å
336H94.4Very high90.8Very high66 Ų6662.7 Ų62.731%0.30631%0.309SS..EExtended strand (participates in β ladder)trans-131111.3170.1178.768.5000109.2I323 T324 I333I323-H336 CarbonylContact O-C 3.58Å; T324-H336 PolarHBondContact OG1-ND1 3.35Å; I333-H336 HydrophobicContact CG2-CB 4.25Å
337L94.6Very high90.8Very high1 Ų170.8 Ų70.81%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-85.7111.6172.6-61.291000108.7G322 I323 V325 R335 E341 Q393 V395G322-L337 WeakPolarHBondContact CA-O 3.34Å; I323-L337 HydrophobicContact CB-CB 4.2Å; I323-L337 HydrophobicContact CB-CD1 4.11Å; I323-L337 HydrophobicContact CG2-CD1 4.31Å; I323-L337 PolarHBondContact N-O 2.93Å; I323-L337 PolarHBondContact O-N 3.19Å; V325-L337 HydrophobicContact CG2-CD1 4.27Å; R335-L337 HydrophobicContact CG-CD1 3.93Å; R335-L337 HydrophobicContact CG-CG 4.49Å; L337-E341 VanDerWaalsContact CA-OE2 3.26Å; L337-E341 WeakPolarHBondContact CA-OE2 3.41Å; L337-Q393 WeakPolarHBondContact CD2-O 3.46Å; L337-V395 HydrophobicContact CD2-CG2 4.16Å
338K93.3Very high90.9Very high133 Ų13373.8 Ų73.858%0.57835%0.354SS*.EExtended strand (participates in β ladder)trans-71.4148.5-176.4-63.3-178.3-178.1-178.50110.1T340 E341 M350K338-T340 PolarHBondContact O-N 3.2Å; K338-E341 WeakPolarHBondContact O-CB 3.19Å; K338-E341 PolarHBondContact O-N 3.49Å; K338-M350 WeakPolarHBondContact O-CE 3.39Å
339R90.9Very high91Very high74 Ų7476.4 Ų76.428%0.27937%0.366SS..THydrogen-bonded Turntrans-50.8-25.7173.769-176.5-174.51661.3116.3E321 M350 C351 Q360 C362E321-R339 WeakPolarHBondContact O-CB 3.26Å; E321-R339 PolarHBondContact O-N 3.31Å; R339-M350 PolarHBondContact O-N 2.66Å; R339-C351 HydrophobicContact CB-CB 4.04Å; R339-C351 PolarHBondContact O-N 2.99Å; R339-Q360 PolarHBondContact NH1-O 2.97Å; R339-C362 WeakPolarHBondContact CB-SG 3.22Å
340T91.1Very high91.4Very high71 Ų7174 Ų7444%0.43635%0.349SS..THydrogen-bonded Turntrans-91.1-3.5177.758.80000113.4K338K338-T340 PolarHBondContact O-N 3.2Å
341E93.2Very high91.6Very high56 Ų5669.4 Ų69.426%0.26233%0.329SS..PPolyproline II helixtrans-63.8140.6175.1-165.5159.918000109.2R335 L337 K338 M350R335-E341 IonicContact NH2-OE1 2.72Å; R335-E341 PolarHBondContact NH2-OE1 3.32Å; R335-E341 IonicContact NH2-OE2 2.81Å; L337-E341 VanDerWaalsContact CA-OE2 3.26Å; L337-E341 WeakPolarHBondContact CA-OE2 3.41Å; K338-E341 WeakPolarHBondContact O-CB 3.19Å; K338-E341 PolarHBondContact O-N 3.49Å; E341-M350 PolarHBondContact O-N 3.04Å
342R93.8Very high91.2Very high164 Ų16470.8 Ų70.862%0.61934%0.338SS*.BIsolated β-bridgetrans-88.7138-172.9-70.2-177.8178.2177.2-0.3110.8Y347 E348R342-Y347 VanDerWaalsContact CD-O 3.26Å; R342-Y347 WeakPolarHBondContact CD-O 3.41Å; R342-Y347 WeakPolarHBondContact CG-O 3.33Å; R342-E348 CarbonylContact C-O 3.57Å; R342-E348 VanDerWaalsContact CA-O 3.26Å; R342-E348 WeakPolarHBondContact CA-O 3.37Å
343I94.2Very high90.4Very high1 Ų174 Ų741%0.00535%0.351CS..PPolyproline II helixtrans-67.5131.3172.6-57.9173000108.2A345 T346 Y347 E348 L386 V395 A398I343-A345 PolarHBondContact O-N 3.22Å; I343-T346 PolarHBondContact O-N 3.02Å; I343-Y347 VanDerWaalsContact O-CA 3.3Å; I343-Y347 WeakPolarHBondContact O-CA 3.48Å; I343-Y347 PolarHBondContact O-N 3.49Å; I343-E348 PolarHBondContact N-O 2.84Å; I343-L386 HydrophobicContact CD1-CD2 3.71Å; I343-V395 HydrophobicContact CG1-CB 4.47Å; I343-V395 HydrophobicContact CG1-CG1 3.98Å; I343-V395 HydrophobicContact CG2-CG1 4.18Å; I343-A398 HydrophobicContact CD1-CB 3.71Å; I343-A398 HydrophobicContact CG2-CB 4.5Å
344V93.9Very high89Confident77 Ų7774.1 Ų74.147%0.46737%0.366SS..THydrogen-bonded Turntrans-58.8-47-172.5176.60000111.8K394 V395V344-K394 HydrophobicContact CG2-CB 4.41Å; V344-K394 HydrophobicContact CG2-CD 4.41Å; V344-V395 WeakPolarHBondContact CG2-O 3.5Å; V344-V395 PolarHBondContact N-O 3.32Å
345A90.8Very high87.3Confident67 Ų6779.7 Ų79.755%0.55440%0.395SS*.THydrogen-bonded Turntrans-71.8-36.7-175.800000114.5I343 V396I343-A345 PolarHBondContact O-N 3.22Å; A345-V396 VanDerWaalsContact CB-O 3.24Å; A345-V396 WeakPolarHBondContact CB-O 3.4Å; A345-V396 PolarHBondContact N-O 2.69Å
346T90.9Very high85.5Confident59 Ų5979.3 Ų79.336%0.36242%0.42SS..THydrogen-bonded Turntrans-109.7-13.4-170.561.50000114.2I343 E348I343-T346 PolarHBondContact O-N 3.02Å; T346-E348 PolarHBondContact O-N 3.04Å; T346-E348 VanDerWaalsContact O-N 3.08Å; T346-E348 PolarHBondContact OG1-N 2.91Å
347Y90.3Very high83.1Confident169 Ų16981.9 Ų81.966%0.66344%0.44SS*.  trans58.39.2-170.7-69-91.2000115.3R342 I343R342-Y347 VanDerWaalsContact CD-O 3.26Å; R342-Y347 WeakPolarHBondContact CD-O 3.41Å; R342-Y347 WeakPolarHBondContact CG-O 3.33Å; I343-Y347 VanDerWaalsContact O-CA 3.3Å; I343-Y347 WeakPolarHBondContact O-CA 3.48Å; I343-Y347 PolarHBondContact O-N 3.49Å
348E91.3Very high80.9Confident97 Ų9786.9 Ų86.945%0.45348%0.475SS..  trans-72.6150.3172.4-65.4177.9-179.400110.7R342 I343 T346 R384R342-E348 CarbonylContact C-O 3.57Å; R342-E348 VanDerWaalsContact CA-O 3.26Å; R342-E348 WeakPolarHBondContact CA-O 3.37Å; I343-E348 PolarHBondContact N-O 2.84Å; T346-E348 PolarHBondContact O-N 3.04Å; T346-E348 VanDerWaalsContact O-N 3.08Å; T346-E348 PolarHBondContact OG1-N 2.91Å; E348-R384 IonicContact OE2-NH1 3.01Å; E348-R384 PolarHBondContact OE2-NH1 2.88Å
349E91.8Very high78.9Confident61 Ų6184.7 Ų84.729%0.28547%0.474SS..BIsolated β-bridgetrans-63.3145.3169.1-64.6-174.6155.500110.3C351 P352 R384E349-C351 PolarHBondContact O-N 3.01Å; E349-P352 WeakPolarHBondContact O-CD 3.38Å; E349-R384 PolarHBondContact O-NH2 3.15Å
350M92.6Very high77.8Confident1 Ų186.1 Ų86.11%0.00548%0.484CS..SBendtrans-56.4-39176.5-177.2169.16200112G322 I323 K338 R339 E341 W364 Q379 R384 L386 V395G322-M350 VanDerWaalsContact CA-CE 3.5Å; I323-M350 HydrophobicContact CD1-CE 4.47Å; I323-M350 HydrophobicContact CD1-SD 3.54Å; I323-M350 VanDerWaalsContact CD1-SD 3.54Å; I323-M350 HydrophobicContact CG1-CE 4.09Å; I323-M350 HydrophobicContact CG1-SD 3.76Å; K338-M350 WeakPolarHBondContact O-CE 3.39Å; R339-M350 PolarHBondContact O-N 2.66Å; E341-M350 PolarHBondContact O-N 3.04Å; M350-W364 HydrophobicContact CG-CH2 3.99Å; M350-W364 HydrophobicContact SD-CH2 3.91Å; M350-W364 HydrophobicContact SD-CZ2 4.47Å; M350-Q379 PolarHBondContact O-NE2 3.29Å; M350-Q379 PolarHBondContact O-OE1 2.92Å; M350-R384 PolarHBondContact O-NH2 2.85Å; M350-L386 HydrophobicContact CG-CD1 3.51Å; M350-L386 HydrophobicContact SD-CD1 4.15Å; M350-V395 HydrophobicContact SD-CG2 3.79Å
351C88.5Confident77.1Confident15 Ų1587.6 Ų87.610%0.10148%0.482CS..SBendtrans-132.384.3176-52.20000109.2R339 E349 C362R339-C351 HydrophobicContact CB-CB 4.04Å; R339-C351 PolarHBondContact O-N 2.99Å; E349-C351 PolarHBondContact O-N 3.01Å; C351-C362 HydrophobicContact CB-CB 4.14Å; C351-C362 WeakPolarHBondContact CB-SG 3.22Å; C351-C362 VanDerWaalsContact SG-CA 3.58Å; C351-C362 WeakPolarHBondContact SG-CB 3.38Å; C351-C362 CovalentContact SG-SG 2.03Å; C351-C362 PolarHBondContact SG-SG 2.84Å
352P80.7Confident76.8Confident56 Ų5685.1 Ų85.136%0.36447%0.471SS..  trans-69.5154.7-173.328.8-33.6000111.8E349 G354E349-P352 WeakPolarHBondContact O-CD 3.38Å; P352-G354 PolarHBondContact O-N 3.38Å
353K71.1Confident76.6Confident153 Ų15378.8 Ų78.867%0.66545%0.45SS*.  trans-70.1111.8175.5-64.1177.1-175.8173.10109.8
354G61.3Low76.4Confident58 Ų5878.7 Ų78.760%0.59845%0.45SS*.  trans-65.6145.9169.500000111.5P352 G356P352-G354 PolarHBondContact O-N 3.38Å; G354-G356 PolarHBondContact O-N 2.81Å
355E52.8Low76.3Confident203 Ų20375.7 Ų75.795%0.94943%0.432SS*.SBendtrans-68.5108.5171.1-71.4-174.7160.300109.6
356G53.3Low76.4Confident83 Ų8373.5 Ų73.586%0.85641%0.412SS*.SBendtrans94.66.4159.500000119.8G354G354-G356 PolarHBondContact O-N 2.81Å
357V45.4Very low76.6Confident121 Ų12171.5 Ų71.573%0.73340%0.402SS*.  trans-126.5134177.2-172.70000112.4
358S47Very low76.9Confident106 Ų10664.3 Ų64.374%0.74138%0.376SS*.SBendtrans-105.8150.4167.668.90000110.6
359P51.4Low77Confident87 Ų8761.6 Ų61.657%0.56536%0.364SS*.  cis-92.6144.2-3.227.8-16.3000113.6R361P359-R361 HydrophobicContact CB-CG 4.48Å; P359-R361 PolarHBondContact O-N 2.86Å
360Q68.6Low77.1Confident104 Ų10458.7 Ų58.749%0.48635%0.351SS..  trans-69101.5175.5-63.9165.2-14.400110.3R339R339-Q360 PolarHBondContact NH1-O 2.97Å
361R76.3Confident76.9Confident102 Ų10264.5 Ų64.539%0.38537%0.373SS..  trans-141.3147-178.1-67.1-175.5176.8152.21110.1D320 P359 V363 R693D320-R361 HydrophobicContact CB-CB 3.83Å; D320-R361 HydrophobicContact CB-CG 3.9Å; D320-R361 IonicContact OD2-NE 3.84Å; P359-R361 HydrophobicContact CB-CG 4.48Å; P359-R361 PolarHBondContact O-N 2.86Å; R361-V363 PolarHBondContact O-N 2.87Å; R361-R693 VanDerWaalsContact NH1-CZ 3.28Å
362C86.7Confident76.5Confident4 Ų469.1 Ų69.13%0.02739%0.392CS..  trans-64.1133.2163-60.50000109S319 D320 R339 C351 W364S319-C362 WeakPolarHBondContact O-CB 3.48Å; D320-C362 PolarHBondContact O-N 3.29Å; R339-C362 WeakPolarHBondContact CB-SG 3.22Å; C351-C362 HydrophobicContact CB-CB 4.14Å; C351-C362 WeakPolarHBondContact CB-SG 3.22Å; C351-C362 VanDerWaalsContact SG-CA 3.58Å; C351-C362 WeakPolarHBondContact SG-CB 3.38Å; C351-C362 CovalentContact SG-SG 2.03Å; C351-C362 PolarHBondContact SG-SG 2.84Å; C362-W364 HydrophobicContact CB-CD2 4.49Å; C362-W364 HydrophobicContact CB-CH2 4.44Å; C362-W364 HydrophobicContact CB-CZ2 3.48Å; C362-W364 VanDerWaalsContact CB-CZ2 3.48Å
363V88.8Confident76.8Confident30 Ų3069.6 Ų69.618%0.18239%0.389CS..  trans-121.5119.1175.1-179.80000107.1R361 L381 W649R361-V363 PolarHBondContact O-N 2.87Å; V363-L381 HydrophobicContact CB-CD1 4.02Å; V363-L381 HydrophobicContact CB-CG 4.35Å; V363-L381 HydrophobicContact CG1-CD1 4.32Å; V363-L381 HydrophobicContact CG1-CG 4.37Å; V363-L381 HydrophobicContact CG2-CD1 3.68Å; V363-W649 HydrophobicContact CG1-CZ2 4.01Å
364W91.3Very high78Confident0 Ų063 Ų630%036%0.36CS..  trans-104.9174.7179.4-46.8108.1000108.6F318 S319 I323 M350 C362 V377 T378 Q379 L386 W647F318-W364 HydrophobicContact CB-CB 4.31Å; F318-W364 HydrophobicContact CB-CD2 4.01Å; F318-W364 HydrophobicContact CB-CG 3.71Å; F318-W364 HydrophobicContact CD1-CD2 4.27Å; F318-W364 HydrophobicContact CD1-CE3 4.39Å; S319-W364 PolarHBondContact O-NE1 3.24Å; I323-W364 HydrophobicContact CG1-CH2 4.37Å; I323-W364 HydrophobicContact CG1-CZ2 4.38Å; M350-W364 HydrophobicContact CG-CH2 3.99Å; M350-W364 HydrophobicContact SD-CH2 3.91Å; M350-W364 HydrophobicContact SD-CZ2 4.47Å; C362-W364 HydrophobicContact CB-CD2 4.49Å; C362-W364 HydrophobicContact CB-CH2 4.44Å; C362-W364 HydrophobicContact CB-CZ2 3.48Å; C362-W364 VanDerWaalsContact CB-CZ2 3.48Å; W364-V377 HydrophobicContact CB-CG2 4.35Å; W364-V377 HydrophobicContact CD2-CG2 4.21Å; W364-V377 HydrophobicContact CE3-CG1 4.18Å; W364-V377 HydrophobicContact CE3-CG2 3.54Å; W364-V377 HydrophobicContact CZ3-CG1 3.91Å; W364-V377 HydrophobicContact CZ3-CG2 4.14Å; W364-T378 WeakPolarHBondContact CA-O 3.44Å; W364-Q379 HydrophobicContact CE3-CG 3.67Å; W364-Q379 HydrophobicContact CH2-CG 4.43Å; W364-Q379 HydrophobicContact CZ3-CG 3.48Å; W364-Q379 VanDerWaalsContact CZ3-CG 3.48Å; W364-Q379 VanDerWaalsContact CZ3-NE2 3.31Å; W364-L386 HydrophobicContact CH2-CD1 3.91Å; W364-L386 HydrophobicContact CZ3-CD1 3.76Å; W364-W647 HydrophobicContact CB-CH2 4.31Å; W364-W647 WeakPolarHBondContact O-CH2 3.49Å; W364-W647 WeakPolarHBondContact O-CZ3 3.44Å
365S91Very high79.6Confident14 Ų1460.3 Ų60.310%0.09833%0.332CS..  trans-145.5-46.7166.8-173.60000112.9T378 P380 V406 W647 W649S365-T378 WeakPolarHBondContact CB-OG1 3.46Å; S365-T378 PolarHBondContact N-O 3.46Å; S365-T378 PolarHBondContact N-OG1 3.09Å; S365-P380 VanDerWaalsContact CB-CG 3.44Å; S365-V406 WeakPolarHBondContact OG-CA 3.26Å; S365-V406 PolarHBondContact OG-O 3.02Å; S365-W647 VanDerWaalsContact CA-CZ2 3.42Å; S365-W649 WeakPolarHBondContact OG-CB 3.46Å
366S93.9Very high81.8Confident20 Ų2050.6 Ų50.614%0.1429%0.286CS..  trans-144.1147.5-179.5179.90000109.1V377 T378 V406 M408S366-V377 CarbonylContact O-C 3.58Å; S366-V377 WeakPolarHBondContact O-CA 3.32Å; S366-T378 PolarHBondContact N-OG1 3.37Å; S366-T378 PolarHBondContact O-N 2.97Å; S366-T378 PolarHBondContact O-OG1 2.87Å; S366-V406 WeakPolarHBondContact CB-O 3.27Å; S366-M408 VanDerWaalsContact O-CE 3.24Å; S366-M408 WeakPolarHBondContact O-CE 3.47Å; S366-M408 PolarHBondContact OG-N 2.9Å
367A95.5Very high83.9Confident18 Ų1846.7 Ų46.715%0.14925%0.246CC..EExtended strand (participates in β ladder)trans-141.6145.9172.700000110.3F318 I375 Y376 V377 T696 V698F318-A367 HydrophobicContact CD2-CB 4.35Å; F318-A367 HydrophobicContact CE2-CB 3.88Å; F318-A367 HydrophobicContact CZ-CB 4.31Å; A367-I375 HydrophobicContact CB-CG2 4.39Å; A367-Y376 CarbonylContact C-O 3.6Å; A367-Y376 WeakPolarHBondContact CA-O 3.49Å; A367-Y376 WeakPolarHBondContact CB-O 3.13Å; A367-V377 HydrophobicContact CB-CB 3.88Å; A367-V377 HydrophobicContact CB-CG2 3.91Å; A367-T696 HydrophobicContact CB-CG2 3.55Å; A367-V698 HydrophobicContact CB-CG2 3.33Å
368V95.4Very high86.3Confident18 Ų1840.9 Ų40.911%0.10921%0.211CC..EExtended strand (participates in β ladder)trans-133.4136.7179.3-64.20000109.9V370 I375 Y376 M408 V417V368-V370 HydrophobicContact CG2-CG2 4.17Å; V368-I375 WeakPolarHBondContact O-CA 3.49Å; V368-Y376 PolarHBondContact N-O 3.32Å; V368-Y376 PolarHBondContact O-N 2.87Å; V368-M408 HydrophobicContact CG1-CB 3.95Å; V368-M408 HydrophobicContact CG2-CB 4.39Å; V368-M408 HydrophobicContact CG2-CE 4.31Å; V368-V417 HydrophobicContact CG2-CG1 4.09Å; V368-V417 HydrophobicContact CG2-CG2 4.19Å
369N94.1Very high88.5Confident39 Ų3935.9 Ų35.921%0.20918%0.176CC..EExtended strand (participates in β ladder)trans-78.2129.8168.2-174.922.1000109.3R371 Y374 I390 V698N369-R371 VanDerWaalsContact CG-O 3.28Å; N369-R371 PolarHBondContact ND2-O 3.27Å; N369-R371 VanDerWaalsContact ND2-O 3.08Å; N369-R371 PolarHBondContact OD1-O 3.28Å; N369-Y374 PolarHBondContact OD1-O 2.84Å; N369-I390 WeakPolarHBondContact OD1-CD1 3.16Å; N369-V698 HydrophobicContact CB-CG1 3.73Å
370V93.8Very high90.4Very high0 Ų031.7 Ų31.70%015%0.149CC..EExtended strand (participates in β ladder)trans-115.994.6179.5177.50000108.2V368 K373 Y374 Y376 Y410 V417 A438V368-V370 HydrophobicContact CG2-CG2 4.17Å; V370-K373 PolarHBondContact O-N 2.85Å; V370-Y374 WeakPolarHBondContact CA-O 3.49Å; V370-Y374 WeakPolarHBondContact CB-O 3.22Å; V370-Y374 PolarHBondContact N-O 3.12Å; V370-Y374 PolarHBondContact O-N 2.93Å; V370-Y376 HydrophobicContact CB-CD2 4.11Å; V370-Y376 HydrophobicContact CB-CE2 4.04Å; V370-Y376 HydrophobicContact CG1-CE2 4.29Å; V370-Y376 HydrophobicContact CG2-CD2 3.43Å; V370-Y376 VanDerWaalsContact CG2-CD2 3.43Å; V370-Y376 HydrophobicContact CG2-CE2 3.7Å; V370-Y376 HydrophobicContact CG2-CG 4.44Å; V370-Y410 HydrophobicContact CB-CE2 4.44Å; V370-Y410 HydrophobicContact CG1-CD2 4.19Å; V370-Y410 HydrophobicContact CG1-CE1 4.42Å; V370-Y410 HydrophobicContact CG1-CE2 3.69Å; V370-Y410 HydrophobicContact CG2-CD2 3.89Å; V370-Y410 HydrophobicContact CG2-CE2 4.25Å; V370-Y410 HydrophobicContact CG2-CG 4.06Å; V370-V417 HydrophobicContact CG2-CG2 3.61Å; V370-A438 HydrophobicContact CG1-CB 3.94Å
371R87.4Confident91.3Very high124 Ų12431.4 Ų31.447%0.46815%0.15SC..THydrogen-bonded Turntrans55-134.6-173-52.4-168.6179.7-121.9-5.1110.4N369 Y410 D415 S439N369-R371 VanDerWaalsContact CG-O 3.28Å; N369-R371 PolarHBondContact ND2-O 3.27Å; N369-R371 VanDerWaalsContact ND2-O 3.08Å; N369-R371 PolarHBondContact OD1-O 3.28Å; R371-Y410 HydrophobicContact CG-CE1 4.37Å; R371-Y410 WeakPolarHBondContact CG-OH 3.33Å; R371-Y410 PolarHBondContact NE-OH 2.84Å; R371-D415 IonicContact NE-OD1 2.65Å; R371-S439 VanDerWaalsContact CD-CB 3.47Å; R371-S439 WeakPolarHBondContact CD-OG 3.37Å; R371-S439 PolarHBondContact NE-OG 3.35Å
372E80.3Confident92Very high111 Ų11129.2 Ų29.252%0.51914%0.144SC..THydrogen-bonded Turntrans-109.616.9178.5-65.1174.5-178.300111.9
373K88.1Confident92.4Very high67 Ų6730.9 Ų30.929%0.29116%0.156SC..THydrogen-bonded Turntrans-113.6-50.6-170.1-161.8-174.3-175.8-158.40113.6V370 I390 S439V370-K373 PolarHBondContact O-N 2.85Å; K373-I390 WeakPolarHBondContact O-CB 3.5Å; K373-I390 PolarHBondContact O-N 2.88Å; K373-S439 WeakPolarHBondContact CD-O 3.34Å; K373-S439 PolarHBondContact NZ-O 2.88Å
374Y94.7Very high92.7Very high15 Ų1530.4 Ų30.46%0.05915%0.15CC..EExtended strand (participates in β ladder)trans-128.3147.4-173.5-61.1-58.1000112.9N369 V370 Y376 V387 V388 D389 V396 A438 H444N369-Y374 PolarHBondContact OD1-O 2.84Å; V370-Y374 WeakPolarHBondContact CA-O 3.49Å; V370-Y374 WeakPolarHBondContact CB-O 3.22Å; V370-Y374 PolarHBondContact N-O 3.12Å; V370-Y374 PolarHBondContact O-N 2.93Å; Y374-Y376 HydrophobicContact CG-CE2 4.5Å; Y374-V387 HydrophobicContact CD1-CG1 3.61Å; Y374-V387 HydrophobicContact CE1-CG1 4.24Å; Y374-V387 HydrophobicContact CG-CG1 3.81Å; Y374-V388 CarbonylContact C-O 3.47Å; Y374-V388 VanDerWaalsContact CA-O 3.25Å; Y374-V388 WeakPolarHBondContact CA-O 3.23Å; Y374-D389 HydrophobicContact CD1-CB 4.22Å; Y374-D389 HydrophobicContact CE1-CB 4.06Å; Y374-V396 HydrophobicContact CE1-CG2 4.25Å; Y374-A438 WeakPolarHBondContact CD2-O 3.35Å; Y374-H444 AromaticContact CD2-CE1 3.95Å; Y374-H444 AromaticContact CE2-CE1 3.64Å; Y374-H444 AromaticContact CE2-NE2 3.62Å; Y374-H444 AromaticContact CZ-NE2 3.83Å
375I96.6Very high92.9Very high0 Ų030.4 Ų30.40%015%0.15CC..EExtended strand (participates in β ladder)trans-110130.7159.4-55.1165000107.7Y316 F318 A367 V368 V388 I390 V698 V700Y316-I375 HydrophobicContact CD1-CD1 3.29Å; Y316-I375 HydrophobicContact CD2-CD1 3.5Å; Y316-I375 VanDerWaalsContact CD2-CD1 3.5Å; Y316-I375 HydrophobicContact CE1-CD1 3.68Å; Y316-I375 HydrophobicContact CE2-CD1 3.89Å; Y316-I375 HydrophobicContact CG-CD1 3.18Å; F318-I375 HydrophobicContact CE2-CG2 4.42Å; F318-I375 HydrophobicContact CZ-CG2 3.87Å; A367-I375 HydrophobicContact CB-CG2 4.39Å; V368-I375 WeakPolarHBondContact O-CA 3.49Å; I375-V388 HydrophobicContact CB-CB 4.2Å; I375-V388 PolarHBondContact N-O 3.24Å; I375-V388 PolarHBondContact O-N 2.99Å; I375-I390 HydrophobicContact CD1-CG1 4.16Å; I375-I390 HydrophobicContact CG1-CD1 3.92Å; I375-I390 HydrophobicContact CG1-CG1 3.82Å; I375-V698 HydrophobicContact CG2-CG1 4.5Å; I375-V698 HydrophobicContact CG2-CG2 4.47Å; I375-V700 HydrophobicContact CD1-CG2 3.61Å; I375-V700 HydrophobicContact CG1-CG2 3.85Å
376Y98.1Very high93.2Very high0 Ų029.7 Ų29.70%015%0.146CC..EExtended strand (participates in β ladder)trans-99.4131.5170.2-72.2-112.5000107.8A367 V368 V370 Y374 L385 L386 V387 M408 V417 I435 A438 H444A367-Y376 CarbonylContact C-O 3.6Å; A367-Y376 WeakPolarHBondContact CA-O 3.49Å; A367-Y376 WeakPolarHBondContact CB-O 3.13Å; V368-Y376 PolarHBondContact N-O 3.32Å; V368-Y376 PolarHBondContact O-N 2.87Å; V370-Y376 HydrophobicContact CB-CD2 4.11Å; V370-Y376 HydrophobicContact CB-CE2 4.04Å; V370-Y376 HydrophobicContact CG1-CE2 4.29Å; V370-Y376 HydrophobicContact CG2-CD2 3.43Å; V370-Y376 VanDerWaalsContact CG2-CD2 3.43Å; V370-Y376 HydrophobicContact CG2-CE2 3.7Å; V370-Y376 HydrophobicContact CG2-CG 4.44Å; Y374-Y376 HydrophobicContact CG-CE2 4.5Å; Y376-L385 HydrophobicContact CD1-CD1 3.67Å; Y376-L385 HydrophobicContact CE1-CD1 4.23Å; Y376-L386 WeakPolarHBondContact CA-O 3.48Å; Y376-V387 HydrophobicContact CD1-CG2 4.01Å; Y376-V387 HydrophobicContact CE1-CG2 3.69Å; Y376-V387 HydrophobicContact CE2-CG1 4.39Å; Y376-M408 VanDerWaalsContact O-CE 3.22Å; Y376-M408 WeakPolarHBondContact O-CE 3.32Å; Y376-V417 HydrophobicContact CD2-CG2 4.22Å; Y376-V417 HydrophobicContact CE2-CG2 4.39Å; Y376-V417 HydrophobicContact CG-CG2 4.28Å; Y376-I435 HydrophobicContact CD1-CD1 3.94Å; Y376-I435 HydrophobicContact CE1-CD1 3.64Å; Y376-I435 HydrophobicContact CE1-CG2 4.25Å; Y376-A438 HydrophobicContact CE2-CB 4.34Å; Y376-A438 WeakPolarHBondContact OH-CA 3.2Å; Y376-A438 PolarHBondContact OH-O 2.83Å; Y376-H444 HydrophobicContact CE1-CB 4.44Å; Y376-H444 AromaticContact CZ-ND1 3.96Å; Y376-H444 PolarHBondContact OH-CE1 3.37Å; Y376-H444 PolarHBondContact OH-ND1 3.12Å
377V97.3Very high93.4Very high0 Ų028.8 Ų28.80%014%0.139CC..EExtended strand (participates in β ladder)trans-134135.2175.8610000111F318 W364 S366 A367 L385 L386F318-V377 HydrophobicContact CD1-CB 4.15Å; F318-V377 HydrophobicContact CD1-CG1 4.08Å; F318-V377 HydrophobicContact CD1-CG2 3.74Å; F318-V377 HydrophobicContact CE1-CB 3.71Å; F318-V377 HydrophobicContact CE1-CG1 3.57Å; F318-V377 HydrophobicContact CE1-CG2 3.84Å; F318-V377 HydrophobicContact CG-CG2 4.13Å; F318-V377 HydrophobicContact CZ-CB 4.01Å; F318-V377 HydrophobicContact CZ-CG1 4.26Å; F318-V377 HydrophobicContact CZ-CG2 4.29Å; W364-V377 HydrophobicContact CB-CG2 4.35Å; W364-V377 HydrophobicContact CD2-CG2 4.21Å; W364-V377 HydrophobicContact CE3-CG1 4.18Å; W364-V377 HydrophobicContact CE3-CG2 3.54Å; W364-V377 HydrophobicContact CZ3-CG1 3.91Å; W364-V377 HydrophobicContact CZ3-CG2 4.14Å; S366-V377 CarbonylContact O-C 3.58Å; S366-V377 WeakPolarHBondContact O-CA 3.32Å; A367-V377 HydrophobicContact CB-CB 3.88Å; A367-V377 HydrophobicContact CB-CG2 3.91Å; V377-L385 CarbonylContact O-C 3.24Å; V377-L385 WeakPolarHBondContact O-CA 3.42Å; V377-L385 WeakPolarHBondContact O-CB 3.41Å; V377-L386 HydrophobicContact CG1-CB 3.84Å; V377-L386 PolarHBondContact N-O 3.35Å; V377-L386 PolarHBondContact O-N 3.26Å
378T95.8Very high93.4Very high0 Ų027.9 Ų27.90%013%0.132CC..EExtended strand (participates in β ladder)trans-84.6146.2-179.863.70000112.9W364 S365 S366 P405 M408W364-T378 WeakPolarHBondContact CA-O 3.44Å; S365-T378 WeakPolarHBondContact CB-OG1 3.46Å; S365-T378 PolarHBondContact N-O 3.46Å; S365-T378 PolarHBondContact N-OG1 3.09Å; S366-T378 PolarHBondContact N-OG1 3.37Å; S366-T378 PolarHBondContact O-N 2.97Å; S366-T378 PolarHBondContact O-OG1 2.87Å; T378-P405 VanDerWaalsContact CB-O 3.25Å; T378-P405 WeakPolarHBondContact CB-O 3.45Å; T378-P405 HydrophobicContact CG2-CB 3.83Å; T378-P405 HydrophobicContact CG2-CG 4.32Å; T378-P405 PolarHBondContact OG1-O 3.05Å; T378-P405 VanDerWaalsContact OG1-O 3.11Å; T378-M408 HydrophobicContact CG2-CE 3.55Å; T378-M408 HydrophobicContact CG2-CG 3.63Å; T378-M408 HydrophobicContact CG2-SD 3.39Å; T378-M408 WeakPolarHBondContact CG2-SD 3.35Å
379Q93.6Very high93.3Very high0 Ų028.3 Ų28.30%013%0.134CC..EExtended strand (participates in β ladder)trans-121.788.5169.1-73.6-167.7-41.400109.5M350 W364 L381 Q382 S383 R384 L386M350-Q379 PolarHBondContact O-NE2 3.29Å; M350-Q379 PolarHBondContact O-OE1 2.92Å; W364-Q379 HydrophobicContact CE3-CG 3.67Å; W364-Q379 HydrophobicContact CH2-CG 4.43Å; W364-Q379 HydrophobicContact CZ3-CG 3.48Å; W364-Q379 VanDerWaalsContact CZ3-CG 3.48Å; W364-Q379 VanDerWaalsContact CZ3-NE2 3.31Å; Q379-L381 PolarHBondContact O-N 3.48Å; Q379-Q382 HydrophobicContact CB-CB 4.12Å; Q379-Q382 PolarHBondContact O-N 3.42Å; Q379-Q382 VanDerWaalsContact O-N 3.13Å; Q379-S383 PolarHBondContact O-N 3.39Å; Q379-R384 HydrophobicContact CB-CG 4.14Å; Q379-R384 PolarHBondContact N-O 2.97Å; Q379-L386 HydrophobicContact CG-CD1 4.43Å; Q379-L386 HydrophobicContact CG-CG 4.35Å
380P91.1Very high93.1Very high0 Ų026.5 Ų26.50%012%0.124CC..G310 helixtrans-55.4-46-170.3-25.930.8000114.4S365 Q382 S383 F404 W649S365-P380 VanDerWaalsContact CB-CG 3.44Å; P380-Q382 PolarHBondContact O-N 3.44Å; P380-S383 PolarHBondContact O-N 2.84Å; P380-F404 HydrophobicContact CB-CD1 4.2Å; P380-F404 PolarHBondContact O-N 2.95Å; P380-W649 HydrophobicContact CB-CD2 3.99Å; P380-W649 HydrophobicContact CB-CE3 4Å; P380-W649 HydrophobicContact CB-CH2 3.84Å; P380-W649 HydrophobicContact CB-CZ2 3.77Å; P380-W649 HydrophobicContact CB-CZ3 3.92Å; P380-W649 HydrophobicContact CG-CD2 4.03Å; P380-W649 HydrophobicContact CG-CE3 4.49Å; P380-W649 HydrophobicContact CG-CG 4.39Å; P380-W649 HydrophobicContact CG-CZ2 4.25Å
381L88.5Confident92.7Very high98 Ų9833.4 Ų33.451%0.51316%0.156SC..G310 helixtrans-69.3-21.9-176.1-61.9-177.7000113.1V363 Q379 F404 W649V363-L381 HydrophobicContact CB-CD1 4.02Å; V363-L381 HydrophobicContact CB-CG 4.35Å; V363-L381 HydrophobicContact CG1-CD1 4.32Å; V363-L381 HydrophobicContact CG1-CG 4.37Å; V363-L381 HydrophobicContact CG2-CD1 3.68Å; Q379-L381 PolarHBondContact O-N 3.48Å; L381-F404 HydrophobicContact CD2-CE1 3.95Å; L381-W649 HydrophobicContact CD2-CH2 3.49Å; L381-W649 VanDerWaalsContact CD2-CH2 3.49Å; L381-W649 HydrophobicContact CD2-CZ2 3.77Å; L381-W649 HydrophobicContact CG-CH2 4.21Å; L381-W649 HydrophobicContact CG-CZ2 4.05Å
382Q91Very high92.7Very high55 Ų5529.9 Ų29.926%0.25715%0.153SC..G310 helixtrans-98.1-0.4179.5-67.981.5-4.400112.2Q379 P380 R384Q379-Q382 HydrophobicContact CB-CB 4.12Å; Q379-Q382 PolarHBondContact O-N 3.42Å; Q379-Q382 VanDerWaalsContact O-N 3.13Å; P380-Q382 PolarHBondContact O-N 3.44Å; Q382-R384 HydrophobicContact CB-CG 3.81Å; Q382-R384 PolarHBondContact O-N 2.94Å
383S93.7Very high93.2Very high39 Ų3926.8 Ų26.827%0.27314%0.139SC..THydrogen-bonded Turntrans51.442.8-178.4-52.10000112.7Q379 P380 T401 P403Q379-S383 PolarHBondContact O-N 3.39Å; P380-S383 PolarHBondContact O-N 2.84Å; S383-T401 VanDerWaalsContact C-OG1 3.29Å; S383-T401 PolarHBondContact O-N 2.85Å; S383-T401 PolarHBondContact O-OG1 2.94Å; S383-P403 WeakPolarHBondContact OG-CA 3.37Å
384R95.4Very high93.4Very high20 Ų2028.6 Ų28.68%0.07515%0.147CC..EExtended strand (participates in β ladder)trans-148.9170.1-177.974-174.2-172.5176.30.2111.4E348 E349 M350 Q379 Q382 V399 T401E348-R384 IonicContact OE2-NH1 3.01Å; E348-R384 PolarHBondContact OE2-NH1 2.88Å; E349-R384 PolarHBondContact O-NH2 3.15Å; M350-R384 PolarHBondContact O-NH2 2.85Å; Q379-R384 HydrophobicContact CB-CG 4.14Å; Q379-R384 PolarHBondContact N-O 2.97Å; Q382-R384 HydrophobicContact CB-CG 3.81Å; Q382-R384 PolarHBondContact O-N 2.94Å; R384-V399 CarbonylContact C-O 3.52Å; R384-V399 VanDerWaalsContact CA-O 3.3Å; R384-V399 WeakPolarHBondContact CA-O 3.44Å; R384-V399 WeakPolarHBondContact CB-O 3.46Å; R384-T401 PolarHBondContact N-OG1 2.75Å
385L96.4Very high93.4Very high0 Ų028.2 Ų28.20%015%0.146CC..EExtended strand (participates in β ladder)trans-123.6158.9163.661.385.4000110.3Y376 V377 V387 A398 V399 T401 M408 I419 I435Y376-L385 HydrophobicContact CD1-CD1 3.67Å; Y376-L385 HydrophobicContact CE1-CD1 4.23Å; V377-L385 CarbonylContact O-C 3.24Å; V377-L385 WeakPolarHBondContact O-CA 3.42Å; V377-L385 WeakPolarHBondContact O-CB 3.41Å; L385-V387 HydrophobicContact CD1-CG2 4.05Å; L385-A398 CarbonylContact O-C 3.57Å; L385-A398 WeakPolarHBondContact O-CA 3.43Å; L385-V399 HydrophobicContact CD1-CB 3.49Å; L385-V399 VanDerWaalsContact CD1-CB 3.49Å; L385-V399 HydrophobicContact CD1-CG1 4.42Å; L385-V399 HydrophobicContact CD1-CG2 3.61Å; L385-V399 HydrophobicContact CG-CB 3.83Å; L385-V399 HydrophobicContact CG-CG2 4.49Å; L385-V399 PolarHBondContact N-O 2.85Å; L385-V399 PolarHBondContact O-N 3.19Å; L385-T401 HydrophobicContact CD2-CG2 3.69Å; L385-T401 HydrophobicContact CG-CG2 4.06Å; L385-M408 HydrophobicContact CD2-SD 4.33Å; L385-I419 HydrophobicContact CD2-CD1 3.42Å; L385-I419 VanDerWaalsContact CD2-CD1 3.42Å; L385-I419 HydrophobicContact CD2-CG1 4.22Å; L385-I435 HydrophobicContact CD1-CD1 4.07Å; L385-I435 HydrophobicContact CD2-CD1 3.61Å; L385-I435 HydrophobicContact CG-CD1 4.41Å
386L97.5Very high93.4Very high0 Ų029.9 Ų29.90%016%0.156CC..EExtended strand (participates in β ladder)trans-110.6139.4175.4-57.1-174.7000109.7I343 M350 W364 Y376 V377 Q379 V395 Q397 A398I343-L386 HydrophobicContact CD1-CD2 3.71Å; M350-L386 HydrophobicContact CG-CD1 3.51Å; M350-L386 HydrophobicContact SD-CD1 4.15Å; W364-L386 HydrophobicContact CH2-CD1 3.91Å; W364-L386 HydrophobicContact CZ3-CD1 3.76Å; Y376-L386 WeakPolarHBondContact CA-O 3.48Å; V377-L386 HydrophobicContact CG1-CB 3.84Å; V377-L386 PolarHBondContact N-O 3.35Å; V377-L386 PolarHBondContact O-N 3.26Å; Q379-L386 HydrophobicContact CG-CD1 4.43Å; Q379-L386 HydrophobicContact CG-CG 4.35Å; L386-V395 HydrophobicContact CB-CG1 3.89Å; L386-V395 HydrophobicContact CD1-CG1 4.15Å; L386-V395 HydrophobicContact CD2-CG1 4.24Å; L386-V395 HydrophobicContact CG-CG1 4.33Å; L386-Q397 WeakPolarHBondContact CA-O 3.37Å; L386-A398 HydrophobicContact CD2-CB 3.89Å
387V97.5Very high93.4Very high0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-102.6116.6172-173.30000107.7Y374 Y376 L385 V395 V396 Q397 V399 H444Y374-V387 HydrophobicContact CD1-CG1 3.61Å; Y374-V387 HydrophobicContact CE1-CG1 4.24Å; Y374-V387 HydrophobicContact CG-CG1 3.81Å; Y376-V387 HydrophobicContact CD1-CG2 4.01Å; Y376-V387 HydrophobicContact CE1-CG2 3.69Å; Y376-V387 HydrophobicContact CE2-CG1 4.39Å; L385-V387 HydrophobicContact CD1-CG2 4.05Å; V387-V395 CarbonylContact O-C 3.59Å; V387-V395 WeakPolarHBondContact O-CA 3.46Å; V387-V396 HydrophobicContact CB-CG2 3.96Å; V387-V396 HydrophobicContact CG1-CG2 3.79Å; V387-V396 WeakPolarHBondContact O-CG2 3.12Å; V387-V396 PolarHBondContact O-N 3.12Å; V387-Q397 HydrophobicContact CB-CB 4.27Å; V387-Q397 HydrophobicContact CG2-CB 4.34Å; V387-Q397 PolarHBondContact N-O 3.31Å; V387-V399 HydrophobicContact CG2-CG2 3.84Å; V387-H444 HydrophobicContact CG2-CB 4.27Å
388V95.8Very high93.3Very high0 Ų031.7 Ų31.70%017%0.167CC..EExtended strand (participates in β ladder)trans-101.5119.6177.1-171.40000107.7Y316 I323 Y374 I375 I390 K394 V395Y316-V388 HydrophobicContact CE1-CG1 4.31Å; I323-V388 HydrophobicContact CD1-CG2 3.83Å; Y374-V388 CarbonylContact C-O 3.47Å; Y374-V388 VanDerWaalsContact CA-O 3.25Å; Y374-V388 WeakPolarHBondContact CA-O 3.23Å; I375-V388 HydrophobicContact CB-CB 4.2Å; I375-V388 PolarHBondContact N-O 3.24Å; I375-V388 PolarHBondContact O-N 2.99Å; V388-I390 PolarHBondContact O-N 3.13Å; V388-K394 CarbonylContact C-O 3.49Å; V388-K394 WeakPolarHBondContact CA-O 3.47Å; V388-V395 HydrophobicContact CG2-CG2 4.41Å
389D93.1Very high93.4Very high27 Ų2731.7 Ų31.714%0.14417%0.167CC..EExtended strand (participates in β ladder)trans-77.6119.7170.4-172.5-56.6000108.8Y374 Q391 A392 Q393 K394 V396Y374-D389 HydrophobicContact CD1-CB 4.22Å; Y374-D389 HydrophobicContact CE1-CB 4.06Å; D389-Q391 PolarHBondContact OD1-N 2.8Å; D389-A392 HydrophobicContact CB-CB 4.01Å; D389-A392 WeakPolarHBondContact OD1-CB 3.5Å; D389-A392 PolarHBondContact OD1-N 3.25Å; D389-Q393 VanDerWaalsContact O-CA 3.24Å; D389-Q393 WeakPolarHBondContact O-CA 3.28Å; D389-Q393 PolarHBondContact O-N 2.79Å; D389-K394 PolarHBondContact N-O 2.65Å; D389-K394 PolarHBondContact O-N 3.01Å; D389-V396 HydrophobicContact CB-CG1 3.55Å; D389-V396 HydrophobicContact CB-CG2 4.37Å
390I90.3Very high93.6Very high1 Ų136.4 Ų36.41%0.00520%0.198CC..THydrogen-bonded Turntrans-66.4-47.6-174.2-69.7167.8000109.7V311 Y316 N369 K373 I375 V388 Q393 V700V311-I390 HydrophobicContact CG1-CG2 3.47Å; V311-I390 VanDerWaalsContact CG1-CG2 3.47Å; Y316-I390 PolarHBondContact OH-O 3.3Å; N369-I390 WeakPolarHBondContact OD1-CD1 3.16Å; K373-I390 WeakPolarHBondContact O-CB 3.5Å; K373-I390 PolarHBondContact O-N 2.88Å; I375-I390 HydrophobicContact CD1-CG1 4.16Å; I375-I390 HydrophobicContact CG1-CD1 3.92Å; I375-I390 HydrophobicContact CG1-CG1 3.82Å; V388-I390 PolarHBondContact O-N 3.13Å; I390-Q393 VanDerWaalsContact O-CG 3.27Å; I390-Q393 WeakPolarHBondContact O-CG 3.35Å; I390-Q393 PolarHBondContact O-N 3.11Å; I390-V700 HydrophobicContact CD1-CG1 3.64Å; I390-V700 HydrophobicContact CD1-CG2 3.99Å; I390-V700 HydrophobicContact CG1-CG1 4.27Å; I390-V700 HydrophobicContact CG1-CG2 4.43Å; I390-V700 HydrophobicContact CG2-CG1 3.76Å
391Q84.9Confident93.8Very high144 Ų14437.2 Ų37.267%0.67320%0.203SC*.THydrogen-bonded Turntrans-69.7-43.6-176.5-65.2-170.9-19.500111.5D389 Q393D389-Q391 PolarHBondContact OD1-N 2.8Å; Q391-Q393 VanDerWaalsContact C-N 3.26Å; Q391-Q393 PolarHBondContact O-N 3.25Å
392A87.6Confident94.1Very high50 Ų5033.6 Ų33.641%0.41318%0.184SC..THydrogen-bonded Turntrans-77.4-13.6178.100000113.1D389 K394D389-A392 HydrophobicContact CB-CB 4.01Å; D389-A392 WeakPolarHBondContact OD1-CB 3.5Å; D389-A392 PolarHBondContact OD1-N 3.25Å; A392-K394 VanDerWaalsContact C-N 3.26Å; A392-K394 HydrophobicContact CB-CB 4.44Å; A392-K394 WeakPolarHBondContact O-CG 3.39Å; A392-K394 PolarHBondContact O-N 2.83Å
393Q89.7Confident94.2Very high47 Ų4733.3 Ų33.322%0.2219%0.187CC..THydrogen-bonded Turntrans46.848.5-172.9-61.7-174.8-14.400112.5R335 L337 D389 I390 Q391R335-Q393 VanDerWaalsContact CB-OE1 3.3Å; R335-Q393 HydrophobicContact CG-CB 4.33Å; L337-Q393 WeakPolarHBondContact CD2-O 3.46Å; D389-Q393 VanDerWaalsContact O-CA 3.24Å; D389-Q393 WeakPolarHBondContact O-CA 3.28Å; D389-Q393 PolarHBondContact O-N 2.79Å; I390-Q393 VanDerWaalsContact O-CG 3.27Å; I390-Q393 WeakPolarHBondContact O-CG 3.35Å; I390-Q393 PolarHBondContact O-N 3.11Å; Q391-Q393 VanDerWaalsContact C-N 3.26Å; Q391-Q393 PolarHBondContact O-N 3.25Å
394K92.4Very high94.1Very high104 Ų10433.3 Ų33.345%0.45218%0.182SC..EExtended strand (participates in β ladder)trans-138.4149.1-176.2-77.7175.4-173.2176.20111.3V344 V388 D389 A392 V396V344-K394 HydrophobicContact CG2-CB 4.41Å; V344-K394 HydrophobicContact CG2-CD 4.41Å; V388-K394 CarbonylContact C-O 3.49Å; V388-K394 WeakPolarHBondContact CA-O 3.47Å; D389-K394 PolarHBondContact N-O 2.65Å; D389-K394 PolarHBondContact O-N 3.01Å; A392-K394 VanDerWaalsContact C-N 3.26Å; A392-K394 HydrophobicContact CB-CB 4.44Å; A392-K394 WeakPolarHBondContact O-CG 3.39Å; A392-K394 PolarHBondContact O-N 2.83Å; K394-V396 PolarHBondContact O-N 3.34Å
395V96.2Very high94.1Very high8 Ų832.3 Ų32.35%0.04818%0.178CC..EExtended strand (participates in β ladder)trans-78.5106.6167.6-171.40000108.8I323 L337 I343 V344 M350 L386 V387 V388I323-V395 HydrophobicContact CD1-CG2 3.98Å; L337-V395 HydrophobicContact CD2-CG2 4.16Å; I343-V395 HydrophobicContact CG1-CB 4.47Å; I343-V395 HydrophobicContact CG1-CG1 3.98Å; I343-V395 HydrophobicContact CG2-CG1 4.18Å; V344-V395 WeakPolarHBondContact CG2-O 3.5Å; V344-V395 PolarHBondContact N-O 3.32Å; M350-V395 HydrophobicContact SD-CG2 3.79Å; L386-V395 HydrophobicContact CB-CG1 3.89Å; L386-V395 HydrophobicContact CD1-CG1 4.15Å; L386-V395 HydrophobicContact CD2-CG1 4.24Å; L386-V395 HydrophobicContact CG-CG1 4.33Å; V387-V395 CarbonylContact O-C 3.59Å; V387-V395 WeakPolarHBondContact O-CA 3.46Å; V388-V395 HydrophobicContact CG2-CG2 4.41Å
396V95.9Very high93.9Very high34 Ų3432.8 Ų32.821%0.20618%0.181CC..EExtended strand (participates in β ladder)trans-83.8-35.8-173.9-68.60000112.3A345 Y374 V387 D389 K394A345-V396 VanDerWaalsContact CB-O 3.24Å; A345-V396 WeakPolarHBondContact CB-O 3.4Å; A345-V396 PolarHBondContact N-O 2.69Å; Y374-V396 HydrophobicContact CE1-CG2 4.25Å; V387-V396 HydrophobicContact CB-CG2 3.96Å; V387-V396 HydrophobicContact CG1-CG2 3.79Å; V387-V396 WeakPolarHBondContact O-CG2 3.12Å; V387-V396 PolarHBondContact O-N 3.12Å; D389-V396 HydrophobicContact CB-CG1 3.55Å; D389-V396 HydrophobicContact CB-CG2 4.37Å; K394-V396 PolarHBondContact O-N 3.34Å
397Q96.7Very high93.7Very high24 Ų2435.5 Ų35.511%0.11219%0.193CC..EExtended strand (participates in β ladder)trans-147.2147.1-174.3-167.6-178.6-9.900112.5L386 V387 V399 H444L386-Q397 WeakPolarHBondContact CA-O 3.37Å; V387-Q397 HydrophobicContact CB-CB 4.27Å; V387-Q397 HydrophobicContact CG2-CB 4.34Å; V387-Q397 PolarHBondContact N-O 3.31Å; Q397-V399 HydrophobicContact CG-CG2 4.17Å; Q397-H444 PolarHBondContact NE2-O 3Å; Q397-H444 PolarHBondContact OE1-CD2 2.99Å; Q397-H444 VanDerWaalsContact OE1-CD2 3.29Å
398A96.8Very high93.6Very high14 Ų1435.7 Ų35.712%0.11619%0.194CC..EExtended strand (participates in β ladder)trans-102.8120.7160.500000108.3I343 L385 L386I343-A398 HydrophobicContact CD1-CB 3.71Å; I343-A398 HydrophobicContact CG2-CB 4.5Å; L385-A398 CarbonylContact O-C 3.57Å; L385-A398 WeakPolarHBondContact O-CA 3.43Å; L386-A398 HydrophobicContact CD2-CB 3.89Å
399V97.2Very high93.7Very high0 Ų038.1 Ų38.10%021%0.206CC..EExtended strand (participates in β ladder)trans-103.2119.9178.8-1750000108.4R384 L385 V387 Q397 I435 H444 A446R384-V399 CarbonylContact C-O 3.52Å; R384-V399 VanDerWaalsContact CA-O 3.3Å; R384-V399 WeakPolarHBondContact CA-O 3.44Å; R384-V399 WeakPolarHBondContact CB-O 3.46Å; L385-V399 HydrophobicContact CD1-CB 3.49Å; L385-V399 VanDerWaalsContact CD1-CB 3.49Å; L385-V399 HydrophobicContact CD1-CG1 4.42Å; L385-V399 HydrophobicContact CD1-CG2 3.61Å; L385-V399 HydrophobicContact CG-CB 3.83Å; L385-V399 HydrophobicContact CG-CG2 4.49Å; L385-V399 PolarHBondContact N-O 2.85Å; L385-V399 PolarHBondContact O-N 3.19Å; V387-V399 HydrophobicContact CG2-CG2 3.84Å; Q397-V399 HydrophobicContact CG-CG2 4.17Å; V399-I435 HydrophobicContact CG1-CD1 4.28Å; V399-H444 HydrophobicContact CG2-CB 3.75Å; V399-A446 HydrophobicContact CG1-CB 4.3Å
400P97Very high93.8Very high99 Ų9939 Ų3964%0.64321%0.208SC*.EExtended strand (participates in β ladder)trans-66.6142.9176.928.4-33.8000110.6
401T96.1Very high94Very high17 Ų1739 Ų3910%0.10421%0.209CC..  trans-130.2175176.766.40000110S383 R384 L385 P405 I419 A446S383-T401 VanDerWaalsContact C-OG1 3.29Å; S383-T401 PolarHBondContact O-N 2.85Å; S383-T401 PolarHBondContact O-OG1 2.94Å; R384-T401 PolarHBondContact N-OG1 2.75Å; L385-T401 HydrophobicContact CD2-CG2 3.69Å; L385-T401 HydrophobicContact CG-CG2 4.06Å; T401-P405 WeakPolarHBondContact OG1-CG 3.38Å; T401-I419 HydrophobicContact CG2-CD1 4.45Å; T401-A446 HydrophobicContact CG2-CB 4.35Å
402D94Very high94.4Very high22 Ų2237.3 Ų37.312%0.11820%0.199CC..SBendtrans-62.5156.3162-70.7-13.7000110P405 T421 Q433 R448D402-P405 WeakPolarHBondContact O-CD 3.3Å; D402-T421 HydrophobicContact CB-CG2 3.86Å; D402-T421 WeakPolarHBondContact CB-OG1 3.05Å; D402-Q433 PolarHBondContact OD1-NE2 2.86Å; D402-R448 IonicContact OD1-CZ 2.72Å; D402-R448 IonicContact OD1-NE 3.11Å; D402-R448 PolarHBondContact OD1-NE 2.89Å; D402-R448 IonicContact OD1-NH2 3.95Å; D402-R448 PolarHBondContact OD1-NH2 2.65Å; D402-R448 IonicContact OD2-CZ 3.81Å; D402-R448 IonicContact OD2-NE 3.13Å; D402-R448 PolarHBondContact OD2-NE 3.17Å; D402-R448 IonicContact OD2-NH2 2.98Å; D402-R448 PolarHBondContact OD2-NH2 2.8Å
403P93.7Very high94.7Very high50 Ų5036.2 Ų36.233%0.32519%0.188SC..SBendtrans-60.9143.5-173.9-23.433000114S383 W422 G423S383-P403 WeakPolarHBondContact OG-CA 3.37Å; P403-W422 PolarHBondContact O-N 3.49Å; P403-G423 WeakPolarHBondContact CB-O 3.43Å; P403-G423 PolarHBondContact O-N 3.06Å; P403-G423 VanDerWaalsContact O-N 3.07Å
404F92.7Very high94.9Very high38 Ų3836 Ų3617%0.16719%0.187CC..  trans56.165.3179.5-55.2-80.4000114.1P380 L381 V406 T421 W422 M425 W649P380-F404 HydrophobicContact CB-CD1 4.2Å; P380-F404 PolarHBondContact O-N 2.95Å; L381-F404 HydrophobicContact CD2-CE1 3.95Å; F404-V406 WeakPolarHBondContact O-CG1 3.32Å; F404-V406 PolarHBondContact O-N 2.86Å; F404-T421 WeakPolarHBondContact O-CA 3.44Å; F404-W422 HydrophobicContact CB-CB 4.26Å; F404-W422 PolarHBondContact O-N 3.04Å; F404-M425 HydrophobicContact CD1-SD 3.92Å; F404-M425 HydrophobicContact CE1-CG 4.01Å; F404-M425 HydrophobicContact CE1-SD 3.44Å; F404-M425 WeakPolarHBondContact CE1-SD 3.21Å; F404-M425 HydrophobicContact CZ-CG 3.87Å; F404-M425 HydrophobicContact CZ-SD 3.94Å; F404-W649 HydrophobicContact CB-CZ3 4.41Å; F404-W649 HydrophobicContact CD1-CE3 4.25Å; F404-W649 AromaticContact CD1-CH2 3.56Å; F404-W649 HydrophobicContact CD1-CH2 3.56Å; F404-W649 AromaticContact CD1-CZ3 3.2Å; F404-W649 HydrophobicContact CD1-CZ3 3.2Å; F404-W649 AromaticContact CE1-CH2 3.7Å; F404-W649 HydrophobicContact CE1-CH2 3.7Å; F404-W649 AromaticContact CE1-CZ3 3.7Å; F404-W649 HydrophobicContact CE1-CZ3 3.7Å; F404-W649 HydrophobicContact CG-CZ3 4.14Å
405P94.6Very high95Very high0 Ų031.7 Ų31.70%017%0.169CC..EExtended strand (participates in β ladder)trans-68111.5167.729.5-38.8000111.5T378 T401 D402 I419 T421T378-P405 VanDerWaalsContact CB-O 3.25Å; T378-P405 WeakPolarHBondContact CB-O 3.45Å; T378-P405 HydrophobicContact CG2-CB 3.83Å; T378-P405 HydrophobicContact CG2-CG 4.32Å; T378-P405 PolarHBondContact OG1-O 3.05Å; T378-P405 VanDerWaalsContact OG1-O 3.11Å; T401-P405 WeakPolarHBondContact OG1-CG 3.38Å; D402-P405 WeakPolarHBondContact O-CD 3.3Å; P405-I419 HydrophobicContact CB-CG2 3.84Å; P405-T421 HydrophobicContact CB-CG2 4.14Å
406V92.3Very high95Very high10 Ų1032 Ų326%0.06117%0.17CC..EExtended strand (participates in β ladder)trans-110.9-29.5-169.8-65.40000115S365 S366 F404 L420 W422 W649S365-V406 WeakPolarHBondContact OG-CA 3.26Å; S365-V406 PolarHBondContact OG-O 3.02Å; S366-V406 WeakPolarHBondContact CB-O 3.27Å; F404-V406 WeakPolarHBondContact O-CG1 3.32Å; F404-V406 PolarHBondContact O-N 2.86Å; V406-L420 HydrophobicContact CG2-CD2 4.33Å; V406-L420 HydrophobicContact CG2-CG 4.33Å; V406-L420 PolarHBondContact N-O 3.44Å; V406-W422 HydrophobicContact CB-CZ2 4.49Å; V406-W422 HydrophobicContact CG1-CD2 3.91Å; V406-W422 HydrophobicContact CG1-CE3 4.08Å; V406-W422 HydrophobicContact CG1-CG 4.42Å; V406-W422 HydrophobicContact CG1-CH2 4.41Å; V406-W422 HydrophobicContact CG1-CZ2 4.22Å; V406-W422 HydrophobicContact CG1-CZ3 4.34Å; V406-W422 HydrophobicContact CG2-CD2 4.18Å; V406-W422 HydrophobicContact CG2-CG 4.3Å; V406-W422 HydrophobicContact CG2-CZ2 4.09Å; V406-W422 VanDerWaalsContact CG2-NE1 3.34Å; V406-W649 HydrophobicContact CB-CB 4.18Å; V406-W649 HydrophobicContact CG1-CB 3.76Å; V406-W649 HydrophobicContact CG1-CD2 4.28Å; V406-W649 HydrophobicContact CG1-CE3 3.88Å; V406-W649 HydrophobicContact CG1-CG 4.25Å
407K94.1Very high95.1Very high57 Ų5730.4 Ų30.425%0.24816%0.16CC..EExtended strand (participates in β ladder)trans-135.2136.5-177.7-176.6-174.3-172.9-174.70109.7L420 D456 F457K407-L420 HydrophobicContact CB-CB 4.08Å; K407-L420 HydrophobicContact CB-CD2 4.29Å; K407-L420 PolarHBondContact O-N 2.91Å; K407-D456 VanDerWaalsContact CD-OD1 3.22Å; K407-D456 WeakPolarHBondContact CD-OD1 3.43Å; K407-D456 WeakPolarHBondContact CE-OD1 3.24Å; K407-D456 VanDerWaalsContact NZ-CG 3.28Å; K407-D456 IonicContact NZ-OD1 2.77Å; K407-D456 PolarHBondContact NZ-OD1 2.97Å; K407-D456 IonicContact NZ-OD2 3.42Å; K407-D456 PolarHBondContact NZ-OD2 2.82Å; K407-D456 VanDerWaalsContact NZ-OD2 3.15Å; K407-F457 HydrophobicContact CB-CE1 4.48Å; K407-F457 HydrophobicContact CD-CD1 4.31Å; K407-F457 HydrophobicContact CD-CE1 3.92Å; K407-F457 HydrophobicContact CG-CE1 4.11Å; K407-F457 PolarHBondContact NZ-O 2.85Å
408M95.4Very high95.2Very high4 Ų429.3 Ų29.32%0.0216%0.155CC..EExtended strand (participates in β ladder)trans-128146.1171-65.6-172.9-57.100111.2S366 V368 Y376 T378 L385 V417 W418 I419S366-M408 VanDerWaalsContact O-CE 3.24Å; S366-M408 WeakPolarHBondContact O-CE 3.47Å; S366-M408 PolarHBondContact OG-N 2.9Å; V368-M408 HydrophobicContact CG1-CB 3.95Å; V368-M408 HydrophobicContact CG2-CB 4.39Å; V368-M408 HydrophobicContact CG2-CE 4.31Å; Y376-M408 VanDerWaalsContact O-CE 3.22Å; Y376-M408 WeakPolarHBondContact O-CE 3.32Å; T378-M408 HydrophobicContact CG2-CE 3.55Å; T378-M408 HydrophobicContact CG2-CG 3.63Å; T378-M408 HydrophobicContact CG2-SD 3.39Å; T378-M408 WeakPolarHBondContact CG2-SD 3.35Å; L385-M408 HydrophobicContact CD2-SD 4.33Å; M408-V417 HydrophobicContact CB-CG1 4.34Å; M408-V417 HydrophobicContact CG-CG1 4.43Å; M408-V417 HydrophobicContact SD-CG1 4.01Å; M408-W418 WeakPolarHBondContact CA-O 3.32Å; M408-I419 HydrophobicContact CG-CB 4.42Å; M408-I419 HydrophobicContact CG-CG1 4Å; M408-I419 HydrophobicContact CG-CG2 4.29Å; M408-I419 HydrophobicContact SD-CG1 4.13Å
409L96.1Very high95.2Very high50 Ų5028.7 Ų28.726%0.26215%0.15SC..EExtended strand (participates in β ladder)trans-132.2138.5167.4-63.7178.7000108.7W418 F457 I459L409-W418 PolarHBondContact N-O 2.83Å; L409-W418 PolarHBondContact O-N 3.37Å; L409-F457 HydrophobicContact CB-CE2 3.81Å; L409-F457 HydrophobicContact CB-CZ 3.92Å; L409-F457 HydrophobicContact CD1-CD2 4.08Å; L409-F457 HydrophobicContact CD1-CE2 3.57Å; L409-F457 HydrophobicContact CD1-CZ 3.91Å; L409-F457 HydrophobicContact CG-CE2 3.83Å; L409-F457 HydrophobicContact CG-CZ 3.74Å; L409-I459 HydrophobicContact CB-CD1 4.13Å; L409-I459 HydrophobicContact CD1-CB 4.29Å; L409-I459 HydrophobicContact CD1-CG1 4.14Å
410Y95.8Very high95.1Very high45 Ų4528.9 Ų28.918%0.17615%0.151CC..EExtended strand (participates in β ladder)trans-94.7121.4172.7176.5-128000109.5V370 R371 K412 D415 Q416 V417 A438V370-Y410 HydrophobicContact CB-CE2 4.44Å; V370-Y410 HydrophobicContact CG1-CD2 4.19Å; V370-Y410 HydrophobicContact CG1-CE1 4.42Å; V370-Y410 HydrophobicContact CG1-CE2 3.69Å; V370-Y410 HydrophobicContact CG2-CD2 3.89Å; V370-Y410 HydrophobicContact CG2-CE2 4.25Å; V370-Y410 HydrophobicContact CG2-CG 4.06Å; R371-Y410 HydrophobicContact CG-CE1 4.37Å; R371-Y410 WeakPolarHBondContact CG-OH 3.33Å; R371-Y410 PolarHBondContact NE-OH 2.84Å; Y410-K412 HydrophobicContact CD1-CB 4.45Å; Y410-K412 HydrophobicContact CE1-CB 3.95Å; Y410-K412 HydrophobicContact CE1-CG 4.23Å; Y410-D415 WeakPolarHBondContact CE2-OD1 3.21Å; Y410-D415 PolarHBondContact OH-OD1 2.82Å; Y410-Q416 VanDerWaalsContact CD2-O 3.31Å; Y410-Q416 WeakPolarHBondContact CD2-O 3.37Å; Y410-V417 HydrophobicContact CD2-CG2 3.9Å; Y410-A438 HydrophobicContact CE2-CB 4.39Å
411D95.4Very high95Very high3 Ų324.2 Ų24.22%0.01612%0.12CC..EExtended strand (participates in β ladder)trans-92.4104.1168172.220.8000109.3S413 H414 D415 Q416 I459D411-S413 VanDerWaalsContact C-N 3.25Å; D411-S413 PolarHBondContact O-N 2.85Å; D411-S413 VanDerWaalsContact OD1-CB 3.24Å; D411-S413 WeakPolarHBondContact OD1-CB 3.36Å; D411-S413 PolarHBondContact OD1-N 2.87Å; D411-S413 PolarHBondContact OD1-OG 2.93Å; D411-H414 IonicContact OD1-ND1 2.81Å; D411-H414 WeakPolarHBondContact OD2-CB 3.49Å; D411-H414 IonicContact OD2-CE1 2.82Å; D411-H414 IonicContact OD2-CG 3.7Å; D411-H414 IonicContact OD2-ND1 2.71Å; D411-H414 PolarHBondContact OD2-ND1 3.44Å; D411-D415 WeakPolarHBondContact O-CA 3.41Å; D411-D415 PolarHBondContact O-N 2.94Å; D411-Q416 HydrophobicContact CB-CB 4.43Å; D411-Q416 PolarHBondContact N-O 3.06Å; D411-Q416 PolarHBondContact O-N 2.71Å; D411-I459 HydrophobicContact CB-CD1 4.22Å
412K91.9Very high94.8Very high108 Ų10824 Ų2447%0.4712%0.118SC..THydrogen-bonded Turntrans-65.6-28.7178.8-171178.1-179.6179.90112.4Y410Y410-K412 HydrophobicContact CD1-CB 4.45Å; Y410-K412 HydrophobicContact CE1-CB 3.95Å; Y410-K412 HydrophobicContact CE1-CG 4.23Å
413S93.9Very high94.4Very high27 Ų2724.1 Ų24.119%0.18912%0.124CC..THydrogen-bonded Turntrans-67.1-46.1-173.4-42.50000111D411 V469D411-S413 VanDerWaalsContact C-N 3.25Å; D411-S413 PolarHBondContact O-N 2.85Å; D411-S413 VanDerWaalsContact OD1-CB 3.24Å; D411-S413 WeakPolarHBondContact OD1-CB 3.36Å; D411-S413 PolarHBondContact OD1-N 2.87Å; D411-S413 PolarHBondContact OD1-OG 2.93Å; S413-V469 PolarHBondContact OG-N 2.7Å
414H94.6Very high94Very high41 Ų4123.9 Ų23.919%0.1912%0.12CC..THydrogen-bonded Turntrans-104.82.5-178.7-52.694000113.7D411 Q416 H468 V469 L487D411-H414 IonicContact OD1-ND1 2.81Å; D411-H414 WeakPolarHBondContact OD2-CB 3.49Å; D411-H414 IonicContact OD2-CE1 2.82Å; D411-H414 IonicContact OD2-CG 3.7Å; D411-H414 IonicContact OD2-ND1 2.71Å; D411-H414 PolarHBondContact OD2-ND1 3.44Å; H414-Q416 HydrophobicContact CB-CG 3.88Å; H414-H468 AromaticContact CE1-CE1 3.74Å; H414-H468 AromaticContact NE2-CE1 3.52Å; H414-H468 AromaticContact NE2-NE2 3.83Å; H414-V469 PolarHBondContact CE1-O 2.73Å; H414-L487 VanDerWaalsContact CE1-CB 3.48Å; H414-L487 WeakPolarHBondContact CE1-CB 3.44Å
415D95.2Very high93.6Very high15 Ų1525.8 Ų25.88%0.0813%0.13CC..THydrogen-bonded Turntrans55.755.1-174.7-167.241.5000113.4R371 Y410 D411 Q437 A438 S439R371-D415 IonicContact NE-OD1 2.65Å; Y410-D415 WeakPolarHBondContact CE2-OD1 3.21Å; Y410-D415 PolarHBondContact OH-OD1 2.82Å; D411-D415 WeakPolarHBondContact O-CA 3.41Å; D411-D415 PolarHBondContact O-N 2.94Å; D415-Q437 WeakPolarHBondContact O-CA 3.37Å; D415-Q437 PolarHBondContact O-N 2.85Å; D415-Q437 VanDerWaalsContact OD2-C 3.23Å; D415-Q437 WeakPolarHBondContact OD2-CA 3.48Å; D415-A438 PolarHBondContact O-N 2.97Å; D415-A438 PolarHBondContact OD2-N 3.04Å; D415-S439 WeakPolarHBondContact OD1-CB 2.9Å; D415-S439 PolarHBondContact OD1-N 2.71Å; D415-S439 PolarHBondContact OD1-OG 2.81Å; D415-S439 WeakPolarHBondContact OD2-CB 2.9Å; D415-S439 PolarHBondContact OD2-N 2.84Å; D415-S439 PolarHBondContact OD2-OG 3.32Å
416Q96.3Very high93.2Very high15 Ų1532.1 Ų32.17%0.0716%0.164CC..EExtended strand (participates in β ladder)trans-127.2138.5-173.8-63.1173.56.200112Y410 D411 H414 V434 I435 L487Y410-Q416 VanDerWaalsContact CD2-O 3.31Å; Y410-Q416 WeakPolarHBondContact CD2-O 3.37Å; D411-Q416 HydrophobicContact CB-CB 4.43Å; D411-Q416 PolarHBondContact N-O 3.06Å; D411-Q416 PolarHBondContact O-N 2.71Å; H414-Q416 HydrophobicContact CB-CG 3.88Å; Q416-V434 HydrophobicContact CB-CG2 3.82Å; Q416-V434 HydrophobicContact CG-CG2 4.17Å; Q416-I435 VanDerWaalsContact CA-O 3.31Å; Q416-I435 WeakPolarHBondContact CA-O 3.27Å; Q416-L487 PolarHBondContact NE2-O 3.28Å; Q416-L487 VanDerWaalsContact NE2-O 3.15Å; Q416-L487 PolarHBondContact OE1-O 2.81Å
417V97.6Very high92.9Very high0 Ų035.9 Ų35.90%018%0.179CC..EExtended strand (participates in β ladder)trans-103.7115.7168.4174.90000109.3V368 V370 Y376 M408 Y410 I419 V434 I435 A438V368-V417 HydrophobicContact CG2-CG1 4.09Å; V368-V417 HydrophobicContact CG2-CG2 4.19Å; V370-V417 HydrophobicContact CG2-CG2 3.61Å; Y376-V417 HydrophobicContact CD2-CG2 4.22Å; Y376-V417 HydrophobicContact CE2-CG2 4.39Å; Y376-V417 HydrophobicContact CG-CG2 4.28Å; M408-V417 HydrophobicContact CB-CG1 4.34Å; M408-V417 HydrophobicContact CG-CG1 4.43Å; M408-V417 HydrophobicContact SD-CG1 4.01Å; Y410-V417 HydrophobicContact CD2-CG2 3.9Å; V417-I419 HydrophobicContact CG1-CG1 4.18Å; V417-V434 CarbonylContact O-C 3.34Å; V417-V434 WeakPolarHBondContact O-CA 3.43Å; V417-I435 HydrophobicContact CB-CB 4.29Å; V417-I435 PolarHBondContact N-O 2.9Å; V417-I435 PolarHBondContact O-N 3.11Å; V417-A438 HydrophobicContact CB-CB 4.42Å; V417-A438 HydrophobicContact CG2-CB 3.67Å
418W97.6Very high92.5Very high1 Ų135.8 Ų35.80%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-93.2134.7178.5-7377.6000110.5M408 L409 L432 V434 T449 F457 I459 I485 L487 F490M408-W418 WeakPolarHBondContact CA-O 3.32Å; L409-W418 PolarHBondContact N-O 2.83Å; L409-W418 PolarHBondContact O-N 3.37Å; W418-L432 HydrophobicContact CE3-CD1 4.18Å; W418-L432 HydrophobicContact CE3-CD2 3.54Å; W418-L432 HydrophobicContact CE3-CG 3.69Å; W418-L432 HydrophobicContact CZ3-CD2 3.48Å; W418-L432 VanDerWaalsContact CZ3-CD2 3.48Å; W418-L432 HydrophobicContact CZ3-CG 3.95Å; W418-V434 HydrophobicContact CD2-CB 4.35Å; W418-V434 HydrophobicContact CD2-CG2 4.15Å; W418-V434 HydrophobicContact CG-CG2 4.34Å; W418-V434 HydrophobicContact CZ2-CG2 4.36Å; W418-T449 HydrophobicContact CH2-CG2 4.43Å; W418-T449 HydrophobicContact CZ3-CG2 3.91Å; W418-F457 HydrophobicContact CB-CD2 4.43Å; W418-F457 HydrophobicContact CB-CE2 3.5Å; W418-F457 VanDerWaalsContact CB-CE2 3.5Å; W418-F457 HydrophobicContact CB-CZ 3.84Å; W418-F457 HydrophobicContact CG-CE2 4.36Å; W418-I459 HydrophobicContact CB-CD1 4.18Å; W418-I459 HydrophobicContact CG-CD1 3.84Å; W418-I485 HydrophobicContact CH2-CD1 3.89Å; W418-I485 HydrophobicContact CZ3-CD1 4.03Å; W418-L487 HydrophobicContact CD2-CD2 4.48Å; W418-L487 HydrophobicContact CH2-CD2 4.23Å; W418-L487 HydrophobicContact CZ2-CD2 3.37Å; W418-F490 AromaticContact CH2-CD1 3.52Å; W418-F490 HydrophobicContact CH2-CD1 3.52Å; W418-F490 AromaticContact CH2-CE1 3.93Å; W418-F490 HydrophobicContact CH2-CE1 3.93Å; W418-F490 HydrophobicContact CH2-CG 4.4Å; W418-F490 AromaticContact CZ2-CD1 3.56Å; W418-F490 HydrophobicContact CZ2-CD1 3.56Å; W418-F490 AromaticContact CZ2-CE1 3.52Å; W418-F490 HydrophobicContact CZ2-CE1 3.52Å
419I97.3Very high92.1Very high0 Ų042.4 Ų42.40%021%0.214CC..EExtended strand (participates in β ladder)trans-130118.7-169.1-52.8154.1000109.4L385 T401 P405 M408 V417 T421 L432 Q433 I435 A446L385-I419 HydrophobicContact CD2-CD1 3.42Å; L385-I419 VanDerWaalsContact CD2-CD1 3.42Å; L385-I419 HydrophobicContact CD2-CG1 4.22Å; T401-I419 HydrophobicContact CG2-CD1 4.45Å; P405-I419 HydrophobicContact CB-CG2 3.84Å; M408-I419 HydrophobicContact CG-CB 4.42Å; M408-I419 HydrophobicContact CG-CG1 4Å; M408-I419 HydrophobicContact CG-CG2 4.29Å; M408-I419 HydrophobicContact SD-CG1 4.13Å; V417-I419 HydrophobicContact CG1-CG1 4.18Å; I419-T421 HydrophobicContact CG2-CG2 4.04Å; I419-L432 WeakPolarHBondContact O-CA 3.39Å; I419-Q433 HydrophobicContact CB-CB 4.37Å; I419-Q433 PolarHBondContact N-O 3.17Å; I419-Q433 PolarHBondContact O-N 2.51Å; I419-I435 HydrophobicContact CD1-CD1 3.91Å; I419-I435 HydrophobicContact CD1-CG1 3.86Å; I419-A446 HydrophobicContact CD1-CB 4.32Å
420L96.1Very high91.9Very high5 Ų540.1 Ų40.13%0.02620%0.203CC..EExtended strand (participates in β ladder)trans-90126.9170.5178.665.2000110.1V406 K407 V454 F457V406-L420 HydrophobicContact CG2-CD2 4.33Å; V406-L420 HydrophobicContact CG2-CG 4.33Å; V406-L420 PolarHBondContact N-O 3.44Å; K407-L420 HydrophobicContact CB-CB 4.08Å; K407-L420 HydrophobicContact CB-CD2 4.29Å; K407-L420 PolarHBondContact O-N 2.91Å; L420-V454 HydrophobicContact CD1-CB 3.99Å; L420-V454 HydrophobicContact CD1-CG1 3.69Å; L420-V454 WeakPolarHBondContact CD1-O 3.16Å; L420-F457 HydrophobicContact CB-CD1 4.03Å; L420-F457 HydrophobicContact CB-CE1 3.78Å
421T94.6Very high91.8Very high0 Ų038.5 Ų38.50%020%0.198CC..EExtended strand (participates in β ladder)trans-119.3154.5176.267.90000110.4D402 F404 P405 I419 P430 A431D402-T421 HydrophobicContact CB-CG2 3.86Å; D402-T421 WeakPolarHBondContact CB-OG1 3.05Å; F404-T421 WeakPolarHBondContact O-CA 3.44Å; P405-T421 HydrophobicContact CB-CG2 4.14Å; I419-T421 HydrophobicContact CG2-CG2 4.04Å; T421-P430 CarbonylContact O-C 3.51Å; T421-P430 WeakPolarHBondContact O-CA 3.24Å; T421-P430 VanDerWaalsContact O-CB 3.24Å; T421-P430 WeakPolarHBondContact O-CB 3.31Å; T421-A431 PolarHBondContact N-O 3.37Å; T421-A431 PolarHBondContact O-N 3.46Å; T421-A431 PolarHBondContact OG1-O 2.88Å
422W91.1Very high91.8Very high14 Ų1438.3 Ų38.35%0.05320%0.198CC..  trans-101.8-18.7-179.5-72.6-8.3000115P403 F404 V406 D424 K427 H429 P648 W649P403-W422 PolarHBondContact O-N 3.49Å; F404-W422 HydrophobicContact CB-CB 4.26Å; F404-W422 PolarHBondContact O-N 3.04Å; V406-W422 HydrophobicContact CB-CZ2 4.49Å; V406-W422 HydrophobicContact CG1-CD2 3.91Å; V406-W422 HydrophobicContact CG1-CE3 4.08Å; V406-W422 HydrophobicContact CG1-CG 4.42Å; V406-W422 HydrophobicContact CG1-CH2 4.41Å; V406-W422 HydrophobicContact CG1-CZ2 4.22Å; V406-W422 HydrophobicContact CG1-CZ3 4.34Å; V406-W422 HydrophobicContact CG2-CD2 4.18Å; V406-W422 HydrophobicContact CG2-CG 4.3Å; V406-W422 HydrophobicContact CG2-CZ2 4.09Å; V406-W422 VanDerWaalsContact CG2-NE1 3.34Å; W422-D424 VanDerWaalsContact CB-O 3.31Å; W422-D424 WeakPolarHBondContact CB-O 3.44Å; W422-D424 PolarHBondContact O-N 3.37Å; W422-K427 HydrophobicContact CD2-CD 3.92Å; W422-K427 HydrophobicContact CD2-CG 3.68Å; W422-K427 HydrophobicContact CE3-CD 4.14Å; W422-K427 HydrophobicContact CE3-CG 3.73Å; W422-K427 HydrophobicContact CG-CB 4.4Å; W422-K427 HydrophobicContact CG-CG 4.07Å; W422-K427 HydrophobicContact CH2-CD 3.96Å; W422-K427 HydrophobicContact CH2-CG 4.42Å; W422-K427 HydrophobicContact CZ2-CD 3.77Å; W422-K427 HydrophobicContact CZ2-CG 4.42Å; W422-K427 HydrophobicContact CZ3-CD 4.16Å; W422-K427 VanDerWaalsContact CZ3-CE 3.47Å; W422-K427 HydrophobicContact CZ3-CG 4.12Å; W422-H429 CarbonylContact O-C 3.57Å; W422-H429 VanDerWaalsContact O-C 3.24Å; W422-H429 PolarHBondContact O-N 2.83Å; W422-P648 WeakPolarHBondContact CH2-O 3.32Å; W422-W649 HydrophobicContact CE3-CE3 4.42Å; W422-W649 HydrophobicContact CH2-CB 4.42Å; W422-W649 WeakPolarHBondContact CH2-O 3.15Å; W422-W649 WeakPolarHBondContact CZ2-O 3.32Å; W422-W649 HydrophobicContact CZ3-CE3 4.1Å
423G85.9Confident92Very high24 Ų2433.6 Ų33.625%0.24718%0.177CC..SBendtrans76.3-41-171.400000113P403P403-G423 WeakPolarHBondContact CB-O 3.43Å; P403-G423 PolarHBondContact O-N 3.06Å; P403-G423 VanDerWaalsContact O-N 3.07Å
424D86.6Confident92.2Very high45 Ų4532.3 Ų32.324%0.24117%0.168CC..SBendtrans-152.5174.7171.56225000113.1W422 D426 K427 T428W422-D424 VanDerWaalsContact CB-O 3.31Å; W422-D424 WeakPolarHBondContact CB-O 3.44Å; W422-D424 PolarHBondContact O-N 3.37Å; D424-D426 PolarHBondContact O-N 2.86Å; D424-D426 VanDerWaalsContact OD1-C 3.27Å; D424-D426 WeakPolarHBondContact OD1-CA 3.4Å; D424-D426 PolarHBondContact OD1-N 3.42Å; D424-D426 VanDerWaalsContact OD1-N 3.11Å; D424-K427 PolarHBondContact O-N 3.05Å; D424-K427 VanDerWaalsContact O-N 3.13Å; D424-K427 PolarHBondContact OD1-N 3.21Å; D424-T428 PolarHBondContact OD1-N 2.93Å; D424-T428 PolarHBondContact OD1-OG1 3.36Å; D424-T428 WeakPolarHBondContact OD2-CB 3.5Å; D424-T428 VanDerWaalsContact OD2-CG2 3.3Å; D424-T428 WeakPolarHBondContact OD2-CG2 3.25Å; D424-T428 PolarHBondContact OD2-OG1 2.86Å
425M83.5Confident92.3Very high78 Ų7830.4 Ų30.438%0.38416%0.159SC..THydrogen-bonded Turntrans-62.6-25.2176.9-69.1-58.7-55.500113.5F404 K427 P648 W649F404-M425 HydrophobicContact CD1-SD 3.92Å; F404-M425 HydrophobicContact CE1-CG 4.01Å; F404-M425 HydrophobicContact CE1-SD 3.44Å; F404-M425 WeakPolarHBondContact CE1-SD 3.21Å; F404-M425 HydrophobicContact CZ-CG 3.87Å; F404-M425 HydrophobicContact CZ-SD 3.94Å; M425-K427 VanDerWaalsContact C-N 3.26Å; M425-P648 HydrophobicContact CE-CB 3.65Å; M425-P648 HydrophobicContact CE-CG 3.68Å; M425-W649 HydrophobicContact CE-CE3 4.43Å; M425-W649 HydrophobicContact CE-CH2 4.11Å; M425-W649 HydrophobicContact CE-CZ3 3.8Å; M425-W649 HydrophobicContact SD-CE3 4.25Å; M425-W649 HydrophobicContact SD-CH2 3.49Å; M425-W649 WeakPolarHBondContact SD-CH2 3.42Å; M425-W649 HydrophobicContact SD-CZ3 3.19Å; M425-W649 WeakPolarHBondContact SD-CZ3 3.09Å
426D86Confident92.3Very high133 Ų13331.8 Ų31.871%0.71117%0.169SC*.THydrogen-bonded Turntrans-86.82.8179.2-66.6-37.1000112.3D424 T428D424-D426 PolarHBondContact O-N 2.86Å; D424-D426 VanDerWaalsContact OD1-C 3.27Å; D424-D426 WeakPolarHBondContact OD1-CA 3.4Å; D424-D426 PolarHBondContact OD1-N 3.42Å; D424-D426 VanDerWaalsContact OD1-N 3.11Å; D426-T428 VanDerWaalsContact C-N 3.27Å; D426-T428 HydrophobicContact CB-CG2 3.85Å; D426-T428 PolarHBondContact O-N 2.81Å
427K86.8Confident92.2Very high88 Ų8837.3 Ų37.338%0.38320%0.195SC..  trans54.841.8178.5-41.5-173.6-166.8-164.60112W422 D424 M425 K477W422-K427 HydrophobicContact CD2-CD 3.92Å; W422-K427 HydrophobicContact CD2-CG 3.68Å; W422-K427 HydrophobicContact CE3-CD 4.14Å; W422-K427 HydrophobicContact CE3-CG 3.73Å; W422-K427 HydrophobicContact CG-CB 4.4Å; W422-K427 HydrophobicContact CG-CG 4.07Å; W422-K427 HydrophobicContact CH2-CD 3.96Å; W422-K427 HydrophobicContact CH2-CG 4.42Å; W422-K427 HydrophobicContact CZ2-CD 3.77Å; W422-K427 HydrophobicContact CZ2-CG 4.42Å; W422-K427 HydrophobicContact CZ3-CD 4.16Å; W422-K427 VanDerWaalsContact CZ3-CE 3.47Å; W422-K427 HydrophobicContact CZ3-CG 4.12Å; D424-K427 PolarHBondContact O-N 3.05Å; D424-K427 VanDerWaalsContact O-N 3.13Å; D424-K427 PolarHBondContact OD1-N 3.21Å; M425-K427 VanDerWaalsContact C-N 3.26Å; K427-K477 PolarHBondContact O-NZ 2.87Å
428T84.7Confident92.1Very high55 Ų5537.3 Ų37.334%0.33720%0.195SC..SBendtrans-77.4-39.4-17463.70000112.4D424 D426 P430D424-T428 PolarHBondContact OD1-N 2.93Å; D424-T428 PolarHBondContact OD1-OG1 3.36Å; D424-T428 WeakPolarHBondContact OD2-CB 3.5Å; D424-T428 VanDerWaalsContact OD2-CG2 3.3Å; D424-T428 WeakPolarHBondContact OD2-CG2 3.25Å; D424-T428 PolarHBondContact OD2-OG1 2.86Å; D426-T428 VanDerWaalsContact C-N 3.27Å; D426-T428 HydrophobicContact CB-CG2 3.85Å; D426-T428 PolarHBondContact O-N 2.81Å; T428-P430 VanDerWaalsContact C-CD 3.44Å; T428-P430 WeakPolarHBondContact O-CD 3.49Å
429H88.1Confident91.9Very high143 Ų14337.7 Ų37.766%0.66220%0.198SC*.SBendtrans-126.757.5-174-58.892.7000112.4W422W422-H429 CarbonylContact O-C 3.57Å; W422-H429 VanDerWaalsContact O-C 3.24Å; W422-H429 PolarHBondContact O-N 2.83Å
430P91.4Very high91.5Very high3 Ų342.1 Ų42.12%0.01922%0.224CC..  trans-74.3139.6-176.435.6-38.3000110.8T421 T428 R453 V454T421-P430 CarbonylContact O-C 3.51Å; T421-P430 WeakPolarHBondContact O-CA 3.24Å; T421-P430 VanDerWaalsContact O-CB 3.24Å; T421-P430 WeakPolarHBondContact O-CB 3.31Å; T428-P430 VanDerWaalsContact C-CD 3.44Å; T428-P430 WeakPolarHBondContact O-CD 3.49Å; P430-R453 WeakPolarHBondContact O-CA 3.19Å; P430-R453 PolarHBondContact O-N 3.34Å; P430-V454 WeakPolarHBondContact CB-O 3.24Å; P430-V454 VanDerWaalsContact CG-O 3.25Å; P430-V454 WeakPolarHBondContact CG-O 3.15Å; P430-V454 PolarHBondContact O-N 2.84Å
431A92.7Very high90.6Very high10 Ų1042.5 Ų42.58%0.08323%0.23CC..EExtended strand (participates in β ladder)trans-139.9164.4-172.400000110.9T421T421-A431 PolarHBondContact N-O 3.37Å; T421-A431 PolarHBondContact O-N 3.46Å; T421-A431 PolarHBondContact OG1-O 2.88Å
432L95.7Very high90Very high0 Ų051.3 Ų51.30%027%0.271CS..EExtended strand (participates in β ladder)trans-117.5130.1-179.9-165.966000109.6W418 I419 T449 F451 V454 F457 V474W418-L432 HydrophobicContact CE3-CD1 4.18Å; W418-L432 HydrophobicContact CE3-CD2 3.54Å; W418-L432 HydrophobicContact CE3-CG 3.69Å; W418-L432 HydrophobicContact CZ3-CD2 3.48Å; W418-L432 VanDerWaalsContact CZ3-CD2 3.48Å; W418-L432 HydrophobicContact CZ3-CG 3.95Å; I419-L432 WeakPolarHBondContact O-CA 3.39Å; L432-T449 WeakPolarHBondContact O-CB 3.29Å; L432-T449 WeakPolarHBondContact O-CG2 3.4Å; L432-T449 PolarHBondContact O-N 3.25Å; L432-T449 PolarHBondContact O-OG1 3.5Å; L432-F451 HydrophobicContact CB-CB 4.43Å; L432-F451 HydrophobicContact CD2-CD2 4.33Å; L432-V454 HydrophobicContact CB-CG2 4.16Å; L432-F457 HydrophobicContact CD1-CD1 3.84Å; L432-F457 HydrophobicContact CD1-CD2 4.36Å; L432-F457 HydrophobicContact CD1-CE1 4.1Å; L432-F457 HydrophobicContact CD1-CG 3.99Å; L432-F457 HydrophobicContact CD1-CZ 4.45Å; L432-V474 HydrophobicContact CD2-CG2 4.08Å
433Q96.6Very high90Very high8 Ų855.7 Ų55.74%0.03730%0.299CS..EExtended strand (participates in β ladder)trans-122.5159176.2-54.4-175.6-80.100109.9D402 I419 A446 V447 R448D402-Q433 PolarHBondContact OD1-NE2 2.86Å; I419-Q433 HydrophobicContact CB-CB 4.37Å; I419-Q433 PolarHBondContact N-O 3.17Å; I419-Q433 PolarHBondContact O-N 2.51Å; Q433-A446 HydrophobicContact CB-CB 4.46Å; Q433-V447 CarbonylContact C-O 3.45Å; Q433-V447 VanDerWaalsContact CA-O 3.23Å; Q433-V447 WeakPolarHBondContact CA-O 3.43Å; Q433-V447 WeakPolarHBondContact CB-O 3.48Å; Q433-R448 HydrophobicContact CG-CB 4.45Å
434V97.1Very high90.5Very high1 Ų154.8 Ų54.81%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-134.9139.3178.966.30000110.4Q416 V417 W418 V447 T449 F490Q416-V434 HydrophobicContact CB-CG2 3.82Å; Q416-V434 HydrophobicContact CG-CG2 4.17Å; V417-V434 CarbonylContact O-C 3.34Å; V417-V434 WeakPolarHBondContact O-CA 3.43Å; W418-V434 HydrophobicContact CD2-CB 4.35Å; W418-V434 HydrophobicContact CD2-CG2 4.15Å; W418-V434 HydrophobicContact CG-CG2 4.34Å; W418-V434 HydrophobicContact CZ2-CG2 4.36Å; V434-V447 HydrophobicContact CG1-CB 4.24Å; V434-V447 PolarHBondContact N-O 2.88Å; V434-V447 PolarHBondContact O-N 2.97Å; V434-T449 HydrophobicContact CB-CG2 4.47Å; V434-T449 HydrophobicContact CG1-CG2 4.22Å; V434-F490 HydrophobicContact CG1-CE1 4.43Å; V434-F490 HydrophobicContact CG1-CE2 4.09Å; V434-F490 HydrophobicContact CG1-CZ 3.92Å; V434-F490 HydrophobicContact CG2-CE1 4.48Å; V434-F490 HydrophobicContact CG2-CZ 4.37Å
435I97.5Very high90.9Very high0 Ų057.7 Ų57.70%030%0.301CS..EExtended strand (participates in β ladder)trans-103.6109.4166-62.1-179.6000107.1Y376 L385 V399 Q416 V417 I419 A438 H444 A446Y376-I435 HydrophobicContact CD1-CD1 3.94Å; Y376-I435 HydrophobicContact CE1-CD1 3.64Å; Y376-I435 HydrophobicContact CE1-CG2 4.25Å; L385-I435 HydrophobicContact CD1-CD1 4.07Å; L385-I435 HydrophobicContact CD2-CD1 3.61Å; L385-I435 HydrophobicContact CG-CD1 4.41Å; V399-I435 HydrophobicContact CG1-CD1 4.28Å; Q416-I435 VanDerWaalsContact CA-O 3.31Å; Q416-I435 WeakPolarHBondContact CA-O 3.27Å; V417-I435 HydrophobicContact CB-CB 4.29Å; V417-I435 PolarHBondContact N-O 2.9Å; V417-I435 PolarHBondContact O-N 3.11Å; I419-I435 HydrophobicContact CD1-CD1 3.91Å; I419-I435 HydrophobicContact CD1-CG1 3.86Å; I435-A438 HydrophobicContact CG2-CB 4.45Å; I435-H444 HydrophobicContact CG2-CB 4.31Å; I435-A446 HydrophobicContact CG1-CB 4.2Å
436P95.1Very high91.5Very high45 Ų4555.1 Ų55.129%0.29229%0.292SS..SBendtrans-76.9159.2174.433-34.6000111.1A438P436-A438 PolarHBondContact O-N 3.29Å
437Q93.8Very high92Very high131 Ų13151.7 Ų51.761%0.61228%0.275SS*.SBendtrans53.839.9176.4-60.1178.8-10.800112.5D415 S439 V440 G441D415-Q437 WeakPolarHBondContact O-CA 3.37Å; D415-Q437 PolarHBondContact O-N 2.85Å; D415-Q437 VanDerWaalsContact OD2-C 3.23Å; D415-Q437 WeakPolarHBondContact OD2-CA 3.48Å; Q437-S439 PolarHBondContact O-N 2.81Å; Q437-S439 VanDerWaalsContact O-N 3.13Å; Q437-V440 HydrophobicContact CB-CG2 3.92Å; Q437-V440 PolarHBondContact O-N 2.84Å; Q437-G441 PolarHBondContact O-N 2.74Å
438A95.5Very high92.3Very high0 Ų054.7 Ų54.70%028%0.284CS..THydrogen-bonded Turntrans-61.9-26.4-167.400000113.3V370 Y374 Y376 Y410 D415 V417 I435 P436V370-A438 HydrophobicContact CG1-CB 3.94Å; Y374-A438 WeakPolarHBondContact CD2-O 3.35Å; Y376-A438 HydrophobicContact CE2-CB 4.34Å; Y376-A438 WeakPolarHBondContact OH-CA 3.2Å; Y376-A438 PolarHBondContact OH-O 2.83Å; Y410-A438 HydrophobicContact CE2-CB 4.39Å; D415-A438 PolarHBondContact O-N 2.97Å; D415-A438 PolarHBondContact OD2-N 3.04Å; V417-A438 HydrophobicContact CB-CB 4.42Å; V417-A438 HydrophobicContact CG2-CB 3.67Å; I435-A438 HydrophobicContact CG2-CB 4.45Å; P436-A438 PolarHBondContact O-N 3.29Å
439S93.4Very high92.7Very high8 Ų852.8 Ų52.86%0.05627%0.273CS..THydrogen-bonded Turntrans-93.2-19.3-179.371.60000114.8R371 K373 D415 Q437R371-S439 VanDerWaalsContact CD-CB 3.47Å; R371-S439 WeakPolarHBondContact CD-OG 3.37Å; R371-S439 PolarHBondContact NE-OG 3.35Å; K373-S439 WeakPolarHBondContact CD-O 3.34Å; K373-S439 PolarHBondContact NZ-O 2.88Å; D415-S439 WeakPolarHBondContact OD1-CB 2.9Å; D415-S439 PolarHBondContact OD1-N 2.71Å; D415-S439 PolarHBondContact OD1-OG 2.81Å; D415-S439 WeakPolarHBondContact OD2-CB 2.9Å; D415-S439 PolarHBondContact OD2-N 2.84Å; D415-S439 PolarHBondContact OD2-OG 3.32Å; Q437-S439 PolarHBondContact O-N 2.81Å; Q437-S439 VanDerWaalsContact O-N 3.13Å
440V88.9Confident92.9Very high93 Ų9351 Ų5156%0.56427%0.272SS*.THydrogen-bonded Turntrans-116.7-20-171.2-65.80000114.4Q437Q437-V440 HydrophobicContact CB-CG2 3.92Å; Q437-V440 PolarHBondContact O-N 2.84Å
441G78.3Confident93Very high14 Ų1451.9 Ų51.914%0.14428%0.276CS..  trans-61.1142.217900000113.2Q437 H444Q437-G441 PolarHBondContact O-N 2.74Å; G441-H444 PolarHBondContact O-CE1 2.82Å; G441-H444 PolarHBondContact O-NE2 3.18Å
442E81.9Confident92.9Very high184 Ų18458.2 Ų58.286%0.8630%0.303SS*.SBendtrans-81.8-28.5166.8-65.9-173.9169.900111.7
443V90.4Very high92.8Very high106 Ų10663.7 Ų63.764%0.64232%0.324SS*.SBendtrans-130123.4177.7-176.80000108.8
444H95.8Very high92.7Very high5 Ų563.3 Ų63.32%0.02332%0.322CS..  trans-101.2140.6-175.4-52.8-77.3000110.6Y374 Y376 V387 Q397 V399 I435 G441Y374-H444 AromaticContact CD2-CE1 3.95Å; Y374-H444 AromaticContact CE2-CE1 3.64Å; Y374-H444 AromaticContact CE2-NE2 3.62Å; Y374-H444 AromaticContact CZ-NE2 3.83Å; Y376-H444 HydrophobicContact CE1-CB 4.44Å; Y376-H444 AromaticContact CZ-ND1 3.96Å; Y376-H444 PolarHBondContact OH-CE1 3.37Å; Y376-H444 PolarHBondContact OH-ND1 3.12Å; V387-H444 HydrophobicContact CG2-CB 4.27Å; Q397-H444 PolarHBondContact NE2-O 3Å; Q397-H444 PolarHBondContact OE1-CD2 2.99Å; Q397-H444 VanDerWaalsContact OE1-CD2 3.29Å; V399-H444 HydrophobicContact CG2-CB 3.75Å; I435-H444 HydrophobicContact CG2-CB 4.31Å; G441-H444 PolarHBondContact O-CE1 2.82Å; G441-H444 PolarHBondContact O-NE2 3.18Å
445H96.2Very high92.5Very high107 Ų10765.4 Ų65.450%0.49534%0.335SS..  trans-145.1137.1179.359.8-80.1000110.4
446A96.6Very high92.3Very high24 Ų2466.7 Ų66.720%0.19834%0.342CS..PPolyproline II helixtrans-83.4125.8175.800000110.1V399 T401 I419 Q433 I435V399-A446 HydrophobicContact CG1-CB 4.3Å; T401-A446 HydrophobicContact CG2-CB 4.35Å; I419-A446 HydrophobicContact CD1-CB 4.32Å; Q433-A446 HydrophobicContact CB-CB 4.46Å; I435-A446 HydrophobicContact CG1-CB 4.2Å
447V95.4Very high92.4Very high61 Ų6164.7 Ų64.737%0.3733%0.328SS..EExtended strand (participates in β ladder)trans-103126175.6-176.40000108.4Q433 V434Q433-V447 CarbonylContact C-O 3.45Å; Q433-V447 VanDerWaalsContact CA-O 3.23Å; Q433-V447 WeakPolarHBondContact CA-O 3.43Å; Q433-V447 WeakPolarHBondContact CB-O 3.48Å; V434-V447 HydrophobicContact CG1-CB 4.24Å; V434-V447 PolarHBondContact N-O 2.88Å; V434-V447 PolarHBondContact O-N 2.97Å
448R92.9Very high92.5Very high151 Ų15159.9 Ų59.957%0.5731%0.306SS*.EExtended strand (participates in β ladder)trans-73.9131.1176.6-174.3-177.1-82.4175-8110D402 Q433D402-R448 IonicContact OD1-CZ 2.72Å; D402-R448 IonicContact OD1-NE 3.11Å; D402-R448 PolarHBondContact OD1-NE 2.89Å; D402-R448 IonicContact OD1-NH2 3.95Å; D402-R448 PolarHBondContact OD1-NH2 2.65Å; D402-R448 IonicContact OD2-CZ 3.81Å; D402-R448 IonicContact OD2-NE 3.13Å; D402-R448 PolarHBondContact OD2-NE 3.17Å; D402-R448 IonicContact OD2-NH2 2.98Å; D402-R448 PolarHBondContact OD2-NH2 2.8Å; Q433-R448 HydrophobicContact CG-CB 4.45Å
449T94.1Very high92.6Very high15 Ų1560.7 Ų60.79%0.09231%0.31CS..EExtended strand (participates in β ladder)trans-83.1173.2174.573.50000111.3W418 L432 V434 F451W418-T449 HydrophobicContact CH2-CG2 4.43Å; W418-T449 HydrophobicContact CZ3-CG2 3.91Å; L432-T449 WeakPolarHBondContact O-CB 3.29Å; L432-T449 WeakPolarHBondContact O-CG2 3.4Å; L432-T449 PolarHBondContact O-N 3.25Å; L432-T449 PolarHBondContact O-OG1 3.5Å; V434-T449 HydrophobicContact CB-CG2 4.47Å; V434-T449 HydrophobicContact CG1-CG2 4.22Å; T449-F451 VanDerWaalsContact C-N 3.25Å; T449-F451 PolarHBondContact O-N 2.86Å; T449-F451 PolarHBondContact OG1-N 3Å
450T92.4Very high92.6Very high105 Ų10560.8 Ų60.864%0.64431%0.31SS*.EExtended strand (participates in β ladder)trans-77.5-8.6175.154.30000113.7Q452T450-Q452 PolarHBondContact O-N 2.97Å
451F92.4Very high92.6Very high22 Ų2260 Ų6010%0.09631%0.307CS..EExtended strand (participates in β ladder)trans-81.1119.7-176-56.3-71.5000111.3L432 T449 V454 I485 F490 R492L432-F451 HydrophobicContact CB-CB 4.43Å; L432-F451 HydrophobicContact CD2-CD2 4.33Å; T449-F451 VanDerWaalsContact C-N 3.25Å; T449-F451 PolarHBondContact O-N 2.86Å; T449-F451 PolarHBondContact OG1-N 3Å; F451-V454 HydrophobicContact CB-CG2 3.76Å; F451-I485 HydrophobicContact CD1-CG2 4.47Å; F451-I485 HydrophobicContact CD2-CD1 4.5Å; F451-I485 HydrophobicContact CE1-CG2 3.57Å; F451-I485 HydrophobicContact CE2-CB 4.35Å; F451-I485 HydrophobicContact CE2-CD1 3.88Å; F451-I485 HydrophobicContact CE2-CG2 4.05Å; F451-I485 HydrophobicContact CZ-CB 3.88Å; F451-I485 HydrophobicContact CZ-CD1 4.26Å; F451-I485 HydrophobicContact CZ-CG2 3.32Å; F451-F490 WeakPolarHBondContact CE2-O 3.33Å; F451-F490 VanDerWaalsContact CZ-O 3.22Å; F451-F490 WeakPolarHBondContact CZ-O 3.42Å; F451-R492 HydrophobicContact CE1-CB 4.23Å
452Q90.4Very high92.9Very high142 Ų14261.8 Ų61.866%0.66432%0.315SS*.EExtended strand (participates in β ladder)trans-117.9161.6176.7-62.5-171.9-9.100110.6T450 V454 L476T450-Q452 PolarHBondContact O-N 2.97Å; Q452-V454 PolarHBondContact O-N 2.78Å; Q452-L476 WeakPolarHBondContact O-CD2 3.04Å
453R93.9Very high92.7Very high116 Ų11655 Ų5544%0.43829%0.285SS..SBendtrans62.127-176.9-59166.954.6-143.7-8.7112.6P430 T455 L476 K477 E479P430-R453 WeakPolarHBondContact O-CA 3.19Å; P430-R453 PolarHBondContact O-N 3.34Å; R453-T455 PolarHBondContact O-N 2.95Å; R453-L476 CarbonylContact O-C 3.57Å; R453-L476 WeakPolarHBondContact O-CA 3.39Å; R453-K477 HydrophobicContact CB-CB 4.23Å; R453-K477 PolarHBondContact NH2-O 2.83Å; R453-K477 PolarHBondContact O-N 2.84Å; R453-E479 IonicContact CZ-OE1 3.45Å; R453-E479 VanDerWaalsContact CZ-OE1 3.25Å; R453-E479 IonicContact NH1-OE1 3.55Å; R453-E479 PolarHBondContact NH1-OE1 2.87Å; R453-E479 IonicContact NH2-OE1 3.14Å; R453-E479 PolarHBondContact NH2-OE1 2.81Å
454V94.4Very high91.7Very high0 Ų052.9 Ų52.90%027%0.269CS..EExtended strand (participates in β ladder)trans-72.7117.6-178.7-178.80000109.7L420 P430 L432 F451 Q452 D456 V474 F475 L476L420-V454 HydrophobicContact CD1-CB 3.99Å; L420-V454 HydrophobicContact CD1-CG1 3.69Å; L420-V454 WeakPolarHBondContact CD1-O 3.16Å; P430-V454 WeakPolarHBondContact CB-O 3.24Å; P430-V454 VanDerWaalsContact CG-O 3.25Å; P430-V454 WeakPolarHBondContact CG-O 3.15Å; P430-V454 PolarHBondContact O-N 2.84Å; L432-V454 HydrophobicContact CB-CG2 4.16Å; F451-V454 HydrophobicContact CB-CG2 3.76Å; Q452-V454 PolarHBondContact O-N 2.78Å; V454-D456 WeakPolarHBondContact CG1-O 3.32Å; V454-V474 HydrophobicContact CB-CG1 4.21Å; V454-V474 HydrophobicContact CG1-CG1 3.69Å; V454-V474 HydrophobicContact CG2-CG1 3.62Å; V454-F475 CarbonylContact C-O 3.37Å; V454-F475 WeakPolarHBondContact CA-O 3.18Å; V454-L476 HydrophobicContact CG2-CD2 3.99Å
455T92.8Very high90.7Very high44 Ų4454 Ų5427%0.2728%0.275SS..EExtended strand (participates in β ladder)trans-90-33.8176.546.80000112.6R453 F475 K477R453-T455 PolarHBondContact O-N 2.95Å; T455-F475 PolarHBondContact N-O 2.93Å; T455-F475 PolarHBondContact OG1-O 3.29Å; T455-K477 VanDerWaalsContact CG2-CA 3.48Å; T455-K477 HydrophobicContact CG2-CB 3.62Å; T455-K477 HydrophobicContact CG2-CG 3.99Å
456D94.6Very high89.8Confident28 Ų2850.3 Ų50.315%0.1526%0.259CS..EExtended strand (participates in β ladder)trans-158167171.7-160.615.7000110K407 V454 F475K407-D456 VanDerWaalsContact CD-OD1 3.22Å; K407-D456 WeakPolarHBondContact CD-OD1 3.43Å; K407-D456 WeakPolarHBondContact CE-OD1 3.24Å; K407-D456 VanDerWaalsContact NZ-CG 3.28Å; K407-D456 IonicContact NZ-OD1 2.77Å; K407-D456 PolarHBondContact NZ-OD1 2.97Å; K407-D456 IonicContact NZ-OD2 3.42Å; K407-D456 PolarHBondContact NZ-OD2 2.82Å; K407-D456 VanDerWaalsContact NZ-OD2 3.15Å; V454-D456 WeakPolarHBondContact CG1-O 3.32Å; D456-F475 HydrophobicContact CB-CD2 3.78Å; D456-F475 HydrophobicContact CB-CE2 4.28Å; D456-F475 PolarHBondContact O-N 2.87Å
457F96.4Very high89.1Confident2 Ų254.4 Ų54.41%0.00928%0.282CS..EExtended strand (participates in β ladder)trans-143.8155.8174.175.8-72.6000110.8K407 L409 W418 L420 L432 I459 F473 V474K407-F457 HydrophobicContact CB-CE1 4.48Å; K407-F457 HydrophobicContact CD-CD1 4.31Å; K407-F457 HydrophobicContact CD-CE1 3.92Å; K407-F457 HydrophobicContact CG-CE1 4.11Å; K407-F457 PolarHBondContact NZ-O 2.85Å; L409-F457 HydrophobicContact CB-CE2 3.81Å; L409-F457 HydrophobicContact CB-CZ 3.92Å; L409-F457 HydrophobicContact CD1-CD2 4.08Å; L409-F457 HydrophobicContact CD1-CE2 3.57Å; L409-F457 HydrophobicContact CD1-CZ 3.91Å; L409-F457 HydrophobicContact CG-CE2 3.83Å; L409-F457 HydrophobicContact CG-CZ 3.74Å; W418-F457 HydrophobicContact CB-CD2 4.43Å; W418-F457 HydrophobicContact CB-CE2 3.5Å; W418-F457 VanDerWaalsContact CB-CE2 3.5Å; W418-F457 HydrophobicContact CB-CZ 3.84Å; W418-F457 HydrophobicContact CG-CE2 4.36Å; L420-F457 HydrophobicContact CB-CD1 4.03Å; L420-F457 HydrophobicContact CB-CE1 3.78Å; L432-F457 HydrophobicContact CD1-CD1 3.84Å; L432-F457 HydrophobicContact CD1-CD2 4.36Å; L432-F457 HydrophobicContact CD1-CE1 4.1Å; L432-F457 HydrophobicContact CD1-CG 3.99Å; L432-F457 HydrophobicContact CD1-CZ 4.45Å; F457-I459 HydrophobicContact CD2-CD1 4.43Å; F457-I459 HydrophobicContact CD2-CG1 4.14Å; F457-I459 HydrophobicContact CE2-CD1 4.04Å; F457-I459 HydrophobicContact CE2-CG1 4.15Å; F457-F473 CarbonylContact C-O 3.49Å; F457-F473 WeakPolarHBondContact CA-O 3.37Å; F457-F473 WeakPolarHBondContact CB-O 3.17Å; F457-V474 HydrophobicContact CB-CG2 4.47Å
458F96.9Very high88.7Confident30 Ų3056.5 Ų56.513%0.13229%0.287CS..EExtended strand (participates in β ladder)trans-135.3130.7-178.2178-103.4000110.1P460 A472 F473 F475 M508F458-P460 HydrophobicContact CD1-CG 4.4Å; F458-P460 HydrophobicContact CE1-CB 4.26Å; F458-P460 HydrophobicContact CE1-CG 3.92Å; F458-A472 CarbonylContact O-C 3.55Å; F458-A472 WeakPolarHBondContact O-CA 3.46Å; F458-A472 WeakPolarHBondContact O-CB 3.49Å; F458-F473 HydrophobicContact CB-CB 4.44Å; F458-F473 HydrophobicContact CD1-CD2 4.03Å; F458-F473 PolarHBondContact N-O 3.09Å; F458-F473 PolarHBondContact O-N 2.84Å; F458-F475 HydrophobicContact CB-CZ 4.35Å; F458-M508 HydrophobicContact CB-CB 4.2Å; F458-M508 HydrophobicContact CB-SD 4.25Å; F458-M508 HydrophobicContact CD1-CB 4.31Å; F458-M508 HydrophobicContact CD1-CG 3.8Å; F458-M508 HydrophobicContact CD1-SD 3.41Å; F458-M508 WeakPolarHBondContact CD1-SD 3.41Å; F458-M508 HydrophobicContact CD2-CB 4.43Å; F458-M508 WeakPolarHBondContact CD2-O 3.3Å; F458-M508 HydrophobicContact CE1-CG 4.1Å; F458-M508 HydrophobicContact CE1-SD 4.01Å; F458-M508 WeakPolarHBondContact CE2-O 3.2Å; F458-M508 HydrophobicContact CG-CB 4.06Å; F458-M508 HydrophobicContact CG-CG 4.06Å; F458-M508 HydrophobicContact CG-SD 4.02Å
459I96.2Very high88.5Confident17 Ų1749.7 Ų49.79%0.08726%0.262CS..  trans-115.7119170.9-55-176.1000105.5L409 D411 W418 F457 V469 A472 L487L409-I459 HydrophobicContact CB-CD1 4.13Å; L409-I459 HydrophobicContact CD1-CB 4.29Å; L409-I459 HydrophobicContact CD1-CG1 4.14Å; D411-I459 HydrophobicContact CB-CD1 4.22Å; W418-I459 HydrophobicContact CB-CD1 4.18Å; W418-I459 HydrophobicContact CG-CD1 3.84Å; F457-I459 HydrophobicContact CD2-CD1 4.43Å; F457-I459 HydrophobicContact CD2-CG1 4.14Å; F457-I459 HydrophobicContact CE2-CD1 4.04Å; F457-I459 HydrophobicContact CE2-CG1 4.15Å; I459-V469 HydrophobicContact CG2-CG1 4.27Å; I459-A472 HydrophobicContact CG1-CB 3.85Å; I459-L487 HydrophobicContact CD1-CD2 4.33Å; I459-L487 HydrophobicContact CG2-CD1 4.14Å
460P93.2Very high88.4Confident11 Ų1153.7 Ų53.77%0.07128%0.276CS..PPolyproline II helixtrans-52.2138.1174-25.633.5000111F458 V469 F471 F473 Y510F458-P460 HydrophobicContact CD1-CG 4.4Å; F458-P460 HydrophobicContact CE1-CB 4.26Å; F458-P460 HydrophobicContact CE1-CG 3.92Å; P460-V469 HydrophobicContact CB-CG1 4.1Å; P460-V469 HydrophobicContact CB-CG2 4.42Å; P460-V469 HydrophobicContact CG-CG1 4.14Å; P460-V469 WeakPolarHBondContact O-CG2 3.32Å; P460-F471 VanDerWaalsContact CD-O 3.27Å; P460-F471 WeakPolarHBondContact CD-O 3.31Å; P460-F473 HydrophobicContact CG-CD2 4.45Å; P460-F473 HydrophobicContact CG-CE2 4.05Å; P460-Y510 HydrophobicContact CB-CD1 4.01Å; P460-Y510 HydrophobicContact CB-CE1 4.38Å
461P88.5Confident88.5Confident76 Ų7650.6 Ų50.649%0.49425%0.254SS..PPolyproline II helixtrans-70.1144.217729.1-34.1000110.7
462T85.6Confident88.7Confident51 Ų5149.7 Ų49.731%0.31325%0.25SC..PPolyproline II helixtrans-76148.8165.853.60000110.4I466 V469T462-I466 CarbonylContact C-O 3.55Å; T462-I466 WeakPolarHBondContact CA-O 3.26Å; T462-I466 WeakPolarHBondContact CB-O 3.32Å; T462-V469 HydrophobicContact CG2-CG2 3.73Å
463N78.1Confident89.1Confident43 Ų4342.9 Ų42.923%0.2322%0.218CC..  trans-147.7-165.617264.831000110.5I465 I466 H512N463-I465 PolarHBondContact O-N 3.16Å; N463-I465 WeakPolarHBondContact OD1-CA 3.33Å; N463-I465 PolarHBondContact OD1-N 2.92Å; N463-I466 PolarHBondContact N-O 3.14Å; N463-I466 CarbonylContact O-C 3.57Å; N463-I466 VanDerWaalsContact O-C 3.29Å; N463-I466 VanDerWaalsContact O-O 3.13Å; N463-I466 PolarHBondContact OD1-N 2.72Å; N463-H512 PolarHBondContact ND2-CE1 3.22Å; N463-H512 VanDerWaalsContact ND2-CG 3.27Å; N463-H512 PolarHBondContact ND2-ND1 2.9Å; N463-H512 PolarHBondContact ND2-NE2 3.2Å
464L68.6Low89.2Confident60 Ų6037.4 Ų37.431%0.31420%0.198SC..SBendtrans-58.2-34.8178.4-75.3177.6000114.3V203 L205 D226V203-L464 HydrophobicContact CB-CD1 3.97Å; V203-L464 HydrophobicContact CB-CD2 3.98Å; V203-L464 HydrophobicContact CG1-CD1 4.44Å; V203-L464 HydrophobicContact CG1-CD2 3.61Å; V203-L464 HydrophobicContact CG2-CD2 4.42Å; L205-L464 HydrophobicContact CD1-CD1 3.8Å; L205-L464 HydrophobicContact CD1-CG 4.48Å; L205-L464 HydrophobicContact CD2-CD1 3.63Å; L205-L464 HydrophobicContact CD2-CD2 3.49Å; L205-L464 VanDerWaalsContact CD2-CD2 3.49Å; L205-L464 HydrophobicContact CD2-CG 3.66Å; L205-L464 HydrophobicContact CG-CD1 3.81Å; L205-L464 HydrophobicContact CG-CG 4.4Å; D226-L464 HydrophobicContact CB-CD1 3.7Å
465I74.3Confident89.3Confident28 Ų2837.4 Ų37.414%0.14420%0.198CC..SBendtrans-91.7-44.2-175.4-62.6150.6000109.8V123 T174 V200 N463 T467 H512V123-I465 HydrophobicContact CG2-CG2 4.37Å; T174-I465 HydrophobicContact CG2-CD1 3.78Å; T174-I465 HydrophobicContact CG2-CG1 4.39Å; T174-I465 HydrophobicContact CG2-CG2 4Å; V200-I465 HydrophobicContact CG1-CD1 4.49Å; V200-I465 HydrophobicContact CG1-CG1 4.02Å; V200-I465 HydrophobicContact CG2-CD1 4.09Å; V200-I465 HydrophobicContact CG2-CG1 4.09Å; N463-I465 PolarHBondContact O-N 3.16Å; N463-I465 WeakPolarHBondContact OD1-CA 3.33Å; N463-I465 PolarHBondContact OD1-N 2.92Å; I465-T467 PolarHBondContact O-N 2.86Å; I465-H512 WeakPolarHBondContact CD1-NE2 3.48Å
466I78.8Confident89.4Confident30 Ų3036.2 Ų36.215%0.15419%0.19CC..  trans-98.779.9176.6-53.2-179.3000108.2T462 N463 H468 V469 Y510 H512T462-I466 CarbonylContact C-O 3.55Å; T462-I466 WeakPolarHBondContact CA-O 3.26Å; T462-I466 WeakPolarHBondContact CB-O 3.32Å; N463-I466 PolarHBondContact N-O 3.14Å; N463-I466 CarbonylContact O-C 3.57Å; N463-I466 VanDerWaalsContact O-C 3.29Å; N463-I466 VanDerWaalsContact O-O 3.13Å; N463-I466 PolarHBondContact OD1-N 2.72Å; I466-H468 VanDerWaalsContact C-N 3.27Å; I466-H468 PolarHBondContact O-N 2.8Å; I466-V469 HydrophobicContact CG2-CG2 3.78Å; I466-Y510 HydrophobicContact CD1-CE1 3.68Å; I466-H512 HydrophobicContact CD1-CB 3.41Å; I466-H512 VanDerWaalsContact CD1-CB 3.41Å; I466-H512 HydrophobicContact CG1-CB 4.17Å
467T80.6Confident89.3Confident110 Ų11037.9 Ų37.968%0.67520%0.196SC*.  trans-77.1-16.6179.356.50000113.1I465I465-T467 PolarHBondContact O-N 2.86Å
468H86.8Confident89.1Confident105 Ų10543.1 Ų43.149%0.48622%0.224SC..  trans-141.2128.5179.8-171.1-77.3000110.7H414 I466H414-H468 AromaticContact CE1-CE1 3.74Å; H414-H468 AromaticContact NE2-CE1 3.52Å; H414-H468 AromaticContact NE2-NE2 3.83Å; I466-H468 VanDerWaalsContact C-N 3.27Å; I466-H468 PolarHBondContact O-N 2.8Å
469V90.3Very high89Confident8 Ų844.1 Ų44.15%0.04823%0.228CC..  trans-109.6119.8179174.90000108.7S413 H414 I459 P460 T462 I466 F471 L487S413-V469 PolarHBondContact OG-N 2.7Å; H414-V469 PolarHBondContact CE1-O 2.73Å; I459-V469 HydrophobicContact CG2-CG1 4.27Å; P460-V469 HydrophobicContact CB-CG1 4.1Å; P460-V469 HydrophobicContact CB-CG2 4.42Å; P460-V469 HydrophobicContact CG-CG1 4.14Å; P460-V469 WeakPolarHBondContact O-CG2 3.32Å; T462-V469 HydrophobicContact CG2-CG2 3.73Å; I466-V469 HydrophobicContact CG2-CG2 3.78Å; V469-F471 WeakPolarHBondContact CG1-O 2.76Å; V469-L487 HydrophobicContact CG1-CD1 4.12Å
470R91.4Very high89Confident99 Ų9945.4 Ų45.437%0.37424%0.238SC..  trans-89.7-32.9-179.6-178.8177.6173-178.47.2113.6E156 D486 L487E156-R470 IonicContact OE1-CZ 2.69Å; E156-R470 IonicContact OE1-NH1 3.75Å; E156-R470 PolarHBondContact OE1-NH1 2.77Å; E156-R470 IonicContact OE2-NH1 3.87Å; E156-R470 PolarHBondContact OE2-NH1 3.44Å; R470-D486 IonicContact CZ-OD2 3.5Å; R470-D486 IonicContact NE-OD2 2.8Å; R470-D486 PolarHBondContact NE-OD2 2.95Å; R470-D486 VanDerWaalsContact NE-OD2 3.15Å; R470-D486 IonicContact NH2-OD2 3.82Å; R470-L487 WeakPolarHBondContact O-CB 3.48Å; R470-L487 PolarHBondContact O-N 2.94Å
471F94.5Very high89.2Confident41 Ų4145.3 Ų45.318%0.1824%0.238CC..EExtended strand (participates in β ladder)trans-118.2143.8-169-55.3-65.5000112.2P460 V469 K484 I485 D486 V493P460-F471 VanDerWaalsContact CD-O 3.27Å; P460-F471 WeakPolarHBondContact CD-O 3.31Å; V469-F471 WeakPolarHBondContact CG1-O 2.76Å; F471-K484 HydrophobicContact CB-CG 3.98Å; F471-K484 HydrophobicContact CD1-CG 4.29Å; F471-K484 HydrophobicContact CG-CD 4.39Å; F471-K484 VanDerWaalsContact CG-CE 3.5Å; F471-K484 HydrophobicContact CG-CG 4.16Å; F471-I485 CarbonylContact C-O 3.56Å; F471-I485 VanDerWaalsContact CA-O 3.22Å; F471-I485 WeakPolarHBondContact CA-O 3.28Å; F471-D486 HydrophobicContact CD1-CB 4.27Å; F471-D486 HydrophobicContact CE1-CB 4.28Å; F471-V493 HydrophobicContact CD1-CG2 4.28Å; F471-V493 HydrophobicContact CE1-CG2 4.02Å
472A96.7Very high89.6Confident2 Ų241.7 Ų41.72%0.01722%0.215CC..EExtended strand (participates in β ladder)trans-121172.4166.900000110.4F458 I459 K484 I485 L487F458-A472 CarbonylContact O-C 3.55Å; F458-A472 WeakPolarHBondContact O-CA 3.46Å; F458-A472 WeakPolarHBondContact O-CB 3.49Å; I459-A472 HydrophobicContact CG1-CB 3.85Å; A472-K484 CarbonylContact O-C 3.52Å; A472-K484 WeakPolarHBondContact O-CA 3.19Å; A472-I485 HydrophobicContact CB-CD1 4.11Å; A472-I485 HydrophobicContact CB-CG1 3.79Å; A472-I485 PolarHBondContact N-O 3.08Å; A472-I485 WeakPolarHBondContact O-CG1 3.44Å; A472-I485 PolarHBondContact O-N 3.37Å; A472-L487 HydrophobicContact CB-CD1 4.17Å; A472-L487 HydrophobicContact CB-CD2 3.55Å; A472-L487 HydrophobicContact CB-CG 3.87Å
473F97.8Very high90.2Very high0 Ų039.6 Ų39.60%020%0.202CC..EExtended strand (participates in β ladder)trans-128.5132.8-176.1-60.9-87.3000110.3F457 F458 P460 F475 V482 H483 K484 I496 M508 Y517F457-F473 CarbonylContact C-O 3.49Å; F457-F473 WeakPolarHBondContact CA-O 3.37Å; F457-F473 WeakPolarHBondContact CB-O 3.17Å; F458-F473 HydrophobicContact CB-CB 4.44Å; F458-F473 HydrophobicContact CD1-CD2 4.03Å; F458-F473 PolarHBondContact N-O 3.09Å; F458-F473 PolarHBondContact O-N 2.84Å; P460-F473 HydrophobicContact CG-CD2 4.45Å; P460-F473 HydrophobicContact CG-CE2 4.05Å; F473-F475 HydrophobicContact CB-CE1 4.24Å; F473-V482 HydrophobicContact CB-CG1 3.76Å; F473-V482 HydrophobicContact CD1-CG1 3.59Å; F473-V482 HydrophobicContact CG-CG1 4.08Å; F473-H483 CarbonylContact C-O 3.58Å; F473-H483 VanDerWaalsContact CA-O 3.32Å; F473-H483 WeakPolarHBondContact CA-O 3.2Å; F473-K484 HydrophobicContact CD1-CB 4.05Å; F473-K484 HydrophobicContact CD1-CG 4.32Å; F473-K484 HydrophobicContact CE1-CB 3.82Å; F473-K484 HydrophobicContact CE1-CD 4.07Å; F473-K484 HydrophobicContact CE1-CG 3.76Å; F473-K484 HydrophobicContact CZ-CD 4.36Å; F473-K484 HydrophobicContact CZ-CG 4.21Å; F473-I496 HydrophobicContact CE1-CD1 4.29Å; F473-M508 HydrophobicContact CB-CE 4.47Å; F473-M508 HydrophobicContact CB-SD 4.11Å; F473-M508 HydrophobicContact CD2-SD 3.98Å; F473-M508 HydrophobicContact CG-CE 4.35Å; F473-M508 HydrophobicContact CG-SD 3.99Å; F473-Y517 HydrophobicContact CE1-CE2 4.4Å; F473-Y517 AromaticContact CE2-CE1 3.86Å; F473-Y517 HydrophobicContact CE2-CE1 3.86Å; F473-Y517 HydrophobicContact CE2-CE2 4.33Å; F473-Y517 AromaticContact CE2-CZ 3.66Å; F473-Y517 HydrophobicContact CZ-CE1 4.09Å; F473-Y517 AromaticContact CZ-CE2 3.71Å; F473-Y517 HydrophobicContact CZ-CE2 3.71Å; F473-Y517 AromaticContact CZ-CZ 3.46Å; F473-Y517 VanDerWaalsContact CZ-CZ 3.46Å; F473-Y517 WeakPolarHBondContact CZ-OH 3.36Å
474V97.4Very high91Very high1 Ų138.6 Ų38.61%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-119.1134.7-178.1-1800000109.4L432 V454 F457 L476 H483 I485L432-V474 HydrophobicContact CD2-CG2 4.08Å; V454-V474 HydrophobicContact CB-CG1 4.21Å; V454-V474 HydrophobicContact CG1-CG1 3.69Å; V454-V474 HydrophobicContact CG2-CG1 3.62Å; F457-V474 HydrophobicContact CB-CG2 4.47Å; V474-L476 HydrophobicContact CG1-CD2 3.87Å; V474-H483 PolarHBondContact N-O 2.69Å; V474-H483 PolarHBondContact O-N 3.01Å; V474-I485 HydrophobicContact CG2-CD1 3.63Å; V474-I485 HydrophobicContact CG2-CG1 4.07Å; V474-I485 HydrophobicContact CG2-CG2 3.94Å
475F96.4Very high92.4Very high0 Ų035.8 Ų35.80%018%0.18CC..EExtended strand (participates in β ladder)trans-107.4131.3176.9-51.7-18.3000109.4V454 T455 D456 F458 F473 V482 P505 M508V454-F475 CarbonylContact C-O 3.37Å; V454-F475 WeakPolarHBondContact CA-O 3.18Å; T455-F475 PolarHBondContact N-O 2.93Å; T455-F475 PolarHBondContact OG1-O 3.29Å; D456-F475 HydrophobicContact CB-CD2 3.78Å; D456-F475 HydrophobicContact CB-CE2 4.28Å; D456-F475 PolarHBondContact O-N 2.87Å; F458-F475 HydrophobicContact CB-CZ 4.35Å; F473-F475 HydrophobicContact CB-CE1 4.24Å; F475-V482 HydrophobicContact CD1-CB 4.42Å; F475-V482 HydrophobicContact CD1-CG1 4.1Å; F475-V482 HydrophobicContact CD1-CG2 3.9Å; F475-V482 HydrophobicContact CE1-CB 4.37Å; F475-V482 HydrophobicContact CE1-CG1 3.77Å; F475-V482 HydrophobicContact CE1-CG2 3.79Å; F475-P505 HydrophobicContact CB-CG 3.94Å; F475-P505 HydrophobicContact CD1-CB 4.09Å; F475-P505 HydrophobicContact CD1-CG 3.93Å; F475-P505 HydrophobicContact CD2-CB 3.99Å; F475-P505 HydrophobicContact CD2-CG 4.3Å; F475-P505 HydrophobicContact CE1-CB 4.45Å; F475-P505 HydrophobicContact CE2-CB 4.36Å; F475-P505 HydrophobicContact CG-CB 3.92Å; F475-P505 HydrophobicContact CG-CG 3.77Å; F475-M508 HydrophobicContact CE1-CE 4.27Å; F475-M508 HydrophobicContact CE2-CB 4.33Å; F475-M508 HydrophobicContact CZ-CB 3.6Å; F475-M508 HydrophobicContact CZ-CE 4.43Å; F475-M508 HydrophobicContact CZ-SD 4.49Å
476L94.9Very high93.4Very high19 Ų1934.9 Ų34.910%0.09918%0.176CC..EExtended strand (participates in β ladder)trans-107.3144.4-177.6-58.3-175000111.6Q452 R453 V454 V474 N478 E479 H483Q452-L476 WeakPolarHBondContact O-CD2 3.04Å; R453-L476 CarbonylContact O-C 3.57Å; R453-L476 WeakPolarHBondContact O-CA 3.39Å; V454-L476 HydrophobicContact CG2-CD2 3.99Å; V474-L476 HydrophobicContact CG1-CD2 3.87Å; L476-N478 PolarHBondContact O-N 2.93Å; L476-E479 HydrophobicContact CB-CB 4.08Å; L476-E479 HydrophobicContact CB-CG 4.03Å; L476-E479 PolarHBondContact O-N 3.35Å; L476-E479 VanDerWaalsContact O-N 3.08Å; L476-H483 WeakPolarHBondContact CD1-NE2 3.48Å
477K92.2Very high94.1Very high63 Ų6333.5 Ų33.527%0.27417%0.169SC..THydrogen-bonded Turntrans-56.5120.8-176.3-169174.1-174.8171.80111.2K427 R453 T455 E479K427-K477 PolarHBondContact O-NZ 2.87Å; R453-K477 HydrophobicContact CB-CB 4.23Å; R453-K477 PolarHBondContact NH2-O 2.83Å; R453-K477 PolarHBondContact O-N 2.84Å; T455-K477 VanDerWaalsContact CG2-CA 3.48Å; T455-K477 HydrophobicContact CG2-CB 3.62Å; T455-K477 HydrophobicContact CG2-CG 3.99Å; K477-E479 PolarHBondContact O-N 2.8Å
478N91.3Very high94.7Very high112 Ų11235 Ų3560%0.59917%0.168SC*.THydrogen-bonded Turntrans62.422179.5-54.9-27.5000114.8L476L476-N478 PolarHBondContact O-N 2.93Å
479E95.4Very high95.1Very high50 Ų5033.4 Ų33.423%0.23417%0.166CC..  trans-106.8124.7177.8-61.6-167.1-169.300110.4R453 L476 K477 A481 H483 P505R453-E479 IonicContact CZ-OE1 3.45Å; R453-E479 VanDerWaalsContact CZ-OE1 3.25Å; R453-E479 IonicContact NH1-OE1 3.55Å; R453-E479 PolarHBondContact NH1-OE1 2.87Å; R453-E479 IonicContact NH2-OE1 3.14Å; R453-E479 PolarHBondContact NH2-OE1 2.81Å; L476-E479 HydrophobicContact CB-CB 4.08Å; L476-E479 HydrophobicContact CB-CG 4.03Å; L476-E479 PolarHBondContact O-N 3.35Å; L476-E479 VanDerWaalsContact O-N 3.08Å; K477-E479 PolarHBondContact O-N 2.8Å; E479-A481 PolarHBondContact O-N 3.2Å; E479-H483 IonicContact OE2-NE2 3.95Å; E479-P505 WeakPolarHBondContact O-CD 3.04Å
480P96.1Very high95.2Very high44 Ų4435.6 Ų35.629%0.28618%0.175SC..SBendtrans-83.261178.735.5-35.8000110.3L498 K499 C503P480-L498 CarbonylContact O-C 3.58Å; P480-L498 VanDerWaalsContact O-CA 3.31Å; P480-L498 WeakPolarHBondContact O-CA 3.43Å; P480-L498 WeakPolarHBondContact O-CB 3.17Å; P480-L498 PolarHBondContact O-N 3.49Å; P480-K499 HydrophobicContact CG-CB 4.18Å; P480-K499 HydrophobicContact CG-CG 4.38Å; P480-K499 PolarHBondContact O-N 2.98Å; P480-C503 WeakPolarHBondContact CA-O 3.44Å; P480-C503 VanDerWaalsContact CB-O 3.27Å; P480-C503 WeakPolarHBondContact CB-O 3.25Å
481A96.9Very high95.3Very high10 Ų1036.4 Ų36.48%0.08318%0.183CC..EExtended strand (participates in β ladder)trans-155.7154-177.600000111.6E479 T495 I496 P505E479-A481 PolarHBondContact O-N 3.2Å; A481-T495 HydrophobicContact CB-CG2 3.81Å; A481-I496 VanDerWaalsContact CA-O 3.27Å; A481-I496 WeakPolarHBondContact CA-O 3.24Å; A481-P505 WeakPolarHBondContact O-CG 3.47Å
482V97.6Very high95.4Very high0 Ų041.2 Ų41.20%020%0.199CC..EExtended strand (participates in β ladder)trans-110.8132.9167.2175.30000108.8F473 F475 I496 L498 P505 M508 I519F473-V482 HydrophobicContact CB-CG1 3.76Å; F473-V482 HydrophobicContact CD1-CG1 3.59Å; F473-V482 HydrophobicContact CG-CG1 4.08Å; F475-V482 HydrophobicContact CD1-CB 4.42Å; F475-V482 HydrophobicContact CD1-CG1 4.1Å; F475-V482 HydrophobicContact CD1-CG2 3.9Å; F475-V482 HydrophobicContact CE1-CB 4.37Å; F475-V482 HydrophobicContact CE1-CG1 3.77Å; F475-V482 HydrophobicContact CE1-CG2 3.79Å; V482-I496 HydrophobicContact CB-CB 4.48Å; V482-I496 PolarHBondContact N-O 3.11Å; V482-I496 PolarHBondContact O-N 3.38Å; V482-L498 HydrophobicContact CG2-CD1 4.05Å; V482-P505 HydrophobicContact CG2-CB 4.06Å; V482-P505 HydrophobicContact CG2-CG 3.99Å; V482-M508 HydrophobicContact CG1-CE 3.89Å; V482-M508 HydrophobicContact CG2-CE 4.16Å; V482-I519 HydrophobicContact CG2-CD1 3.87Å
483H97.4Very high95.2Very high7 Ų745.1 Ų45.13%0.03222%0.223CC..EExtended strand (participates in β ladder)trans-105.2114.6179.5-56.4-76.5000110.3F473 V474 L476 E479 R492 T495F473-H483 CarbonylContact C-O 3.58Å; F473-H483 VanDerWaalsContact CA-O 3.32Å; F473-H483 WeakPolarHBondContact CA-O 3.2Å; V474-H483 PolarHBondContact N-O 2.69Å; V474-H483 PolarHBondContact O-N 3.01Å; L476-H483 WeakPolarHBondContact CD1-NE2 3.48Å; E479-H483 IonicContact OE2-NE2 3.95Å; H483-R492 HydrophobicContact CB-CG 4.21Å; H483-R492 WeakPolarHBondContact ND1-CD 3.36Å; H483-R492 PolarHBondContact ND1-NH1 3.28Å; H483-T495 VanDerWaalsContact CE1-CG2 3.47Å; H483-T495 WeakPolarHBondContact CE1-CG2 3.36Å; H483-T495 WeakPolarHBondContact ND1-CG2 3.41Å; H483-T495 PolarHBondContact ND1-OG1 2.98Å
484K96.5Very high95Very high22 Ų2248.6 Ų48.610%0.09624%0.238CC..EExtended strand (participates in β ladder)trans-77.2123.4172.8-171.3173.4-177.1170.20108.4F471 A472 F473 V493 K494 D540F471-K484 HydrophobicContact CB-CG 3.98Å; F471-K484 HydrophobicContact CD1-CG 4.29Å; F471-K484 HydrophobicContact CG-CD 4.39Å; F471-K484 VanDerWaalsContact CG-CE 3.5Å; F471-K484 HydrophobicContact CG-CG 4.16Å; A472-K484 CarbonylContact O-C 3.52Å; A472-K484 WeakPolarHBondContact O-CA 3.19Å; F473-K484 HydrophobicContact CD1-CB 4.05Å; F473-K484 HydrophobicContact CD1-CG 4.32Å; F473-K484 HydrophobicContact CE1-CB 3.82Å; F473-K484 HydrophobicContact CE1-CD 4.07Å; F473-K484 HydrophobicContact CE1-CG 3.76Å; F473-K484 HydrophobicContact CZ-CD 4.36Å; F473-K484 HydrophobicContact CZ-CG 4.21Å; K484-V493 PolarHBondContact O-N 2.02Å; K484-K494 HydrophobicContact CB-CB 4.17Å; K484-K494 PolarHBondContact N-O 2.84Å; K484-K494 PolarHBondContact O-N 2.8Å; K484-D540 VanDerWaalsContact NZ-CG 3.29Å; K484-D540 IonicContact NZ-OD1 3.38Å; K484-D540 PolarHBondContact NZ-OD1 2.9Å; K484-D540 IonicContact NZ-OD2 3.12Å; K484-D540 PolarHBondContact NZ-OD2 2.77Å
485I96.4Very high95Very high1 Ų151.6 Ų51.61%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-119.1146.2-178.767.2161.5000109.2W418 F451 F471 A472 V474 H491 R492W418-I485 HydrophobicContact CH2-CD1 3.89Å; W418-I485 HydrophobicContact CZ3-CD1 4.03Å; F451-I485 HydrophobicContact CD1-CG2 4.47Å; F451-I485 HydrophobicContact CD2-CD1 4.5Å; F451-I485 HydrophobicContact CE1-CG2 3.57Å; F451-I485 HydrophobicContact CE2-CB 4.35Å; F451-I485 HydrophobicContact CE2-CD1 3.88Å; F451-I485 HydrophobicContact CE2-CG2 4.05Å; F451-I485 HydrophobicContact CZ-CB 3.88Å; F451-I485 HydrophobicContact CZ-CD1 4.26Å; F451-I485 HydrophobicContact CZ-CG2 3.32Å; F471-I485 CarbonylContact C-O 3.56Å; F471-I485 VanDerWaalsContact CA-O 3.22Å; F471-I485 WeakPolarHBondContact CA-O 3.28Å; A472-I485 HydrophobicContact CB-CD1 4.11Å; A472-I485 HydrophobicContact CB-CG1 3.79Å; A472-I485 PolarHBondContact N-O 3.08Å; A472-I485 WeakPolarHBondContact O-CG1 3.44Å; A472-I485 PolarHBondContact O-N 3.37Å; V474-I485 HydrophobicContact CG2-CD1 3.63Å; V474-I485 HydrophobicContact CG2-CG1 4.07Å; V474-I485 HydrophobicContact CG2-CG2 3.94Å; I485-H491 VanDerWaalsContact CA-O 3.32Å; I485-H491 WeakPolarHBondContact CA-O 3.36Å; I485-R492 HydrophobicContact CG2-CB 4.49Å
486D95.2Very high95Very high9 Ų952 Ų525%0.04826%0.259CS..EExtended strand (participates in β ladder)trans-88.1126.1173.6-178.8-66.4000108.8R470 F471 E488 T489 F490 H491 V493R470-D486 IonicContact CZ-OD2 3.5Å; R470-D486 IonicContact NE-OD2 2.8Å; R470-D486 PolarHBondContact NE-OD2 2.95Å; R470-D486 VanDerWaalsContact NE-OD2 3.15Å; R470-D486 IonicContact NH2-OD2 3.82Å; F471-D486 HydrophobicContact CD1-CB 4.27Å; F471-D486 HydrophobicContact CE1-CB 4.28Å; D486-E488 VanDerWaalsContact C-N 3.28Å; D486-E488 PolarHBondContact O-N 3.44Å; D486-E488 WeakPolarHBondContact OD1-CA 3.43Å; D486-E488 WeakPolarHBondContact OD1-CB 3.3Å; D486-E488 PolarHBondContact OD1-N 2.94Å; D486-T489 WeakPolarHBondContact CB-OG1 3.5Å; D486-T489 PolarHBondContact OD1-N 3.09Å; D486-T489 PolarHBondContact OD1-OG1 2.79Å; D486-F490 VanDerWaalsContact O-CA 3.26Å; D486-F490 WeakPolarHBondContact O-CA 3.46Å; D486-F490 PolarHBondContact O-N 3.43Å; D486-H491 PolarHBondContact N-O 3.2Å; D486-V493 HydrophobicContact CB-CG2 3.57Å
487L95.3Very high95Very high0 Ų054.4 Ų54.40%028%0.277CS..THydrogen-bonded Turntrans-75.3-15.6-174.4-74.1168.2000113.2H414 Q416 W418 I459 V469 R470 A472 F490H414-L487 VanDerWaalsContact CE1-CB 3.48Å; H414-L487 WeakPolarHBondContact CE1-CB 3.44Å; Q416-L487 PolarHBondContact NE2-O 3.28Å; Q416-L487 VanDerWaalsContact NE2-O 3.15Å; Q416-L487 PolarHBondContact OE1-O 2.81Å; W418-L487 HydrophobicContact CD2-CD2 4.48Å; W418-L487 HydrophobicContact CH2-CD2 4.23Å; W418-L487 HydrophobicContact CZ2-CD2 3.37Å; I459-L487 HydrophobicContact CD1-CD2 4.33Å; I459-L487 HydrophobicContact CG2-CD1 4.14Å; V469-L487 HydrophobicContact CG1-CD1 4.12Å; R470-L487 WeakPolarHBondContact O-CB 3.48Å; R470-L487 PolarHBondContact O-N 2.94Å; A472-L487 HydrophobicContact CB-CD1 4.17Å; A472-L487 HydrophobicContact CB-CD2 3.55Å; A472-L487 HydrophobicContact CB-CG 3.87Å; L487-F490 WeakPolarHBondContact O-CD1 3.35Å; L487-F490 WeakPolarHBondContact O-CE1 3.46Å
488E93.3Very high95.2Very high141 Ų14151.4 Ų51.466%0.65926%0.264SS*.THydrogen-bonded Turntrans-87.8-45.4176.6-172.9176.3-174.800110.6D486D486-E488 VanDerWaalsContact C-N 3.28Å; D486-E488 PolarHBondContact O-N 3.44Å; D486-E488 WeakPolarHBondContact OD1-CA 3.43Å; D486-E488 WeakPolarHBondContact OD1-CB 3.3Å; D486-E488 PolarHBondContact OD1-N 2.94Å
489T93.9Very high95.4Very high72 Ų7253.2 Ų53.244%0.44227%0.267SS..THydrogen-bonded Turntrans-92.6-12.4-175.864.10000114.3D486 H491D486-T489 WeakPolarHBondContact CB-OG1 3.5Å; D486-T489 PolarHBondContact OD1-N 3.09Å; D486-T489 PolarHBondContact OD1-OG1 2.79Å; T489-H491 PolarHBondContact O-CD2 2.9Å; T489-H491 VanDerWaalsContact O-CD2 3.27Å; T489-H491 PolarHBondContact O-N 2.85Å; T489-H491 VanDerWaalsContact O-N 3.16Å
490F93.4Very high95.2Very high55 Ų5557.9 Ų57.924%0.24129%0.293CS..  trans56.124.4-173.6-49.1-40.1000114.2W418 V434 F451 D486 L487W418-F490 AromaticContact CH2-CD1 3.52Å; W418-F490 HydrophobicContact CH2-CD1 3.52Å; W418-F490 AromaticContact CH2-CE1 3.93Å; W418-F490 HydrophobicContact CH2-CE1 3.93Å; W418-F490 HydrophobicContact CH2-CG 4.4Å; W418-F490 AromaticContact CZ2-CD1 3.56Å; W418-F490 HydrophobicContact CZ2-CD1 3.56Å; W418-F490 AromaticContact CZ2-CE1 3.52Å; W418-F490 HydrophobicContact CZ2-CE1 3.52Å; V434-F490 HydrophobicContact CG1-CE1 4.43Å; V434-F490 HydrophobicContact CG1-CE2 4.09Å; V434-F490 HydrophobicContact CG1-CZ 3.92Å; V434-F490 HydrophobicContact CG2-CE1 4.48Å; V434-F490 HydrophobicContact CG2-CZ 4.37Å; F451-F490 WeakPolarHBondContact CE2-O 3.33Å; F451-F490 VanDerWaalsContact CZ-O 3.22Å; F451-F490 WeakPolarHBondContact CZ-O 3.42Å; D486-F490 VanDerWaalsContact O-CA 3.26Å; D486-F490 WeakPolarHBondContact O-CA 3.46Å; D486-F490 PolarHBondContact O-N 3.43Å; L487-F490 WeakPolarHBondContact O-CD1 3.35Å; L487-F490 WeakPolarHBondContact O-CE1 3.46Å
491H93.7Very high95Very high116 Ų11660.1 Ų60.154%0.53730%0.297SS..  trans-107.7150.9179.9-72.8-49.7000112.1I485 D486 T489 V493I485-H491 VanDerWaalsContact CA-O 3.32Å; I485-H491 WeakPolarHBondContact CA-O 3.36Å; D486-H491 PolarHBondContact N-O 3.2Å; T489-H491 PolarHBondContact O-CD2 2.9Å; T489-H491 VanDerWaalsContact O-CD2 3.27Å; T489-H491 PolarHBondContact O-N 2.85Å; T489-H491 VanDerWaalsContact O-N 3.16Å; H491-V493 PolarHBondContact O-N 2.8Å
492R95Very high94.8Very high141 Ų14162.9 Ų62.953%0.53232%0.316SS..EExtended strand (participates in β ladder)trans-74.4120.2174.8-175.7171.964.4-170.1-1.3109.6F451 H483 I485F451-R492 HydrophobicContact CE1-CB 4.23Å; H483-R492 HydrophobicContact CB-CG 4.21Å; H483-R492 WeakPolarHBondContact ND1-CD 3.36Å; H483-R492 PolarHBondContact ND1-NH1 3.28Å; I485-R492 HydrophobicContact CG2-CB 4.49Å
493V93.9Very high94.6Very high84 Ų8463 Ų6351%0.50932%0.316SS..EExtended strand (participates in β ladder)trans-88.2-48.5178.9-177.70000110.5F471 K484 D486 H491F471-V493 HydrophobicContact CD1-CG2 4.28Å; F471-V493 HydrophobicContact CE1-CG2 4.02Å; K484-V493 PolarHBondContact O-N 2.02Å; D486-V493 HydrophobicContact CB-CG2 3.57Å; H491-V493 PolarHBondContact O-N 2.8Å
494K93.6Very high94.5Very high73 Ų7364.7 Ų64.732%0.31733%0.325SS..EExtended strand (participates in β ladder)trans-146.1153.4-172.8-165.1169176.2179.80111.1K484 T539 D540K484-K494 HydrophobicContact CB-CB 4.17Å; K484-K494 PolarHBondContact N-O 2.84Å; K484-K494 PolarHBondContact O-N 2.8Å; K494-T539 PolarHBondContact NZ-O 2.62Å; K494-T539 VanDerWaalsContact NZ-O 3.12Å; K494-D540 HydrophobicContact CD-CB 4.09Å; K494-D540 WeakPolarHBondContact CD-OD2 3.37Å; K494-D540 IonicContact NZ-OD2 3.15Å; K494-D540 PolarHBondContact NZ-OD2 2.05Å
495T96.4Very high94.5Very high65 Ų6563.7 Ų63.740%0.39932%0.321SS..EExtended strand (participates in β ladder)trans-121.1118.5172.2-62.20000109A481 H483A481-T495 HydrophobicContact CB-CG2 3.81Å; H483-T495 VanDerWaalsContact CE1-CG2 3.47Å; H483-T495 WeakPolarHBondContact CE1-CG2 3.36Å; H483-T495 WeakPolarHBondContact ND1-CG2 3.41Å; H483-T495 PolarHBondContact ND1-OG1 2.98Å
496I96.4Very high94.3Very high8 Ų865.3 Ų65.34%0.04133%0.334CS..EExtended strand (participates in β ladder)trans-91.2108.1176.4-55170.9000107F473 A481 V482 L498 V535 D540 V542F473-I496 HydrophobicContact CE1-CD1 4.29Å; A481-I496 VanDerWaalsContact CA-O 3.27Å; A481-I496 WeakPolarHBondContact CA-O 3.24Å; V482-I496 HydrophobicContact CB-CB 4.48Å; V482-I496 PolarHBondContact N-O 3.11Å; V482-I496 PolarHBondContact O-N 3.38Å; I496-L498 HydrophobicContact CG2-CD2 4.33Å; I496-V535 HydrophobicContact CD1-CG1 4.3Å; I496-V535 HydrophobicContact CG2-CG1 4.3Å; I496-D540 HydrophobicContact CD1-CB 3.84Å; I496-D540 HydrophobicContact CG1-CB 4.06Å; I496-V542 HydrophobicContact CG2-CG2 4Å
497S96.1Very high94.2Very high70 Ų7065.4 Ų65.449%0.4934%0.335SS..EExtended strand (participates in β ladder)trans-75.8125-179-179.20000111.1
498L96.4Very high94.2Very high0 Ų066 Ų660%034%0.339CS..  trans-105.18.8173.3-50.5-178000112.2P480 V482 I496 N500 Y501 S502 C503 P505 I519 L533 V542P480-L498 CarbonylContact O-C 3.58Å; P480-L498 VanDerWaalsContact O-CA 3.31Å; P480-L498 WeakPolarHBondContact O-CA 3.43Å; P480-L498 WeakPolarHBondContact O-CB 3.17Å; P480-L498 PolarHBondContact O-N 3.49Å; V482-L498 HydrophobicContact CG2-CD1 4.05Å; I496-L498 HydrophobicContact CG2-CD2 4.33Å; L498-N500 VanDerWaalsContact C-N 3.28Å; L498-N500 PolarHBondContact O-N 2.81Å; L498-Y501 PolarHBondContact O-N 3.43Å; L498-S502 PolarHBondContact O-N 2.86Å; L498-C503 HydrophobicContact CB-CB 4.08Å; L498-C503 WeakPolarHBondContact CB-O 3.22Å; L498-C503 HydrophobicContact CD1-CB 4.36Å; L498-P505 HydrophobicContact CD1-CB 4.32Å; L498-P505 HydrophobicContact CD1-CG 4.38Å; L498-I519 HydrophobicContact CD1-CD1 4.15Å; L498-I519 HydrophobicContact CD1-CG2 4.02Å; L498-I519 HydrophobicContact CD2-CD1 4.08Å; L498-L533 HydrophobicContact CD2-CD1 4.21Å; L498-V542 HydrophobicContact CD2-CG2 3.63Å
499K93.8Very high94.3Very high149 Ų14959.8 Ų59.865%0.64831%0.311SS*.G310 helixtrans-57.5-38.9-174.2-171.3179.2178.3-177.40112.8P480 Y501 S502P480-K499 HydrophobicContact CG-CB 4.18Å; P480-K499 HydrophobicContact CG-CG 4.38Å; P480-K499 PolarHBondContact O-N 2.98Å; K499-Y501 PolarHBondContact O-N 2.93Å; K499-Y501 VanDerWaalsContact O-N 3.12Å; K499-S502 PolarHBondContact O-N 2.79Å
500N92.8Very high94.4Very high148 Ų14857.4 Ų57.479%0.79129%0.294SS*.G310 helixtrans-61.8-20.8179.3-68.6-3.8000113L498L498-N500 VanDerWaalsContact C-N 3.28Å; L498-N500 PolarHBondContact O-N 2.81Å
501Y91.9Very high94.4Very high91 Ų9154.8 Ų54.836%0.35728%0.282SS..G310 helixtrans-106.12.7178.6-58.2-84000112.6L498 K499 C503 L533 V542L498-Y501 PolarHBondContact O-N 3.43Å; K499-Y501 PolarHBondContact O-N 2.93Å; K499-Y501 VanDerWaalsContact O-N 3.12Å; Y501-C503 PolarHBondContact O-N 3.09Å; Y501-C503 VanDerWaalsContact O-N 3.13Å; Y501-L533 HydrophobicContact CD1-CD2 3.87Å; Y501-L533 HydrophobicContact CD2-CD1 4.18Å; Y501-L533 HydrophobicContact CG-CD1 3.98Å; Y501-L533 HydrophobicContact CG-CD2 3.9Å; Y501-V542 HydrophobicContact CD2-CG1 3.87Å; Y501-V542 HydrophobicContact CE2-CB 3.9Å; Y501-V542 HydrophobicContact CE2-CG1 3.36Å
502S92Very high94.2Very high69 Ų6949.7 Ų49.748%0.48326%0.259SS..THydrogen-bonded Turntrans49.236.7-174.8-57.60000113.1L498 K499 K524L498-S502 PolarHBondContact O-N 2.86Å; K499-S502 PolarHBondContact O-N 2.79Å; S502-K524 WeakPolarHBondContact O-CE 3.33Å
503C92.9Very high94Very high1 Ų143.6 Ų43.61%0.00724%0.237CC..PPolyproline II helixtrans-102.1116.3-173.9174.90000109.6P480 L498 Y501 C521 L533P480-C503 WeakPolarHBondContact CA-O 3.44Å; P480-C503 VanDerWaalsContact CB-O 3.27Å; P480-C503 WeakPolarHBondContact CB-O 3.25Å; L498-C503 HydrophobicContact CB-CB 4.08Å; L498-C503 WeakPolarHBondContact CB-O 3.22Å; L498-C503 HydrophobicContact CD1-CB 4.36Å; Y501-C503 PolarHBondContact O-N 3.09Å; Y501-C503 VanDerWaalsContact O-N 3.13Å; C503-C521 HydrophobicContact CB-CB 3.9Å; C503-C521 WeakPolarHBondContact CB-SG 3.1Å; C503-C521 VanDerWaalsContact SG-CA 3.53Å; C503-C521 WeakPolarHBondContact SG-CB 3.44Å; C503-C521 CovalentContact SG-SG 2.02Å; C503-C521 PolarHBondContact SG-SG 3.47Å; C503-L533 HydrophobicContact CB-CD1 3.59Å
504I95.4Very high93.9Very high44 Ų4439.6 Ų39.623%0.22621%0.213CC..PPolyproline II helixtrans-92.2120.8164.5-61.7165.7000106C521 Q522I504-C521 CarbonylContact O-C 3.58Å; I504-C521 WeakPolarHBondContact O-CA 3.45Å; I504-Q522 HydrophobicContact CB-CB 4.44Å; I504-Q522 HydrophobicContact CB-CG 4.39Å; I504-Q522 HydrophobicContact CG2-CG 4.29Å; I504-Q522 WeakPolarHBondContact O-CG 3.45Å; I504-Q522 PolarHBondContact O-N 3.45Å
505P95.8Very high93.8Very high0 Ų036.1 Ų36.10%020%0.197CC..EExtended strand (participates in β ladder)trans-68138-175.327.3-32.2000111.2F475 E479 A481 V482 L498 I519F475-P505 HydrophobicContact CB-CG 3.94Å; F475-P505 HydrophobicContact CD1-CB 4.09Å; F475-P505 HydrophobicContact CD1-CG 3.93Å; F475-P505 HydrophobicContact CD2-CB 3.99Å; F475-P505 HydrophobicContact CD2-CG 4.3Å; F475-P505 HydrophobicContact CE1-CB 4.45Å; F475-P505 HydrophobicContact CE2-CB 4.36Å; F475-P505 HydrophobicContact CG-CB 3.92Å; F475-P505 HydrophobicContact CG-CG 3.77Å; E479-P505 WeakPolarHBondContact O-CD 3.04Å; A481-P505 WeakPolarHBondContact O-CG 3.47Å; V482-P505 HydrophobicContact CG2-CB 4.06Å; V482-P505 HydrophobicContact CG2-CG 3.99Å; L498-P505 HydrophobicContact CD1-CB 4.32Å; L498-P505 HydrophobicContact CD1-CG 4.38Å; P505-I519 HydrophobicContact CB-CG2 3.81Å
506A93Very high93.7Very high35 Ų3533.6 Ų33.629%0.28918%0.181SC..EExtended strand (participates in β ladder)trans-110.1-42.7177.400000111.6Q520 Q522A506-Q520 PolarHBondContact N-O 3.31Å; A506-Q522 HydrophobicContact CB-CG 3.81Å
507S93.3Very high93.7Very high11 Ų1134 Ų348%0.07718%0.182CC..EExtended strand (participates in β ladder)trans-150.3165.4177.571.20000109.7Q520S507-Q520 PolarHBondContact O-N 2.88Å; S507-Q520 WeakPolarHBondContact OG-CB 3.31Å; S507-Q520 PolarHBondContact OG-OE1 2.83Å
508M95.4Very high93.8Very high14 Ų1430.8 Ų30.87%0.06916%0.159CC..EExtended strand (participates in β ladder)trans-139.8145.3176.5175-179.7-82.200110.1F458 F473 F475 V482 Y517 F518 I519F458-M508 HydrophobicContact CB-CB 4.2Å; F458-M508 HydrophobicContact CB-SD 4.25Å; F458-M508 HydrophobicContact CD1-CB 4.31Å; F458-M508 HydrophobicContact CD1-CG 3.8Å; F458-M508 HydrophobicContact CD1-SD 3.41Å; F458-M508 WeakPolarHBondContact CD1-SD 3.41Å; F458-M508 HydrophobicContact CD2-CB 4.43Å; F458-M508 WeakPolarHBondContact CD2-O 3.3Å; F458-M508 HydrophobicContact CE1-CG 4.1Å; F458-M508 HydrophobicContact CE1-SD 4.01Å; F458-M508 WeakPolarHBondContact CE2-O 3.2Å; F458-M508 HydrophobicContact CG-CB 4.06Å; F458-M508 HydrophobicContact CG-CG 4.06Å; F458-M508 HydrophobicContact CG-SD 4.02Å; F473-M508 HydrophobicContact CB-CE 4.47Å; F473-M508 HydrophobicContact CB-SD 4.11Å; F473-M508 HydrophobicContact CD2-SD 3.98Å; F473-M508 HydrophobicContact CG-CE 4.35Å; F473-M508 HydrophobicContact CG-SD 3.99Å; F475-M508 HydrophobicContact CE1-CE 4.27Å; F475-M508 HydrophobicContact CE2-CB 4.33Å; F475-M508 HydrophobicContact CZ-CB 3.6Å; F475-M508 HydrophobicContact CZ-CE 4.43Å; F475-M508 HydrophobicContact CZ-SD 4.49Å; V482-M508 HydrophobicContact CG1-CE 3.89Å; V482-M508 HydrophobicContact CG2-CE 4.16Å; M508-Y517 HydrophobicContact SD-CD1 4.06Å; M508-Y517 HydrophobicContact SD-CG 4.46Å; M508-F518 CarbonylContact C-O 3.54Å; M508-F518 VanDerWaalsContact CA-O 3.24Å; M508-F518 WeakPolarHBondContact CA-O 3.46Å; M508-I519 HydrophobicContact CE-CD1 3.88Å; M508-I519 HydrophobicContact CE-CG1 3.68Å
509A96Very high93.8Very high9 Ų930.8 Ų30.87%0.07416%0.16CC..EExtended strand (participates in β ladder)trans-130.1163.4166.600000110.2Y517 F518 A553 V555A509-Y517 WeakPolarHBondContact O-CA 3.23Å; A509-F518 HydrophobicContact CB-CB 4.32Å; A509-F518 HydrophobicContact CB-CD2 4.43Å; A509-F518 PolarHBondContact N-O 2.88Å; A509-F518 PolarHBondContact O-N 3.14Å; A509-A553 HydrophobicContact CB-CB 3.91Å; A509-A553 VanDerWaalsContact CB-O 3.3Å; A509-A553 WeakPolarHBondContact CB-O 3.44Å; A509-V555 HydrophobicContact CB-CG2 3.94Å
510Y95.1Very high93.8Very high22 Ų2225.3 Ų25.39%0.08614%0.136CC..EExtended strand (participates in β ladder)trans-143.4133.7-173.7172.9-116.6000111I175 P460 I466 H512 F516 Y517I175-Y510 WeakPolarHBondContact CG2-OH 3.26Å; P460-Y510 HydrophobicContact CB-CD1 4.01Å; P460-Y510 HydrophobicContact CB-CE1 4.38Å; I466-Y510 HydrophobicContact CD1-CE1 3.68Å; Y510-H512 HydrophobicContact CE1-CB 3.97Å; Y510-F516 WeakPolarHBondContact CA-O 3.32Å; Y510-F516 WeakPolarHBondContact CD2-O 3.2Å; Y510-Y517 AromaticContact CD2-CD1 3.32Å; Y510-Y517 HydrophobicContact CD2-CD1 3.32Å; Y510-Y517 AromaticContact CD2-CE1 3.09Å; Y510-Y517 HydrophobicContact CD2-CE1 3.09Å; Y510-Y517 HydrophobicContact CD2-CG 4.22Å; Y510-Y517 AromaticContact CD2-CZ 3.88Å; Y510-Y517 HydrophobicContact CE2-CD1 4.2Å; Y510-Y517 AromaticContact CE2-CE1 3.66Å; Y510-Y517 HydrophobicContact CE2-CE1 3.66Å; Y510-Y517 AromaticContact CE2-CZ 3.98Å; Y510-Y517 AromaticContact CG-CD1 3.88Å; Y510-Y517 HydrophobicContact CG-CD1 3.88Å; Y510-Y517 AromaticContact CG-CE1 3.6Å; Y510-Y517 HydrophobicContact CG-CE1 3.6Å
511T93.6Very high93.8Very high0 Ų018.4 Ų18.40%010%0.099CC..EExtended strand (participates in β ladder)trans-109.9133.1163.4178.30000110.1L513 G515 F516 F518 G559 V577T511-L513 VanDerWaalsContact C-N 3.27Å; T511-L513 WeakPolarHBondContact CG2-O 3.38Å; T511-L513 PolarHBondContact OG1-N 3.34Å; T511-G515 VanDerWaalsContact O-CA 3.28Å; T511-G515 WeakPolarHBondContact O-CA 3.47Å; T511-G515 PolarHBondContact O-N 2.82Å; T511-F516 HydrophobicContact CG2-CB 3.84Å; T511-F516 HydrophobicContact CG2-CD2 4.2Å; T511-F516 PolarHBondContact N-O 3.42Å; T511-F516 PolarHBondContact O-N 3.11Å; T511-F518 HydrophobicContact CG2-CE2 3.78Å; T511-F518 HydrophobicContact CG2-CZ 4.2Å; T511-G559 WeakPolarHBondContact OG1-CA 3.47Å; T511-G559 PolarHBondContact OG1-O 3.43Å; T511-V577 HydrophobicContact CG2-CG2 3.97Å
512H90Very high93.8Very high9 Ų918 Ų184%0.04210%0.1CC..THydrogen-bonded Turntrans-80-1117664.9-81.3000112.7T174 I175 N463 I465 I466 Y510 D558 G559T174-H512 CarbonylContact C-O 3.52Å; T174-H512 VanDerWaalsContact CB-O 3.3Å; T174-H512 WeakPolarHBondContact CB-O 3.49Å; T174-H512 PolarHBondContact OG1-O 3.05Å; I175-H512 PolarHBondContact N-O 3.3Å; N463-H512 PolarHBondContact ND2-CE1 3.22Å; N463-H512 VanDerWaalsContact ND2-CG 3.27Å; N463-H512 PolarHBondContact ND2-ND1 2.9Å; N463-H512 PolarHBondContact ND2-NE2 3.2Å; I465-H512 WeakPolarHBondContact CD1-NE2 3.48Å; I466-H512 HydrophobicContact CD1-CB 3.41Å; I466-H512 VanDerWaalsContact CD1-CB 3.41Å; I466-H512 HydrophobicContact CG1-CB 4.17Å; Y510-H512 HydrophobicContact CE1-CB 3.97Å; H512-D558 PolarHBondContact CE1-O 2.83Å; H512-D558 VanDerWaalsContact CE1-O 3.25Å; H512-G559 PolarHBondContact CE1-N 3.14Å
513L91.1Very high93.2Very high13 Ų1317 Ų177%0.0689%0.094CC..THydrogen-bonded Turntrans-83.9118.9170.3-56.5-174.3000108.1T174 I228 T511 G515 D558 R560 V577T174-L513 HydrophobicContact CG2-CD2 4.16Å; I228-L513 HydrophobicContact CD1-CD2 3.74Å; T511-L513 VanDerWaalsContact C-N 3.27Å; T511-L513 WeakPolarHBondContact CG2-O 3.38Å; T511-L513 PolarHBondContact OG1-N 3.34Å; L513-G515 PolarHBondContact O-N 3.33Å; L513-D558 WeakPolarHBondContact CD1-O 3.08Å; L513-R560 HydrophobicContact CD1-CB 4.37Å; L513-V577 HydrophobicContact CB-CB 4.08Å; L513-V577 HydrophobicContact CB-CG1 3.73Å
514S91.3Very high92Very high0 Ų025.1 Ų25.10%013%0.129CC..THydrogen-bonded Turntrans61-4.8-172.5-54.60000116.9R145 T174 I175 G581R145-S514 PolarHBondContact NH2-O 3.29Å; T174-S514 PolarHBondContact O-N 3.45Å; I175-S514 CarbonylContact O-C 3.46Å; I175-S514 VanDerWaalsContact O-C 3.29Å; S514-G581 WeakPolarHBondContact CB-O 3.22Å; S514-G581 WeakPolarHBondContact OG-CA 3.47Å; S514-G581 PolarHBondContact OG-O 3.05Å
515G91.8Very high90.3Very high0 Ų026 Ų260%014%0.139CC..THydrogen-bonded Turntrans68.554.2169.600000113.6T511 L513 S537T511-G515 VanDerWaalsContact O-CA 3.28Å; T511-G515 WeakPolarHBondContact O-CA 3.47Å; T511-G515 PolarHBondContact O-N 2.82Å; L513-G515 PolarHBondContact O-N 3.33Å; G515-S537 WeakPolarHBondContact CA-OG 3.31Å; G515-S537 WeakPolarHBondContact O-CB 3.38Å; G515-S537 PolarHBondContact O-N 3.27Å; G515-S537 PolarHBondContact O-OG 2.94Å
516F94.4Very high88.4Confident13 Ų1335 Ų356%0.05719%0.186CC..EExtended strand (participates in β ladder)trans-96.5131.3173.9-64.1-73.6000111.7Y510 T511 F518 I543 L583Y510-F516 WeakPolarHBondContact CA-O 3.32Å; Y510-F516 WeakPolarHBondContact CD2-O 3.2Å; T511-F516 HydrophobicContact CG2-CB 3.84Å; T511-F516 HydrophobicContact CG2-CD2 4.2Å; T511-F516 PolarHBondContact N-O 3.42Å; T511-F516 PolarHBondContact O-N 3.11Å; F516-F518 HydrophobicContact CB-CE2 4.03Å; F516-F518 HydrophobicContact CB-CZ 3.95Å; F516-I543 HydrophobicContact CD1-CD1 3.82Å; F516-I543 HydrophobicContact CE1-CD1 3.59Å; F516-L583 HydrophobicContact CD2-CB 4.44Å; F516-L583 HydrophobicContact CE2-CB 4.06Å; F516-L583 HydrophobicContact CZ-CB 4.45Å
517Y96.5Very high86.4Confident16 Ų1640.4 Ų40.46%0.06321%0.209CC..EExtended strand (participates in β ladder)trans-95.5132.8161.5-62.5-61.8000110.2F473 M508 A509 Y510 L534 V535F473-Y517 HydrophobicContact CE1-CE2 4.4Å; F473-Y517 AromaticContact CE2-CE1 3.86Å; F473-Y517 HydrophobicContact CE2-CE1 3.86Å; F473-Y517 HydrophobicContact CE2-CE2 4.33Å; F473-Y517 AromaticContact CE2-CZ 3.66Å; F473-Y517 HydrophobicContact CZ-CE1 4.09Å; F473-Y517 AromaticContact CZ-CE2 3.71Å; F473-Y517 HydrophobicContact CZ-CE2 3.71Å; F473-Y517 AromaticContact CZ-CZ 3.46Å; F473-Y517 VanDerWaalsContact CZ-CZ 3.46Å; F473-Y517 WeakPolarHBondContact CZ-OH 3.36Å; M508-Y517 HydrophobicContact SD-CD1 4.06Å; M508-Y517 HydrophobicContact SD-CG 4.46Å; A509-Y517 WeakPolarHBondContact O-CA 3.23Å; Y510-Y517 AromaticContact CD2-CD1 3.32Å; Y510-Y517 HydrophobicContact CD2-CD1 3.32Å; Y510-Y517 AromaticContact CD2-CE1 3.09Å; Y510-Y517 HydrophobicContact CD2-CE1 3.09Å; Y510-Y517 HydrophobicContact CD2-CG 4.22Å; Y510-Y517 AromaticContact CD2-CZ 3.88Å; Y510-Y517 HydrophobicContact CE2-CD1 4.2Å; Y510-Y517 AromaticContact CE2-CE1 3.66Å; Y510-Y517 HydrophobicContact CE2-CE1 3.66Å; Y510-Y517 AromaticContact CE2-CZ 3.98Å; Y510-Y517 AromaticContact CG-CD1 3.88Å; Y510-Y517 HydrophobicContact CG-CD1 3.88Å; Y510-Y517 AromaticContact CG-CE1 3.6Å; Y510-Y517 HydrophobicContact CG-CE1 3.6Å; Y517-L534 WeakPolarHBondContact O-CA 3.48Å; Y517-V535 HydrophobicContact CD2-CB 4.47Å; Y517-V535 HydrophobicContact CD2-CG1 4.34Å; Y517-V535 PolarHBondContact N-O 3.25Å; Y517-V535 PolarHBondContact O-N 3.33Å
518F96.9Very high84.8Confident2 Ų241.1 Ų41.11%0.00922%0.218CC..EExtended strand (participates in β ladder)trans-105.6111.3175.1-56.1-90.3000108.5M508 A509 T511 F516 Q532 L534 A553 V555 V562 L583M508-F518 CarbonylContact C-O 3.54Å; M508-F518 VanDerWaalsContact CA-O 3.24Å; M508-F518 WeakPolarHBondContact CA-O 3.46Å; A509-F518 HydrophobicContact CB-CB 4.32Å; A509-F518 HydrophobicContact CB-CD2 4.43Å; A509-F518 PolarHBondContact N-O 2.88Å; A509-F518 PolarHBondContact O-N 3.14Å; T511-F518 HydrophobicContact CG2-CE2 3.78Å; T511-F518 HydrophobicContact CG2-CZ 4.2Å; F516-F518 HydrophobicContact CB-CE2 4.03Å; F516-F518 HydrophobicContact CB-CZ 3.95Å; F518-Q532 HydrophobicContact CB-CG 4.41Å; F518-L534 HydrophobicContact CD1-CD2 3.38Å; F518-L534 HydrophobicContact CE1-CD2 3.44Å; F518-L534 VanDerWaalsContact CE1-CD2 3.44Å; F518-L534 HydrophobicContact CG-CD2 4.35Å; F518-L534 HydrophobicContact CZ-CD2 4.44Å; F518-A553 HydrophobicContact CB-CB 3.74Å; F518-A553 HydrophobicContact CG-CB 4.03Å; F518-V555 HydrophobicContact CD2-CG2 4.33Å; F518-V555 HydrophobicContact CE2-CG2 4.31Å; F518-V562 HydrophobicContact CD1-CG1 4.28Å; F518-V562 HydrophobicContact CD2-CG1 4.3Å; F518-V562 HydrophobicContact CE1-CG1 4.02Å; F518-V562 HydrophobicContact CE1-CG2 4.48Å; F518-V562 HydrophobicContact CE2-CG1 4.04Å; F518-V562 HydrophobicContact CE2-CG2 3.87Å; F518-V562 HydrophobicContact CG-CG1 4.43Å; F518-V562 HydrophobicContact CZ-CB 4.28Å; F518-V562 HydrophobicContact CZ-CG1 3.92Å; F518-V562 HydrophobicContact CZ-CG2 3.68Å; F518-L583 HydrophobicContact CE1-CD1 4.34Å; F518-L583 HydrophobicContact CE1-CD2 3.7Å; F518-L583 HydrophobicContact CZ-CD1 4.09Å; F518-L583 HydrophobicContact CZ-CD2 4.1Å
519I96.8Very high83.5Confident1 Ų142.1 Ų42.11%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-104.5117-179-59.3175000108.9V482 L498 P505 M508 Q532 L533 V535V482-I519 HydrophobicContact CG2-CD1 3.87Å; L498-I519 HydrophobicContact CD1-CD1 4.15Å; L498-I519 HydrophobicContact CD1-CG2 4.02Å; L498-I519 HydrophobicContact CD2-CD1 4.08Å; P505-I519 HydrophobicContact CB-CG2 3.81Å; M508-I519 HydrophobicContact CE-CD1 3.88Å; M508-I519 HydrophobicContact CE-CG1 3.68Å; I519-Q532 CarbonylContact O-C 3.21Å; I519-Q532 VanDerWaalsContact O-CA 3.32Å; I519-Q532 WeakPolarHBondContact O-CA 3.49Å; I519-L533 HydrophobicContact CB-CB 4.39Å; I519-L533 PolarHBondContact N-O 3.13Å; I519-L533 PolarHBondContact O-N 2.91Å; I519-V535 HydrophobicContact CD1-CB 4.47Å; I519-V535 HydrophobicContact CD1-CG2 3.48Å; I519-V535 VanDerWaalsContact CD1-CG2 3.48Å; I519-V535 HydrophobicContact CG1-CG2 4.33Å
520Q94.6Very high82.7Confident34 Ų3442.5 Ų42.516%0.15923%0.232CC..EExtended strand (participates in β ladder)trans-80.7126.9169.6-173.8-173.315.400109.5A506 S507 A530A506-Q520 PolarHBondContact N-O 3.31Å; S507-Q520 PolarHBondContact O-N 2.88Å; S507-Q520 WeakPolarHBondContact OG-CB 3.31Å; S507-Q520 PolarHBondContact OG-OE1 2.83Å; Q520-A530 HydrophobicContact CG-CB 3.81Å
521C92.9Very high82.4Confident2 Ų244 Ų441%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-88144.5174.8-54.10000111.3C503 I504 S523 A530 S531C503-C521 HydrophobicContact CB-CB 3.9Å; C503-C521 WeakPolarHBondContact CB-SG 3.1Å; C503-C521 VanDerWaalsContact SG-CA 3.53Å; C503-C521 WeakPolarHBondContact SG-CB 3.44Å; C503-C521 CovalentContact SG-SG 2.02Å; C503-C521 PolarHBondContact SG-SG 3.47Å; I504-C521 CarbonylContact O-C 3.58Å; I504-C521 WeakPolarHBondContact O-CA 3.45Å; C521-S523 PolarHBondContact O-N 2.77Å; C521-A530 WeakPolarHBondContact O-CA 3.47Å; C521-A530 WeakPolarHBondContact O-CB 3.12Å; C521-S531 WeakPolarHBondContact CB-O 3.34Å; C521-S531 WeakPolarHBondContact CB-OG 3.25Å; C521-S531 PolarHBondContact N-O 3.26Å; C521-S531 PolarHBondContact SG-O 2.91Å; C521-S531 VanDerWaalsContact SG-O 3.42Å
522Q90.6Very high82.4Confident82 Ų8244.1 Ų44.138%0.38325%0.247SC..PPolyproline II helixtrans-59.2135.3168.8-66.9179.910.100110.4I504 A506I504-Q522 HydrophobicContact CB-CB 4.44Å; I504-Q522 HydrophobicContact CB-CG 4.39Å; I504-Q522 HydrophobicContact CG2-CG 4.29Å; I504-Q522 WeakPolarHBondContact O-CG 3.45Å; I504-Q522 PolarHBondContact O-N 3.45Å; A506-Q522 HydrophobicContact CB-CG 3.81Å
523S80.4Confident82.7Confident49 Ų4943.9 Ų43.934%0.34325%0.246SC..PPolyproline II helixtrans-71.3134.5177-177.40000111.4C521 S525 G528C521-S523 PolarHBondContact O-N 2.77Å; S523-S525 VanDerWaalsContact C-N 3.27Å; S523-S525 PolarHBondContact O-N 2.76Å; S523-S525 PolarHBondContact OG-N 3.45Å; S523-S525 PolarHBondContact OG-O 3.16Å; S523-G528 WeakPolarHBondContact CB-O 3.29Å; S523-G528 WeakPolarHBondContact OG-CA 3.38Å; S523-G528 PolarHBondContact OG-O 3.33Å
524K67.4Low82.9Confident171 Ų17144.2 Ų44.274%0.74325%0.247SC*.SBendtrans-76.4-10.3177.4-63.7-177.7-178.2176.40113.7S502S502-K524 WeakPolarHBondContact O-CE 3.33Å
525S59.7Low83.1Confident63 Ų6344.2 Ų44.244%0.44125%0.247SC..SBendtrans-140.2143.9-178.6168.80000110.1S523 L527 G528S523-S525 VanDerWaalsContact C-N 3.27Å; S523-S525 PolarHBondContact O-N 2.76Å; S523-S525 PolarHBondContact OG-N 3.45Å; S523-S525 PolarHBondContact OG-O 3.16Å; S525-L527 PolarHBondContact O-N 3.12Å; S525-L527 PolarHBondContact OG-N 2.86Å; S525-G528 PolarHBondContact O-N 3.17Å
526L55.1Low83.2Confident189 Ų18944.2 Ų44.299%0.9925%0.247SC*.THydrogen-bonded Turntrans-53.8-23.7169.7-72.3160.5000112.3
527L52Low83.1Confident148 Ų14844 Ų4478%0.77525%0.248SC*.THydrogen-bonded Turntrans-109.38.4177.6-68.4161.9000113S525 R568S525-L527 PolarHBondContact O-N 3.12Å; S525-L527 PolarHBondContact OG-N 2.86Å; L527-R568 PolarHBondContact O-NH1 2.8Å; L527-R568 PolarHBondContact O-NH2 3.16Å
528G60.1Low82.8Confident26 Ų2644.1 Ų44.127%0.26825%0.25SC..SBendtrans-98.5145.6178.200000113.7S523 S525 R568S523-G528 WeakPolarHBondContact CB-O 3.29Å; S523-G528 WeakPolarHBondContact OG-CA 3.38Å; S523-G528 PolarHBondContact OG-O 3.33Å; S525-G528 PolarHBondContact O-N 3.17Å; G528-R568 VanDerWaalsContact CA-NH2 3.29Å; G528-R568 VanDerWaalsContact N-NH2 3.19Å; G528-R568 PolarHBondContact O-NH2 3.37Å
529A66.7Low82.5Confident35 Ų3544 Ų4429%0.28925%0.249SC..  trans-80.9138.9179.900000108.9S531 T550 R568A529-S531 PolarHBondContact O-N 3.02Å; A529-S531 VanDerWaalsContact O-N 3.11Å; A529-T550 HydrophobicContact CB-CG2 3.67Å; A529-R568 VanDerWaalsContact CA-CZ 3.42Å; A529-R568 VanDerWaalsContact N-NH2 3.19Å
530A79.9Confident82.3Confident17 Ų1744.7 Ų44.714%0.1425%0.253CS..  trans-68.2105.717300000109.5Q520 C521 T550 G551Q520-A530 HydrophobicContact CG-CB 3.81Å; C521-A530 WeakPolarHBondContact O-CA 3.47Å; C521-A530 WeakPolarHBondContact O-CB 3.12Å; A530-T550 CarbonylContact O-C 3.44Å; A530-T550 WeakPolarHBondContact O-CA 3.02Å; A530-T550 VanDerWaalsContact O-CB 3.23Å; A530-T550 WeakPolarHBondContact O-CB 2.98Å; A530-G551 PolarHBondContact O-N 2.82Å
531S88.3Confident82.2Confident55 Ų5544.5 Ų44.539%0.38525%0.254SS..EExtended strand (participates in β ladder)trans-64.1151.4178.156.70000111.4C521 A529C521-S531 WeakPolarHBondContact CB-O 3.34Å; C521-S531 WeakPolarHBondContact CB-OG 3.25Å; C521-S531 PolarHBondContact N-O 3.26Å; C521-S531 PolarHBondContact SG-O 2.91Å; C521-S531 VanDerWaalsContact SG-O 3.42Å; A529-S531 PolarHBondContact O-N 3.02Å; A529-S531 VanDerWaalsContact O-N 3.11Å
532Q93.9Very high82.3Confident1 Ų145.6 Ų45.61%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-110.6137.6175.9-161.6-178.89500110.8F518 I519 P545 N546 G551 T564F518-Q532 HydrophobicContact CB-CG 4.41Å; I519-Q532 CarbonylContact O-C 3.21Å; I519-Q532 VanDerWaalsContact O-CA 3.32Å; I519-Q532 WeakPolarHBondContact O-CA 3.49Å; Q532-P545 WeakPolarHBondContact O-CA 3.27Å; Q532-N546 HydrophobicContact CB-CB 4.15Å; Q532-N546 HydrophobicContact CG-CB 4.42Å; Q532-N546 PolarHBondContact O-N 2.93Å; Q532-N546 PolarHBondContact OE1-ND2 2.69Å; Q532-G551 PolarHBondContact NE2-O 3.01Å; Q532-G551 VanDerWaalsContact NE2-O 3.09Å; Q532-T564 PolarHBondContact NE2-OG1 2.99Å
533L95.6Very high82.4Confident4 Ų444.4 Ų44.42%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-111.9146.2174.1-62.2-179.9000110.6L498 Y501 C503 I519 G544 P545L498-L533 HydrophobicContact CD2-CD1 4.21Å; Y501-L533 HydrophobicContact CD1-CD2 3.87Å; Y501-L533 HydrophobicContact CD2-CD1 4.18Å; Y501-L533 HydrophobicContact CG-CD1 3.98Å; Y501-L533 HydrophobicContact CG-CD2 3.9Å; C503-L533 HydrophobicContact CB-CD1 3.59Å; I519-L533 HydrophobicContact CB-CB 4.39Å; I519-L533 PolarHBondContact N-O 3.13Å; I519-L533 PolarHBondContact O-N 2.91Å; L533-G544 WeakPolarHBondContact CA-O 3.34Å; L533-P545 HydrophobicContact CD2-CB 4.23Å
534L95.8Very high83Confident20 Ų2042.4 Ų42.411%0.10524%0.244CC..EExtended strand (participates in β ladder)trans-100.6133.1171.7-61.3177.1000109.9Y517 F518 I543 G544 N546 L583Y517-L534 WeakPolarHBondContact O-CA 3.48Å; F518-L534 HydrophobicContact CD1-CD2 3.38Å; F518-L534 HydrophobicContact CE1-CD2 3.44Å; F518-L534 VanDerWaalsContact CE1-CD2 3.44Å; F518-L534 HydrophobicContact CG-CD2 4.35Å; F518-L534 HydrophobicContact CZ-CD2 4.44Å; L534-I543 HydrophobicContact CB-CB 4.19Å; L534-I543 HydrophobicContact CB-CD1 4.28Å; L534-I543 PolarHBondContact O-N 3.14Å; L534-G544 PolarHBondContact N-O 3.03Å; L534-G544 PolarHBondContact O-N 3.39Å; L534-N546 HydrophobicContact CD1-CB 4.25Å; L534-N546 HydrophobicContact CD2-CB 4.08Å; L534-N546 HydrophobicContact CG-CB 3.89Å; L534-L583 HydrophobicContact CD1-CD2 4Å; L534-L583 HydrophobicContact CD2-CD2 4.06Å
535V95.8Very high84.3Confident0 Ų038 Ų380%023%0.233CC..EExtended strand (participates in β ladder)trans-126.4133.1173.1179.90000108.2I496 Y517 I519 T541 V542I496-V535 HydrophobicContact CD1-CG1 4.3Å; I496-V535 HydrophobicContact CG2-CG1 4.3Å; Y517-V535 HydrophobicContact CD2-CB 4.47Å; Y517-V535 HydrophobicContact CD2-CG1 4.34Å; Y517-V535 PolarHBondContact N-O 3.25Å; Y517-V535 PolarHBondContact O-N 3.33Å; I519-V535 HydrophobicContact CD1-CB 4.47Å; I519-V535 HydrophobicContact CD1-CG2 3.48Å; I519-V535 VanDerWaalsContact CD1-CG2 3.48Å; I519-V535 HydrophobicContact CG1-CG2 4.33Å; V535-T541 WeakPolarHBondContact CA-O 3.27Å; V535-T541 WeakPolarHBondContact CG1-O 3.12Å; V535-V542 HydrophobicContact CG2-CB 4.42Å; V535-V542 HydrophobicContact CG2-CG1 4.4Å; V535-V542 HydrophobicContact CG2-CG2 4.09Å
536D93.6Very high85.9Confident0 Ų035.6 Ų35.60%022%0.215CC..EExtended strand (participates in β ladder)trans-78.3126174.8-177.496.5000109.2R145 N146 V538 T539 D540 T541 I543R145-D536 IonicContact CZ-OD1 3.72Å; R145-D536 IonicContact NE-OD1 3.68Å; R145-D536 PolarHBondContact NE-OD1 3.36Å; R145-D536 IonicContact NE-OD2 3.94Å; R145-D536 IonicContact NH2-OD1 3.25Å; N146-D536 PolarHBondContact ND2-OD1 3.11Å; D536-V538 WeakPolarHBondContact OD2-CA 3.42Å; D536-V538 VanDerWaalsContact OD2-CB 3.29Å; D536-V538 WeakPolarHBondContact OD2-CB 3.48Å; D536-V538 PolarHBondContact OD2-N 3.15Å; D536-T539 WeakPolarHBondContact CB-OG1 3.42Å; D536-T539 PolarHBondContact OD2-N 3.39Å; D536-T539 PolarHBondContact OD2-OG1 3.02Å; D536-D540 WeakPolarHBondContact O-CA 3.17Å; D536-D540 PolarHBondContact O-N 3.39Å; D536-T541 PolarHBondContact N-O 3.44Å; D536-T541 PolarHBondContact O-N 2.7Å; D536-I543 HydrophobicContact CB-CD1 3.99Å; D536-I543 HydrophobicContact CB-CG1 4.04Å
537S91.8Very high87.4Confident10 Ų1034.2 Ų34.27%0.0720%0.203CC..THydrogen-bonded Turntrans-78.8-18.2-176.667.70000114.2G515G515-S537 WeakPolarHBondContact CA-OG 3.31Å; G515-S537 WeakPolarHBondContact O-CB 3.38Å; G515-S537 PolarHBondContact O-N 3.27Å; G515-S537 PolarHBondContact O-OG 2.94Å
538V90.8Very high88.9Confident17 Ų1733.3 Ų33.310%0.10320%0.199CC..THydrogen-bonded Turntrans-75.9-47.5176.5179.80000108.9L155 I158 I175 D536L155-V538 VanDerWaalsContact CD2-O 3.27Å; L155-V538 WeakPolarHBondContact CD2-O 3.48Å; I158-V538 HydrophobicContact CD1-CG1 3.77Å; I175-V538 HydrophobicContact CB-CG2 4.44Å; I175-V538 HydrophobicContact CD1-CG2 4.3Å; I175-V538 HydrophobicContact CG1-CG2 3.91Å; D536-V538 WeakPolarHBondContact OD2-CA 3.42Å; D536-V538 VanDerWaalsContact OD2-CB 3.29Å; D536-V538 WeakPolarHBondContact OD2-CB 3.48Å; D536-V538 PolarHBondContact OD2-N 3.15Å
539T90.8Very high90.2Very high0 Ų032.6 Ų32.60%019%0.189CC..THydrogen-bonded Turntrans-91.3-16.2-176.864.70000113.4I148 L150 L153 K494 D536 T541I148-T539 HydrophobicContact CG2-CG2 4.14Å; L150-T539 HydrophobicContact CD2-CG2 3.55Å; L153-T539 HydrophobicContact CD1-CG2 3.66Å; K494-T539 PolarHBondContact NZ-O 2.62Å; K494-T539 VanDerWaalsContact NZ-O 3.12Å; D536-T539 WeakPolarHBondContact CB-OG1 3.42Å; D536-T539 PolarHBondContact OD2-N 3.39Å; D536-T539 PolarHBondContact OD2-OG1 3.02Å; T539-T541 PolarHBondContact O-N 2.85Å; T539-T541 PolarHBondContact OG1-N 2.88Å; T539-T541 PolarHBondContact OG1-OG1 2.87Å
540D92.3Very high91.2Very high15 Ų1532.4 Ų32.48%0.0818%0.184CC..THydrogen-bonded Turntrans52.632.3-164.9-51.9-64.2000113.3K484 K494 I496 D536K484-D540 VanDerWaalsContact NZ-CG 3.29Å; K484-D540 IonicContact NZ-OD1 3.38Å; K484-D540 PolarHBondContact NZ-OD1 2.9Å; K484-D540 IonicContact NZ-OD2 3.12Å; K484-D540 PolarHBondContact NZ-OD2 2.77Å; K494-D540 HydrophobicContact CD-CB 4.09Å; K494-D540 WeakPolarHBondContact CD-OD2 3.37Å; K494-D540 IonicContact NZ-OD2 3.15Å; K494-D540 PolarHBondContact NZ-OD2 2.05Å; I496-D540 HydrophobicContact CD1-CB 3.84Å; I496-D540 HydrophobicContact CG1-CB 4.06Å; D536-D540 WeakPolarHBondContact O-CA 3.17Å; D536-D540 PolarHBondContact O-N 3.39Å
541T92Very high91.6Very high31 Ų3132 Ų3219%0.1918%0.182CC..EExtended strand (participates in β ladder)trans-106.4143.4-179.860.60000111.9I148 V535 D536 T539 I543I148-T541 HydrophobicContact CD1-CG2 4.44Å; I148-T541 VanDerWaalsContact CG1-OG1 3.28Å; I148-T541 WeakPolarHBondContact CG1-OG1 3.28Å; I148-T541 HydrophobicContact CG2-CG2 3.96Å; V535-T541 WeakPolarHBondContact CA-O 3.27Å; V535-T541 WeakPolarHBondContact CG1-O 3.12Å; D536-T541 PolarHBondContact N-O 3.44Å; D536-T541 PolarHBondContact O-N 2.7Å; T539-T541 PolarHBondContact O-N 2.85Å; T539-T541 PolarHBondContact OG1-N 2.88Å; T539-T541 PolarHBondContact OG1-OG1 2.87Å; T541-I543 PolarHBondContact O-N 2.78Å
542V95.1Very high91.7Very high24 Ų2432.9 Ų32.915%0.14518%0.18CC..EExtended strand (participates in β ladder)trans-70.7118.5175.4-169.80000109.4I496 L498 Y501 V535I496-V542 HydrophobicContact CG2-CG2 4Å; L498-V542 HydrophobicContact CD2-CG2 3.63Å; Y501-V542 HydrophobicContact CD2-CG1 3.87Å; Y501-V542 HydrophobicContact CE2-CB 3.9Å; Y501-V542 HydrophobicContact CE2-CG1 3.36Å; V535-V542 HydrophobicContact CG2-CB 4.42Å; V535-V542 HydrophobicContact CG2-CG1 4.4Å; V535-V542 HydrophobicContact CG2-CG2 4.09Å
543I93.7Very high91.7Very high57 Ų5733.1 Ų33.129%0.29218%0.182SC..EExtended strand (participates in β ladder)trans-74-45.4175.7-55.9174.8000109N146 F516 L534 D536 T541N146-I543 HydrophobicContact CB-CD1 4.23Å; N146-I543 HydrophobicContact CB-CG1 4.31Å; F516-I543 HydrophobicContact CD1-CD1 3.82Å; F516-I543 HydrophobicContact CE1-CD1 3.59Å; L534-I543 HydrophobicContact CB-CB 4.19Å; L534-I543 HydrophobicContact CB-CD1 4.28Å; L534-I543 PolarHBondContact O-N 3.14Å; D536-I543 HydrophobicContact CB-CD1 3.99Å; D536-I543 HydrophobicContact CB-CG1 4.04Å; T541-I543 PolarHBondContact O-N 2.78Å
544G93.3Very high91.7Very high7 Ų734.8 Ų34.87%0.07219%0.188CC..EExtended strand (participates in β ladder)trans150.4-169-179.500000113.2L533 L534L533-G544 WeakPolarHBondContact CA-O 3.34Å; L534-G544 PolarHBondContact N-O 3.03Å; L534-G544 PolarHBondContact O-N 3.39Å
545P93.3Very high91.6Very high80 Ų8035.3 Ų35.352%0.51919%0.192SC..EExtended strand (participates in β ladder)trans-68138.5174.329.3-33.8000111.6Q532 L533 Q547Q532-P545 WeakPolarHBondContact O-CA 3.27Å; L533-P545 HydrophobicContact CD2-CB 4.23Å; P545-Q547 PolarHBondContact O-N 3.25Å; P545-Q547 VanDerWaalsContact O-N 3.14Å
546N93.3Very high91.4Very high12 Ų1235.5 Ų35.56%0.06419%0.193CC..EExtended strand (participates in β ladder)trans-71.4105.1167.9-164.71.3000108.1Q532 L534 N548 I549 Q575Q532-N546 HydrophobicContact CB-CB 4.15Å; Q532-N546 HydrophobicContact CG-CB 4.42Å; Q532-N546 PolarHBondContact O-N 2.93Å; Q532-N546 PolarHBondContact OE1-ND2 2.69Å; L534-N546 HydrophobicContact CD1-CB 4.25Å; L534-N546 HydrophobicContact CD2-CB 4.08Å; L534-N546 HydrophobicContact CG-CB 3.89Å; N546-N548 PolarHBondContact O-N 3.39Å; N546-I549 HydrophobicContact CB-CB 4.32Å; N546-I549 PolarHBondContact O-N 3.1Å; N546-Q575 PolarHBondContact ND2-OE1 3.14Å; N546-Q575 PolarHBondContact OD1-NE2 2.79Å; N546-Q575 VanDerWaalsContact OD1-NE2 3.14Å
547Q87.3Confident91.1Very high160 Ų16038 Ų3875%0.74821%0.21SC*.EExtended strand (participates in β ladder)trans-59.5131.4-166-63.8-169.68.500111.7P545 I549P545-Q547 PolarHBondContact O-N 3.25Å; P545-Q547 VanDerWaalsContact O-N 3.14Å; Q547-I549 PolarHBondContact O-N 2.7Å; Q547-I549 VanDerWaalsContact O-N 3.14Å
548N83.1Confident90.7Very high129 Ų12938.2 Ų38.269%0.6921%0.21SC*.EExtended strand (participates in β ladder)trans60.213.5179.5-60.6-35.9000116.2N546N546-N548 PolarHBondContact O-N 3.39Å
549I88.8Confident90.6Very high10 Ų1037.4 Ų37.45%0.05121%0.205CC..EExtended strand (participates in β ladder)trans-115.7132-178.8-64.1177.9000110.5N546 Q547 T564 T573 Q575N546-I549 HydrophobicContact CB-CB 4.32Å; N546-I549 PolarHBondContact O-N 3.1Å; Q547-I549 PolarHBondContact O-N 2.7Å; Q547-I549 VanDerWaalsContact O-N 3.14Å; I549-T564 HydrophobicContact CG2-CG2 3.85Å; I549-T573 HydrophobicContact CD1-CG2 3.76Å; I549-T573 HydrophobicContact CG1-CG2 3.95Å; I549-Q575 HydrophobicContact CD1-CG 3.64Å; I549-Q575 VanDerWaalsContact CD1-NE2 3.3Å
550T87.1Confident90.6Very high31 Ų3140.1 Ų40.119%0.1922%0.215CC..EExtended strand (participates in β ladder)trans-138.6143.7-17967.20000109.4A529 A530 T564A529-T550 HydrophobicContact CB-CG2 3.67Å; A530-T550 CarbonylContact O-C 3.44Å; A530-T550 WeakPolarHBondContact O-CA 3.02Å; A530-T550 VanDerWaalsContact O-CB 3.23Å; A530-T550 WeakPolarHBondContact O-CB 2.98Å; T550-T564 VanDerWaalsContact O-CG2 3.23Å; T550-T564 WeakPolarHBondContact O-CG2 3.42Å
551G87.4Confident90.6Very high8 Ų840.3 Ų40.38%0.08222%0.215CC..SBendtrans112.6-179.1-177.600000114.1A530 Q532A530-G551 PolarHBondContact O-N 2.82Å; Q532-G551 PolarHBondContact NE2-O 3.01Å; Q532-G551 VanDerWaalsContact NE2-O 3.09Å
552Q90.9Very high90.8Very high75 Ų7538.8 Ų38.835%0.3521%0.206SC..  trans-80.5126.3178.1-179.9172.6-12.200109.7Y554 P565Q552-Y554 HydrophobicContact CB-CE2 4.13Å; Q552-Y554 HydrophobicContact CG-CD2 4.46Å; Q552-Y554 HydrophobicContact CG-CE2 3.91Å; Q552-Y554 WeakPolarHBondContact O-CD2 3.25Å; Q552-P565 VanDerWaalsContact O-CD 3.31Å; Q552-P565 WeakPolarHBondContact O-CD 3.35Å
553A94.7Very high90.8Very high6 Ų637.7 Ų37.75%0.0520%0.199CC..  trans-80143.9172.500000110.9A509 F518 V562A509-A553 HydrophobicContact CB-CB 3.91Å; A509-A553 VanDerWaalsContact CB-O 3.3Å; A509-A553 WeakPolarHBondContact CB-O 3.44Å; F518-A553 HydrophobicContact CB-CB 3.74Å; F518-A553 HydrophobicContact CG-CB 4.03Å; A553-V562 HydrophobicContact CB-CG1 3.82Å
554Y94.9Very high90.9Very high38 Ų3835 Ų3515%0.14919%0.185CC..EExtended strand (participates in β ladder)trans-122.7132.3169.6-64.2-101000107.5Q552 V562 V563 P565 M598Q552-Y554 HydrophobicContact CB-CE2 4.13Å; Q552-Y554 HydrophobicContact CG-CD2 4.46Å; Q552-Y554 HydrophobicContact CG-CE2 3.91Å; Q552-Y554 WeakPolarHBondContact O-CD2 3.25Å; Y554-V562 CarbonylContact O-C 3.59Å; Y554-V562 WeakPolarHBondContact O-CA 3.47Å; Y554-V563 PolarHBondContact N-O 2.97Å; Y554-V563 PolarHBondContact O-N 3.19Å; Y554-P565 HydrophobicContact CE2-CG 4.32Å; Y554-M598 WeakPolarHBondContact CB-SD 3.34Å; Y554-M598 HydrophobicContact CD1-CG 3.42Å; Y554-M598 VanDerWaalsContact CD1-CG 3.42Å; Y554-M598 HydrophobicContact CD1-SD 3.92Å; Y554-M598 HydrophobicContact CD2-CE 3.56Å; Y554-M598 HydrophobicContact CD2-CG 3.89Å; Y554-M598 HydrophobicContact CD2-SD 3.32Å; Y554-M598 WeakPolarHBondContact CD2-SD 3.46Å; Y554-M598 HydrophobicContact CE1-CG 3.77Å; Y554-M598 HydrophobicContact CE2-CE 3.71Å; Y554-M598 HydrophobicContact CE2-CG 4.21Å; Y554-M598 HydrophobicContact CE2-SD 4Å; Y554-M598 HydrophobicContact CG-CE 4.13Å; Y554-M598 HydrophobicContact CG-CG 3.48Å; Y554-M598 VanDerWaalsContact CG-CG 3.48Å; Y554-M598 HydrophobicContact CG-SD 3.28Å
555V94.3Very high90.8Very high31 Ų3135.3 Ų35.319%0.18819%0.186CC..EExtended strand (participates in β ladder)trans-113.3133.9-174.5-177.10000108.7A509 F518 Y561 V562 F600A509-V555 HydrophobicContact CB-CG2 3.94Å; F518-V555 HydrophobicContact CD2-CG2 4.33Å; F518-V555 HydrophobicContact CE2-CG2 4.31Å; V555-Y561 WeakPolarHBondContact CA-O 3.1Å; V555-V562 HydrophobicContact CG1-CG2 4.48Å; V555-V562 HydrophobicContact CG2-CG1 4.2Å; V555-V562 HydrophobicContact CG2-CG2 4.13Å; V555-F600 VanDerWaalsContact O-CE2 3.3Å; V555-F600 WeakPolarHBondContact O-CE2 3.36Å
556S91.2Very high90.4Very high4 Ų431.8 Ų31.83%0.02816%0.163CC..  trans-64.1153.6175.954.30000111.2D558 G559 R560 Y561S556-D558 VanDerWaalsContact CB-OD1 3.24Å; S556-D558 WeakPolarHBondContact CB-OD1 3.43Å; S556-D558 PolarHBondContact O-N 3.24Å; S556-D558 PolarHBondContact OG-OD1 3.19Å; S556-G559 WeakPolarHBondContact O-CA 3.38Å; S556-G559 PolarHBondContact O-N 3.43Å; S556-R560 PolarHBondContact OG-N 3.1Å; S556-Y561 PolarHBondContact N-O 2.84Å; S556-Y561 PolarHBondContact OG-N 3Å; S556-Y561 PolarHBondContact OG-O 3.25Å
557P86.5Confident89.4Confident52 Ų5235.6 Ų35.634%0.33819%0.189SC..THydrogen-bonded Turntrans-54.3-37.2-179.5-29.135.6000114.5G559 F600 L661P557-G559 PolarHBondContact O-N 3.3Å; P557-F600 HydrophobicContact CG-CB 4.47Å; P557-L661 HydrophobicContact CB-CD2 4.18Å
558D84.5Confident88.9Confident15 Ų1534.2 Ų34.28%0.0818%0.176CC..THydrogen-bonded Turntrans-74.8-217568.1-3.8000113.8H512 L513 S556 R560 H610H512-D558 PolarHBondContact CE1-O 2.83Å; H512-D558 VanDerWaalsContact CE1-O 3.25Å; L513-D558 WeakPolarHBondContact CD1-O 3.08Å; S556-D558 VanDerWaalsContact CB-OD1 3.24Å; S556-D558 WeakPolarHBondContact CB-OD1 3.43Å; S556-D558 PolarHBondContact O-N 3.24Å; S556-D558 PolarHBondContact OG-OD1 3.19Å; D558-R560 PolarHBondContact O-N 3.44Å; D558-R560 VanDerWaalsContact O-N 3.13Å; D558-R560 WeakPolarHBondContact OD1-CB 3.47Å; D558-R560 PolarHBondContact OD1-N 3.16Å; D558-R560 WeakPolarHBondContact OD2-CB 3.48Å; D558-H610 IonicContact OD1-CE1 3.78Å; D558-H610 IonicContact OD1-ND1 2.7Å; D558-H610 IonicContact OD2-CE1 3.73Å; D558-H610 PolarHBondContact OD2-CE1 2.91Å; D558-H610 IonicContact OD2-ND1 3.71Å; D558-H610 PolarHBondContact OD2-ND1 2.76Å
559G89.3Confident88.8Confident0 Ų034.2 Ų34.20%017%0.167CC..SBendtrans71.6-2.8-179.500000115.1T511 H512 S556 P557T511-G559 WeakPolarHBondContact OG1-CA 3.47Å; T511-G559 PolarHBondContact OG1-O 3.43Å; H512-G559 PolarHBondContact CE1-N 3.14Å; S556-G559 WeakPolarHBondContact O-CA 3.38Å; S556-G559 PolarHBondContact O-N 3.43Å; P557-G559 PolarHBondContact O-N 3.3Å
560R89.4Confident88.6Confident57 Ų5737 Ų3722%0.21519%0.188CC..  trans-74-45.1-171.5-178.9175.6-66.3-178.5-1112.6D230 L513 S556 D558 T576 V577 N608D230-R560 IonicContact OD1-CZ 3.65Å; D230-R560 IonicContact OD1-NH1 3.86Å; D230-R560 IonicContact OD1-NH2 2.97Å; D230-R560 PolarHBondContact OD1-NH2 2.66Å; D230-R560 IonicContact OD2-CZ 3.78Å; D230-R560 IonicContact OD2-NH1 3.25Å; D230-R560 PolarHBondContact OD2-NH1 2.82Å; D230-R560 VanDerWaalsContact OD2-NH1 3.11Å; D230-R560 IonicContact OD2-NH2 3.42Å; D230-R560 PolarHBondContact OD2-NH2 2.95Å; L513-R560 HydrophobicContact CD1-CB 4.37Å; S556-R560 PolarHBondContact OG-N 3.1Å; D558-R560 PolarHBondContact O-N 3.44Å; D558-R560 VanDerWaalsContact O-N 3.13Å; D558-R560 WeakPolarHBondContact OD1-CB 3.47Å; D558-R560 PolarHBondContact OD1-N 3.16Å; D558-R560 WeakPolarHBondContact OD2-CB 3.48Å; R560-T576 HydrophobicContact CG-CG2 3.82Å; R560-T576 CarbonylContact O-C 3.34Å; R560-T576 VanDerWaalsContact O-CA 3.24Å; R560-T576 WeakPolarHBondContact O-CA 3.33Å; R560-V577 PolarHBondContact O-N 3.14Å; R560-N608 PolarHBondContact NH1-O 2.91Å
561Y93.3Very high88.8Confident19 Ų1938.4 Ų38.48%0.07519%0.191CC..EExtended strand (participates in β ladder)trans-103.8136.6-175.2-61.4-82.2000111.2V555 S556 V574 L627V555-Y561 WeakPolarHBondContact CA-O 3.1Å; S556-Y561 PolarHBondContact N-O 2.84Å; S556-Y561 PolarHBondContact OG-N 3Å; S556-Y561 PolarHBondContact OG-O 3.25Å; Y561-V574 HydrophobicContact CD1-CG1 4.02Å; Y561-L627 HydrophobicContact CD1-CB 3.91Å; Y561-L627 HydrophobicContact CD1-CD1 4.2Å; Y561-L627 HydrophobicContact CD2-CD1 4.23Å; Y561-L627 HydrophobicContact CE1-CB 3.86Å; Y561-L627 HydrophobicContact CG-CB 4.29Å; Y561-L627 HydrophobicContact CG-CD1 3.85Å
562V95.4Very high89Confident0 Ų038 Ų380%019%0.187CC..EExtended strand (participates in β ladder)trans-123.5110.2172.6-1730000107.9F518 A553 Y554 V555 Q575 L583F518-V562 HydrophobicContact CD1-CG1 4.28Å; F518-V562 HydrophobicContact CD2-CG1 4.3Å; F518-V562 HydrophobicContact CE1-CG1 4.02Å; F518-V562 HydrophobicContact CE1-CG2 4.48Å; F518-V562 HydrophobicContact CE2-CG1 4.04Å; F518-V562 HydrophobicContact CE2-CG2 3.87Å; F518-V562 HydrophobicContact CG-CG1 4.43Å; F518-V562 HydrophobicContact CZ-CB 4.28Å; F518-V562 HydrophobicContact CZ-CG1 3.92Å; F518-V562 HydrophobicContact CZ-CG2 3.68Å; A553-V562 HydrophobicContact CB-CG1 3.82Å; Y554-V562 CarbonylContact O-C 3.59Å; Y554-V562 WeakPolarHBondContact O-CA 3.47Å; V555-V562 HydrophobicContact CG1-CG2 4.48Å; V555-V562 HydrophobicContact CG2-CG1 4.2Å; V555-V562 HydrophobicContact CG2-CG2 4.13Å; V562-Q575 HydrophobicContact CB-CB 4.27Å; V562-Q575 PolarHBondContact N-O 2.86Å; V562-Q575 PolarHBondContact O-N 3.42Å; V562-L583 HydrophobicContact CG2-CD1 4.49Å
563V95.8Very high89.1Confident0 Ų034.8 Ų34.80%017%0.172CC..EExtended strand (participates in β ladder)trans-105.1126.9-178.1-1750000109.4Y554 L572 T573 V574 M598 F600 L612 L627Y554-V563 PolarHBondContact N-O 2.97Å; Y554-V563 PolarHBondContact O-N 3.19Å; V563-L572 HydrophobicContact CG1-CB 4.25Å; V563-T573 CarbonylContact C-O 3.59Å; V563-T573 WeakPolarHBondContact CA-O 3.15Å; V563-V574 HydrophobicContact CG2-CG1 4.4Å; V563-V574 HydrophobicContact CG2-CG2 4.3Å; V563-M598 HydrophobicContact CB-SD 4.25Å; V563-M598 HydrophobicContact CG1-SD 4.2Å; V563-F600 HydrophobicContact CB-CZ 4.28Å; V563-F600 HydrophobicContact CG2-CE1 3.75Å; V563-F600 HydrophobicContact CG2-CZ 4Å; V563-L612 HydrophobicContact CB-CD2 4.48Å; V563-L612 HydrophobicContact CG1-CD2 3.78Å; V563-L612 HydrophobicContact CG2-CD1 4.42Å; V563-L612 HydrophobicContact CG2-CD2 4.37Å; V563-L627 HydrophobicContact CG2-CD1 4.11Å; V563-L627 HydrophobicContact CG2-CD2 3.96Å
564T94.4Very high89.1Confident0 Ų034.5 Ų34.50%017%0.17CC..EExtended strand (participates in β ladder)trans-124.9115.6176.3-56.80000109.4Q532 I549 T550 T573Q532-T564 PolarHBondContact NE2-OG1 2.99Å; I549-T564 HydrophobicContact CG2-CG2 3.85Å; T550-T564 VanDerWaalsContact O-CG2 3.23Å; T550-T564 WeakPolarHBondContact O-CG2 3.42Å; T564-T573 PolarHBondContact N-O 3.06Å; T564-T573 PolarHBondContact O-N 2.73Å
565P91.2Very high89.1Confident15 Ų1533.2 Ų33.210%0.09717%0.165CC..EExtended strand (participates in β ladder)trans-72.7129.2172.528.6-28.6000110.5Q552 Y554 P567 L572 V595 M598Q552-P565 VanDerWaalsContact O-CD 3.31Å; Q552-P565 WeakPolarHBondContact O-CD 3.35Å; Y554-P565 HydrophobicContact CE2-CG 4.32Å; P565-P567 VanDerWaalsContact O-CD 3.29Å; P565-P567 WeakPolarHBondContact O-CD 3.47Å; P565-L572 HydrophobicContact CB-CD2 3.55Å; P565-V595 HydrophobicContact CB-CB 4.2Å; P565-V595 HydrophobicContact CB-CG1 4.45Å; P565-V595 HydrophobicContact CG-CG1 4.39Å; P565-M598 HydrophobicContact CB-CE 4.4Å; P565-M598 HydrophobicContact CG-CE 3.86Å
566D86.3Confident89Confident6 Ų632.8 Ų32.83%0.03216%0.163CC..EExtended strand (participates in β ladder)trans-104.895.2170.8-174.4-15.3000109.5R568 R569 S570 K571D566-R568 PolarHBondContact O-N 3.47Å; D566-R568 VanDerWaalsContact OD1-CB 3.29Å; D566-R568 WeakPolarHBondContact OD1-CB 3.28Å; D566-R568 PolarHBondContact OD1-N 3.41Å; D566-R569 HydrophobicContact CB-CB 4.26Å; D566-R569 PolarHBondContact O-N 3.16Å; D566-R569 PolarHBondContact OD1-N 3.43Å; D566-R569 WeakPolarHBondContact OD2-CD 3.09Å; D566-R569 WeakPolarHBondContact OD2-CG 3.41Å; D566-R569 IonicContact OD2-NE 2.91Å; D566-S570 PolarHBondContact O-N 2.99Å; D566-K571 PolarHBondContact N-O 3.12Å; D566-K571 PolarHBondContact O-N 3.31Å
567P72.8Confident89.1Confident92 Ų9232.9 Ų32.960%0.59716%0.163SC*.THydrogen-bonded Turntrans-65.9-8.8-177.226.7-35.1000113.6P565P565-P567 VanDerWaalsContact O-CD 3.29Å; P565-P567 WeakPolarHBondContact O-CD 3.47Å
568R76.8Confident89.1Confident130 Ų13032 Ų3249%0.49116%0.159SC..THydrogen-bonded Turntrans-90.7-38.7178-58.9169.9174.8-108.3-36.9112.3L527 G528 A529 D566 S570L527-R568 PolarHBondContact O-NH1 2.8Å; L527-R568 PolarHBondContact O-NH2 3.16Å; G528-R568 VanDerWaalsContact CA-NH2 3.29Å; G528-R568 VanDerWaalsContact N-NH2 3.19Å; G528-R568 PolarHBondContact O-NH2 3.37Å; A529-R568 VanDerWaalsContact CA-CZ 3.42Å; A529-R568 VanDerWaalsContact N-NH2 3.19Å; D566-R568 PolarHBondContact O-N 3.47Å; D566-R568 VanDerWaalsContact OD1-CB 3.29Å; D566-R568 WeakPolarHBondContact OD1-CB 3.28Å; D566-R568 PolarHBondContact OD1-N 3.41Å; R568-S570 VanDerWaalsContact C-N 3.32Å
569R80.5Confident88.7Confident129 Ų12935.1 Ų35.149%0.48717%0.171SC..THydrogen-bonded Turntrans-87-11179.5-66.5-176.9-174.1-171.32111.6D566 K571 E588D566-R569 HydrophobicContact CB-CB 4.26Å; D566-R569 PolarHBondContact O-N 3.16Å; D566-R569 PolarHBondContact OD1-N 3.43Å; D566-R569 WeakPolarHBondContact OD2-CD 3.09Å; D566-R569 WeakPolarHBondContact OD2-CG 3.41Å; D566-R569 IonicContact OD2-NE 2.91Å; R569-K571 HydrophobicContact CB-CB 4.14Å; R569-K571 HydrophobicContact CB-CD 4.32Å; R569-K571 HydrophobicContact CB-CG 4.16Å; R569-E588 IonicContact NH1-OE1 3.98Å
570S85Confident88.4Confident70 Ų7039.4 Ų39.449%0.4919%0.191SC..THydrogen-bonded Turntrans52.850.8-169.5-64.60000109.4D566 R568 E591D566-S570 PolarHBondContact O-N 2.99Å; R568-S570 VanDerWaalsContact C-N 3.32Å; S570-E591 VanDerWaalsContact C-CB 3.41Å; S570-E591 WeakPolarHBondContact O-CB 3.49Å; S570-E591 PolarHBondContact O-N 2.58Å
571K89.6Confident88.1Confident59 Ų5936.9 Ų36.926%0.25718%0.183SC..EExtended strand (participates in β ladder)trans-139.9141.2-177.6-72.1-172.1174.7-152.10111.7D566 R569 E588 L589D566-K571 PolarHBondContact N-O 3.12Å; D566-K571 PolarHBondContact O-N 3.31Å; R569-K571 HydrophobicContact CB-CB 4.14Å; R569-K571 HydrophobicContact CB-CD 4.32Å; R569-K571 HydrophobicContact CB-CG 4.16Å; K571-E588 HydrophobicContact CD-CB 4.17Å; K571-E588 WeakPolarHBondContact CD-OE2 3.23Å; K571-E588 IonicContact NZ-OE2 2.91Å; K571-E588 PolarHBondContact NZ-OE2 3.39Å; K571-L589 CarbonylContact C-O 3.5Å; K571-L589 WeakPolarHBondContact CA-O 3.44Å
572L91.9Very high87.9Confident0 Ų039.8 Ų39.80%020%0.197CC..EExtended strand (participates in β ladder)trans-92120.1163.9-58.3-177.8000109.1V563 P565 E588 L589 E591 V595 L612 L623V563-L572 HydrophobicContact CG1-CB 4.25Å; P565-L572 HydrophobicContact CB-CD2 3.55Å; L572-E588 CarbonylContact O-C 3.29Å; L572-E588 WeakPolarHBondContact O-CA 3.19Å; L572-L589 HydrophobicContact CB-CB 4.27Å; L572-L589 PolarHBondContact N-O 2.85Å; L572-L589 PolarHBondContact O-N 3.11Å; L572-E591 HydrophobicContact CD2-CB 4.28Å; L572-E591 HydrophobicContact CD2-CG 3.81Å; L572-E591 HydrophobicContact CG-CB 4.07Å; L572-E591 HydrophobicContact CG-CG 4.02Å; L572-V595 HydrophobicContact CD2-CG2 4.23Å; L572-L612 HydrophobicContact CD1-CD2 3.7Å; L572-L623 HydrophobicContact CD1-CD2 3.65Å
573T93.6Very high87.7Confident8 Ų841.5 Ų41.55%0.04921%0.206CC..EExtended strand (participates in β ladder)trans-89.4125.2172.7-54.50000109.3I549 V563 T564 L585I549-T573 HydrophobicContact CD1-CG2 3.76Å; I549-T573 HydrophobicContact CG1-CG2 3.95Å; V563-T573 CarbonylContact C-O 3.59Å; V563-T573 WeakPolarHBondContact CA-O 3.15Å; T564-T573 PolarHBondContact N-O 3.06Å; T564-T573 PolarHBondContact O-N 2.73Å; T573-L585 HydrophobicContact CG2-CD1 3.35Å
574V94.4Very high87.6Confident0 Ų044.4 Ų44.40%022%0.224CC..EExtended strand (participates in β ladder)trans-111.8113178.6-173.50000108.8Y561 V563 N586 Q587 L589 L627Y561-V574 HydrophobicContact CD1-CG1 4.02Å; V563-V574 HydrophobicContact CG2-CG1 4.4Å; V563-V574 HydrophobicContact CG2-CG2 4.3Å; V574-N586 WeakPolarHBondContact O-CB 3.03Å; V574-N586 PolarHBondContact O-N 3.11Å; V574-Q587 HydrophobicContact CB-CG 3.78Å; V574-Q587 HydrophobicContact CG1-CG 4.39Å; V574-Q587 HydrophobicContact CG2-CG 4Å; V574-Q587 PolarHBondContact N-O 3.32Å; V574-Q587 PolarHBondContact O-N 3.35Å; V574-L589 HydrophobicContact CG2-CD1 4.09Å; V574-L589 HydrophobicContact CG2-CG 4.28Å; V574-L627 HydrophobicContact CG1-CD2 4.26Å; V574-L627 HydrophobicContact CG2-CD2 3.99Å
575Q94.8Very high87.4Confident10 Ų1049.3 Ų49.35%0.04725%0.25CC..EExtended strand (participates in β ladder)trans-99.6154.6167.9-62-178.5-75.200110.3N546 I549 V562 L583 T584 L585N546-Q575 PolarHBondContact ND2-OE1 3.14Å; N546-Q575 PolarHBondContact OD1-NE2 2.79Å; N546-Q575 VanDerWaalsContact OD1-NE2 3.14Å; I549-Q575 HydrophobicContact CD1-CG 3.64Å; I549-Q575 VanDerWaalsContact CD1-NE2 3.3Å; V562-Q575 HydrophobicContact CB-CB 4.27Å; V562-Q575 PolarHBondContact N-O 2.86Å; V562-Q575 PolarHBondContact O-N 3.42Å; Q575-L583 HydrophobicContact CB-CD1 3.83Å; Q575-L583 HydrophobicContact CB-CG 4.42Å; Q575-T584 CarbonylContact C-O 3.49Å; Q575-T584 WeakPolarHBondContact CA-O 3.29Å; Q575-T584 WeakPolarHBondContact CB-O 3.16Å; Q575-L585 HydrophobicContact CG-CD1 4.43Å
576T93.1Very high87Confident23 Ų2352.5 Ų52.514%0.14127%0.266CS..EExtended strand (participates in β ladder)trans-131139.1178.1-56.50000110.1R560 T584 N586R560-T576 HydrophobicContact CG-CG2 3.82Å; R560-T576 CarbonylContact O-C 3.34Å; R560-T576 VanDerWaalsContact O-CA 3.24Å; R560-T576 WeakPolarHBondContact O-CA 3.33Å; T576-T584 PolarHBondContact N-O 3.45Å; T576-T584 PolarHBondContact O-N 2.84Å; T576-T584 PolarHBondContact O-OG1 3.28Å; T576-N586 WeakPolarHBondContact OG1-CB 3.28Å
577V91.8Very high87.1Confident6 Ų654 Ų544%0.03627%0.273CS..EExtended strand (participates in β ladder)trans-88.4116.8169.1-172.50000108.2T511 L513 R560 E582 L583T511-V577 HydrophobicContact CG2-CG2 3.97Å; L513-V577 HydrophobicContact CB-CB 4.08Å; L513-V577 HydrophobicContact CB-CG1 3.73Å; R560-V577 PolarHBondContact O-N 3.14Å; V577-E582 WeakPolarHBondContact CA-O 3.29Å; V577-L583 HydrophobicContact CG2-CD1 4.03Å
578S86.6Confident87.9Confident34 Ų3453.3 Ų53.324%0.23826%0.262CS..  trans-70.7164.7178.8810000111.5Q580 G581 E582S578-Q580 PolarHBondContact O-N 2.87Å; S578-Q580 PolarHBondContact OG-N 3.2Å; S578-G581 VanDerWaalsContact O-CA 3.32Å; S578-G581 WeakPolarHBondContact O-CA 3.16Å; S578-G581 PolarHBondContact O-N 2.86Å; S578-G581 PolarHBondContact OG-N 3.2Å; S578-E582 PolarHBondContact N-O 2.91Å; S578-E582 PolarHBondContact OG-N 2.92Å
579F77.4Confident88.6Confident79 Ų7947.6 Ų47.635%0.34624%0.241SC..THydrogen-bonded Turntrans-64.8-21.2173.1-175.3-94.9000113.6Q197 N199 I228 P229Q197-F579 HydrophobicContact CB-CE1 3.85Å; Q197-F579 HydrophobicContact CB-CZ 4.39Å; Q197-F579 HydrophobicContact CG-CD1 4.06Å; Q197-F579 HydrophobicContact CG-CE1 3.78Å; N199-F579 WeakPolarHBondContact OD1-CZ 3.31Å; I228-F579 HydrophobicContact CG2-CD2 3.74Å; I228-F579 HydrophobicContact CG2-CE2 3.25Å; I228-F579 HydrophobicContact CG2-CZ 4.28Å; P229-F579 HydrophobicContact CG-CE2 4.23Å; P229-F579 HydrophobicContact CG-CZ 4.41Å
580Q82.4Confident88.9Confident90 Ų9046.9 Ų46.942%0.42125%0.247SC..THydrogen-bonded Turntrans-80.7-4.6170.6-67.5174.8-20.600111.9G178 V195 S578G178-Q580 VanDerWaalsContact CA-O 3.26Å; G178-Q580 WeakPolarHBondContact CA-O 3.4Å; V195-Q580 HydrophobicContact CG1-CB 4.15Å; V195-Q580 HydrophobicContact CG1-CG 4.18Å; S578-Q580 PolarHBondContact O-N 2.87Å; S578-Q580 PolarHBondContact OG-N 3.2Å
581G82.9Confident88.9Confident4 Ų443.9 Ų43.94%0.04123%0.225CC..SBendtrans85.518.7177.800000115.3M177 S514 S578M177-G581 VanDerWaalsContact SD-CA 3.59Å; S514-G581 WeakPolarHBondContact CB-O 3.22Å; S514-G581 WeakPolarHBondContact OG-CA 3.47Å; S514-G581 PolarHBondContact OG-O 3.05Å; S578-G581 VanDerWaalsContact O-CA 3.32Å; S578-G581 WeakPolarHBondContact O-CA 3.16Å; S578-G581 PolarHBondContact O-N 2.86Å; S578-G581 PolarHBondContact OG-N 3.2Å
582E88.9Confident88.5Confident80 Ų8044.8 Ų44.837%0.37424%0.237SC..  trans-92.8134.1179.6-60.3-173.5164.200110.8N179 V577 S578 T584N179-E582 PolarHBondContact ND2-OE1 2.88Å; V577-E582 WeakPolarHBondContact CA-O 3.29Å; S578-E582 PolarHBondContact N-O 2.91Å; S578-E582 PolarHBondContact OG-N 2.92Å; E582-T584 HydrophobicContact CB-CG2 4.44Å
583L92.6Very high88.3Confident36 Ų3645.4 Ų45.419%0.18824%0.24CC..EExtended strand (participates in β ladder)trans-84.4112.7172.7-177.571.5000109.4F516 F518 L534 V562 Q575 V577F516-L583 HydrophobicContact CD2-CB 4.44Å; F516-L583 HydrophobicContact CE2-CB 4.06Å; F516-L583 HydrophobicContact CZ-CB 4.45Å; F518-L583 HydrophobicContact CE1-CD1 4.34Å; F518-L583 HydrophobicContact CE1-CD2 3.7Å; F518-L583 HydrophobicContact CZ-CD1 4.09Å; F518-L583 HydrophobicContact CZ-CD2 4.1Å; L534-L583 HydrophobicContact CD1-CD2 4Å; L534-L583 HydrophobicContact CD2-CD2 4.06Å; V562-L583 HydrophobicContact CG2-CD1 4.49Å; Q575-L583 HydrophobicContact CB-CD1 3.83Å; Q575-L583 HydrophobicContact CB-CG 4.42Å; V577-L583 HydrophobicContact CG2-CD1 4.03Å
584T92.1Very high88Confident62 Ų6248.2 Ų48.238%0.3826%0.26SS..EExtended strand (participates in β ladder)trans-117.1146.9-179.660.90000111.5Q575 T576 E582 N586Q575-T584 CarbonylContact C-O 3.49Å; Q575-T584 WeakPolarHBondContact CA-O 3.29Å; Q575-T584 WeakPolarHBondContact CB-O 3.16Å; T576-T584 PolarHBondContact N-O 3.45Å; T576-T584 PolarHBondContact O-N 2.84Å; T576-T584 PolarHBondContact O-OG1 3.28Å; E582-T584 HydrophobicContact CB-CG2 4.44Å; T584-N586 PolarHBondContact O-N 3.33Å
585L90.9Very high87.8Confident102 Ų10249.5 Ų49.553%0.53427%0.268SS..EExtended strand (participates in β ladder)trans-74.2115.2167.3176.365.2000107.9T573 Q575T573-L585 HydrophobicContact CG2-CD1 3.35Å; Q575-L585 HydrophobicContact CG-CD1 4.43Å
586N82.7Confident87.6Confident82 Ų8249.8 Ų49.844%0.43927%0.271SS..EExtended strand (participates in β ladder)trans-88.6-57.5-178.1-175.125.2000110.7V574 T576 T584V574-N586 WeakPolarHBondContact O-CB 3.03Å; V574-N586 PolarHBondContact O-N 3.11Å; T576-N586 WeakPolarHBondContact OG1-CB 3.28Å; T584-N586 PolarHBondContact O-N 3.33Å
587Q88.1Confident87.6Confident38 Ų3850 Ų5018%0.17827%0.271CS..EExtended strand (participates in β ladder)trans-154.8159.3-176.659.9-176.16.300113V574 L589 L627 G630V574-Q587 HydrophobicContact CB-CG 3.78Å; V574-Q587 HydrophobicContact CG1-CG 4.39Å; V574-Q587 HydrophobicContact CG2-CG 4Å; V574-Q587 PolarHBondContact N-O 3.32Å; V574-Q587 PolarHBondContact O-N 3.35Å; Q587-L589 HydrophobicContact CG-CD2 4.14Å; Q587-L589 HydrophobicContact CG-CG 4.42Å; Q587-L627 PolarHBondContact NE2-O 3.13Å; Q587-L627 VanDerWaalsContact NE2-O 3.09Å; Q587-G630 VanDerWaalsContact OE1-CA 3.23Å
588E90.8Very high87.7Confident77 Ų7750.3 Ų50.336%0.3627%0.272SS..EExtended strand (participates in β ladder)trans-114.2127.6166.1-67.7-173.815600108.6R569 K571 L572R569-E588 IonicContact NH1-OE1 3.98Å; K571-E588 HydrophobicContact CD-CB 4.17Å; K571-E588 WeakPolarHBondContact CD-OE2 3.23Å; K571-E588 IonicContact NZ-OE2 2.91Å; K571-E588 PolarHBondContact NZ-OE2 3.39Å; L572-E588 CarbonylContact O-C 3.29Å; L572-E588 WeakPolarHBondContact O-CA 3.19Å
589L90.4Very high88Confident10 Ų1050 Ų505%0.05227%0.269CS..EExtended strand (participates in β ladder)trans-107.7141178.8-52.2178.6000109.7K571 L572 V574 Q587 E591 A625 G630 T632K571-L589 CarbonylContact C-O 3.5Å; K571-L589 WeakPolarHBondContact CA-O 3.44Å; L572-L589 HydrophobicContact CB-CB 4.27Å; L572-L589 PolarHBondContact N-O 2.85Å; L572-L589 PolarHBondContact O-N 3.11Å; V574-L589 HydrophobicContact CG2-CD1 4.09Å; V574-L589 HydrophobicContact CG2-CG 4.28Å; Q587-L589 HydrophobicContact CG-CD2 4.14Å; Q587-L589 HydrophobicContact CG-CG 4.42Å; L589-E591 PolarHBondContact O-N 2.65Å; L589-A625 HydrophobicContact CD1-CB 3.88Å; L589-G630 WeakPolarHBondContact CD2-O 3.49Å; L589-T632 HydrophobicContact CB-CG2 4.18Å; L589-T632 HydrophobicContact CD1-CG2 4.28Å
590D86.8Confident88.7Confident115 Ų11547.2 Ų47.262%0.61526%0.257SS*.EExtended strand (participates in β ladder)trans-64.6128.8173.2-67.8-35.5000109.7P592D590-P592 WeakPolarHBondContact O-CD 3.42Å
591E84.2Confident88.9Confident7 Ų743 Ų433%0.03324%0.237CC..  trans-103.995.8178.8-168.3-162157.900108.7S570 L572 L589 I593 V595S570-E591 VanDerWaalsContact C-CB 3.41Å; S570-E591 WeakPolarHBondContact O-CB 3.49Å; S570-E591 PolarHBondContact O-N 2.58Å; L572-E591 HydrophobicContact CD2-CB 4.28Å; L572-E591 HydrophobicContact CD2-CG 3.81Å; L572-E591 HydrophobicContact CG-CB 4.07Å; L572-E591 HydrophobicContact CG-CG 4.02Å; L589-E591 PolarHBondContact O-N 2.65Å; E591-I593 VanDerWaalsContact CG-O 3.28Å; E591-I593 WeakPolarHBondContact CG-O 3.25Å; E591-I593 PolarHBondContact O-N 2.72Å; E591-V595 HydrophobicContact CG-CG2 3.91Å; E591-V595 WeakPolarHBondContact OE1-CB 3.38Å; E591-V595 WeakPolarHBondContact OE1-CG2 3.41Å; E591-V595 PolarHBondContact OE1-N 3.01Å
592P82.4Confident88.8Confident78 Ų7843.2 Ų43.251%0.50624%0.238SC..  trans-78.4-5.1-178.130.2-34.5000113.4D590 L623 V634D590-P592 WeakPolarHBondContact O-CD 3.42Å; P592-L623 HydrophobicContact CG-CD1 4.14Å; P592-V634 HydrophobicContact CB-CG2 4.31Å; P592-V634 HydrophobicContact CG-CG2 3.4Å; P592-V634 VanDerWaalsContact CG-CG2 3.4Å
593I87.4Confident88.3Confident13 Ų1340 Ų407%0.06723%0.225CC..SBendtrans-121.9162.5-175.962.2170.4000110.6E591 V595 A614 D621 L623E591-I593 VanDerWaalsContact CG-O 3.28Å; E591-I593 WeakPolarHBondContact CG-O 3.25Å; E591-I593 PolarHBondContact O-N 2.72Å; I593-V595 HydrophobicContact CD1-CG2 4.1Å; I593-V595 HydrophobicContact CG1-CG2 3.95Å; I593-V595 PolarHBondContact O-N 3.28Å; I593-A614 HydrophobicContact CD1-CB 4.35Å; I593-A614 WeakPolarHBondContact CD1-O 3.49Å; I593-D621 HydrophobicContact CG2-CB 3.56Å; I593-L623 HydrophobicContact CD1-CB 3.67Å; I593-L623 HydrophobicContact CG1-CB 4.21Å
594S87.8Confident87.3Confident67 Ų6740.2 Ų40.247%0.46922%0.224SC..  trans-89.896.8168.6-178.60000108.3S596 S616 G617S594-S596 PolarHBondContact O-N 3.16Å; S594-S616 CarbonylContact O-C 3.55Å; S594-S616 WeakPolarHBondContact O-CA 3.4Å; S594-G617 PolarHBondContact O-N 2.91Å
595V90.6Very high86.2Confident26 Ų2641.4 Ų41.416%0.15823%0.231CC..EExtended strand (participates in β ladder)trans-60.6127.1-174.3170.90000111.6P565 L572 E591 I593 M598 A614P565-V595 HydrophobicContact CB-CB 4.2Å; P565-V595 HydrophobicContact CB-CG1 4.45Å; P565-V595 HydrophobicContact CG-CG1 4.39Å; L572-V595 HydrophobicContact CD2-CG2 4.23Å; E591-V595 HydrophobicContact CG-CG2 3.91Å; E591-V595 WeakPolarHBondContact OE1-CB 3.38Å; E591-V595 WeakPolarHBondContact OE1-CG2 3.41Å; E591-V595 PolarHBondContact OE1-N 3.01Å; I593-V595 HydrophobicContact CD1-CG2 4.1Å; I593-V595 HydrophobicContact CG1-CG2 3.95Å; I593-V595 PolarHBondContact O-N 3.28Å; V595-M598 HydrophobicContact CG1-CE 3.66Å; V595-A614 HydrophobicContact CG1-CB 4.26Å; V595-A614 HydrophobicContact CG2-CB 3.81Å
596S89.8Confident85.3Confident17 Ų1740.8 Ų40.812%0.11923%0.226CC..EExtended strand (participates in β ladder)trans-102.4-45.9174.6162.70000111.9S594 V615 P652 N653 R654S594-S596 PolarHBondContact O-N 3.16Å; S596-V615 PolarHBondContact N-O 2.46Å; S596-P652 WeakPolarHBondContact O-CB 3.29Å; S596-P652 WeakPolarHBondContact OG-CA 3.45Å; S596-P652 WeakPolarHBondContact OG-CB 3.19Å; S596-N653 PolarHBondContact OG-N 3.2Å; S596-R654 PolarHBondContact OG-N 3.11Å; S596-R654 PolarHBondContact OG-O 3.31Å
597D92.3Very high84.5Confident27 Ų2738 Ų3814%0.14421%0.213CC..EExtended strand (participates in β ladder)trans-145.4159.2-179.2-158.46.6000109.2A614 V615 P652 R654 V655 I656D597-A614 WeakPolarHBondContact O-CA 3.39Å; D597-V615 HydrophobicContact CB-CG2 3.72Å; D597-V615 PolarHBondContact O-N 3.37Å; D597-P652 HydrophobicContact CB-CB 3.76Å; D597-P652 HydrophobicContact CB-CG 4.16Å; D597-R654 VanDerWaalsContact CB-O 3.26Å; D597-R654 WeakPolarHBondContact CB-O 3.28Å; D597-V655 WeakPolarHBondContact OD2-CA 3.39Å; D597-I656 HydrophobicContact CB-CG2 4.06Å; D597-I656 PolarHBondContact OD2-N 2.96Å; D597-I656 VanDerWaalsContact OD2-N 3.1Å
598M93.8Very high83.6Confident12 Ų1236.6 Ų36.66%0.05921%0.206CC..EExtended strand (participates in β ladder)trans-148.8150.717565-179.468.700112.1Y554 V563 P565 V595 L612 V613 A614Y554-M598 WeakPolarHBondContact CB-SD 3.34Å; Y554-M598 HydrophobicContact CD1-CG 3.42Å; Y554-M598 VanDerWaalsContact CD1-CG 3.42Å; Y554-M598 HydrophobicContact CD1-SD 3.92Å; Y554-M598 HydrophobicContact CD2-CE 3.56Å; Y554-M598 HydrophobicContact CD2-CG 3.89Å; Y554-M598 HydrophobicContact CD2-SD 3.32Å; Y554-M598 WeakPolarHBondContact CD2-SD 3.46Å; Y554-M598 HydrophobicContact CE1-CG 3.77Å; Y554-M598 HydrophobicContact CE2-CE 3.71Å; Y554-M598 HydrophobicContact CE2-CG 4.21Å; Y554-M598 HydrophobicContact CE2-SD 4Å; Y554-M598 HydrophobicContact CG-CE 4.13Å; Y554-M598 HydrophobicContact CG-CG 3.48Å; Y554-M598 VanDerWaalsContact CG-CG 3.48Å; Y554-M598 HydrophobicContact CG-SD 3.28Å; V563-M598 HydrophobicContact CB-SD 4.25Å; V563-M598 HydrophobicContact CG1-SD 4.2Å; P565-M598 HydrophobicContact CB-CE 4.4Å; P565-M598 HydrophobicContact CG-CE 3.86Å; V595-M598 HydrophobicContact CG1-CE 3.66Å; M598-L612 HydrophobicContact CB-CD1 4.02Å; M598-L612 HydrophobicContact CG-CD1 4.18Å; M598-L612 HydrophobicContact SD-CD1 3.79Å; M598-V613 CarbonylContact C-O 3.58Å; M598-V613 WeakPolarHBondContact CA-O 3.42Å; M598-A614 HydrophobicContact CB-CB 4.08Å
599V93.6Very high83.1Confident27 Ų2734.5 Ų34.516%0.16420%0.197CC..EExtended strand (participates in β ladder)trans-133.2144.317566.10000110V613 I656 L666V599-V613 HydrophobicContact CG1-CB 3.94Å; V599-V613 PolarHBondContact N-O 3.15Å; V599-V613 PolarHBondContact O-N 3.16Å; V599-I656 HydrophobicContact CB-CG2 4.17Å; V599-I656 HydrophobicContact CG1-CG1 3.8Å; V599-I656 HydrophobicContact CG1-CG2 3.95Å; V599-L666 HydrophobicContact CG1-CD2 3.44Å; V599-L666 VanDerWaalsContact CG1-CD2 3.44Å
600F91.8Very high82.8Confident21 Ų2134.5 Ų34.59%0.09220%0.196CC..EExtended strand (participates in β ladder)trans-92.9118.9172.1-60.4-90.7000108.1V555 P557 V563 H610 L612 L627V555-F600 VanDerWaalsContact O-CE2 3.3Å; V555-F600 WeakPolarHBondContact O-CE2 3.36Å; P557-F600 HydrophobicContact CG-CB 4.47Å; V563-F600 HydrophobicContact CB-CZ 4.28Å; V563-F600 HydrophobicContact CG2-CE1 3.75Å; V563-F600 HydrophobicContact CG2-CZ 4Å; F600-H610 HydrophobicContact CD1-CB 4.44Å; F600-L612 HydrophobicContact CD1-CD1 3.97Å; F600-L612 HydrophobicContact CE1-CD1 3.74Å; F600-L612 HydrophobicContact CG-CD1 4.47Å; F600-L612 HydrophobicContact CZ-CD1 4.04Å; F600-L627 HydrophobicContact CD1-CD1 3.87Å; F600-L627 HydrophobicContact CE1-CD1 3.76Å
601Q87.6Confident83Confident1 Ų129.5 Ų29.51%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-106.4128.6172.6-170.7172.527.700108.4F604 H610 M611 G663 Q664 G679Q601-F604 HydrophobicContact CG-CE2 4.12Å; Q601-F604 HydrophobicContact CG-CZ 4.44Å; Q601-H610 CarbonylContact O-C 3.56Å; Q601-H610 WeakPolarHBondContact O-CA 3.2Å; Q601-M611 PolarHBondContact N-O 3.28Å; Q601-M611 PolarHBondContact O-N 3.39Å; Q601-G663 PolarHBondContact NE2-O 3.14Å; Q601-Q664 PolarHBondContact NE2-O 3.02Å; Q601-G679 VanDerWaalsContact OE1-CA 3.29Å
602P80.6Confident83.4Confident10 Ų1029.2 Ų29.27%0.06517%0.168CC..EExtended strand (participates in β ladder)trans-59.2145.8172.8-29.341000111.3F604 L661 F662P602-F604 PolarHBondContact O-N 2.87Å; P602-L661 WeakPolarHBondContact CD-O 3.35Å; P602-L661 WeakPolarHBondContact CG-O 3.32Å; P602-F662 HydrophobicContact CB-CD1 3.88Å; P602-F662 HydrophobicContact CB-CE1 3.84Å; P602-F662 HydrophobicContact CG-CD1 3.7Å; P602-F662 HydrophobicContact CG-CE1 3.56Å; P602-F662 HydrophobicContact CG-CZ 4.48Å
603S78Confident84Confident13 Ų1325.5 Ų25.59%0.09114%0.144CC..  trans-69.2129178.2176.30000110.4T605 E606 Q609S603-T605 PolarHBondContact O-N 3.33Å; S603-T605 PolarHBondContact OG-N 2.85Å; S603-T605 PolarHBondContact OG-OG1 3.49Å; S603-E606 VanDerWaalsContact CB-O 3.3Å; S603-E606 WeakPolarHBondContact CB-O 3.45Å; S603-E606 PolarHBondContact OG-N 3.38Å; S603-Q609 WeakPolarHBondContact CB-O 3.44Å; S603-Q609 PolarHBondContact N-O 3.4Å
604F72.1Confident84.3Confident40 Ų4024.9 Ų24.918%0.17514%0.14CC..SBendtrans-77-8.6171.9-62.5-80.6000112.8A254 Q601 P602 K680A254-F604 VanDerWaalsContact CB-O 3.29Å; A254-F604 WeakPolarHBondContact CB-O 3.39Å; Q601-F604 HydrophobicContact CG-CE2 4.12Å; Q601-F604 HydrophobicContact CG-CZ 4.44Å; P602-F604 PolarHBondContact O-N 2.87Å; F604-K680 HydrophobicContact CB-CB 4.43Å; F604-K680 HydrophobicContact CB-CD 4.26Å; F604-K680 HydrophobicContact CB-CG 3.94Å; F604-K680 HydrophobicContact CD1-CB 4.45Å; F604-K680 HydrophobicContact CD1-CD 4.47Å; F604-K680 HydrophobicContact CD2-CB 3.72Å; F604-K680 HydrophobicContact CD2-CG 4.17Å; F604-K680 HydrophobicContact CE2-CB 4.08Å; F604-K680 HydrophobicContact CG-CB 3.93Å; F604-K680 HydrophobicContact CG-CD 4.3Å; F604-K680 HydrophobicContact CG-CG 3.97Å
605T67.7Low84.6Confident87 Ų8721.7 Ų21.753%0.53412%0.118SC..SBendtrans-118.5-14-173.456.80000113.5A254 S603A254-T605 WeakPolarHBondContact CA-O 3.36Å; S603-T605 PolarHBondContact O-N 3.33Å; S603-T605 PolarHBondContact OG-N 2.85Å; S603-T605 PolarHBondContact OG-OG1 3.49Å
606E72.1Confident84.6Confident89 Ų8920.7 Ų20.742%0.41611%0.112SC..SBendtrans-142.7130.8-178.4-61.8-165.2-154.200110.1S603 Q609S603-E606 VanDerWaalsContact CB-O 3.3Å; S603-E606 WeakPolarHBondContact CB-O 3.45Å; S603-E606 PolarHBondContact OG-N 3.38Å; E606-Q609 HydrophobicContact CB-CB 4.2Å; E606-Q609 HydrophobicContact CB-CG 4.04Å; E606-Q609 VanDerWaalsContact CD-OE1 3.29Å; E606-Q609 PolarHBondContact OE2-NE2 2.8Å; E606-Q609 PolarHBondContact OE2-OE1 3.18Å
607S67.8Low84.4Confident24 Ų2420.3 Ų20.317%0.16811%0.112CC..THydrogen-bonded Turntrans-67.3140.9178.456.60000111.4N255 Q609N255-S607 PolarHBondContact ND2-OG 2.92Å; S607-Q609 PolarHBondContact O-N 3.45Å
608N69.1Low84.1Confident7 Ų723.4 Ų23.44%0.03714%0.135CC..THydrogen-bonded Turntrans57.131.7174.6-51.9-33.8000114.2H224 A225 D230 R560H224-N608 PolarHBondContact CE1-OD1 3.21Å; A225-N608 PolarHBondContact O-OD1 3.23Å; D230-N608 WeakPolarHBondContact CB-ND2 3.38Å; D230-N608 VanDerWaalsContact OD2-CB 3.31Å; D230-N608 WeakPolarHBondContact OD2-CB 3.14Å; D230-N608 PolarHBondContact OD2-ND2 2.95Å; R560-N608 PolarHBondContact NH1-O 2.91Å
609Q79.4Confident83.8Confident34 Ų3423.9 Ų23.916%0.15914%0.143CC..  trans-118.9151.7171.3-67.4-169.1300110.3S603 E606 S607 S628S603-Q609 WeakPolarHBondContact CB-O 3.44Å; S603-Q609 PolarHBondContact N-O 3.4Å; E606-Q609 HydrophobicContact CB-CB 4.2Å; E606-Q609 HydrophobicContact CB-CG 4.04Å; E606-Q609 VanDerWaalsContact CD-OE1 3.29Å; E606-Q609 PolarHBondContact OE2-NE2 2.8Å; E606-Q609 PolarHBondContact OE2-OE1 3.18Å; S607-Q609 PolarHBondContact O-N 3.45Å; Q609-S628 VanDerWaalsContact CD-CB 3.44Å; Q609-S628 VanDerWaalsContact CD-OG 3.22Å; Q609-S628 PolarHBondContact NE2-OG 3.13Å; Q609-S628 PolarHBondContact OE1-OG 3.24Å
610H85.1Confident83.6Confident9 Ų924.5 Ų24.54%0.04215%0.148CC..EExtended strand (participates in β ladder)trans-122.5131.6-179.1-71.886.9000110.1D558 F600 Q601 L627D558-H610 IonicContact OD1-CE1 3.78Å; D558-H610 IonicContact OD1-ND1 2.7Å; D558-H610 IonicContact OD2-CE1 3.73Å; D558-H610 PolarHBondContact OD2-CE1 2.91Å; D558-H610 IonicContact OD2-ND1 3.71Å; D558-H610 PolarHBondContact OD2-ND1 2.76Å; F600-H610 HydrophobicContact CD1-CB 4.44Å; Q601-H610 CarbonylContact O-C 3.56Å; Q601-H610 WeakPolarHBondContact O-CA 3.2Å; H610-L627 HydrophobicContact CB-CD1 4.23Å; H610-L627 PolarHBondContact O-N 2.82Å
611M89.1Confident83.5Confident10 Ų1025.5 Ų25.55%0.04916%0.155CC..EExtended strand (participates in β ladder)trans-86.5125.3161.3-67.7-59.9-53.900108.4Q601 F624 D626Q601-M611 PolarHBondContact N-O 3.28Å; Q601-M611 PolarHBondContact O-N 3.39Å; M611-F624 HydrophobicContact CE-CB 4.3Å; M611-D626 HydrophobicContact CE-CB 3.91Å; M611-D626 VanDerWaalsContact SD-CA 3.6Å; M611-D626 HydrophobicContact SD-CB 3.58Å; M611-D626 VanDerWaalsContact SD-CB 3.58Å
612L93.3Very high83.8Confident1 Ų125.5 Ų25.51%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-84.5130.4168.6-176.677000109.3V563 L572 M598 F600 F624 A625 L627V563-L612 HydrophobicContact CB-CD2 4.48Å; V563-L612 HydrophobicContact CG1-CD2 3.78Å; V563-L612 HydrophobicContact CG2-CD1 4.42Å; V563-L612 HydrophobicContact CG2-CD2 4.37Å; L572-L612 HydrophobicContact CD1-CD2 3.7Å; M598-L612 HydrophobicContact CB-CD1 4.02Å; M598-L612 HydrophobicContact CG-CD1 4.18Å; M598-L612 HydrophobicContact SD-CD1 3.79Å; F600-L612 HydrophobicContact CD1-CD1 3.97Å; F600-L612 HydrophobicContact CE1-CD1 3.74Å; F600-L612 HydrophobicContact CG-CD1 4.47Å; F600-L612 HydrophobicContact CZ-CD1 4.04Å; L612-F624 CarbonylContact O-C 3.6Å; L612-F624 WeakPolarHBondContact O-CA 3.39Å; L612-A625 HydrophobicContact CB-CB 4.25Å; L612-A625 HydrophobicContact CD2-CB 4.5Å; L612-A625 PolarHBondContact N-O 2.98Å; L612-A625 PolarHBondContact O-N 3.33Å; L612-L627 HydrophobicContact CB-CD1 4.32Å; L612-L627 HydrophobicContact CB-CD2 3.94Å; L612-L627 HydrophobicContact CB-CG 4.15Å; L612-L627 HydrophobicContact CD2-CD2 4.45Å
613V94.3Very high84.4Confident0 Ų025 Ų250%015%0.152CC..EExtended strand (participates in β ladder)trans-116.4115.8172-170.30000108.2M598 V599 L622 L623 F624 I656 L666M598-V613 CarbonylContact C-O 3.58Å; M598-V613 WeakPolarHBondContact CA-O 3.42Å; V599-V613 HydrophobicContact CG1-CB 3.94Å; V599-V613 PolarHBondContact N-O 3.15Å; V599-V613 PolarHBondContact O-N 3.16Å; V613-L622 HydrophobicContact CG1-CD1 4.06Å; V613-L622 HydrophobicContact CG1-CD2 3.52Å; V613-L622 HydrophobicContact CG1-CG 4Å; V613-L623 CarbonylContact C-O 3.48Å; V613-L623 WeakPolarHBondContact CA-O 3.42Å; V613-F624 HydrophobicContact CB-CE1 4.45Å; V613-F624 HydrophobicContact CG1-CD1 4.32Å; V613-F624 HydrophobicContact CG1-CE1 3.99Å; V613-F624 HydrophobicContact CG1-CZ 4.3Å; V613-F624 HydrophobicContact CG2-CD1 3.69Å; V613-F624 HydrophobicContact CG2-CE1 3.63Å; V613-I656 HydrophobicContact CG1-CG1 4.35Å; V613-L666 HydrophobicContact CG1-CD1 4.27Å; V613-L666 HydrophobicContact CG2-CD1 3.99Å; V613-L666 HydrophobicContact CG2-CD2 4.49Å
614A94.3Very high85.1Confident0 Ų024.5 Ų24.50%015%0.148CC..EExtended strand (participates in β ladder)trans-119.5138.3-178.700000111.3I593 V595 D597 M598 L622 L623I593-A614 HydrophobicContact CD1-CB 4.35Å; I593-A614 WeakPolarHBondContact CD1-O 3.49Å; V595-A614 HydrophobicContact CG1-CB 4.26Å; V595-A614 HydrophobicContact CG2-CB 3.81Å; D597-A614 WeakPolarHBondContact O-CA 3.39Å; M598-A614 HydrophobicContact CB-CB 4.08Å; A614-L622 WeakPolarHBondContact O-CA 3.03Å; A614-L623 HydrophobicContact CB-CB 4.38Å; A614-L623 PolarHBondContact N-O 3.16Å; A614-L623 PolarHBondContact O-N 2.7Å
615V93.7Very high86.1Confident0 Ų022.6 Ų22.60%014%0.14CC..EExtended strand (participates in β ladder)trans-112.1144.6-177.8-710000112.2S596 D597 L622 R654 I656S596-V615 PolarHBondContact N-O 2.46Å; D597-V615 HydrophobicContact CB-CG2 3.72Å; D597-V615 PolarHBondContact O-N 3.37Å; V615-L622 HydrophobicContact CG1-CB 4.49Å; V615-L622 HydrophobicContact CG1-CD1 3.73Å; V615-L622 HydrophobicContact CG1-CG 3.94Å; V615-R654 HydrophobicContact CB-CG 4.28Å; V615-R654 HydrophobicContact CG2-CB 4.3Å; V615-R654 HydrophobicContact CG2-CG 4.17Å; V615-R654 WeakPolarHBondContact CG2-O 3.31Å; V615-I656 HydrophobicContact CG1-CB 3.79Å; V615-I656 HydrophobicContact CG1-CD1 4.04Å; V615-I656 HydrophobicContact CG1-CG1 4.15Å; V615-I656 HydrophobicContact CG1-CG2 4.38Å; V615-I656 HydrophobicContact CG2-CB 3.96Å; V615-I656 HydrophobicContact CG2-CG2 4Å
616S91.6Very high87.1Confident5 Ų519.2 Ų19.24%0.03512%0.118CC..EExtended strand (participates in β ladder)trans-77.2136.2179.2-171.50000112.3S594 S618 G619 D621 R654S594-S616 CarbonylContact O-C 3.55Å; S594-S616 WeakPolarHBondContact O-CA 3.4Å; S616-S618 VanDerWaalsContact C-N 3.35Å; S616-S618 PolarHBondContact OG-N 3.38Å; S616-G619 WeakPolarHBondContact OG-CA 3.12Å; S616-G619 PolarHBondContact OG-N 3.44Å; S616-D621 VanDerWaalsContact CB-O 3.32Å; S616-D621 WeakPolarHBondContact CB-O 3.42Å; S616-D621 PolarHBondContact N-O 2.78Å; S616-R654 WeakPolarHBondContact O-CB 3.47Å; S616-R654 VanDerWaalsContact O-CD 3.24Å; S616-R654 WeakPolarHBondContact O-CD 3.32Å
617G85.9Confident88Confident10 Ų1015 Ų1510%0.10310%0.098CC..SBendtrans-78.7-14.917400000114.6S594 N653S594-G617 PolarHBondContact O-N 2.91Å; G617-N653 PolarHBondContact O-ND2 3.42Å
618S85.5Confident88.7Confident92 Ų9215.9 Ų15.964%0.64311%0.105SC*.SBendtrans-134-10.9-176.860.80000113.8S616S616-S618 VanDerWaalsContact C-N 3.35Å; S616-S618 PolarHBondContact OG-N 3.38Å
619G87.6Confident89.5Confident21 Ų2119 Ų1922%0.21613%0.127CC..SBendtrans-116.7174.3-176.400000113.4S616 D621 P641 R654S616-G619 WeakPolarHBondContact OG-CA 3.12Å; S616-G619 PolarHBondContact OG-N 3.44Å; G619-D621 VanDerWaalsContact C-N 3.34Å; G619-P641 WeakPolarHBondContact O-CD 3.12Å; G619-R654 PolarHBondContact O-NH1 3.18Å
620S89.3Confident89.8Confident40 Ų4018.4 Ų18.428%0.2813%0.13SC..SBendtrans-88.40.3174.341.10000113.8L638S620-L638 WeakPolarHBondContact CB-O 3.45Å; S620-L638 WeakPolarHBondContact O-CB 3.42Å; S620-L638 WeakPolarHBondContact O-CG 3.24Å; S620-L638 PolarHBondContact O-N 3.42Å
621D90.4Very high90Very high43 Ų4320.7 Ų20.723%0.2315%0.147CC..  trans-93.6149.6-173.3-64.4-21.1000111.7I593 S616 G619 V634 L635I593-D621 HydrophobicContact CG2-CB 3.56Å; S616-D621 VanDerWaalsContact CB-O 3.32Å; S616-D621 WeakPolarHBondContact CB-O 3.42Å; S616-D621 PolarHBondContact N-O 2.78Å; G619-D621 VanDerWaalsContact C-N 3.34Å; D621-V634 HydrophobicContact CB-CG1 3.87Å; D621-L635 WeakPolarHBondContact CA-O 3.39Å
622L92.3Very high90.1Very high0 Ų023.4 Ų23.40%016%0.164CC..EExtended strand (participates in β ladder)trans-131137.1175179.3164.1000108.8V613 A614 V615 F624 V634 L635 L638 I656 L677V613-L622 HydrophobicContact CG1-CD1 4.06Å; V613-L622 HydrophobicContact CG1-CD2 3.52Å; V613-L622 HydrophobicContact CG1-CG 4Å; A614-L622 WeakPolarHBondContact O-CA 3.03Å; V615-L622 HydrophobicContact CG1-CB 4.49Å; V615-L622 HydrophobicContact CG1-CD1 3.73Å; V615-L622 HydrophobicContact CG1-CG 3.94Å; L622-F624 HydrophobicContact CD2-CD2 3.53Å; L622-F624 HydrophobicContact CD2-CE1 4.41Å; L622-F624 HydrophobicContact CD2-CE2 3.27Å; L622-F624 HydrophobicContact CD2-CG 4.21Å; L622-F624 HydrophobicContact CD2-CZ 3.76Å; L622-V634 CarbonylContact O-C 3.55Å; L622-V634 WeakPolarHBondContact O-CA 3.27Å; L622-L635 PolarHBondContact N-O 2.82Å; L622-L635 PolarHBondContact O-N 2.98Å; L622-L638 HydrophobicContact CB-CD1 3.82Å; L622-L638 HydrophobicContact CD1-CD1 4.19Å; L622-I656 HydrophobicContact CD1-CD1 4.38Å; L622-L677 HydrophobicContact CD1-CD1 3.22Å
623L93.6Very high90Very high1 Ų127.8 Ų27.81%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-106.2122.7-177175.969.9000109.9L572 P592 I593 V613 A614 T632 V634L572-L623 HydrophobicContact CD1-CD2 3.65Å; P592-L623 HydrophobicContact CG-CD1 4.14Å; I593-L623 HydrophobicContact CD1-CB 3.67Å; I593-L623 HydrophobicContact CG1-CB 4.21Å; V613-L623 CarbonylContact C-O 3.48Å; V613-L623 WeakPolarHBondContact CA-O 3.42Å; A614-L623 HydrophobicContact CB-CB 4.38Å; A614-L623 PolarHBondContact N-O 3.16Å; A614-L623 PolarHBondContact O-N 2.7Å; L623-T632 HydrophobicContact CD1-CG2 4.35Å; L623-V634 HydrophobicContact CD1-CG2 3.99Å
624F93.3Very high89.9Confident2 Ų229.8 Ų29.81%0.00920%0.197CC..EExtended strand (participates in β ladder)trans-95.2131.9161-69-88.5000108.4M611 L612 V613 L622 T632 E633 L635 L666 R682M611-F624 HydrophobicContact CE-CB 4.3Å; L612-F624 CarbonylContact O-C 3.6Å; L612-F624 WeakPolarHBondContact O-CA 3.39Å; V613-F624 HydrophobicContact CB-CE1 4.45Å; V613-F624 HydrophobicContact CG1-CD1 4.32Å; V613-F624 HydrophobicContact CG1-CE1 3.99Å; V613-F624 HydrophobicContact CG1-CZ 4.3Å; V613-F624 HydrophobicContact CG2-CD1 3.69Å; V613-F624 HydrophobicContact CG2-CE1 3.63Å; L622-F624 HydrophobicContact CD2-CD2 3.53Å; L622-F624 HydrophobicContact CD2-CE1 4.41Å; L622-F624 HydrophobicContact CD2-CE2 3.27Å; L622-F624 HydrophobicContact CD2-CG 4.21Å; L622-F624 HydrophobicContact CD2-CZ 3.76Å; F624-T632 CarbonylContact O-C 3.59Å; F624-T632 WeakPolarHBondContact O-CA 3.46Å; F624-E633 HydrophobicContact CB-CB 4.38Å; F624-E633 PolarHBondContact N-O 3.29Å; F624-E633 PolarHBondContact O-N 3.02Å; F624-L635 HydrophobicContact CD2-CB 4.49Å; F624-L635 HydrophobicContact CE2-CB 4.17Å; F624-L635 HydrophobicContact CE2-CD2 4.3Å; F624-L666 HydrophobicContact CE1-CD1 4.32Å; F624-R682 HydrophobicContact CD1-CB 4.45Å; F624-R682 HydrophobicContact CD1-CG 4.22Å; F624-R682 HydrophobicContact CD2-CB 4.29Å; F624-R682 HydrophobicContact CE1-CB 4.38Å; F624-R682 HydrophobicContact CE1-CG 4.36Å; F624-R682 HydrophobicContact CE2-CB 4.2Å; F624-R682 HydrophobicContact CG-CB 4.41Å; F624-R682 HydrophobicContact CG-CG 4.47Å; F624-R682 HydrophobicContact CZ-CB 4.26Å
625A92.4Very high89.7Confident0 Ų031 Ų310%020%0.203CC..EExtended strand (participates in β ladder)trans-135.9122.6177.100000110L589 L612 L627 S631 T632L589-A625 HydrophobicContact CD1-CB 3.88Å; L612-A625 HydrophobicContact CB-CB 4.25Å; L612-A625 HydrophobicContact CD2-CB 4.5Å; L612-A625 PolarHBondContact N-O 2.98Å; L612-A625 PolarHBondContact O-N 3.33Å; A625-L627 PolarHBondContact O-N 3.33Å; A625-S631 WeakPolarHBondContact CA-O 3.18Å; A625-T632 HydrophobicContact CB-CG2 3.97Å
626D89.9Confident89.5Confident15 Ų1539.4 Ų39.48%0.0824%0.235CC..EExtended strand (participates in β ladder)trans-81116172.9-178.2-13.7000109.1M611 S628 S629 G630 S631M611-D626 HydrophobicContact CE-CB 3.91Å; M611-D626 VanDerWaalsContact SD-CA 3.6Å; M611-D626 HydrophobicContact SD-CB 3.58Å; M611-D626 VanDerWaalsContact SD-CB 3.58Å; D626-S628 VanDerWaalsContact C-N 3.27Å; D626-S628 PolarHBondContact O-N 3.17Å; D626-S628 PolarHBondContact OD1-N 3.19Å; D626-S628 PolarHBondContact OD1-OG 3.03Å; D626-S629 VanDerWaalsContact CB-OG 3.26Å; D626-S629 WeakPolarHBondContact CB-OG 3.24Å; D626-S629 PolarHBondContact OD1-N 3Å; D626-S629 WeakPolarHBondContact OD2-CB 3.49Å; D626-S629 PolarHBondContact OD2-OG 3.21Å; D626-G630 WeakPolarHBondContact O-CA 3.39Å; D626-G630 PolarHBondContact O-N 3.01Å; D626-S631 WeakPolarHBondContact CB-OG 3.47Å; D626-S631 PolarHBondContact N-O 3.4Å
627L89.4Confident89Confident0 Ų044.5 Ų44.50%027%0.271CS..THydrogen-bonded Turntrans-75.9-15.7-175.3-59.6-179.4000113.3Y561 V563 V574 Q587 F600 H610 L612 A625Y561-L627 HydrophobicContact CD1-CB 3.91Å; Y561-L627 HydrophobicContact CD1-CD1 4.2Å; Y561-L627 HydrophobicContact CD2-CD1 4.23Å; Y561-L627 HydrophobicContact CE1-CB 3.86Å; Y561-L627 HydrophobicContact CG-CB 4.29Å; Y561-L627 HydrophobicContact CG-CD1 3.85Å; V563-L627 HydrophobicContact CG2-CD1 4.11Å; V563-L627 HydrophobicContact CG2-CD2 3.96Å; V574-L627 HydrophobicContact CG1-CD2 4.26Å; V574-L627 HydrophobicContact CG2-CD2 3.99Å; Q587-L627 PolarHBondContact NE2-O 3.13Å; Q587-L627 VanDerWaalsContact NE2-O 3.09Å; F600-L627 HydrophobicContact CD1-CD1 3.87Å; F600-L627 HydrophobicContact CE1-CD1 3.76Å; H610-L627 HydrophobicContact CB-CD1 4.23Å; H610-L627 PolarHBondContact O-N 2.82Å; L612-L627 HydrophobicContact CB-CD1 4.32Å; L612-L627 HydrophobicContact CB-CD2 3.94Å; L612-L627 HydrophobicContact CB-CG 4.15Å; L612-L627 HydrophobicContact CD2-CD2 4.45Å; A625-L627 PolarHBondContact O-N 3.33Å
628S83.9Confident89Confident43 Ų4344.5 Ų44.530%0.30127%0.268SS..THydrogen-bonded Turntrans-88.3-46.8177.277.70000111.4Q609 D626Q609-S628 VanDerWaalsContact CD-CB 3.44Å; Q609-S628 VanDerWaalsContact CD-OG 3.22Å; Q609-S628 PolarHBondContact NE2-OG 3.13Å; Q609-S628 PolarHBondContact OE1-OG 3.24Å; D626-S628 VanDerWaalsContact C-N 3.27Å; D626-S628 PolarHBondContact O-N 3.17Å; D626-S628 PolarHBondContact OD1-N 3.19Å; D626-S628 PolarHBondContact OD1-OG 3.03Å
629S85.4Confident89.4Confident73 Ų7343 Ų4351%0.5125%0.25SS..THydrogen-bonded Turntrans-89.4-19.7-177.368.80000113.9D626 S631D626-S629 VanDerWaalsContact CB-OG 3.26Å; D626-S629 WeakPolarHBondContact CB-OG 3.24Å; D626-S629 PolarHBondContact OD1-N 3Å; D626-S629 WeakPolarHBondContact OD2-CB 3.49Å; D626-S629 PolarHBondContact OD2-OG 3.21Å; S629-S631 PolarHBondContact O-N 3.35Å; S629-S631 PolarHBondContact OG-N 2.8Å; S629-S631 PolarHBondContact OG-OG 3.41Å
630G86.7Confident89.6Confident21 Ų2148.7 Ų48.722%0.21627%0.271CS..  trans72.49.6-173.100000113.9Q587 L589 D626Q587-G630 VanDerWaalsContact OE1-CA 3.23Å; L589-G630 WeakPolarHBondContact CD2-O 3.49Å; D626-G630 WeakPolarHBondContact O-CA 3.39Å; D626-G630 PolarHBondContact O-N 3.01Å
631S88.8Confident89.6Confident57 Ų5747.4 Ų47.440%0.39926%0.261SS..  trans-72.7139.7176.2650000111.2A625 D626 S629A625-S631 WeakPolarHBondContact CA-O 3.18Å; D626-S631 WeakPolarHBondContact CB-OG 3.47Å; D626-S631 PolarHBondContact N-O 3.4Å; S629-S631 PolarHBondContact O-N 3.35Å; S629-S631 PolarHBondContact OG-N 2.8Å; S629-S631 PolarHBondContact OG-OG 3.41Å
632T91.1Very high89.4Confident67 Ų6746.3 Ų46.341%0.41126%0.255SS..EExtended strand (participates in β ladder)trans-124.8142.9178.659.30000111.2L589 L623 F624 A625L589-T632 HydrophobicContact CB-CG2 4.18Å; L589-T632 HydrophobicContact CD1-CG2 4.28Å; L623-T632 HydrophobicContact CD1-CG2 4.35Å; F624-T632 CarbonylContact O-C 3.59Å; F624-T632 WeakPolarHBondContact O-CA 3.46Å; A625-T632 HydrophobicContact CB-CG2 3.97Å
633E91.6Very high89.1Confident94 Ų9448.9 Ų48.944%0.43928%0.277SS..EExtended strand (participates in β ladder)trans-135.9134177.4-178174.5-171.100109.2F624 R682F624-E633 HydrophobicContact CB-CB 4.38Å; F624-E633 PolarHBondContact N-O 3.29Å; F624-E633 PolarHBondContact O-N 3.02Å; E633-R682 IonicContact OE2-NH1 3.52Å
634V91.6Very high88.5Confident42 Ų4251.2 Ų51.226%0.25530%0.296SS..EExtended strand (participates in β ladder)trans-109.6113.6179.1-176.60000109.2P592 D621 L622 L623 R636P592-V634 HydrophobicContact CB-CG2 4.31Å; P592-V634 HydrophobicContact CG-CG2 3.4Å; P592-V634 VanDerWaalsContact CG-CG2 3.4Å; D621-V634 HydrophobicContact CB-CG1 3.87Å; L622-V634 CarbonylContact O-C 3.55Å; L622-V634 WeakPolarHBondContact O-CA 3.27Å; L623-V634 HydrophobicContact CD1-CG2 3.99Å; V634-R636 HydrophobicContact CG1-CG 4.09Å; V634-R636 PolarHBondContact O-N 3.45Å
635L90.7Very high87.9Confident26 Ų2658.8 Ų58.814%0.13633%0.332CS..EExtended strand (participates in β ladder)trans-79.9116.7168.9-175.766.8000108.9D621 L622 F624 L677 P684D621-L635 WeakPolarHBondContact CA-O 3.39Å; L622-L635 PolarHBondContact N-O 2.82Å; L622-L635 PolarHBondContact O-N 2.98Å; F624-L635 HydrophobicContact CD2-CB 4.49Å; F624-L635 HydrophobicContact CE2-CB 4.17Å; F624-L635 HydrophobicContact CE2-CD2 4.3Å; L635-L677 HydrophobicContact CD2-CD2 3.98Å; L635-P684 HydrophobicContact CD1-CG 4.2Å; L635-P684 HydrophobicContact CD2-CG 4.09Å
636R87.8Confident87.2Confident176 Ų17661 Ų6166%0.66435%0.349SS*.  trans-99.2171.8179.5-60-171.6179.7177.6-0110.9V634V634-R636 HydrophobicContact CG1-CG 4.09Å; V634-R636 PolarHBondContact O-N 3.45Å
637S81.9Confident86.7Confident112 Ų11261.9 Ų61.978%0.78335%0.352SS*.  trans73.422.5171.7-52.30000115.9
638L86.7Confident85.8Confident10 Ų1064.7 Ų64.75%0.05237%0.37CS..  trans-71.2179.4158-46170.6000109.3S620 L622 R654 T668 F675 L677S620-L638 WeakPolarHBondContact CB-O 3.45Å; S620-L638 WeakPolarHBondContact O-CB 3.42Å; S620-L638 WeakPolarHBondContact O-CG 3.24Å; S620-L638 PolarHBondContact O-N 3.42Å; L622-L638 HydrophobicContact CB-CD1 3.82Å; L622-L638 HydrophobicContact CD1-CD1 4.19Å; L638-R654 VanDerWaalsContact CD1-NH2 3.27Å; L638-T668 HydrophobicContact CD1-CG2 4.43Å; L638-F675 HydrophobicContact CB-CD2 4.46Å; L638-F675 HydrophobicContact CB-CE2 4.28Å; L638-F675 HydrophobicContact CB-CZ 4.37Å; L638-F675 HydrophobicContact CD2-CB 4.31Å; L638-F675 HydrophobicContact CD2-CD1 3.6Å; L638-F675 HydrophobicContact CD2-CD2 4.33Å; L638-F675 HydrophobicContact CD2-CE1 3.96Å; L638-F675 HydrophobicContact CD2-CG 3.81Å; L638-F675 HydrophobicContact CD2-CZ 4.47Å; L638-L677 HydrophobicContact CD2-CD2 4.33Å
639K92.6Very high85.4Confident61 Ų6163.1 Ų63.127%0.26536%0.358SS..PPolyproline II helixtrans-96.3163.3171.9-67.2178.4-177.3175.70111.7R654 E672 F675 E687K639-R654 PolarHBondContact O-NH1 3.45Å; K639-E672 HydrophobicContact CD-CB 3.84Å; K639-E672 HydrophobicContact CD-CG 4.37Å; K639-E672 WeakPolarHBondContact CD-OE2 3.37Å; K639-E672 WeakPolarHBondContact CE-OE2 2.93Å; K639-E672 IonicContact NZ-OE2 2.69Å; K639-E672 PolarHBondContact NZ-OE2 2.91Å; K639-E672 VanDerWaalsContact NZ-OE2 3.13Å; K639-F675 HydrophobicContact CB-CE2 4.04Å; K639-F675 HydrophobicContact CB-CZ 4.29Å; K639-F675 HydrophobicContact CD-CZ 4.35Å; K639-F675 HydrophobicContact CG-CE2 4.23Å; K639-F675 HydrophobicContact CG-CZ 3.99Å; K639-E687 WeakPolarHBondContact CE-OE1 3.39Å; K639-E687 IonicContact NZ-OE1 2.95Å; K639-E687 PolarHBondContact NZ-OE1 3.25Å
640E91.2Very high84.6Confident140 Ų14062 Ų6265%0.65436%0.358SS*.PPolyproline II helixtrans-63.9140.9-179.7-67.2-177.2174.900111.4S670 V671E640-S670 WeakPolarHBondContact O-CB 3.31Å; E640-V671 WeakPolarHBondContact O-CG2 3.01Å; E640-V671 PolarHBondContact O-N 3.36Å
641P90.3Very high83.6Confident12 Ų1263.7 Ų63.78%0.07838%0.375CS..PPolyproline II helixtrans-70.8169.1172.329.4-33.2000111.8G619 A643 R654 V671G619-P641 WeakPolarHBondContact O-CD 3.12Å; P641-A643 PolarHBondContact O-N 2.86Å; P641-R654 HydrophobicContact CB-CB 3.77Å; P641-R654 HydrophobicContact CB-CG 4.01Å; P641-R654 HydrophobicContact CG-CB 4.38Å; P641-V671 VanDerWaalsContact O-CG2 3.26Å; P641-V671 WeakPolarHBondContact O-CG2 3.25Å
642L87.1Confident82.7Confident20 Ų2063.4 Ų63.411%0.10537%0.371CS..PPolyproline II helixtrans-57.5140.4169.2-75.2161.5000110N653 V671 R693 A694 N695L642-N653 PolarHBondContact O-ND2 3.32Å; L642-N653 PolarHBondContact O-OD1 2.99Å; L642-V671 HydrophobicContact CD2-CG2 4.11Å; L642-V671 HydrophobicContact CG-CG2 4.27Å; L642-R693 HydrophobicContact CD2-CB 4.08Å; L642-R693 HydrophobicContact CD2-CG 4.09Å; L642-A694 WeakPolarHBondContact CD1-O 3.43Å; L642-N695 HydrophobicContact CD1-CB 3.92Å
643A85.1Confident82.1Confident55 Ų5562.2 Ų62.246%0.45536%0.363SS..PPolyproline II helixtrans-65.2140.4175.600000110.3P641 Q645 A646P641-A643 PolarHBondContact O-N 2.86Å; A643-Q645 PolarHBondContact O-N 2.01Å; A643-A646 WeakPolarHBondContact O-CA 3.43Å; A643-A646 VanDerWaalsContact O-CB 3.23Å; A643-A646 WeakPolarHBondContact O-CB 3.11Å; A643-A646 PolarHBondContact O-N 3.47Å
644A80.4Confident82.1Confident49 Ų4958 Ų5841%0.40534%0.343SS..G310 helixtrans-55.3-30.2-176.900000113.8A646 W647 N653A644-A646 PolarHBondContact O-N 3.15Å; A644-W647 CarbonylContact O-C 3.5Å; A644-W647 WeakPolarHBondContact O-CA 3.32Å; A644-W647 PolarHBondContact O-N 3.2Å; A644-N653 WeakPolarHBondContact CA-OD1 2.92Å; A644-N653 PolarHBondContact N-ND2 2.7Å; A644-N653 PolarHBondContact N-OD1 3Å
645Q80.8Confident82.1Confident162 Ų16257.2 Ų57.276%0.75734%0.338SS*.G310 helixtrans-67.3-22.2177.3-57.9806.500112.8A643 W647A643-Q645 PolarHBondContact O-N 2.01Å; Q645-W647 PolarHBondContact O-N 2.86Å
646A78.8Confident82.3Confident45 Ų4556.3 Ų56.337%0.37233%0.333SS..G310 helixtrans-74.3-10.1171.800000112.3A643 A644A643-A646 WeakPolarHBondContact O-CA 3.43Å; A643-A646 VanDerWaalsContact O-CB 3.23Å; A643-A646 WeakPolarHBondContact O-CB 3.11Å; A643-A646 PolarHBondContact O-N 3.47Å; A644-A646 PolarHBondContact O-N 3.15Å
647W78.2Confident82.6Confident34 Ų3449.4 Ų49.413%0.12931%0.31CS..  trans-129.769.1-177.6-154.5-111.2000112.4W364 S365 A644 Q645 W649 G650 N695W364-W647 HydrophobicContact CB-CH2 4.31Å; W364-W647 WeakPolarHBondContact O-CH2 3.49Å; W364-W647 WeakPolarHBondContact O-CZ3 3.44Å; S365-W647 VanDerWaalsContact CA-CZ2 3.42Å; A644-W647 CarbonylContact O-C 3.5Å; A644-W647 WeakPolarHBondContact O-CA 3.32Å; A644-W647 PolarHBondContact O-N 3.2Å; Q645-W647 PolarHBondContact O-N 2.86Å; W647-W649 AromaticContact CD2-CD1 3.71Å; W647-W649 AromaticContact CE2-CD1 3.88Å; W647-W649 AromaticContact CE3-CD1 3.81Å; W647-W649 PolarHBondContact O-N 3.01Å; W647-W649 VanDerWaalsContact O-N 3.12Å; W647-G650 PolarHBondContact O-N 2.84Å; W647-N695 HydrophobicContact CE3-CB 4.35Å; W647-N695 HydrophobicContact CH2-CB 3.7Å; W647-N695 WeakPolarHBondContact CH2-ND2 3.39Å; W647-N695 HydrophobicContact CZ2-CB 4.22Å; W647-N695 HydrophobicContact CZ3-CB 3.89Å; W647-N695 WeakPolarHBondContact CZ3-ND2 3.48Å
648P71.5Confident83Confident60 Ų6044.7 Ų44.739%0.3928%0.278SS..THydrogen-bonded Turntrans-70.5-10.1-17432-37.4000113.4W422 M425 G650W422-P648 WeakPolarHBondContact CH2-O 3.32Å; M425-P648 HydrophobicContact CE-CB 3.65Å; M425-P648 HydrophobicContact CE-CG 3.68Å; P648-G650 PolarHBondContact O-N 3.38Å
649W74.6Confident83Confident10 Ų1044.6 Ų44.64%0.03828%0.278CS..THydrogen-bonded Turntrans-69.5-14.6-179.5-38.8121.2000113.8V363 S365 P380 L381 F404 V406 W422 M425 W647V363-W649 HydrophobicContact CG1-CZ2 4.01Å; S365-W649 WeakPolarHBondContact OG-CB 3.46Å; P380-W649 HydrophobicContact CB-CD2 3.99Å; P380-W649 HydrophobicContact CB-CE3 4Å; P380-W649 HydrophobicContact CB-CH2 3.84Å; P380-W649 HydrophobicContact CB-CZ2 3.77Å; P380-W649 HydrophobicContact CB-CZ3 3.92Å; P380-W649 HydrophobicContact CG-CD2 4.03Å; P380-W649 HydrophobicContact CG-CE3 4.49Å; P380-W649 HydrophobicContact CG-CG 4.39Å; P380-W649 HydrophobicContact CG-CZ2 4.25Å; L381-W649 HydrophobicContact CD2-CH2 3.49Å; L381-W649 VanDerWaalsContact CD2-CH2 3.49Å; L381-W649 HydrophobicContact CD2-CZ2 3.77Å; L381-W649 HydrophobicContact CG-CH2 4.21Å; L381-W649 HydrophobicContact CG-CZ2 4.05Å; F404-W649 HydrophobicContact CB-CZ3 4.41Å; F404-W649 HydrophobicContact CD1-CE3 4.25Å; F404-W649 AromaticContact CD1-CH2 3.56Å; F404-W649 HydrophobicContact CD1-CH2 3.56Å; F404-W649 AromaticContact CD1-CZ3 3.2Å; F404-W649 HydrophobicContact CD1-CZ3 3.2Å; F404-W649 AromaticContact CE1-CH2 3.7Å; F404-W649 HydrophobicContact CE1-CH2 3.7Å; F404-W649 AromaticContact CE1-CZ3 3.7Å; F404-W649 HydrophobicContact CE1-CZ3 3.7Å; F404-W649 HydrophobicContact CG-CZ3 4.14Å; V406-W649 HydrophobicContact CB-CB 4.18Å; V406-W649 HydrophobicContact CG1-CB 3.76Å; V406-W649 HydrophobicContact CG1-CD2 4.28Å; V406-W649 HydrophobicContact CG1-CE3 3.88Å; V406-W649 HydrophobicContact CG1-CG 4.25Å; W422-W649 HydrophobicContact CE3-CE3 4.42Å; W422-W649 HydrophobicContact CH2-CB 4.42Å; W422-W649 WeakPolarHBondContact CH2-O 3.15Å; W422-W649 WeakPolarHBondContact CZ2-O 3.32Å; W422-W649 HydrophobicContact CZ3-CE3 4.1Å; M425-W649 HydrophobicContact CE-CE3 4.43Å; M425-W649 HydrophobicContact CE-CH2 4.11Å; M425-W649 HydrophobicContact CE-CZ3 3.8Å; M425-W649 HydrophobicContact SD-CE3 4.25Å; M425-W649 HydrophobicContact SD-CH2 3.49Å; M425-W649 WeakPolarHBondContact SD-CH2 3.42Å; M425-W649 HydrophobicContact SD-CZ3 3.19Å; M425-W649 WeakPolarHBondContact SD-CZ3 3.09Å; W647-W649 AromaticContact CD2-CD1 3.71Å; W647-W649 AromaticContact CE2-CD1 3.88Å; W647-W649 AromaticContact CE3-CD1 3.81Å; W647-W649 PolarHBondContact O-N 3.01Å; W647-W649 VanDerWaalsContact O-N 3.12Å
650G68.5Low82.2Confident49 Ų4943.2 Ų43.251%0.50528%0.281SS..  trans69.4140.6-177.100000113.3W647 P648W647-G650 PolarHBondContact O-N 2.84Å; P648-G650 PolarHBondContact O-N 3.38Å
651G65.9Low80.7Confident56 Ų5640.3 Ų40.358%0.57727%0.27SS*.SBendtrans142.9178.8-170.500000109.5N653G651-N653 PolarHBondContact O-N 2.97Å
652P70.6Confident79Confident51 Ų5142.1 Ų42.133%0.33128%0.276SS..  trans-54.8129.7177.4-22.832.3000111.7S596 D597 R654 V655S596-P652 WeakPolarHBondContact O-CB 3.29Å; S596-P652 WeakPolarHBondContact OG-CA 3.45Å; S596-P652 WeakPolarHBondContact OG-CB 3.19Å; D597-P652 HydrophobicContact CB-CB 3.76Å; D597-P652 HydrophobicContact CB-CG 4.16Å; P652-R654 PolarHBondContact O-N 3.31Å; P652-V655 HydrophobicContact CB-CG1 4.33Å
653N78.9Confident78.1Confident43 Ų4341.8 Ų41.823%0.2328%0.277CS..SBendtrans-73.8-9.6178.9-16434000113.4S596 G617 L642 A644 G651S596-N653 PolarHBondContact OG-N 3.2Å; G617-N653 PolarHBondContact O-ND2 3.42Å; L642-N653 PolarHBondContact O-ND2 3.32Å; L642-N653 PolarHBondContact O-OD1 2.99Å; A644-N653 WeakPolarHBondContact CA-OD1 2.92Å; A644-N653 PolarHBondContact N-ND2 2.7Å; A644-N653 PolarHBondContact N-OD1 3Å; G651-N653 PolarHBondContact O-N 2.97Å
654R90.6Very high78Confident5 Ų542.3 Ų42.32%0.01927%0.271CS..SBendtrans-150.7128.2169.3-174.6176-178.8156.66.5106.6S596 D597 V615 S616 G619 L638 K639 P641 P652 T668S596-R654 PolarHBondContact OG-N 3.11Å; S596-R654 PolarHBondContact OG-O 3.31Å; D597-R654 VanDerWaalsContact CB-O 3.26Å; D597-R654 WeakPolarHBondContact CB-O 3.28Å; V615-R654 HydrophobicContact CB-CG 4.28Å; V615-R654 HydrophobicContact CG2-CB 4.3Å; V615-R654 HydrophobicContact CG2-CG 4.17Å; V615-R654 WeakPolarHBondContact CG2-O 3.31Å; S616-R654 WeakPolarHBondContact O-CB 3.47Å; S616-R654 VanDerWaalsContact O-CD 3.24Å; S616-R654 WeakPolarHBondContact O-CD 3.32Å; G619-R654 PolarHBondContact O-NH1 3.18Å; L638-R654 VanDerWaalsContact CD1-NH2 3.27Å; K639-R654 PolarHBondContact O-NH1 3.45Å; P641-R654 HydrophobicContact CB-CB 3.77Å; P641-R654 HydrophobicContact CB-CG 4.01Å; P641-R654 HydrophobicContact CG-CB 4.38Å; P652-R654 PolarHBondContact O-N 3.31Å; R654-T668 PolarHBondContact NE-OG1 3.33Å
655V92.4Very high78.5Confident25 Ų2541.6 Ų41.615%0.15226%0.258CS..  trans-94.4151.9178.4-61.50000111D597 P652 T668 P669 V697D597-V655 WeakPolarHBondContact OD2-CA 3.39Å; P652-V655 HydrophobicContact CB-CG1 4.33Å; V655-T668 WeakPolarHBondContact O-CB 3.47Å; V655-T668 PolarHBondContact O-OG1 3.27Å; V655-P669 HydrophobicContact CG2-CG 3.81Å; V655-P669 WeakPolarHBondContact O-CD 3.44Å; V655-V697 HydrophobicContact CG2-CG2 4.35Å
656I94.4Very high79.1Confident8 Ų833.9 Ų33.94%0.04122%0.222CC..  trans-128.8124.4167.5-174.669.6000108.1D597 V599 V613 V615 L622 L666 T668 L677D597-I656 HydrophobicContact CB-CG2 4.06Å; D597-I656 PolarHBondContact OD2-N 2.96Å; D597-I656 VanDerWaalsContact OD2-N 3.1Å; V599-I656 HydrophobicContact CB-CG2 4.17Å; V599-I656 HydrophobicContact CG1-CG1 3.8Å; V599-I656 HydrophobicContact CG1-CG2 3.95Å; V613-I656 HydrophobicContact CG1-CG1 4.35Å; V615-I656 HydrophobicContact CG1-CB 3.79Å; V615-I656 HydrophobicContact CG1-CD1 4.04Å; V615-I656 HydrophobicContact CG1-CG1 4.15Å; V615-I656 HydrophobicContact CG1-CG2 4.38Å; V615-I656 HydrophobicContact CG2-CB 3.96Å; V615-I656 HydrophobicContact CG2-CG2 4Å; L622-I656 HydrophobicContact CD1-CD1 4.38Å; I656-L666 HydrophobicContact CD1-CB 3.89Å; I656-L666 HydrophobicContact CD1-CD2 4.49Å; I656-L666 HydrophobicContact CG1-CD2 4.27Å; I656-T668 HydrophobicContact CD1-CG2 4.17Å; I656-L677 HydrophobicContact CD1-CD1 4.28Å
657V93.9Very high79.9Confident30 Ų3031.7 Ų31.718%0.18220%0.204CC..EExtended strand (participates in β ladder)trans-122.9122.4-177.8-174.20000108.9F315 L666 V667 V697 W699F315-V657 HydrophobicContact CE1-CB 4.28Å; F315-V657 HydrophobicContact CE1-CG1 4.01Å; V657-L666 CarbonylContact O-C 3.53Å; V657-L666 WeakPolarHBondContact O-CA 3.08Å; V657-V667 PolarHBondContact N-O 2.94Å; V657-V667 PolarHBondContact O-N 3.01Å; V657-V697 HydrophobicContact CB-CB 4.42Å; V657-V697 HydrophobicContact CB-CG1 4.13Å; V657-V697 HydrophobicContact CG1-CG1 4.49Å; V657-V697 HydrophobicContact CG2-CB 3.83Å; V657-V697 HydrophobicContact CG2-CG1 4.09Å; V657-W699 HydrophobicContact CG1-CB 4.24Å
658S91.6Very high80.7Confident14 Ų1430.1 Ų30.110%0.09820%0.198CC..EExtended strand (participates in β ladder)trans-78.9152.1171.3-174.10000110.5G660S658-G660 PolarHBondContact O-N 3.44Å; S658-G660 PolarHBondContact OG-O 3.36Å
659S86.5Confident81.8Confident7 Ų727.5 Ų27.55%0.04918%0.181CC..SBendtrans-73.645.9172.236.10000112.3G663 Y665 W699S659-G663 VanDerWaalsContact O-CA 3.26Å; S659-G663 WeakPolarHBondContact O-CA 3.36Å; S659-G663 PolarHBondContact O-N 3.46Å; S659-G663 WeakPolarHBondContact OG-CA 3.39Å; S659-Y665 WeakPolarHBondContact CB-O 3.24Å; S659-Y665 PolarHBondContact N-O 3.32Å; S659-Y665 WeakPolarHBondContact OG-CA 3.28Å; S659-Y665 PolarHBondContact OG-N 3.35Å; S659-Y665 PolarHBondContact OG-O 2.97Å; S659-W699 VanDerWaalsContact C-CD1 3.48Å; S659-W699 VanDerWaalsContact CB-CZ2 3.48Å; S659-W699 VanDerWaalsContact CB-CZ3 3.46Å; S659-W699 VanDerWaalsContact O-CE2 3.22Å; S659-W699 WeakPolarHBondContact O-CZ2 3.28Å; S659-W699 PolarHBondContact O-NE1 3.45Å; S659-W699 VanDerWaalsContact O-NE1 3.15Å
660G74.8Confident82.7Confident32 Ų3227.1 Ų27.133%0.3318%0.18SC..SBendtrans86.8-171.8-174.500000113S658 F662 W699S658-G660 PolarHBondContact O-N 3.44Å; S658-G660 PolarHBondContact OG-O 3.36Å; G660-F662 PolarHBondContact O-N 2.89Å; G660-W699 VanDerWaalsContact N-CD1 3.34Å
661L59.8Low83.8Confident80 Ų8027 Ų2742%0.41917%0.169SC..THydrogen-bonded Turntrans-61.7-25.3-172.4-127.8142.8000111.4P557 P602P557-L661 HydrophobicContact CB-CD2 4.18Å; P602-L661 WeakPolarHBondContact CD-O 3.35Å; P602-L661 WeakPolarHBondContact CG-O 3.32Å
662F55.6Low85Confident49 Ų4929.5 Ų29.522%0.21517%0.166CC..THydrogen-bonded Turntrans-137.818-178.7-53.2-79.6000114.2L205 V206 H224 P602 G660 Q664L205-F662 HydrophobicContact CB-CE2 3.62Å; L205-F662 HydrophobicContact CB-CZ 3.82Å; L205-F662 HydrophobicContact CD1-CE2 4.24Å; L205-F662 HydrophobicContact CD1-CZ 3.9Å; V206-F662 HydrophobicContact CB-CD2 4.47Å; V206-F662 HydrophobicContact CB-CG 4.48Å; V206-F662 HydrophobicContact CG2-CB 3.4Å; V206-F662 HydrophobicContact CG2-CD1 3.52Å; V206-F662 HydrophobicContact CG2-CD2 3.03Å; V206-F662 HydrophobicContact CG2-CE1 4.03Å; V206-F662 HydrophobicContact CG2-CE2 3.59Å; V206-F662 HydrophobicContact CG2-CG 2.98Å; V206-F662 HydrophobicContact CG2-CZ 4.06Å; H224-F662 HydrophobicContact CB-CD1 4.42Å; H224-F662 HydrophobicContact CB-CE1 4.07Å; H224-F662 HydrophobicContact CB-CZ 4.48Å; H224-F662 AromaticContact CD2-CE1 3.13Å; H224-F662 WeakPolarHBondContact CD2-CE1 3.38Å; H224-F662 AromaticContact CD2-CZ 3.24Å; H224-F662 WeakPolarHBondContact CD2-CZ 3.44Å; H224-F662 AromaticContact CG-CE1 3.58Å; H224-F662 AromaticContact NE2-CE1 3.64Å; H224-F662 AromaticContact NE2-CZ 3.89Å; P602-F662 HydrophobicContact CB-CD1 3.88Å; P602-F662 HydrophobicContact CB-CE1 3.84Å; P602-F662 HydrophobicContact CG-CD1 3.7Å; P602-F662 HydrophobicContact CG-CE1 3.56Å; P602-F662 HydrophobicContact CG-CZ 4.48Å; G660-F662 PolarHBondContact O-N 2.89Å; F662-Q664 PolarHBondContact O-N 3.06Å
663G67.8Low86.2Confident13 Ų1327.1 Ų27.113%0.13415%0.15CC..  trans-65.7131.4175.500000111.9Q601 S659 Y665Q601-G663 PolarHBondContact NE2-O 3.14Å; S659-G663 VanDerWaalsContact O-CA 3.26Å; S659-G663 WeakPolarHBondContact O-CA 3.36Å; S659-G663 PolarHBondContact O-N 3.46Å; S659-G663 WeakPolarHBondContact OG-CA 3.39Å; G663-Y665 PolarHBondContact O-N 3.47Å
664Q82.3Confident86.9Confident67 Ų6725.1 Ų25.131%0.31314%0.139SC..SBendtrans-60.5-31.6175.6-179176.9-400111.8Q601 F662 D678 G679 K680Q601-Q664 PolarHBondContact NE2-O 3.02Å; F662-Q664 PolarHBondContact O-N 3.06Å; Q664-D678 WeakPolarHBondContact CG-OD1 3.03Å; Q664-D678 PolarHBondContact NE2-OD1 3.41Å; Q664-D678 PolarHBondContact NE2-OD2 3.24Å; Q664-G679 PolarHBondContact O-N 2.91Å; Q664-K680 HydrophobicContact CG-CB 4.45Å
665Y91.1Very high87.1Confident33 Ų3325.3 Ų25.313%0.12914%0.141CC..EExtended strand (participates in β ladder)trans-100.9140.6-167.3-58.2-72.2000112.8P328 S659 G663 I676 L677 H685P328-Y665 HydrophobicContact CB-CD1 4.45Å; P328-Y665 HydrophobicContact CB-CD2 3.63Å; P328-Y665 HydrophobicContact CB-CE2 4.35Å; P328-Y665 HydrophobicContact CB-CG 3.68Å; P328-Y665 HydrophobicContact CG-CD2 3.77Å; P328-Y665 HydrophobicContact CG-CE2 4.43Å; P328-Y665 HydrophobicContact CG-CG 4.3Å; S659-Y665 WeakPolarHBondContact CB-O 3.24Å; S659-Y665 PolarHBondContact N-O 3.32Å; S659-Y665 WeakPolarHBondContact OG-CA 3.28Å; S659-Y665 PolarHBondContact OG-N 3.35Å; S659-Y665 PolarHBondContact OG-O 2.97Å; G663-Y665 PolarHBondContact O-N 3.47Å; Y665-I676 HydrophobicContact CD1-CG2 3.86Å; Y665-I676 HydrophobicContact CG-CG2 4.2Å; Y665-L677 VanDerWaalsContact CA-O 3.26Å; Y665-L677 WeakPolarHBondContact CA-O 3.28Å; Y665-H685 HydrophobicContact CD1-CB 4.45Å; Y665-H685 HydrophobicContact CE1-CB 4.34Å; Y665-H685 AromaticContact CE1-CD2 3.6Å; Y665-H685 AromaticContact CE1-CG 3.76Å; Y665-H685 AromaticContact CE1-NE2 3.83Å
666L94.3Very high87.3Confident0 Ų024.1 Ų24.10%013%0.133CC..EExtended strand (participates in β ladder)trans-116147.7168.5-57.7138.2000109.1V599 V613 F624 I656 V657 I676 L677V599-L666 HydrophobicContact CG1-CD2 3.44Å; V599-L666 VanDerWaalsContact CG1-CD2 3.44Å; V613-L666 HydrophobicContact CG1-CD1 4.27Å; V613-L666 HydrophobicContact CG2-CD1 3.99Å; V613-L666 HydrophobicContact CG2-CD2 4.49Å; F624-L666 HydrophobicContact CE1-CD1 4.32Å; I656-L666 HydrophobicContact CD1-CB 3.89Å; I656-L666 HydrophobicContact CD1-CD2 4.49Å; I656-L666 HydrophobicContact CG1-CD2 4.27Å; V657-L666 CarbonylContact O-C 3.53Å; V657-L666 WeakPolarHBondContact O-CA 3.08Å; L666-I676 CarbonylContact O-C 3.47Å; L666-I676 WeakPolarHBondContact O-CA 3.38Å; L666-L677 HydrophobicContact CB-CB 4.23Å; L666-L677 HydrophobicContact CB-CD1 4.36Å; L666-L677 PolarHBondContact N-O 3.33Å; L666-L677 PolarHBondContact O-N 3.28Å
667V95.4Very high87.3Confident0 Ų023.8 Ų23.80%013%0.131CC..EExtended strand (participates in β ladder)trans-123.1129.6177.5172.50000110.5F315 V657 L674 F675 I676 V697F315-V667 HydrophobicContact CD1-CB 4.08Å; F315-V667 HydrophobicContact CD1-CG2 3.88Å; F315-V667 HydrophobicContact CD2-CG2 3.48Å; F315-V667 VanDerWaalsContact CD2-CG2 3.48Å; F315-V667 HydrophobicContact CE1-CB 3.96Å; F315-V667 HydrophobicContact CE1-CG2 3.81Å; F315-V667 HydrophobicContact CE2-CB 4.42Å; F315-V667 HydrophobicContact CE2-CG2 3.4Å; F315-V667 VanDerWaalsContact CE2-CG2 3.4Å; F315-V667 HydrophobicContact CG-CB 4.35Å; F315-V667 HydrophobicContact CG-CG2 3.71Å; F315-V667 HydrophobicContact CZ-CB 4.12Å; F315-V667 HydrophobicContact CZ-CG2 3.56Å; V657-V667 PolarHBondContact N-O 2.94Å; V657-V667 PolarHBondContact O-N 3.01Å; V667-L674 HydrophobicContact CG1-CD1 3.46Å; V667-L674 VanDerWaalsContact CG1-CD1 3.46Å; V667-L674 HydrophobicContact CG1-CD2 3.86Å; V667-L674 HydrophobicContact CG1-CG 3.72Å; V667-F675 WeakPolarHBondContact CA-O 3.36Å; V667-I676 HydrophobicContact CG2-CG1 4.16Å; V667-I676 HydrophobicContact CG2-CG2 4.5Å; V667-V697 HydrophobicContact CB-CG1 4.37Å; V667-V697 HydrophobicContact CG1-CG1 3.99Å; V667-V697 HydrophobicContact CG1-CG2 4.34Å
668T95.3Very high87.1Confident0 Ų022.5 Ų22.50%012%0.124CC..EExtended strand (participates in β ladder)trans-136.5129171.6-174.60000111.2L638 R654 V655 I656 F675 L677L638-T668 HydrophobicContact CD1-CG2 4.43Å; R654-T668 PolarHBondContact NE-OG1 3.33Å; V655-T668 WeakPolarHBondContact O-CB 3.47Å; V655-T668 PolarHBondContact O-OG1 3.27Å; I656-T668 HydrophobicContact CD1-CG2 4.17Å; T668-F675 HydrophobicContact CG2-CB 4.16Å; T668-F675 PolarHBondContact N-O 2.81Å; T668-F675 PolarHBondContact O-N 3.28Å; T668-L677 HydrophobicContact CG2-CD1 4.28Å
669P94.3Very high86.8Confident6 Ų622 Ų224%0.03912%0.121CC..EExtended strand (participates in β ladder)trans-83.4160179.433.7-34.3000112.8V655 L674 A694V655-P669 HydrophobicContact CG2-CG 3.81Å; V655-P669 WeakPolarHBondContact O-CD 3.44Å; P669-L674 HydrophobicContact CB-CD1 3.78Å; P669-A694 HydrophobicContact CB-CB 3.79Å; P669-A694 VanDerWaalsContact CB-O 3.3Å; P669-A694 WeakPolarHBondContact CB-O 3.43Å
670S92.8Very high86.5Confident1 Ų125.4 Ų25.41%0.00714%0.135CC..  trans-130.8178.8167.876.90000110.1E640 E672 S673E640-S670 WeakPolarHBondContact O-CB 3.31Å; S670-E672 VanDerWaalsContact C-N 3.26Å; S670-E672 PolarHBondContact O-N 3.01Å; S670-E672 PolarHBondContact OG-N 3.03Å; S670-S673 WeakPolarHBondContact CA-O 3.45Å; S670-S673 WeakPolarHBondContact CB-O 3.37Å; S670-S673 PolarHBondContact N-O 3.41Å; S670-S673 PolarHBondContact OG-N 3.35Å; S670-S673 PolarHBondContact OG-O 2.92Å; S670-S673 PolarHBondContact OG-OG 2.57Å
671V91.3Very high87Confident47 Ų4730.2 Ų30.229%0.28515%0.149SC..SBendtrans-60.6-37.8175178.50000112E640 P641 L642 R693E640-V671 WeakPolarHBondContact O-CG2 3.01Å; E640-V671 PolarHBondContact O-N 3.36Å; P641-V671 VanDerWaalsContact O-CG2 3.26Å; P641-V671 WeakPolarHBondContact O-CG2 3.25Å; L642-V671 HydrophobicContact CD2-CG2 4.11Å; L642-V671 HydrophobicContact CG-CG2 4.27Å; V671-R693 HydrophobicContact CG1-CG 4.32Å; V671-R693 WeakPolarHBondContact O-CG 3.4Å; V671-R693 PolarHBondContact O-N 3.03Å
672E92.5Very high88.3Confident109 Ų10929.4 Ų29.451%0.50914%0.14SC..SBendtrans-108-15.3-167.8-57-172.3162.100114.7K639 S670 K692K639-E672 HydrophobicContact CD-CB 3.84Å; K639-E672 HydrophobicContact CD-CG 4.37Å; K639-E672 WeakPolarHBondContact CD-OE2 3.37Å; K639-E672 WeakPolarHBondContact CE-OE2 2.93Å; K639-E672 IonicContact NZ-OE2 2.69Å; K639-E672 PolarHBondContact NZ-OE2 2.91Å; K639-E672 VanDerWaalsContact NZ-OE2 3.13Å; S670-E672 VanDerWaalsContact C-N 3.26Å; S670-E672 PolarHBondContact O-N 3.01Å; S670-E672 PolarHBondContact OG-N 3.03Å; E672-K692 WeakPolarHBondContact O-CG 3.3Å
673S94.1Very high90Very high1 Ų129.6 Ų29.61%0.00715%0.145CC..  trans-163.3169.4-17459.10000112S670 F675 E687 I691S670-S673 WeakPolarHBondContact CA-O 3.45Å; S670-S673 WeakPolarHBondContact CB-O 3.37Å; S670-S673 PolarHBondContact N-O 3.41Å; S670-S673 PolarHBondContact OG-N 3.35Å; S670-S673 PolarHBondContact OG-O 2.92Å; S670-S673 PolarHBondContact OG-OG 2.57Å; S673-F675 VanDerWaalsContact OG-CE2 3.31Å; S673-F675 WeakPolarHBondContact OG-CE2 3.43Å; S673-E687 WeakPolarHBondContact CB-OE1 3.35Å; S673-E687 WeakPolarHBondContact OG-CG 3.34Å; S673-E687 PolarHBondContact OG-OE1 3.19Å; S673-I691 CarbonylContact C-O 3.6Å; S673-I691 WeakPolarHBondContact CA-O 3.32Å
674L94.9Very high91.1Very high0 Ų032.2 Ų32.20%016%0.16CC..EExtended strand (participates in β ladder)trans-108.7133.6170.6-172.279.6000109.6V317 L326 V667 P669 V688 I691 V697V317-L674 HydrophobicContact CG1-CD1 4.12Å; V317-L674 HydrophobicContact CG1-CD2 4.29Å; V317-L674 HydrophobicContact CG2-CD2 3.71Å; L326-L674 HydrophobicContact CD2-CD2 3.46Å; L326-L674 VanDerWaalsContact CD2-CD2 3.46Å; V667-L674 HydrophobicContact CG1-CD1 3.46Å; V667-L674 VanDerWaalsContact CG1-CD1 3.46Å; V667-L674 HydrophobicContact CG1-CD2 3.86Å; V667-L674 HydrophobicContact CG1-CG 3.72Å; P669-L674 HydrophobicContact CB-CD1 3.78Å; L674-V688 HydrophobicContact CB-CB 4.33Å; L674-V688 PolarHBondContact N-O 2.67Å; L674-V688 PolarHBondContact O-N 2.97Å; L674-I691 HydrophobicContact CB-CB 4.21Å; L674-I691 HydrophobicContact CB-CD1 4.42Å; L674-I691 HydrophobicContact CB-CG2 4.39Å; L674-I691 HydrophobicContact CD2-CD1 3.85Å; L674-V697 HydrophobicContact CD1-CG2 4.48Å
675F95.3Very high91.7Very high10 Ų1032.3 Ų32.34%0.04416%0.16CC..EExtended strand (participates in β ladder)trans-102.4129176.3-69.2-90.6000110.2L638 K639 V667 T668 S673 L677 E687L638-F675 HydrophobicContact CB-CD2 4.46Å; L638-F675 HydrophobicContact CB-CE2 4.28Å; L638-F675 HydrophobicContact CB-CZ 4.37Å; L638-F675 HydrophobicContact CD2-CB 4.31Å; L638-F675 HydrophobicContact CD2-CD1 3.6Å; L638-F675 HydrophobicContact CD2-CD2 4.33Å; L638-F675 HydrophobicContact CD2-CE1 3.96Å; L638-F675 HydrophobicContact CD2-CG 3.81Å; L638-F675 HydrophobicContact CD2-CZ 4.47Å; K639-F675 HydrophobicContact CB-CE2 4.04Å; K639-F675 HydrophobicContact CB-CZ 4.29Å; K639-F675 HydrophobicContact CD-CZ 4.35Å; K639-F675 HydrophobicContact CG-CE2 4.23Å; K639-F675 HydrophobicContact CG-CZ 3.99Å; V667-F675 WeakPolarHBondContact CA-O 3.36Å; T668-F675 HydrophobicContact CG2-CB 4.16Å; T668-F675 PolarHBondContact N-O 2.81Å; T668-F675 PolarHBondContact O-N 3.28Å; S673-F675 VanDerWaalsContact OG-CE2 3.31Å; S673-F675 WeakPolarHBondContact OG-CE2 3.43Å; F675-L677 HydrophobicContact CB-CD2 4.38Å; F675-E687 HydrophobicContact CD1-CB 4.19Å; F675-E687 HydrophobicContact CD1-CG 4.29Å; F675-E687 HydrophobicContact CE1-CB 3.98Å; F675-E687 HydrophobicContact CE1-CG 3.83Å; F675-E687 HydrophobicContact CZ-CG 3.97Å
676I95.1Very high91.8Very high0 Ų032.1 Ų32.10%016%0.163CC..EExtended strand (participates in β ladder)trans-102.3128.2165.7-51.6172.8000106.6L326 P328 C331 Y665 L666 V667 H685 C686 V688L326-I676 HydrophobicContact CD1-CD1 4.42Å; L326-I676 HydrophobicContact CD2-CD1 3.54Å; L326-I676 HydrophobicContact CD2-CG1 4.01Å; L326-I676 HydrophobicContact CG-CD1 4.09Å; P328-I676 HydrophobicContact CB-CG2 4.16Å; C331-I676 HydrophobicContact CB-CD1 4.03Å; Y665-I676 HydrophobicContact CD1-CG2 3.86Å; Y665-I676 HydrophobicContact CG-CG2 4.2Å; L666-I676 CarbonylContact O-C 3.47Å; L666-I676 WeakPolarHBondContact O-CA 3.38Å; V667-I676 HydrophobicContact CG2-CG1 4.16Å; V667-I676 HydrophobicContact CG2-CG2 4.5Å; I676-H685 HydrophobicContact CB-CB 4.5Å; I676-H685 HydrophobicContact CG2-CB 4.28Å; I676-H685 WeakPolarHBondContact O-CA 3.38Å; I676-H685 WeakPolarHBondContact O-CB 3.47Å; I676-H685 PolarHBondContact O-N 2.89Å; I676-C686 WeakPolarHBondContact CD1-SG 3.48Å; I676-C686 PolarHBondContact N-O 3.22Å; I676-C686 PolarHBondContact O-N 3.28Å; I676-C686 VanDerWaalsContact O-N 3.13Å; I676-V688 HydrophobicContact CD1-CG2 4.19Å
677L94.1Very high91.8Very high0 Ų035.9 Ų35.90%018%0.181CC..EExtended strand (participates in β ladder)trans-112.6142.1-178.4-50171.7000109.1L622 L635 L638 I656 Y665 L666 T668 F675 P684L622-L677 HydrophobicContact CD1-CD1 3.22Å; L635-L677 HydrophobicContact CD2-CD2 3.98Å; L638-L677 HydrophobicContact CD2-CD2 4.33Å; I656-L677 HydrophobicContact CD1-CD1 4.28Å; Y665-L677 VanDerWaalsContact CA-O 3.26Å; Y665-L677 WeakPolarHBondContact CA-O 3.28Å; L666-L677 HydrophobicContact CB-CB 4.23Å; L666-L677 HydrophobicContact CB-CD1 4.36Å; L666-L677 PolarHBondContact N-O 3.33Å; L666-L677 PolarHBondContact O-N 3.28Å; T668-L677 HydrophobicContact CG2-CD1 4.28Å; F675-L677 HydrophobicContact CB-CD2 4.38Å; L677-P684 HydrophobicContact CD2-CB 4.42Å
678D90Very high91.8Very high4 Ų436.5 Ų36.52%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-88.7108.1167.6-175.4-26.8000108.1Q664 K680 Q681 R682 T683 H685Q664-D678 WeakPolarHBondContact CG-OD1 3.03Å; Q664-D678 PolarHBondContact NE2-OD1 3.41Å; Q664-D678 PolarHBondContact NE2-OD2 3.24Å; D678-K680 VanDerWaalsContact C-N 3.29Å; D678-K680 PolarHBondContact O-N 3.03Å; D678-K680 WeakPolarHBondContact OD1-CA 3.25Å; D678-K680 VanDerWaalsContact OD1-CB 3.31Å; D678-K680 WeakPolarHBondContact OD1-CB 3.23Å; D678-K680 PolarHBondContact OD1-N 3.39Å; D678-Q681 HydrophobicContact CB-CB 4.21Å; D678-Q681 PolarHBondContact OD1-N 2.97Å; D678-Q681 WeakPolarHBondContact OD2-CG 3.32Å; D678-Q681 PolarHBondContact OD2-NE2 3.18Å; D678-R682 VanDerWaalsContact O-CA 3.28Å; D678-R682 WeakPolarHBondContact O-CA 3.43Å; D678-R682 PolarHBondContact O-N 3.49Å; D678-T683 PolarHBondContact N-O 3.48Å; D678-T683 PolarHBondContact O-N 3.45Å; D678-H685 HydrophobicContact CB-CB 4.3Å
679G85.2Confident91.6Very high4 Ų439.3 Ų39.34%0.04121%0.205CC..THydrogen-bonded Turntrans-70.1-22.8179.700000114.1Q601 Q664Q601-G679 VanDerWaalsContact OE1-CA 3.29Å; Q664-G679 PolarHBondContact O-N 2.91Å
680K80.8Confident91.4Very high77 Ų7745.8 Ų45.834%0.33524%0.239SC..THydrogen-bonded Turntrans-73.8-45.8175.2-175.8172.2-172.3164.70110.7E258 F604 Q664 D678E258-K680 IonicContact OE1-NZ 2.79Å; E258-K680 PolarHBondContact OE1-NZ 2.66Å; E258-K680 IonicContact OE2-NZ 3.15Å; E258-K680 PolarHBondContact OE2-NZ 2.82Å; F604-K680 HydrophobicContact CB-CB 4.43Å; F604-K680 HydrophobicContact CB-CD 4.26Å; F604-K680 HydrophobicContact CB-CG 3.94Å; F604-K680 HydrophobicContact CD1-CB 4.45Å; F604-K680 HydrophobicContact CD1-CD 4.47Å; F604-K680 HydrophobicContact CD2-CB 3.72Å; F604-K680 HydrophobicContact CD2-CG 4.17Å; F604-K680 HydrophobicContact CE2-CB 4.08Å; F604-K680 HydrophobicContact CG-CB 3.93Å; F604-K680 HydrophobicContact CG-CD 4.3Å; F604-K680 HydrophobicContact CG-CG 3.97Å; Q664-K680 HydrophobicContact CG-CB 4.45Å; D678-K680 VanDerWaalsContact C-N 3.29Å; D678-K680 PolarHBondContact O-N 3.03Å; D678-K680 WeakPolarHBondContact OD1-CA 3.25Å; D678-K680 VanDerWaalsContact OD1-CB 3.31Å; D678-K680 WeakPolarHBondContact OD1-CB 3.23Å; D678-K680 PolarHBondContact OD1-N 3.39Å
681Q84.3Confident91.3Very high133 Ų13345.9 Ų45.962%0.62124%0.239SC*.THydrogen-bonded Turntrans-84.9-15.2179-62.5-17626.800113.5D678 T683D678-Q681 HydrophobicContact CB-CB 4.21Å; D678-Q681 PolarHBondContact OD1-N 2.97Å; D678-Q681 WeakPolarHBondContact OD2-CG 3.32Å; D678-Q681 PolarHBondContact OD2-NE2 3.18Å; Q681-T683 HydrophobicContact CB-CG2 4.45Å; Q681-T683 WeakPolarHBondContact CB-OG1 3.44Å; Q681-T683 PolarHBondContact O-N 2.67Å
682R88.8Confident91.3Very high63 Ų6349.3 Ų49.324%0.23825%0.25CS..THydrogen-bonded Turntrans59.531.9-174.7-51.2173.9-172.3176.8-1.5112.7F624 E633 D678F624-R682 HydrophobicContact CD1-CB 4.45Å; F624-R682 HydrophobicContact CD1-CG 4.22Å; F624-R682 HydrophobicContact CD2-CB 4.29Å; F624-R682 HydrophobicContact CE1-CB 4.38Å; F624-R682 HydrophobicContact CE1-CG 4.36Å; F624-R682 HydrophobicContact CE2-CB 4.2Å; F624-R682 HydrophobicContact CG-CB 4.41Å; F624-R682 HydrophobicContact CG-CG 4.47Å; F624-R682 HydrophobicContact CZ-CB 4.26Å; E633-R682 IonicContact OE2-NH1 3.52Å; D678-R682 VanDerWaalsContact O-CA 3.28Å; D678-R682 WeakPolarHBondContact O-CA 3.43Å; D678-R682 PolarHBondContact O-N 3.49Å
683T90Very high91.1Very high54 Ų5447.5 Ų47.533%0.33124%0.239SC..EExtended strand (participates in β ladder)trans-124159.9-176.253.40000111.4D678 Q681 H685D678-T683 PolarHBondContact N-O 3.48Å; D678-T683 PolarHBondContact O-N 3.45Å; Q681-T683 HydrophobicContact CB-CG2 4.45Å; Q681-T683 WeakPolarHBondContact CB-OG1 3.44Å; Q681-T683 PolarHBondContact O-N 2.67Å; T683-H685 PolarHBondContact O-N 2.95Å
684P91.6Very high91Very high67 Ų6747.6 Ų47.644%0.43524%0.239SC..EExtended strand (participates in β ladder)trans-62.9122.7167.1-14.528.5000109.4L635 L677L635-P684 HydrophobicContact CD1-CG 4.2Å; L635-P684 HydrophobicContact CD2-CG 4.09Å; L677-P684 HydrophobicContact CD2-CB 4.42Å
685H93.8Very high90.7Very high69 Ų6949 Ų4932%0.31925%0.247SC..EExtended strand (participates in β ladder)trans-76.4-48.5171.5-177.956.3000109.9P328 S329 C331 Y665 I676 D678 T683P328-H685 PolarHBondContact O-CD2 2.73Å; P328-H685 VanDerWaalsContact O-CD2 3.25Å; P328-H685 PolarHBondContact O-NE2 3.12Å; S329-H685 PolarHBondContact O-NE2 2.89Å; C331-H685 PolarHBondContact SG-CD2 3.17Å; Y665-H685 HydrophobicContact CD1-CB 4.45Å; Y665-H685 HydrophobicContact CE1-CB 4.34Å; Y665-H685 AromaticContact CE1-CD2 3.6Å; Y665-H685 AromaticContact CE1-CG 3.76Å; Y665-H685 AromaticContact CE1-NE2 3.83Å; I676-H685 HydrophobicContact CB-CB 4.5Å; I676-H685 HydrophobicContact CG2-CB 4.28Å; I676-H685 WeakPolarHBondContact O-CA 3.38Å; I676-H685 WeakPolarHBondContact O-CB 3.47Å; I676-H685 PolarHBondContact O-N 2.89Å; D678-H685 HydrophobicContact CB-CB 4.3Å; T683-H685 PolarHBondContact O-N 2.95Å
686C94Very high90.6Very high29 Ų2949 Ų4920%0.19625%0.248CC..EExtended strand (participates in β ladder)trans-164.7166.1174.964.10000113.1C331 I676C331-C686 HydrophobicContact CB-CB 3.85Å; C331-C686 WeakPolarHBondContact CB-SG 2.94Å; C331-C686 WeakPolarHBondContact SG-CB 3.47Å; C331-C686 CovalentContact SG-SG 2Å; C331-C686 PolarHBondContact SG-SG 3.17Å; I676-C686 WeakPolarHBondContact CD1-SG 3.48Å; I676-C686 PolarHBondContact N-O 3.22Å; I676-C686 PolarHBondContact O-N 3.28Å; I676-C686 VanDerWaalsContact O-N 3.13Å
687E94.9Very high90.6Very high80 Ų8049.6 Ų49.637%0.37425%0.251SS..EExtended strand (participates in β ladder)trans-116.9119.8171.9-179.1-177.2178.100110.1K639 S673 F675 S689K639-E687 WeakPolarHBondContact CE-OE1 3.39Å; K639-E687 IonicContact NZ-OE1 2.95Å; K639-E687 PolarHBondContact NZ-OE1 3.25Å; S673-E687 WeakPolarHBondContact CB-OE1 3.35Å; S673-E687 WeakPolarHBondContact OG-CG 3.34Å; S673-E687 PolarHBondContact OG-OE1 3.19Å; F675-E687 HydrophobicContact CD1-CB 4.19Å; F675-E687 HydrophobicContact CD1-CG 4.29Å; F675-E687 HydrophobicContact CE1-CB 3.98Å; F675-E687 HydrophobicContact CE1-CG 3.83Å; F675-E687 HydrophobicContact CZ-CG 3.97Å; E687-S689 PolarHBondContact O-N 3.04Å
688V94.3Very high90.6Very high12 Ų1250.1 Ų50.17%0.07326%0.255CS..EExtended strand (participates in β ladder)trans-94.793.8176.2-171.30000109.1L326 I333 L674 I676 D690 I691L326-V688 HydrophobicContact CD1-CG2 4.06Å; L326-V688 HydrophobicContact CD2-CG2 4.38Å; I333-V688 HydrophobicContact CD1-CG1 4.07Å; I333-V688 HydrophobicContact CG1-CG1 4.34Å; L674-V688 HydrophobicContact CB-CB 4.33Å; L674-V688 PolarHBondContact N-O 2.67Å; L674-V688 PolarHBondContact O-N 2.97Å; I676-V688 HydrophobicContact CD1-CG2 4.19Å; V688-D690 VanDerWaalsContact C-N 3.3Å; V688-D690 PolarHBondContact O-N 3.12Å; V688-I691 HydrophobicContact CB-CD1 4.38Å; V688-I691 HydrophobicContact CG1-CD1 3.8Å; V688-I691 HydrophobicContact CG1-CG1 3.94Å
689S92.1Very high90.7Very high60 Ų6051.7 Ų51.742%0.4226%0.26SS..THydrogen-bonded Turntrans-74.2-15.3-175.2-67.90000114.8E687 I691E687-S689 PolarHBondContact O-N 3.04Å; S689-I691 PolarHBondContact O-N 3.26Å
690D89.3Confident90.9Very high141 Ų14151.7 Ų51.775%0.75426%0.26SS*.THydrogen-bonded Turntrans-74.7-17.3178.4-67.8-29.6000112.6I333 V688I333-D690 HydrophobicContact CD1-CB 4.2Å; V688-D690 VanDerWaalsContact C-N 3.3Å; V688-D690 PolarHBondContact O-N 3.12Å
691I90.6Very high90.7Very high4 Ų448.3 Ų48.32%0.02125%0.246CC..  trans-101.9103.5179.9-55.8172.1000109V317 T324 I333 S673 L674 V688 S689 A694V317-I691 HydrophobicContact CG1-CG2 3.83Å; T324-I691 HydrophobicContact CG2-CD1 3.64Å; T324-I691 HydrophobicContact CG2-CG1 4.15Å; I333-I691 HydrophobicContact CD1-CG1 4.4Å; S673-I691 CarbonylContact C-O 3.6Å; S673-I691 WeakPolarHBondContact CA-O 3.32Å; L674-I691 HydrophobicContact CB-CB 4.21Å; L674-I691 HydrophobicContact CB-CD1 4.42Å; L674-I691 HydrophobicContact CB-CG2 4.39Å; L674-I691 HydrophobicContact CD2-CD1 3.85Å; V688-I691 HydrophobicContact CB-CD1 4.38Å; V688-I691 HydrophobicContact CG1-CD1 3.8Å; V688-I691 HydrophobicContact CG1-CG1 3.94Å; S689-I691 PolarHBondContact O-N 3.26Å; I691-A694 HydrophobicContact CG2-CB 3.9Å
692K90.9Very high89.6Confident119 Ų11948.2 Ų48.252%0.51725%0.246SC..  trans-103.8150.6179.4-64.6179.7-178.4177.70110.6S319 E672 A694S319-K692 WeakPolarHBondContact CB-O 3.33Å; E672-K692 WeakPolarHBondContact O-CG 3.3Å; K692-A694 PolarHBondContact O-N 3.02Å
693R89.9Confident87.6Confident70 Ų7052.2 Ų52.226%0.26428%0.277SS..SBendtrans50.534.2170.9-56.2-17957.798.18.8113.9D320 R361 L642 V671D320-R693 WeakPolarHBondContact OD2-CD 3.09Å; D320-R693 IonicContact OD2-NE 3.87Å; R361-R693 VanDerWaalsContact NH1-CZ 3.28Å; L642-R693 HydrophobicContact CD2-CB 4.08Å; L642-R693 HydrophobicContact CD2-CG 4.09Å; V671-R693 HydrophobicContact CG1-CG 4.32Å; V671-R693 WeakPolarHBondContact O-CG 3.4Å; V671-R693 PolarHBondContact O-N 3.03Å
694A91.4Very high87.4Confident3 Ų352.2 Ų52.23%0.02527%0.274CS..  trans-68.5144.9169.200000109.9V317 F318 L642 P669 I691 K692V317-A694 HydrophobicContact CG1-CB 3.52Å; F318-A694 WeakPolarHBondContact O-CA 3.37Å; L642-A694 WeakPolarHBondContact CD1-O 3.43Å; P669-A694 HydrophobicContact CB-CB 3.79Å; P669-A694 VanDerWaalsContact CB-O 3.3Å; P669-A694 WeakPolarHBondContact CB-O 3.43Å; I691-A694 HydrophobicContact CG2-CB 3.9Å; K692-A694 PolarHBondContact O-N 3.02Å
695N88.8Confident87.2Confident29 Ų2951.4 Ų51.416%0.15527%0.266CS..  trans-141.7-18.8-175.549.822.5000113.5F318 L642 W647F318-N695 PolarHBondContact O-N 2.72Å; F318-N695 PolarHBondContact O-OD1 2.94Å; L642-N695 HydrophobicContact CD1-CB 3.92Å; W647-N695 HydrophobicContact CE3-CB 4.35Å; W647-N695 HydrophobicContact CH2-CB 3.7Å; W647-N695 WeakPolarHBondContact CH2-ND2 3.39Å; W647-N695 HydrophobicContact CZ2-CB 4.22Å; W647-N695 HydrophobicContact CZ3-CB 3.89Å; W647-N695 WeakPolarHBondContact CZ3-ND2 3.48Å
696T92.7Very high86.9Confident10 Ų1050.4 Ų50.46%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-127.9131.9176.6-55.40000108.1F318 A367F318-T696 HydrophobicContact CD2-CG2 4.03Å; F318-T696 WeakPolarHBondContact CD2-O 3.4Å; F318-T696 PolarHBondContact N-O 2.96Å; A367-T696 HydrophobicContact CB-CG2 3.55Å
697V94.8Very high86.4Confident13 Ų1351.6 Ų51.68%0.07927%0.267CS..EExtended strand (participates in β ladder)trans-136.1138.1-178.7-178.70000107.6F315 Y316 V317 V655 V657 V667 L674F315-V697 HydrophobicContact CD1-CG1 3.8Å; Y316-V697 CarbonylContact O-C 3.6Å; Y316-V697 WeakPolarHBondContact O-CA 3.49Å; V317-V697 HydrophobicContact CG1-CG2 4.24Å; V317-V697 HydrophobicContact CG2-CG1 4.26Å; V317-V697 HydrophobicContact CG2-CG2 4.39Å; V655-V697 HydrophobicContact CG2-CG2 4.35Å; V657-V697 HydrophobicContact CB-CB 4.42Å; V657-V697 HydrophobicContact CB-CG1 4.13Å; V657-V697 HydrophobicContact CG1-CG1 4.49Å; V657-V697 HydrophobicContact CG2-CB 3.83Å; V657-V697 HydrophobicContact CG2-CG1 4.09Å; V667-V697 HydrophobicContact CB-CG1 4.37Å; V667-V697 HydrophobicContact CG1-CG1 3.99Å; V667-V697 HydrophobicContact CG1-CG2 4.34Å; L674-V697 HydrophobicContact CD1-CG2 4.48Å
698V94.1Very high85.9Confident11 Ų1149.9 Ų49.97%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-131.4136175.8176.50000108.7Y316 F318 A367 N369 I375 V700Y316-V698 PolarHBondContact N-O 3.36Å; Y316-V698 PolarHBondContact O-N 3.47Å; F318-V698 HydrophobicContact CE2-CB 4.48Å; F318-V698 HydrophobicContact CE2-CG2 4.15Å; A367-V698 HydrophobicContact CB-CG2 3.33Å; N369-V698 HydrophobicContact CB-CG1 3.73Å; I375-V698 HydrophobicContact CG2-CG1 4.5Å; I375-V698 HydrophobicContact CG2-CG2 4.47Å; V698-V700 HydrophobicContact CG1-CG2 4.43Å
699W92.9Very high85.4Confident37 Ų3752.4 Ų52.414%0.1427%0.273CS..EExtended strand (participates in β ladder)trans-86.2133.3168175.3-111.9000110.4N313 M314 F315 P328 V657 S659 G660N313-W699 VanDerWaalsContact C-CZ3 3.46Å; N313-W699 HydrophobicContact CB-CH2 3.44Å; N313-W699 VanDerWaalsContact CB-CH2 3.44Å; N313-W699 HydrophobicContact CB-CZ2 3.52Å; N313-W699 WeakPolarHBondContact O-CH2 3.4Å; M314-W699 VanDerWaalsContact O-CE3 3.29Å; F315-W699 HydrophobicContact CD1-CB 4.38Å; F315-W699 AromaticContact CD1-CE3 3.8Å; F315-W699 HydrophobicContact CD1-CE3 3.8Å; F315-W699 AromaticContact CD2-CE3 3.77Å; F315-W699 HydrophobicContact CD2-CE3 3.77Å; F315-W699 AromaticContact CD2-CZ3 3.69Å; F315-W699 HydrophobicContact CD2-CZ3 3.69Å; F315-W699 HydrophobicContact CE1-CB 4.16Å; F315-W699 HydrophobicContact CE1-CD2 4.43Å; F315-W699 AromaticContact CE1-CE3 3.71Å; F315-W699 HydrophobicContact CE1-CE3 3.71Å; F315-W699 HydrophobicContact CE1-CZ3 4.45Å; F315-W699 AromaticContact CE2-CE3 3.68Å; F315-W699 HydrophobicContact CE2-CE3 3.68Å; F315-W699 AromaticContact CE2-CZ3 3.57Å; F315-W699 HydrophobicContact CE2-CZ3 3.57Å; F315-W699 AromaticContact CG-CE3 3.84Å; F315-W699 HydrophobicContact CG-CE3 3.84Å; F315-W699 HydrophobicContact CG-CZ3 4.2Å; F315-W699 AromaticContact CZ-CE3 3.66Å; F315-W699 HydrophobicContact CZ-CE3 3.66Å; F315-W699 AromaticContact CZ-CZ3 3.99Å; F315-W699 HydrophobicContact CZ-CZ3 3.99Å; P328-W699 HydrophobicContact CG-CH2 4.25Å; P328-W699 HydrophobicContact CG-CZ3 4.02Å; V657-W699 HydrophobicContact CG1-CB 4.24Å; S659-W699 VanDerWaalsContact C-CD1 3.48Å; S659-W699 VanDerWaalsContact CB-CZ2 3.48Å; S659-W699 VanDerWaalsContact CB-CZ3 3.46Å; S659-W699 VanDerWaalsContact O-CE2 3.22Å; S659-W699 WeakPolarHBondContact O-CZ2 3.28Å; S659-W699 PolarHBondContact O-NE1 3.45Å; S659-W699 VanDerWaalsContact O-NE1 3.15Å; G660-W699 VanDerWaalsContact N-CD1 3.34Å
700V89.2Confident84.9Confident5 Ų551.9 Ų51.93%0.0326%0.262CS..EExtended strand (participates in β ladder)trans-122.7107.5168.6179.70000107.6N313 M314 Y316 I375 I390 V698N313-V700 CarbonylContact C-O 3.57Å; N313-V700 WeakPolarHBondContact CA-O 3.44Å; N313-V700 PolarHBondContact N-O 3.07Å; N313-V700 VanDerWaalsContact N-O 3.15Å; M314-V700 PolarHBondContact N-O 3Å; M314-V700 PolarHBondContact O-N 3.4Å; Y316-V700 HydrophobicContact CD2-CB 4.11Å; Y316-V700 HydrophobicContact CD2-CG2 3.65Å; Y316-V700 HydrophobicContact CE2-CB 3.97Å; Y316-V700 HydrophobicContact CE2-CG2 3.79Å; I375-V700 HydrophobicContact CD1-CG2 3.61Å; I375-V700 HydrophobicContact CG1-CG2 3.85Å; I390-V700 HydrophobicContact CD1-CG1 3.64Å; I390-V700 HydrophobicContact CD1-CG2 3.99Å; I390-V700 HydrophobicContact CG1-CG1 4.27Å; I390-V700 HydrophobicContact CG1-CG2 4.43Å; I390-V700 HydrophobicContact CG2-CG1 3.76Å; V698-V700 HydrophobicContact CG1-CG2 4.43Å
701G76.8Confident84.5Confident5 Ų545 Ų455%0.05222%0.224CC..  trans-149165177.700000110.6N313N313-G701 WeakPolarHBondContact OD1-CA 3.44Å
702E60.1Low84Confident132 Ų13248.4 Ų48.462%0.61724%0.241SC*.  trans-61.4136.3169.5-67-177.9177.700107.7N313N313-E702 PolarHBondContact OD1-N 3.04Å
703V46.8Very low83.4Confident147 Ų14742 Ų4289%0.89122%0.216SC*.  trans-96.30-175.1178.20000110.2

Retrieved 703 of 703 residues in 576.2 ms (Link to these results)

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