G4VPP4_SCHMA Loading...

NHR domain-containing protein

AlphaFold DB , UniProt , Accession G4VPP4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 495 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
1M30.8Very low61.5Low233 Ų23370.6 Ų70.6100%1.14839%0.394SS*.  0119.90-78.1170.516000107.5T3M1-T3 PolarHBondContact O-N 3.36Å
2S39.5Very low64.4Low79 Ų7965.3 Ų65.355%0.55236%0.364SS*.  trans-70.6105.3171.8-172.50000106.8Y4 N395S2-Y4 PolarHBondContact O-N 2.85Å; S2-N395 PolarHBondContact OG-OD1 2.82Å
3T46.9Very low66.6Low96 Ų9665.6 Ų65.659%0.58936%0.359SS*.  trans-72.1109.5174.444.80000107.5M1 V5M1-T3 PolarHBondContact O-N 3.36Å; T3-V5 PolarHBondContact O-N 3.29Å
4Y48.2Very low68.5Low94 Ų9470 Ų7037%0.36938%0.382SS..EExtended strand (participates in β ladder)trans-61.9124.1173.1-175.8-108.1000108.8S2 D6 L392 Q393S2-Y4 PolarHBondContact O-N 2.85Å; Y4-D6 HydrophobicContact CD1-CB 3.81Å; Y4-D6 HydrophobicContact CE1-CB 3.36Å; Y4-D6 WeakPolarHBondContact CE1-OD1 3.48Å; Y4-D6 PolarHBondContact OH-OD1 3.1Å; Y4-L392 PolarHBondContact OH-O 2.72Å; Y4-Q393 HydrophobicContact CD2-CB 4.39Å; Y4-Q393 HydrophobicContact CE2-CB 3.55Å; Y4-Q393 HydrophobicContact CE2-CG 3.49Å; Y4-Q393 VanDerWaalsContact CE2-CG 3.49Å
5V50.7Low70.4Confident50 Ų5065.8 Ų65.830%0.30336%0.359SS..EExtended strand (participates in β ladder)trans-96100.3166.1-175.50000105.5T3 I7T3-V5 PolarHBondContact O-N 3.29Å; V5-I7 HydrophobicContact CG1-CG1 4.22Å; V5-I7 PolarHBondContact O-N 3.17Å; V5-I7 VanDerWaalsContact O-N 3.08Å
6D50Low72Confident91 Ų9168.6 Ų68.649%0.48736%0.363SS..EExtended strand (participates in β ladder)trans-67.1109172-161.313.9000108.1Y4 S8Y4-D6 HydrophobicContact CD1-CB 3.81Å; Y4-D6 HydrophobicContact CE1-CB 3.36Å; Y4-D6 WeakPolarHBondContact CE1-OD1 3.48Å; Y4-D6 PolarHBondContact OH-OD1 3.1Å; D6-S8 VanDerWaalsContact C-N 3.34Å; D6-S8 PolarHBondContact O-N 2.93Å
7I59.6Low73.5Confident11 Ų1164.8 Ų64.86%0.05634%0.343CS..EExtended strand (participates in β ladder)trans-91.281.8173.4-61.3160.4000106V5 T9 E50 Q394V5-I7 HydrophobicContact CG1-CG1 4.22Å; V5-I7 PolarHBondContact O-N 3.17Å; V5-I7 VanDerWaalsContact O-N 3.08Å; I7-T9 WeakPolarHBondContact CG2-OG1 3.43Å; I7-T9 PolarHBondContact O-N 3.13Å; I7-E50 HydrophobicContact CD1-CG 3.88Å; I7-E50 HydrophobicContact CG1-CG 4.31Å; I7-E50 HydrophobicContact CG2-CG 4.04Å; I7-E50 WeakPolarHBondContact CG2-OE1 3.24Å; I7-Q394 HydrophobicContact CD1-CB 3.55Å; I7-Q394 HydrophobicContact CD1-CG 4.31Å
8S70.3Confident74.8Confident86 Ų8669.5 Ų69.560%0.60136%0.363SS*.  trans-81.464.6172.856.80000110D6 V10D6-S8 VanDerWaalsContact C-N 3.34Å; D6-S8 PolarHBondContact O-N 2.93Å; S8-V10 PolarHBondContact O-N 3.13Å
9T87.9Confident76Confident13 Ų1369.7 Ų69.78%0.0836%0.359CS..  trans-64.2129.5166.9-61.40000107.8I7 I46 V52 L389I7-T9 WeakPolarHBondContact CG2-OG1 3.43Å; I7-T9 PolarHBondContact O-N 3.13Å; T9-I46 HydrophobicContact CG2-CD1 4.34Å; T9-V52 HydrophobicContact CG2-CG1 4.01Å; T9-L389 HydrophobicContact CG2-CD1 4.42Å; T9-L389 HydrophobicContact CG2-CD2 4.22Å; T9-L389 WeakPolarHBondContact O-CD1 3.14Å
10V95.5Very high77.1Confident24 Ų2466.7 Ų66.715%0.14534%0.344CS..  trans-129.3156.9174.4-64.30000109.2S8 R26 T27 Q43S8-V10 PolarHBondContact O-N 3.13Å; V10-R26 HydrophobicContact CB-CB 3.84Å; V10-R26 HydrophobicContact CG1-CB 4.41Å; V10-R26 HydrophobicContact CG2-CB 4.46Å; V10-T27 HydrophobicContact CG1-CG2 4.49Å; V10-Q43 HydrophobicContact CG2-CB 3.87Å; V10-Q43 PolarHBondContact O-N 3.15Å
11F97.4Very high78.1Confident0 Ų068.9 Ų68.90%035%0.353CS..EExtended strand (participates in β ladder)trans-70.5145.1172.2-62-59000111I22 R26 T27 A29 V40 F378 I387 L389F11-I22 HydrophobicContact CB-CD1 3.85Å; F11-I22 HydrophobicContact CB-CG1 4.46Å; F11-I22 HydrophobicContact CB-CG2 4.29Å; F11-R26 WeakPolarHBondContact CD2-O 3.41Å; F11-R26 PolarHBondContact N-O 3Å; F11-R26 WeakPolarHBondContact O-CD 3.42Å; F11-T27 VanDerWaalsContact CE2-O 3.23Å; F11-T27 WeakPolarHBondContact CE2-O 3.45Å; F11-A29 HydrophobicContact CD2-CB 3.92Å; F11-A29 HydrophobicContact CE2-CB 3.62Å; F11-A29 HydrophobicContact CZ-CB 4Å; F11-V40 HydrophobicContact CD1-CB 4.12Å; F11-V40 HydrophobicContact CD1-CG2 3.73Å; F11-V40 HydrophobicContact CE1-CG2 3.63Å; F11-V40 HydrophobicContact CG-CG2 4.48Å; F11-V40 HydrophobicContact CZ-CG2 4.29Å; F11-F378 AromaticContact CE1-CD2 3.75Å; F11-F378 HydrophobicContact CE1-CD2 3.75Å; F11-F378 HydrophobicContact CE1-CE2 4.14Å; F11-F378 HydrophobicContact CE1-CG 4.38Å; F11-I387 HydrophobicContact CE1-CD1 4.41Å; F11-I387 HydrophobicContact CZ-CD1 3.9Å; F11-I387 HydrophobicContact CZ-CG1 4.06Å; F11-L389 HydrophobicContact CD1-CD1 3.9Å; F11-L389 HydrophobicContact CD2-CD1 3.76Å; F11-L389 HydrophobicContact CD2-CG 4.43Å; F11-L389 HydrophobicContact CE1-CD1 3.79Å; F11-L389 HydrophobicContact CE1-CD2 4.39Å; F11-L389 HydrophobicContact CE1-CG 4.01Å; F11-L389 HydrophobicContact CE2-CD1 3.66Å; F11-L389 HydrophobicContact CE2-CG 3.82Å; F11-L389 HydrophobicContact CG-CD1 3.88Å; F11-L389 HydrophobicContact CZ-CD1 3.67Å; F11-L389 HydrophobicContact CZ-CD2 4.3Å; F11-L389 HydrophobicContact CZ-CG 3.58Å
12N95.6Very high81.3Confident6 Ų658.4 Ų58.43%0.03230%0.301CS..EExtended strand (participates in β ladder)trans-80.7126.9172.9-173.5-46.2000109.6D14 H15 I22 I41 Q43N12-D14 VanDerWaalsContact C-N 3.31Å; N12-D14 PolarHBondContact O-N 3.14Å; N12-D14 PolarHBondContact OD1-N 3.13Å; N12-H15 HydrophobicContact CB-CB 4.06Å; N12-H15 PolarHBondContact ND2-ND1 2.97Å; N12-H15 PolarHBondContact O-N 3.36Å; N12-H15 PolarHBondContact OD1-N 2.69Å; N12-H15 PolarHBondContact OD1-ND1 2.95Å; N12-H15 VanDerWaalsContact OD1-ND1 3.11Å; N12-I22 WeakPolarHBondContact O-CD1 3.27Å; N12-I41 PolarHBondContact N-O 3.38Å; N12-Q43 HydrophobicContact CB-CB 4.24Å; N12-Q43 PolarHBondContact ND2-NE2 3.41Å; N12-Q43 PolarHBondContact ND2-OE1 2.92Å; N12-Q43 VanDerWaalsContact ND2-OE1 3.17Å
13F93.3Very high84Confident70 Ų7055.8 Ų55.831%0.30728%0.282SS..EExtended strand (participates in β ladder)trans-65.7-34.3-178-92.8-54.2000112.9R16 I22 R26F13-R16 WeakPolarHBondContact O-CD 3.48Å; F13-R16 PolarHBondContact O-NH1 2.94Å; F13-I22 HydrophobicContact CD1-CB 3.89Å; F13-I22 HydrophobicContact CD1-CD1 4.39Å; F13-I22 HydrophobicContact CD1-CG2 3.9Å; F13-I22 HydrophobicContact CE1-CB 3.7Å; F13-I22 HydrophobicContact CE1-CG2 3.55Å; F13-I22 HydrophobicContact CZ-CG2 4.2Å; F13-R26 HydrophobicContact CD2-CG 3.72Å; F13-R26 HydrophobicContact CE1-CG 4.2Å; F13-R26 HydrophobicContact CE2-CG 3.21Å; F13-R26 HydrophobicContact CG-CG 4.38Å; F13-R26 HydrophobicContact CZ-CG 3.48Å; F13-R26 VanDerWaalsContact CZ-CG 3.48Å
14D94.2Very high86.3Confident127 Ų12757.3 Ų57.368%0.67929%0.294SS*.EExtended strand (participates in β ladder)trans-84.4-22.9-175.3-56.4-42.1000111.9N12 R16 L80N12-D14 VanDerWaalsContact C-N 3.31Å; N12-D14 PolarHBondContact O-N 3.14Å; N12-D14 PolarHBondContact OD1-N 3.13Å; D14-R16 PolarHBondContact O-N 3.27Å; D14-L80 WeakPolarHBondContact O-CD2 3.15Å
15H96Very high88.5Confident7 Ų757.3 Ų57.33%0.03230%0.3CS..EExtended strand (participates in β ladder)trans-102.165.4178.5-58.973000110.7N12 I41 D76 L82N12-H15 HydrophobicContact CB-CB 4.06Å; N12-H15 PolarHBondContact ND2-ND1 2.97Å; N12-H15 PolarHBondContact O-N 3.36Å; N12-H15 PolarHBondContact OD1-N 2.69Å; N12-H15 PolarHBondContact OD1-ND1 2.95Å; N12-H15 VanDerWaalsContact OD1-ND1 3.11Å; H15-I41 HydrophobicContact CB-CB 3.86Å; H15-I41 HydrophobicContact CB-CG1 3.91Å; H15-I41 PolarHBondContact O-N 3.22Å; H15-D76 IonicContact CE1-OD1 3.87Å; H15-D76 IonicContact NE2-OD1 3.29Å; H15-D76 PolarHBondContact NE2-OD1 2.82Å; H15-L82 HydrophobicContact CB-CD1 4.31Å; H15-L82 WeakPolarHBondContact O-CD1 3.05Å
16R97Very high90.7Very high111 Ų11158.7 Ų58.742%0.41930%0.3SS..EExtended strand (participates in β ladder)trans-130.2146.9174.273.7-176.5-173.2-115.36.6112.3F13 D14 V20 I22 V39 V40F13-R16 WeakPolarHBondContact O-CD 3.48Å; F13-R16 PolarHBondContact O-NH1 2.94Å; D14-R16 PolarHBondContact O-N 3.27Å; R16-V20 HydrophobicContact CB-CB 4.39Å; R16-V20 WeakPolarHBondContact CD-O 3.38Å; R16-V20 PolarHBondContact NE-O 3.21Å; R16-I22 HydrophobicContact CB-CD1 3.82Å; R16-I22 HydrophobicContact CB-CG1 4.47Å; R16-I22 HydrophobicContact CG-CD1 4.43Å; R16-V39 CarbonylContact C-O 3.52Å; R16-V39 WeakPolarHBondContact CA-O 3.47Å; R16-V40 HydrophobicContact CB-CG1 4.01Å
17G97.2Very high92.9Very high3 Ų355.5 Ų55.53%0.03128%0.284CS..  trans-65.3156.1174.300000111.4Y19 V20 D37 V39G17-Y19 PolarHBondContact O-N 2.9Å; G17-Y19 VanDerWaalsContact O-N 3.09Å; G17-V20 PolarHBondContact O-N 2.9Å; G17-D37 CarbonylContact C-O 3.46Å; G17-D37 WeakPolarHBondContact CA-O 3.41Å; G17-V39 PolarHBondContact N-O 3.08Å
18Q96.5Very high94.7Very high150 Ų15057.8 Ų57.870%0.70129%0.294SS*.THydrogen-bonded Turntrans-56.2-32.4-172.5-174.31779.800113.4D37Q18-D37 HydrophobicContact CB-CB 4.24Å
19Y97.2Very high96.1Very high74 Ų7453.7 Ų53.729%0.2927%0.265SS..THydrogen-bonded Turntrans-99.68.3-178-60.2-27.8000113.4G17 R31 Q32 I33 D37G17-Y19 PolarHBondContact O-N 2.9Å; G17-Y19 VanDerWaalsContact O-N 3.09Å; Y19-R31 CarbonylContact O-C 3.57Å; Y19-R31 VanDerWaalsContact O-CA 3.3Å; Y19-R31 WeakPolarHBondContact O-CA 3.15Å; Y19-Q32 PolarHBondContact O-N 3.49Å; Y19-I33 HydrophobicContact CG-CB 4.35Å; Y19-D37 HydrophobicContact CD2-CB 3.61Å; Y19-D37 HydrophobicContact CE2-CB 4.1Å; Y19-D37 HydrophobicContact CG-CB 3.99Å; Y19-D37 PolarHBondContact N-O 2.84Å
20V98Very high96.6Very high8 Ų856.6 Ų56.65%0.04827%0.274CS..EExtended strand (participates in β ladder)trans-94.5126.5178.2-174.10000111.5R16 G17 I22 A29 G38 V40R16-V20 HydrophobicContact CB-CB 4.39Å; R16-V20 WeakPolarHBondContact CD-O 3.38Å; R16-V20 PolarHBondContact NE-O 3.21Å; G17-V20 PolarHBondContact O-N 2.9Å; V20-I22 HydrophobicContact CG1-CG1 4.21Å; V20-A29 HydrophobicContact CG1-CB 3.93Å; V20-G38 VanDerWaalsContact CG2-CA 3.43Å; V20-V40 HydrophobicContact CB-CG1 4.12Å; V20-V40 HydrophobicContact CG1-CG1 3.61Å; V20-V40 HydrophobicContact CG2-CG1 4.13Å
21E98.1Very high96.7Very high114 Ų11455.4 Ų55.453%0.53327%0.267SS..EExtended strand (participates in β ladder)trans-95.4129.3162.3-173.2179.2-164.300108.9R30 Q32E21-R30 PolarHBondContact N-O 3.44Å; E21-R30 PolarHBondContact O-N 3.22Å; E21-Q32 HydrophobicContact CB-CG 4.02Å; E21-Q32 VanDerWaalsContact CB-NE2 3.28Å; E21-Q32 PolarHBondContact OE2-NE2 2.85Å
22I98.1Very high96.7Very high13 Ų1358.8 Ų58.87%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-102.1134173.6-67176.8000108F11 N12 F13 R16 V20 R26 K28 V40F11-I22 HydrophobicContact CB-CD1 3.85Å; F11-I22 HydrophobicContact CB-CG1 4.46Å; F11-I22 HydrophobicContact CB-CG2 4.29Å; N12-I22 WeakPolarHBondContact O-CD1 3.27Å; F13-I22 HydrophobicContact CD1-CB 3.89Å; F13-I22 HydrophobicContact CD1-CD1 4.39Å; F13-I22 HydrophobicContact CD1-CG2 3.9Å; F13-I22 HydrophobicContact CE1-CB 3.7Å; F13-I22 HydrophobicContact CE1-CG2 3.55Å; F13-I22 HydrophobicContact CZ-CG2 4.2Å; R16-I22 HydrophobicContact CB-CD1 3.82Å; R16-I22 HydrophobicContact CB-CG1 4.47Å; R16-I22 HydrophobicContact CG-CD1 4.43Å; V20-I22 HydrophobicContact CG1-CG1 4.21Å; I22-R26 HydrophobicContact CG2-CB 4.14Å; I22-R26 HydrophobicContact CG2-CG 4.2Å; I22-K28 VanDerWaalsContact CA-O 3.3Å; I22-K28 WeakPolarHBondContact CA-O 3.21Å; I22-V40 HydrophobicContact CD1-CG1 4.37Å
23S96.8Very high96.6Very high23 Ų2363.8 Ų63.816%0.16131%0.309CS..PPolyproline II helixtrans-62.8158.9177.556.40000112.2D25 R26 T27 K28S23-D25 VanDerWaalsContact C-N 3.25Å; S23-D25 VanDerWaalsContact CB-OD1 3.25Å; S23-D25 WeakPolarHBondContact CB-OD1 3.31Å; S23-D25 PolarHBondContact O-N 2.96Å; S23-D25 PolarHBondContact OG-OD1 3.32Å; S23-R26 WeakPolarHBondContact O-CA 3.18Å; S23-R26 PolarHBondContact O-N 3.28Å; S23-T27 PolarHBondContact OG-N 2.92Å; S23-K28 PolarHBondContact N-O 3.4Å; S23-K28 VanDerWaalsContact OG-CB 3.3Å; S23-K28 WeakPolarHBondContact OG-CB 3.06Å; S23-K28 PolarHBondContact OG-N 3.46Å
24P95.6Very high96.7Very high128 Ų12861.7 Ų61.783%0.83131%0.307SS*.THydrogen-bonded Turntrans-57.2-34.7-178.9-27.435.8000114.6R26P24-R26 PolarHBondContact O-N 2.91Å
25D94.2Very high96.7Very high94 Ų9459.1 Ų59.150%0.50329%0.29SS..THydrogen-bonded Turntrans-80.3-217669-21.5000113.4S23 T27S23-D25 VanDerWaalsContact C-N 3.25Å; S23-D25 VanDerWaalsContact CB-OD1 3.25Å; S23-D25 WeakPolarHBondContact CB-OD1 3.31Å; S23-D25 PolarHBondContact O-N 2.96Å; S23-D25 PolarHBondContact OG-OD1 3.32Å; D25-T27 HydrophobicContact CB-CG2 4.43Å; D25-T27 WeakPolarHBondContact O-CG2 3.42Å; D25-T27 PolarHBondContact O-N 3.07Å; D25-T27 PolarHBondContact OD1-N 3.25Å; D25-T27 PolarHBondContact OD1-OG1 3.39Å; D25-T27 PolarHBondContact OD2-OG1 2.84Å
26R96.4Very high96.7Very high79 Ų7959.5 Ų59.530%0.29829%0.293SS..SBendtrans62.321.1178.7-57.4-173.9-65.1175.7-7.6115.3V10 F11 F13 I22 S23 P24V10-R26 HydrophobicContact CB-CB 3.84Å; V10-R26 HydrophobicContact CG1-CB 4.41Å; V10-R26 HydrophobicContact CG2-CB 4.46Å; F11-R26 WeakPolarHBondContact CD2-O 3.41Å; F11-R26 PolarHBondContact N-O 3Å; F11-R26 WeakPolarHBondContact O-CD 3.42Å; F13-R26 HydrophobicContact CD2-CG 3.72Å; F13-R26 HydrophobicContact CE1-CG 4.2Å; F13-R26 HydrophobicContact CE2-CG 3.21Å; F13-R26 HydrophobicContact CG-CG 4.38Å; F13-R26 HydrophobicContact CZ-CG 3.48Å; F13-R26 VanDerWaalsContact CZ-CG 3.48Å; I22-R26 HydrophobicContact CG2-CB 4.14Å; I22-R26 HydrophobicContact CG2-CG 4.2Å; S23-R26 WeakPolarHBondContact O-CA 3.18Å; S23-R26 PolarHBondContact O-N 3.28Å; P24-R26 PolarHBondContact O-N 2.91Å
27T96.1Very high96.7Very high25 Ų2554.6 Ų54.615%0.15328%0.275CS..  trans-101.6-19.9-178.764.90000112.5V10 F11 S23 D25 Q388 L389V10-T27 HydrophobicContact CG1-CG2 4.49Å; F11-T27 VanDerWaalsContact CE2-O 3.23Å; F11-T27 WeakPolarHBondContact CE2-O 3.45Å; S23-T27 PolarHBondContact OG-N 2.92Å; D25-T27 HydrophobicContact CB-CG2 4.43Å; D25-T27 WeakPolarHBondContact O-CG2 3.42Å; D25-T27 PolarHBondContact O-N 3.07Å; D25-T27 PolarHBondContact OD1-N 3.25Å; D25-T27 PolarHBondContact OD1-OG1 3.39Å; D25-T27 PolarHBondContact OD2-OG1 2.84Å; T27-Q388 CarbonylContact O-C 3.43Å; T27-Q388 WeakPolarHBondContact O-CA 3.47Å; T27-Q388 PolarHBondContact OG1-NE2 2.98Å; T27-L389 PolarHBondContact O-N 3.07Å
28K98Very high96.8Very high58 Ų5854.5 Ų54.525%0.25227%0.274SS..EExtended strand (participates in β ladder)trans-107.6136.1176.1-155176173.3-176.60110.9I22 S23 T57 E58 I387 Q388I22-K28 VanDerWaalsContact CA-O 3.3Å; I22-K28 WeakPolarHBondContact CA-O 3.21Å; S23-K28 PolarHBondContact N-O 3.4Å; S23-K28 VanDerWaalsContact OG-CB 3.3Å; S23-K28 WeakPolarHBondContact OG-CB 3.06Å; S23-K28 PolarHBondContact OG-N 3.46Å; K28-T57 WeakPolarHBondContact CE-OG1 3.22Å; K28-E58 IonicContact NZ-OE1 2.79Å; K28-E58 PolarHBondContact NZ-OE1 3.48Å; K28-I387 WeakPolarHBondContact CA-O 3.17Å; K28-I387 WeakPolarHBondContact CG-O 3.19Å; K28-Q388 VanDerWaalsContact CG-OE1 3.27Å
29A98.5Very high96.9Very high0 Ų047.3 Ų47.30%024%0.241CC..EExtended strand (participates in β ladder)trans-120.6121.9167.600000108.9F11 V20 V40 A386 I387F11-A29 HydrophobicContact CD2-CB 3.92Å; F11-A29 HydrophobicContact CE2-CB 3.62Å; F11-A29 HydrophobicContact CZ-CB 4Å; V20-A29 HydrophobicContact CG1-CB 3.93Å; A29-V40 HydrophobicContact CB-CG1 4.06Å; A29-V40 HydrophobicContact CB-CG2 3.99Å; A29-A386 CarbonylContact O-C 3.51Å; A29-A386 VanDerWaalsContact O-CA 3.27Å; A29-A386 WeakPolarHBondContact O-CA 3.33Å; A29-I387 HydrophobicContact CB-CG1 4.04Å; A29-I387 PolarHBondContact N-O 2.83Å; A29-I387 PolarHBondContact O-N 2.91Å
30R98.5Very high96.9Very high74 Ų7443.8 Ų43.828%0.27923%0.227SC..EExtended strand (participates in β ladder)trans-127.3121-178.2179172.2-174.6-83.92.2110.9E21 Q32 E58 A386E21-R30 PolarHBondContact N-O 3.44Å; E21-R30 PolarHBondContact O-N 3.22Å; R30-Q32 PolarHBondContact O-N 2.74Å; R30-E58 IonicContact CZ-OE2 3.65Å; R30-E58 IonicContact NE-OE1 3.66Å; R30-E58 IonicContact NE-OE2 2.79Å; R30-E58 PolarHBondContact NE-OE2 2.81Å; R30-E58 IonicContact NH2-OE2 3.62Å; R30-A386 HydrophobicContact CB-CB 3.87Å; R30-A386 HydrophobicContact CG-CB 3.91Å
31R97.7Very high96.9Very high0 Ų043.4 Ų43.40%022%0.224CC..EExtended strand (participates in β ladder)trans-76.5118.5174.9-177.71724773-4109.9Y19 I33 G34 C36 V380 G382 T384 K385Y19-R31 CarbonylContact O-C 3.57Å; Y19-R31 VanDerWaalsContact O-CA 3.3Å; Y19-R31 WeakPolarHBondContact O-CA 3.15Å; R31-I33 WeakPolarHBondContact CG-O 3.04Å; R31-I33 PolarHBondContact NH1-O 2.68Å; R31-G34 PolarHBondContact NH1-O 2.76Å; R31-C36 WeakPolarHBondContact CD-O 3.5Å; R31-V380 HydrophobicContact CB-CB 4.47Å; R31-V380 HydrophobicContact CB-CG1 3.93Å; R31-V380 VanDerWaalsContact CD-O 3.28Å; R31-V380 WeakPolarHBondContact CD-O 3.42Å; R31-V380 PolarHBondContact NE-O 3.08Å; R31-G382 PolarHBondContact NH2-O 2.78Å; R31-T384 PolarHBondContact NH2-O 3.41Å; R31-K385 PolarHBondContact N-O 2.93Å; R31-K385 WeakPolarHBondContact O-CD 3.4Å; R31-K385 WeakPolarHBondContact O-CE 3.4Å; R31-K385 PolarHBondContact O-NZ 3.12Å
32Q97.5Very high96.9Very high71 Ų7138 Ų3833%0.33220%0.199SC..  trans-74.5-47.1-175.7-63.7-58.4-40.100112.4Y19 E21 R30 K385Y19-Q32 PolarHBondContact O-N 3.49Å; E21-Q32 HydrophobicContact CB-CG 4.02Å; E21-Q32 VanDerWaalsContact CB-NE2 3.28Å; E21-Q32 PolarHBondContact OE2-NE2 2.85Å; R30-Q32 PolarHBondContact O-N 2.74Å; Q32-K385 PolarHBondContact O-NZ 2.7Å
33I94.6Very high96.7Very high110 Ų11041.3 Ų41.356%0.56421%0.214SC*.SBendtrans-129.2159.2-169.3-57.3170.1000110.5Y19 R31Y19-I33 HydrophobicContact CG-CB 4.35Å; R31-I33 WeakPolarHBondContact CG-O 3.04Å; R31-I33 PolarHBondContact NH1-O 2.68Å
34G94.7Very high96.5Very high26 Ų2642.2 Ų42.227%0.26822%0.221SC..SBendtrans71.3-146169.100000114.6R31R31-G34 PolarHBondContact NH1-O 2.76Å
35F95.1Very high96.4Very high73 Ų7339.1 Ų39.132%0.3219%0.194SC..SBendtrans-136.92.7173.863.1-93.1000112.5W63 F85 Y381 G382F35-W63 HydrophobicContact CB-CD2 3.77Å; F35-W63 HydrophobicContact CB-CE3 3.94Å; F35-W63 HydrophobicContact CB-CG 4.04Å; F35-W63 HydrophobicContact CB-CZ3 4.45Å; F35-W63 HydrophobicContact CD1-CD2 4.31Å; F35-W63 AromaticContact CD1-CE3 3.77Å; F35-W63 HydrophobicContact CD1-CE3 3.77Å; F35-W63 AromaticContact CD1-CH2 3.73Å; F35-W63 HydrophobicContact CD1-CH2 3.73Å; F35-W63 HydrophobicContact CD1-CZ2 4.24Å; F35-W63 AromaticContact CD1-CZ3 3.46Å; F35-W63 HydrophobicContact CD1-CZ3 3.46Å; F35-W63 VanDerWaalsContact CD1-CZ3 3.46Å; F35-W63 HydrophobicContact CE1-CH2 4.36Å; F35-W63 HydrophobicContact CE1-CZ3 4.02Å; F35-W63 HydrophobicContact CG-CD2 4.38Å; F35-W63 HydrophobicContact CG-CE3 4.05Å; F35-W63 HydrophobicContact CG-CZ3 4.21Å; F35-F85 HydrophobicContact CD2-CE1 4.36Å; F35-F85 AromaticContact CE2-CE1 3.92Å; F35-F85 HydrophobicContact CE2-CE1 3.92Å; F35-F85 HydrophobicContact CE2-CZ 4.02Å; F35-Y381 AromaticContact CD2-CE2 3.9Å; F35-Y381 HydrophobicContact CD2-CE2 3.9Å; F35-Y381 HydrophobicContact CE2-CE2 4.36Å; F35-Y381 VanDerWaalsContact O-CD2 3.23Å; F35-Y381 WeakPolarHBondContact O-CD2 3.29Å; F35-G382 PolarHBondContact O-N 2.82Å
36C95.9Very high96.4Very high16 Ų1634.6 Ų34.611%0.10817%0.17CC..  trans-138-171.7-172.261.70000111R31 G38 F85R31-C36 WeakPolarHBondContact CD-O 3.5Å; C36-G38 PolarHBondContact O-N 2.96Å; C36-F85 HydrophobicContact CB-CD1 3.95Å; C36-F85 HydrophobicContact CB-CE1 3.27Å; C36-F85 HydrophobicContact CB-CZ 3.69Å
37D97.1Very high96.2Very high8 Ų835.4 Ų35.44%0.04317%0.173CC..  trans56.336.7-174.5-69.5-70.8000111.5G17 Q18 Y19 R84G17-D37 CarbonylContact C-O 3.46Å; G17-D37 WeakPolarHBondContact CA-O 3.41Å; Q18-D37 HydrophobicContact CB-CB 4.24Å; Y19-D37 HydrophobicContact CD2-CB 3.61Å; Y19-D37 HydrophobicContact CE2-CB 4.1Å; Y19-D37 HydrophobicContact CG-CB 3.99Å; Y19-D37 PolarHBondContact N-O 2.84Å; D37-R84 PolarHBondContact N-O 2.87Å; D37-R84 VanDerWaalsContact OD1-CA 3.3Å; D37-R84 WeakPolarHBondContact OD1-CA 3.5Å; D37-R84 WeakPolarHBondContact OD1-CB 3.2Å; D37-R84 VanDerWaalsContact OD1-CG 3.3Å; D37-R84 WeakPolarHBondContact OD1-CG 3.03Å
38G97.6Very high96Very high0 Ų036 Ų360%018%0.177CC..  trans-103.73.7-171.700000114.9V20 C36 V380V20-G38 VanDerWaalsContact CG2-CA 3.43Å; C36-G38 PolarHBondContact O-N 2.96Å; G38-V380 WeakPolarHBondContact O-CB 3.43Å; G38-V380 WeakPolarHBondContact O-CG2 3Å; G38-V380 PolarHBondContact O-N 2.93Å
39V98.5Very high95.7Very high0 Ų033.3 Ų33.30%017%0.166CC..EExtended strand (participates in β ladder)trans-72.1132.2-172.4-174.60000111R16 G17 I41 L82 A86 L90 V377 F378 D379R16-V39 CarbonylContact C-O 3.52Å; R16-V39 WeakPolarHBondContact CA-O 3.47Å; G17-V39 PolarHBondContact N-O 3.08Å; V39-I41 HydrophobicContact CG1-CD1 4.13Å; V39-L82 HydrophobicContact CB-CB 4.5Å; V39-L82 HydrophobicContact CB-CD1 4.32Å; V39-L82 HydrophobicContact CG1-CD1 4.15Å; V39-L82 HydrophobicContact CG1-CD2 4.04Å; V39-A86 HydrophobicContact CG2-CB 4.1Å; V39-L90 HydrophobicContact CG1-CD1 4.16Å; V39-V377 HydrophobicContact CG1-CG1 4.2Å; V39-F378 CarbonylContact C-O 3.52Å; V39-F378 WeakPolarHBondContact CA-O 3.21Å; V39-D379 HydrophobicContact CG2-CB 4.26Å
40V98.3Very high95.3Very high0 Ų033.5 Ų33.50%017%0.167CC..EExtended strand (participates in β ladder)trans-136149.4171.6-67.40000110.9F11 R16 V20 I22 A29 F378F11-V40 HydrophobicContact CD1-CB 4.12Å; F11-V40 HydrophobicContact CD1-CG2 3.73Å; F11-V40 HydrophobicContact CE1-CG2 3.63Å; F11-V40 HydrophobicContact CG-CG2 4.48Å; F11-V40 HydrophobicContact CZ-CG2 4.29Å; R16-V40 HydrophobicContact CB-CG1 4.01Å; V20-V40 HydrophobicContact CB-CG1 4.12Å; V20-V40 HydrophobicContact CG1-CG1 3.61Å; V20-V40 HydrophobicContact CG2-CG1 4.13Å; I22-V40 HydrophobicContact CD1-CG1 4.37Å; A29-V40 HydrophobicContact CB-CG1 4.06Å; A29-V40 HydrophobicContact CB-CG2 3.99Å; V40-F378 HydrophobicContact CG2-CB 3.88Å; V40-F378 PolarHBondContact N-O 2.95Å; V40-F378 PolarHBondContact O-N 2.76Å
41I98Very high95.1Very high0 Ų030 Ų300%015%0.154CC..EExtended strand (participates in β ladder)trans-119.8146.6-177.6-49.2-54.8000110.5N12 H15 V39 L82 R375 A376 V377N12-I41 PolarHBondContact N-O 3.38Å; H15-I41 HydrophobicContact CB-CB 3.86Å; H15-I41 HydrophobicContact CB-CG1 3.91Å; H15-I41 PolarHBondContact O-N 3.22Å; V39-I41 HydrophobicContact CG1-CD1 4.13Å; I41-L82 HydrophobicContact CD1-CD2 4.25Å; I41-L82 HydrophobicContact CG1-CD1 4.27Å; I41-L82 HydrophobicContact CG1-CD2 4.07Å; I41-R375 HydrophobicContact CG2-CB 3.49Å; I41-R375 VanDerWaalsContact CG2-CB 3.49Å; I41-R375 HydrophobicContact CG2-CG 4.17Å; I41-A376 CarbonylContact C-O 3.42Å; I41-A376 WeakPolarHBondContact CA-O 3.37Å; I41-V377 HydrophobicContact CD1-CB 4.04Å; I41-V377 HydrophobicContact CD1-CG1 3.72Å; I41-V377 HydrophobicContact CD1-CG2 3.75Å
42S97.1Very high95Very high0 Ų030.1 Ų30.10%016%0.155CC..EExtended strand (participates in β ladder)trans-64144.6170.464.50000111.9S44 R375 A376S42-S44 PolarHBondContact OG-O 3.18Å; S42-R375 VanDerWaalsContact O-CD 3.3Å; S42-R375 WeakPolarHBondContact O-CD 3.05Å; S42-R375 WeakPolarHBondContact OG-CB 3.32Å; S42-A376 PolarHBondContact N-O 3.16Å; S42-A376 PolarHBondContact OG-N 2.87Å
43Q94.8Very high95Very high82 Ų8226.8 Ų26.838%0.38314%0.139SC..SBendtrans-68.8-42.9173.5-177.769.153.400112V10 N12V10-Q43 HydrophobicContact CG2-CB 3.87Å; V10-Q43 PolarHBondContact O-N 3.15Å; N12-Q43 HydrophobicContact CB-CB 4.24Å; N12-Q43 PolarHBondContact ND2-NE2 3.41Å; N12-Q43 PolarHBondContact ND2-OE1 2.92Å; N12-Q43 VanDerWaalsContact ND2-OE1 3.17Å
44S92.2Very high95.1Very high43 Ų4321.6 Ų21.630%0.30111%0.112SC..SBendtrans-85150.2-179.247.80000111.5S42S42-S44 PolarHBondContact OG-O 3.18Å
45F93.8Very high95.2Very high62 Ų6222.7 Ų22.727%0.27211%0.111SC..PPolyproline II helixtrans-71.7136.1161.1-54.1-50.5000109.6E321 T371 R373 M374 R375F45-E321 HydrophobicContact CD2-CG 3.9Å; F45-E321 VanDerWaalsContact CD2-OE1 3.27Å; F45-E321 WeakPolarHBondContact CD2-OE1 3.46Å; F45-E321 HydrophobicContact CE2-CG 4.26Å; F45-T371 HydrophobicContact CB-CG2 3.87Å; F45-R373 VanDerWaalsContact CD1-C 3.49Å; F45-R373 HydrophobicContact CD1-CB 4.03Å; F45-R373 HydrophobicContact CD2-CG 4.22Å; F45-R373 HydrophobicContact CE1-CB 3.84Å; F45-R373 HydrophobicContact CE1-CG 4.24Å; F45-R373 HydrophobicContact CE2-CB 4.35Å; F45-R373 HydrophobicContact CE2-CG 3.88Å; F45-R373 HydrophobicContact CG-CB 4.39Å; F45-R373 HydrophobicContact CZ-CB 4.01Å; F45-R373 HydrophobicContact CZ-CG 3.9Å; F45-M374 CarbonylContact C-O 3.54Å; F45-M374 VanDerWaalsContact CA-O 3.31Å; F45-M374 WeakPolarHBondContact CA-O 3.49Å; F45-R375 HydrophobicContact CD1-CG 3.63Å; F45-R375 HydrophobicContact CE1-CG 4Å
46I94.4Very high95.4Very high0 Ų019.2 Ų19.20%010%0.096CC..PPolyproline II helixtrans-94.6125.4-177.1-51.1-52000107.7T9 E50 V52 F71 Y228 M374 A376T9-I46 HydrophobicContact CG2-CD1 4.34Å; I46-E50 HydrophobicContact CG2-CB 3.86Å; I46-E50 HydrophobicContact CG2-CG 4.23Å; I46-V52 HydrophobicContact CD1-CG2 3.7Å; I46-V52 HydrophobicContact CG1-CG2 4.13Å; I46-V52 HydrophobicContact CG2-CG2 4Å; I46-F71 HydrophobicContact CB-CE1 4.16Å; I46-F71 HydrophobicContact CG1-CE1 4.24Å; I46-F71 HydrophobicContact CG2-CE1 3.95Å; I46-Y228 HydrophobicContact CB-CE1 4.28Å; I46-Y228 HydrophobicContact CG2-CE1 4.12Å; I46-Y228 WeakPolarHBondContact O-CE1 3.12Å; I46-Y228 PolarHBondContact O-OH 3.46Å; I46-M374 PolarHBondContact N-O 2.88Å; I46-A376 HydrophobicContact CD1-CB 4.49Å; I46-A376 HydrophobicContact CG1-CB 4.03Å
47R92.4Very high95.4Very high95 Ų9519.8 Ų19.836%0.35810%0.098SC..PPolyproline II helixtrans-81.2157.7178.2-72.8155-71.3-150.94.7111.7G49 E50 T371R47-G49 PolarHBondContact O-N 3.28Å; R47-E50 HydrophobicContact CB-CB 4.38Å; R47-E50 WeakPolarHBondContact CB-OE2 3.28Å; R47-E50 IonicContact CZ-OE1 2.78Å; R47-E50 IonicContact CZ-OE2 3.82Å; R47-E50 VanDerWaalsContact CZ-OE2 3.3Å; R47-E50 PolarHBondContact N-OE2 2.82Å; R47-E50 IonicContact NE-OE2 2.72Å; R47-E50 PolarHBondContact NE-OE2 3.27Å; R47-E50 VanDerWaalsContact NH2-CD 3.35Å; R47-E50 IonicContact NH2-OE1 2.72Å; R47-E50 PolarHBondContact NH2-OE1 3.36Å; R47-E50 IonicContact NH2-OE2 2.65Å; R47-E50 PolarHBondContact NH2-OE2 2.84Å; R47-E50 WeakPolarHBondContact O-CB 3.46Å; R47-E50 PolarHBondContact O-N 3.43Å; R47-T371 HydrophobicContact CB-CG2 4.36Å; R47-T371 HydrophobicContact CG-CG2 3.37Å; R47-T371 VanDerWaalsContact CG-OG1 3.22Å; R47-T371 WeakPolarHBondContact CG-OG1 3.48Å
48P91.7Very high95.5Very high38 Ų3822 Ų2225%0.24711%0.108CC..THydrogen-bonded Turntrans-54.9130.3172.6-23.132.3000111.6E50 Y228 L230P48-E50 VanDerWaalsContact C-N 3.25Å; P48-E50 PolarHBondContact O-N 3.1Å; P48-Y228 CarbonylContact C-O 3.44Å; P48-Y228 HydrophobicContact CB-CE2 3.98Å; P48-Y228 VanDerWaalsContact CD-OH 3.29Å; P48-Y228 WeakPolarHBondContact CD-OH 3.46Å; P48-Y228 HydrophobicContact CG-CE2 3.73Å; P48-L230 HydrophobicContact CB-CB 4.33Å; P48-L230 HydrophobicContact CG-CB 4.08Å
49G90.4Very high95.5Very high1 Ų124.2 Ų24.21%0.0112%0.122CC..THydrogen-bonded Turntrans76.7-0.9-177.400000115.3R47 T195 Y228 Q394R47-G49 PolarHBondContact O-N 3.28Å; G49-T195 VanDerWaalsContact O-CB 3.3Å; G49-T195 WeakPolarHBondContact O-CB 3.28Å; G49-T195 PolarHBondContact O-OG1 2.97Å; G49-T195 VanDerWaalsContact O-OG1 3.08Å; G49-Y228 PolarHBondContact N-O 2.81Å; G49-Q394 PolarHBondContact O-NE2 3.43Å
50E92.1Very high95.3Very high4 Ų427.1 Ų27.12%0.01914%0.136CC..  trans-73127171-169.1164.7-177.500109.9I7 I46 R47 P48 R197 Y227I7-E50 HydrophobicContact CD1-CG 3.88Å; I7-E50 HydrophobicContact CG1-CG 4.31Å; I7-E50 HydrophobicContact CG2-CG 4.04Å; I7-E50 WeakPolarHBondContact CG2-OE1 3.24Å; I46-E50 HydrophobicContact CG2-CB 3.86Å; I46-E50 HydrophobicContact CG2-CG 4.23Å; R47-E50 HydrophobicContact CB-CB 4.38Å; R47-E50 WeakPolarHBondContact CB-OE2 3.28Å; R47-E50 IonicContact CZ-OE1 2.78Å; R47-E50 IonicContact CZ-OE2 3.82Å; R47-E50 VanDerWaalsContact CZ-OE2 3.3Å; R47-E50 PolarHBondContact N-OE2 2.82Å; R47-E50 IonicContact NE-OE2 2.72Å; R47-E50 PolarHBondContact NE-OE2 3.27Å; R47-E50 VanDerWaalsContact NH2-CD 3.35Å; R47-E50 IonicContact NH2-OE1 2.72Å; R47-E50 PolarHBondContact NH2-OE1 3.36Å; R47-E50 IonicContact NH2-OE2 2.65Å; R47-E50 PolarHBondContact NH2-OE2 2.84Å; R47-E50 WeakPolarHBondContact O-CB 3.46Å; R47-E50 PolarHBondContact O-N 3.43Å; P48-E50 VanDerWaalsContact C-N 3.25Å; P48-E50 PolarHBondContact O-N 3.1Å; E50-R197 VanDerWaalsContact CD-NH1 3.28Å; E50-R197 IonicContact OE1-NH1 2.73Å; E50-R197 IonicContact OE2-CZ 3.71Å; E50-R197 IonicContact OE2-NH1 3.53Å; E50-R197 PolarHBondContact OE2-NH1 3.31Å; E50-R197 IonicContact OE2-NH2 3.13Å; E50-Y227 VanDerWaalsContact O-CB 3.28Å; E50-Y227 WeakPolarHBondContact O-CB 3.41Å
51V93.6Very high95Very high1 Ų138.5 Ų38.51%0.00618%0.179CC..  trans-93.5128.1-179-175.60000109.4L193 T195 V200 L205 A225 Y227 L392 Q394V51-L193 HydrophobicContact CG2-CD2 4.13Å; V51-T195 HydrophobicContact CG2-CG2 3.68Å; V51-V200 HydrophobicContact CB-CG2 4.19Å; V51-V200 HydrophobicContact CG2-CG2 4Å; V51-L205 HydrophobicContact CG1-CD2 4.48Å; V51-A225 HydrophobicContact CG1-CB 3.85Å; V51-Y227 HydrophobicContact CG2-CD1 4.33Å; V51-Y227 HydrophobicContact CG2-CG 4.41Å; V51-L392 HydrophobicContact CB-CD1 4.02Å; V51-L392 HydrophobicContact CG1-CD1 3.6Å; V51-Q394 VanDerWaalsContact N-OE1 3.11Å
52V96.1Very high94.7Very high3 Ų342.3 Ų42.32%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-114.7125.4171.4-174.80000108T9 I46 A225 I226 A376 F378 L389T9-V52 HydrophobicContact CG2-CG1 4.01Å; I46-V52 HydrophobicContact CD1-CG2 3.7Å; I46-V52 HydrophobicContact CG1-CG2 4.13Å; I46-V52 HydrophobicContact CG2-CG2 4Å; V52-A225 CarbonylContact O-C 3.58Å; V52-A225 WeakPolarHBondContact O-CA 3.31Å; V52-I226 HydrophobicContact CB-CG1 4.28Å; V52-I226 PolarHBondContact N-O 2.85Å; V52-I226 PolarHBondContact O-N 3.36Å; V52-A376 HydrophobicContact CG1-CB 4.49Å; V52-F378 HydrophobicContact CG1-CE2 4.41Å; V52-F378 HydrophobicContact CG1-CZ 3.83Å; V52-L389 HydrophobicContact CG1-CD2 3.78Å
53A96.4Very high94.4Very high1 Ų147.1 Ų47.11%0.00824%0.236CC..EExtended strand (participates in β ladder)trans-121.3145.1178.700000112.5L205 I224 A225 L389 R390 L392A53-L205 HydrophobicContact CB-CD2 4.27Å; A53-I224 CarbonylContact C-O 3.57Å; A53-I224 WeakPolarHBondContact CA-O 2.94Å; A53-A225 HydrophobicContact CB-CB 3.65Å; A53-L389 WeakPolarHBondContact O-CA 3.15Å; A53-R390 HydrophobicContact CB-CB 4.19Å; A53-R390 PolarHBondContact O-N 3.02Å; A53-L392 HydrophobicContact CB-CD1 3.69Å; A53-L392 HydrophobicContact CB-CD2 4.07Å; A53-L392 HydrophobicContact CB-CG 4.08Å
54V97.5Very high94.1Very high0 Ų048.9 Ų48.90%025%0.253CS..EExtended strand (participates in β ladder)trans-127.1149170.9-64.80000110.5L67 V223 I224 F378 I387 Q388 L389V54-L67 HydrophobicContact CG2-CD2 4.1Å; V54-V223 WeakPolarHBondContact O-CA 3.08Å; V54-I224 HydrophobicContact CG2-CB 4.15Å; V54-I224 PolarHBondContact N-O 3.47Å; V54-I224 PolarHBondContact O-N 3.15Å; V54-F378 HydrophobicContact CB-CE1 4.3Å; V54-F378 HydrophobicContact CG1-CD1 3.91Å; V54-F378 HydrophobicContact CG1-CE1 3.48Å; V54-F378 VanDerWaalsContact CG1-CE1 3.48Å; V54-F378 HydrophobicContact CG1-CE2 4.49Å; V54-F378 HydrophobicContact CG1-CZ 3.81Å; V54-F378 HydrophobicContact CG2-CD1 4.01Å; V54-F378 HydrophobicContact CG2-CE1 3.8Å; V54-I387 HydrophobicContact CB-CB 4.37Å; V54-I387 HydrophobicContact CG1-CD1 4.34Å; V54-Q388 CarbonylContact C-O 3.54Å; V54-Q388 WeakPolarHBondContact CA-O 3.21Å; V54-L389 HydrophobicContact CG1-CD2 3.69Å; V54-L389 HydrophobicContact CG1-CG 4.14Å
55E96.8Very high94.1Very high50 Ų5047.7 Ų47.723%0.23425%0.248CC..EExtended strand (participates in β ladder)trans-107.6135.9168-178-178.3167.400109.3T57 S222 V223 I387 Q388 R390E55-T57 PolarHBondContact O-N 3.37Å; E55-S222 WeakPolarHBondContact CA-O 3.46Å; E55-V223 HydrophobicContact CG-CG2 4.45Å; E55-I387 CarbonylContact O-C 3.5Å; E55-I387 VanDerWaalsContact O-CA 3.26Å; E55-I387 WeakPolarHBondContact O-CA 3.36Å; E55-Q388 PolarHBondContact N-O 2.88Å; E55-Q388 PolarHBondContact O-N 3.48Å; E55-R390 HydrophobicContact CB-CG 4.3Å
56I97.9Very high94.1Very high0 Ų045.9 Ų45.90%024%0.241CC..EExtended strand (participates in β ladder)trans-76.4111.1170.2-62.4177.3000108.3T59 L67 V218 E219 G221 S222 I224 T384 I387I56-T59 HydrophobicContact CG2-CG2 3.75Å; I56-L67 HydrophobicContact CD1-CD2 4.41Å; I56-L67 HydrophobicContact CG1-CD2 4.32Å; I56-V218 HydrophobicContact CD1-CB 4.49Å; I56-V218 HydrophobicContact CD1-CG1 3.48Å; I56-V218 VanDerWaalsContact CD1-CG1 3.48Å; I56-E219 WeakPolarHBondContact CB-O 3.33Å; I56-E219 WeakPolarHBondContact CG2-O 3.23Å; I56-G221 PolarHBondContact O-N 3.03Å; I56-S222 PolarHBondContact N-O 3.02Å; I56-I224 HydrophobicContact CD1-CD1 3.71Å; I56-I224 HydrophobicContact CG1-CD1 3.78Å; I56-T384 HydrophobicContact CD1-CG2 4.41Å; I56-T384 HydrophobicContact CG1-CG2 4.29Å; I56-T384 HydrophobicContact CG2-CG2 4.19Å; I56-I387 HydrophobicContact CG1-CG2 4.33Å
57T97.6Very high94.3Very high27 Ų2745.9 Ų45.917%0.16624%0.241CC..EExtended strand (participates in β ladder)trans-95.4-25.4-175.752.80000113K28 E55 K220 A386 Q388K28-T57 WeakPolarHBondContact CE-OG1 3.22Å; E55-T57 PolarHBondContact O-N 3.37Å; T57-K220 WeakPolarHBondContact O-CD 3.3Å; T57-K220 VanDerWaalsContact O-CE 3.23Å; T57-K220 WeakPolarHBondContact O-CE 3.37Å; T57-K220 WeakPolarHBondContact O-CG 3.27Å; T57-A386 PolarHBondContact N-O 2.82Å; T57-A386 WeakPolarHBondContact OG1-CB 3.43Å; T57-A386 PolarHBondContact OG1-O 3.32Å; T57-Q388 HydrophobicContact CG2-CB 3.5Å; T57-Q388 VanDerWaalsContact CG2-CB 3.5Å; T57-Q388 HydrophobicContact CG2-CG 4.42Å
58E97.8Very high94.5Very high54 Ų5441.8 Ų41.825%0.25223%0.225SC..EExtended strand (participates in β ladder)trans-143.1136.5179.3-61.8170.3-142.200110.3K28 R30 K385 A386K28-E58 IonicContact NZ-OE1 2.79Å; K28-E58 PolarHBondContact NZ-OE1 3.48Å; R30-E58 IonicContact CZ-OE2 3.65Å; R30-E58 IonicContact NE-OE1 3.66Å; R30-E58 IonicContact NE-OE2 2.79Å; R30-E58 PolarHBondContact NE-OE2 2.81Å; R30-E58 IonicContact NH2-OE2 3.62Å; E58-K385 HydrophobicContact CB-CB 3.94Å; E58-K385 HydrophobicContact CB-CG 4.3Å; E58-K385 WeakPolarHBondContact O-CA 3.42Å; E58-K385 WeakPolarHBondContact O-CB 3.45Å; E58-K385 PolarHBondContact O-N 3.07Å; E58-A386 HydrophobicContact CB-CB 3.76Å; E58-A386 HydrophobicContact CG-CB 3.99Å; E58-A386 PolarHBondContact N-O 3.48Å; E58-A386 PolarHBondContact O-N 2.74Å; E58-A386 VanDerWaalsContact O-N 3.1Å
59T97Very high94.9Very high47 Ų4740 Ų4029%0.28821%0.213SC..EExtended strand (participates in β ladder)trans-118153168.757.40000110I56 K220 Q383I56-T59 HydrophobicContact CG2-CG2 3.75Å; T59-K220 HydrophobicContact CG2-CB 4.46Å; T59-Q383 CarbonylContact C-O 3.49Å; T59-Q383 VanDerWaalsContact CA-O 3.25Å; T59-Q383 WeakPolarHBondContact CA-O 3.37Å
60Q95.1Very high95.2Very high62 Ų6239.9 Ų39.929%0.2921%0.213SC..  trans-119.1117.1177.8-176.6171.5-14.700109.4Q383 K385Q60-Q383 PolarHBondContact N-O 3.06Å; Q60-K385 HydrophobicContact CB-CB 4.21Å; Q60-K385 HydrophobicContact CB-CD 4.29Å; Q60-K385 HydrophobicContact CB-CG 4.47Å; Q60-K385 VanDerWaalsContact OE1-CE 3.25Å
61R91.9Very high95.5Very high238 Ų23839.7 Ų39.790%0.89821%0.212SC*.THydrogen-bonded Turntrans-66.3151.7176.2-63-177.9-179.7176.2-0.5111.1
62G91.3Very high95.7Very high81 Ų8139.7 Ų39.784%0.83521%0.212SC*.THydrogen-bonded Turntrans90.9-6.3175.300000115
63W91.4Very high95.7Very high100 Ų10040 Ų4038%0.37921%0.213SC..  trans-103.8146.4170.5-61.9117.2000110.9F35F35-W63 HydrophobicContact CB-CD2 3.77Å; F35-W63 HydrophobicContact CB-CE3 3.94Å; F35-W63 HydrophobicContact CB-CG 4.04Å; F35-W63 HydrophobicContact CB-CZ3 4.45Å; F35-W63 HydrophobicContact CD1-CD2 4.31Å; F35-W63 AromaticContact CD1-CE3 3.77Å; F35-W63 HydrophobicContact CD1-CE3 3.77Å; F35-W63 AromaticContact CD1-CH2 3.73Å; F35-W63 HydrophobicContact CD1-CH2 3.73Å; F35-W63 HydrophobicContact CD1-CZ2 4.24Å; F35-W63 AromaticContact CD1-CZ3 3.46Å; F35-W63 HydrophobicContact CD1-CZ3 3.46Å; F35-W63 VanDerWaalsContact CD1-CZ3 3.46Å; F35-W63 HydrophobicContact CE1-CH2 4.36Å; F35-W63 HydrophobicContact CE1-CZ3 4.02Å; F35-W63 HydrophobicContact CG-CD2 4.38Å; F35-W63 HydrophobicContact CG-CE3 4.05Å; F35-W63 HydrophobicContact CG-CZ3 4.21Å
64T89Confident95.7Very high120 Ų12040.1 Ų40.174%0.73621%0.214SC*.  trans-96.7166.9167.557.70000109.9G382T64-G382 WeakPolarHBondContact O-CA 3.46Å
65G91.4Very high95.5Very high18 Ų1842.6 Ų42.619%0.18623%0.23CC..  trans83.7166.6-175.300000112.7Q383G65-Q383 WeakPolarHBondContact O-CG 3.4Å; G65-Q383 PolarHBondContact O-N 3.16Å; G65-Q383 PolarHBondContact O-NE2 2.98Å
66D94.1Very high95.3Very high24 Ų2444.1 Ų44.113%0.12824%0.24CC..  trans-145.6170.9-167.558.970.9000112.5R68 V101 G102 V218 Y381D66-R68 PolarHBondContact O-N 3.39Å; D66-V101 PolarHBondContact OD1-N 3.17Å; D66-G102 PolarHBondContact OD1-N 2.86Å; D66-G102 WeakPolarHBondContact OD2-CA 3.43Å; D66-G102 PolarHBondContact OD2-N 3.37Å; D66-V218 HydrophobicContact CB-CB 4.19Å; D66-V218 HydrophobicContact CB-CG1 3.82Å; D66-V218 HydrophobicContact CB-CG2 4.29Å; D66-Y381 CarbonylContact C-O 3.46Å; D66-Y381 WeakPolarHBondContact O-CD1 3.26Å
67L98Very high95Very high0 Ų049.9 Ų49.90%027%0.271CS..  trans-47.5133.6174.8179.863.4000111.2V54 I56 V69 V101 V218 I224 D379 T384 I387V54-L67 HydrophobicContact CG2-CD2 4.1Å; I56-L67 HydrophobicContact CD1-CD2 4.41Å; I56-L67 HydrophobicContact CG1-CD2 4.32Å; L67-V69 HydrophobicContact CD1-CG1 4.27Å; L67-V69 HydrophobicContact CD2-CG1 3.78Å; L67-V69 HydrophobicContact CG-CG1 3.72Å; L67-V101 HydrophobicContact CB-CB 4.48Å; L67-V101 HydrophobicContact CB-CG2 4.07Å; L67-V101 HydrophobicContact CD2-CG2 4.17Å; L67-V101 HydrophobicContact CG-CG2 4.07Å; L67-V101 WeakPolarHBondContact O-CB 3.41Å; L67-V101 WeakPolarHBondContact O-CG2 3.37Å; L67-V101 PolarHBondContact O-N 3.42Å; L67-V218 HydrophobicContact CB-CG1 4.34Å; L67-I224 HydrophobicContact CD2-CD1 4.13Å; L67-I224 HydrophobicContact CD2-CG1 4.38Å; L67-D379 WeakPolarHBondContact CD1-O 3.12Å; L67-T384 HydrophobicContact CB-CG2 4.12Å; L67-T384 HydrophobicContact CD1-CG2 4.4Å; L67-T384 PolarHBondContact N-OG1 3.38Å; L67-T384 VanDerWaalsContact N-OG1 3.1Å; L67-I387 HydrophobicContact CD1-CD1 4.25Å; L67-I387 HydrophobicContact CD1-CG2 3.99Å; L67-I387 HydrophobicContact CD2-CG2 4.16Å
68R98.2Very high94.7Very high8 Ų853.7 Ų53.73%0.0329%0.289CS..EExtended strand (participates in β ladder)trans-112.6136.6168.8-49.6149.6174.2177.9-9.3109.2D66 L87 I98 V99 P100 F378 D379D66-R68 PolarHBondContact O-N 3.39Å; R68-L87 HydrophobicContact CG-CD1 4.37Å; R68-I98 HydrophobicContact CB-CG2 3.8Å; R68-V99 WeakPolarHBondContact CA-O 3.36Å; R68-P100 HydrophobicContact CG-CB 4.21Å; R68-P100 HydrophobicContact CG-CG 4.44Å; R68-F378 CarbonylContact O-C 3.48Å; R68-F378 WeakPolarHBondContact O-CA 3.46Å; R68-D379 HydrophobicContact CB-CB 3.93Å; R68-D379 WeakPolarHBondContact CD-OD2 3.21Å; R68-D379 HydrophobicContact CG-CB 4.43Å; R68-D379 IonicContact CZ-OD2 3.77Å; R68-D379 PolarHBondContact N-O 3.42Å; R68-D379 VanDerWaalsContact N-O 3.14Å; R68-D379 IonicContact NE-OD2 3.99Å; R68-D379 IonicContact NH1-OD2 3.78Å; R68-D379 PolarHBondContact NH1-OD2 3.24Å; R68-D379 PolarHBondContact O-N 2.94Å
69V98.5Very high94.5Very high0 Ų051.1 Ų51.10%028%0.277CS..EExtended strand (participates in β ladder)trans-132.6150.7-174.5-600000110.7L67 I98 V99 V101 I224 I226 I299 V377 F378L67-V69 HydrophobicContact CD1-CG1 4.27Å; L67-V69 HydrophobicContact CD2-CG1 3.78Å; L67-V69 HydrophobicContact CG-CG1 3.72Å; V69-I98 WeakPolarHBondContact O-CA 3.44Å; V69-V99 HydrophobicContact CG2-CG2 4.19Å; V69-V99 PolarHBondContact N-O 3.18Å; V69-V99 PolarHBondContact O-N 3.08Å; V69-V101 HydrophobicContact CG1-CG2 3.99Å; V69-V101 HydrophobicContact CG2-CG2 3.9Å; V69-I224 HydrophobicContact CG1-CG2 4.17Å; V69-I224 HydrophobicContact CG2-CG2 4.15Å; V69-I226 HydrophobicContact CB-CD1 4.5Å; V69-I226 HydrophobicContact CB-CG2 4.04Å; V69-I226 HydrophobicContact CG2-CG2 3.61Å; V69-I299 HydrophobicContact CG2-CD1 3.71Å; V69-I299 HydrophobicContact CG2-CG1 4.39Å; V69-V377 WeakPolarHBondContact CA-O 3.48Å; V69-F378 HydrophobicContact CB-CD1 4.36Å; V69-F378 HydrophobicContact CG1-CD1 3.7Å; V69-F378 HydrophobicContact CG1-CE1 4.1Å
70G98.1Very high94.3Very high0 Ų052.4 Ų52.40%028%0.282CS..EExtended strand (participates in β ladder)trans173.8-160.4-17800000114.8W97 I226 A376 V377G70-W97 CarbonylContact C-O 3.54Å; G70-W97 WeakPolarHBondContact CA-O 3.29Å; G70-I226 WeakPolarHBondContact O-CD1 3.4Å; G70-A376 WeakPolarHBondContact O-CA 3.49Å; G70-V377 PolarHBondContact N-O 3.43Å; G70-V377 PolarHBondContact O-N 2.94Å
71F98.2Very high94.3Very high0 Ų055.4 Ų55.40%031%0.307CS..EExtended strand (participates in β ladder)trans-130.7150.6179-64.5-73.8000111.1I46 S96 W97 I226 Y228 F297 M374 R375 A376I46-F71 HydrophobicContact CB-CE1 4.16Å; I46-F71 HydrophobicContact CG1-CE1 4.24Å; I46-F71 HydrophobicContact CG2-CE1 3.95Å; F71-S96 CarbonylContact O-C 3.52Å; F71-S96 WeakPolarHBondContact O-CA 3.33Å; F71-S96 WeakPolarHBondContact O-CB 3.46Å; F71-W97 PolarHBondContact N-O 2.95Å; F71-W97 PolarHBondContact O-N 3.29Å; F71-I226 HydrophobicContact CE1-CD1 4.01Å; F71-I226 HydrophobicContact CE1-CG1 4.4Å; F71-I226 HydrophobicContact CE2-CB 4.08Å; F71-I226 HydrophobicContact CE2-CD1 4.09Å; F71-I226 HydrophobicContact CE2-CG1 4.29Å; F71-I226 HydrophobicContact CZ-CB 3.98Å; F71-I226 HydrophobicContact CZ-CD1 3.72Å; F71-I226 HydrophobicContact CZ-CG1 3.78Å; F71-Y228 HydrophobicContact CD1-CD1 4.1Å; F71-Y228 HydrophobicContact CD1-CE1 4.42Å; F71-Y228 HydrophobicContact CD2-CD1 4.14Å; F71-Y228 AromaticContact CE1-CD1 3.93Å; F71-Y228 HydrophobicContact CE1-CD1 3.93Å; F71-Y228 HydrophobicContact CE1-CE1 4.35Å; F71-Y228 AromaticContact CE2-CD1 3.95Å; F71-Y228 HydrophobicContact CE2-CD1 3.95Å; F71-Y228 HydrophobicContact CE2-CG 4.47Å; F71-Y228 HydrophobicContact CG-CD1 4.22Å; F71-Y228 AromaticContact CZ-CD1 3.85Å; F71-Y228 HydrophobicContact CZ-CD1 3.85Å; F71-F297 AromaticContact CD2-CD2 3.87Å; F71-F297 HydrophobicContact CD2-CD2 3.87Å; F71-F297 HydrophobicContact CD2-CE2 4.06Å; F71-F297 HydrophobicContact CD2-CG 4.49Å; F71-F297 AromaticContact CE2-CD2 3.66Å; F71-F297 HydrophobicContact CE2-CD2 3.66Å; F71-F297 AromaticContact CE2-CE2 3.76Å; F71-F297 HydrophobicContact CE2-CE2 3.76Å; F71-M374 HydrophobicContact CB-CG 3.71Å; F71-M374 HydrophobicContact CB-SD 3.6Å; F71-M374 HydrophobicContact CD1-CG 4.22Å; F71-M374 HydrophobicContact CD1-SD 4.32Å; F71-M374 HydrophobicContact CG-CG 4.26Å; F71-M374 HydrophobicContact CG-SD 3.97Å; F71-R375 CarbonylContact C-O 3.38Å; F71-R375 VanDerWaalsContact CA-O 3.26Å; F71-R375 WeakPolarHBondContact CA-O 3.49Å; F71-A376 HydrophobicContact CD1-CB 4.4Å; F71-A376 HydrophobicContact CE1-CB 4.22Å
72T97.3Very high94.5Very high0 Ų045 Ų450%027%0.269CS..EExtended strand (participates in β ladder)trans-134.6137.8172.9-1720000110.8L74 L79 S96 M374 R375 V377T72-L74 WeakPolarHBondContact OG1-CB 3.28Å; T72-L74 WeakPolarHBondContact OG1-CG 3.49Å; T72-L74 PolarHBondContact OG1-N 2.74Å; T72-L74 VanDerWaalsContact OG1-N 3.13Å; T72-L79 HydrophobicContact CG2-CD1 4.31Å; T72-L79 HydrophobicContact CG2-CD2 4.23Å; T72-S96 VanDerWaalsContact CB-OG 3.32Å; T72-S96 WeakPolarHBondContact CB-OG 3.16Å; T72-S96 PolarHBondContact OG1-OG 2.87Å; T72-M374 CarbonylContact O-C 3.5Å; T72-M374 VanDerWaalsContact O-CA 3.27Å; T72-M374 WeakPolarHBondContact O-CA 3.33Å; T72-R375 HydrophobicContact CG2-CB 4.32Å; T72-R375 PolarHBondContact N-O 3.37Å; T72-R375 PolarHBondContact O-N 2.88Å; T72-V377 HydrophobicContact CG2-CG2 3.43Å; T72-V377 VanDerWaalsContact CG2-CG2 3.43Å
73L96.2Very high94.8Very high9 Ų942.7 Ų42.75%0.04724%0.239CC..  trans-101.57.6170-16366.3000111.1R95 W97 I315 D319 P372 M374L73-R95 PolarHBondContact N-O 3.48Å; L73-W97 HydrophobicContact CB-CZ3 4.36Å; L73-I315 HydrophobicContact CD2-CG1 4.23Å; L73-I315 HydrophobicContact CD2-CG2 4.03Å; L73-D319 HydrophobicContact CD1-CB 4.22Å; L73-D319 HydrophobicContact CD2-CB 4.14Å; L73-D319 HydrophobicContact CG-CB 4.3Å; L73-P372 HydrophobicContact CD1-CB 4.34Å; L73-M374 HydrophobicContact CD1-CB 4.16Å
74L95.6Very high95Very high5 Ų546 Ų463%0.02625%0.252CS..  trans-67.3135.5-179.9-69.2170.3000111.1T72 L78 L79 L90 P93 R95 R375T72-L74 WeakPolarHBondContact OG1-CB 3.28Å; T72-L74 WeakPolarHBondContact OG1-CG 3.49Å; T72-L74 PolarHBondContact OG1-N 2.74Å; T72-L74 VanDerWaalsContact OG1-N 3.13Å; L74-L78 HydrophobicContact CB-CB 4.46Å; L74-L78 HydrophobicContact CD2-CB 4.23Å; L74-L78 HydrophobicContact CD2-CD1 3.94Å; L74-L79 HydrophobicContact CB-CD1 4.33Å; L74-L79 HydrophobicContact CB-CD2 4Å; L74-L79 HydrophobicContact CB-CG 3.86Å; L74-L79 HydrophobicContact CD1-CD2 4.16Å; L74-L79 VanDerWaalsContact O-CD1 3.32Å; L74-L79 WeakPolarHBondContact O-CD1 3.35Å; L74-L90 HydrophobicContact CD1-CD2 4.13Å; L74-P93 HydrophobicContact CD1-CG 4.49Å; L74-P93 HydrophobicContact CD2-CB 4.06Å; L74-P93 HydrophobicContact CD2-CG 4.44Å; L74-R95 HydrophobicContact CD2-CB 3.82Å; L74-R95 HydrophobicContact CD2-CG 4.42Å; L74-R95 HydrophobicContact CG-CB 4.13Å; L74-R375 PolarHBondContact O-NH2 2.78Å
75P93.6Very high95.4Very high52 Ų5243.6 Ų43.634%0.33823%0.231SC..  trans-69.8161.3171.430.9-36.3000111.9N77 L78 L79P75-N77 VanDerWaalsContact C-N 3.26Å; P75-N77 VanDerWaalsContact CB-OD1 3.25Å; P75-N77 WeakPolarHBondContact CB-OD1 3.27Å; P75-N77 WeakPolarHBondContact CG-OD1 3.45Å; P75-N77 PolarHBondContact O-N 3.33Å; P75-L78 HydrophobicContact CG-CB 4.4Å; P75-L78 HydrophobicContact CG-CD1 4.05Å; P75-L78 HydrophobicContact CG-CG 4.1Å; P75-L78 PolarHBondContact O-N 2.78Å; P75-L79 PolarHBondContact O-N 3.02Å
76D92.3Very high95.6Very high81 Ų8142.8 Ų42.843%0.43322%0.223SC..Hα-helixtrans-56.7-36.5-174-68.8-3.3000113.3H15 L78 L79 L80 R375H15-D76 IonicContact CE1-OD1 3.87Å; H15-D76 IonicContact NE2-OD1 3.29Å; H15-D76 PolarHBondContact NE2-OD1 2.82Å; D76-L78 PolarHBondContact O-N 3.36Å; D76-L79 PolarHBondContact O-N 3.27Å; D76-L79 VanDerWaalsContact O-N 3.12Å; D76-L80 PolarHBondContact O-N 3.37Å; D76-R375 IonicContact OD1-CZ 3.85Å; D76-R375 IonicContact OD1-NH1 3.98Å; D76-R375 PolarHBondContact OD1-NH1 3Å; D76-R375 IonicContact OD1-NH2 2.95Å; D76-R375 PolarHBondContact OD1-NH2 3.48Å
77N91.3Very high95.7Very high122 Ų12242.6 Ų42.665%0.65222%0.221SC*.Hα-helixtrans-65.7-21.8178.566-45.2000113.7P75P75-N77 VanDerWaalsContact C-N 3.26Å; P75-N77 VanDerWaalsContact CB-OD1 3.25Å; P75-N77 WeakPolarHBondContact CB-OD1 3.27Å; P75-N77 WeakPolarHBondContact CG-OD1 3.45Å; P75-N77 PolarHBondContact O-N 3.33Å
78L92Very high95.4Very high106 Ų10645.4 Ų45.456%0.55524%0.24SC*.Hα-helixtrans-98.3-11.3174.7-63.4-176000112.8L74 P75 D76L74-L78 HydrophobicContact CB-CB 4.46Å; L74-L78 HydrophobicContact CD2-CB 4.23Å; L74-L78 HydrophobicContact CD2-CD1 3.94Å; P75-L78 HydrophobicContact CG-CB 4.4Å; P75-L78 HydrophobicContact CG-CD1 4.05Å; P75-L78 HydrophobicContact CG-CG 4.1Å; P75-L78 PolarHBondContact O-N 2.78Å; D76-L78 PolarHBondContact O-N 3.36Å
79L93.7Very high95.2Very high0 Ų047.2 Ų47.20%026%0.256CS..Hα-helixtrans-94.9-25.1176.7-74169.5000113.1T72 L74 P75 D76 P81 L82 L90T72-L79 HydrophobicContact CG2-CD1 4.31Å; T72-L79 HydrophobicContact CG2-CD2 4.23Å; L74-L79 HydrophobicContact CB-CD1 4.33Å; L74-L79 HydrophobicContact CB-CD2 4Å; L74-L79 HydrophobicContact CB-CG 3.86Å; L74-L79 HydrophobicContact CD1-CD2 4.16Å; L74-L79 VanDerWaalsContact O-CD1 3.32Å; L74-L79 WeakPolarHBondContact O-CD1 3.35Å; P75-L79 PolarHBondContact O-N 3.02Å; D76-L79 PolarHBondContact O-N 3.27Å; D76-L79 VanDerWaalsContact O-N 3.12Å; L79-P81 CarbonylContact O-C 3.54Å; L79-L82 HydrophobicContact CB-CD2 4.3Å; L79-L82 HydrophobicContact CD2-CD2 4.17Å; L79-L82 WeakPolarHBondContact O-CA 3.32Å; L79-L82 VanDerWaalsContact O-CD2 3.24Å; L79-L82 WeakPolarHBondContact O-CD2 3.3Å; L79-L82 WeakPolarHBondContact O-CG 3.34Å; L79-L82 PolarHBondContact O-N 2.98Å; L79-L90 HydrophobicContact CD2-CD2 3.89Å
80L93.3Very high95.1Very high74 Ų7447.4 Ų47.439%0.38726%0.257SS..SBendtrans-109.3129.8-175.3-65.5177.9000112D14 D76D14-L80 WeakPolarHBondContact O-CD2 3.15Å; D76-L80 PolarHBondContact O-N 3.37Å
81P94.3Very high94.9Very high126 Ų12648.3 Ų48.382%0.81826%0.263SS*.SBendcis-68.6149.2-7.931.1-35.4000111.9L79L79-P81 CarbonylContact O-C 3.54Å
82L97.2Very high94.6Very high20 Ų2051.1 Ų51.111%0.10528%0.282CS..PPolyproline II helixtrans-66.1144.4177.7-76.5170.4000111H15 V39 I41 L79H15-L82 HydrophobicContact CB-CD1 4.31Å; H15-L82 WeakPolarHBondContact O-CD1 3.05Å; V39-L82 HydrophobicContact CB-CB 4.5Å; V39-L82 HydrophobicContact CB-CD1 4.32Å; V39-L82 HydrophobicContact CG1-CD1 4.15Å; V39-L82 HydrophobicContact CG1-CD2 4.04Å; I41-L82 HydrophobicContact CD1-CD2 4.25Å; I41-L82 HydrophobicContact CG1-CD1 4.27Å; I41-L82 HydrophobicContact CG1-CD2 4.07Å; L79-L82 HydrophobicContact CB-CD2 4.3Å; L79-L82 HydrophobicContact CD2-CD2 4.17Å; L79-L82 WeakPolarHBondContact O-CA 3.32Å; L79-L82 VanDerWaalsContact O-CD2 3.24Å; L79-L82 WeakPolarHBondContact O-CD2 3.3Å; L79-L82 WeakPolarHBondContact O-CG 3.34Å; L79-L82 PolarHBondContact O-N 2.98Å
83P96.3Very high94.3Very high32 Ų3254.2 Ų54.221%0.20830%0.303CS..PPolyproline II helixtrans-71.1158179.230.6-35.7000111.6F85 A89 L90P83-F85 WeakPolarHBondContact CB-O 3.34Å; P83-F85 WeakPolarHBondContact CG-O 3.35Å; P83-F85 PolarHBondContact O-N 3.37Å; P83-A89 HydrophobicContact CB-CB 3.51Å; P83-A89 HydrophobicContact CG-CB 3.73Å; P83-L90 HydrophobicContact CG-CD2 3.75Å; P83-L90 HydrophobicContact CG-CG 3.85Å
84R96Very high94.1Very high168 Ų16856 Ų5663%0.63432%0.323SS*.SBendtrans-61.8-27.6177.5-49.5-160.5-165.1-1693.2113.6D37D37-R84 PolarHBondContact N-O 2.87Å; D37-R84 VanDerWaalsContact OD1-CA 3.3Å; D37-R84 WeakPolarHBondContact OD1-CA 3.5Å; D37-R84 WeakPolarHBondContact OD1-CB 3.2Å; D37-R84 VanDerWaalsContact OD1-CG 3.3Å; D37-R84 WeakPolarHBondContact OD1-CG 3.03Å
85F96.9Very high94.1Very high71 Ų7159.1 Ų59.131%0.31134%0.335SS..  trans-135.7136.1178.2-54.7-74.2000108.5F35 C36 P83 L87 A89 Y381F35-F85 HydrophobicContact CD2-CE1 4.36Å; F35-F85 AromaticContact CE2-CE1 3.92Å; F35-F85 HydrophobicContact CE2-CE1 3.92Å; F35-F85 HydrophobicContact CE2-CZ 4.02Å; C36-F85 HydrophobicContact CB-CD1 3.95Å; C36-F85 HydrophobicContact CB-CE1 3.27Å; C36-F85 HydrophobicContact CB-CZ 3.69Å; P83-F85 WeakPolarHBondContact CB-O 3.34Å; P83-F85 WeakPolarHBondContact CG-O 3.35Å; P83-F85 PolarHBondContact O-N 3.37Å; F85-L87 VanDerWaalsContact C-N 3.29Å; F85-L87 VanDerWaalsContact CB-O 3.27Å; F85-L87 WeakPolarHBondContact CB-O 3.5Å; F85-L87 PolarHBondContact O-N 3.27Å; F85-A89 WeakPolarHBondContact O-CB 3.41Å; F85-Y381 AromaticContact CD1-CD2 3.92Å; F85-Y381 HydrophobicContact CD1-CD2 3.92Å; F85-Y381 AromaticContact CD1-CE2 3.79Å; F85-Y381 HydrophobicContact CD1-CE2 3.79Å; F85-Y381 HydrophobicContact CE1-CD2 4.06Å; F85-Y381 AromaticContact CE1-CE2 3.64Å; F85-Y381 HydrophobicContact CE1-CE2 3.64Å
86A96.7Very high94.2Very high0 Ų056.8 Ų56.80%032%0.32CS..SBendtrans-67.2-34.2175.200000112.1V39 P88 A89 L90 I98 D379V39-A86 HydrophobicContact CG2-CB 4.1Å; A86-P88 CarbonylContact O-C 3.11Å; A86-A89 PolarHBondContact O-N 3.31Å; A86-L90 HydrophobicContact CB-CD1 4.07Å; A86-L90 WeakPolarHBondContact O-CB 3.27Å; A86-L90 PolarHBondContact O-N 3.04Å; A86-I98 HydrophobicContact CB-CD1 3.84Å; A86-I98 HydrophobicContact CB-CG2 4.46Å; A86-D379 HydrophobicContact CB-CB 3.7Å; A86-D379 WeakPolarHBondContact CB-OD2 3.27Å; A86-D379 PolarHBondContact N-OD2 3.36Å
87L95.2Very high94.5Very high20 Ų2053.7 Ų53.711%0.10530%0.302CS..THydrogen-bonded Turntrans-102.7133.3174.2-65.9174.1000110.4R68 F85 V91 I98 P100R68-L87 HydrophobicContact CG-CD1 4.37Å; F85-L87 VanDerWaalsContact C-N 3.29Å; F85-L87 VanDerWaalsContact CB-O 3.27Å; F85-L87 WeakPolarHBondContact CB-O 3.5Å; F85-L87 PolarHBondContact O-N 3.27Å; L87-V91 HydrophobicContact CD2-CB 4.16Å; L87-V91 HydrophobicContact CD2-CG2 3.45Å; L87-V91 VanDerWaalsContact CD2-CG2 3.45Å; L87-I98 HydrophobicContact CD2-CB 4.11Å; L87-I98 HydrophobicContact CD2-CG2 4.3Å; L87-I98 HydrophobicContact CG-CG2 4.25Å; L87-P100 HydrophobicContact CD1-CG 3.84Å
88P93.6Very high94.7Very high59 Ų5948 Ų4838%0.38327%0.272SS..THydrogen-bonded Turncis-84-8.1-4.935.5-36.5000113.4A86 L90 V91 S92 Y275A86-P88 CarbonylContact O-C 3.11Å; P88-L90 PolarHBondContact O-N 2.9Å; P88-L90 VanDerWaalsContact O-N 3.12Å; P88-V91 PolarHBondContact O-N 2.95Å; P88-S92 PolarHBondContact O-N 3.2Å; P88-S92 PolarHBondContact O-OG 3.39Å; P88-S92 VanDerWaalsContact O-OG 3.07Å; P88-Y275 HydrophobicContact CB-CE1 4.25Å; P88-Y275 HydrophobicContact CB-CE2 3.7Å; P88-Y275 VanDerWaalsContact CB-CZ 3.48Å; P88-Y275 WeakPolarHBondContact CB-OH 3Å
89A94Very high94.9Very high46 Ų4643 Ų4338%0.3825%0.245SC..THydrogen-bonded Turntrans-53.8-40.8-161.200000115.6P83 F85 A86 P93P83-A89 HydrophobicContact CB-CB 3.51Å; P83-A89 HydrophobicContact CG-CB 3.73Å; F85-A89 WeakPolarHBondContact O-CB 3.41Å; A86-A89 PolarHBondContact O-N 3.31Å; A89-P93 WeakPolarHBondContact O-CD 3.25Å
90L94.9Very high95Very high4 Ų443.4 Ų43.42%0.02125%0.248CC..THydrogen-bonded Turntrans-83.6-22.4179.6-63.1-176.1000113.1V39 L74 L79 P83 A86 P88 P93 S96 I98 V377V39-L90 HydrophobicContact CG1-CD1 4.16Å; L74-L90 HydrophobicContact CD1-CD2 4.13Å; L79-L90 HydrophobicContact CD2-CD2 3.89Å; P83-L90 HydrophobicContact CG-CD2 3.75Å; P83-L90 HydrophobicContact CG-CG 3.85Å; A86-L90 HydrophobicContact CB-CD1 4.07Å; A86-L90 WeakPolarHBondContact O-CB 3.27Å; A86-L90 PolarHBondContact O-N 3.04Å; P88-L90 PolarHBondContact O-N 2.9Å; P88-L90 VanDerWaalsContact O-N 3.12Å; L90-P93 WeakPolarHBondContact O-CD 3.5Å; L90-S96 WeakPolarHBondContact O-CB 3.48Å; L90-S96 PolarHBondContact O-OG 2.92Å; L90-I98 HydrophobicContact CB-CD1 3.86Å; L90-I98 HydrophobicContact CD1-CD1 3.98Å; L90-V377 HydrophobicContact CD1-CG1 3.92Å
91V94.6Very high95.2Very high19 Ų1939.9 Ų39.912%0.11523%0.229CC..THydrogen-bonded Turntrans-88.7-35-178.11760000111.5L87 P88 P93 G94 I98 Y275L87-V91 HydrophobicContact CD2-CB 4.16Å; L87-V91 HydrophobicContact CD2-CG2 3.45Å; L87-V91 VanDerWaalsContact CD2-CG2 3.45Å; P88-V91 PolarHBondContact O-N 2.95Å; V91-P93 VanDerWaalsContact C-N 3.27Å; V91-P93 VanDerWaalsContact O-N 3.13Å; V91-G94 PolarHBondContact O-N 2.81Å; V91-I98 HydrophobicContact CG2-CB 3.96Å; V91-I98 HydrophobicContact CG2-CD1 4.32Å; V91-I98 HydrophobicContact CG2-CG1 4.14Å; V91-Y275 HydrophobicContact CG1-CG 4.2Å
92S92Very high95.1Very high59 Ų5934.7 Ų34.741%0.41320%0.199SC..THydrogen-bonded Turntrans-50.4-36.7179.7-59.80000114.9P88 G94P88-S92 PolarHBondContact O-N 3.2Å; P88-S92 PolarHBondContact O-OG 3.39Å; P88-S92 VanDerWaalsContact O-OG 3.07Å; S92-G94 PolarHBondContact O-N 2.8Å; S92-G94 VanDerWaalsContact O-N 3.17Å
93P91.6Very high94.8Very high65 Ų6534.8 Ų34.842%0.42220%0.201SC..THydrogen-bonded Turntrans-67.9-5.1174.6-22.635.5000115.2L74 A89 L90 V91 R95L74-P93 HydrophobicContact CD1-CG 4.49Å; L74-P93 HydrophobicContact CD2-CB 4.06Å; L74-P93 HydrophobicContact CD2-CG 4.44Å; A89-P93 WeakPolarHBondContact O-CD 3.25Å; L90-P93 WeakPolarHBondContact O-CD 3.5Å; V91-P93 VanDerWaalsContact C-N 3.27Å; V91-P93 VanDerWaalsContact O-N 3.13Å; P93-R95 VanDerWaalsContact C-N 3.26Å; P93-R95 PolarHBondContact O-N 3.46Å
94G91Very high94.4Very high47 Ų4733.3 Ų33.349%0.48519%0.191SC..SBendtrans72.515.7-179.300000114.5V91 S92V91-G94 PolarHBondContact O-N 2.81Å; S92-G94 PolarHBondContact O-N 2.8Å; S92-G94 VanDerWaalsContact O-N 3.17Å
95R94.8Very high94.1Very high70 Ų7026 Ų2626%0.26417%0.165SC..SBendtrans-122.914-177-54.8-162.871.3-173.9-0.7113.8L73 L74 P93 D319L73-R95 PolarHBondContact N-O 3.48Å; L74-R95 HydrophobicContact CD2-CB 3.82Å; L74-R95 HydrophobicContact CD2-CG 4.42Å; L74-R95 HydrophobicContact CG-CB 4.13Å; P93-R95 VanDerWaalsContact C-N 3.26Å; P93-R95 PolarHBondContact O-N 3.46Å; R95-D319 IonicContact CZ-OD1 2.76Å; R95-D319 IonicContact CZ-OD2 3.86Å; R95-D319 IonicContact NH1-OD1 3.66Å; R95-D319 IonicContact NH2-OD1 3.56Å; R95-D319 PolarHBondContact NH2-OD1 2.81Å; R95-D319 IonicContact NH2-OD2 3.04Å; R95-D319 PolarHBondContact NH2-OD2 3.32Å
96S97.2Very high93.6Very high3 Ų324.8 Ų24.82%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-139.8146.6173.1-42.60000110.9F71 T72 L90F71-S96 CarbonylContact O-C 3.52Å; F71-S96 WeakPolarHBondContact O-CA 3.33Å; F71-S96 WeakPolarHBondContact O-CB 3.46Å; T72-S96 VanDerWaalsContact CB-OG 3.32Å; T72-S96 WeakPolarHBondContact CB-OG 3.16Å; T72-S96 PolarHBondContact OG1-OG 2.87Å; L90-S96 WeakPolarHBondContact O-CB 3.48Å; L90-S96 PolarHBondContact O-OG 2.92Å
97W97.7Very high93Very high17 Ų1725 Ų256%0.06417%0.169CC..EExtended strand (participates in β ladder)trans-125102.8-178.4-60.5-86.3000108.4G70 F71 L73 F295 F297 I309 E311 V313 M374G70-W97 CarbonylContact C-O 3.54Å; G70-W97 WeakPolarHBondContact CA-O 3.29Å; F71-W97 PolarHBondContact N-O 2.95Å; F71-W97 PolarHBondContact O-N 3.29Å; L73-W97 HydrophobicContact CB-CZ3 4.36Å; W97-F295 HydrophobicContact CB-CE1 3.89Å; W97-F295 HydrophobicContact CB-CZ 4.2Å; W97-F295 AromaticContact CD1-CE1 3.62Å; W97-F295 HydrophobicContact CD2-CD1 4.16Å; W97-F295 AromaticContact CD2-CE1 3.53Å; W97-F295 HydrophobicContact CD2-CE1 3.53Å; W97-F295 AromaticContact CD2-CZ 3.77Å; W97-F295 HydrophobicContact CD2-CZ 3.77Å; W97-F295 AromaticContact CE2-CE1 3.89Å; W97-F295 HydrophobicContact CE3-CE1 4.16Å; W97-F295 HydrophobicContact CE3-CE2 4.43Å; W97-F295 AromaticContact CE3-CZ 3.91Å; W97-F295 HydrophobicContact CE3-CZ 3.91Å; W97-F295 HydrophobicContact CG-CD1 4.18Å; W97-F295 AromaticContact CG-CE1 3.37Å; W97-F295 HydrophobicContact CG-CE1 3.37Å; W97-F295 AromaticContact CG-CZ 3.9Å; W97-F295 HydrophobicContact CG-CZ 3.9Å; W97-F295 AromaticContact NE1-CD1 3.93Å; W97-F295 AromaticContact NE1-CE1 3.89Å; W97-F297 HydrophobicContact CB-CD1 4.26Å; W97-I309 HydrophobicContact CB-CD1 4.23Å; W97-E311 PolarHBondContact NE1-OE1 3.08Å; W97-V313 HydrophobicContact CZ2-CB 4.33Å; W97-V313 HydrophobicContact CZ2-CG1 3.6Å; W97-M374 HydrophobicContact CE3-CE 4.2Å; W97-M374 HydrophobicContact CH2-CE 4.19Å; W97-M374 HydrophobicContact CZ3-CE 3.54Å
98I97Very high92.3Very high2 Ų224.4 Ų24.41%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-129.9131.6-171.9-58179.1000109R68 V69 A86 L87 L90 V91 V377R68-I98 HydrophobicContact CB-CG2 3.8Å; V69-I98 WeakPolarHBondContact O-CA 3.44Å; A86-I98 HydrophobicContact CB-CD1 3.84Å; A86-I98 HydrophobicContact CB-CG2 4.46Å; L87-I98 HydrophobicContact CD2-CB 4.11Å; L87-I98 HydrophobicContact CD2-CG2 4.3Å; L87-I98 HydrophobicContact CG-CG2 4.25Å; L90-I98 HydrophobicContact CB-CD1 3.86Å; L90-I98 HydrophobicContact CD1-CD1 3.98Å; V91-I98 HydrophobicContact CG2-CB 3.96Å; V91-I98 HydrophobicContact CG2-CD1 4.32Å; V91-I98 HydrophobicContact CG2-CG1 4.14Å; I98-V377 HydrophobicContact CD1-CB 4.21Å; I98-V377 HydrophobicContact CD1-CG1 3.77Å; I98-V377 HydrophobicContact CD1-CG2 4.47Å
99V95.1Very high91.6Very high1 Ų124.8 Ų24.81%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-121.6137.5177.5-65.20000111.4R68 V69 I253 L272 F297 I299 A308 I309R68-V99 WeakPolarHBondContact CA-O 3.36Å; V69-V99 HydrophobicContact CG2-CG2 4.19Å; V69-V99 PolarHBondContact N-O 3.18Å; V69-V99 PolarHBondContact O-N 3.08Å; V99-I253 HydrophobicContact CG1-CD1 4.47Å; V99-L272 HydrophobicContact CG1-CD1 4.34Å; V99-L272 HydrophobicContact CG1-CD2 4.48Å; V99-F297 HydrophobicContact CB-CE1 4.26Å; V99-F297 HydrophobicContact CG1-CD1 4.37Å; V99-F297 HydrophobicContact CG1-CE1 3.86Å; V99-F297 HydrophobicContact CG2-CE1 3.59Å; V99-F297 HydrophobicContact CG2-CZ 3.79Å; V99-I299 HydrophobicContact CG2-CD1 3.94Å; V99-A308 HydrophobicContact CG1-CB 4.09Å; V99-A308 HydrophobicContact CG2-CB 4.35Å; V99-I309 HydrophobicContact CG1-CD1 4.11Å; V99-I309 HydrophobicContact CG1-CG1 4.31Å
100P96.8Very high90.8Very high8 Ų823.7 Ų23.75%0.05215%0.154CC..EExtended strand (participates in β ladder)trans-66.9129.1165.1-13.728.5000110R68 L87 G102 T103 A104R68-P100 HydrophobicContact CG-CB 4.21Å; R68-P100 HydrophobicContact CG-CG 4.44Å; L87-P100 HydrophobicContact CD1-CG 3.84Å; P100-G102 VanDerWaalsContact C-N 3.3Å; P100-G102 PolarHBondContact O-N 2.78Å; P100-T103 WeakPolarHBondContact O-CB 3.45Å; P100-T103 PolarHBondContact O-N 3.5Å; P100-A104 PolarHBondContact O-N 3.34Å
101V95.6Very high89.1Confident0 Ų033.5 Ų33.50%019%0.191CC..Hα-helixtrans-64.3-38.3-177.7176.30000110.3D66 L67 V69 T103 A104 V105 V218 I224 I299 I301D66-V101 PolarHBondContact OD1-N 3.17Å; L67-V101 HydrophobicContact CB-CB 4.48Å; L67-V101 HydrophobicContact CB-CG2 4.07Å; L67-V101 HydrophobicContact CD2-CG2 4.17Å; L67-V101 HydrophobicContact CG-CG2 4.07Å; L67-V101 WeakPolarHBondContact O-CB 3.41Å; L67-V101 WeakPolarHBondContact O-CG2 3.37Å; L67-V101 PolarHBondContact O-N 3.42Å; V69-V101 HydrophobicContact CG1-CG2 3.99Å; V69-V101 HydrophobicContact CG2-CG2 3.9Å; V101-T103 VanDerWaalsContact C-N 3.28Å; V101-T103 PolarHBondContact O-N 2.81Å; V101-A104 WeakPolarHBondContact O-CB 3.37Å; V101-A104 PolarHBondContact O-N 2.97Å; V101-A104 VanDerWaalsContact O-N 3.11Å; V101-V105 HydrophobicContact CG1-CG2 4.35Å; V101-V105 WeakPolarHBondContact O-CG2 3.43Å; V101-V105 PolarHBondContact O-N 3.09Å; V101-V218 HydrophobicContact CB-CG1 4.28Å; V101-V218 HydrophobicContact CB-CG2 4.26Å; V101-V218 HydrophobicContact CG1-CG1 4.11Å; V101-V218 HydrophobicContact CG1-CG2 3.79Å; V101-I224 HydrophobicContact CG1-CG1 3.86Å; V101-I224 HydrophobicContact CG2-CG1 4.29Å; V101-I224 HydrophobicContact CG2-CG2 4.07Å; V101-I299 HydrophobicContact CG2-CD1 4.22Å; V101-I301 HydrophobicContact CG1-CD1 3.81Å; V101-I301 HydrophobicContact CG1-CG1 4.43Å
102G93Very high87.5Confident18 Ų1838.7 Ų38.719%0.18621%0.214CC..Hα-helixtrans-65.6-31.1179.100000113D66 P100 V105 A106D66-G102 PolarHBondContact OD1-N 2.86Å; D66-G102 WeakPolarHBondContact OD2-CA 3.43Å; D66-G102 PolarHBondContact OD2-N 3.37Å; P100-G102 VanDerWaalsContact C-N 3.3Å; P100-G102 PolarHBondContact O-N 2.78Å; G102-V105 PolarHBondContact O-N 2.94Å; G102-A106 WeakPolarHBondContact O-CB 3.4Å; G102-A106 PolarHBondContact O-N 2.9Å
103T90.2Very high86.1Confident22 Ų2236.1 Ų36.114%0.13520%0.195CC..Hα-helixtrans-65.7-44.2171.5-600000110.8P100 V101 V105 A106 L107 V269P100-T103 WeakPolarHBondContact O-CB 3.45Å; P100-T103 PolarHBondContact O-N 3.5Å; V101-T103 VanDerWaalsContact C-N 3.28Å; V101-T103 PolarHBondContact O-N 2.81Å; T103-V105 VanDerWaalsContact C-N 3.35Å; T103-V105 PolarHBondContact O-N 3.42Å; T103-A106 PolarHBondContact O-N 2.9Å; T103-L107 PolarHBondContact O-N 3.25Å; T103-L107 VanDerWaalsContact O-N 3.17Å; T103-V269 HydrophobicContact CG2-CG2 4.1Å
104A89.2Confident84.7Confident0 Ų037.1 Ų37.10%019%0.194CC..Hα-helixtrans-63.9-39175.300000112.2P100 V101 L107 L108 I299 I301 M306P100-A104 PolarHBondContact O-N 3.34Å; V101-A104 WeakPolarHBondContact O-CB 3.37Å; V101-A104 PolarHBondContact O-N 2.97Å; V101-A104 VanDerWaalsContact O-N 3.11Å; A104-L107 PolarHBondContact O-N 3.49Å; A104-L108 WeakPolarHBondContact O-CG 3.45Å; A104-L108 PolarHBondContact O-N 3.26Å; A104-I299 HydrophobicContact CB-CD1 4.09Å; A104-I299 HydrophobicContact CB-CG2 4.16Å; A104-I301 HydrophobicContact CB-CD1 3.81Å; A104-M306 HydrophobicContact CB-CE 3.91Å
105V89.3Confident83.5Confident15 Ų1538.7 Ų38.79%0.09119%0.194CC..Hα-helixtrans-60.4-48.8173.2167.90000111.4V101 G102 T103 L107 L108 L109 P216 V218 I301V101-V105 HydrophobicContact CG1-CG2 4.35Å; V101-V105 WeakPolarHBondContact O-CG2 3.43Å; V101-V105 PolarHBondContact O-N 3.09Å; G102-V105 PolarHBondContact O-N 2.94Å; T103-V105 VanDerWaalsContact C-N 3.35Å; T103-V105 PolarHBondContact O-N 3.42Å; V105-L107 PolarHBondContact O-N 3.5Å; V105-L108 PolarHBondContact O-N 3.49Å; V105-L108 VanDerWaalsContact O-N 3.14Å; V105-L109 HydrophobicContact CG1-CD1 3.68Å; V105-L109 HydrophobicContact CG1-CG 4.23Å; V105-L109 WeakPolarHBondContact O-CB 3.36Å; V105-L109 WeakPolarHBondContact O-CG 3.47Å; V105-L109 PolarHBondContact O-N 2.85Å; V105-P216 HydrophobicContact CB-CB 4.5Å; V105-P216 HydrophobicContact CG1-CB 4.27Å; V105-P216 VanDerWaalsContact CG1-O 3.27Å; V105-P216 WeakPolarHBondContact CG1-O 3.31Å; V105-P216 HydrophobicContact CG2-CB 4.04Å; V105-V218 HydrophobicContact CG2-CG2 3.92Å; V105-I301 HydrophobicContact CG2-CD1 3.78Å; V105-I301 HydrophobicContact CG2-CG2 4.2Å
106A87Confident81.7Confident46 Ų4639.9 Ų39.938%0.3820%0.2SC..Hα-helixtrans-58.1-38.2-179.600000112G102 T103 S110G102-A106 WeakPolarHBondContact O-CB 3.4Å; G102-A106 PolarHBondContact O-N 2.9Å; T103-A106 PolarHBondContact O-N 2.9Å; A106-S110 PolarHBondContact O-N 3.22Å; A106-S110 VanDerWaalsContact O-N 3.09Å
107L83.5Confident79.9Confident3 Ų342.3 Ų42.32%0.01621%0.208CC..Hα-helixtrans-64.8-51.8173.4-76.5164.6000111.7T103 A104 V105 L109 S110 H113 I253 D256 I260 M306T103-L107 PolarHBondContact O-N 3.25Å; T103-L107 VanDerWaalsContact O-N 3.17Å; A104-L107 PolarHBondContact O-N 3.49Å; V105-L107 PolarHBondContact O-N 3.5Å; L107-L109 PolarHBondContact O-N 2.93Å; L107-L109 VanDerWaalsContact O-N 3.14Å; L107-S110 VanDerWaalsContact O-CB 3.3Å; L107-S110 WeakPolarHBondContact O-CB 3.28Å; L107-S110 PolarHBondContact O-N 3.27Å; L107-S110 PolarHBondContact O-OG 3.34Å; L107-H113 WeakPolarHBondContact O-CB 3.01Å; L107-H113 PolarHBondContact O-ND1 3.48Å; L107-I253 HydrophobicContact CD1-CB 3.9Å; L107-I253 HydrophobicContact CD1-CD1 4.12Å; L107-I253 HydrophobicContact CD1-CG1 3.62Å; L107-I253 HydrophobicContact CD1-CG2 3.61Å; L107-D256 HydrophobicContact CD2-CB 4.37Å; L107-I260 HydrophobicContact CD2-CD1 3.43Å; L107-I260 VanDerWaalsContact CD2-CD1 3.43Å; L107-I260 HydrophobicContact CD2-CG1 3.96Å; L107-I260 HydrophobicContact CG-CD1 3.9Å; L107-M306 HydrophobicContact CB-CE 4.48Å
108L80.3Confident78.3Confident8 Ų847.3 Ų47.34%0.04223%0.23CC..Hα-helixtrans-58.8-27.7178.4-72.8174.5000113.7A104 V105 H113 P216 I301 I304 M306A104-L108 WeakPolarHBondContact O-CG 3.45Å; A104-L108 PolarHBondContact O-N 3.26Å; V105-L108 PolarHBondContact O-N 3.49Å; V105-L108 VanDerWaalsContact O-N 3.14Å; L108-H113 WeakPolarHBondContact O-CB 3.08Å; L108-P216 HydrophobicContact CB-CB 4.35Å; L108-P216 HydrophobicContact CB-CG 4.1Å; L108-P216 HydrophobicContact CD1-CB 3.96Å; L108-P216 HydrophobicContact CD1-CG 3.86Å; L108-I301 HydrophobicContact CD1-CB 4.35Å; L108-I301 HydrophobicContact CD1-CD1 4.18Å; L108-I304 HydrophobicContact CD1-CG2 4.07Å; L108-I304 HydrophobicContact CD2-CG2 3.71Å; L108-M306 HydrophobicContact CD2-CB 4.14Å; L108-M306 HydrophobicContact CD2-CE 4.31Å; L108-M306 HydrophobicContact CD2-CG 4.47Å; L108-M306 HydrophobicContact CD2-SD 3.71Å; L108-M306 HydrophobicContact CG-CE 4.06Å; L108-M306 HydrophobicContact CG-SD 4.06Å
109L80Confident76.7Confident67 Ų6755 Ų5535%0.35126%0.259SS..THydrogen-bonded Turntrans-94.8-4.4178.5-64.1-179.6000113.9V105 L107 Q114V105-L109 HydrophobicContact CG1-CD1 3.68Å; V105-L109 HydrophobicContact CG1-CG 4.23Å; V105-L109 WeakPolarHBondContact O-CB 3.36Å; V105-L109 WeakPolarHBondContact O-CG 3.47Å; V105-L109 PolarHBondContact O-N 2.85Å; L107-L109 PolarHBondContact O-N 2.93Å; L107-L109 VanDerWaalsContact O-N 3.14Å; L109-Q114 WeakPolarHBondContact O-CG 3.42Å; L109-Q114 PolarHBondContact O-NE2 3.21Å
110S75.2Confident75Confident23 Ų2356.5 Ų56.516%0.16127%0.266CS..SBendtrans-62.2155178.8100.10000110.8A106 L107 H112 H113 Q114A106-S110 PolarHBondContact O-N 3.22Å; A106-S110 VanDerWaalsContact O-N 3.09Å; L107-S110 VanDerWaalsContact O-CB 3.3Å; L107-S110 WeakPolarHBondContact O-CB 3.28Å; L107-S110 PolarHBondContact O-N 3.27Å; L107-S110 PolarHBondContact O-OG 3.34Å; S110-H112 PolarHBondContact O-N 3.45Å; S110-H113 CarbonylContact O-C 3.58Å; S110-H113 WeakPolarHBondContact O-CA 3.39Å; S110-H113 WeakPolarHBondContact O-CB 3.28Å; S110-H113 PolarHBondContact O-N 2.87Å; S110-H113 PolarHBondContact OG-ND1 3.08Å; S110-Q114 PolarHBondContact O-N 2.92Å
111R60.6Low73.2Confident210 Ų21058.6 Ų58.679%0.79228%0.275SS*.Hα-helixtrans-53.4-32.2-175.5-74.6-175.4178-176.3-0.1113.5H113R111-H113 VanDerWaalsContact C-N 3.26Å; R111-H113 PolarHBondContact O-N 3.35Å
112H61.4Low71.7Confident129 Ų12963.3 Ų63.360%0.59730%0.3SS*.Hα-helixtrans-69.7-28.2178.8-67.245.9000111.5S110S110-H112 PolarHBondContact O-N 3.45Å
113H62.7Low69.9Low4 Ų467.9 Ų67.92%0.01932%0.315CS..Hα-helixtrans-97.8-21.3-175.9-61.289.1000113.8L107 L108 S110 R111 T115 Y116 W117 M251L107-H113 WeakPolarHBondContact O-CB 3.01Å; L107-H113 PolarHBondContact O-ND1 3.48Å; L108-H113 WeakPolarHBondContact O-CB 3.08Å; S110-H113 CarbonylContact O-C 3.58Å; S110-H113 WeakPolarHBondContact O-CA 3.39Å; S110-H113 WeakPolarHBondContact O-CB 3.28Å; S110-H113 PolarHBondContact O-N 2.87Å; S110-H113 PolarHBondContact OG-ND1 3.08Å; R111-H113 VanDerWaalsContact C-N 3.26Å; R111-H113 PolarHBondContact O-N 3.35Å; H113-T115 PolarHBondContact O-N 3.41Å; H113-T115 VanDerWaalsContact O-N 3.16Å; H113-Y116 WeakPolarHBondContact O-CB 3.21Å; H113-Y116 PolarHBondContact O-N 3.38Å; H113-W117 PolarHBondContact O-N 2.85Å; H113-M251 WeakPolarHBondContact CD2-CE 3.46Å; H113-M251 PolarHBondContact CD2-SD 3.09Å; H113-M251 VanDerWaalsContact NE2-CE 3.28Å; H113-M251 WeakPolarHBondContact NE2-CE 3.49Å; H113-M251 WeakPolarHBondContact NE2-CG 3.3Å; H113-M251 PolarHBondContact NE2-SD 3.2Å
114Q62.1Low68Low87 Ų8769.3 Ų69.341%0.40733%0.326SS..Hα-helixtrans-54.6-37.2179-75.8179.57.600113.3L109 S110 W117 K118L109-Q114 WeakPolarHBondContact O-CG 3.42Å; L109-Q114 PolarHBondContact O-NE2 3.21Å; S110-Q114 PolarHBondContact O-N 2.92Å; Q114-W117 PolarHBondContact O-N 3.3Å; Q114-K118 WeakPolarHBondContact O-CB 3.09Å; Q114-K118 WeakPolarHBondContact O-CG 3.44Å; Q114-K118 PolarHBondContact O-N 2.64Å
115T64.3Low66.2Low80 Ų8070.8 Ų70.849%0.49134%0.341SS..Hα-helixtrans-66.2-39.9178.3-42.40000111.6H113 R119H113-T115 PolarHBondContact O-N 3.41Å; H113-T115 VanDerWaalsContact O-N 3.16Å; T115-R119 VanDerWaalsContact O-CG 3.28Å; T115-R119 WeakPolarHBondContact O-CG 3.36Å; T115-R119 PolarHBondContact O-N 3.39Å; T115-R119 VanDerWaalsContact O-N 3.1Å
116Y58.4Low64.3Low95 Ų9576.2 Ų76.237%0.37336%0.36SS..Hα-helixtrans-63.7-47.2174.3173.6-89.6000110.7H113 K118 R119 Q120 I304H113-Y116 WeakPolarHBondContact O-CB 3.21Å; H113-Y116 PolarHBondContact O-N 3.38Å; Y116-K118 PolarHBondContact O-N 2.63Å; Y116-R119 WeakPolarHBondContact O-CB 3.42Å; Y116-R119 PolarHBondContact O-N 3.39Å; Y116-Q120 PolarHBondContact O-N 3.43Å; Y116-I304 HydrophobicContact CE1-CG2 4.07Å
117W58.5Low62.2Low54 Ų5480.4 Ų80.421%0.20537%0.371CS..Hα-helixtrans-58.6-49.6177.3176.577.9000112.5H113 Q114 R119 Q120 Q121 P215H113-W117 PolarHBondContact O-N 2.85Å; Q114-W117 PolarHBondContact O-N 3.3Å; W117-R119 VanDerWaalsContact C-N 3.28Å; W117-R119 PolarHBondContact O-N 2.9Å; W117-Q120 PolarHBondContact O-N 3.11Å; W117-Q121 HydrophobicContact CD2-CG 4.36Å; W117-Q121 VanDerWaalsContact CH2-CD 3.5Å; W117-Q121 VanDerWaalsContact CH2-OE1 3.26Å; W117-Q121 HydrophobicContact CZ2-CG 4.18Å; W117-Q121 PolarHBondContact O-N 2.74Å; W117-P215 HydrophobicContact CZ2-CB 3.86Å
118K64Low60.3Low121 Ų12186.2 Ų86.253%0.52640%0.402SS..Hα-helixtrans-57-40.9175.8-76.9-178.3-179.8176.90112Q114 Y116 Q120 Q121 L122Q114-K118 WeakPolarHBondContact O-CB 3.09Å; Q114-K118 WeakPolarHBondContact O-CG 3.44Å; Q114-K118 PolarHBondContact O-N 2.64Å; Y116-K118 PolarHBondContact O-N 2.63Å; K118-Q120 VanDerWaalsContact C-N 3.33Å; K118-Q120 PolarHBondContact O-N 2.67Å; K118-Q121 PolarHBondContact O-N 2.76Å; K118-L122 VanDerWaalsContact O-CG 3.3Å; K118-L122 WeakPolarHBondContact O-CG 3.42Å; K118-L122 PolarHBondContact O-N 3.18Å; K118-L122 VanDerWaalsContact O-N 3.1Å
119R63.9Low58.3Low164 Ų16489.2 Ų89.262%0.61942%0.424SS*.Hα-helixtrans-62.9-39.4176-75.4172.5179.9173.51.3111.9T115 Y116 W117 L122 K123T115-R119 VanDerWaalsContact O-CG 3.28Å; T115-R119 WeakPolarHBondContact O-CG 3.36Å; T115-R119 PolarHBondContact O-N 3.39Å; T115-R119 VanDerWaalsContact O-N 3.1Å; Y116-R119 WeakPolarHBondContact O-CB 3.42Å; Y116-R119 PolarHBondContact O-N 3.39Å; W117-R119 VanDerWaalsContact C-N 3.28Å; W117-R119 PolarHBondContact O-N 2.9Å; R119-L122 PolarHBondContact O-N 3.35Å; R119-K123 WeakPolarHBondContact O-CG 3.49Å; R119-K123 PolarHBondContact O-N 3.22Å; R119-K123 VanDerWaalsContact O-N 3.17Å
120Q58.1Low56.4Low32 Ų3293.6 Ų93.615%0.1544%0.44CS..Hα-helixtrans-68.9-42.9179.5-165.865.82.500111.7Y116 W117 K118 L122 K123 S124Y116-Q120 PolarHBondContact O-N 3.43Å; W117-Q120 PolarHBondContact O-N 3.11Å; K118-Q120 VanDerWaalsContact C-N 3.33Å; K118-Q120 PolarHBondContact O-N 2.67Å; Q120-L122 VanDerWaalsContact C-N 3.34Å; Q120-L122 PolarHBondContact O-N 3.03Å; Q120-K123 PolarHBondContact O-N 3.2Å; Q120-S124 PolarHBondContact O-N 3.39Å; Q120-S124 VanDerWaalsContact O-N 3.14Å; Q120-S124 PolarHBondContact O-OG 2.81Å
121Q61Low54.5Low52 Ų5297.7 Ų97.724%0.24346%0.464CS..Hα-helixtrans-58.5-44.4173.6-69.2-163.7-43.600112.3W117 K118 K123 S124 G125 A213W117-Q121 HydrophobicContact CD2-CG 4.36Å; W117-Q121 VanDerWaalsContact CH2-CD 3.5Å; W117-Q121 VanDerWaalsContact CH2-OE1 3.26Å; W117-Q121 HydrophobicContact CZ2-CG 4.18Å; W117-Q121 PolarHBondContact O-N 2.74Å; K118-Q121 PolarHBondContact O-N 2.76Å; Q121-K123 VanDerWaalsContact C-N 3.29Å; Q121-K123 PolarHBondContact O-N 2.83Å; Q121-S124 PolarHBondContact O-N 2.86Å; Q121-G125 PolarHBondContact O-N 3.46Å; Q121-A213 HydrophobicContact CG-CB 4.28Å; Q121-A213 PolarHBondContact NE2-O 2.81Å
122L62.8Low53.3Low100 Ų10094 Ų9452%0.52446%0.46SS..Hα-helixtrans-62.3-35.1178-72.6169.8000112.4K118 R119 Q120 R126K118-L122 VanDerWaalsContact O-CG 3.3Å; K118-L122 WeakPolarHBondContact O-CG 3.42Å; K118-L122 PolarHBondContact O-N 3.18Å; K118-L122 VanDerWaalsContact O-N 3.1Å; R119-L122 PolarHBondContact O-N 3.35Å; Q120-L122 VanDerWaalsContact C-N 3.34Å; Q120-L122 PolarHBondContact O-N 3.03Å; L122-R126 VanDerWaalsContact O-CG 3.28Å; L122-R126 WeakPolarHBondContact O-CG 3.28Å; L122-R126 PolarHBondContact O-N 3.37Å; L122-R126 VanDerWaalsContact O-N 3.14Å
123K55.2Low51.8Low113 Ų11394.5 Ų94.549%0.49147%0.467SS..Hα-helixtrans-66.6-43.2175-72.7175.9-177.7175.10111.7R119 Q120 Q121 V190R119-K123 WeakPolarHBondContact O-CG 3.49Å; R119-K123 PolarHBondContact O-N 3.22Å; R119-K123 VanDerWaalsContact O-N 3.17Å; Q120-K123 PolarHBondContact O-N 3.2Å; Q121-K123 VanDerWaalsContact C-N 3.29Å; Q121-K123 PolarHBondContact O-N 2.83Å; K123-V190 HydrophobicContact CB-CG1 4.07Å; K123-V190 HydrophobicContact CD-CG1 4.19Å
124S51Low50.2Low53 Ų53101.1 Ų101.137%0.37150%0.503SS..Hα-helixtrans-67-43176.9-590000112.2Q120 Q121 R126 H127 L128Q120-S124 PolarHBondContact O-N 3.39Å; Q120-S124 VanDerWaalsContact O-N 3.14Å; Q120-S124 PolarHBondContact O-OG 2.81Å; Q121-S124 PolarHBondContact O-N 2.86Å; S124-R126 PolarHBondContact O-N 3.2Å; S124-H127 PolarHBondContact O-N 2.97Å; S124-L128 PolarHBondContact O-N 3Å
125G50.7Low49Very low31 Ų31103.2 Ų103.232%0.3252%0.524SS..Hα-helixtrans-64.8-38.8179.700000114.1Q121 H127 L128 S129Q121-G125 PolarHBondContact O-N 3.46Å; G125-H127 PolarHBondContact O-N 3Å; G125-L128 PolarHBondContact O-N 3.16Å; G125-S129 PolarHBondContact O-N 2.99Å
126R48.7Very low47.2Very low129 Ų129104.9 Ų104.949%0.48753%0.534SS..Hα-helixtrans-65.4-25.9175.4-73.4-178.2-157.117813.1113.3L122 S124 K130L122-R126 VanDerWaalsContact O-CG 3.28Å; L122-R126 WeakPolarHBondContact O-CG 3.28Å; L122-R126 PolarHBondContact O-N 3.37Å; L122-R126 VanDerWaalsContact O-N 3.14Å; S124-R126 PolarHBondContact O-N 3.2Å; R126-K130 WeakPolarHBondContact O-CG 3.43Å; R126-K130 PolarHBondContact O-N 2.9Å
127H44.7Very low45.8Very low133 Ų133106.1 Ų106.162%0.61655%0.552SS**Hα-helixtrans-80.2-33.6177.6-138.2-75.3000111.6S124 G125S124-H127 PolarHBondContact O-N 2.97Å; G125-H127 PolarHBondContact O-N 3Å
128L41.7Very low44.8Very low126 Ų126111.4 Ų111.466%0.6658%0.583SS**Hα-helixtrans-73.4-32.9175-14775.3000112.3S124 G125 T131S124-L128 PolarHBondContact O-N 3Å; G125-L128 PolarHBondContact O-N 3.16Å; L128-T131 PolarHBondContact O-OG1 3.5Å; L128-T131 VanDerWaalsContact O-OG1 3.06Å
129S40Very low43.1Very low71 Ų71114.5 Ų114.550%0.49760%0.597SS.*Hα-helixtrans-76.7-27176.786.20000113.2G125 T131G125-S129 PolarHBondContact O-N 2.99Å; S129-T131 VanDerWaalsContact C-N 3.31Å
130K39.9Very low41.3Very low159 Ų159114.9 Ų114.969%0.69161%0.611SS**Hα-helixtrans-71.5-23.5176.9-90.5-175.6176.2-175.90113.6R126R126-K130 WeakPolarHBondContact O-CG 3.43Å; R126-K130 PolarHBondContact O-N 2.9Å
131T34.9Very low40Very low108 Ų108118.2 Ų118.266%0.66364%0.638SS**THydrogen-bonded Turntrans-87.5-8.6179.253.40000113.3L128 S129L128-T131 PolarHBondContact O-OG1 3.5Å; L128-T131 VanDerWaalsContact O-OG1 3.06Å; S129-T131 VanDerWaalsContact C-N 3.31Å
132N34.7Very low38.7Very low134 Ų134121.5 Ų121.572%0.71766%0.661SS**SBendtrans-120.612-170.9-145.412.7000116.1
133N31.4Very low36.9Very low139 Ų139124.2 Ų124.274%0.74368%0.676SS**SBendtrans-132.3128.6171.1-76.5-27.9000110.8
134N29Very low35.5Very low143 Ų143125.6 Ų125.677%0.76569%0.686SS**  trans-42148178.3-74.2-35.3000114T136N134-T136 PolarHBondContact O-N 3.38Å; N134-T136 PolarHBondContact O-OG1 3.1Å
135P36.3Very low34.2Very low131 Ų131132.4 Ų132.485%0.85171%0.71SS**  trans-75.8102.5-171.731.7-31.3000109.1
136T26.7Very low32.9Very low115 Ų115136.5 Ų136.571%0.70673%0.732SS**  trans-126.7107.9174.9-5.70000110.4N134N134-T136 PolarHBondContact O-N 3.38Å; N134-T136 PolarHBondContact O-OG1 3.1Å
137T29.2Very low31.7Very low121 Ų121139.6 Ų139.674%0.74275%0.752SS**  trans56.8116.1149.458.50000119.7F139T137-F139 PolarHBondContact O-N 3.19Å
138L36.8Very low30.6Very low165 Ų165144 Ų14486%0.86476%0.763SS**THydrogen-bonded Turntrans-61.836.6-176.5-161.773.3000116.6
139F28.5Very low29.7Very low185 Ų185145 Ų14581%0.81176%0.764SS**THydrogen-bonded Turntrans-124.37.8-177.5-84.3-74.3000117.7T137 S141T137-F139 PolarHBondContact O-N 3.19Å; F139-S141 VanDerWaalsContact C-N 3.32Å; F139-S141 PolarHBondContact O-N 3.3Å
140D27Very low28.9Very low173 Ų173147.4 Ų147.493%0.92578%0.775SS**  trans-97.254.2168.3-72.7-19.7000112.1
141S29.9Very low28.1Very low101 Ų101145.7 Ų145.771%0.70677%0.774SS**  trans-91.4144.4158.6-65.90000109.3F139F139-S141 VanDerWaalsContact C-N 3.32Å; F139-S141 PolarHBondContact O-N 3.3Å
142V33.7Very low27.5Very low122 Ų122146.2 Ų146.274%0.73978%0.777SS**SBendtrans115.4-24.5157.3-172.20000118.3
143N25.5Very low27.4Very low157 Ų157145 Ų14584%0.8478%0.776SS**THydrogen-bonded Turntrans-104.533.8-172.3-84.5-10.1000118.7
144M25.9Very low27Very low142 Ų142143.9 Ų143.970%0.778%0.779SS**THydrogen-bonded Turntrans-113.523.4169.2-118.2-167.191.300115.1
145F22.9Very low26.7Very low196 Ų196145.1 Ų145.186%0.8678%0.783SS**  trans-95.298.6151.1-83-89.4000107.9
146C23.1Very low26.2Very low116 Ų116145.6 Ų145.678%0.78478%0.778SS**  trans-154.692150.5-101.10000105.3R148C146-R148 PolarHBondContact O-N 3.02Å
147E23.2Very low26Very low194 Ų194144.8 Ų144.891%0.90778%0.777SS**  trans-48.890.5151.8-169.9166-148.600106.8Q149E147-Q149 PolarHBondContact O-N 2.91Å
148R22.6Very low25.9Very low226 Ų226146.3 Ų146.385%0.85378%0.779SS**  trans-69.686.9162.9-87.7-171.1-178.8169.11.1105.6C146 V150C146-R148 PolarHBondContact O-N 3.02Å; R148-V150 VanDerWaalsContact C-N 3.32Å; R148-V150 PolarHBondContact O-N 3.49Å
149Q22.4Very low25.1Very low147 Ų147143.8 Ų143.869%0.68778%0.775SS**  trans-33.8106.3138.1-166174.5-16.300107.1E147 D151E147-Q149 PolarHBondContact O-N 2.91Å; Q149-D151 WeakPolarHBondContact CG-OD2 3.44Å; Q149-D151 PolarHBondContact NE2-OD2 3.1Å; Q149-D151 PolarHBondContact O-N 3.17Å
150V24.4Very low24.9Very low121 Ų121138 Ų13873%0.73377%0.767SS**  trans-77.482.2175.1176.70000105.5R148 V152R148-V150 VanDerWaalsContact C-N 3.32Å; R148-V150 PolarHBondContact O-N 3.49Å; V150-V152 HydrophobicContact CG1-CG2 3.98Å
151D22.4Very low24.7Very low124 Ų124139 Ų13966%0.66376%0.764SS**  trans-89.2107.2159.8-72.7-36000107.3Q149Q149-D151 WeakPolarHBondContact CG-OD2 3.44Å; Q149-D151 PolarHBondContact NE2-OD2 3.1Å; Q149-D151 PolarHBondContact O-N 3.17Å
152V22.9Very low24.3Very low118 Ų118141 Ų14172%0.71577%0.765SS**  trans-82.9136.4160.2175.70000105.4V150V150-V152 HydrophobicContact CG1-CG2 3.98Å
153P31.7Very low23.9Very low109 Ų109142.5 Ų142.571%0.70877%0.769SS**  cis-141.5175.324.829.1-4.2000117.4
154S23.5Very low23.8Very low115 Ų115141.9 Ų141.980%0.80477%0.766SS**  trans90.1116.414874.40000121.2
155M22.4Very low23.9Very low170 Ų170140.2 Ų140.284%0.83777%0.766SS**  trans-9.8138.5157.3-55.7-164.193.600120.2
156N25.6Very low23.9Very low140 Ų140138.2 Ų138.275%0.74976%0.764SS**  trans150.399.4132.3-76.4-20.2000108.3
157S22.6Very low24Very low99 Ų99139 Ų13969%0.69276%0.764SS**  88.2149.992.769.10000113.2
158I26.1Very low23.9Very low152 Ų152138.4 Ų138.478%0.77977%0.767SS**  trans88.393172.7-48.1166.6000113.6
159S21.3Very low24.1Very low113 Ų113133.1 Ų133.179%0.7976%0.759SS**  65.7118.769.879.10000115.8
160G23.3Very low24Very low62 Ų62132 Ų13264%0.63976%0.762SS**  trans154.4101.6152.900000118.9
161F23Very low24Very low194 Ų194133.3 Ų133.385%0.85177%0.765SS**  trans44.5113.2138.6-57.7-80.7000120.6
162I21.9Very low24.1Very low144 Ų144132.4 Ų132.474%0.73877%0.769SS**  51113.978.1-52.2177.6000114.6
163N25.9Very low24.3Very low154 Ų154134.6 Ų134.682%0.82477%0.771SS**  trans174.599.3138.7-83.5-24.5000109.8
164N23.1Very low24Very low144 Ų144135.9 Ų135.977%0.7778%0.776SS**  86.6107.293.7-154.716.6000113.8
165P28.3Very low24.2Very low107 Ų107136.7 Ų136.770%0.69577%0.772SS**  trans-102.1118.9-175.534.9-24.5000110.9
166N21.7Very low24.4Very low154 Ų154138.4 Ų138.482%0.82478%0.775SS**  trans-176.183.1163.4-91.5-33.1000111.1
167V26.2Very low24.4Very low131 Ų131139.9 Ų139.979%0.79478%0.777SS**  trans-152.198151.5-179.30000108.5V169V167-V169 HydrophobicContact CG1-CG2 3.68Å
168L21.3Very low24.6Very low182 Ų182140.5 Ų140.595%0.95378%0.779SS**  trans-77.9109.1164.1-91140.5000108
169V25.9Very low24.7Very low115 Ų115137.7 Ų137.770%0.69778%0.778SS**  trans-113.4117.8166.3168.30000108.4V167V167-V169 HydrophobicContact CG1-CG2 3.68Å
170T21.2Very low24.8Very low123 Ų123140.7 Ų140.776%0.75578%0.779SS**  trans-60.4130.5164.6520000109.8
171N24.7Very low25Very low149 Ų149144.9 Ų144.980%0.79779%0.786SS**  trans-160.1132.8145.4-96.6-23.4000111.8
172S23.3Very low25.2Very low105 Ų105143.8 Ų143.873%0.73478%0.784SS**  trans-59.4127.3168.648.50000112.6
173H27.3Very low25.5Very low164 Ų164141.8 Ų141.876%0.75978%0.778SS**  trans-157.9126.4137.5-136.2-96.6000110D175H173-D175 PolarHBondContact O-N 3.49Å
174V25.7Very low25.6Very low136 Ų136139.3 Ų139.382%0.82477%0.769SS**  trans-72.8102.5174.7172.30000106.8
175D27.6Very low26.1Very low133 Ų133136.9 Ų136.971%0.71176%0.761SS**  trans-121121.9166.5-90.3-43.9000110.9H173 Q177H173-D175 PolarHBondContact O-N 3.49Å; D175-Q177 PolarHBondContact O-N 3.29Å
176K26.8Very low26.6Very low206 Ų206134.7 Ų134.790%0.89675%0.747SS**  trans-64.691.4174.6-65.8170.4178175.10108.5
177Q25.9Very low27.3Very low171 Ų171134.5 Ų134.580%0.79974%0.739SS**  trans-109.3136.1158.7-75.9-167.8-9.900109.1D175 A179D175-Q177 PolarHBondContact O-N 3.29Å; Q177-A179 PolarHBondContact O-N 3.02Å
178P26.8Very low28.2Very low111 Ų111132.2 Ų132.272%0.72172%0.718SS**  trans-58.5130.3-174.825.9-32.1000107.2H180P178-H180 PolarHBondContact O-N 3.48Å
179A26.6Very low29.6Very low93 Ų93125.1 Ų125.177%0.76968%0.684SS**  trans-54.896.3171.500000107Q177 L181Q177-A179 PolarHBondContact O-N 3.02Å; A179-L181 PolarHBondContact O-N 3.4Å
180H24.3Very low31Very low176 Ų176121.8 Ų121.882%0.81566%0.663SS**  trans-56.196.3154.6-105.3-86000102.9P178 Q182P178-H180 PolarHBondContact O-N 3.48Å; H180-Q182 PolarHBondContact O-N 2.88Å
181L27.4Very low33.1Very low150 Ų150119.7 Ų119.779%0.78565%0.653SS**  trans-54.190.2159.3-86.6153000103.9A179 V183A179-L181 PolarHBondContact O-N 3.4Å; L181-V183 HydrophobicContact CB-CG2 4.09Å; L181-V183 PolarHBondContact O-N 3.32Å
182Q26.7Very low35.6Very low172 Ų172113.5 Ų113.580%0.80462%0.621SS**  trans-60.784.1154.2-82.5-176.3-16.300103.4H180 T184H180-Q182 PolarHBondContact O-N 2.88Å; Q182-T184 PolarHBondContact O-N 2.76Å
183V27.9Very low38.5Very low101 Ų101109.1 Ų109.161%0.61259%0.589SS**  trans-64.190.2165.7179.70000103.2L181 P185L181-V183 HydrophobicContact CB-CG2 4.09Å; L181-V183 PolarHBondContact O-N 3.32Å; V183-P185 WeakPolarHBondContact O-CD 3.3Å
184T29.3Very low41Very low103 Ų103103.4 Ų103.463%0.63256%0.563SS**  trans-47.5112.6160.1-45.40000104.1Q182 P186Q182-T184 PolarHBondContact O-N 2.76Å; T184-P186 WeakPolarHBondContact O-CD 3.41Å
185P33.3Very low43.8Very low93 Ų9397.2 Ų97.260%0.60453%0.525SS*.  trans-57.6117.6-169.820-29.9000106.1V183 F187V183-P185 WeakPolarHBondContact O-CD 3.3Å; P185-F187 PolarHBondContact O-N 3.35Å
186P38.1Very low46.1Very low61 Ų6194.5 Ų94.540%0.39651%0.507SS..  trans-66.4113.1-173.215.4-16.8000105.6T184 F188 P472T184-P186 WeakPolarHBondContact O-CD 3.41Å; P186-F188 PolarHBondContact O-N 2.91Å; P186-P472 HydrophobicContact CB-CB 3.51Å; P186-P472 HydrophobicContact CB-CG 3.71Å; P186-P472 HydrophobicContact CG-CB 3.53Å; P186-P472 HydrophobicContact CG-CG 3.43Å; P186-P472 VanDerWaalsContact CG-CG 3.43Å
187F37.7Very low48.7Very low150 Ų15087.4 Ų87.466%0.65848%0.475SS*.  trans-54.3115.7179.9-60.7-87.7000106.3P185 C189P185-F187 PolarHBondContact O-N 3.35Å; F187-C189 PolarHBondContact O-N 2.81Å
188F43.6Very low51.4Low82 Ų8279.3 Ų79.336%0.3644%0.437SS..  trans-39.7141.4143.3-64.5-80.6000105.9P186 V190 L473P186-F188 PolarHBondContact O-N 2.91Å; F188-V190 WeakPolarHBondContact O-CG2 3.41Å; F188-V190 PolarHBondContact O-N 2.85Å; F188-L473 WeakPolarHBondContact CE1-O 3.39Å
189C52Low54.1Low34 Ų3479.3 Ų79.323%0.2342%0.423CS..  trans-6193.7160.8164.20000105.6F187 C191 C192F187-C189 PolarHBondContact O-N 2.81Å; C189-C191 WeakPolarHBondContact CB-SG 3.28Å; C189-C191 PolarHBondContact O-N 3.3Å; C189-C191 VanDerWaalsContact O-N 3.1Å; C189-C191 VanDerWaalsContact SG-C 3.54Å; C189-C191 WeakPolarHBondContact SG-CB 3.42Å; C189-C191 CovalentContact SG-SG 2.05Å; C189-C191 PolarHBondContact SG-SG 3.17Å; C189-C192 HydrophobicContact CB-CB 4.44Å; C189-C192 PolarHBondContact O-N 3.33Å; C189-C192 VanDerWaalsContact SG-CB 3.51Å; C189-C192 PolarHBondContact SG-N 3.23Å; C189-C192 VanDerWaalsContact SG-N 3.36Å; C189-C192 PolarHBondContact SG-SG 3.06Å
190V55.8Low56.9Low44 Ų4474.9 Ų74.927%0.26739%0.386SS..THydrogen-bonded Turntrans-62.3-15.7174.3-171.10000108.5K123 F188 C192 L202K123-V190 HydrophobicContact CB-CG1 4.07Å; K123-V190 HydrophobicContact CD-CG1 4.19Å; F188-V190 WeakPolarHBondContact O-CG2 3.41Å; F188-V190 PolarHBondContact O-N 2.85Å; V190-C192 VanDerWaalsContact C-N 3.34Å; V190-L202 WeakPolarHBondContact O-CD1 3.45Å
191C64.2Low59.7Low79 Ų7967.7 Ų67.753%0.53436%0.355SS..THydrogen-bonded Turntrans-71.5-9.2169.540.70000116.1C189 P201 L202C189-C191 WeakPolarHBondContact CB-SG 3.28Å; C189-C191 PolarHBondContact O-N 3.3Å; C189-C191 VanDerWaalsContact O-N 3.1Å; C189-C191 VanDerWaalsContact SG-C 3.54Å; C189-C191 WeakPolarHBondContact SG-CB 3.42Å; C189-C191 CovalentContact SG-SG 2.05Å; C189-C191 PolarHBondContact SG-SG 3.17Å; C191-P201 CarbonylContact O-C 3.45Å; C191-P201 WeakPolarHBondContact O-CA 3.34Å; C191-L202 PolarHBondContact O-N 3.14Å
192C78.1Confident62.4Low19 Ų1961.7 Ų61.713%0.12832%0.324CS..EExtended strand (participates in β ladder)trans-139.8142.7-174.9-69.80000113.7C189 V190 H194 R199 V200C189-C192 HydrophobicContact CB-CB 4.44Å; C189-C192 PolarHBondContact O-N 3.33Å; C189-C192 VanDerWaalsContact SG-CB 3.51Å; C189-C192 PolarHBondContact SG-N 3.23Å; C189-C192 VanDerWaalsContact SG-N 3.36Å; C189-C192 PolarHBondContact SG-SG 3.06Å; V190-C192 VanDerWaalsContact C-N 3.34Å; C192-H194 PolarHBondContact O-CE1 3.04Å; C192-H194 PolarHBondContact O-ND1 3.5Å; C192-R199 HydrophobicContact CB-CB 4.08Å; C192-V200 CarbonylContact C-O 3.6Å; C192-V200 WeakPolarHBondContact CA-O 3.48Å; C192-V200 WeakPolarHBondContact CB-O 3.47Å
193L83.3Confident64.9Low14 Ų1457.5 Ų57.57%0.07331%0.313CS..EExtended strand (participates in β ladder)trans-75.9136.1159.7178.467.3000109.2V51 T195 R199 V200 L202 L205 Y227 V300 D305V51-L193 HydrophobicContact CG2-CD2 4.13Å; L193-T195 HydrophobicContact CG-CG2 4.47Å; L193-R199 CarbonylContact O-C 3.52Å; L193-R199 WeakPolarHBondContact O-CA 3.12Å; L193-V200 PolarHBondContact N-O 2.99Å; L193-V200 PolarHBondContact O-N 2.99Å; L193-L202 HydrophobicContact CB-CD2 4.01Å; L193-L205 HydrophobicContact CB-CD1 3.68Å; L193-L205 HydrophobicContact CD2-CD1 3.57Å; L193-L205 HydrophobicContact CG-CD1 4.28Å; L193-Y227 HydrophobicContact CD1-CE1 4.29Å; L193-Y227 HydrophobicContact CD2-CD1 4.35Å; L193-Y227 HydrophobicContact CD2-CE1 4.01Å; L193-V300 HydrophobicContact CD2-CG2 3.96Å; L193-D305 HydrophobicContact CD1-CB 4.02Å
194H80.2Confident67.8Low43 Ų4354.2 Ų54.220%0.19929%0.291CS..EExtended strand (participates in β ladder)trans-118.5131.7-179.8-64.374.7000110.5C192 P474C192-H194 PolarHBondContact O-CE1 3.04Å; C192-H194 PolarHBondContact O-ND1 3.5Å; H194-P474 HydrophobicContact CB-CB 4.05Å
195T84.1Confident70.6Confident6 Ų649.3 Ų49.34%0.03726%0.261CS..  trans-130.4173-179.564.80000110.2G49 V51 L193 R197 G198 Y227 Q394G49-T195 VanDerWaalsContact O-CB 3.3Å; G49-T195 WeakPolarHBondContact O-CB 3.28Å; G49-T195 PolarHBondContact O-OG1 2.97Å; G49-T195 VanDerWaalsContact O-OG1 3.08Å; V51-T195 HydrophobicContact CG2-CG2 3.68Å; L193-T195 HydrophobicContact CG-CG2 4.47Å; T195-R197 PolarHBondContact O-N 3Å; T195-R197 VanDerWaalsContact O-N 3.13Å; T195-R197 PolarHBondContact OG1-N 3.43Å; T195-G198 PolarHBondContact N-O 3.44Å; T195-G198 PolarHBondContact O-N 2.77Å; T195-G198 PolarHBondContact OG1-N 3.09Å; T195-G198 VanDerWaalsContact OG1-N 3.16Å; T195-G198 PolarHBondContact OG1-O 2.87Å; T195-Y227 HydrophobicContact CG2-CD2 4.13Å; T195-Y227 HydrophobicContact CG2-CE1 4.48Å; T195-Y227 HydrophobicContact CG2-CE2 4.11Å; T195-Y227 HydrophobicContact CG2-CG 4.31Å; T195-Q394 PolarHBondContact OG1-NE2 3.23Å
196K76.9Confident73.2Confident76 Ų7646.9 Ų46.933%0.3325%0.245SC..SBendtrans-57-27.3174.3-69.2-165.8173.3178.60112.9L230 V476K196-L230 PolarHBondContact NZ-O 2.9Å; K196-V476 HydrophobicContact CB-CG1 4.41Å; K196-V476 HydrophobicContact CB-CG2 4.24Å; K196-V476 HydrophobicContact CD-CG1 4.38Å; K196-V476 HydrophobicContact CG-CB 4.13Å; K196-V476 HydrophobicContact CG-CG1 3.63Å; K196-V476 HydrophobicContact CG-CG2 3.39Å
197R81.3Confident75.5Confident58 Ų5844.6 Ų44.622%0.21923%0.23CC..SBendtrans-93.8-23.3-173.8-162.9-157.8178.3112.2-5.5113.3E50 T195E50-R197 VanDerWaalsContact CD-NH1 3.28Å; E50-R197 IonicContact OE1-NH1 2.73Å; E50-R197 IonicContact OE2-CZ 3.71Å; E50-R197 IonicContact OE2-NH1 3.53Å; E50-R197 PolarHBondContact OE2-NH1 3.31Å; E50-R197 IonicContact OE2-NH2 3.13Å; T195-R197 PolarHBondContact O-N 3Å; T195-R197 VanDerWaalsContact O-N 3.13Å; T195-R197 PolarHBondContact OG1-N 3.43Å
198G82.4Confident77.4Confident1 Ų142.7 Ų42.71%0.0123%0.226CC..  trans159.6-168.5-177.400000114.2T195 N395T195-G198 PolarHBondContact N-O 3.44Å; T195-G198 PolarHBondContact O-N 2.77Å; T195-G198 PolarHBondContact OG1-N 3.09Å; T195-G198 VanDerWaalsContact OG1-N 3.16Å; T195-G198 PolarHBondContact OG1-O 2.87Å; G198-N395 CarbonylContact C-O 3.52Å; G198-N395 WeakPolarHBondContact CA-O 3.5Å
199R82.5Confident78.5Confident111 Ų11144.5 Ų44.542%0.41924%0.236SC..EExtended strand (participates in β ladder)trans-110.7141.5176.258.7-177-171.4-1793.9112.2C192 L193 Q394 N395 I397C192-R199 HydrophobicContact CB-CB 4.08Å; L193-R199 CarbonylContact O-C 3.52Å; L193-R199 WeakPolarHBondContact O-CA 3.12Å; R199-Q394 WeakPolarHBondContact O-CA 3.49Å; R199-N395 HydrophobicContact CG-CB 4.25Å; R199-N395 PolarHBondContact N-O 2.96Å; R199-N395 PolarHBondContact O-N 3.4Å; R199-I397 HydrophobicContact CB-CD1 3.72Å; R199-I397 HydrophobicContact CB-CG1 4.24Å; R199-I397 HydrophobicContact CG-CD1 3.96Å; R199-I397 HydrophobicContact CG-CG1 3.96Å
200V85.8Confident78.4Confident0 Ų051 Ų510%027%0.267CS..EExtended strand (participates in β ladder)trans-115.9126.4171.8-178.40000108.3V51 C192 L193 L202 L205 L392 Q394V51-V200 HydrophobicContact CB-CG2 4.19Å; V51-V200 HydrophobicContact CG2-CG2 4Å; C192-V200 CarbonylContact C-O 3.6Å; C192-V200 WeakPolarHBondContact CA-O 3.48Å; C192-V200 WeakPolarHBondContact CB-O 3.47Å; L193-V200 PolarHBondContact N-O 2.99Å; L193-V200 PolarHBondContact O-N 2.99Å; V200-L202 PolarHBondContact O-N 3.14Å; V200-L205 HydrophobicContact CB-CD1 4.28Å; V200-L205 HydrophobicContact CG1-CD1 4Å; V200-L205 HydrophobicContact CG1-CD2 4.05Å; V200-L205 HydrophobicContact CG1-CG 3.91Å; V200-L392 HydrophobicContact CG1-CD1 4.37Å; V200-L392 HydrophobicContact CG1-CD2 4.26Å; V200-Q394 HydrophobicContact CG2-CB 3.9Å; V200-Q394 HydrophobicContact CG2-CG 3.78Å
201P84.1Confident78.1Confident24 Ų2457 Ų5716%0.15629%0.293CS..EExtended strand (participates in β ladder)trans-56.8129.7172.8-24.134.9000111.4C191 S203 Q204 Q393C191-P201 CarbonylContact O-C 3.45Å; C191-P201 WeakPolarHBondContact O-CA 3.34Å; P201-S203 WeakPolarHBondContact CB-OG 3.42Å; P201-S203 PolarHBondContact O-N 3.39Å; P201-S203 VanDerWaalsContact O-N 3.17Å; P201-Q204 HydrophobicContact CB-CG 4.48Å; P201-Q204 WeakPolarHBondContact O-CB 3.42Å; P201-Q204 PolarHBondContact O-N 2.94Å; P201-Q393 WeakPolarHBondContact CD-O 3.34Å
202L82.3Confident77.6Confident25 Ų2560 Ų6013%0.13130%0.302CS..G310 helixtrans-60.1-25.8175.5-70.8-169.5000111.6V190 C191 L193 V200 Q204 L205 V206V190-L202 WeakPolarHBondContact O-CD1 3.45Å; C191-L202 PolarHBondContact O-N 3.14Å; L193-L202 HydrophobicContact CB-CD2 4.01Å; V200-L202 PolarHBondContact O-N 3.14Å; L202-Q204 PolarHBondContact O-N 3.02Å; L202-Q204 VanDerWaalsContact O-N 3.11Å; L202-L205 HydrophobicContact CD2-CD1 4.15Å; L202-L205 CarbonylContact O-C 3.46Å; L202-L205 WeakPolarHBondContact O-CA 3.33Å; L202-L205 PolarHBondContact O-N 3.27Å; L202-V206 WeakPolarHBondContact O-CG1 3.28Å; L202-V206 WeakPolarHBondContact O-CG2 3.39Å; L202-V206 PolarHBondContact O-N 3.37Å
203S80.9Confident76.9Confident84 Ų8460.5 Ų60.559%0.58731%0.308SS*.G310 helixtrans-57.8-21.2172.355.30000113.8P201P201-S203 WeakPolarHBondContact CB-OG 3.42Å; P201-S203 PolarHBondContact O-N 3.39Å; P201-S203 VanDerWaalsContact O-N 3.17Å
204Q88Confident76.4Confident31 Ų3162 Ų6215%0.14531%0.313CS..G310 helixtrans-93.7-12.3174.2-61.7177.528.800113P201 L202 R390 L392P201-Q204 HydrophobicContact CB-CG 4.48Å; P201-Q204 WeakPolarHBondContact O-CB 3.42Å; P201-Q204 PolarHBondContact O-N 2.94Å; L202-Q204 PolarHBondContact O-N 3.02Å; L202-Q204 VanDerWaalsContact O-N 3.11Å; Q204-R390 PolarHBondContact O-NH1 2.95Å; Q204-L392 HydrophobicContact CB-CD2 3.91Å
205L89.1Confident76.4Confident1 Ų162.6 Ų62.61%0.00532%0.321CS..THydrogen-bonded Turntrans-105.5-0.3-179.7-58.3-179.4000112.7V51 A53 L193 V200 L202 A225 V300 N302 G303 L392V51-L205 HydrophobicContact CG1-CD2 4.48Å; A53-L205 HydrophobicContact CB-CD2 4.27Å; L193-L205 HydrophobicContact CB-CD1 3.68Å; L193-L205 HydrophobicContact CD2-CD1 3.57Å; L193-L205 HydrophobicContact CG-CD1 4.28Å; V200-L205 HydrophobicContact CB-CD1 4.28Å; V200-L205 HydrophobicContact CG1-CD1 4Å; V200-L205 HydrophobicContact CG1-CD2 4.05Å; V200-L205 HydrophobicContact CG1-CG 3.91Å; L202-L205 HydrophobicContact CD2-CD1 4.15Å; L202-L205 CarbonylContact O-C 3.46Å; L202-L205 WeakPolarHBondContact O-CA 3.33Å; L202-L205 PolarHBondContact O-N 3.27Å; L205-A225 HydrophobicContact CD2-CB 3.85Å; L205-V300 HydrophobicContact CD1-CG1 4.39Å; L205-N302 CarbonylContact O-C 3.59Å; L205-G303 PolarHBondContact O-N 2.75Å; L205-L392 HydrophobicContact CD2-CD1 4.14Å; L205-L392 HydrophobicContact CD2-CD2 4.05Å
206V86.2Confident76.5Confident42 Ų4262.5 Ų62.526%0.25532%0.32SS..SBendtrans-109.6153.9172.1-610000110L202 R390L202-V206 WeakPolarHBondContact O-CG1 3.28Å; L202-V206 WeakPolarHBondContact O-CG2 3.39Å; L202-V206 PolarHBondContact O-N 3.37Å; V206-R390 PolarHBondContact O-NH1 2.82Å
207P86.2Confident77Confident12 Ų1260.4 Ų60.48%0.07831%0.312CS..  trans-55.1150.3168.7-23.132.8000111.7E209 R214 G221 V223 N302P207-E209 PolarHBondContact O-N 3.04Å; P207-R214 HydrophobicContact CG-CB 4.29Å; P207-G221 WeakPolarHBondContact CB-O 3.49Å; P207-G221 WeakPolarHBondContact CG-O 2.99Å; P207-V223 HydrophobicContact CG-CG2 4.49Å; P207-N302 WeakPolarHBondContact CG-OD1 3.19Å
208N79.3Confident77.5Confident110 Ų11058.2 Ų58.259%0.58831%0.305SS*.SBendtrans-73.7-13-178.3-63.3-28.1000113.7L210 R390N208-L210 PolarHBondContact O-N 3.48Å; N208-R390 PolarHBondContact OD1-NH2 2.83Å
209E66.3Low78Confident121 Ų12162.2 Ų62.257%0.56532%0.324SS*.  trans-58.9117.7178.7-67.3166.3170.800109.2P207 E211 R214P207-E209 PolarHBondContact O-N 3.04Å; E209-E211 PolarHBondContact O-N 3.01Å; E209-R214 IonicContact OE1-NH1 2.88Å; E209-R214 IonicContact OE2-NH1 3.25Å; E209-R214 PolarHBondContact OE2-NH1 3.42Å; E209-R214 VanDerWaalsContact OE2-NH1 3.11Å
210L50.4Low78.6Confident170 Ų17063.4 Ų63.489%0.8933%0.332SS*.SBendtrans-66.8-0.8-173.7-86.294.5000114.4N208 L212N208-L210 PolarHBondContact O-N 3.48Å; L210-L212 PolarHBondContact O-N 2.61Å
211E48.6Very low78.9Confident171 Ų17163.8 Ų63.880%0.79934%0.336SS*.SBendtrans-95.288-171.5-66.5-174.9178.900111.4E209E209-E211 PolarHBondContact O-N 3.01Å
212L53.2Low79.4Confident140 Ų14062.7 Ų62.773%0.73333%0.329SS*.SBendtrans59.5168.5173.5-68.3151.1000114.3L210 R214L210-L212 PolarHBondContact O-N 2.61Å; L212-R214 PolarHBondContact O-N 3.05Å
213A64Low80Confident30 Ų3061.5 Ų61.525%0.24832%0.323CS..  trans-69.497.9171.100000108.5Q121Q121-A213 HydrophobicContact CG-CB 4.28Å; Q121-A213 PolarHBondContact NE2-O 2.81Å
214R73.6Confident80.8Confident45 Ų4557.6 Ų57.617%0.1730%0.295CS..PPolyproline II helixtrans-46.5130.2172.2-173.5178.9177.1166.4-19.9109.2P207 E209 L212 D217 K220P207-R214 HydrophobicContact CG-CB 4.29Å; E209-R214 IonicContact OE1-NH1 2.88Å; E209-R214 IonicContact OE2-NH1 3.25Å; E209-R214 PolarHBondContact OE2-NH1 3.42Å; E209-R214 VanDerWaalsContact OE2-NH1 3.11Å; L212-R214 PolarHBondContact O-N 3.05Å; R214-D217 IonicContact CZ-OD1 3.3Å; R214-D217 IonicContact CZ-OD2 2.99Å; R214-D217 VanDerWaalsContact CZ-OD2 3.25Å; R214-D217 IonicContact NE-OD1 2.76Å; R214-D217 IonicContact NE-OD2 3.88Å; R214-D217 PolarHBondContact NE-OD2 3.43Å; R214-D217 IonicContact NH2-OD1 3.96Å; R214-D217 IonicContact NH2-OD2 2.94Å; R214-D217 PolarHBondContact NH2-OD2 3.14Å; R214-K220 PolarHBondContact NH1-O 3.5Å; R214-K220 PolarHBondContact NH2-O 3.28Å
215P80.3Confident81.2Confident57 Ų5756.2 Ų56.237%0.3729%0.289SS..PPolyproline II helixtrans-58.4155.7177.324.7-33.3000111W117 D217 N302W117-P215 HydrophobicContact CZ2-CB 3.86Å; P215-D217 PolarHBondContact O-N 2.87Å; P215-N302 PolarHBondContact O-ND2 3.4Å
216P84.9Confident81.6Confident3 Ų356.2 Ų56.22%0.01929%0.289CS..SBendtrans-52.8128.6167.3-25.634.5000110.8V105 L108 I301 I304V105-P216 HydrophobicContact CB-CB 4.5Å; V105-P216 HydrophobicContact CG1-CB 4.27Å; V105-P216 VanDerWaalsContact CG1-O 3.27Å; V105-P216 WeakPolarHBondContact CG1-O 3.31Å; V105-P216 HydrophobicContact CG2-CB 4.04Å; L108-P216 HydrophobicContact CB-CB 4.35Å; L108-P216 HydrophobicContact CB-CG 4.1Å; L108-P216 HydrophobicContact CD1-CB 3.96Å; L108-P216 HydrophobicContact CD1-CG 3.86Å; P216-I301 HydrophobicContact CB-CB 4.32Å; P216-I301 HydrophobicContact CB-CG2 3.94Å; P216-I304 HydrophobicContact CG-CD1 3.49Å; P216-I304 VanDerWaalsContact CG-CD1 3.49Å
217D87.6Confident82Confident32 Ų3254.3 Ų54.317%0.17128%0.278CS..  trans-157.1177.8-179.761.13.3000110.3R214 P215 S222 N302R214-D217 IonicContact CZ-OD1 3.3Å; R214-D217 IonicContact CZ-OD2 2.99Å; R214-D217 VanDerWaalsContact CZ-OD2 3.25Å; R214-D217 IonicContact NE-OD1 2.76Å; R214-D217 IonicContact NE-OD2 3.88Å; R214-D217 PolarHBondContact NE-OD2 3.43Å; R214-D217 IonicContact NH2-OD1 3.96Å; R214-D217 IonicContact NH2-OD2 2.94Å; R214-D217 PolarHBondContact NH2-OD2 3.14Å; P215-D217 PolarHBondContact O-N 2.87Å; D217-S222 WeakPolarHBondContact OD1-CB 3.46Å; D217-S222 PolarHBondContact OD1-OG 3.22Å; D217-N302 PolarHBondContact OD1-ND2 3.37Å
218V91.5Very high82.4Confident12 Ų1253.8 Ų53.87%0.07327%0.274CS..  trans-129.250.2179.2-153.20000111.6I56 D66 L67 V101 V105I56-V218 HydrophobicContact CD1-CB 4.49Å; I56-V218 HydrophobicContact CD1-CG1 3.48Å; I56-V218 VanDerWaalsContact CD1-CG1 3.48Å; D66-V218 HydrophobicContact CB-CB 4.19Å; D66-V218 HydrophobicContact CB-CG1 3.82Å; D66-V218 HydrophobicContact CB-CG2 4.29Å; L67-V218 HydrophobicContact CB-CG1 4.34Å; V101-V218 HydrophobicContact CB-CG1 4.28Å; V101-V218 HydrophobicContact CB-CG2 4.26Å; V101-V218 HydrophobicContact CG1-CG1 4.11Å; V101-V218 HydrophobicContact CG1-CG2 3.79Å; V105-V218 HydrophobicContact CG2-CG2 3.92Å
219E92.9Very high83Confident86 Ų8648.7 Ų48.740%0.40225%0.247SC..SBendtrans-112.9175.6-174.4-76.2-64.2167.600111.2I56 G221 S222I56-E219 WeakPolarHBondContact CB-O 3.33Å; I56-E219 WeakPolarHBondContact CG2-O 3.23Å; E219-G221 PolarHBondContact O-N 3.18Å; E219-S222 PolarHBondContact N-OG 3.32Å; E219-S222 WeakPolarHBondContact O-CB 3.43Å; E219-S222 PolarHBondContact O-N 3.14Å; E219-S222 VanDerWaalsContact O-N 3.13Å; E219-S222 PolarHBondContact O-OG 3.26Å
220K94.7Very high84.1Confident135 Ų13543.7 Ų43.759%0.58722%0.224SC*.THydrogen-bonded Turntrans-58.1134.6172-178.4179174.7-175.60110.3T57 T59 R214 S222T57-K220 WeakPolarHBondContact O-CD 3.3Å; T57-K220 VanDerWaalsContact O-CE 3.23Å; T57-K220 WeakPolarHBondContact O-CE 3.37Å; T57-K220 WeakPolarHBondContact O-CG 3.27Å; T59-K220 HydrophobicContact CG2-CB 4.46Å; R214-K220 PolarHBondContact NH1-O 3.5Å; R214-K220 PolarHBondContact NH2-O 3.28Å; K220-S222 VanDerWaalsContact C-N 3.33Å
221G93.6Very high85.6Confident9 Ų938 Ų389%0.09319%0.193CC..THydrogen-bonded Turntrans88.3-10.7-177.800000114.4I56 P207 E219 V223I56-G221 PolarHBondContact O-N 3.03Å; P207-G221 WeakPolarHBondContact CB-O 3.49Å; P207-G221 WeakPolarHBondContact CG-O 2.99Å; E219-G221 PolarHBondContact O-N 3.18Å; G221-V223 PolarHBondContact O-N 3.22Å
222S94Very high87.3Confident0 Ų032.5 Ų32.50%017%0.172CC..  trans-63.2136.9175.5-51.30000110.3E55 I56 D217 E219 K220 N302E55-S222 WeakPolarHBondContact CA-O 3.46Å; I56-S222 PolarHBondContact N-O 3.02Å; D217-S222 WeakPolarHBondContact OD1-CB 3.46Å; D217-S222 PolarHBondContact OD1-OG 3.22Å; E219-S222 PolarHBondContact N-OG 3.32Å; E219-S222 WeakPolarHBondContact O-CB 3.43Å; E219-S222 PolarHBondContact O-N 3.14Å; E219-S222 VanDerWaalsContact O-N 3.13Å; E219-S222 PolarHBondContact O-OG 3.26Å; K220-S222 VanDerWaalsContact C-N 3.33Å; S222-N302 WeakPolarHBondContact CA-OD1 3.33Å
223V94.7Very high88.5Confident1 Ų128.4 Ų28.41%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-109.3122.7178.4179.90000108.8V54 E55 P207 G221 N302V54-V223 WeakPolarHBondContact O-CA 3.08Å; E55-V223 HydrophobicContact CG-CG2 4.45Å; P207-V223 HydrophobicContact CG-CG2 4.49Å; G221-V223 PolarHBondContact O-N 3.22Å; V223-N302 PolarHBondContact N-OD1 3.08Å; V223-N302 PolarHBondContact O-N 3.34Å; V223-N302 PolarHBondContact O-OD1 3.22Å
224I97.2Very high88.9Confident1 Ų132.3 Ų32.31%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-119.6121.8-178.7-6087.4000107.6A53 V54 I56 L67 V69 V101 I299 V300A53-I224 CarbonylContact C-O 3.57Å; A53-I224 WeakPolarHBondContact CA-O 2.94Å; V54-I224 HydrophobicContact CG2-CB 4.15Å; V54-I224 PolarHBondContact N-O 3.47Å; V54-I224 PolarHBondContact O-N 3.15Å; I56-I224 HydrophobicContact CD1-CD1 3.71Å; I56-I224 HydrophobicContact CG1-CD1 3.78Å; L67-I224 HydrophobicContact CD2-CD1 4.13Å; L67-I224 HydrophobicContact CD2-CG1 4.38Å; V69-I224 HydrophobicContact CG1-CG2 4.17Å; V69-I224 HydrophobicContact CG2-CG2 4.15Å; V101-I224 HydrophobicContact CG1-CG1 3.86Å; V101-I224 HydrophobicContact CG2-CG1 4.29Å; V101-I224 HydrophobicContact CG2-CG2 4.07Å; I224-I299 HydrophobicContact CG2-CD1 4.27Å; I224-I299 HydrophobicContact CG2-CG1 4.27Å; I224-V300 CarbonylContact C-O 3.59Å; I224-V300 WeakPolarHBondContact CA-O 3.28Å
225A96.7Very high88.3Confident2 Ų233.7 Ų33.72%0.01719%0.186CC..EExtended strand (participates in β ladder)trans-119.3152.2171.900000111.6V51 V52 A53 L205 I299 V300V51-A225 HydrophobicContact CG1-CB 3.85Å; V52-A225 CarbonylContact O-C 3.58Å; V52-A225 WeakPolarHBondContact O-CA 3.31Å; A53-A225 HydrophobicContact CB-CB 3.65Å; L205-A225 HydrophobicContact CD2-CB 3.85Å; A225-I299 CarbonylContact O-C 3.51Å; A225-V300 HydrophobicContact CB-CB 4.06Å; A225-V300 PolarHBondContact N-O 2.88Å; A225-V300 PolarHBondContact O-N 2.91Å
226I97.5Very high86.7Confident1 Ų136.5 Ų36.51%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-134.4146.2178.355.8171.3000109.8V52 V69 G70 F71 F297 H298 I299 A376 F378V52-I226 HydrophobicContact CB-CG1 4.28Å; V52-I226 PolarHBondContact N-O 2.85Å; V52-I226 PolarHBondContact O-N 3.36Å; V69-I226 HydrophobicContact CB-CD1 4.5Å; V69-I226 HydrophobicContact CB-CG2 4.04Å; V69-I226 HydrophobicContact CG2-CG2 3.61Å; G70-I226 WeakPolarHBondContact O-CD1 3.4Å; F71-I226 HydrophobicContact CE1-CD1 4.01Å; F71-I226 HydrophobicContact CE1-CG1 4.4Å; F71-I226 HydrophobicContact CE2-CB 4.08Å; F71-I226 HydrophobicContact CE2-CD1 4.09Å; F71-I226 HydrophobicContact CE2-CG1 4.29Å; F71-I226 HydrophobicContact CZ-CB 3.98Å; F71-I226 HydrophobicContact CZ-CD1 3.72Å; F71-I226 HydrophobicContact CZ-CG1 3.78Å; I226-F297 HydrophobicContact CB-CE2 3.84Å; I226-F297 HydrophobicContact CG2-CE2 3.64Å; I226-F297 HydrophobicContact CG2-CZ 3.97Å; I226-H298 WeakPolarHBondContact CA-O 3.39Å; I226-I299 HydrophobicContact CG2-CG1 4.29Å; I226-A376 HydrophobicContact CD1-CB 4.18Å; I226-F378 HydrophobicContact CD1-CE1 4.31Å; I226-F378 HydrophobicContact CD1-CZ 4.17Å
227Y95.7Very high84.6Confident3 Ų344.8 Ų44.81%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-153.7166.416868.8-85.7000109E50 V51 L193 T195 E229 H298 V300 D305E50-Y227 VanDerWaalsContact O-CB 3.28Å; E50-Y227 WeakPolarHBondContact O-CB 3.41Å; V51-Y227 HydrophobicContact CG2-CD1 4.33Å; V51-Y227 HydrophobicContact CG2-CG 4.41Å; L193-Y227 HydrophobicContact CD1-CE1 4.29Å; L193-Y227 HydrophobicContact CD2-CD1 4.35Å; L193-Y227 HydrophobicContact CD2-CE1 4.01Å; T195-Y227 HydrophobicContact CG2-CD2 4.13Å; T195-Y227 HydrophobicContact CG2-CE1 4.48Å; T195-Y227 HydrophobicContact CG2-CE2 4.11Å; T195-Y227 HydrophobicContact CG2-CG 4.31Å; Y227-E229 HydrophobicContact CE2-CG 4.49Å; Y227-H298 HydrophobicContact CD1-CB 3.64Å; Y227-H298 HydrophobicContact CD2-CB 4.01Å; Y227-H298 HydrophobicContact CE1-CB 3.32Å; Y227-H298 AromaticContact CE1-CG 3.8Å; Y227-H298 HydrophobicContact CE2-CB 3.72Å; Y227-H298 AromaticContact CE2-CD2 3.52Å; Y227-H298 AromaticContact CE2-CG 3.46Å; Y227-H298 VanDerWaalsContact CE2-CG 3.46Å; Y227-H298 AromaticContact CE2-ND1 3.88Å; Y227-H298 AromaticContact CE2-NE2 3.98Å; Y227-H298 HydrophobicContact CG-CB 3.99Å; Y227-H298 AromaticContact CZ-CD2 3.84Å; Y227-H298 AromaticContact CZ-CE1 3.96Å; Y227-H298 AromaticContact CZ-CG 3.27Å; Y227-H298 AromaticContact CZ-ND1 3.38Å; Y227-H298 PolarHBondContact N-O 3.36Å; Y227-H298 PolarHBondContact O-N 2.92Å; Y227-H298 PolarHBondContact OH-CE1 2.8Å; Y227-H298 PolarHBondContact OH-ND1 3.06Å; Y227-V300 HydrophobicContact CD1-CG2 4.36Å; Y227-V300 HydrophobicContact CE1-CG2 4.04Å; Y227-D305 PolarHBondContact OH-OD1 3.09Å; Y227-D305 PolarHBondContact OH-OD2 2.71Å
228Y95Very high81.9Confident0 Ų046.9 Ų46.90%026%0.26CS..EExtended strand (participates in β ladder)trans-135156.5175.471.7-84.5000112I46 P48 G49 F71 L230 F295 R296 P372 M374I46-Y228 HydrophobicContact CB-CE1 4.28Å; I46-Y228 HydrophobicContact CG2-CE1 4.12Å; I46-Y228 WeakPolarHBondContact O-CE1 3.12Å; I46-Y228 PolarHBondContact O-OH 3.46Å; P48-Y228 CarbonylContact C-O 3.44Å; P48-Y228 HydrophobicContact CB-CE2 3.98Å; P48-Y228 VanDerWaalsContact CD-OH 3.29Å; P48-Y228 WeakPolarHBondContact CD-OH 3.46Å; P48-Y228 HydrophobicContact CG-CE2 3.73Å; G49-Y228 PolarHBondContact N-O 2.81Å; F71-Y228 HydrophobicContact CD1-CD1 4.1Å; F71-Y228 HydrophobicContact CD1-CE1 4.42Å; F71-Y228 HydrophobicContact CD2-CD1 4.14Å; F71-Y228 AromaticContact CE1-CD1 3.93Å; F71-Y228 HydrophobicContact CE1-CD1 3.93Å; F71-Y228 HydrophobicContact CE1-CE1 4.35Å; F71-Y228 AromaticContact CE2-CD1 3.95Å; F71-Y228 HydrophobicContact CE2-CD1 3.95Å; F71-Y228 HydrophobicContact CE2-CG 4.47Å; F71-Y228 HydrophobicContact CG-CD1 4.22Å; F71-Y228 AromaticContact CZ-CD1 3.85Å; F71-Y228 HydrophobicContact CZ-CD1 3.85Å; Y228-L230 HydrophobicContact CE2-CB 4.3Å; Y228-F295 HydrophobicContact CD2-CD2 4.05Å; Y228-F295 AromaticContact CD2-CE2 3.66Å; Y228-F295 HydrophobicContact CD2-CE2 3.66Å; Y228-F295 AromaticContact CG-CE2 3.76Å; Y228-F295 HydrophobicContact CG-CE2 3.76Å; Y228-R296 CarbonylContact C-O 3.47Å; Y228-R296 WeakPolarHBondContact CA-O 3.22Å; Y228-R296 WeakPolarHBondContact CB-O 3.22Å; Y228-P372 HydrophobicContact CE2-CG 4.36Å; Y228-P372 WeakPolarHBondContact OH-CG 3.26Å; Y228-M374 HydrophobicContact CD1-SD 3.85Å; Y228-M374 HydrophobicContact CD2-SD 4.11Å; Y228-M374 HydrophobicContact CE1-CG 4.39Å; Y228-M374 HydrophobicContact CE1-SD 3.66Å; Y228-M374 HydrophobicContact CE2-CE 4.48Å; Y228-M374 HydrophobicContact CE2-SD 3.91Å; Y228-M374 HydrophobicContact CG-SD 4.08Å
229E90.5Very high79.2Confident4 Ų452.7 Ų52.72%0.01928%0.281CS..EExtended strand (participates in β ladder)trans-111.7140.5168.6-55.5-176.1154.800109.1Y227 F295 R296 R479Y227-E229 HydrophobicContact CE2-CG 4.49Å; E229-F295 WeakPolarHBondContact O-CA 3.31Å; E229-R296 HydrophobicContact CB-CB 4.25Å; E229-R296 PolarHBondContact N-O 2.05Å; E229-R296 PolarHBondContact O-N 3.36Å; E229-R479 IonicContact OE1-NH1 3.69Å; E229-R479 IonicContact OE2-NH1 3.8Å; E229-R479 PolarHBondContact OE2-NH1 2.79Å
230L89.3Confident76.1Confident16 Ų1657.2 Ų57.28%0.08430%0.302CS..EExtended strand (participates in β ladder)trans-121.8123.1170.4-159.870.9000107.3P48 K196 Y228 F293 F295 V313 I315 F320P48-L230 HydrophobicContact CB-CB 4.33Å; P48-L230 HydrophobicContact CG-CB 4.08Å; K196-L230 PolarHBondContact NZ-O 2.9Å; Y228-L230 HydrophobicContact CE2-CB 4.3Å; L230-F293 HydrophobicContact CD1-CB 3.38Å; L230-F293 HydrophobicContact CD1-CD1 4.11Å; L230-F293 HydrophobicContact CD1-CD2 4.35Å; L230-F293 HydrophobicContact CD1-CG 3.72Å; L230-F293 HydrophobicContact CD2-CB 4.48Å; L230-F293 HydrophobicContact CD2-CD1 3.7Å; L230-F293 HydrophobicContact CD2-CD2 4.23Å; L230-F293 HydrophobicContact CD2-CE1 3.87Å; L230-F293 HydrophobicContact CD2-CE2 4.36Å; L230-F293 HydrophobicContact CD2-CG 3.89Å; L230-F293 HydrophobicContact CD2-CZ 4.2Å; L230-F293 HydrophobicContact CG-CB 3.73Å; L230-F293 HydrophobicContact CG-CD1 3.46Å; L230-F293 VanDerWaalsContact CG-CD1 3.46Å; L230-F293 HydrophobicContact CG-CD2 4.38Å; L230-F293 HydrophobicContact CG-CE1 4.12Å; L230-F293 HydrophobicContact CG-CG 3.61Å; L230-F295 HydrophobicContact CD1-CB 4.38Å; L230-F295 HydrophobicContact CD1-CD2 4.27Å; L230-V313 HydrophobicContact CD1-CG2 4.21Å; L230-I315 HydrophobicContact CD1-CD1 3.87Å; L230-I315 HydrophobicContact CD2-CD1 3.97Å; L230-F320 HydrophobicContact CD2-CZ 4.4Å
231E83Confident72.9Confident51 Ų5159.1 Ų59.124%0.23831%0.313CS..EExtended strand (participates in β ladder)trans-124.5119.2179.1177.1170.2-155.600108.8L233 F293 L294 R296E231-L233 PolarHBondContact O-N 3.35Å; E231-F293 CarbonylContact O-C 3.49Å; E231-F293 VanDerWaalsContact O-CA 3.23Å; E231-F293 WeakPolarHBondContact O-CA 3.45Å; E231-L294 HydrophobicContact CB-CB 4.33Å; E231-L294 PolarHBondContact N-O 3.1Å; E231-L294 VanDerWaalsContact N-O 3.09Å; E231-L294 PolarHBondContact O-N 2.95Å; E231-R296 IonicContact OE2-CZ 3.11Å; E231-R296 IonicContact OE2-NH1 3.61Å; E231-R296 PolarHBondContact OE2-NH1 3.49Å; E231-R296 IonicContact OE2-NH2 3.9Å
232P83.2Confident69.8Low54 Ų5462.8 Ų62.835%0.35134%0.338SS..EExtended strand (participates in β ladder)trans-65.7136.8-179.626.9-33000110.2F293 I367P232-F293 HydrophobicContact CB-CD1 4.04Å; P232-F293 HydrophobicContact CB-CE1 3.94Å; P232-I367 HydrophobicContact CG-CD1 3.9Å; P232-I367 HydrophobicContact CG-CG1 4.37Å; P232-I367 HydrophobicContact CG-CG2 4.05Å
233L79.6Confident66.7Low54 Ų5468.7 Ų68.728%0.28337%0.374SS..PPolyproline II helixtrans-97.7144.7171.9-66.6173.6000109.4E231 L292 L294 T312E231-L233 PolarHBondContact O-N 3.35Å; L233-L292 HydrophobicContact CB-CB 4.15Å; L233-L292 PolarHBondContact N-O 3.05Å; L233-L294 HydrophobicContact CD1-CB 4.41Å; L233-L294 HydrophobicContact CD2-CB 4.21Å; L233-L294 HydrophobicContact CG-CB 4.31Å; L233-T312 HydrophobicContact CD1-CG2 3.68Å
234P72.3Confident63.6Low112 Ų11274 Ų7473%0.72741%0.411SS*.PPolyproline II helixtrans-65.9133.9176.226.4-32000110.9D236P234-D236 PolarHBondContact O-N 3.49Å
235T59.9Low60.3Low74 Ų7479.4 Ų79.445%0.45444%0.44SS..  trans-89.483.5169.852.50000108.3
236D46.9Very low57Low117 Ų11783.6 Ų83.663%0.62647%0.467SS*.  trans-99.4118.9169.7-112.6-18.8000108.4P234 S238 Y239P234-D236 PolarHBondContact O-N 3.49Å; D236-S238 PolarHBondContact O-N 2.93Å; D236-Y239 PolarHBondContact O-N 3.48Å
237D40Very low54Low177 Ų17787.3 Ų87.395%0.94749%0.485SS*.THydrogen-bonded Turntrans-6728.7179.6-73-29.3000114.2
238S32.9Very low51Low76 Ų7691.5 Ų91.553%0.53151%0.508SS..THydrogen-bonded Turntrans-130.29.6174.758.80000114.1D236 Q449D236-S238 PolarHBondContact O-N 2.93Å; S238-Q449 PolarHBondContact O-NE2 3.18Å
239Y34.5Very low47.9Very low134 Ų13495.5 Ų95.553%0.52555%0.55SS..  trans-105.246.8-174.9-124.5-78.9000113.5D236 Q449D236-Y239 PolarHBondContact O-N 3.48Å; Y239-Q449 HydrophobicContact CD2-CG 4.01Å; Y239-Q449 HydrophobicContact CE2-CG 3.43Å; Y239-Q449 VanDerWaalsContact CE2-CG 3.43Å
240E27.3Very low45.5Very low180 Ų18097 Ų9784%0.84156%0.559SS**  trans-83129.2156.3-72.5-151.9166.600109.1
241Q27.8Very low43.2Very low175 Ų17599.2 Ų99.282%0.81857%0.57SS**SBendtrans95.5132.8179.1-54.6176.54.400116.3
242S26.9Very low41.1Very low87 Ų8797 Ų9761%0.60856%0.559SS**  trans9584.4167.969.50000118.7
243T29.9Very low39.2Very low124 Ų12494.6 Ų94.676%0.76154%0.544SS*.  48117.2118.351.60000119.4
244S30.6Very low37.4Very low111 Ų11193.7 Ų93.778%0.77654%0.539SS*.  trans30.796.8146.562.50000115.9
245L27.8Very low35.9Very low116 Ų11693 Ų9361%0.60753%0.529SS*.  trans-45.7136.1159.3-78.1156.3000109.6I247L245-I247 PolarHBondContact O-N 3.13Å
246P25.9Very low35Very low90 Ų9091.8 Ų91.858%0.58452%0.52SS*.  trans-65.9105.9170.326.4-29.3000107.5D248P246-D248 VanDerWaalsContact C-N 3.35Å; P246-D248 PolarHBondContact O-N 3.08Å
247I34.3Very low34.8Very low78 Ų7887.1 Ų87.140%0.450%0.495SS..  trans-71.496.8177.9-58.8-179.7000107L245 G249 N252L245-I247 PolarHBondContact O-N 3.13Å; I247-G249 PolarHBondContact O-N 2.65Å; I247-G249 VanDerWaalsContact O-N 3.09Å; I247-N252 WeakPolarHBondContact CD1-ND2 3.32Å
248D33.1Very low34.8Very low91 Ų9183.3 Ų83.349%0.48748%0.482SS..  trans-56.7104.6-176.8-170.626.3000111.8P246 T250 F465P246-D248 VanDerWaalsContact C-N 3.35Å; P246-D248 PolarHBondContact O-N 3.08Å; D248-T250 WeakPolarHBondContact O-CB 3.37Å; D248-T250 PolarHBondContact O-N 3Å; D248-T250 PolarHBondContact O-OG1 2.77Å; D248-F465 WeakPolarHBondContact OD2-CE1 3.41Å; D248-F465 VanDerWaalsContact OD2-CZ 3.3Å; D248-F465 WeakPolarHBondContact OD2-CZ 3.23Å
249G31.2Very low35Very low85 Ų8584.7 Ų84.788%0.87648%0.483SS*.SBendtrans47.613.7162.400000117.8I247I247-G249 PolarHBondContact O-N 2.65Å; I247-G249 VanDerWaalsContact O-N 3.09Å
250T38.7Very low35Very low35 Ų3581 Ų8122%0.21547%0.472CS..  trans-99.2122.7-172.39.20000107D248 N252 I307D248-T250 WeakPolarHBondContact O-CB 3.37Å; D248-T250 PolarHBondContact O-N 3Å; D248-T250 PolarHBondContact O-OG1 2.77Å; T250-N252 VanDerWaalsContact C-N 3.26Å; T250-N252 PolarHBondContact O-N 2.82Å; T250-I307 HydrophobicContact CG2-CD1 3.69Å
251M40.3Very low35Very low63 Ų6377.1 Ų77.131%0.3146%0.462SS..  trans-55.692.2175.7-71162.8169.900108.9H113 M306H113-M251 WeakPolarHBondContact CD2-CE 3.46Å; H113-M251 PolarHBondContact CD2-SD 3.09Å; H113-M251 VanDerWaalsContact NE2-CE 3.28Å; H113-M251 WeakPolarHBondContact NE2-CE 3.49Å; H113-M251 WeakPolarHBondContact NE2-CG 3.3Å; H113-M251 PolarHBondContact NE2-SD 3.2Å; M251-M306 HydrophobicContact CB-CG 4.34Å
252N39.6Very low35Very low4 Ų474.6 Ų74.62%0.02146%0.464CS..  trans-90.5123.1166.2-92.24.4000105.4I247 T250 L254 N255 D256I247-N252 WeakPolarHBondContact CD1-ND2 3.32Å; T250-N252 VanDerWaalsContact C-N 3.26Å; T250-N252 PolarHBondContact O-N 2.82Å; N252-L254 PolarHBondContact O-N 3.37Å; N252-N255 HydrophobicContact CB-CB 4.32Å; N252-N255 PolarHBondContact O-N 2.83Å; N252-D256 PolarHBondContact O-N 3.4Å
253I43.8Very low35.1Very low3 Ų376.3 Ų76.32%0.01547%0.471CS..Hα-helixtrans-45.1-42.5172.2-65.8-172.6000110.5V99 L107 N255 D256 I257 L272 M306 A308V99-I253 HydrophobicContact CG1-CD1 4.47Å; L107-I253 HydrophobicContact CD1-CB 3.9Å; L107-I253 HydrophobicContact CD1-CD1 4.12Å; L107-I253 HydrophobicContact CD1-CG1 3.62Å; L107-I253 HydrophobicContact CD1-CG2 3.61Å; I253-N255 VanDerWaalsContact C-N 3.34Å; I253-N255 PolarHBondContact O-N 3.34Å; I253-D256 PolarHBondContact O-N 3.4Å; I253-I257 HydrophobicContact CG2-CD1 3.47Å; I253-I257 VanDerWaalsContact CG2-CD1 3.47Å; I253-I257 HydrophobicContact CG2-CG1 4.09Å; I253-I257 VanDerWaalsContact O-CD1 3.28Å; I253-I257 WeakPolarHBondContact O-CD1 3.39Å; I253-I257 WeakPolarHBondContact O-CG1 3.27Å; I253-I257 PolarHBondContact O-N 3.1Å; I253-L272 HydrophobicContact CG2-CD2 3.64Å; I253-M306 HydrophobicContact CD1-CE 4.19Å; I253-M306 HydrophobicContact CG1-CE 4.2Å; I253-A308 WeakPolarHBondContact CB-O 3.48Å; I253-A308 HydrophobicContact CD1-CB 3.89Å; I253-A308 WeakPolarHBondContact CD1-O 3.45Å; I253-A308 WeakPolarHBondContact CG1-O 3.45Å
254L42Very low35.2Very low36 Ų3677.8 Ų77.819%0.18847%0.473CS..Hα-helixtrans-65.8-29.3-176.5-63.6157.4000114.3N252 L273 T276N252-L254 PolarHBondContact O-N 3.37Å; L254-L273 HydrophobicContact CB-CD2 4.35Å; L254-L273 HydrophobicContact CD2-CD2 3.85Å; L254-L273 WeakPolarHBondContact O-CD2 3.44Å; L254-T276 HydrophobicContact CD1-CG2 3.55Å; L254-T276 HydrophobicContact CD2-CG2 4.45Å
255N41.4Very low35.7Very low96 Ų9678.1 Ų78.151%0.51347%0.472SS..Hα-helixtrans-87.6-29.8-179.4-72.1-5.6000112.3N252 I253N252-N255 HydrophobicContact CB-CB 4.32Å; N252-N255 PolarHBondContact O-N 2.83Å; I253-N255 VanDerWaalsContact C-N 3.34Å; I253-N255 PolarHBondContact O-N 3.34Å
256D41Very low35.9Very low50 Ų5076.6 Ų76.627%0.26747%0.465SS..Hα-helixtrans-96.4-10.7-172.5-72-33.8000114.4L107 N252 I253 S258 N259L107-D256 HydrophobicContact CD2-CB 4.37Å; N252-D256 PolarHBondContact O-N 3.4Å; I253-D256 PolarHBondContact O-N 3.4Å; D256-S258 PolarHBondContact O-N 2.94Å; D256-N259 PolarHBondContact O-N 2.8Å
257I41.3Very low36.2Very low18 Ų1879.4 Ų79.49%0.09247%0.47CS..G310 helixtrans-58.8-29.6177.9-78.9161.3000112.4I253 N259 I260 V269 L273I253-I257 HydrophobicContact CG2-CD1 3.47Å; I253-I257 VanDerWaalsContact CG2-CD1 3.47Å; I253-I257 HydrophobicContact CG2-CG1 4.09Å; I253-I257 VanDerWaalsContact O-CD1 3.28Å; I253-I257 WeakPolarHBondContact O-CD1 3.39Å; I253-I257 WeakPolarHBondContact O-CG1 3.27Å; I253-I257 PolarHBondContact O-N 3.1Å; I257-N259 PolarHBondContact O-N 2.82Å; I257-N259 VanDerWaalsContact O-N 3.08Å; I257-I260 HydrophobicContact CG1-CD1 4.42Å; I257-I260 PolarHBondContact O-N 3.43Å; I257-V269 HydrophobicContact CB-CG1 4.41Å; I257-V269 HydrophobicContact CD1-CG1 3.87Å; I257-V269 HydrophobicContact CG1-CG1 3.87Å; I257-V269 HydrophobicContact CG2-CG1 3.56Å; I257-L273 HydrophobicContact CB-CD1 4.36Å; I257-L273 HydrophobicContact CB-CD2 4.35Å; I257-L273 HydrophobicContact CD1-CD2 3.93Å; I257-L273 HydrophobicContact CD1-CG 4Å; I257-L273 HydrophobicContact CG2-CD1 3.7Å; I257-L273 HydrophobicContact CG2-CG 4.27Å
258S40.7Very low36.4Very low98 Ų9877.7 Ų77.769%0.68546%0.462SS*.G310 helixtrans-63.3-17.5-179.268.40000113.9D256D256-S258 PolarHBondContact O-N 2.94Å
259N36.7Very low36.6Very low104 Ų10475.1 Ų75.156%0.55645%0.449SS*.G310 helixtrans-110.67.9-174-70.4-23.7000114.4D256 I257 P261D256-N259 PolarHBondContact O-N 2.8Å; I257-N259 PolarHBondContact O-N 2.82Å; I257-N259 VanDerWaalsContact O-N 3.08Å; N259-P261 WeakPolarHBondContact O-CD 3.5Å
260I35.2Very low36.7Very low57 Ų5776.9 Ų76.929%0.29243%0.434SS..SBendtrans-78.9121.1174.2-52176.7000109L107 I257 S262L107-I260 HydrophobicContact CD2-CD1 3.43Å; L107-I260 VanDerWaalsContact CD2-CD1 3.43Å; L107-I260 HydrophobicContact CD2-CG1 3.96Å; L107-I260 HydrophobicContact CG-CD1 3.9Å; I257-I260 HydrophobicContact CG1-CD1 4.42Å; I257-I260 PolarHBondContact O-N 3.43Å; I260-S262 PolarHBondContact O-N 2.94Å
261P26.6Very low36.4Very low98 Ų9876.7 Ų76.764%0.63643%0.432SS*.  trans-62.1130.8173.1-17.530.4000110.1N259 V263N259-P261 WeakPolarHBondContact O-CD 3.5Å; P261-V263 VanDerWaalsContact C-N 3.25Å; P261-V263 PolarHBondContact O-N 2.88Å
262S27.2Very low36.3Very low122 Ų12274.2 Ų74.285%0.85342%0.42SS*.  trans-64.674.8-179.857.40000112.3I260 I264I260-S262 PolarHBondContact O-N 2.94Å; S262-I264 VanDerWaalsContact C-N 3.32Å; S262-I264 PolarHBondContact O-N 3.32Å
263V30.5Very low36Very low124 Ų12476.4 Ų76.475%0.75243%0.431SS*.SBendtrans-89.381163-175.30000107P261P261-V263 VanDerWaalsContact C-N 3.25Å; P261-V263 PolarHBondContact O-N 2.88Å
264I31.3Very low35.3Very low155 Ų15583.4 Ų83.480%0.79546%0.458SS*.SBendtrans67.1131.3168.9-55176.7000114.7S262S262-I264 VanDerWaalsContact C-N 3.32Å; S262-I264 PolarHBondContact O-N 3.32Å
265P40.1Very low35.1Very low118 Ų11885.8 Ų85.877%0.76647%0.465SS*.  trans-96.4154.2-149.137.6-30.9000111
266D32.2Very low34.9Very low84 Ų8482.4 Ų82.445%0.44945%0.448SS..  trans-130.3128.2149.7-147.9-15.7000107.9N268 V269D266-N268 HydrophobicContact CB-CB 3.99Å; D266-N268 PolarHBondContact O-N 3.3Å; D266-N268 PolarHBondContact OD1-ND2 3.04Å; D266-N268 VanDerWaalsContact OD1-ND2 3.09Å; D266-N268 PolarHBondContact OD2-ND2 2.93Å; D266-V269 PolarHBondContact O-N 3.26Å
267E32.9Very low34.4Very low149 Ų14986.6 Ų86.670%0.69647%0.469SS*.Hα-helixtrans-48.8-25169.1-70.9-161.7147.800110.5V269 Q270 N271E267-V269 VanDerWaalsContact C-N 3.34Å; E267-V269 PolarHBondContact O-N 2.75Å; E267-Q270 PolarHBondContact O-N 3.35Å; E267-N271 VanDerWaalsContact O-CB 3.22Å; E267-N271 WeakPolarHBondContact O-CB 3.38Å; E267-N271 PolarHBondContact O-N 3.04Å; E267-N271 PolarHBondContact O-ND2 2.97Å; E267-N271 VanDerWaalsContact O-ND2 3.08Å
268N38.3Very low33.7Very low42 Ų4291 Ų9123%0.22549%0.493CS..Hα-helixtrans-55.7-33.2175.7-65.2-29.2000115.4D266 L272D266-N268 HydrophobicContact CB-CB 3.99Å; D266-N268 PolarHBondContact O-N 3.3Å; D266-N268 PolarHBondContact OD1-ND2 3.04Å; D266-N268 VanDerWaalsContact OD1-ND2 3.09Å; D266-N268 PolarHBondContact OD2-ND2 2.93Å; N268-L272 PolarHBondContact O-N 3.29Å
269V38.4Very low33.5Very low36 Ų3691.5 Ų91.522%0.21850%0.496CS..Hα-helixtrans-74.9-42.5179.1-177.90000111.1T103 I257 D266 E267 N271 L272 L273T103-V269 HydrophobicContact CG2-CG2 4.1Å; I257-V269 HydrophobicContact CB-CG1 4.41Å; I257-V269 HydrophobicContact CD1-CG1 3.87Å; I257-V269 HydrophobicContact CG1-CG1 3.87Å; I257-V269 HydrophobicContact CG2-CG1 3.56Å; D266-V269 PolarHBondContact O-N 3.26Å; E267-V269 VanDerWaalsContact C-N 3.34Å; E267-V269 PolarHBondContact O-N 2.75Å; V269-N271 VanDerWaalsContact C-N 3.31Å; V269-L272 PolarHBondContact O-N 3.11Å; V269-L273 PolarHBondContact O-N 3.34Å
270Q32.6Very low33.2Very low123 Ų12391.4 Ų91.458%0.57550%0.5SS*.Hα-helixtrans-69.2-32172.9-72.3-177.8200111.8E267 L273 R274E267-Q270 PolarHBondContact O-N 3.35Å; Q270-L273 WeakPolarHBondContact O-CB 3.21Å; Q270-L273 PolarHBondContact O-N 3.38Å; Q270-R274 WeakPolarHBondContact O-CG 3.21Å; Q270-R274 PolarHBondContact O-N 3.17Å; Q270-R274 VanDerWaalsContact O-N 3.08Å
271N33.3Very low32.9Very low30 Ų3098 Ų9816%0.1653%0.529CS..Hα-helixtrans-70.4-35.5176-71.5-22.5000111.6E267 V269 L273 R274 Y275E267-N271 VanDerWaalsContact O-CB 3.22Å; E267-N271 WeakPolarHBondContact O-CB 3.38Å; E267-N271 PolarHBondContact O-N 3.04Å; E267-N271 PolarHBondContact O-ND2 2.97Å; E267-N271 VanDerWaalsContact O-ND2 3.08Å; V269-N271 VanDerWaalsContact C-N 3.31Å; N271-L273 VanDerWaalsContact C-N 3.3Å; N271-L273 PolarHBondContact O-N 3.49Å; N271-R274 PolarHBondContact O-N 3.27Å; N271-R274 VanDerWaalsContact O-N 3.13Å; N271-Y275 HydrophobicContact CB-CD2 4.17Å; N271-Y275 HydrophobicContact CB-CE2 3.78Å; N271-Y275 WeakPolarHBondContact O-CD2 3.4Å; N271-Y275 PolarHBondContact O-N 2.94Å
272L36.9Very low33.5Very low12 Ų1297.5 Ų97.56%0.06353%0.528CS..Hα-helixtrans-58-43170.9-161.677.7000111.3V99 I253 N268 V269 R274 Y275 T276V99-L272 HydrophobicContact CG1-CD1 4.34Å; V99-L272 HydrophobicContact CG1-CD2 4.48Å; I253-L272 HydrophobicContact CG2-CD2 3.64Å; N268-L272 PolarHBondContact O-N 3.29Å; V269-L272 PolarHBondContact O-N 3.11Å; L272-R274 PolarHBondContact O-N 3.11Å; L272-Y275 PolarHBondContact O-N 2.93Å; L272-T276 PolarHBondContact O-N 3.37Å; L272-T276 PolarHBondContact O-OG1 3.08Å; L272-T276 VanDerWaalsContact O-OG1 3.1Å
273L33.3Very low33.9Very low49 Ų49100.5 Ų100.526%0.25753%0.529SS..Hα-helixtrans-61.1-40.9173.8-68.2169.9000112.7L254 I257 V269 Q270 N271L254-L273 HydrophobicContact CB-CD2 4.35Å; L254-L273 HydrophobicContact CD2-CD2 3.85Å; L254-L273 WeakPolarHBondContact O-CD2 3.44Å; I257-L273 HydrophobicContact CB-CD1 4.36Å; I257-L273 HydrophobicContact CB-CD2 4.35Å; I257-L273 HydrophobicContact CD1-CD2 3.93Å; I257-L273 HydrophobicContact CD1-CG 4Å; I257-L273 HydrophobicContact CG2-CD1 3.7Å; I257-L273 HydrophobicContact CG2-CG 4.27Å; V269-L273 PolarHBondContact O-N 3.34Å; Q270-L273 WeakPolarHBondContact O-CB 3.21Å; Q270-L273 PolarHBondContact O-N 3.38Å; N271-L273 VanDerWaalsContact C-N 3.3Å; N271-L273 PolarHBondContact O-N 3.49Å
274R30.5Very low34.1Very low151 Ų151104.2 Ų104.257%0.5754%0.538SS*.Hα-helixtrans-72.1-34.7-178.9-73.3-178.9-178.2151.3-0.4113.2Q270 N271 L272Q270-R274 WeakPolarHBondContact O-CG 3.21Å; Q270-R274 PolarHBondContact O-N 3.17Å; Q270-R274 VanDerWaalsContact O-N 3.08Å; N271-R274 PolarHBondContact O-N 3.27Å; N271-R274 VanDerWaalsContact O-N 3.13Å; L272-R274 PolarHBondContact O-N 3.11Å
275Y37.3Very low34.6Very low86 Ų86103.4 Ų103.434%0.33754%0.535SS..Hα-helixtrans-79-30.9-176-70.4-56.3000113.5P88 V91 N271 L272P88-Y275 HydrophobicContact CB-CE1 4.25Å; P88-Y275 HydrophobicContact CB-CE2 3.7Å; P88-Y275 VanDerWaalsContact CB-CZ 3.48Å; P88-Y275 WeakPolarHBondContact CB-OH 3Å; V91-Y275 HydrophobicContact CG1-CG 4.2Å; N271-Y275 HydrophobicContact CB-CD2 4.17Å; N271-Y275 HydrophobicContact CB-CE2 3.78Å; N271-Y275 WeakPolarHBondContact O-CD2 3.4Å; N271-Y275 PolarHBondContact O-N 2.94Å; L272-Y275 PolarHBondContact O-N 2.93Å
276T36.7Very low34.9Very low25 Ų25102.1 Ų102.115%0.15353%0.529CS..Hα-helixtrans-77.2-21.5178.2-43.50000113.2L254 L272 I309 E311L254-T276 HydrophobicContact CD1-CG2 3.55Å; L254-T276 HydrophobicContact CD2-CG2 4.45Å; L272-T276 PolarHBondContact O-N 3.37Å; L272-T276 PolarHBondContact O-OG1 3.08Å; L272-T276 VanDerWaalsContact O-OG1 3.1Å; T276-I309 HydrophobicContact CG2-CG2 3.92Å; T276-E311 WeakPolarHBondContact CG2-OE2 3.23Å
277L30.1Very low35.7Very low138 Ų138106.5 Ų106.572%0.72355%0.552SS**Hα-helixtrans-92.9-16.5-179.8-74168.2000114.1S279L277-S279 PolarHBondContact O-N 3.3Å
278N27.7Very low36.8Very low111 Ų111103.3 Ų103.359%0.59454%0.543SS*.  trans-9873.9178.2-68-6.6000109.5T280N278-T280 PolarHBondContact O-N 2.86Å
279S35.3Very low38.6Very low107 Ų107109.8 Ų109.875%0.74857%0.572SS**  trans-63.888.1156.157.80000107.1L277 E281L277-S279 PolarHBondContact O-N 3.3Å; S279-E281 PolarHBondContact O-N 2.92Å; S279-E281 VanDerWaalsContact O-N 3.15Å
280T30.9Very low40.8Very low103 Ų103112.9 Ų112.963%0.63258%0.582SS**  trans-60.6118.8172.3-24.40000106.9N278 S282N278-T280 PolarHBondContact O-N 2.86Å; T280-S282 PolarHBondContact O-N 3.41Å
281E29.9Very low43.4Very low196 Ų196109.9 Ų109.992%0.91657%0.57SS**  trans-5495.3164.6-68.6174.2172.900106.7S279S279-E281 PolarHBondContact O-N 2.92Å; S279-E281 VanDerWaalsContact O-N 3.15Å
282S37.9Very low46Very low86 Ų86111.9 Ų111.960%0.60158%0.58SS**  trans-79.6136.8175.536.50000107.8T280T280-S282 PolarHBondContact O-N 3.41Å
283E36.8Very low48.5Very low186 Ų186111.8 Ų111.887%0.86958%0.579SS**  trans-38.8143.1-170.1-62.1-165.715700114.6D285E283-D285 VanDerWaalsContact C-N 3.3Å; E283-D285 PolarHBondContact O-N 2.85Å
284E34.1Very low51.1Low202 Ų202110.6 Ų110.694%0.94457%0.573SS**  trans-5282.8179.6-62.1176.3166.300112S286E284-S286 PolarHBondContact O-N 3.2Å
285D41.2Very low54.1Low137 Ų137103.4 Ų103.473%0.73355%0.546SS*.  trans-80.1116.5163-138.6-5.4000107.6E283E283-D285 VanDerWaalsContact C-N 3.3Å; E283-D285 PolarHBondContact O-N 2.85Å
286S46.9Very low56.6Low91 Ų91101 Ų10164%0.63654%0.536SS*.THydrogen-bonded Turntrans-43.8131.1-169.552.20000115.4E284 T288E284-S286 PolarHBondContact O-N 3.2Å; S286-T288 VanDerWaalsContact C-N 3.28Å; S286-T288 PolarHBondContact O-N 2.95Å; S286-T288 PolarHBondContact O-OG1 2.99Å
287D48Very low59.3Low176 Ų17699.9 Ų99.994%0.94153%0.529SS*.THydrogen-bonded Turntrans36.240.8154.5-77.5-12.3000118.2
288T56.7Low62.3Low83 Ų8393.3 Ų93.351%0.50950%0.495SS..  trans-110.4107.9163.3-1.20000108.7S286 K290S286-T288 VanDerWaalsContact C-N 3.28Å; S286-T288 PolarHBondContact O-N 2.95Å; S286-T288 PolarHBondContact O-OG1 2.99Å; T288-K290 PolarHBondContact O-N 3.44Å
289E76.7Confident65.5Low178 Ų17888 Ų8883%0.83247%0.466SS*.  trans-52.1104.8174.9-74.7-178.4174.700109.6
290K83.5Confident68.2Low101 Ų10183 Ų8344%0.43943%0.431SS..PPolyproline II helixtrans-72.3137.5174.1-66.6178.2-177.2169.70108.3T288 A314T288-K290 PolarHBondContact O-N 3.44Å; K290-A314 HydrophobicContact CB-CB 4.05Å; K290-A314 HydrophobicContact CD-CB 4.12Å
291L87.1Confident71.1Confident59 Ų5978 Ų7831%0.30940%0.401SS..EExtended strand (participates in β ladder)trans-87.5131177.5-64.8175.1000109.7F293 A314 I315 P368L291-F293 HydrophobicContact CB-CD2 4.27Å; L291-F293 HydrophobicContact CB-CE2 3.42Å; L291-F293 VanDerWaalsContact CB-CE2 3.42Å; L291-F293 HydrophobicContact CB-CZ 3.85Å; L291-F293 HydrophobicContact CD1-CE2 4.43Å; L291-F293 HydrophobicContact CD1-CZ 4.19Å; L291-F293 VanDerWaalsContact O-CD2 3.31Å; L291-F293 WeakPolarHBondContact O-CD2 3.2Å; L291-A314 WeakPolarHBondContact O-CA 3.48Å; L291-I315 PolarHBondContact N-O 2.82Å; L291-I315 PolarHBondContact O-N 3.44Å; L291-P368 HydrophobicContact CD1-CG 4.29Å
292L88.9Confident74Confident72 Ų7269 Ų6938%0.37736%0.359SS..EExtended strand (participates in β ladder)trans-87.6132.8178-68.3172.6000111.1L233 T312 A314L233-L292 HydrophobicContact CB-CB 4.15Å; L233-L292 PolarHBondContact N-O 3.05Å; L292-T312 HydrophobicContact CD2-CG2 4.22Å; L292-A314 HydrophobicContact CD2-CB 4Å
293F89.2Confident76.1Confident10 Ų1065.2 Ų65.24%0.04433%0.334CS..EExtended strand (participates in β ladder)trans-133.8146.1177.5-61.4-88.6000111.4L230 E231 P232 L291 F295 T312 V313 I315 F320L230-F293 HydrophobicContact CD1-CB 3.38Å; L230-F293 HydrophobicContact CD1-CD1 4.11Å; L230-F293 HydrophobicContact CD1-CD2 4.35Å; L230-F293 HydrophobicContact CD1-CG 3.72Å; L230-F293 HydrophobicContact CD2-CB 4.48Å; L230-F293 HydrophobicContact CD2-CD1 3.7Å; L230-F293 HydrophobicContact CD2-CD2 4.23Å; L230-F293 HydrophobicContact CD2-CE1 3.87Å; L230-F293 HydrophobicContact CD2-CE2 4.36Å; L230-F293 HydrophobicContact CD2-CG 3.89Å; L230-F293 HydrophobicContact CD2-CZ 4.2Å; L230-F293 HydrophobicContact CG-CB 3.73Å; L230-F293 HydrophobicContact CG-CD1 3.46Å; L230-F293 VanDerWaalsContact CG-CD1 3.46Å; L230-F293 HydrophobicContact CG-CD2 4.38Å; L230-F293 HydrophobicContact CG-CE1 4.12Å; L230-F293 HydrophobicContact CG-CG 3.61Å; E231-F293 CarbonylContact O-C 3.49Å; E231-F293 VanDerWaalsContact O-CA 3.23Å; E231-F293 WeakPolarHBondContact O-CA 3.45Å; P232-F293 HydrophobicContact CB-CD1 4.04Å; P232-F293 HydrophobicContact CB-CE1 3.94Å; L291-F293 HydrophobicContact CB-CD2 4.27Å; L291-F293 HydrophobicContact CB-CE2 3.42Å; L291-F293 VanDerWaalsContact CB-CE2 3.42Å; L291-F293 HydrophobicContact CB-CZ 3.85Å; L291-F293 HydrophobicContact CD1-CE2 4.43Å; L291-F293 HydrophobicContact CD1-CZ 4.19Å; L291-F293 VanDerWaalsContact O-CD2 3.31Å; L291-F293 WeakPolarHBondContact O-CD2 3.2Å; F293-F295 PolarHBondContact O-N 2.8Å; F293-T312 CarbonylContact O-C 3.6Å; F293-T312 WeakPolarHBondContact O-CA 3.49Å; F293-V313 HydrophobicContact CB-CG2 4.01Å; F293-V313 PolarHBondContact N-O 2.77Å; F293-V313 PolarHBondContact O-N 2.8Å; F293-I315 HydrophobicContact CD2-CB 4.05Å; F293-I315 HydrophobicContact CD2-CD1 3.87Å; F293-I315 HydrophobicContact CD2-CG1 4.03Å; F293-I315 HydrophobicContact CE2-CB 3.95Å; F293-I315 HydrophobicContact CE2-CD1 4.27Å; F293-I315 HydrophobicContact CE2-CG1 4.4Å; F293-F320 HydrophobicContact CE2-CE2 4.25Å; F293-F320 AromaticContact CE2-CZ 3.85Å; F293-F320 HydrophobicContact CE2-CZ 3.85Å; F293-F320 HydrophobicContact CZ-CE2 4.35Å; F293-F320 AromaticContact CZ-CZ 3.7Å; F293-F320 HydrophobicContact CZ-CZ 3.7Å
294L88.1Confident78.3Confident24 Ų2457 Ų5713%0.12630%0.296CS..EExtended strand (participates in β ladder)trans-84.4106.3161.2-177.953.7000108.6E231 L233 R296E231-L294 HydrophobicContact CB-CB 4.33Å; E231-L294 PolarHBondContact N-O 3.1Å; E231-L294 VanDerWaalsContact N-O 3.09Å; E231-L294 PolarHBondContact O-N 2.95Å; L233-L294 HydrophobicContact CD1-CB 4.41Å; L233-L294 HydrophobicContact CD2-CB 4.21Å; L233-L294 HydrophobicContact CG-CB 4.31Å; L294-R296 VanDerWaalsContact CD2-CZ 3.44Å
295F92.3Very high80.6Confident0 Ų049.2 Ų49.20%026%0.261CS..EExtended strand (participates in β ladder)trans-89.3132.5177176.2-103.8000110W97 Y228 E229 L230 F293 F297 A310 E311 V313 M374W97-F295 HydrophobicContact CB-CE1 3.89Å; W97-F295 HydrophobicContact CB-CZ 4.2Å; W97-F295 AromaticContact CD1-CE1 3.62Å; W97-F295 HydrophobicContact CD2-CD1 4.16Å; W97-F295 AromaticContact CD2-CE1 3.53Å; W97-F295 HydrophobicContact CD2-CE1 3.53Å; W97-F295 AromaticContact CD2-CZ 3.77Å; W97-F295 HydrophobicContact CD2-CZ 3.77Å; W97-F295 AromaticContact CE2-CE1 3.89Å; W97-F295 HydrophobicContact CE3-CE1 4.16Å; W97-F295 HydrophobicContact CE3-CE2 4.43Å; W97-F295 AromaticContact CE3-CZ 3.91Å; W97-F295 HydrophobicContact CE3-CZ 3.91Å; W97-F295 HydrophobicContact CG-CD1 4.18Å; W97-F295 AromaticContact CG-CE1 3.37Å; W97-F295 HydrophobicContact CG-CE1 3.37Å; W97-F295 AromaticContact CG-CZ 3.9Å; W97-F295 HydrophobicContact CG-CZ 3.9Å; W97-F295 AromaticContact NE1-CD1 3.93Å; W97-F295 AromaticContact NE1-CE1 3.89Å; Y228-F295 HydrophobicContact CD2-CD2 4.05Å; Y228-F295 AromaticContact CD2-CE2 3.66Å; Y228-F295 HydrophobicContact CD2-CE2 3.66Å; Y228-F295 AromaticContact CG-CE2 3.76Å; Y228-F295 HydrophobicContact CG-CE2 3.76Å; E229-F295 WeakPolarHBondContact O-CA 3.31Å; L230-F295 HydrophobicContact CD1-CB 4.38Å; L230-F295 HydrophobicContact CD1-CD2 4.27Å; F293-F295 PolarHBondContact O-N 2.8Å; F295-F297 HydrophobicContact CE1-CB 3.65Å; F295-F297 HydrophobicContact CZ-CB 3.89Å; F295-A310 VanDerWaalsContact O-CA 3.31Å; F295-A310 WeakPolarHBondContact O-CA 3.36Å; F295-E311 HydrophobicContact CD1-CG 4.5Å; F295-E311 PolarHBondContact N-O 3.13Å; F295-E311 PolarHBondContact O-N 3.35Å; F295-V313 HydrophobicContact CB-CB 4.41Å; F295-V313 HydrophobicContact CB-CG1 3.74Å; F295-V313 HydrophobicContact CB-CG2 3.72Å; F295-V313 HydrophobicContact CG-CG1 4.36Å; F295-M374 HydrophobicContact CE2-CE 3.99Å; F295-M374 HydrophobicContact CE2-SD 3.97Å
296R89.9Confident82.6Confident37 Ų3743.2 Ų43.214%0.1423%0.228CC..EExtended strand (participates in β ladder)trans-129.3116.2173-59.6-177.617995.5-8.5109.5Y228 E229 E231 L294 I309 A310Y228-R296 CarbonylContact C-O 3.47Å; Y228-R296 WeakPolarHBondContact CA-O 3.22Å; Y228-R296 WeakPolarHBondContact CB-O 3.22Å; E229-R296 HydrophobicContact CB-CB 4.25Å; E229-R296 PolarHBondContact N-O 2.05Å; E229-R296 PolarHBondContact O-N 3.36Å; E231-R296 IonicContact OE2-CZ 3.11Å; E231-R296 IonicContact OE2-NH1 3.61Å; E231-R296 PolarHBondContact OE2-NH1 3.49Å; E231-R296 IonicContact OE2-NH2 3.9Å; L294-R296 VanDerWaalsContact CD2-CZ 3.44Å; R296-I309 CarbonylContact C-O 3.54Å; R296-I309 WeakPolarHBondContact CA-O 3.4Å; R296-A310 HydrophobicContact CG-CB 4.14Å
297F94.9Very high84.3Confident0 Ų039.2 Ų39.20%020%0.2CC..EExtended strand (participates in β ladder)trans-94.3123.8174.3173.7-155.4000109.5F71 W97 V99 I226 F295 I307 A308 I309F71-F297 AromaticContact CD2-CD2 3.87Å; F71-F297 HydrophobicContact CD2-CD2 3.87Å; F71-F297 HydrophobicContact CD2-CE2 4.06Å; F71-F297 HydrophobicContact CD2-CG 4.49Å; F71-F297 AromaticContact CE2-CD2 3.66Å; F71-F297 HydrophobicContact CE2-CD2 3.66Å; F71-F297 AromaticContact CE2-CE2 3.76Å; F71-F297 HydrophobicContact CE2-CE2 3.76Å; W97-F297 HydrophobicContact CB-CD1 4.26Å; V99-F297 HydrophobicContact CB-CE1 4.26Å; V99-F297 HydrophobicContact CG1-CD1 4.37Å; V99-F297 HydrophobicContact CG1-CE1 3.86Å; V99-F297 HydrophobicContact CG2-CE1 3.59Å; V99-F297 HydrophobicContact CG2-CZ 3.79Å; I226-F297 HydrophobicContact CB-CE2 3.84Å; I226-F297 HydrophobicContact CG2-CE2 3.64Å; I226-F297 HydrophobicContact CG2-CZ 3.97Å; F295-F297 HydrophobicContact CE1-CB 3.65Å; F295-F297 HydrophobicContact CZ-CB 3.89Å; F297-I307 CarbonylContact O-C 3.55Å; F297-A308 HydrophobicContact CD1-CB 3.78Å; F297-A308 HydrophobicContact CE1-CB 4.03Å; F297-A308 HydrophobicContact CG-CB 4.11Å; F297-A308 PolarHBondContact O-N 3.2Å; F297-I309 HydrophobicContact CB-CB 4.11Å; F297-I309 HydrophobicContact CD1-CB 4.42Å; F297-I309 HydrophobicContact CD1-CD1 4.11Å; F297-I309 HydrophobicContact CD1-CG1 4.18Å; F297-I309 PolarHBondContact N-O 3.3Å; F297-I309 PolarHBondContact O-N 3.16Å
298H93.1Very high86.2Confident0 Ų030.9 Ų30.90%016%0.155CC..EExtended strand (participates in β ladder)trans-107.3139.6175.5-71.8-108.8000111.4I226 Y227 D305 M306 I307I226-H298 WeakPolarHBondContact CA-O 3.39Å; Y227-H298 HydrophobicContact CD1-CB 3.64Å; Y227-H298 HydrophobicContact CD2-CB 4.01Å; Y227-H298 HydrophobicContact CE1-CB 3.32Å; Y227-H298 AromaticContact CE1-CG 3.8Å; Y227-H298 HydrophobicContact CE2-CB 3.72Å; Y227-H298 AromaticContact CE2-CD2 3.52Å; Y227-H298 AromaticContact CE2-CG 3.46Å; Y227-H298 VanDerWaalsContact CE2-CG 3.46Å; Y227-H298 AromaticContact CE2-ND1 3.88Å; Y227-H298 AromaticContact CE2-NE2 3.98Å; Y227-H298 HydrophobicContact CG-CB 3.99Å; Y227-H298 AromaticContact CZ-CD2 3.84Å; Y227-H298 AromaticContact CZ-CE1 3.96Å; Y227-H298 AromaticContact CZ-CG 3.27Å; Y227-H298 AromaticContact CZ-ND1 3.38Å; Y227-H298 PolarHBondContact N-O 3.36Å; Y227-H298 PolarHBondContact O-N 2.92Å; Y227-H298 PolarHBondContact OH-CE1 2.8Å; Y227-H298 PolarHBondContact OH-ND1 3.06Å; H298-D305 IonicContact CG-OD1 2.88Å; H298-D305 IonicContact ND1-OD1 3.78Å; H298-D305 PolarHBondContact ND1-OD1 2.87Å; H298-D305 IonicContact ND1-OD2 3.71Å; H298-M306 WeakPolarHBondContact CA-O 3.34Å; H298-I307 VanDerWaalsContact CE1-CG1 3.42Å; H298-I307 WeakPolarHBondContact CE1-CG1 3.09Å
299I94.8Very high87.7Confident0 Ų027.1 Ų27.10%013%0.132CC..EExtended strand (participates in β ladder)trans-119.9135.9169-170170.5000109.3V69 V99 V101 A104 I224 A225 I226 I301 M306 A308V69-I299 HydrophobicContact CG2-CD1 3.71Å; V69-I299 HydrophobicContact CG2-CG1 4.39Å; V99-I299 HydrophobicContact CG2-CD1 3.94Å; V101-I299 HydrophobicContact CG2-CD1 4.22Å; A104-I299 HydrophobicContact CB-CD1 4.09Å; A104-I299 HydrophobicContact CB-CG2 4.16Å; I224-I299 HydrophobicContact CG2-CD1 4.27Å; I224-I299 HydrophobicContact CG2-CG1 4.27Å; A225-I299 CarbonylContact O-C 3.51Å; I226-I299 HydrophobicContact CG2-CG1 4.29Å; I299-I301 HydrophobicContact CD1-CD1 4.02Å; I299-I301 HydrophobicContact CD1-CG1 4.13Å; I299-I301 HydrophobicContact CG1-CD1 4.34Å; I299-I301 HydrophobicContact CG1-CG1 3.98Å; I299-M306 HydrophobicContact CG2-CE 4.18Å; I299-M306 PolarHBondContact N-O 2.87Å; I299-M306 PolarHBondContact O-N 2.96Å; I299-A308 HydrophobicContact CB-CB 4.4Å; I299-A308 HydrophobicContact CG2-CB 4Å
300V91.8Very high88.2Confident1 Ų119.5 Ų19.51%0.00610%0.099CC..EExtended strand (participates in β ladder)trans-119.6119.4177.9-172.20000108.3L193 L205 I224 A225 Y227 I304 D305L193-V300 HydrophobicContact CD2-CG2 3.96Å; L205-V300 HydrophobicContact CD1-CG1 4.39Å; I224-V300 CarbonylContact C-O 3.59Å; I224-V300 WeakPolarHBondContact CA-O 3.28Å; A225-V300 HydrophobicContact CB-CB 4.06Å; A225-V300 PolarHBondContact N-O 2.88Å; A225-V300 PolarHBondContact O-N 2.91Å; Y227-V300 HydrophobicContact CD1-CG2 4.36Å; Y227-V300 HydrophobicContact CE1-CG2 4.04Å; V300-I304 CarbonylContact C-O 3.55Å; V300-I304 WeakPolarHBondContact CA-O 3.18Å; V300-D305 HydrophobicContact CG2-CB 4.08Å
301I92.2Very high88.4Confident0 Ų016.9 Ų16.90%09%0.088CC..EExtended strand (participates in β ladder)trans-121.1118.4-179.1-51.9178000108.3V101 A104 V105 L108 P216 I299 G303 I304V101-I301 HydrophobicContact CG1-CD1 3.81Å; V101-I301 HydrophobicContact CG1-CG1 4.43Å; A104-I301 HydrophobicContact CB-CD1 3.81Å; V105-I301 HydrophobicContact CG2-CD1 3.78Å; V105-I301 HydrophobicContact CG2-CG2 4.2Å; L108-I301 HydrophobicContact CD1-CB 4.35Å; L108-I301 HydrophobicContact CD1-CD1 4.18Å; P216-I301 HydrophobicContact CB-CB 4.32Å; P216-I301 HydrophobicContact CB-CG2 3.94Å; I299-I301 HydrophobicContact CD1-CD1 4.02Å; I299-I301 HydrophobicContact CD1-CG1 4.13Å; I299-I301 HydrophobicContact CG1-CD1 4.34Å; I299-I301 HydrophobicContact CG1-CG1 3.98Å; I301-G303 PolarHBondContact O-N 2.83Å; I301-I304 PolarHBondContact N-O 3.38Å; I301-I304 WeakPolarHBondContact O-CB 3.3Å; I301-I304 PolarHBondContact O-N 2.92Å
302N89.4Confident88.5Confident5 Ų518 Ų183%0.02710%0.098CC..THydrogen-bonded Turntrans48.546.1-177.4-61.6-19.4000111.8L205 P207 P215 D217 S222 V223 I304L205-N302 CarbonylContact O-C 3.59Å; P207-N302 WeakPolarHBondContact CG-OD1 3.19Å; P215-N302 PolarHBondContact O-ND2 3.4Å; D217-N302 PolarHBondContact OD1-ND2 3.37Å; S222-N302 WeakPolarHBondContact CA-OD1 3.33Å; V223-N302 PolarHBondContact N-OD1 3.08Å; V223-N302 PolarHBondContact O-N 3.34Å; V223-N302 PolarHBondContact O-OD1 3.22Å; N302-I304 VanDerWaalsContact C-N 3.33Å; N302-I304 PolarHBondContact O-N 3.28Å
303G83.6Confident88.6Confident8 Ų815.1 Ų15.18%0.0828%0.083CC..THydrogen-bonded Turntrans80.33178.400000115.8L205 I301L205-G303 PolarHBondContact O-N 2.75Å; I301-G303 PolarHBondContact O-N 2.83Å
304I82Confident88.7Confident12 Ų1217.4 Ų17.46%0.06210%0.104CC..EExtended strand (participates in β ladder)trans-101.1111.1-179.8-65.8158.6000109.9L108 Y116 P216 V300 I301 N302L108-I304 HydrophobicContact CD1-CG2 4.07Å; L108-I304 HydrophobicContact CD2-CG2 3.71Å; Y116-I304 HydrophobicContact CE1-CG2 4.07Å; P216-I304 HydrophobicContact CG-CD1 3.49Å; P216-I304 VanDerWaalsContact CG-CD1 3.49Å; V300-I304 CarbonylContact C-O 3.55Å; V300-I304 WeakPolarHBondContact CA-O 3.18Å; I301-I304 PolarHBondContact N-O 3.38Å; I301-I304 WeakPolarHBondContact O-CB 3.3Å; I301-I304 PolarHBondContact O-N 2.92Å; N302-I304 VanDerWaalsContact C-N 3.33Å; N302-I304 PolarHBondContact O-N 3.28Å
305D82.9Confident88.8Confident40 Ų4016.3 Ų16.321%0.21410%0.098CC..EExtended strand (participates in β ladder)trans-84.1135178.5172.440.7000112L193 Y227 H298 V300L193-D305 HydrophobicContact CD1-CB 4.02Å; Y227-D305 PolarHBondContact OH-OD1 3.09Å; Y227-D305 PolarHBondContact OH-OD2 2.71Å; H298-D305 IonicContact CG-OD1 2.88Å; H298-D305 IonicContact ND1-OD1 3.78Å; H298-D305 PolarHBondContact ND1-OD1 2.87Å; H298-D305 IonicContact ND1-OD2 3.71Å; V300-D305 HydrophobicContact CG2-CB 4.08Å
306M83.2Confident88.7Confident11 Ų1117 Ų175%0.05410%0.103CC..EExtended strand (participates in β ladder)trans-144.8147.3174.9-178.6174.366.100110.3A104 L107 L108 M251 I253 H298 I299 A308A104-M306 HydrophobicContact CB-CE 3.91Å; L107-M306 HydrophobicContact CB-CE 4.48Å; L108-M306 HydrophobicContact CD2-CB 4.14Å; L108-M306 HydrophobicContact CD2-CE 4.31Å; L108-M306 HydrophobicContact CD2-CG 4.47Å; L108-M306 HydrophobicContact CD2-SD 3.71Å; L108-M306 HydrophobicContact CG-CE 4.06Å; L108-M306 HydrophobicContact CG-SD 4.06Å; M251-M306 HydrophobicContact CB-CG 4.34Å; I253-M306 HydrophobicContact CD1-CE 4.19Å; I253-M306 HydrophobicContact CG1-CE 4.2Å; H298-M306 WeakPolarHBondContact CA-O 3.34Å; I299-M306 HydrophobicContact CG2-CE 4.18Å; I299-M306 PolarHBondContact N-O 2.87Å; I299-M306 PolarHBondContact O-N 2.96Å; M306-A308 PolarHBondContact O-N 2.85Å
307I82.7Confident88.5Confident7 Ų718.4 Ų18.44%0.03612%0.117CC..EExtended strand (participates in β ladder)trans-77.8114.1170-63.2176.2000107.9T250 F297 H298 A310T250-I307 HydrophobicContact CG2-CD1 3.69Å; F297-I307 CarbonylContact O-C 3.55Å; H298-I307 VanDerWaalsContact CE1-CG1 3.42Å; H298-I307 WeakPolarHBondContact CE1-CG1 3.09Å; I307-A310 HydrophobicContact CG2-CB 4.09Å
308A86.4Confident88.2Confident0 Ų021.9 Ų21.90%014%0.141CC..EExtended strand (participates in β ladder)trans-77.3-47.4176.800000111.2V99 I253 F297 I299 M306V99-A308 HydrophobicContact CG1-CB 4.09Å; V99-A308 HydrophobicContact CG2-CB 4.35Å; I253-A308 WeakPolarHBondContact CB-O 3.48Å; I253-A308 HydrophobicContact CD1-CB 3.89Å; I253-A308 WeakPolarHBondContact CD1-O 3.45Å; I253-A308 WeakPolarHBondContact CG1-O 3.45Å; F297-A308 HydrophobicContact CD1-CB 3.78Å; F297-A308 HydrophobicContact CE1-CB 4.03Å; F297-A308 HydrophobicContact CG-CB 4.11Å; F297-A308 PolarHBondContact O-N 3.2Å; I299-A308 HydrophobicContact CB-CB 4.4Å; I299-A308 HydrophobicContact CG2-CB 4Å; M306-A308 PolarHBondContact O-N 2.85Å
309I89Confident88.1Confident5 Ų522.9 Ų22.93%0.02615%0.147CC..EExtended strand (participates in β ladder)trans-142141.6-177.3-57.9178000108.7W97 V99 T276 R296 F297 E311W97-I309 HydrophobicContact CB-CD1 4.23Å; V99-I309 HydrophobicContact CG1-CD1 4.11Å; V99-I309 HydrophobicContact CG1-CG1 4.31Å; T276-I309 HydrophobicContact CG2-CG2 3.92Å; R296-I309 CarbonylContact C-O 3.54Å; R296-I309 WeakPolarHBondContact CA-O 3.4Å; F297-I309 HydrophobicContact CB-CB 4.11Å; F297-I309 HydrophobicContact CD1-CB 4.42Å; F297-I309 HydrophobicContact CD1-CD1 4.11Å; F297-I309 HydrophobicContact CD1-CG1 4.18Å; F297-I309 PolarHBondContact N-O 3.3Å; F297-I309 PolarHBondContact O-N 3.16Å; I309-E311 HydrophobicContact CG2-CG 4.23Å
310A87.6Confident87.9Confident17 Ų1723.4 Ų23.414%0.1415%0.149CC..EExtended strand (participates in β ladder)trans-141.2118.7169.600000109.6F295 R296 I307F295-A310 VanDerWaalsContact O-CA 3.31Å; F295-A310 WeakPolarHBondContact O-CA 3.36Å; R296-A310 HydrophobicContact CG-CB 4.14Å; I307-A310 HydrophobicContact CG2-CB 4.09Å
311E88.2Confident87.5Confident46 Ų4626.2 Ų26.222%0.21516%0.162CC..EExtended strand (participates in β ladder)trans-155.2167.1-176.264172.1-156.500112.3W97 T276 F295 I309 V313W97-E311 PolarHBondContact NE1-OE1 3.08Å; T276-E311 WeakPolarHBondContact CG2-OE2 3.23Å; F295-E311 HydrophobicContact CD1-CG 4.5Å; F295-E311 PolarHBondContact N-O 3.13Å; F295-E311 PolarHBondContact O-N 3.35Å; I309-E311 HydrophobicContact CG2-CG 4.23Å; E311-V313 HydrophobicContact CG-CG1 3.88Å; E311-V313 WeakPolarHBondContact OE1-CG1 3.44Å
312T88.8Confident86.3Confident83 Ų8335 Ų3551%0.50920%0.2SC..EExtended strand (participates in β ladder)trans-88129172.2-60.10000109.5L233 L292 F293L233-T312 HydrophobicContact CD1-CG2 3.68Å; L292-T312 HydrophobicContact CD2-CG2 4.22Å; F293-T312 CarbonylContact O-C 3.6Å; F293-T312 WeakPolarHBondContact O-CA 3.49Å
313V90.3Very high84.1Confident12 Ų1241 Ų417%0.07323%0.233CC..EExtended strand (participates in β ladder)trans-125.1141.7-179.8-56.70000110.3W97 L230 F293 F295 E311 I315W97-V313 HydrophobicContact CZ2-CB 4.33Å; W97-V313 HydrophobicContact CZ2-CG1 3.6Å; L230-V313 HydrophobicContact CD1-CG2 4.21Å; F293-V313 HydrophobicContact CB-CG2 4.01Å; F293-V313 PolarHBondContact N-O 2.77Å; F293-V313 PolarHBondContact O-N 2.8Å; F295-V313 HydrophobicContact CB-CB 4.41Å; F295-V313 HydrophobicContact CB-CG1 3.74Å; F295-V313 HydrophobicContact CB-CG2 3.72Å; F295-V313 HydrophobicContact CG-CG1 4.36Å; E311-V313 HydrophobicContact CG-CG1 3.88Å; E311-V313 WeakPolarHBondContact OE1-CG1 3.44Å; V313-I315 HydrophobicContact CG2-CD1 3.99Å; V313-I315 HydrophobicContact CG2-CG1 4.03Å
314A90.6Very high81.9Confident57 Ų5747.3 Ų47.347%0.47126%0.264SS..EExtended strand (participates in β ladder)trans-99.6121.5171.700000109.2K290 L291 L292K290-A314 HydrophobicContact CB-CB 4.05Å; K290-A314 HydrophobicContact CD-CB 4.12Å; L291-A314 WeakPolarHBondContact O-CA 3.48Å; L292-A314 HydrophobicContact CD2-CB 4Å
315I91.4Very high79.5Confident1 Ų154.1 Ų54.11%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-119.2129-178.5-58.1178.1000108.8L73 L230 L291 F293 V313 D319 F320L73-I315 HydrophobicContact CD2-CG1 4.23Å; L73-I315 HydrophobicContact CD2-CG2 4.03Å; L230-I315 HydrophobicContact CD1-CD1 3.87Å; L230-I315 HydrophobicContact CD2-CD1 3.97Å; L291-I315 PolarHBondContact N-O 2.82Å; L291-I315 PolarHBondContact O-N 3.44Å; F293-I315 HydrophobicContact CD2-CB 4.05Å; F293-I315 HydrophobicContact CD2-CD1 3.87Å; F293-I315 HydrophobicContact CD2-CG1 4.03Å; F293-I315 HydrophobicContact CE2-CB 3.95Å; F293-I315 HydrophobicContact CE2-CD1 4.27Å; F293-I315 HydrophobicContact CE2-CG1 4.4Å; V313-I315 HydrophobicContact CG2-CD1 3.99Å; V313-I315 HydrophobicContact CG2-CG1 4.03Å; I315-D319 HydrophobicContact CG2-CB 3.67Å; I315-F320 HydrophobicContact CB-CE2 4.16Å; I315-F320 HydrophobicContact CB-CZ 4.49Å; I315-F320 HydrophobicContact CG2-CD2 4.12Å; I315-F320 HydrophobicContact CG2-CE2 3.41Å; I315-F320 VanDerWaalsContact CG2-CE2 3.41Å; I315-F320 HydrophobicContact CG2-CZ 3.91Å
316S89.3Confident76.7Confident16 Ų1657.3 Ų57.311%0.11232%0.324CS..  trans-74.3145.5177.6176.30000110.6S318 D319 F320S316-S318 PolarHBondContact O-N 3.24Å; S316-S318 VanDerWaalsContact O-N 3.08Å; S316-S318 PolarHBondContact OG-N 2.84Å; S316-S318 PolarHBondContact OG-OG 3.41Å; S316-D319 WeakPolarHBondContact CB-OD2 3.46Å; S316-D319 PolarHBondContact N-OD2 3.35Å; S316-D319 VanDerWaalsContact O-CB 3.26Å; S316-D319 WeakPolarHBondContact O-CB 3.47Å; S316-D319 PolarHBondContact O-N 3.26Å; S316-F320 WeakPolarHBondContact O-CD2 3.39Å
317P86.3Confident74.1Confident66 Ų6662.9 Ų62.943%0.42936%0.358SS..G310 helixtrans-52.2-29170.8-27.635.7000114.1D319 F320P317-D319 PolarHBondContact O-N 3.02Å; P317-F320 PolarHBondContact O-N 2.86Å
318S87.8Confident71.3Confident73 Ų7368.7 Ų68.751%0.5139%0.389SS..G310 helixtrans-68.5-18.7176.560.50000114.3S316 F320 R373S316-S318 PolarHBondContact O-N 3.24Å; S316-S318 VanDerWaalsContact O-N 3.08Å; S316-S318 PolarHBondContact OG-N 2.84Å; S316-S318 PolarHBondContact OG-OG 3.41Å; S318-F320 PolarHBondContact O-N 2.75Å; S318-R373 PolarHBondContact O-NH1 3.47Å; S318-R373 VanDerWaalsContact O-NH1 3.09Å
319D91.7Very high68.4Low20 Ų2074.6 Ų74.611%0.10743%0.43CS..G310 helixtrans-81.7-3.2178.6-57.5-44.2000112.5L73 R95 I315 S316 P317 P372 R373L73-D319 HydrophobicContact CD1-CB 4.22Å; L73-D319 HydrophobicContact CD2-CB 4.14Å; L73-D319 HydrophobicContact CG-CB 4.3Å; R95-D319 IonicContact CZ-OD1 2.76Å; R95-D319 IonicContact CZ-OD2 3.86Å; R95-D319 IonicContact NH1-OD1 3.66Å; R95-D319 IonicContact NH2-OD1 3.56Å; R95-D319 PolarHBondContact NH2-OD1 2.81Å; R95-D319 IonicContact NH2-OD2 3.04Å; R95-D319 PolarHBondContact NH2-OD2 3.32Å; I315-D319 HydrophobicContact CG2-CB 3.67Å; S316-D319 WeakPolarHBondContact CB-OD2 3.46Å; S316-D319 PolarHBondContact N-OD2 3.35Å; S316-D319 VanDerWaalsContact O-CB 3.26Å; S316-D319 WeakPolarHBondContact O-CB 3.47Å; S316-D319 PolarHBondContact O-N 3.26Å; P317-D319 PolarHBondContact O-N 3.02Å; D319-P372 CarbonylContact O-C 3.6Å; D319-R373 VanDerWaalsContact O-CB 3.25Å; D319-R373 WeakPolarHBondContact O-CB 3.49Å; D319-R373 VanDerWaalsContact O-CG 3.3Å; D319-R373 WeakPolarHBondContact O-CG 3.36Å; D319-R373 PolarHBondContact O-N 2.93Å
320F90.1Very high65.4Low12 Ų1277.7 Ų77.75%0.05345%0.453CS..BIsolated β-bridgetrans-96.8153.3175.4-70.9-89.5000111.2L230 F293 I315 S316 P317 S318 P368 P372L230-F320 HydrophobicContact CD2-CZ 4.4Å; F293-F320 HydrophobicContact CE2-CE2 4.25Å; F293-F320 AromaticContact CE2-CZ 3.85Å; F293-F320 HydrophobicContact CE2-CZ 3.85Å; F293-F320 HydrophobicContact CZ-CE2 4.35Å; F293-F320 AromaticContact CZ-CZ 3.7Å; F293-F320 HydrophobicContact CZ-CZ 3.7Å; I315-F320 HydrophobicContact CB-CE2 4.16Å; I315-F320 HydrophobicContact CB-CZ 4.49Å; I315-F320 HydrophobicContact CG2-CD2 4.12Å; I315-F320 HydrophobicContact CG2-CE2 3.41Å; I315-F320 VanDerWaalsContact CG2-CE2 3.41Å; I315-F320 HydrophobicContact CG2-CZ 3.91Å; S316-F320 WeakPolarHBondContact O-CD2 3.39Å; P317-F320 PolarHBondContact O-N 2.86Å; S318-F320 PolarHBondContact O-N 2.75Å; F320-P368 HydrophobicContact CE1-CG 4.45Å; F320-P372 HydrophobicContact CD1-CB 4.09Å; F320-P372 HydrophobicContact CE1-CB 3.88Å; F320-P372 HydrophobicContact CE1-CG 4.43Å; F320-P372 HydrophobicContact CZ-CB 4.44Å
321E83.9Confident62.5Low59 Ų5986.3 Ų86.328%0.27649%0.487SS..  trans-62.7139.3169.5-71.3-172.1139.500110.9F45 N323 S370 T371 R373F45-E321 HydrophobicContact CD2-CG 3.9Å; F45-E321 VanDerWaalsContact CD2-OE1 3.27Å; F45-E321 WeakPolarHBondContact CD2-OE1 3.46Å; F45-E321 HydrophobicContact CE2-CG 4.26Å; E321-N323 PolarHBondContact O-N 2.9Å; E321-S370 PolarHBondContact N-OG 2.8Å; E321-S370 PolarHBondContact O-OG 2.75Å; E321-T371 PolarHBondContact N-O 3.48Å; E321-T371 WeakPolarHBondContact OE2-CB 3.35Å; E321-T371 PolarHBondContact OE2-OG1 2.95Å; E321-R373 HydrophobicContact CG-CG 4.44Å
322K66.3Low59.3Low185 Ų18589 Ų8980%0.80451%0.512SS*.SBendtrans-76.923.9-178.9-78.6-170.5170.5-177.90114.9L324K322-L324 PolarHBondContact O-N 3.35Å
323N44.8Very low56.4Low132 Ų13291.1 Ų91.171%0.70653%0.526SS*.  trans-80.354.2171.6-70.5-32.6000111.2E321E321-N323 PolarHBondContact O-N 2.9Å
324L37Very low53.3Low140 Ų14096 Ų9673%0.73356%0.556SS**SBendtrans-85.9118.5155.3-80.1156000104.9K322 S326K322-L324 PolarHBondContact O-N 3.35Å; L324-S326 PolarHBondContact O-N 2.88Å
325I30.1Very low50.3Low154 Ų154100.8 Ų100.879%0.7957%0.574SS**  trans-28.9112.3178.8-62.7161.7000110.1V327I325-V327 HydrophobicContact CG2-CG2 4.28Å; I325-V327 PolarHBondContact O-N 3.28Å
326S24.7Very low47.2Very low107 Ų107104 Ų10475%0.74861%0.607SS**  trans-58.795158.749.50000106.3L324 D328L324-S326 PolarHBondContact O-N 2.88Å; S326-D328 PolarHBondContact O-N 2.97Å; S326-D328 VanDerWaalsContact O-N 3.11Å
327V29Very low44.2Very low128 Ų128110.9 Ų110.978%0.77664%0.643SS**  trans-65110159177.20000104I325 S329I325-V327 HydrophobicContact CG2-CG2 4.28Å; I325-V327 PolarHBondContact O-N 3.28Å; V327-S329 PolarHBondContact O-N 2.52Å
328D24.2Very low41.3Very low130 Ų130112.2 Ų112.270%0.69566%0.659SS**  trans-38.4114175.3-101.8-39.1000109.9S326 S330S326-D328 PolarHBondContact O-N 2.97Å; S326-D328 VanDerWaalsContact O-N 3.11Å; D328-S330 PolarHBondContact O-N 3.29Å
329S26Very low38.4Very low123 Ų123114 Ų11486%0.8667%0.672SS**  trans-73.337.7167.253.30000110.9V327V327-S329 PolarHBondContact O-N 2.52Å
330S25.7Very low35.1Very low71 Ų71118 Ų11850%0.49770%0.701SS.*  trans-101.433.6179.478.10000112.1D328D328-S330 PolarHBondContact O-N 3.29Å
331F26.9Very low31.9Very low197 Ų197124.3 Ų124.386%0.86473%0.734SS**  trans-146.685.7157.2-79.1-73.6000108.7P333F331-P333 WeakPolarHBondContact O-CD 3.45Å
332S21.2Very low28.8Very low104 Ų104128.8 Ų128.873%0.72776%0.76SS**  trans-81.2113.7158.353.70000108.8V334S332-V334 PolarHBondContact O-N 2.93Å
333P26.4Very low26.7Very low126 Ų126130 Ų13082%0.81876%0.761SS**  trans-81.5113.2157.9-0.720.6000107.6F331F331-P333 WeakPolarHBondContact O-CD 3.45Å
334V26.3Very low25.5Very low114 Ų114128.6 Ų128.669%0.69176%0.762SS**  trans-57.4130.1165.3171.50000109.2S332S332-V334 PolarHBondContact O-N 2.93Å
335N27.6Very low24.8Very low158 Ų158128.8 Ų128.885%0.84577%0.768SS**  trans47.2132.7154.2-60.5-18.8000120.1
336G26.6Very low24.3Very low69 Ų69126.9 Ų126.971%0.71176%0.764SS**  trans124.696.9146.600000113.5
337D25.3Very low24.3Very low160 Ų160129 Ų12986%0.85677%0.767SS**  trans42.3114.7139.9-59.6-20.7000119.6
338A26.7Very low24Very low94 Ų94127.7 Ų127.778%0.77776%0.763SS**SBendtrans36.3117.5133.500000118.3
339S26Very low23.9Very low111 Ų111128.3 Ų128.378%0.77677%0.772SS**SBendtrans85108.2156.972.60000117.8
340S23Very low23.9Very low104 Ų104127.6 Ų127.673%0.72777%0.767SS**  trans56.895.214860.80000118.4
341I22.5Very low23.8Very low145 Ų145133.2 Ų133.274%0.74479%0.785SS**  trans-131.2109.6144.3-58.8-178.1000109.2Y343I341-Y343 HydrophobicContact CG2-CD2 4.14Å; I341-Y343 HydrophobicContact CG2-CE2 3.72Å
342N19.1Very low23.7Very low153 Ų153130.2 Ų130.282%0.81878%0.783SS**  trans-63.9136.2166.4-72.5-39.9000110.1
343Y22.1Very low23.9Very low211 Ų211131.9 Ų131.983%0.82779%0.792SS**  trans-123118.9151.8-82.5-76.5000110.6I341I341-Y343 HydrophobicContact CG2-CD2 4.14Å; I341-Y343 HydrophobicContact CG2-CE2 3.72Å
344S19.1Very low23.8Very low102 Ų102129.3 Ų129.371%0.71379%0.788SS**  trans-63.1138.6166.650.40000111.9
345V23Very low23.7Very low144 Ų144129.8 Ų129.887%0.87380%0.796SS**  trans-118.6123.9150.1177.80000107.5
346T19.1Very low23.6Very low114 Ų114132.3 Ų132.370%0.69980%0.796SS**  trans-67.1139-177.649.60000112.2
347N24.2Very low23.3Very low152 Ų152135.4 Ų135.481%0.81380%0.801SS**  trans-157.6110.4132.9-96.3-15.5000110.6
348S22.7Very low23.3Very low100 Ų100134.2 Ų134.270%0.69980%0.799SS**  trans28104147.857.70000119.4
349T23.2Very low23Very low143 Ų143134.5 Ų134.588%0.87780%0.796SS**  11.2103.7127.252.20000118.1
350S24.6Very low22.9Very low107 Ų107135.4 Ų135.475%0.74879%0.792SS**  -154.7121.1118.558.50000109.3
351E24.1Very low23Very low189 Ų189140.4 Ų140.488%0.88380%0.795SS**SBendtrans98118.4162.9-53.6-174.6179.800118.8
352T24.8Very low23.2Very low134 Ų134141.9 Ų141.982%0.82280%0.798SS**  trans-8.4134171.943.70000120.3
353P25Very low23.6Very low139 Ų139139.8 Ų139.890%0.90380%0.796SS**  trans-89.7131.6-174.334.4-30.9000112.9
354G24.6Very low23.9Very low73 Ų73136.9 Ų136.975%0.75379%0.788SS**  trans169.450.1170.800000113.5
355S23.6Very low24.5Very low123 Ų123139.5 Ų139.586%0.8679%0.794SS**  trans-112.5130.9172.2-174.30000110.8
356Y25.7Very low24.9Very low212 Ų212140 Ų14083%0.83179%0.791SS**  trans-68.9144.6-174.8-73.7-98.5000112.6T358Y356-T358 PolarHBondContact O-N 2.88Å
357T20.7Very low26Very low134 Ų134139.5 Ų139.582%0.82278%0.784SS**  trans-62120.9167.349.80000111.4
358T24.8Very low26.8Very low134 Ų134134.4 Ų134.482%0.82276%0.758SS**  trans-125.894.8155.956.40000108.7Y356Y356-T358 PolarHBondContact O-N 2.88Å
359S21.6Very low28.3Very low100 Ų100135.7 Ų135.770%0.69977%0.767SS**  trans-59.7121.9150.845.70000108.7
360D23.9Very low30.7Very low131 Ų131129.6 Ų129.670%0.70173%0.731SS**  157.9128.3128.4-84.5-29.4000113
361R24.5Very low33.5Very low209 Ų209125.2 Ų125.279%0.78970%0.7SS**  trans63.490.1141.3-62.1173.3177.5-148.6-4.4118.6
362H27.9Very low36.8Very low176 Ų176116.3 Ų116.382%0.81566%0.658SS**  trans-149.473.4137.2-77.1-59.3000110F364H362-F364 PolarHBondContact O-N 2.86Å
363S26.9Very low40Very low109 Ų109114.9 Ų114.976%0.76264%0.638SS**G310 helixtrans-77.821169.831.30000113.3
364F27.1Very low43.4Very low149 Ų149108.3 Ų108.365%0.65460%0.595SS**G310 helixtrans-95.33.5-172.7-79.7-78.1000115.8H362 N366H362-F364 PolarHBondContact O-N 2.86Å; F364-N366 VanDerWaalsContact C-N 3.32Å; F364-N366 PolarHBondContact O-N 3.02Å
365D32.2Very low46.8Very low158 Ų158105.3 Ų105.385%0.84556%0.561SS**G310 helixtrans-84.1-0.2178.1-84.9-20.6000114.5I367D365-I367 PolarHBondContact O-N 3.17Å
366N31.1Very low50.3Low154 Ų15499.4 Ų99.482%0.82452%0.52SS*.  trans-97.353.1174.5-72.6-16.8000112F364F364-N366 VanDerWaalsContact C-N 3.32Å; F364-N366 PolarHBondContact O-N 3.02Å
367I42.6Very low53.8Low104 Ų10489.3 Ų89.353%0.53348%0.48SS..  trans-60.2126.2162.3-65.7161.6000106.4P232 D365 S369P232-I367 HydrophobicContact CG-CD1 3.9Å; P232-I367 HydrophobicContact CG-CG1 4.37Å; P232-I367 HydrophobicContact CG-CG2 4.05Å; D365-I367 PolarHBondContact O-N 3.17Å; I367-S369 PolarHBondContact O-N 2.89Å
368P42Very low57.5Low44 Ų4483 Ų8329%0.28644%0.441SS..  trans-60.9113.1-174.219.5-28.5000109.4L291 F320 S370L291-P368 HydrophobicContact CD1-CG 4.29Å; F320-P368 HydrophobicContact CE1-CG 4.45Å; P368-S370 PolarHBondContact O-N 3.11Å
369S53.6Low61Low127 Ų12776.7 Ų76.789%0.88840%0.402SS*.  trans-64.74.1159.758.70000112.1I367I367-S369 PolarHBondContact O-N 2.89Å
370S73.2Confident64.7Low16 Ų1671.9 Ų71.911%0.11237%0.369CS..SBendtrans-71.8142.6178.6-177.80000111.9E321 P368E321-S370 PolarHBondContact N-OG 2.8Å; E321-S370 PolarHBondContact O-OG 2.75Å; P368-S370 PolarHBondContact O-N 3.11Å
371T84.4Confident68.2Low15 Ų1567.2 Ų67.29%0.09234%0.342CS..PPolyproline II helixtrans-70.7123.6172-49.30000108.9F45 R47 E321F45-T371 HydrophobicContact CB-CG2 3.87Å; R47-T371 HydrophobicContact CB-CG2 4.36Å; R47-T371 HydrophobicContact CG-CG2 3.37Å; R47-T371 VanDerWaalsContact CG-OG1 3.22Å; R47-T371 WeakPolarHBondContact CG-OG1 3.48Å; E321-T371 PolarHBondContact N-O 3.48Å; E321-T371 WeakPolarHBondContact OE2-CB 3.35Å; E321-T371 PolarHBondContact OE2-OG1 2.95Å
372P91.8Very high71.6Confident1 Ų157.2 Ų57.21%0.00630%0.304CS..BIsolated β-bridgetrans-63145.5164.830.3-34.5000108.3L73 Y228 D319 F320 M374L73-P372 HydrophobicContact CD1-CB 4.34Å; Y228-P372 HydrophobicContact CE2-CG 4.36Å; Y228-P372 WeakPolarHBondContact OH-CG 3.26Å; D319-P372 CarbonylContact O-C 3.6Å; F320-P372 HydrophobicContact CD1-CB 4.09Å; F320-P372 HydrophobicContact CE1-CB 3.88Å; F320-P372 HydrophobicContact CE1-CG 4.43Å; F320-P372 HydrophobicContact CZ-CB 4.44Å; P372-M374 HydrophobicContact CB-CB 4.5Å; P372-M374 HydrophobicContact CG-CB 4.39Å; P372-M374 PolarHBondContact O-N 2.73Å
373R93.7Very high74.8Confident105 Ų10551.2 Ų51.240%0.39628%0.276SS..SBendtrans-72.444.1179.3-68.9175164.2170-9.7112.2F45 S318 D319 E321F45-R373 VanDerWaalsContact CD1-C 3.49Å; F45-R373 HydrophobicContact CD1-CB 4.03Å; F45-R373 HydrophobicContact CD2-CG 4.22Å; F45-R373 HydrophobicContact CE1-CB 3.84Å; F45-R373 HydrophobicContact CE1-CG 4.24Å; F45-R373 HydrophobicContact CE2-CB 4.35Å; F45-R373 HydrophobicContact CE2-CG 3.88Å; F45-R373 HydrophobicContact CG-CB 4.39Å; F45-R373 HydrophobicContact CZ-CB 4.01Å; F45-R373 HydrophobicContact CZ-CG 3.9Å; S318-R373 PolarHBondContact O-NH1 3.47Å; S318-R373 VanDerWaalsContact O-NH1 3.09Å; D319-R373 VanDerWaalsContact O-CB 3.25Å; D319-R373 WeakPolarHBondContact O-CB 3.49Å; D319-R373 VanDerWaalsContact O-CG 3.3Å; D319-R373 WeakPolarHBondContact O-CG 3.36Å; D319-R373 PolarHBondContact O-N 2.93Å; E321-R373 HydrophobicContact CG-CG 4.44Å
374M95.1Very high78.2Confident0 Ų046 Ų460%024%0.24CC..  trans-90.6125.7-176.8-170.7172.9-68.500109.3F45 I46 F71 T72 L73 W97 Y228 F295 P372F45-M374 CarbonylContact C-O 3.54Å; F45-M374 VanDerWaalsContact CA-O 3.31Å; F45-M374 WeakPolarHBondContact CA-O 3.49Å; I46-M374 PolarHBondContact N-O 2.88Å; F71-M374 HydrophobicContact CB-CG 3.71Å; F71-M374 HydrophobicContact CB-SD 3.6Å; F71-M374 HydrophobicContact CD1-CG 4.22Å; F71-M374 HydrophobicContact CD1-SD 4.32Å; F71-M374 HydrophobicContact CG-CG 4.26Å; F71-M374 HydrophobicContact CG-SD 3.97Å; T72-M374 CarbonylContact O-C 3.5Å; T72-M374 VanDerWaalsContact O-CA 3.27Å; T72-M374 WeakPolarHBondContact O-CA 3.33Å; L73-M374 HydrophobicContact CD1-CB 4.16Å; W97-M374 HydrophobicContact CE3-CE 4.2Å; W97-M374 HydrophobicContact CH2-CE 4.19Å; W97-M374 HydrophobicContact CZ3-CE 3.54Å; Y228-M374 HydrophobicContact CD1-SD 3.85Å; Y228-M374 HydrophobicContact CD2-SD 4.11Å; Y228-M374 HydrophobicContact CE1-CG 4.39Å; Y228-M374 HydrophobicContact CE1-SD 3.66Å; Y228-M374 HydrophobicContact CE2-CE 4.48Å; Y228-M374 HydrophobicContact CE2-SD 3.91Å; Y228-M374 HydrophobicContact CG-SD 4.08Å; F295-M374 HydrophobicContact CE2-CE 3.99Å; F295-M374 HydrophobicContact CE2-SD 3.97Å; P372-M374 HydrophobicContact CB-CB 4.5Å; P372-M374 HydrophobicContact CG-CB 4.39Å; P372-M374 PolarHBondContact O-N 2.73Å
375R96.7Very high81.6Confident10 Ų1039.8 Ų39.84%0.03821%0.213CC..EExtended strand (participates in β ladder)trans-109.2150.5177.3-68.6-179.4-75.2-157.1-15.4111I41 S42 F45 F71 T72 L74 D76I41-R375 HydrophobicContact CG2-CB 3.49Å; I41-R375 VanDerWaalsContact CG2-CB 3.49Å; I41-R375 HydrophobicContact CG2-CG 4.17Å; S42-R375 VanDerWaalsContact O-CD 3.3Å; S42-R375 WeakPolarHBondContact O-CD 3.05Å; S42-R375 WeakPolarHBondContact OG-CB 3.32Å; F45-R375 HydrophobicContact CD1-CG 3.63Å; F45-R375 HydrophobicContact CE1-CG 4Å; F71-R375 CarbonylContact C-O 3.38Å; F71-R375 VanDerWaalsContact CA-O 3.26Å; F71-R375 WeakPolarHBondContact CA-O 3.49Å; T72-R375 HydrophobicContact CG2-CB 4.32Å; T72-R375 PolarHBondContact N-O 3.37Å; T72-R375 PolarHBondContact O-N 2.88Å; L74-R375 PolarHBondContact O-NH2 2.78Å; D76-R375 IonicContact OD1-CZ 3.85Å; D76-R375 IonicContact OD1-NH1 3.98Å; D76-R375 PolarHBondContact OD1-NH1 3Å; D76-R375 IonicContact OD1-NH2 2.95Å; D76-R375 PolarHBondContact OD1-NH2 3.48Å
376A97.9Very high84.8Confident0 Ų032.3 Ų32.30%017%0.172CC..EExtended strand (participates in β ladder)trans-74.3140170.400000110.1I41 S42 I46 V52 G70 F71 I226 F378I41-A376 CarbonylContact C-O 3.42Å; I41-A376 WeakPolarHBondContact CA-O 3.37Å; S42-A376 PolarHBondContact N-O 3.16Å; S42-A376 PolarHBondContact OG-N 2.87Å; I46-A376 HydrophobicContact CD1-CB 4.49Å; I46-A376 HydrophobicContact CG1-CB 4.03Å; V52-A376 HydrophobicContact CG1-CB 4.49Å; G70-A376 WeakPolarHBondContact O-CA 3.49Å; F71-A376 HydrophobicContact CD1-CB 4.4Å; F71-A376 HydrophobicContact CE1-CB 4.22Å; I226-A376 HydrophobicContact CD1-CB 4.18Å; A376-F378 HydrophobicContact CB-CE2 3.67Å; A376-F378 HydrophobicContact CB-CZ 4.06Å
377V98.4Very high88Confident0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-119.3134.6-179.7-1760000108.9V39 I41 V69 G70 T72 L90 I98V39-V377 HydrophobicContact CG1-CG1 4.2Å; I41-V377 HydrophobicContact CD1-CB 4.04Å; I41-V377 HydrophobicContact CD1-CG1 3.72Å; I41-V377 HydrophobicContact CD1-CG2 3.75Å; V69-V377 WeakPolarHBondContact CA-O 3.48Å; G70-V377 PolarHBondContact N-O 3.43Å; G70-V377 PolarHBondContact O-N 2.94Å; T72-V377 HydrophobicContact CG2-CG2 3.43Å; T72-V377 VanDerWaalsContact CG2-CG2 3.43Å; L90-V377 HydrophobicContact CD1-CG1 3.92Å; I98-V377 HydrophobicContact CD1-CB 4.21Å; I98-V377 HydrophobicContact CD1-CG1 3.77Å; I98-V377 HydrophobicContact CD1-CG2 4.47Å
378F98.6Very high90.6Very high2 Ų222.3 Ų22.31%0.00912%0.119CC..EExtended strand (participates in β ladder)trans-132.4122.1172.6-53.4-93.9000109.4F11 V39 V40 V52 V54 R68 V69 I226 A376 I387 L389F11-F378 AromaticContact CE1-CD2 3.75Å; F11-F378 HydrophobicContact CE1-CD2 3.75Å; F11-F378 HydrophobicContact CE1-CE2 4.14Å; F11-F378 HydrophobicContact CE1-CG 4.38Å; V39-F378 CarbonylContact C-O 3.52Å; V39-F378 WeakPolarHBondContact CA-O 3.21Å; V40-F378 HydrophobicContact CG2-CB 3.88Å; V40-F378 PolarHBondContact N-O 2.95Å; V40-F378 PolarHBondContact O-N 2.76Å; V52-F378 HydrophobicContact CG1-CE2 4.41Å; V52-F378 HydrophobicContact CG1-CZ 3.83Å; V54-F378 HydrophobicContact CB-CE1 4.3Å; V54-F378 HydrophobicContact CG1-CD1 3.91Å; V54-F378 HydrophobicContact CG1-CE1 3.48Å; V54-F378 VanDerWaalsContact CG1-CE1 3.48Å; V54-F378 HydrophobicContact CG1-CE2 4.49Å; V54-F378 HydrophobicContact CG1-CZ 3.81Å; V54-F378 HydrophobicContact CG2-CD1 4.01Å; V54-F378 HydrophobicContact CG2-CE1 3.8Å; R68-F378 CarbonylContact O-C 3.48Å; R68-F378 WeakPolarHBondContact O-CA 3.46Å; V69-F378 HydrophobicContact CB-CD1 4.36Å; V69-F378 HydrophobicContact CG1-CD1 3.7Å; V69-F378 HydrophobicContact CG1-CE1 4.1Å; I226-F378 HydrophobicContact CD1-CE1 4.31Å; I226-F378 HydrophobicContact CD1-CZ 4.17Å; A376-F378 HydrophobicContact CB-CE2 3.67Å; A376-F378 HydrophobicContact CB-CZ 4.06Å; F378-I387 HydrophobicContact CB-CD1 3.56Å; F378-I387 HydrophobicContact CD1-CD1 4.1Å; F378-I387 HydrophobicContact CG-CD1 3.92Å; F378-L389 HydrophobicContact CZ-CD2 4.49Å
379D98.5Very high93.2Very high0 Ų020.8 Ų20.80%011%0.108CC..EExtended strand (participates in β ladder)trans-100.9102.9172.1-169.11.9000108.7V39 L67 R68 A86 Y381V39-D379 HydrophobicContact CG2-CB 4.26Å; L67-D379 WeakPolarHBondContact CD1-O 3.12Å; R68-D379 HydrophobicContact CB-CB 3.93Å; R68-D379 WeakPolarHBondContact CD-OD2 3.21Å; R68-D379 HydrophobicContact CG-CB 4.43Å; R68-D379 IonicContact CZ-OD2 3.77Å; R68-D379 PolarHBondContact N-O 3.42Å; R68-D379 VanDerWaalsContact N-O 3.14Å; R68-D379 IonicContact NE-OD2 3.99Å; R68-D379 IonicContact NH1-OD2 3.78Å; R68-D379 PolarHBondContact NH1-OD2 3.24Å; R68-D379 PolarHBondContact O-N 2.94Å; A86-D379 HydrophobicContact CB-CB 3.7Å; A86-D379 WeakPolarHBondContact CB-OD2 3.27Å; A86-D379 PolarHBondContact N-OD2 3.36Å; D379-Y381 PolarHBondContact O-N 2.92Å
380V98.1Very high95.1Very high0 Ų017.3 Ų17.30%08%0.075CC..  trans-72.573.1176.3-173.90000108.7R31 G38 T384 K385 I387R31-V380 HydrophobicContact CB-CB 4.47Å; R31-V380 HydrophobicContact CB-CG1 3.93Å; R31-V380 VanDerWaalsContact CD-O 3.28Å; R31-V380 WeakPolarHBondContact CD-O 3.42Å; R31-V380 PolarHBondContact NE-O 3.08Å; G38-V380 WeakPolarHBondContact O-CB 3.43Å; G38-V380 WeakPolarHBondContact O-CG2 3Å; G38-V380 PolarHBondContact O-N 2.93Å; V380-T384 HydrophobicContact CG1-CG2 4.27Å; V380-T384 WeakPolarHBondContact CG1-O 3.13Å; V380-K385 WeakPolarHBondContact CG1-O 3.36Å; V380-I387 HydrophobicContact CG2-CD1 3.82Å; V380-I387 HydrophobicContact CG2-CG1 3.88Å
381Y97.1Very high96Very high32 Ų3220.5 Ų20.513%0.12510%0.098CC..  trans-105.2152.4-168.3172.1-108.7000112.7F35 D66 F85 D379 Q383 T384F35-Y381 AromaticContact CD2-CE2 3.9Å; F35-Y381 HydrophobicContact CD2-CE2 3.9Å; F35-Y381 HydrophobicContact CE2-CE2 4.36Å; F35-Y381 VanDerWaalsContact O-CD2 3.23Å; F35-Y381 WeakPolarHBondContact O-CD2 3.29Å; D66-Y381 CarbonylContact C-O 3.46Å; D66-Y381 WeakPolarHBondContact O-CD1 3.26Å; F85-Y381 AromaticContact CD1-CD2 3.92Å; F85-Y381 HydrophobicContact CD1-CD2 3.92Å; F85-Y381 AromaticContact CD1-CE2 3.79Å; F85-Y381 HydrophobicContact CD1-CE2 3.79Å; F85-Y381 HydrophobicContact CE1-CD2 4.06Å; F85-Y381 AromaticContact CE1-CE2 3.64Å; F85-Y381 HydrophobicContact CE1-CE2 3.64Å; D379-Y381 PolarHBondContact O-N 2.92Å; Y381-Q383 PolarHBondContact O-N 3.17Å; Y381-T384 PolarHBondContact O-N 3.34Å; Y381-T384 VanDerWaalsContact O-N 3.12Å
382G96Very high96.2Very high0 Ų019.9 Ų19.90%09%0.094CC..THydrogen-bonded Turntrans64.9-123.3167.900000113R31 F35 T64 T384R31-G382 PolarHBondContact NH2-O 2.78Å; F35-G382 PolarHBondContact O-N 2.82Å; T64-G382 WeakPolarHBondContact O-CA 3.46Å; G382-T384 VanDerWaalsContact C-N 3.31Å; G382-T384 PolarHBondContact O-N 2.72Å
383Q96.8Very high95.8Very high50 Ų5024.1 Ų24.123%0.23411%0.114CC..THydrogen-bonded Turntrans-72-23.1178.878.7-168-57.500113.1T59 Q60 G65 Y381 K385T59-Q383 CarbonylContact C-O 3.49Å; T59-Q383 VanDerWaalsContact CA-O 3.25Å; T59-Q383 WeakPolarHBondContact CA-O 3.37Å; Q60-Q383 PolarHBondContact N-O 3.06Å; G65-Q383 WeakPolarHBondContact O-CG 3.4Å; G65-Q383 PolarHBondContact O-N 3.16Å; G65-Q383 PolarHBondContact O-NE2 2.98Å; Y381-Q383 PolarHBondContact O-N 3.17Å; Q383-K385 PolarHBondContact O-N 2.88Å
384T98Very high95.5Very high0 Ų019.2 Ų19.20%010%0.095CC..EExtended strand (participates in β ladder)trans-73.9121.7179.1-55.20000109.4R31 I56 L67 V380 Y381 G382 I387R31-T384 PolarHBondContact NH2-O 3.41Å; I56-T384 HydrophobicContact CD1-CG2 4.41Å; I56-T384 HydrophobicContact CG1-CG2 4.29Å; I56-T384 HydrophobicContact CG2-CG2 4.19Å; L67-T384 HydrophobicContact CB-CG2 4.12Å; L67-T384 HydrophobicContact CD1-CG2 4.4Å; L67-T384 PolarHBondContact N-OG1 3.38Å; L67-T384 VanDerWaalsContact N-OG1 3.1Å; V380-T384 HydrophobicContact CG1-CG2 4.27Å; V380-T384 WeakPolarHBondContact CG1-O 3.13Å; Y381-T384 PolarHBondContact O-N 3.34Å; Y381-T384 VanDerWaalsContact O-N 3.12Å; G382-T384 VanDerWaalsContact C-N 3.31Å; G382-T384 PolarHBondContact O-N 2.72Å; T384-I387 HydrophobicContact CG2-CG2 3.77Å
385K98Very high94.7Very high18 Ų1820.7 Ų20.78%0.07810%0.103CC..EExtended strand (participates in β ladder)trans-105.7-38-174.3-172.562.7167.2178.40112.8R31 Q32 E58 Q60 V380 Q383R31-K385 PolarHBondContact N-O 2.93Å; R31-K385 WeakPolarHBondContact O-CD 3.4Å; R31-K385 WeakPolarHBondContact O-CE 3.4Å; R31-K385 PolarHBondContact O-NZ 3.12Å; Q32-K385 PolarHBondContact O-NZ 2.7Å; E58-K385 HydrophobicContact CB-CB 3.94Å; E58-K385 HydrophobicContact CB-CG 4.3Å; E58-K385 WeakPolarHBondContact O-CA 3.42Å; E58-K385 WeakPolarHBondContact O-CB 3.45Å; E58-K385 PolarHBondContact O-N 3.07Å; Q60-K385 HydrophobicContact CB-CB 4.21Å; Q60-K385 HydrophobicContact CB-CD 4.29Å; Q60-K385 HydrophobicContact CB-CG 4.47Å; Q60-K385 VanDerWaalsContact OE1-CE 3.25Å; V380-K385 WeakPolarHBondContact CG1-O 3.36Å; Q383-K385 PolarHBondContact O-N 2.88Å
386A98.5Very high93.6Very high0 Ų022.8 Ų22.80%012%0.119CC..EExtended strand (participates in β ladder)trans-147.2144.2176.200000112A29 R30 T57 E58A29-A386 CarbonylContact O-C 3.51Å; A29-A386 VanDerWaalsContact O-CA 3.27Å; A29-A386 WeakPolarHBondContact O-CA 3.33Å; R30-A386 HydrophobicContact CB-CB 3.87Å; R30-A386 HydrophobicContact CG-CB 3.91Å; T57-A386 PolarHBondContact N-O 2.82Å; T57-A386 WeakPolarHBondContact OG1-CB 3.43Å; T57-A386 PolarHBondContact OG1-O 3.32Å; E58-A386 HydrophobicContact CB-CB 3.76Å; E58-A386 HydrophobicContact CG-CB 3.99Å; E58-A386 PolarHBondContact N-O 3.48Å; E58-A386 PolarHBondContact O-N 2.74Å; E58-A386 VanDerWaalsContact O-N 3.1Å
387I98.5Very high92.1Very high0 Ų025.7 Ų25.70%013%0.134CC..EExtended strand (participates in β ladder)trans-127.3153.6174.262174.7000110.4F11 K28 A29 V54 E55 I56 L67 F378 V380 T384F11-I387 HydrophobicContact CE1-CD1 4.41Å; F11-I387 HydrophobicContact CZ-CD1 3.9Å; F11-I387 HydrophobicContact CZ-CG1 4.06Å; K28-I387 WeakPolarHBondContact CA-O 3.17Å; K28-I387 WeakPolarHBondContact CG-O 3.19Å; A29-I387 HydrophobicContact CB-CG1 4.04Å; A29-I387 PolarHBondContact N-O 2.83Å; A29-I387 PolarHBondContact O-N 2.91Å; V54-I387 HydrophobicContact CB-CB 4.37Å; V54-I387 HydrophobicContact CG1-CD1 4.34Å; E55-I387 CarbonylContact O-C 3.5Å; E55-I387 VanDerWaalsContact O-CA 3.26Å; E55-I387 WeakPolarHBondContact O-CA 3.36Å; I56-I387 HydrophobicContact CG1-CG2 4.33Å; L67-I387 HydrophobicContact CD1-CD1 4.25Å; L67-I387 HydrophobicContact CD1-CG2 3.99Å; L67-I387 HydrophobicContact CD2-CG2 4.16Å; F378-I387 HydrophobicContact CB-CD1 3.56Å; F378-I387 HydrophobicContact CD1-CD1 4.1Å; F378-I387 HydrophobicContact CG-CD1 3.92Å; V380-I387 HydrophobicContact CG2-CD1 3.82Å; V380-I387 HydrophobicContact CG2-CG1 3.88Å; T384-I387 HydrophobicContact CG2-CG2 3.77Å
388Q97.6Very high90.5Very high49 Ų4930.4 Ų30.423%0.22917%0.173CC..EExtended strand (participates in β ladder)trans-132.2121.9-178.317667.734.500109.3T27 K28 V54 E55 T57 R390T27-Q388 CarbonylContact O-C 3.43Å; T27-Q388 WeakPolarHBondContact O-CA 3.47Å; T27-Q388 PolarHBondContact OG1-NE2 2.98Å; K28-Q388 VanDerWaalsContact CG-OE1 3.27Å; V54-Q388 CarbonylContact C-O 3.54Å; V54-Q388 WeakPolarHBondContact CA-O 3.21Å; E55-Q388 PolarHBondContact N-O 2.88Å; E55-Q388 PolarHBondContact O-N 3.48Å; T57-Q388 HydrophobicContact CG2-CB 3.5Å; T57-Q388 VanDerWaalsContact CG2-CB 3.5Å; T57-Q388 HydrophobicContact CG2-CG 4.42Å; Q388-R390 PolarHBondContact O-N 2.58Å
389L97.1Very high88.9Confident11 Ų1136.9 Ų36.96%0.05820%0.203CC..EExtended strand (participates in β ladder)trans-60.7130.6170.7-75.2160.3000109.8T9 F11 T27 V52 A53 V54 F378T9-L389 HydrophobicContact CG2-CD1 4.42Å; T9-L389 HydrophobicContact CG2-CD2 4.22Å; T9-L389 WeakPolarHBondContact O-CD1 3.14Å; F11-L389 HydrophobicContact CD1-CD1 3.9Å; F11-L389 HydrophobicContact CD2-CD1 3.76Å; F11-L389 HydrophobicContact CD2-CG 4.43Å; F11-L389 HydrophobicContact CE1-CD1 3.79Å; F11-L389 HydrophobicContact CE1-CD2 4.39Å; F11-L389 HydrophobicContact CE1-CG 4.01Å; F11-L389 HydrophobicContact CE2-CD1 3.66Å; F11-L389 HydrophobicContact CE2-CG 3.82Å; F11-L389 HydrophobicContact CG-CD1 3.88Å; F11-L389 HydrophobicContact CZ-CD1 3.67Å; F11-L389 HydrophobicContact CZ-CD2 4.3Å; F11-L389 HydrophobicContact CZ-CG 3.58Å; T27-L389 PolarHBondContact O-N 3.07Å; V52-L389 HydrophobicContact CG1-CD2 3.78Å; A53-L389 WeakPolarHBondContact O-CA 3.15Å; V54-L389 HydrophobicContact CG1-CD2 3.69Å; V54-L389 HydrophobicContact CG1-CG 4.14Å; F378-L389 HydrophobicContact CZ-CD2 4.49Å
390R93.2Very high87.5Confident54 Ų5438.4 Ų38.420%0.20421%0.211CC..EExtended strand (participates in β ladder)trans-90130171.3-63.6-158.375.4170.910.8109.3A53 E55 Q204 V206 N208 Q388 L392A53-R390 HydrophobicContact CB-CB 4.19Å; A53-R390 PolarHBondContact O-N 3.02Å; E55-R390 HydrophobicContact CB-CG 4.3Å; Q204-R390 PolarHBondContact O-NH1 2.95Å; V206-R390 PolarHBondContact O-NH1 2.82Å; N208-R390 PolarHBondContact OD1-NH2 2.83Å; Q388-R390 PolarHBondContact O-N 2.58Å; R390-L392 HydrophobicContact CB-CD2 4.22Å; R390-L392 PolarHBondContact O-N 2.98Å
391S91.1Very high86.4Confident83 Ų8341 Ų4158%0.5823%0.229SC*.PPolyproline II helixtrans-68.3121.1163.6176.70000108.3
392L89.7Confident85.4Confident3 Ų349.1 Ų49.12%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-111.4139.8-177.5-65.9-176.9000111.4Y4 V51 A53 V200 Q204 L205 R390 Q394Y4-L392 PolarHBondContact OH-O 2.72Å; V51-L392 HydrophobicContact CB-CD1 4.02Å; V51-L392 HydrophobicContact CG1-CD1 3.6Å; A53-L392 HydrophobicContact CB-CD1 3.69Å; A53-L392 HydrophobicContact CB-CD2 4.07Å; A53-L392 HydrophobicContact CB-CG 4.08Å; V200-L392 HydrophobicContact CG1-CD1 4.37Å; V200-L392 HydrophobicContact CG1-CD2 4.26Å; Q204-L392 HydrophobicContact CB-CD2 3.91Å; L205-L392 HydrophobicContact CD2-CD1 4.14Å; L205-L392 HydrophobicContact CD2-CD2 4.05Å; R390-L392 HydrophobicContact CB-CD2 4.22Å; R390-L392 PolarHBondContact O-N 2.98Å; L392-Q394 PolarHBondContact O-N 3.1Å
393Q84.2Confident84.5Confident90 Ų9056.1 Ų56.142%0.42130%0.296SS..EExtended strand (participates in β ladder)trans-90.884.9172.6-53.2-161.1-33.700111.3Y4 P201 N395Y4-Q393 HydrophobicContact CD2-CB 4.39Å; Y4-Q393 HydrophobicContact CE2-CB 3.55Å; Y4-Q393 HydrophobicContact CE2-CG 3.49Å; Y4-Q393 VanDerWaalsContact CE2-CG 3.49Å; P201-Q393 WeakPolarHBondContact CD-O 3.34Å; Q393-N395 PolarHBondContact O-N 3.14Å
394Q86.4Confident83.7Confident2 Ų256.7 Ų56.71%0.00931%0.305CS..EExtended strand (participates in β ladder)trans-89.193.8175.1-164.7165.59.400110.6I7 G49 V51 T195 R199 V200 L392I7-Q394 HydrophobicContact CD1-CB 3.55Å; I7-Q394 HydrophobicContact CD1-CG 4.31Å; G49-Q394 PolarHBondContact O-NE2 3.43Å; V51-Q394 VanDerWaalsContact N-OE1 3.11Å; T195-Q394 PolarHBondContact OG1-NE2 3.23Å; R199-Q394 WeakPolarHBondContact O-CA 3.49Å; V200-Q394 HydrophobicContact CG2-CB 3.9Å; V200-Q394 HydrophobicContact CG2-CG 3.78Å; L392-Q394 PolarHBondContact O-N 3.1Å
395N78.7Confident82.9Confident30 Ų3056.8 Ų56.816%0.1631%0.306CS..EExtended strand (participates in β ladder)trans-75.7128.5-179.6-68.2-65.3000110.3S2 G198 R199 Q393 I397S2-N395 PolarHBondContact OG-OD1 2.82Å; G198-N395 CarbonylContact C-O 3.52Å; G198-N395 WeakPolarHBondContact CA-O 3.5Å; R199-N395 HydrophobicContact CG-CB 4.25Å; R199-N395 PolarHBondContact N-O 2.96Å; R199-N395 PolarHBondContact O-N 3.4Å; Q393-N395 PolarHBondContact O-N 3.14Å; N395-I397 PolarHBondContact O-N 3.32Å
396S73.1Confident82.1Confident55 Ų5559.3 Ų59.339%0.38533%0.325SS..  trans-57.5137.917160.60000109.9
397I66.3Low81.3Confident61 Ų6162.2 Ų62.231%0.31335%0.349SS..  trans-108.8133.3173.7-56.8173.6000106.4R199 N395 Q399 P474R199-I397 HydrophobicContact CB-CD1 3.72Å; R199-I397 HydrophobicContact CB-CG1 4.24Å; R199-I397 HydrophobicContact CG-CD1 3.96Å; R199-I397 HydrophobicContact CG-CG1 3.96Å; N395-I397 PolarHBondContact O-N 3.32Å; I397-Q399 PolarHBondContact O-N 2.99Å; I397-Q399 VanDerWaalsContact O-N 3.08Å; I397-P474 HydrophobicContact CD1-CG 4.48Å
398A64.5Low80.5Confident98 Ų9864.5 Ų64.581%0.8136%0.361SS*.PPolyproline II helixtrans-58.8116.6168.800000108.3
399Q66Low79.9Confident139 Ų13962.7 Ų62.765%0.6535%0.352SS*.PPolyproline II helixtrans-59.2150.8175.1-70.4-176.6-11.900109.7I397 S401 E477I397-Q399 PolarHBondContact O-N 2.99Å; I397-Q399 VanDerWaalsContact O-N 3.08Å; Q399-S401 PolarHBondContact O-N 3.17Å; Q399-S401 VanDerWaalsContact O-N 3.11Å; Q399-E477 WeakPolarHBondContact CA-OE1 3.43Å
400L68Low79.2Confident31 Ų3168.8 Ų68.816%0.16238%0.381CS..PPolyproline II helixtrans-61.4120.8173.5-162.573.8000107.9C404 S405 I408 L473 E477 R480 L481L400-C404 HydrophobicContact CD1-CB 3.74Å; L400-C404 HydrophobicContact CG-CB 3.84Å; L400-S405 VanDerWaalsContact CD2-OG 3.28Å; L400-S405 WeakPolarHBondContact CD2-OG 3.39Å; L400-I408 HydrophobicContact CD1-CD1 3.88Å; L400-I408 HydrophobicContact CD2-CD1 3.67Å; L400-I408 HydrophobicContact CG-CD1 4.34Å; L400-L473 HydrophobicContact CD1-CD2 4.49Å; L400-L473 HydrophobicContact CD2-CD1 4.3Å; L400-E477 WeakPolarHBondContact CB-OE2 3.23Å; L400-E477 PolarHBondContact N-OE1 2.79Å; L400-R480 PolarHBondContact O-NH1 3.44Å; L400-L481 HydrophobicContact CD2-CD1 4.06Å; L400-L481 HydrophobicContact CD2-CD2 4.05Å; L400-L481 HydrophobicContact CD2-CG 4.28Å
401S75Confident78.6Confident54 Ų5471.8 Ų71.838%0.37840%0.396SS..PPolyproline II helixtrans-60.6154.5177.677.80000109.6Q399 L403 C404 S405Q399-S401 PolarHBondContact O-N 3.17Å; Q399-S401 VanDerWaalsContact O-N 3.11Å; S401-L403 PolarHBondContact O-N 2.84Å; S401-C404 PolarHBondContact O-N 2.96Å; S401-C404 VanDerWaalsContact O-N 3.17Å; S401-C404 WeakPolarHBondContact OG-CB 3.49Å; S401-C404 PolarHBondContact OG-N 3.21Å; S401-C404 PolarHBondContact OG-SG 2.87Å; S401-S405 WeakPolarHBondContact O-CB 3.38Å; S401-S405 PolarHBondContact O-N 3.22Å; S401-S405 PolarHBondContact O-OG 3.5Å
402R75.9Confident78.2Confident203 Ų20368.1 Ų68.177%0.76637%0.371SS*.Hα-helixtrans-58.3-38.1176.5-168.9170.9-177.9161.2-1.3111.2S405 C406R402-S405 WeakPolarHBondContact O-CB 3.41Å; R402-S405 PolarHBondContact O-N 2.78Å; R402-C406 WeakPolarHBondContact O-CB 3.38Å; R402-C406 PolarHBondContact O-N 2.95Å; R402-C406 PolarHBondContact O-SG 3Å
403L77.3Confident77.8Confident147 Ų14769.4 Ų69.477%0.7738%0.376SS*.Hα-helixtrans-62.4-46.8174.9-71.4167.3000112.4S401 S405 C406 A407S401-L403 PolarHBondContact O-N 2.84Å; L403-S405 VanDerWaalsContact C-N 3.32Å; L403-S405 PolarHBondContact O-N 3.32Å; L403-C406 PolarHBondContact O-N 3.28Å; L403-A407 WeakPolarHBondContact O-CB 3.33Å; L403-A407 PolarHBondContact O-N 3.01Å
404C80.4Confident77.6Confident63 Ų6372.2 Ų72.243%0.42638%0.384SS..Hα-helixtrans-63.6-40.2175.8-71.10000111.5L400 S401 A407 I408L400-C404 HydrophobicContact CD1-CB 3.74Å; L400-C404 HydrophobicContact CG-CB 3.84Å; S401-C404 PolarHBondContact O-N 2.96Å; S401-C404 VanDerWaalsContact O-N 3.17Å; S401-C404 WeakPolarHBondContact OG-CB 3.49Å; S401-C404 PolarHBondContact OG-N 3.21Å; S401-C404 PolarHBondContact OG-SG 2.87Å; C404-A407 PolarHBondContact O-N 3.11Å; C404-I408 WeakPolarHBondContact O-CB 3.3Å; C404-I408 WeakPolarHBondContact O-CD1 3.5Å; C404-I408 VanDerWaalsContact O-CG1 3.31Å; C404-I408 WeakPolarHBondContact O-CG1 3.25Å; C404-I408 PolarHBondContact O-N 3.34Å
405S80.6Confident77Confident1 Ų174.5 Ų74.51%0.00740%0.395CS..Hα-helixtrans-60.6-49.7175.9-51.90000110.9L400 S401 R402 L403 A407 I408 L409L400-S405 VanDerWaalsContact CD2-OG 3.28Å; L400-S405 WeakPolarHBondContact CD2-OG 3.39Å; S401-S405 WeakPolarHBondContact O-CB 3.38Å; S401-S405 PolarHBondContact O-N 3.22Å; S401-S405 PolarHBondContact O-OG 3.5Å; R402-S405 WeakPolarHBondContact O-CB 3.41Å; R402-S405 PolarHBondContact O-N 2.78Å; L403-S405 VanDerWaalsContact C-N 3.32Å; L403-S405 PolarHBondContact O-N 3.32Å; S405-A407 PolarHBondContact O-N 3.01Å; S405-I408 PolarHBondContact O-N 3.34Å; S405-L409 WeakPolarHBondContact O-CB 3.42Å; S405-L409 WeakPolarHBondContact O-CG 3.32Å; S405-L409 PolarHBondContact O-N 3.13Å
406C81.3Confident76.6Confident72 Ų7273.8 Ų73.849%0.48639%0.391SS..Hα-helixtrans-59.6-43.8175.4-71.80000112.1R402 L403 L409 H410R402-C406 WeakPolarHBondContact O-CB 3.38Å; R402-C406 PolarHBondContact O-N 2.95Å; R402-C406 PolarHBondContact O-SG 3Å; L403-C406 PolarHBondContact O-N 3.28Å; C406-L409 PolarHBondContact O-N 2.93Å; C406-H410 WeakPolarHBondContact O-CB 3.36Å; C406-H410 PolarHBondContact O-N 3.33Å
407A82.3Confident76.4Confident61 Ų6177 Ų7750%0.50440%0.4SS..Hα-helixtrans-64.4-42.7178.600000112.3L403 C404 S405 H410 H411L403-A407 WeakPolarHBondContact O-CB 3.33Å; L403-A407 PolarHBondContact O-N 3.01Å; C404-A407 PolarHBondContact O-N 3.11Å; S405-A407 PolarHBondContact O-N 3.01Å; A407-H410 PolarHBondContact O-N 2.94Å; A407-H411 WeakPolarHBondContact O-CB 3.27Å; A407-H411 PolarHBondContact O-N 2.74Å
408I82.8Confident76.2Confident47 Ų4777.3 Ų77.324%0.24141%0.408CS..Hα-helixtrans-61.6-49.8175.3-74.4161.1000110.1L400 C404 S405 H410 H411 I412 L471 L473 L481L400-I408 HydrophobicContact CD1-CD1 3.88Å; L400-I408 HydrophobicContact CD2-CD1 3.67Å; L400-I408 HydrophobicContact CG-CD1 4.34Å; C404-I408 WeakPolarHBondContact O-CB 3.3Å; C404-I408 WeakPolarHBondContact O-CD1 3.5Å; C404-I408 VanDerWaalsContact O-CG1 3.31Å; C404-I408 WeakPolarHBondContact O-CG1 3.25Å; C404-I408 PolarHBondContact O-N 3.34Å; S405-I408 PolarHBondContact O-N 3.34Å; I408-H410 PolarHBondContact O-N 3.2Å; I408-H411 PolarHBondContact O-N 3.18Å; I408-I412 HydrophobicContact CG2-CD1 3.7Å; I408-I412 HydrophobicContact CG2-CG1 4.46Å; I408-I412 WeakPolarHBondContact O-CB 3.44Å; I408-I412 VanDerWaalsContact O-CG1 3.27Å; I408-I412 WeakPolarHBondContact O-CG1 3.44Å; I408-I412 PolarHBondContact O-N 2.7Å; I408-L471 HydrophobicContact CG2-CD1 4.07Å; I408-L473 HydrophobicContact CD1-CD1 4.49Å; I408-L481 HydrophobicContact CG2-CD1 4.02Å; I408-L481 HydrophobicContact CG2-CD2 4.48Å
409L84Confident76Confident11 Ų1177.6 Ų77.66%0.05840%0.396CS..Hα-helixtrans-61.8-44.8178.6-70.9-178.4000111.8S405 C406 H411 I412 F413 L468 L481 D484 A485S405-L409 WeakPolarHBondContact O-CB 3.42Å; S405-L409 WeakPolarHBondContact O-CG 3.32Å; S405-L409 PolarHBondContact O-N 3.13Å; C406-L409 PolarHBondContact O-N 2.93Å; L409-H411 VanDerWaalsContact C-N 3.31Å; L409-H411 PolarHBondContact O-N 3.09Å; L409-I412 PolarHBondContact O-N 3.47Å; L409-F413 HydrophobicContact CB-CD2 4.21Å; L409-F413 HydrophobicContact CB-CE2 4.1Å; L409-F413 WeakPolarHBondContact O-CB 3.5Å; L409-F413 WeakPolarHBondContact O-CD2 3.48Å; L409-F413 WeakPolarHBondContact O-CG 3.31Å; L409-F413 PolarHBondContact O-N 3.29Å; L409-L468 HydrophobicContact CD2-CD2 4.02Å; L409-L481 HydrophobicContact CD1-CD2 4.28Å; L409-L481 HydrophobicContact CD2-CB 4.27Å; L409-L481 HydrophobicContact CD2-CD2 4.06Å; L409-L481 HydrophobicContact CG-CD2 3.85Å; L409-D484 HydrophobicContact CD1-CB 3.64Å; L409-A485 HydrophobicContact CD2-CB 3.75Å
410H82.4Confident75.5Confident140 Ų14072.2 Ų72.265%0.64838%0.377SS*.Hα-helixtrans-59.3-42.9177.6-173.6-87.8000111.5C406 A407 I408 Y414C406-H410 WeakPolarHBondContact O-CB 3.36Å; C406-H410 PolarHBondContact O-N 3.33Å; A407-H410 PolarHBondContact O-N 2.94Å; I408-H410 PolarHBondContact O-N 3.2Å; H410-Y414 VanDerWaalsContact O-CB 3.28Å; H410-Y414 WeakPolarHBondContact O-CB 3.4Å; H410-Y414 PolarHBondContact O-N 3.13Å
411H81.1Confident74.6Confident116 Ų11674.3 Ų74.354%0.53739%0.385SS..Hα-helixtrans-66.4-41176.4-168.366.3000112.4A407 I408 L409 Y414 I415A407-H411 WeakPolarHBondContact O-CB 3.27Å; A407-H411 PolarHBondContact O-N 2.74Å; I408-H411 PolarHBondContact O-N 3.18Å; L409-H411 VanDerWaalsContact C-N 3.31Å; L409-H411 PolarHBondContact O-N 3.09Å; H411-Y414 PolarHBondContact O-N 2.85Å; H411-I415 WeakPolarHBondContact NE2-CD1 3.39Å; H411-I415 WeakPolarHBondContact O-CG1 3.22Å; H411-I415 PolarHBondContact O-N 2.73Å
412I82.4Confident73.2Confident7 Ų773.9 Ų73.94%0.03638%0.378CS..Hα-helixtrans-63.9-48.1176.4-70.3172.3000110.5I408 L409 Y414 I415 F416 L464 M467 L468 L471I408-I412 HydrophobicContact CG2-CD1 3.7Å; I408-I412 HydrophobicContact CG2-CG1 4.46Å; I408-I412 WeakPolarHBondContact O-CB 3.44Å; I408-I412 VanDerWaalsContact O-CG1 3.27Å; I408-I412 WeakPolarHBondContact O-CG1 3.44Å; I408-I412 PolarHBondContact O-N 2.7Å; L409-I412 PolarHBondContact O-N 3.47Å; I412-Y414 VanDerWaalsContact C-N 3.32Å; I412-Y414 PolarHBondContact O-N 3.03Å; I412-I415 PolarHBondContact O-N 2.9Å; I412-F416 WeakPolarHBondContact O-CB 3.2Å; I412-F416 PolarHBondContact O-N 2.9Å; I412-L464 HydrophobicContact CG2-CD1 3.42Å; I412-L464 VanDerWaalsContact CG2-CD1 3.42Å; I412-M467 HydrophobicContact CG1-CE 4.34Å; I412-M467 HydrophobicContact CG2-CE 4.48Å; I412-M467 HydrophobicContact CG2-SD 3.96Å; I412-L468 HydrophobicContact CD1-CD2 3.46Å; I412-L468 VanDerWaalsContact CD1-CD2 3.46Å; I412-L471 HydrophobicContact CD1-CD1 3.87Å; I412-L471 HydrophobicContact CD1-CD2 4.05Å; I412-L471 HydrophobicContact CD1-CG 4.38Å
413F82Confident71.6Confident30 Ų3071 Ų7113%0.13238%0.378CS..Hα-helixtrans-60.5-41.2175.7-74.8-56.6000111.5L409 F416 H417 L464 A485 V488 L489L409-F413 HydrophobicContact CB-CD2 4.21Å; L409-F413 HydrophobicContact CB-CE2 4.1Å; L409-F413 WeakPolarHBondContact O-CB 3.5Å; L409-F413 WeakPolarHBondContact O-CD2 3.48Å; L409-F413 WeakPolarHBondContact O-CG 3.31Å; L409-F413 PolarHBondContact O-N 3.29Å; F413-F416 CarbonylContact O-C 3.59Å; F413-F416 WeakPolarHBondContact O-CB 3.5Å; F413-F416 PolarHBondContact O-N 2.88Å; F413-F416 VanDerWaalsContact O-N 3.16Å; F413-H417 WeakPolarHBondContact O-CB 3.23Å; F413-H417 PolarHBondContact O-CD2 2.79Å; F413-H417 VanDerWaalsContact O-CD2 3.25Å; F413-H417 PolarHBondContact O-N 3.23Å; F413-L464 HydrophobicContact CE1-CD2 3.83Å; F413-L464 HydrophobicContact CZ-CD2 4.35Å; F413-A485 HydrophobicContact CZ-CB 3.98Å; F413-V488 HydrophobicContact CE2-CB 4.16Å; F413-V488 HydrophobicContact CE2-CG1 3.89Å; F413-V488 HydrophobicContact CZ-CB 4.16Å; F413-V488 HydrophobicContact CZ-CG1 4.03Å; F413-L489 HydrophobicContact CD1-CD2 4.49Å; F413-L489 HydrophobicContact CE1-CD1 4.21Å; F413-L489 HydrophobicContact CE1-CD2 3.72Å; F413-L489 HydrophobicContact CE1-CG 3.76Å; F413-L489 HydrophobicContact CZ-CD2 4.42Å; F413-L489 HydrophobicContact CZ-CG 4.11Å
414Y78.9Confident69.8Low148 Ų14868.4 Ų68.458%0.5837%0.369SS*.Hα-helixtrans-60.5-45.5174.8177.8-94.7000112.6H410 H411 I412 F416 H417 S418H410-Y414 VanDerWaalsContact O-CB 3.28Å; H410-Y414 WeakPolarHBondContact O-CB 3.4Å; H410-Y414 PolarHBondContact O-N 3.13Å; H411-Y414 PolarHBondContact O-N 2.85Å; I412-Y414 VanDerWaalsContact C-N 3.32Å; I412-Y414 PolarHBondContact O-N 3.03Å; Y414-F416 VanDerWaalsContact C-N 3.29Å; Y414-F416 PolarHBondContact O-N 2.77Å; Y414-H417 PolarHBondContact O-N 2.76Å; Y414-S418 WeakPolarHBondContact CE1-OG 3.49Å; Y414-S418 VanDerWaalsContact O-CB 3.28Å; Y414-S418 WeakPolarHBondContact O-CB 3.28Å; Y414-S418 PolarHBondContact O-N 2.93Å; Y414-S418 PolarHBondContact O-OG 2.91Å
415I74.9Confident67.7Low50 Ų5070.8 Ų70.826%0.25637%0.374SS..Hα-helixtrans-62.1-40.8174.1-69.3167.6000110.3H411 I412 S418 N419 M467H411-I415 WeakPolarHBondContact NE2-CD1 3.39Å; H411-I415 WeakPolarHBondContact O-CG1 3.22Å; H411-I415 PolarHBondContact O-N 2.73Å; I412-I415 PolarHBondContact O-N 2.9Å; I415-S418 PolarHBondContact O-N 3.35Å; I415-N419 WeakPolarHBondContact CG2-ND2 3.25Å; I415-N419 WeakPolarHBondContact O-CB 3.36Å; I415-N419 PolarHBondContact O-N 2.99Å; I415-N419 PolarHBondContact O-ND2 3.21Å; I415-M467 HydrophobicContact CD1-CE 4.21Å; I415-M467 HydrophobicContact CG2-CE 4.17Å
416F70.1Confident65.6Low15 Ų1577 Ų777%0.06641%0.411CS..Hα-helixtrans-64-41.2179.6-144.5-98.2000112.1I412 F413 Y414 F421 L422 R460 K463 L464I412-F416 WeakPolarHBondContact O-CB 3.2Å; I412-F416 PolarHBondContact O-N 2.9Å; F413-F416 CarbonylContact O-C 3.59Å; F413-F416 WeakPolarHBondContact O-CB 3.5Å; F413-F416 PolarHBondContact O-N 2.88Å; F413-F416 VanDerWaalsContact O-N 3.16Å; Y414-F416 VanDerWaalsContact C-N 3.29Å; Y414-F416 PolarHBondContact O-N 2.77Å; F416-F421 HydrophobicContact CD1-CB 4.14Å; F416-F421 HydrophobicContact CE1-CB 3.97Å; F416-F421 HydrophobicContact CZ-CB 4.25Å; F416-L422 HydrophobicContact CD1-CG 4.45Å; F416-R460 HydrophobicContact CE1-CB 4.16Å; F416-R460 WeakPolarHBondContact CZ-O 3.5Å; F416-K463 HydrophobicContact CE2-CB 3.87Å; F416-K463 HydrophobicContact CZ-CB 3.81Å; F416-L464 HydrophobicContact CD2-CD1 4.46Å; F416-L464 HydrophobicContact CE2-CB 4.01Å; F416-L464 HydrophobicContact CZ-CB 4.14Å
417H68.7Low63.3Low122 Ų12277.6 Ų77.657%0.56542%0.417SS*.Hα-helixtrans-67.2-48.6172.1-86.2-81.8000112.3F413 Y414 N419 G420 L422F413-H417 WeakPolarHBondContact O-CB 3.23Å; F413-H417 PolarHBondContact O-CD2 2.79Å; F413-H417 VanDerWaalsContact O-CD2 3.25Å; F413-H417 PolarHBondContact O-N 3.23Å; Y414-H417 PolarHBondContact O-N 2.76Å; H417-N419 VanDerWaalsContact C-N 3.32Å; H417-N419 PolarHBondContact O-N 2.91Å; H417-G420 PolarHBondContact O-N 2.94Å; H417-G420 VanDerWaalsContact O-N 3.13Å; H417-L422 HydrophobicContact CB-CD1 4.29Å; H417-L422 WeakPolarHBondContact CE1-CD1 3.26Å; H417-L422 VanDerWaalsContact CG-CD1 3.4Å; H417-L422 WeakPolarHBondContact ND1-CD1 3.19Å; H417-L422 WeakPolarHBondContact NE2-CD1 3.43Å
418S62.1Low60.6Low69 Ų6981.1 Ų81.148%0.48343%0.427SS..Hα-helixtrans-66.7-31.5-172.7-58.60000113.2Y414 I415 G420Y414-S418 WeakPolarHBondContact CE1-OG 3.49Å; Y414-S418 VanDerWaalsContact O-CB 3.28Å; Y414-S418 WeakPolarHBondContact O-CB 3.28Å; Y414-S418 PolarHBondContact O-N 2.93Å; Y414-S418 PolarHBondContact O-OG 2.91Å; I415-S418 PolarHBondContact O-N 3.35Å; S418-G420 PolarHBondContact O-N 2.96Å
419N60.4Low58Low104 Ų10489.2 Ų89.256%0.55646%0.461SS*.THydrogen-bonded Turntrans-79.58.2177.1-75.5-25.2000113.7I415 H417 F421I415-N419 WeakPolarHBondContact CG2-ND2 3.25Å; I415-N419 WeakPolarHBondContact O-CB 3.36Å; I415-N419 PolarHBondContact O-N 2.99Å; I415-N419 PolarHBondContact O-ND2 3.21Å; H417-N419 VanDerWaalsContact C-N 3.32Å; H417-N419 PolarHBondContact O-N 2.91Å; N419-F421 HydrophobicContact CB-CD2 3.4Å; N419-F421 HydrophobicContact CB-CE2 3.39Å; N419-F421 HydrophobicContact CB-CG 4.47Å; N419-F421 HydrophobicContact CB-CZ 4.47Å; N419-F421 PolarHBondContact O-N 3.12Å; N419-F421 VanDerWaalsContact O-N 3.14Å
420G55.4Low55.3Low26 Ų2694.2 Ų94.227%0.26849%0.488SS..THydrogen-bonded Turntrans67.313.117800000114.4H417 S418 L422 N423H417-G420 PolarHBondContact O-N 2.94Å; H417-G420 VanDerWaalsContact O-N 3.13Å; S418-G420 PolarHBondContact O-N 2.96Å; G420-L422 PolarHBondContact O-N 3.32Å; G420-L422 VanDerWaalsContact O-N 3.13Å; G420-N423 PolarHBondContact O-N 2.8Å
421F48.6Very low52.7Low74 Ų7492.2 Ų92.233%0.32549%0.49SS..THydrogen-bonded Turntrans-65.5-12.5176.4-71.9-66.4000113.2F416 N419 K463F416-F421 HydrophobicContact CD1-CB 4.14Å; F416-F421 HydrophobicContact CE1-CB 3.97Å; F416-F421 HydrophobicContact CZ-CB 4.25Å; N419-F421 HydrophobicContact CB-CD2 3.4Å; N419-F421 HydrophobicContact CB-CE2 3.39Å; N419-F421 HydrophobicContact CB-CG 4.47Å; N419-F421 HydrophobicContact CB-CZ 4.47Å; N419-F421 PolarHBondContact O-N 3.12Å; N419-F421 VanDerWaalsContact O-N 3.14Å; F421-K463 HydrophobicContact CD1-CD 3.83Å; F421-K463 HydrophobicContact CE1-CD 3.93Å
422L46.6Very low50Low45 Ų4594.1 Ų94.124%0.23650%0.504CS..THydrogen-bonded Turntrans-94.6-10.8172.6-75.5165.2000114.2F416 H417 G420 R460F416-L422 HydrophobicContact CD1-CG 4.45Å; H417-L422 HydrophobicContact CB-CD1 4.29Å; H417-L422 WeakPolarHBondContact CE1-CD1 3.26Å; H417-L422 VanDerWaalsContact CG-CD1 3.4Å; H417-L422 WeakPolarHBondContact ND1-CD1 3.19Å; H417-L422 WeakPolarHBondContact NE2-CD1 3.43Å; G420-L422 PolarHBondContact O-N 3.32Å; G420-L422 VanDerWaalsContact O-N 3.13Å; L422-R460 PolarHBondContact O-NH2 3.28Å; L422-R460 VanDerWaalsContact O-NH2 3.13Å
423N42.6Very low47.5Very low143 Ų143101.3 Ų101.377%0.76554%0.542SS*.SBendtrans-99.33.6-176.5-72-0.9000113.9G420G420-N423 PolarHBondContact O-N 2.8Å
424T38Very low44.7Very low93 Ų93104.7 Ų104.757%0.57157%0.57SS**SBendtrans-118.9137.8172.242.50000109.6R460T424-R460 PolarHBondContact O-NH2 3.03Å
425E36.7Very low42.2Very low113 Ų113102 Ų10253%0.52857%0.573SS.*  trans7757.6-169.4-55.8-179.8-163.900115.6N459 R460E425-N459 PolarHBondContact OE1-ND2 3.35Å; E425-R460 PolarHBondContact O-NH2 2.76Å
426T35.9Very low39.8Very low130 Ų130106.5 Ų106.580%0.79860%0.597SS**SBendtrans-107.670.5135.253.10000107.9
427S33Very low37.7Very low86 Ų86113 Ų11360%0.60163%0.631SS**SBendtrans-177.4141.9165.125.70000106.6
428N27Very low35.4Very low135 Ų135112.4 Ų112.472%0.72264%0.639SS**  trans91.627.6-172.7-50-3.9000116.7
429F28.3Very low33.6Very low216 Ų216113.9 Ų113.995%0.94765%0.649SS**  -96.259.8127.6-85.9-81.6000107.9S431F429-S431 VanDerWaalsContact C-N 3.33Å; F429-S431 PolarHBondContact O-N 2.94Å; F429-S431 VanDerWaalsContact O-N 3.1Å
430D26.1Very low31.9Very low116 Ų116118.3 Ų118.362%0.6266%0.664SS**  trans-76.495.1165.2-86.5-36.8000107.8D432D430-D432 PolarHBondContact O-N 2.99Å
431S27.7Very low30.4Very low99 Ų99122.9 Ų122.969%0.69269%0.692SS**  43.329108.468.50000119.4F429 N433F429-S431 VanDerWaalsContact C-N 3.33Å; F429-S431 PolarHBondContact O-N 2.94Å; F429-S431 VanDerWaalsContact O-N 3.1Å; S431-N433 PolarHBondContact O-N 3.08Å
432D25Very low29.3Very low156 Ų156124.4 Ų124.483%0.83471%0.712SS**  trans-93.470.2159-84.9-17.9000110.6D430D430-D432 PolarHBondContact O-N 2.99Å
433N28.7Very low28.2Very low158 Ų158132.4 Ų132.485%0.84574%0.739SS**SBendtrans-157.1110.9142.6-100-28.9000109.8S431S431-N433 PolarHBondContact O-N 3.08Å
434S25.1Very low27.5Very low101 Ų101134.7 Ų134.771%0.70675%0.747SS**  trans-44.9137.4178.455.50000115.1
435S24.9Very low26.9Very low92 Ų92139.4 Ų139.464%0.64376%0.755SS**  trans40.3109.8138.463.60000118.1
436N25.5Very low26.5Very low144 Ų144141.3 Ų141.377%0.7777%0.768SS**  178.6131113.7-92.2-29.6000113.6
437I26Very low26.1Very low150 Ų150140 Ų14077%0.76976%0.764SS**  trans72.791.2143.1-54.7164.9000117.8
438C20.4Very low26.2Very low110 Ų110140.5 Ų140.574%0.74377%0.768SS**  21.6133.7118.4-1520000119.9
439S24.1Very low26.4Very low100 Ų100138.5 Ų138.570%0.69975%0.754SS**  trans98.6122145.3-62.50000120.4
440K23.5Very low26.3Very low197 Ų197135.1 Ų135.186%0.85774%0.743SS**  trans85.2104.4149.2-67.7174.1-178.7177.80119.1
441S25.2Very low27Very low123 Ų123132.8 Ų132.886%0.8673%0.73SS**  26.2102.4123.8-173.70000117.4
442S25.5Very low27.6Very low106 Ų106131.7 Ų131.774%0.74172%0.719SS**  trans-172.4119.3135.855.20000110.9
443R24.1Very low28.1Very low212 Ų212128.2 Ų128.280%0.871%0.705SS**  trans3794.6151.1-71.6176.4170.6166.1-2.7117R445R443-R445 VanDerWaalsContact C-N 3.26Å; R443-R445 PolarHBondContact O-N 3.35Å
444M27Very low28.9Very low191 Ų191124.4 Ų124.494%0.94169%0.685SS**  trans-68.887.6153.8-71.4-100.696.600108.6
445R24.7Very low29.9Very low193 Ų193120.6 Ų120.673%0.72866%0.656SS**  trans-103134.1156.2-86.3-175.2-175.6174.3-1107.3R443R443-R445 VanDerWaalsContact C-N 3.26Å; R443-R445 PolarHBondContact O-N 3.35Å
446N28.2Very low31.1Very low153 Ų153120 Ų12082%0.81864%0.644SS**  trans70.788.8159.3-57-3.7000116.7
447S28.3Very low32.4Very low101 Ų101120.5 Ų120.571%0.70664%0.639SS**  trans-144.556.7157.367.50000111
448S34.2Very low34.1Very low98 Ų98115.7 Ų115.769%0.68562%0.615SS**  trans-93.6-0.8178.9-550000113.9
449Q32.5Very low36.3Very low92 Ų92113.6 Ų113.643%0.4360%0.596SS.*THydrogen-bonded Turntrans-91.26.2-171.7-97.9176.2-11.400116.6S238 Y239S238-Q449 PolarHBondContact O-NE2 3.18Å; Y239-Q449 HydrophobicContact CD2-CG 4.01Å; Y239-Q449 HydrophobicContact CE2-CG 3.43Å; Y239-Q449 VanDerWaalsContact CE2-CG 3.43Å
450M26.5Very low38.3Very low146 Ų146111.6 Ų111.672%0.71957%0.574SS**THydrogen-bonded Turntrans-117.813.1176.2-66.6-144.685.300114.6N454M450-N454 VanDerWaalsContact O-CB 3.24Å; M450-N454 WeakPolarHBondContact O-CB 3.13Å
451I39.2Very low40.4Very low67 Ų67103 Ų10334%0.34454%0.536SS..Hα-helixtrans-82.4-44.4-164.6-59.8179.1000112.6M455 F486I451-M455 HydrophobicContact CG2-CE 3.72Å; I451-M455 HydrophobicContact CG2-CG 3.82Å; I451-M455 HydrophobicContact CG2-SD 3.27Å; I451-M455 WeakPolarHBondContact CG2-SD 3.18Å; I451-M455 WeakPolarHBondContact O-CB 3.46Å; I451-M455 WeakPolarHBondContact O-CG 3.36Å; I451-M455 PolarHBondContact O-N 2.75Å; I451-F486 HydrophobicContact CG2-CZ 4.34Å
452V40.9Very low42.4Very low76 Ų76101.8 Ų101.846%0.46152%0.517SS..Hα-helixtrans-70.5-51.3-168.5-1720000114.3N454 M455 M456 F486V452-N454 VanDerWaalsContact C-N 3.31Å; V452-N454 PolarHBondContact O-N 3.5Å; V452-M455 PolarHBondContact O-N 2.8Å; V452-M456 PolarHBondContact O-N 3.33Å; V452-F486 HydrophobicContact CG2-CE1 4.23Å; V452-F486 HydrophobicContact CG2-CZ 3.94Å
453P36.6Very low44.7Very low82 Ų82101.2 Ų101.253%0.53250%0.501SS..Hα-helixtrans-70.1-29.1-179.5-17.332000112.8
454N44.1Very low47.2Very low79 Ų7991.5 Ų91.542%0.42247%0.465SS..Hα-helixtrans-81.2-23.4179.5-125.38.1000111.8M450 V452 K457M450-N454 VanDerWaalsContact O-CB 3.24Å; M450-N454 WeakPolarHBondContact O-CB 3.13Å; V452-N454 VanDerWaalsContact C-N 3.31Å; V452-N454 PolarHBondContact O-N 3.5Å; N454-K457 WeakPolarHBondContact O-CB 3.3Å; N454-K457 PolarHBondContact O-N 2.89Å; N454-K457 WeakPolarHBondContact OD1-CD 3.25Å; N454-K457 WeakPolarHBondContact OD1-CE 3.24Å; N454-K457 PolarHBondContact OD1-NZ 3.36Å
455M46.9Very low49.3Very low20 Ų2085 Ų8510%0.09943%0.431CS..Hα-helixtrans-76.1-33175-83.1-167.9153.900114.3I451 V452 K457 N458 F461 F486 I493I451-M455 HydrophobicContact CG2-CE 3.72Å; I451-M455 HydrophobicContact CG2-CG 3.82Å; I451-M455 HydrophobicContact CG2-SD 3.27Å; I451-M455 WeakPolarHBondContact CG2-SD 3.18Å; I451-M455 WeakPolarHBondContact O-CB 3.46Å; I451-M455 WeakPolarHBondContact O-CG 3.36Å; I451-M455 PolarHBondContact O-N 2.75Å; V452-M455 PolarHBondContact O-N 2.8Å; M455-K457 PolarHBondContact O-N 2.76Å; M455-N458 WeakPolarHBondContact O-CA 3.48Å; M455-N458 VanDerWaalsContact O-CB 3.27Å; M455-N458 WeakPolarHBondContact O-CB 3.3Å; M455-N458 PolarHBondContact O-N 2.92Å; M455-F461 HydrophobicContact CB-CD1 4.45Å; M455-F461 HydrophobicContact CB-CD2 4.08Å; M455-F461 HydrophobicContact CB-CE2 4.22Å; M455-F461 HydrophobicContact CB-CG 4.19Å; M455-F461 HydrophobicContact CB-CZ 4.47Å; M455-F461 HydrophobicContact CE-CE1 4.22Å; M455-F461 HydrophobicContact CE-CE2 3.65Å; M455-F461 HydrophobicContact CE-CZ 3.32Å; M455-F461 HydrophobicContact CG-CD2 4.28Å; M455-F461 HydrophobicContact CG-CE2 3.92Å; M455-F461 HydrophobicContact CG-CZ 4.07Å; M455-F461 WeakPolarHBondContact O-CB 3.38Å; M455-F461 HydrophobicContact SD-CD1 4.36Å; M455-F461 HydrophobicContact SD-CD2 4.48Å; M455-F461 HydrophobicContact SD-CE1 3.63Å; M455-F461 HydrophobicContact SD-CE2 3.78Å; M455-F461 HydrophobicContact SD-CZ 3.3Å; M455-F461 WeakPolarHBondContact SD-CZ 3.27Å; M455-F486 HydrophobicContact CB-CE2 4.31Å; M455-F486 HydrophobicContact SD-CE2 3.64Å; M455-F486 HydrophobicContact SD-CZ 3.78Å; M455-I493 HydrophobicContact CE-CD1 3.18Å; M455-I493 HydrophobicContact CE-CG1 4.39Å; M455-I493 HydrophobicContact CE-CG2 4.34Å
456M49.6Very low51.6Low80 Ų8079.4 Ų79.439%0.39442%0.415SS..THydrogen-bonded Turntrans-62.8-21.7171.8-81.9-82.5-173.400112.5V452 N458 F465V452-M456 PolarHBondContact O-N 3.33Å; M456-N458 PolarHBondContact O-N 2.78Å; M456-F465 HydrophobicContact CE-CD2 4.03Å; M456-F465 HydrophobicContact CE-CE2 4.15Å; M456-F465 HydrophobicContact CE-CG 4.24Å; M456-F465 HydrophobicContact CE-CZ 4.48Å
457K52.5Low53.9Low155 Ų15575 Ų7567%0.67439%0.39SS*.THydrogen-bonded Turntrans-71-21.8170.4-58.3-178.2-175.9165.60112.8N454 M455 N459N454-K457 WeakPolarHBondContact O-CB 3.3Å; N454-K457 PolarHBondContact O-N 2.89Å; N454-K457 WeakPolarHBondContact OD1-CD 3.25Å; N454-K457 WeakPolarHBondContact OD1-CE 3.24Å; N454-K457 PolarHBondContact OD1-NZ 3.36Å; M455-K457 PolarHBondContact O-N 2.76Å; K457-N459 PolarHBondContact O-N 3.33Å
458N62.2Low56.1Low49 Ų4970.3 Ų70.326%0.26236%0.357SS..SBendtrans-78.8114.2177.2178.1-20.8000108.6M455 M456 R460 F461 Q462M455-N458 WeakPolarHBondContact O-CA 3.48Å; M455-N458 VanDerWaalsContact O-CB 3.27Å; M455-N458 WeakPolarHBondContact O-CB 3.3Å; M455-N458 PolarHBondContact O-N 2.92Å; M456-N458 PolarHBondContact O-N 2.78Å; N458-R460 PolarHBondContact O-N 3.42Å; N458-R460 WeakPolarHBondContact OD1-CB 3.39Å; N458-R460 WeakPolarHBondContact OD1-CG 3.3Å; N458-R460 PolarHBondContact OD1-N 3.31Å; N458-F461 HydrophobicContact CB-CD2 3.82Å; N458-F461 HydrophobicContact CB-CE2 4.46Å; N458-F461 PolarHBondContact O-N 3.42Å; N458-Q462 PolarHBondContact O-N 2.86Å
459N66.3Low57.9Low65 Ų6569.1 Ų69.135%0.34834%0.343SS..Hα-helixtrans-47.2-29179.6-76.8-34.9000113.1E425 K457 K463E425-N459 PolarHBondContact OE1-ND2 3.35Å; K457-N459 PolarHBondContact O-N 3.33Å; N459-K463 WeakPolarHBondContact O-CB 3.41Å; N459-K463 VanDerWaalsContact O-CG 3.31Å; N459-K463 WeakPolarHBondContact O-CG 3.45Å; N459-K463 PolarHBondContact O-N 2.86Å; N459-K463 VanDerWaalsContact O-N 3.07Å
460R65.3Low59.7Low59 Ų5972.2 Ų72.222%0.22336%0.355CS..Hα-helixtrans-65.3-48.6176.6-59172.4-179.2-175.13112F416 L422 T424 E425 N458 K463 L464F416-R460 HydrophobicContact CE1-CB 4.16Å; F416-R460 WeakPolarHBondContact CZ-O 3.5Å; L422-R460 PolarHBondContact O-NH2 3.28Å; L422-R460 VanDerWaalsContact O-NH2 3.13Å; T424-R460 PolarHBondContact O-NH2 3.03Å; E425-R460 PolarHBondContact O-NH2 2.76Å; N458-R460 PolarHBondContact O-N 3.42Å; N458-R460 WeakPolarHBondContact OD1-CB 3.39Å; N458-R460 WeakPolarHBondContact OD1-CG 3.3Å; N458-R460 PolarHBondContact OD1-N 3.31Å; R460-K463 PolarHBondContact O-N 3.35Å; R460-L464 WeakPolarHBondContact O-CB 3.11Å; R460-L464 PolarHBondContact O-N 2.81Å
461F68.5Low61.8Low17 Ų1766.7 Ų66.78%0.07533%0.328CS..Hα-helixtrans-66.7-41.5179.3-74.6-88.6000111.1M455 N458 K463 L464 F465 F486 L489 I493M455-F461 HydrophobicContact CB-CD1 4.45Å; M455-F461 HydrophobicContact CB-CD2 4.08Å; M455-F461 HydrophobicContact CB-CE2 4.22Å; M455-F461 HydrophobicContact CB-CG 4.19Å; M455-F461 HydrophobicContact CB-CZ 4.47Å; M455-F461 HydrophobicContact CE-CE1 4.22Å; M455-F461 HydrophobicContact CE-CE2 3.65Å; M455-F461 HydrophobicContact CE-CZ 3.32Å; M455-F461 HydrophobicContact CG-CD2 4.28Å; M455-F461 HydrophobicContact CG-CE2 3.92Å; M455-F461 HydrophobicContact CG-CZ 4.07Å; M455-F461 WeakPolarHBondContact O-CB 3.38Å; M455-F461 HydrophobicContact SD-CD1 4.36Å; M455-F461 HydrophobicContact SD-CD2 4.48Å; M455-F461 HydrophobicContact SD-CE1 3.63Å; M455-F461 HydrophobicContact SD-CE2 3.78Å; M455-F461 HydrophobicContact SD-CZ 3.3Å; M455-F461 WeakPolarHBondContact SD-CZ 3.27Å; N458-F461 HydrophobicContact CB-CD2 3.82Å; N458-F461 HydrophobicContact CB-CE2 4.46Å; N458-F461 PolarHBondContact O-N 3.42Å; F461-K463 PolarHBondContact O-N 2.9Å; F461-L464 PolarHBondContact O-N 3.04Å; F461-F465 VanDerWaalsContact O-CB 3.22Å; F461-F465 WeakPolarHBondContact O-CB 3.36Å; F461-F465 PolarHBondContact O-N 3.11Å; F461-F486 HydrophobicContact CD1-CD2 4.09Å; F461-F486 HydrophobicContact CD1-CE2 4.24Å; F461-F486 AromaticContact CE1-CD2 3.99Å; F461-F486 HydrophobicContact CE1-CD2 3.99Å; F461-F486 HydrophobicContact CE1-CE2 4.06Å; F461-L489 HydrophobicContact CD1-CD1 3.79Å; F461-L489 HydrophobicContact CE1-CB 3.65Å; F461-L489 HydrophobicContact CE1-CD1 3.41Å; F461-L489 VanDerWaalsContact CE1-CD1 3.41Å; F461-L489 HydrophobicContact CE1-CG 4.2Å; F461-L489 HydrophobicContact CZ-CB 3.87Å; F461-L489 HydrophobicContact CZ-CD1 3.94Å; F461-I493 HydrophobicContact CE2-CD1 3.88Å; F461-I493 HydrophobicContact CZ-CD1 3.64Å
462Q68.2Low63Low96 Ų9666.3 Ų66.345%0.44933%0.33SS..Hα-helixtrans-61.5-45.6178.3-164.2-178.615.400111.7N458 F465 I466N458-Q462 PolarHBondContact O-N 2.86Å; Q462-F465 PolarHBondContact O-N 2.99Å; Q462-I466 HydrophobicContact CG-CD1 4.12Å; Q462-I466 WeakPolarHBondContact O-CB 3.35Å; Q462-I466 WeakPolarHBondContact O-CD1 2.82Å; Q462-I466 WeakPolarHBondContact O-CG1 3.48Å; Q462-I466 PolarHBondContact O-N 2.84Å
463K72.6Confident64.1Low95 Ų9564.2 Ų64.241%0.41332%0.316SS..Hα-helixtrans-63.9-44.7176.9-76.5174.8-177.3172.40112.4F416 F421 N459 R460 F461 F465 I466 M467F416-K463 HydrophobicContact CE2-CB 3.87Å; F416-K463 HydrophobicContact CZ-CB 3.81Å; F421-K463 HydrophobicContact CD1-CD 3.83Å; F421-K463 HydrophobicContact CE1-CD 3.93Å; N459-K463 WeakPolarHBondContact O-CB 3.41Å; N459-K463 VanDerWaalsContact O-CG 3.31Å; N459-K463 WeakPolarHBondContact O-CG 3.45Å; N459-K463 PolarHBondContact O-N 2.86Å; N459-K463 VanDerWaalsContact O-N 3.07Å; R460-K463 PolarHBondContact O-N 3.35Å; F461-K463 PolarHBondContact O-N 2.9Å; K463-F465 VanDerWaalsContact C-N 3.32Å; K463-I466 PolarHBondContact O-N 3.27Å; K463-M467 WeakPolarHBondContact O-CB 3.49Å; K463-M467 PolarHBondContact O-N 3.23Å
464L76.4Confident65.2Low7 Ų761.5 Ų61.54%0.03730%0.299CS..Hα-helixtrans-61.4-44.1176.5178.163.1000110.9I412 F413 F416 R460 F461 M467 L468 A485 L489I412-L464 HydrophobicContact CG2-CD1 3.42Å; I412-L464 VanDerWaalsContact CG2-CD1 3.42Å; F413-L464 HydrophobicContact CE1-CD2 3.83Å; F413-L464 HydrophobicContact CZ-CD2 4.35Å; F416-L464 HydrophobicContact CD2-CD1 4.46Å; F416-L464 HydrophobicContact CE2-CB 4.01Å; F416-L464 HydrophobicContact CZ-CB 4.14Å; R460-L464 WeakPolarHBondContact O-CB 3.11Å; R460-L464 PolarHBondContact O-N 2.81Å; F461-L464 PolarHBondContact O-N 3.04Å; L464-M467 WeakPolarHBondContact O-CB 3.14Å; L464-M467 PolarHBondContact O-N 2.99Å; L464-M467 VanDerWaalsContact O-N 3.17Å; L464-L468 HydrophobicContact CD1-CD1 4.05Å; L464-L468 HydrophobicContact CD1-CG 4.16Å; L464-L468 HydrophobicContact CD2-CD1 4.48Å; L464-L468 HydrophobicContact CG-CD1 3.87Å; L464-L468 HydrophobicContact CG-CG 4.38Å; L464-L468 WeakPolarHBondContact O-CG 3.39Å; L464-L468 PolarHBondContact O-N 2.65Å; L464-A485 HydrophobicContact CD2-CB 4.17Å; L464-L489 HydrophobicContact CD2-CD1 3.38Å; L464-L489 HydrophobicContact CD2-CG 4.34Å
465F72.5Confident66.1Low55 Ų5561 Ų6124%0.24129%0.291CS..Hα-helixtrans-62.1-45.3178.9-168.6-88000111.8D248 M456 F461 Q462 K463 M467 L468 D469 Q482D248-F465 WeakPolarHBondContact OD2-CE1 3.41Å; D248-F465 VanDerWaalsContact OD2-CZ 3.3Å; D248-F465 WeakPolarHBondContact OD2-CZ 3.23Å; M456-F465 HydrophobicContact CE-CD2 4.03Å; M456-F465 HydrophobicContact CE-CE2 4.15Å; M456-F465 HydrophobicContact CE-CG 4.24Å; M456-F465 HydrophobicContact CE-CZ 4.48Å; F461-F465 VanDerWaalsContact O-CB 3.22Å; F461-F465 WeakPolarHBondContact O-CB 3.36Å; F461-F465 PolarHBondContact O-N 3.11Å; Q462-F465 PolarHBondContact O-N 2.99Å; K463-F465 VanDerWaalsContact C-N 3.32Å; F465-M467 VanDerWaalsContact C-N 3.28Å; F465-M467 PolarHBondContact O-N 3.06Å; F465-L468 PolarHBondContact O-N 3.2Å; F465-D469 WeakPolarHBondContact O-CB 3.27Å; F465-D469 PolarHBondContact O-N 2.85Å; F465-Q482 HydrophobicContact CD2-CB 4.39Å; F465-Q482 HydrophobicContact CD2-CG 4.01Å; F465-Q482 HydrophobicContact CE2-CB 4.19Å; F465-Q482 HydrophobicContact CE2-CG 3.93Å
466I72.9Confident66.8Low75 Ų7561.3 Ų61.339%0.38529%0.294SS..Hα-helixtrans-59.3-40.1174-69.7164.7000111.1Q462 K463 K470Q462-I466 HydrophobicContact CG-CD1 4.12Å; Q462-I466 WeakPolarHBondContact O-CB 3.35Å; Q462-I466 WeakPolarHBondContact O-CD1 2.82Å; Q462-I466 WeakPolarHBondContact O-CG1 3.48Å; Q462-I466 PolarHBondContact O-N 2.84Å; K463-I466 PolarHBondContact O-N 3.27Å; I466-K470 HydrophobicContact CG2-CD 4.17Å; I466-K470 WeakPolarHBondContact O-CB 3.39Å; I466-K470 VanDerWaalsContact O-CG 3.25Å; I466-K470 WeakPolarHBondContact O-CG 3.4Å; I466-K470 PolarHBondContact O-N 3.27Å; I466-K470 VanDerWaalsContact O-N 3.08Å
467M74.9Confident67.9Low61 Ų6158.2 Ų58.230%0.328%0.279SS..Hα-helixtrans-68.1-44.7178.8-169.9176.1-178.800111.8I412 I415 K463 L464 F465 K470 L471I412-M467 HydrophobicContact CG1-CE 4.34Å; I412-M467 HydrophobicContact CG2-CE 4.48Å; I412-M467 HydrophobicContact CG2-SD 3.96Å; I415-M467 HydrophobicContact CD1-CE 4.21Å; I415-M467 HydrophobicContact CG2-CE 4.17Å; K463-M467 WeakPolarHBondContact O-CB 3.49Å; K463-M467 PolarHBondContact O-N 3.23Å; L464-M467 WeakPolarHBondContact O-CB 3.14Å; L464-M467 PolarHBondContact O-N 2.99Å; L464-M467 VanDerWaalsContact O-N 3.17Å; F465-M467 VanDerWaalsContact C-N 3.28Å; F465-M467 PolarHBondContact O-N 3.06Å; M467-K470 PolarHBondContact O-N 2.7Å; M467-L471 PolarHBondContact O-N 3.12Å
468L76.3Confident68.8Low3 Ų352.4 Ų52.42%0.01625%0.253CS..Hα-helixtrans-65.5-38.3176.3-69.7171.8000111.9L409 I412 L464 F465 K470 L471 L481 Q482 A485L409-L468 HydrophobicContact CD2-CD2 4.02Å; I412-L468 HydrophobicContact CD1-CD2 3.46Å; I412-L468 VanDerWaalsContact CD1-CD2 3.46Å; L464-L468 HydrophobicContact CD1-CD1 4.05Å; L464-L468 HydrophobicContact CD1-CG 4.16Å; L464-L468 HydrophobicContact CD2-CD1 4.48Å; L464-L468 HydrophobicContact CG-CD1 3.87Å; L464-L468 HydrophobicContact CG-CG 4.38Å; L464-L468 WeakPolarHBondContact O-CG 3.39Å; L464-L468 PolarHBondContact O-N 2.65Å; F465-L468 PolarHBondContact O-N 3.2Å; L468-K470 PolarHBondContact O-N 2.72Å; L468-L471 HydrophobicContact CD2-CD1 3.76Å; L468-L471 WeakPolarHBondContact O-CB 3.47Å; L468-L471 WeakPolarHBondContact O-CG 3.47Å; L468-L471 PolarHBondContact O-N 3.29Å; L468-L481 HydrophobicContact CD2-CB 4.25Å; L468-Q482 HydrophobicContact CB-CG 3.65Å; L468-Q482 HydrophobicContact CD1-CB 4.43Å; L468-Q482 HydrophobicContact CD1-CG 3.97Å; L468-Q482 HydrophobicContact CG-CG 4.44Å; L468-A485 HydrophobicContact CD1-CB 3.6Å
469D70.5Confident69.1Low72 Ų7252.7 Ų52.739%0.38525%0.25SS..Hα-helixtrans-66-29174.5-170.654.3000111.4F465 L471 R478F465-D469 WeakPolarHBondContact O-CB 3.27Å; F465-D469 PolarHBondContact O-N 2.85Å; D469-L471 VanDerWaalsContact C-N 3.29Å; D469-L471 PolarHBondContact O-N 2.87Å; D469-R478 WeakPolarHBondContact O-CD 3.41Å; D469-R478 PolarHBondContact O-NH1 2.87Å; D469-R478 IonicContact OD1-CZ 2.72Å; D469-R478 IonicContact OD1-NH1 3.97Å; D469-R478 PolarHBondContact OD1-NH1 3.28Å; D469-R478 IonicContact OD2-NH1 3.55Å
470K71.2Confident69.2Low157 Ų15752.9 Ų52.968%0.68325%0.246SC*.THydrogen-bonded Turntrans-78.9-5.3175.4-73.5174.2-178.5-179.60114.6I466 M467 L468I466-K470 HydrophobicContact CG2-CD 4.17Å; I466-K470 WeakPolarHBondContact O-CB 3.39Å; I466-K470 VanDerWaalsContact O-CG 3.25Å; I466-K470 WeakPolarHBondContact O-CG 3.4Å; I466-K470 PolarHBondContact O-N 3.27Å; I466-K470 VanDerWaalsContact O-N 3.08Å; M467-K470 PolarHBondContact O-N 2.7Å; L468-K470 PolarHBondContact O-N 2.72Å
471L69.2Low69.9Low30 Ų3050.1 Ų50.116%0.15724%0.235CC..SBendtrans-62.3143.5179.3-70175.7000111.5I408 I412 M467 L468 D469 L473 R478 L481I408-L471 HydrophobicContact CG2-CD1 4.07Å; I412-L471 HydrophobicContact CD1-CD1 3.87Å; I412-L471 HydrophobicContact CD1-CD2 4.05Å; I412-L471 HydrophobicContact CD1-CG 4.38Å; M467-L471 PolarHBondContact O-N 3.12Å; L468-L471 HydrophobicContact CD2-CD1 3.76Å; L468-L471 WeakPolarHBondContact O-CB 3.47Å; L468-L471 WeakPolarHBondContact O-CG 3.47Å; L468-L471 PolarHBondContact O-N 3.29Å; D469-L471 VanDerWaalsContact C-N 3.29Å; D469-L471 PolarHBondContact O-N 2.87Å; L471-L473 HydrophobicContact CB-CD1 4.22Å; L471-L473 HydrophobicContact CB-CG 4.3Å; L471-L473 HydrophobicContact CD1-CD1 4.1Å; L471-L473 PolarHBondContact O-N 3.22Å; L471-R478 HydrophobicContact CB-CG 4.22Å; L471-R478 VanDerWaalsContact O-CD 3.28Å; L471-R478 WeakPolarHBondContact O-CD 3.48Å; L471-L481 HydrophobicContact CD1-CD1 3.63Å
472P65.5Low70.3Confident59 Ų5950.4 Ų50.438%0.38324%0.237SC..SBendtrans-78.448.4178.435.3-38.7000112.4P186P186-P472 HydrophobicContact CB-CB 3.51Å; P186-P472 HydrophobicContact CB-CG 3.71Å; P186-P472 HydrophobicContact CG-CB 3.53Å; P186-P472 HydrophobicContact CG-CG 3.43Å; P186-P472 VanDerWaalsContact CG-CG 3.43Å
473L64.5Low70.4Confident32 Ų3252.7 Ų52.717%0.16824%0.241CC..SBendtrans-114.6151.5-178.3-65.7173.2000109.7F188 L400 I408 L471 R475 E477 R478 L481F188-L473 WeakPolarHBondContact CE1-O 3.39Å; L400-L473 HydrophobicContact CD1-CD2 4.49Å; L400-L473 HydrophobicContact CD2-CD1 4.3Å; I408-L473 HydrophobicContact CD1-CD1 4.49Å; L471-L473 HydrophobicContact CB-CD1 4.22Å; L471-L473 HydrophobicContact CB-CG 4.3Å; L471-L473 HydrophobicContact CD1-CD1 4.1Å; L471-L473 PolarHBondContact O-N 3.22Å; L473-R475 PolarHBondContact O-N 3.43Å; L473-E477 HydrophobicContact CB-CB 4.03Å; L473-R478 HydrophobicContact CB-CG 3.91Å; L473-R478 PolarHBondContact O-NE 2.59Å; L473-L481 HydrophobicContact CD1-CD1 3.24Å
474P60.1Low70.7Confident26 Ų2650.4 Ų50.417%0.16923%0.234CC..  trans-44.2141.7166.7-28.736.1000110.5H194 I397 V476 E477 R478H194-P474 HydrophobicContact CB-CB 4.05Å; I397-P474 HydrophobicContact CD1-CG 4.48Å; P474-V476 PolarHBondContact O-N 3.34Å; P474-E477 HydrophobicContact CB-CB 4.5Å; P474-E477 HydrophobicContact CB-CG 4.27Å; P474-E477 HydrophobicContact CG-CG 4.32Å; P474-E477 PolarHBondContact O-N 2.89Å; P474-R478 PolarHBondContact O-N 2.86Å
475R62.9Low70.9Confident68 Ų6850.1 Ų50.126%0.25723%0.232SC..Hα-helixtrans-49.9-38.7-177.4-173.1179.7-172.6166.63.6112.4L473 R478 R479L473-R475 PolarHBondContact O-N 3.43Å; R475-R478 PolarHBondContact O-N 2.83Å; R475-R479 VanDerWaalsContact NH2-NH2 3.17Å; R475-R479 WeakPolarHBondContact O-CG 3.36Å; R475-R479 PolarHBondContact O-N 2.9Å
476V61.8Low70.8Confident26 Ų2650.5 Ų50.516%0.15823%0.234CC..Hα-helixtrans-59.2-48.9175.3171.80000112.3K196 P474 R479 R480K196-V476 HydrophobicContact CB-CG1 4.41Å; K196-V476 HydrophobicContact CB-CG2 4.24Å; K196-V476 HydrophobicContact CD-CG1 4.38Å; K196-V476 HydrophobicContact CG-CB 4.13Å; K196-V476 HydrophobicContact CG-CG1 3.63Å; K196-V476 HydrophobicContact CG-CG2 3.39Å; P474-V476 PolarHBondContact O-N 3.34Å; V476-R479 PolarHBondContact O-N 3.28Å; V476-R480 PolarHBondContact O-N 2.86Å
477E70.7Confident70.7Confident16 Ų1648.8 Ų48.88%0.07523%0.231CC..Hα-helixtrans-69.9-36-179.4-65.7-65.117100111.2Q399 L400 L473 P474 R479 R480 L481Q399-E477 WeakPolarHBondContact CA-OE1 3.43Å; L400-E477 WeakPolarHBondContact CB-OE2 3.23Å; L400-E477 PolarHBondContact N-OE1 2.79Å; L473-E477 HydrophobicContact CB-CB 4.03Å; P474-E477 HydrophobicContact CB-CB 4.5Å; P474-E477 HydrophobicContact CB-CG 4.27Å; P474-E477 HydrophobicContact CG-CG 4.32Å; P474-E477 PolarHBondContact O-N 2.89Å; E477-R479 PolarHBondContact O-N 3.1Å; E477-R480 PolarHBondContact O-N 2.79Å; E477-R480 IonicContact OE2-NH1 2.76Å; E477-L481 WeakPolarHBondContact O-CG 3.47Å; E477-L481 PolarHBondContact O-N 3.43Å
478R73.1Confident70.7Confident33 Ų3349.3 Ų49.313%0.12524%0.238CC..Hα-helixtrans-57.5-48.8170.2-74.3-169.8-83.8150.512.4111.4D469 L471 L473 P474 R475 L481 Q482D469-R478 WeakPolarHBondContact O-CD 3.41Å; D469-R478 PolarHBondContact O-NH1 2.87Å; D469-R478 IonicContact OD1-CZ 2.72Å; D469-R478 IonicContact OD1-NH1 3.97Å; D469-R478 PolarHBondContact OD1-NH1 3.28Å; D469-R478 IonicContact OD2-NH1 3.55Å; L471-R478 HydrophobicContact CB-CG 4.22Å; L471-R478 VanDerWaalsContact O-CD 3.28Å; L471-R478 WeakPolarHBondContact O-CD 3.48Å; L473-R478 HydrophobicContact CB-CG 3.91Å; L473-R478 PolarHBondContact O-NE 2.59Å; P474-R478 PolarHBondContact O-N 2.86Å; R475-R478 PolarHBondContact O-N 2.83Å; R478-L481 PolarHBondContact O-N 3.11Å; R478-Q482 VanDerWaalsContact O-CG 3.29Å; R478-Q482 WeakPolarHBondContact O-CG 3.45Å; R478-Q482 PolarHBondContact O-N 3.06Å
479R67.1Low70.4Confident55 Ų5551.2 Ų51.221%0.20825%0.247CC..Hα-helixtrans-63.2-41.2178-76.1179.4175.1166.4-4.7112.6E229 R475 V476 E477 L481 Q482 R483E229-R479 IonicContact OE1-NH1 3.69Å; E229-R479 IonicContact OE2-NH1 3.8Å; E229-R479 PolarHBondContact OE2-NH1 2.79Å; R475-R479 VanDerWaalsContact NH2-NH2 3.17Å; R475-R479 WeakPolarHBondContact O-CG 3.36Å; R475-R479 PolarHBondContact O-N 2.9Å; V476-R479 PolarHBondContact O-N 3.28Å; E477-R479 PolarHBondContact O-N 3.1Å; R479-L481 VanDerWaalsContact C-N 3.34Å; R479-L481 PolarHBondContact O-N 2.9Å; R479-Q482 WeakPolarHBondContact O-CB 3.43Å; R479-Q482 PolarHBondContact O-N 2.76Å; R479-R483 PolarHBondContact O-N 2.72Å
480R69.7Low70.1Confident69 Ų6949.5 Ų49.526%0.2624%0.243SC..Hα-helixtrans-58.5-47.4174.3-177.5-177.4173.7-163.51.9111L400 V476 E477 Q482 R483 D484L400-R480 PolarHBondContact O-NH1 3.44Å; V476-R480 PolarHBondContact O-N 2.86Å; E477-R480 PolarHBondContact O-N 2.79Å; E477-R480 IonicContact OE2-NH1 2.76Å; R480-Q482 PolarHBondContact O-N 3.28Å; R480-R483 PolarHBondContact O-N 3.49Å; R480-D484 WeakPolarHBondContact O-CB 3.37Å; R480-D484 VanDerWaalsContact O-CG 3.28Å; R480-D484 PolarHBondContact O-N 3.42Å
481L79.7Confident69.8Low0 Ų050.5 Ų50.50%024%0.243CC..Hα-helixtrans-63.4-38.9175.3-71171.8000112.6L400 I408 L409 L468 L471 L473 E477 R478 R479 R483 D484 A485L400-L481 HydrophobicContact CD2-CD1 4.06Å; L400-L481 HydrophobicContact CD2-CD2 4.05Å; L400-L481 HydrophobicContact CD2-CG 4.28Å; I408-L481 HydrophobicContact CG2-CD1 4.02Å; I408-L481 HydrophobicContact CG2-CD2 4.48Å; L409-L481 HydrophobicContact CD1-CD2 4.28Å; L409-L481 HydrophobicContact CD2-CB 4.27Å; L409-L481 HydrophobicContact CD2-CD2 4.06Å; L409-L481 HydrophobicContact CG-CD2 3.85Å; L468-L481 HydrophobicContact CD2-CB 4.25Å; L471-L481 HydrophobicContact CD1-CD1 3.63Å; L473-L481 HydrophobicContact CD1-CD1 3.24Å; E477-L481 WeakPolarHBondContact O-CG 3.47Å; E477-L481 PolarHBondContact O-N 3.43Å; R478-L481 PolarHBondContact O-N 3.11Å; R479-L481 VanDerWaalsContact C-N 3.34Å; R479-L481 PolarHBondContact O-N 2.9Å; L481-R483 VanDerWaalsContact C-N 3.34Å; L481-R483 PolarHBondContact O-N 2.9Å; L481-D484 PolarHBondContact O-N 3.17Å; L481-A485 WeakPolarHBondContact O-CB 3.45Å; L481-A485 PolarHBondContact O-N 3.35Å
482Q76.9Confident69.3Low23 Ų2351.4 Ų51.411%0.10726%0.259CS..Hα-helixtrans-59-44.9173.4-73166.8-19.800111.6F465 L468 R478 R479 R480 F486F465-Q482 HydrophobicContact CD2-CB 4.39Å; F465-Q482 HydrophobicContact CD2-CG 4.01Å; F465-Q482 HydrophobicContact CE2-CB 4.19Å; F465-Q482 HydrophobicContact CE2-CG 3.93Å; L468-Q482 HydrophobicContact CB-CG 3.65Å; L468-Q482 HydrophobicContact CD1-CB 4.43Å; L468-Q482 HydrophobicContact CD1-CG 3.97Å; L468-Q482 HydrophobicContact CG-CG 4.44Å; R478-Q482 VanDerWaalsContact O-CG 3.29Å; R478-Q482 WeakPolarHBondContact O-CG 3.45Å; R478-Q482 PolarHBondContact O-N 3.06Å; R479-Q482 WeakPolarHBondContact O-CB 3.43Å; R479-Q482 PolarHBondContact O-N 2.76Å; R480-Q482 PolarHBondContact O-N 3.28Å; Q482-F486 VanDerWaalsContact O-CB 3.32Å; Q482-F486 WeakPolarHBondContact O-CB 3.3Å; Q482-F486 PolarHBondContact O-N 2.71Å
483R70.4Confident68.4Low144 Ų14453.2 Ų53.254%0.54327%0.265SS..Hα-helixtrans-65.6-46.1177.1-172.7-177.967.2-178.25.4112R479 R480 L481 A485 F486 A487R479-R483 PolarHBondContact O-N 2.72Å; R480-R483 PolarHBondContact O-N 3.49Å; L481-R483 VanDerWaalsContact C-N 3.34Å; L481-R483 PolarHBondContact O-N 2.9Å; R483-A485 VanDerWaalsContact C-N 3.34Å; R483-A485 PolarHBondContact O-N 3.09Å; R483-F486 PolarHBondContact O-N 2.86Å; R483-A487 WeakPolarHBondContact O-CB 3.3Å; R483-A487 PolarHBondContact O-N 3.44Å
484D78.5Confident67.3Low47 Ų4755.9 Ų55.925%0.25129%0.292SS..Hα-helixtrans-64.8-40.4179.4-69-7.4000110.7L409 R480 L481 A487 V488L409-D484 HydrophobicContact CD1-CB 3.64Å; R480-D484 WeakPolarHBondContact O-CB 3.37Å; R480-D484 VanDerWaalsContact O-CG 3.28Å; R480-D484 PolarHBondContact O-N 3.42Å; L481-D484 PolarHBondContact O-N 3.17Å; D484-A487 PolarHBondContact O-N 2.85Å; D484-V488 WeakPolarHBondContact O-CG2 3.5Å; D484-V488 PolarHBondContact O-N 3.27Å
485A79.4Confident66.2Low1 Ų163.8 Ų63.81%0.00833%0.332CS..Hα-helixtrans-62.9-43.3173.700000112L409 F413 L464 L468 L481 R483 V488 L489L409-A485 HydrophobicContact CD2-CB 3.75Å; F413-A485 HydrophobicContact CZ-CB 3.98Å; L464-A485 HydrophobicContact CD2-CB 4.17Å; L468-A485 HydrophobicContact CD1-CB 3.6Å; L481-A485 WeakPolarHBondContact O-CB 3.45Å; L481-A485 PolarHBondContact O-N 3.35Å; R483-A485 VanDerWaalsContact C-N 3.34Å; R483-A485 PolarHBondContact O-N 3.09Å; A485-V488 PolarHBondContact O-N 3Å; A485-L489 PolarHBondContact O-N 3.42Å
486F72Confident66.4Low64 Ų6463.6 Ų63.628%0.28134%0.336SS..Hα-helixtrans-62.4-44.2176-173-93.6000111.3I451 V452 M455 F461 Q482 R483 V488 L489 A490I451-F486 HydrophobicContact CG2-CZ 4.34Å; V452-F486 HydrophobicContact CG2-CE1 4.23Å; V452-F486 HydrophobicContact CG2-CZ 3.94Å; M455-F486 HydrophobicContact CB-CE2 4.31Å; M455-F486 HydrophobicContact SD-CE2 3.64Å; M455-F486 HydrophobicContact SD-CZ 3.78Å; F461-F486 HydrophobicContact CD1-CD2 4.09Å; F461-F486 HydrophobicContact CD1-CE2 4.24Å; F461-F486 AromaticContact CE1-CD2 3.99Å; F461-F486 HydrophobicContact CE1-CD2 3.99Å; F461-F486 HydrophobicContact CE1-CE2 4.06Å; Q482-F486 VanDerWaalsContact O-CB 3.32Å; Q482-F486 WeakPolarHBondContact O-CB 3.3Å; Q482-F486 PolarHBondContact O-N 2.71Å; R483-F486 PolarHBondContact O-N 2.86Å; F486-V488 VanDerWaalsContact C-N 3.29Å; F486-V488 PolarHBondContact O-N 2.85Å; F486-L489 PolarHBondContact O-N 2.97Å; F486-A490 HydrophobicContact CE1-CB 4.45Å; F486-A490 VanDerWaalsContact O-CB 3.27Å; F486-A490 WeakPolarHBondContact O-CB 3.3Å; F486-A490 PolarHBondContact O-N 2.52Å
487A70.6Confident66.7Low39 Ų3965.6 Ų65.632%0.32235%0.346SS..Hα-helixtrans-62.2-35.1176.900000112.7R483 D484 R491R483-A487 WeakPolarHBondContact O-CB 3.3Å; R483-A487 PolarHBondContact O-N 3.44Å; D484-A487 PolarHBondContact O-N 2.85Å; A487-R491 WeakPolarHBondContact O-CG 3.38Å; A487-R491 PolarHBondContact O-N 2.61Å
488V74Confident66.4Low72 Ų7268.3 Ų68.344%0.43636%0.361SS..Hα-helixtrans-68.9-47.5174171.60000111.2F413 D484 A485 F486 R491 G492F413-V488 HydrophobicContact CE2-CB 4.16Å; F413-V488 HydrophobicContact CE2-CG1 3.89Å; F413-V488 HydrophobicContact CZ-CB 4.16Å; F413-V488 HydrophobicContact CZ-CG1 4.03Å; D484-V488 WeakPolarHBondContact O-CG2 3.5Å; D484-V488 PolarHBondContact O-N 3.27Å; A485-V488 PolarHBondContact O-N 3Å; F486-V488 VanDerWaalsContact C-N 3.29Å; F486-V488 PolarHBondContact O-N 2.85Å; V488-R491 PolarHBondContact O-N 2.66Å; V488-G492 PolarHBondContact O-N 3.4Å; V488-G492 VanDerWaalsContact O-N 3.1Å
489L69.7Low66Low42 Ų4270.4 Ų70.422%0.2238%0.375CS..Hα-helixtrans-66.6-37179.4-74.7-179.4000113.2F413 F461 L464 A485 F486 R491 G492 I493F413-L489 HydrophobicContact CD1-CD2 4.49Å; F413-L489 HydrophobicContact CE1-CD1 4.21Å; F413-L489 HydrophobicContact CE1-CD2 3.72Å; F413-L489 HydrophobicContact CE1-CG 3.76Å; F413-L489 HydrophobicContact CZ-CD2 4.42Å; F413-L489 HydrophobicContact CZ-CG 4.11Å; F461-L489 HydrophobicContact CD1-CD1 3.79Å; F461-L489 HydrophobicContact CE1-CB 3.65Å; F461-L489 HydrophobicContact CE1-CD1 3.41Å; F461-L489 VanDerWaalsContact CE1-CD1 3.41Å; F461-L489 HydrophobicContact CE1-CG 4.2Å; F461-L489 HydrophobicContact CZ-CB 3.87Å; F461-L489 HydrophobicContact CZ-CD1 3.94Å; L464-L489 HydrophobicContact CD2-CD1 3.38Å; L464-L489 HydrophobicContact CD2-CG 4.34Å; A485-L489 PolarHBondContact O-N 3.42Å; F486-L489 PolarHBondContact O-N 2.97Å; L489-R491 VanDerWaalsContact C-N 3.27Å; L489-R491 PolarHBondContact O-N 2.92Å; L489-G492 PolarHBondContact O-N 3.4Å; L489-I493 WeakPolarHBondContact O-CG1 3.25Å; L489-I493 PolarHBondContact O-N 2.76Å
490A64.8Low66Low36 Ų3671.4 Ų71.430%0.29839%0.385SS..Hα-helixtrans-63.1-35.1176.200000111.6F486F486-A490 HydrophobicContact CE1-CB 4.45Å; F486-A490 VanDerWaalsContact O-CB 3.27Å; F486-A490 WeakPolarHBondContact O-CB 3.3Å; F486-A490 PolarHBondContact O-N 2.52Å
491R64.9Low65.7Low178 Ų17871.5 Ų71.567%0.67239%0.393SS*.Hα-helixtrans-68.5-45.3172.3-73.5-175.4-176116.6-0.8112A487 V488 L489 I493 A494 D495A487-R491 WeakPolarHBondContact O-CG 3.38Å; A487-R491 PolarHBondContact O-N 2.61Å; V488-R491 PolarHBondContact O-N 2.66Å; L489-R491 VanDerWaalsContact C-N 3.27Å; L489-R491 PolarHBondContact O-N 2.92Å; R491-I493 PolarHBondContact O-N 3.04Å; R491-I493 VanDerWaalsContact O-N 3.15Å; R491-A494 PolarHBondContact O-N 3.48Å; R491-A494 VanDerWaalsContact O-N 3.08Å; R491-D495 PolarHBondContact O-N 3.2Å
492G58Low64.7Low49 Ų4976.6 Ų76.651%0.50542%0.421SS..Hα-helixtrans-71.3-2.3-179.900000116V488 L489V488-G492 PolarHBondContact O-N 3.4Å; V488-G492 VanDerWaalsContact O-N 3.1Å; L489-G492 PolarHBondContact O-N 3.4Å
493I48.4Very low63.8Low98 Ų9880.8 Ų80.850%0.50345%0.446SS..Hα-helixtrans-101.8-17.3171.7-72.3166.8000111.3M455 F461 L489 R491M455-I493 HydrophobicContact CE-CD1 3.18Å; M455-I493 HydrophobicContact CE-CG1 4.39Å; M455-I493 HydrophobicContact CE-CG2 4.34Å; F461-I493 HydrophobicContact CE2-CD1 3.88Å; F461-I493 HydrophobicContact CZ-CD1 3.64Å; L489-I493 WeakPolarHBondContact O-CG1 3.25Å; L489-I493 PolarHBondContact O-N 2.76Å; R491-I493 PolarHBondContact O-N 3.04Å; R491-I493 VanDerWaalsContact O-N 3.15Å
494A41.2Very low63.2Low88 Ų8875.5 Ų75.573%0.72744%0.437SS*.Hα-helixtrans-82.9-22.3173.300000112.5R491R491-A494 PolarHBondContact O-N 3.48Å; R491-A494 VanDerWaalsContact O-N 3.08Å
495D37.3Very low61.8Low192 Ų19278.1 Ų78.1100%1.02745%0.454SS*.  trans-87.50167.6-60.2-29.4000110.4R491R491-D495 PolarHBondContact O-N 3.2Å

Retrieved 495 of 495 residues in 118.8 ms (Link to these results)

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