A0A093HBZ8_STRCA Loading...

Transcriptional adapter

AlphaFold DB , UniProt , Accession A0A093HBZ8, Species STRCA (Struthio camelus australis), Gene n/a, Length 443 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
1M34.1Very low39.4Very low242 Ų242130.2 Ų130.2100%1.19267%0.665SS**  085.20-75.3-178.5-16900106.5
2E28.3Very low40.1Very low195 Ų195133.1 Ų133.191%0.91167%0.67SS**  trans-69.5125.5173.9-72.9166.8156.200107.2L4E2-L4 PolarHBondContact O-N 3.3Å
3R32.6Very low41.6Very low245 Ų245132.4 Ų132.493%0.92567%0.67SS**  trans-66.1115.8172.9-68.4177.3179178.6-2.3106.3A5R3-A5 PolarHBondContact O-N 3.27Å
4L36.3Very low43.9Very low177 Ų177127.9 Ų127.993%0.92764%0.643SS**  trans-57.6111.6164.3-74.9160.1000106.2E2E2-L4 PolarHBondContact O-N 3.3Å
5A35.7Very low46.6Very low76 Ų76122 Ų12263%0.62862%0.617SS**  trans-64.5139172.600000107.9R3R3-A5 PolarHBondContact O-N 3.27Å
6S39.4Very low49.3Very low28 Ų28118.3 Ų118.320%0.19660%0.604CS.*  trans-53.5140.7169.657.80000109.4S8 N9S6-S8 PolarHBondContact O-N 3.16Å; S6-S8 PolarHBondContact OG-OG 3.41Å; S6-N9 PolarHBondContact O-N 3.02Å; S6-N9 PolarHBondContact OG-ND2 2.84Å; S6-N9 VanDerWaalsContact OG-ND2 3.15Å
7F44.2Very low51.8Low160 Ų160111.4 Ų111.470%0.70257%0.569SS**G310 helixtrans-54.9-15.6178.6-81.5-84.9000113.6
8S44.8Very low54Low57 Ų57111.8 Ų111.840%0.39956%0.563SS.*G310 helixtrans-85.4-1.8175.741.60000115.8S6 E85S6-S8 PolarHBondContact O-N 3.16Å; S6-S8 PolarHBondContact OG-OG 3.41Å; S8-E85 WeakPolarHBondContact CB-OE2 3.44Å; S8-E85 PolarHBondContact OG-OE2 3.39Å
9N45.9Very low55.8Low96 Ų96107.3 Ų107.351%0.51355%0.547SS..G310 helixtrans-113.918.5-176.9-91-43.5000114.8S6 P11S6-N9 PolarHBondContact O-N 3.02Å; S6-N9 PolarHBondContact OG-ND2 2.84Å; S6-N9 VanDerWaalsContact OG-ND2 3.15Å; N9-P11 VanDerWaalsContact O-CD 3.3Å; N9-P11 WeakPolarHBondContact O-CD 3.49Å
10D46.3Very low57.6Low77 Ų77105.1 Ų105.141%0.41254%0.541SS..  trans-67.9120.5168.5-162.4-23.6000109.6F12 D13D10-F12 PolarHBondContact O-N 3.18Å; D10-F12 VanDerWaalsContact OD1-CD2 3.31Å; D10-F12 WeakPolarHBondContact OD1-CD2 3.41Å; D10-F12 PolarHBondContact OD1-N 3.17Å; D10-F12 VanDerWaalsContact OD1-N 3.09Å; D10-D13 PolarHBondContact O-N 3.18Å
11P46.2Very low59.1Low79 Ų79104.7 Ų104.751%0.51355%0.547SS..THydrogen-bonded Turntrans-56.2-18.5174.8-23.634000113.9N9N9-P11 VanDerWaalsContact O-CD 3.3Å; N9-P11 WeakPolarHBondContact O-CD 3.49Å
12F47.5Very low61.7Low165 Ų16595.7 Ų95.772%0.72451%0.508SS*.THydrogen-bonded Turntrans-83-13.6-179.7-71-78.9000114.9D10D10-F12 PolarHBondContact O-N 3.18Å; D10-F12 VanDerWaalsContact OD1-CD2 3.31Å; D10-F12 WeakPolarHBondContact OD1-CD2 3.41Å; D10-F12 PolarHBondContact OD1-N 3.17Å; D10-F12 VanDerWaalsContact OD1-N 3.09Å
13D59.5Low64.6Low124 Ų12492.7 Ų92.766%0.66349%0.49SS*.SBendtrans-87.9-9.7177.2-87-27.6000113.9D10D10-D13 PolarHBondContact O-N 3.18Å
14K74.4Confident67.3Low70 Ų7081.3 Ų81.330%0.30445%0.447SS..SBendtrans-82.4125.5-178.7-70.3177.3-176170.80110.4Y23K14-Y23 HydrophobicContact CB-CD1 4.37Å; K14-Y23 WeakPolarHBondContact O-CD1 3.5Å
15P83.9Confident69.6Low39 Ų3977.4 Ų77.425%0.25343%0.431SS..PPolyproline II helixtrans-66141.2-179.323-30.2000111.3L24 L40P15-L24 HydrophobicContact CB-CD1 4.44Å; P15-L24 HydrophobicContact CG-CB 4.36Å; P15-L24 HydrophobicContact CG-CD1 4.27Å; P15-L24 WeakPolarHBondContact O-CB 3.38Å; P15-L24 WeakPolarHBondContact O-CG 3.34Å; P15-L24 PolarHBondContact O-N 3.32Å; P15-L40 HydrophobicContact CB-CD1 3.48Å; P15-L40 VanDerWaalsContact CB-CD1 3.48Å; P15-L40 HydrophobicContact CG-CD1 3.85Å
16P90.5Very high71.9Confident62 Ų6277.6 Ų77.640%0.40342%0.419SS..BIsolated β-bridgetrans-79143.2177.230.6-34.1000112R18P16-R18 PolarHBondContact O-N 3.42Å
17C91.9Very high74.3Confident2 Ų278.9 Ų78.91%0.01443%0.426CS..PPolyproline II helixtrans-63.6128.7169.8-179.80000110.5G19 C20 S21 S22 L24 C42C17-G19 PolarHBondContact O-N 3.3Å; C17-G19 PolarHBondContact SG-N 3.45Å; C17-G19 VanDerWaalsContact SG-N 3.36Å; C17-C20 VanDerWaalsContact CB-SG 3.59Å; C17-C20 PolarHBondContact SG-SG 2.94Å; C17-S21 WeakPolarHBondContact O-CA 3.26Å; C17-S21 PolarHBondContact O-N 3.46Å; C17-S22 WeakPolarHBondContact CB-O 3.46Å; C17-S22 PolarHBondContact N-O 3.29Å; C17-L24 HydrophobicContact CB-CD2 3.7Å; C17-L24 HydrophobicContact CB-CG 4.24Å; C17-C42 HydrophobicContact CB-CB 4.32Å; C17-C42 PolarHBondContact SG-N 2.9Å
18R90.2Very high76.6Confident119 Ų11972.8 Ų72.845%0.44940%0.399SS..THydrogen-bonded Turntrans-67.6-18.5176.7-66.3-61.5-172-173.8-3.2114P16 F39 L40 L41P16-R18 PolarHBondContact O-N 3.42Å; R18-F39 HydrophobicContact CB-CD1 4.4Å; R18-F39 HydrophobicContact CB-CD2 4.24Å; R18-F39 HydrophobicContact CB-CE1 3.99Å; R18-F39 HydrophobicContact CB-CE2 3.81Å; R18-F39 HydrophobicContact CB-CZ 3.68Å; R18-F39 HydrophobicContact CG-CD1 4.48Å; R18-F39 HydrophobicContact CG-CD2 3.98Å; R18-F39 HydrophobicContact CG-CE2 4.04Å; R18-F39 HydrophobicContact CG-CG 4.21Å; R18-F39 HydrophobicContact CG-CZ 4.32Å; R18-L40 PolarHBondContact N-O 3.29Å; R18-L41 HydrophobicContact CB-CD2 4.33Å
19G88.1Confident78.9Confident26 Ų2670.3 Ų70.327%0.26838%0.381SS..THydrogen-bonded Turntrans-89.4-44.9-179.300000115.1C17 F50C17-G19 PolarHBondContact O-N 3.3Å; C17-G19 PolarHBondContact SG-N 3.45Å; C17-G19 VanDerWaalsContact SG-N 3.36Å; G19-F50 VanDerWaalsContact CA-CE1 3.46Å; G19-F50 VanDerWaalsContact CA-CZ 3.48Å
20C91.4Very high81.1Confident63 Ų6369 Ų6943%0.42637%0.371SS..THydrogen-bonded Turntrans-120.90.2-174.860.20000114.1C17 S22C17-C20 VanDerWaalsContact CB-SG 3.59Å; C17-C20 PolarHBondContact SG-SG 2.94Å; C20-S22 PolarHBondContact O-N 2.97Å; C20-S22 PolarHBondContact SG-OG 3.29Å
21S89.3Confident83.4Confident96 Ų9665.7 Ų65.767%0.67135%0.354SS*.  trans59.49.5-178-53.30000115.4C17C17-S21 WeakPolarHBondContact O-CA 3.26Å; C17-S21 PolarHBondContact O-N 3.46Å
22S89.2Confident85.5Confident54 Ų5464.3 Ų64.338%0.37835%0.349SS..PPolyproline II helixtrans-72.7145.217268.30000110.5C17 C20 L24C17-S22 WeakPolarHBondContact CB-O 3.46Å; C17-S22 PolarHBondContact N-O 3.29Å; C20-S22 PolarHBondContact O-N 2.97Å; C20-S22 PolarHBondContact SG-OG 3.29Å; S22-L24 PolarHBondContact O-N 3.46Å
23Y89.8Confident87.6Confident132 Ų13261.7 Ų61.752%0.51834%0.339SS..BIsolated β-bridgetrans-60.5131.9171.4-63.8-70.6000110.9K14K14-Y23 HydrophobicContact CB-CD1 4.37Å; K14-Y23 WeakPolarHBondContact O-CD1 3.5Å
24L88.2Confident89Confident6 Ų656.9 Ų56.93%0.03132%0.315CS..PPolyproline II helixtrans-80131.5-178.9-64.5171.7000110.2P15 C17 S22 Y28 L40 C42P15-L24 HydrophobicContact CB-CD1 4.44Å; P15-L24 HydrophobicContact CG-CB 4.36Å; P15-L24 HydrophobicContact CG-CD1 4.27Å; P15-L24 WeakPolarHBondContact O-CB 3.38Å; P15-L24 WeakPolarHBondContact O-CG 3.34Å; P15-L24 PolarHBondContact O-N 3.32Å; C17-L24 HydrophobicContact CB-CD2 3.7Å; C17-L24 HydrophobicContact CB-CG 4.24Å; S22-L24 PolarHBondContact O-N 3.46Å; L24-Y28 HydrophobicContact CB-CD1 4.01Å; L24-Y28 HydrophobicContact CB-CG 4.02Å; L24-Y28 HydrophobicContact CD1-CD2 3.78Å; L24-Y28 HydrophobicContact CD1-CE2 4.31Å; L24-Y28 HydrophobicContact CD1-CG 3.99Å; L24-Y28 HydrophobicContact CG-CG 4.41Å; L24-L40 HydrophobicContact CD1-CB 3.51Å; L24-L40 HydrophobicContact CD1-CD1 4.34Å; L24-C42 HydrophobicContact CD2-CB 3.6Å
25T84.9Confident89.4Confident95 Ų9556.2 Ų56.258%0.58333%0.328SS*.  trans-109.8139.3164480000107.7P27T25-P27 CarbonylContact O-C 3.56Å
26E85.3Confident89.2Confident80 Ų8060.7 Ų60.737%0.37436%0.357SS..SBendtrans-58.7143173.4-66.7-174.2-179.600110.8Y28 S66E26-Y28 HydrophobicContact CG-CD1 3.91Å; E26-Y28 HydrophobicContact CG-CE1 3.7Å; E26-S66 VanDerWaalsContact OE2-CB 3.26Å; E26-S66 WeakPolarHBondContact OE2-CB 3.41Å; E26-S66 PolarHBondContact OE2-N 2.97Å; E26-S66 PolarHBondContact OE2-OG 2.63Å
27P89.1Confident88.9Confident55 Ų5562 Ų6236%0.35737%0.366SS..SBendcis-81.1140.7-3.329.4-30.6000113.8T25 L43 I63 M64T25-P27 CarbonylContact O-C 3.56Å; P27-L43 HydrophobicContact CG-CD1 4.27Å; P27-I63 HydrophobicContact CB-CG2 4.28Å; P27-M64 VanDerWaalsContact CA-O 3.22Å; P27-M64 WeakPolarHBondContact CA-O 3.44Å
28Y91.9Very high88.6Confident32 Ų3265.2 Ų65.213%0.12539%0.387CS..EExtended strand (participates in β ladder)trans-134.8165.8174.765.2-92.6000112.1L24 E26 L40 M64L24-Y28 HydrophobicContact CB-CD1 4.01Å; L24-Y28 HydrophobicContact CB-CG 4.02Å; L24-Y28 HydrophobicContact CD1-CD2 3.78Å; L24-Y28 HydrophobicContact CD1-CE2 4.31Å; L24-Y28 HydrophobicContact CD1-CG 3.99Å; L24-Y28 HydrophobicContact CG-CG 4.41Å; E26-Y28 HydrophobicContact CG-CD1 3.91Å; E26-Y28 HydrophobicContact CG-CE1 3.7Å; Y28-L40 HydrophobicContact CD2-CD2 4.46Å; Y28-L40 HydrophobicContact CE2-CD1 4.23Å; Y28-L40 HydrophobicContact CE2-CD2 4.02Å; Y28-M64 HydrophobicContact CD1-CB 4.25Å; Y28-M64 HydrophobicContact CD2-CB 4.06Å; Y28-M64 HydrophobicContact CD2-CG 4.05Å; Y28-M64 HydrophobicContact CE1-CB 3.93Å; Y28-M64 HydrophobicContact CE2-CB 3.74Å; Y28-M64 HydrophobicContact CE2-CG 3.56Å; Y28-M64 HydrophobicContact CG-CB 4.3Å; Y28-M64 PolarHBondContact N-O 3.03Å; Y28-M64 PolarHBondContact O-N 3.42Å
29V93.1Very high88.6Confident5 Ų560.5 Ų60.53%0.0337%0.369CS..EExtended strand (participates in β ladder)trans-104.2134-174.4-1790000110.9L40 L41 L43 F46 Y61V29-L40 CarbonylContact O-C 3.59Å; V29-L40 WeakPolarHBondContact O-CA 3.47Å; V29-L41 PolarHBondContact N-O 3.38Å; V29-L41 PolarHBondContact O-N 3.15Å; V29-L43 HydrophobicContact CG2-CD2 4.08Å; V29-F46 HydrophobicContact CB-CB 4.48Å; V29-F46 HydrophobicContact CB-CD2 4.19Å; V29-F46 HydrophobicContact CB-CG 4.25Å; V29-F46 HydrophobicContact CG1-CD2 3.75Å; V29-F46 HydrophobicContact CG1-CE2 3.89Å; V29-F46 HydrophobicContact CG1-CG 4.26Å; V29-F46 HydrophobicContact CG1-CZ 4.5Å; V29-F46 HydrophobicContact CG2-CB 4.16Å; V29-F46 HydrophobicContact CG2-CD1 4.03Å; V29-F46 HydrophobicContact CG2-CD2 4.21Å; V29-F46 HydrophobicContact CG2-CG 3.85Å; V29-Y61 HydrophobicContact CG1-CD2 3.82Å; V29-Y61 HydrophobicContact CG1-CG 4.02Å
30K93.2Very high88.9Confident68 Ų6860.3 Ų60.330%0.29636%0.362SS..EExtended strand (participates in β ladder)trans-112.3126.8170.8174.2-179.4163.1-135.50109A32 L40 Y61 E62 M64K30-A32 PolarHBondContact O-N 2.9Å; K30-L40 HydrophobicContact CB-CD2 3.6Å; K30-L40 HydrophobicContact CD-CD2 4.25Å; K30-L40 HydrophobicContact CG-CD2 3.68Å; K30-Y61 CarbonylContact O-C 3.44Å; K30-Y61 WeakPolarHBondContact O-CA 3.49Å; K30-E62 HydrophobicContact CB-CB 4.44Å; K30-E62 PolarHBondContact N-O 3.31Å; K30-E62 IonicContact NZ-OE2 3.21Å; K30-E62 PolarHBondContact NZ-OE2 2.88Å; K30-E62 PolarHBondContact O-N 2.93Å; K30-M64 HydrophobicContact CB-CG 4.07Å; K30-M64 HydrophobicContact CB-SD 4.33Å; K30-M64 HydrophobicContact CD-SD 4.2Å
31C93.4Very high88.9Confident7 Ų757.5 Ų57.55%0.04734%0.343CS..EExtended strand (participates in β ladder)trans-70.7129.5172.4-178.60000109.7E33 C34 F39 H55 H59C31-E33 VanDerWaalsContact C-N 3.32Å; C31-C34 HydrophobicContact CB-CB 4.07Å; C31-F39 HydrophobicContact CB-CB 4.15Å; C31-F39 PolarHBondContact N-O 3.5Å; C31-H55 PolarHBondContact SG-ND1 2.97Å; C31-H59 VanDerWaalsContact SG-CB 3.55Å; C31-H59 PolarHBondContact SG-ND1 2.85Å; C31-H59 VanDerWaalsContact SG-ND1 3.44Å
32A91.4Very high89.1Confident51 Ų5153.9 Ų53.942%0.42132%0.317SS..SBendtrans-77.7-19.7-179.700000112.8K30 T60 E62K30-A32 PolarHBondContact O-N 2.9Å; A32-T60 WeakPolarHBondContact CB-O 3.4Å; A32-T60 PolarHBondContact N-O 3.36Å; A32-E62 HydrophobicContact CB-CG 4.46Å
33E91.9Very high89.3Confident109 Ų10955.3 Ų55.351%0.50932%0.32SS..SBendtrans-99.8-19.3-173.6-62.3178.6-143.500113.6C31 H59 T60C31-E33 VanDerWaalsContact C-N 3.32Å; E33-H59 HydrophobicContact CB-CB 4.46Å; E33-H59 HydrophobicContact CG-CB 4.5Å; E33-H59 IonicContact OE2-CD2 3.93Å; E33-H59 IonicContact OE2-CG 3.05Å; E33-H59 IonicContact OE2-NE2 2.65Å; E33-T60 VanDerWaalsContact CG-OG1 3.32Å; E33-T60 WeakPolarHBondContact CG-OG1 3.39Å; E33-T60 WeakPolarHBondContact OE1-CB 3.23Å; E33-T60 PolarHBondContact OE1-N 3.26Å; E33-T60 PolarHBondContact OE1-OG1 2.93Å
34C89Confident89.4Confident23 Ų2355.4 Ų55.416%0.15533%0.325CS..  trans-100.1117.7-173.9-71.10000112.7C31 F39 H59C31-C34 HydrophobicContact CB-CB 4.07Å; C34-F39 HydrophobicContact CB-CB 3.62Å; C34-F39 HydrophobicContact CB-CG 4.39Å; C34-H59 VanDerWaalsContact SG-CE1 3.59Å; C34-H59 PolarHBondContact SG-ND1 3.25Å; C34-H59 VanDerWaalsContact SG-ND1 3.37Å
35G82.1Confident89.7Confident57 Ų5755.6 Ų55.659%0.58833%0.327SS*.THydrogen-bonded Turntrans171.8171167.300000114
36P80.3Confident90.1Very high132 Ų13253.6 Ų53.686%0.85731%0.311SS*.THydrogen-bonded Turncis-87.4146.9-16.132.3-29.8000112.8
37P82.8Confident90.4Very high89 Ų8955.2 Ų55.258%0.57833%0.326SS*.THydrogen-bonded Turncis-791585.232.5-36.1000113.8
38P86.4Confident90.6Very high70 Ų7062 Ų6246%0.45535%0.345SS..THydrogen-bonded Turntrans-61.2144.7-179.325.9-34.5000112
39F90.6Very high90.6Very high20 Ų2062 Ų629%0.08835%0.354CS..  trans-104.4108.1-178.7-158.6-84.8000110.7R18 C31 C34 L41 F50 Y52 H55R18-F39 HydrophobicContact CB-CD1 4.4Å; R18-F39 HydrophobicContact CB-CD2 4.24Å; R18-F39 HydrophobicContact CB-CE1 3.99Å; R18-F39 HydrophobicContact CB-CE2 3.81Å; R18-F39 HydrophobicContact CB-CZ 3.68Å; R18-F39 HydrophobicContact CG-CD1 4.48Å; R18-F39 HydrophobicContact CG-CD2 3.98Å; R18-F39 HydrophobicContact CG-CE2 4.04Å; R18-F39 HydrophobicContact CG-CG 4.21Å; R18-F39 HydrophobicContact CG-CZ 4.32Å; C31-F39 HydrophobicContact CB-CB 4.15Å; C31-F39 PolarHBondContact N-O 3.5Å; C34-F39 HydrophobicContact CB-CB 3.62Å; C34-F39 HydrophobicContact CB-CG 4.39Å; F39-L41 HydrophobicContact CD1-CD1 4.39Å; F39-L41 HydrophobicContact CD1-CD2 4.42Å; F39-L41 HydrophobicContact CD1-CG 4.1Å; F39-L41 HydrophobicContact CE1-CD1 3.98Å; F39-L41 HydrophobicContact CE1-CD2 3.72Å; F39-L41 HydrophobicContact CE1-CG 3.8Å; F39-L41 HydrophobicContact CZ-CD2 4.49Å; F39-F50 HydrophobicContact CZ-CD1 4.36Å; F39-F50 HydrophobicContact CZ-CE1 4.08Å; F39-Y52 HydrophobicContact CE2-CD1 4.27Å; F39-H55 HydrophobicContact CD1-CB 4.14Å; F39-H55 AromaticContact CD1-CD2 3.73Å; F39-H55 AromaticContact CD1-CG 3.65Å; F39-H55 AromaticContact CD1-ND1 3.91Å; F39-H55 AromaticContact CD1-NE2 4Å; F39-H55 HydrophobicContact CD2-CB 4.18Å; F39-H55 HydrophobicContact CE1-CB 3.91Å; F39-H55 AromaticContact CE1-CD2 3.15Å; F39-H55 WeakPolarHBondContact CE1-CD2 3.28Å; F39-H55 AromaticContact CE1-CG 3.45Å; F39-H55 VanDerWaalsContact CE1-CG 3.45Å; F39-H55 AromaticContact CE1-NE2 3.68Å; F39-H55 HydrophobicContact CE2-CB 3.96Å; F39-H55 HydrophobicContact CG-CB 4.26Å; F39-H55 HydrophobicContact CZ-CB 3.82Å; F39-H55 AromaticContact CZ-CD2 3.69Å; F39-H55 AromaticContact CZ-CG 3.87Å
40L93.4Very high90.5Very high22 Ų2264.5 Ų64.512%0.11537%0.365CS..EExtended strand (participates in β ladder)trans-115.9136.2-172.9-54.2178.2000110.7P15 R18 L24 Y28 V29 K30P15-L40 HydrophobicContact CB-CD1 3.48Å; P15-L40 VanDerWaalsContact CB-CD1 3.48Å; P15-L40 HydrophobicContact CG-CD1 3.85Å; R18-L40 PolarHBondContact N-O 3.29Å; L24-L40 HydrophobicContact CD1-CB 3.51Å; L24-L40 HydrophobicContact CD1-CD1 4.34Å; Y28-L40 HydrophobicContact CD2-CD2 4.46Å; Y28-L40 HydrophobicContact CE2-CD1 4.23Å; Y28-L40 HydrophobicContact CE2-CD2 4.02Å; V29-L40 CarbonylContact O-C 3.59Å; V29-L40 WeakPolarHBondContact O-CA 3.47Å; K30-L40 HydrophobicContact CB-CD2 3.6Å; K30-L40 HydrophobicContact CD-CD2 4.25Å; K30-L40 HydrophobicContact CG-CD2 3.68Å
41L92.4Very high90.4Very high4 Ų465.7 Ų65.72%0.02137%0.371CS..EExtended strand (participates in β ladder)trans-131.5142.1-176.4-68.7176.8000111.4R18 V29 F39 C45 F46 F50R18-L41 HydrophobicContact CB-CD2 4.33Å; V29-L41 PolarHBondContact N-O 3.38Å; V29-L41 PolarHBondContact O-N 3.15Å; F39-L41 HydrophobicContact CD1-CD1 4.39Å; F39-L41 HydrophobicContact CD1-CD2 4.42Å; F39-L41 HydrophobicContact CD1-CG 4.1Å; F39-L41 HydrophobicContact CE1-CD1 3.98Å; F39-L41 HydrophobicContact CE1-CD2 3.72Å; F39-L41 HydrophobicContact CE1-CG 3.8Å; F39-L41 HydrophobicContact CZ-CD2 4.49Å; L41-C45 HydrophobicContact CD2-CB 4.03Å; L41-F46 HydrophobicContact CB-CB 4.4Å; L41-F46 HydrophobicContact CD1-CD2 4.38Å; L41-F50 HydrophobicContact CD2-CD1 3.81Å; L41-F50 HydrophobicContact CD2-CE1 4.47Å
42C93.6Very high90Very high20 Ų2071 Ų7114%0.13539%0.391CS..  trans-73.4157.1165.774.30000109.6C17 L24 Q44 C45 F46C17-C42 HydrophobicContact CB-CB 4.32Å; C17-C42 PolarHBondContact SG-N 2.9Å; L24-C42 HydrophobicContact CD2-CB 3.6Å; C42-Q44 PolarHBondContact O-N 3.11Å; C42-Q44 VanDerWaalsContact O-N 3.12Å; C42-C45 PolarHBondContact O-N 3.39Å; C42-C45 VanDerWaalsContact O-N 3.08Å; C42-C45 PolarHBondContact SG-N 3.49Å; C42-C45 VanDerWaalsContact SG-N 3.36Å; C42-F46 PolarHBondContact O-N 3.3Å
43L91.8Very high89.8Confident85 Ų8576.7 Ų76.745%0.44541%0.406SS..Hα-helixtrans-56-33.2-179.1-59.3178.2000112.9P27 V29 T47P27-L43 HydrophobicContact CG-CD1 4.27Å; V29-L43 HydrophobicContact CG2-CD2 4.08Å; L43-T47 WeakPolarHBondContact O-CB 3.5Å; L43-T47 VanDerWaalsContact O-CG2 3.29Å; L43-T47 WeakPolarHBondContact O-CG2 3.17Å; L43-T47 PolarHBondContact O-N 3.48Å; L43-T47 PolarHBondContact O-OG1 2.86Å
44Q92.9Very high89.5Confident133 Ų13380.3 Ų80.362%0.62142%0.42SS*.Hα-helixtrans-70.8-40.8178.7-63.9-179.93.700112.4C42 T47 R48C42-Q44 PolarHBondContact O-N 3.11Å; C42-Q44 VanDerWaalsContact O-N 3.12Å; Q44-T47 PolarHBondContact O-OG1 2.7Å; Q44-R48 WeakPolarHBondContact O-CB 3.31Å; Q44-R48 WeakPolarHBondContact O-CD 3.5Å; Q44-R48 VanDerWaalsContact O-CG 3.24Å; Q44-R48 WeakPolarHBondContact O-CG 3.49Å; Q44-R48 PolarHBondContact O-N 2.99Å
45C93.3Very high89.6Confident11 Ų1179.7 Ų79.77%0.07442%0.415CS..Hα-helixtrans-69.7-37.9175.3-74.40000111.2L41 C42 R48 F50L41-C45 HydrophobicContact CD2-CB 4.03Å; C42-C45 PolarHBondContact O-N 3.39Å; C42-C45 VanDerWaalsContact O-N 3.08Å; C42-C45 PolarHBondContact SG-N 3.49Å; C42-C45 VanDerWaalsContact SG-N 3.36Å; C45-R48 PolarHBondContact O-N 3.23Å; C45-F50 HydrophobicContact CB-CB 4.14Å; C45-F50 VanDerWaalsContact O-CB 3.22Å; C45-F50 WeakPolarHBondContact O-CB 3.22Å; C45-F50 PolarHBondContact O-N 2.78Å; C45-F50 VanDerWaalsContact O-N 3.09Å
46F93.6Very high90.1Very high53 Ų5380.7 Ų80.723%0.23240%0.404CS..Hα-helixtrans-63.6-50176.7-177.8-104.9000112.1V29 L41 C42 R48 G49 Y61V29-F46 HydrophobicContact CB-CB 4.48Å; V29-F46 HydrophobicContact CB-CD2 4.19Å; V29-F46 HydrophobicContact CB-CG 4.25Å; V29-F46 HydrophobicContact CG1-CD2 3.75Å; V29-F46 HydrophobicContact CG1-CE2 3.89Å; V29-F46 HydrophobicContact CG1-CG 4.26Å; V29-F46 HydrophobicContact CG1-CZ 4.5Å; V29-F46 HydrophobicContact CG2-CB 4.16Å; V29-F46 HydrophobicContact CG2-CD1 4.03Å; V29-F46 HydrophobicContact CG2-CD2 4.21Å; V29-F46 HydrophobicContact CG2-CG 3.85Å; L41-F46 HydrophobicContact CB-CB 4.4Å; L41-F46 HydrophobicContact CD1-CD2 4.38Å; C42-F46 PolarHBondContact O-N 3.3Å; F46-R48 PolarHBondContact O-N 3.05Å; F46-G49 PolarHBondContact O-N 2.92Å; F46-Y61 HydrophobicContact CE1-CE1 4.39Å; F46-Y61 HydrophobicContact CE1-CE2 4.33Å; F46-Y61 AromaticContact CE2-CD1 3.99Å; F46-Y61 HydrophobicContact CE2-CD1 3.99Å; F46-Y61 HydrophobicContact CE2-CD2 4.45Å; F46-Y61 HydrophobicContact CE2-CE1 4.41Å; F46-Y61 HydrophobicContact CE2-CG 4.02Å; F46-Y61 AromaticContact CZ-CD1 3.6Å; F46-Y61 HydrophobicContact CZ-CD1 3.6Å; F46-Y61 HydrophobicContact CZ-CD2 4.04Å; F46-Y61 AromaticContact CZ-CE1 3.57Å; F46-Y61 HydrophobicContact CZ-CE1 3.57Å; F46-Y61 HydrophobicContact CZ-CE2 4.01Å; F46-Y61 AromaticContact CZ-CG 3.85Å; F46-Y61 HydrophobicContact CZ-CG 3.85Å; F46-Y61 AromaticContact CZ-CZ 3.78Å
47T92.1Very high90.7Very high114 Ų11477.1 Ų77.170%0.69938%0.383SS*.Hα-helixtrans-66.3-22.1179.749.80000114.1L43 Q44 G49L43-T47 WeakPolarHBondContact O-CB 3.5Å; L43-T47 VanDerWaalsContact O-CG2 3.29Å; L43-T47 WeakPolarHBondContact O-CG2 3.17Å; L43-T47 PolarHBondContact O-N 3.48Å; L43-T47 PolarHBondContact O-OG1 2.86Å; Q44-T47 PolarHBondContact O-OG1 2.7Å; T47-G49 VanDerWaalsContact C-N 3.26Å
48R93.4Very high91.1Very high198 Ų19879.4 Ų79.475%0.74739%0.39SS*.THydrogen-bonded Turntrans-81-2.5172.1-72.7175-179.71752.6113.6Q44 C45 F46Q44-R48 WeakPolarHBondContact O-CB 3.31Å; Q44-R48 WeakPolarHBondContact O-CD 3.5Å; Q44-R48 VanDerWaalsContact O-CG 3.24Å; Q44-R48 WeakPolarHBondContact O-CG 3.49Å; Q44-R48 PolarHBondContact O-N 2.99Å; C45-R48 PolarHBondContact O-N 3.23Å; F46-R48 PolarHBondContact O-N 3.05Å
49G90.9Very high91.5Very high31 Ų3177.6 Ų77.632%0.3238%0.376SS..THydrogen-bonded Turntrans64.545.5-175.800000111.9F46 T47 E51F46-G49 PolarHBondContact O-N 2.92Å; T47-G49 VanDerWaalsContact C-N 3.26Å; G49-E51 PolarHBondContact O-N 2.74Å
50F91.4Very high91.6Very high58 Ų5880.6 Ų80.625%0.25440%0.396SS..  trans-65.1118.8-180179.8-94.5000111.4G19 F39 L41 C45 Y52 H55G19-F50 VanDerWaalsContact CA-CE1 3.46Å; G19-F50 VanDerWaalsContact CA-CZ 3.48Å; F39-F50 HydrophobicContact CZ-CD1 4.36Å; F39-F50 HydrophobicContact CZ-CE1 4.08Å; L41-F50 HydrophobicContact CD2-CD1 3.81Å; L41-F50 HydrophobicContact CD2-CE1 4.47Å; C45-F50 HydrophobicContact CB-CB 4.14Å; C45-F50 VanDerWaalsContact O-CB 3.22Å; C45-F50 WeakPolarHBondContact O-CB 3.22Å; C45-F50 PolarHBondContact O-N 2.78Å; C45-F50 VanDerWaalsContact O-N 3.09Å; F50-Y52 HydrophobicContact CE1-CG 4.47Å; F50-Y52 HydrophobicContact CZ-CD2 4.48Å; F50-Y52 HydrophobicContact CZ-CG 4.46Å; F50-H55 PolarHBondContact O-CD2 3.25Å; F50-H55 VanDerWaalsContact O-CD2 3.3Å; F50-H55 PolarHBondContact O-NE2 3.41Å
51E91.7Very high91.6Very high93 Ų9385.2 Ų85.244%0.43541%0.413SS..  trans-113.8141178.6-66.3179.8168.700110.7G49 Q56 S57G49-E51 PolarHBondContact O-N 2.74Å; E51-Q56 PolarHBondContact OE2-OE1 3.11Å; E51-S57 VanDerWaalsContact OE1-CB 3.26Å; E51-S57 WeakPolarHBondContact OE1-CB 3.49Å; E51-S57 PolarHBondContact OE1-N 3.39Å; E51-S57 PolarHBondContact OE1-OG 3.38Å
52Y85.1Confident91.6Very high118 Ų11889.2 Ų89.246%0.46343%0.431SS..BIsolated β-bridgetrans-154.6122.8179.4-173.5-104000112.5F39 F50 K54 H55F39-Y52 HydrophobicContact CE2-CD1 4.27Å; F50-Y52 HydrophobicContact CE1-CG 4.47Å; F50-Y52 HydrophobicContact CZ-CD2 4.48Å; F50-Y52 HydrophobicContact CZ-CG 4.46Å; Y52-K54 PolarHBondContact O-N 3.47Å; Y52-H55 PolarHBondContact N-O 3.32Å; Y52-H55 VanDerWaalsContact N-O 3.14Å; Y52-H55 WeakPolarHBondContact O-CB 3.44Å; Y52-H55 PolarHBondContact O-N 2.76Å
53K85.9Confident91.4Very high170 Ų17093 Ų9374%0.73945%0.449SS*.THydrogen-bonded Turntrans53.8-101.6-179.2-65.3179.3176.2171.70112.1
54K87.2Confident91.3Very high185 Ų18592 Ų9280%0.80444%0.442SS*.THydrogen-bonded Turntrans-93.9-10.4-177-65.6-174.9177.3-176.70112.7Y52 H59Y52-K54 PolarHBondContact O-N 3.47Å; K54-H59 PolarHBondContact O-CE1 2.83Å
55H91.4Very high90.9Very high10 Ų1088 Ų885%0.04643%0.427CS..BIsolated β-bridgetrans-86.8126.4177.6177.663000110.5C31 F39 F50 Y52 H59C31-H55 PolarHBondContact SG-ND1 2.97Å; F39-H55 HydrophobicContact CD1-CB 4.14Å; F39-H55 AromaticContact CD1-CD2 3.73Å; F39-H55 AromaticContact CD1-CG 3.65Å; F39-H55 AromaticContact CD1-ND1 3.91Å; F39-H55 AromaticContact CD1-NE2 4Å; F39-H55 HydrophobicContact CD2-CB 4.18Å; F39-H55 HydrophobicContact CE1-CB 3.91Å; F39-H55 AromaticContact CE1-CD2 3.15Å; F39-H55 WeakPolarHBondContact CE1-CD2 3.28Å; F39-H55 AromaticContact CE1-CG 3.45Å; F39-H55 VanDerWaalsContact CE1-CG 3.45Å; F39-H55 AromaticContact CE1-NE2 3.68Å; F39-H55 HydrophobicContact CE2-CB 3.96Å; F39-H55 HydrophobicContact CG-CB 4.26Å; F39-H55 HydrophobicContact CZ-CB 3.82Å; F39-H55 AromaticContact CZ-CD2 3.69Å; F39-H55 AromaticContact CZ-CG 3.87Å; F50-H55 PolarHBondContact O-CD2 3.25Å; F50-H55 VanDerWaalsContact O-CD2 3.3Å; F50-H55 PolarHBondContact O-NE2 3.41Å; Y52-H55 PolarHBondContact N-O 3.32Å; Y52-H55 VanDerWaalsContact N-O 3.14Å; Y52-H55 WeakPolarHBondContact O-CB 3.44Å; Y52-H55 PolarHBondContact O-N 2.76Å; H55-H59 AromaticContact ND1-ND1 3.64Å
56Q92.5Very high90.4Very high78 Ų7888.6 Ų88.636%0.36443%0.432SS..  trans-111.9153.8172.6-57.8-63.6-33.900110.2E51 D58 H59E51-Q56 PolarHBondContact OE2-OE1 3.11Å; Q56-D58 WeakPolarHBondContact CB-OD1 3.46Å; Q56-D58 PolarHBondContact O-N 2.89Å; Q56-H59 PolarHBondContact N-CE1 3.5Å; Q56-H59 WeakPolarHBondContact O-CB 3.43Å; Q56-H59 PolarHBondContact O-N 3.44Å
57S91.3Very high89.9Confident58 Ų5890.7 Ų90.741%0.40645%0.446SS..THydrogen-bonded Turntrans-71.8-13.9-175.658.70000113.7E51E51-S57 VanDerWaalsContact OE1-CB 3.26Å; E51-S57 WeakPolarHBondContact OE1-CB 3.49Å; E51-S57 PolarHBondContact OE1-N 3.39Å; E51-S57 PolarHBondContact OE1-OG 3.38Å
58D91.3Very high89.5Confident137 Ų13790.3 Ų90.373%0.73343%0.434SS*.THydrogen-bonded Turntrans-93.9-1.8177.665.6-15.7000113.9Q56Q56-D58 WeakPolarHBondContact CB-OD1 3.46Å; Q56-D58 PolarHBondContact O-N 2.89Å
59H94.6Very high89Confident31 Ų3184.7 Ų84.714%0.14442%0.423CS..SBendtrans-60.2143.5175.5-74.1-171000111.8C31 E33 C34 K54 H55 Q56C31-H59 VanDerWaalsContact SG-CB 3.55Å; C31-H59 PolarHBondContact SG-ND1 2.85Å; C31-H59 VanDerWaalsContact SG-ND1 3.44Å; E33-H59 HydrophobicContact CB-CB 4.46Å; E33-H59 HydrophobicContact CG-CB 4.5Å; E33-H59 IonicContact OE2-CD2 3.93Å; E33-H59 IonicContact OE2-CG 3.05Å; E33-H59 IonicContact OE2-NE2 2.65Å; C34-H59 VanDerWaalsContact SG-CE1 3.59Å; C34-H59 PolarHBondContact SG-ND1 3.25Å; C34-H59 VanDerWaalsContact SG-ND1 3.37Å; K54-H59 PolarHBondContact O-CE1 2.83Å; H55-H59 AromaticContact ND1-ND1 3.64Å; Q56-H59 PolarHBondContact N-CE1 3.5Å; Q56-H59 WeakPolarHBondContact O-CB 3.43Å; Q56-H59 PolarHBondContact O-N 3.44Å
60T94.3Very high88.4Confident83 Ų8387.1 Ų87.151%0.50943%0.432SS..  trans-58.4143.4169.654.50000110.9A32 E33A32-T60 WeakPolarHBondContact CB-O 3.4Å; A32-T60 PolarHBondContact N-O 3.36Å; E33-T60 VanDerWaalsContact CG-OG1 3.32Å; E33-T60 WeakPolarHBondContact CG-OG1 3.39Å; E33-T60 WeakPolarHBondContact OE1-CB 3.23Å; E33-T60 PolarHBondContact OE1-N 3.26Å; E33-T60 PolarHBondContact OE1-OG1 2.93Å
61Y92.8Very high87.9Confident120 Ų12086.2 Ų86.247%0.47143%0.43SS..EExtended strand (participates in β ladder)trans-142155.2-17069.6-90.6000112.4V29 K30 F46 I63V29-Y61 HydrophobicContact CG1-CD2 3.82Å; V29-Y61 HydrophobicContact CG1-CG 4.02Å; K30-Y61 CarbonylContact O-C 3.44Å; K30-Y61 WeakPolarHBondContact O-CA 3.49Å; F46-Y61 HydrophobicContact CE1-CE1 4.39Å; F46-Y61 HydrophobicContact CE1-CE2 4.33Å; F46-Y61 AromaticContact CE2-CD1 3.99Å; F46-Y61 HydrophobicContact CE2-CD1 3.99Å; F46-Y61 HydrophobicContact CE2-CD2 4.45Å; F46-Y61 HydrophobicContact CE2-CE1 4.41Å; F46-Y61 HydrophobicContact CE2-CG 4.02Å; F46-Y61 AromaticContact CZ-CD1 3.6Å; F46-Y61 HydrophobicContact CZ-CD1 3.6Å; F46-Y61 HydrophobicContact CZ-CD2 4.04Å; F46-Y61 AromaticContact CZ-CE1 3.57Å; F46-Y61 HydrophobicContact CZ-CE1 3.57Å; F46-Y61 HydrophobicContact CZ-CE2 4.01Å; F46-Y61 AromaticContact CZ-CG 3.85Å; F46-Y61 HydrophobicContact CZ-CG 3.85Å; F46-Y61 AromaticContact CZ-CZ 3.78Å; Y61-I63 HydrophobicContact CD2-CG1 4.18Å; Y61-I63 HydrophobicContact CE2-CD1 4.18Å; Y61-I63 HydrophobicContact CE2-CG1 3.89Å
62E91.8Very high87.3Confident87 Ų8783.1 Ų83.141%0.40742%0.416SS..EExtended strand (participates in β ladder)trans-116136.2176.1-64.2173171.400108.6K30 A32K30-E62 HydrophobicContact CB-CB 4.44Å; K30-E62 PolarHBondContact N-O 3.31Å; K30-E62 IonicContact NZ-OE2 3.21Å; K30-E62 PolarHBondContact NZ-OE2 2.88Å; K30-E62 PolarHBondContact O-N 2.93Å; A32-E62 HydrophobicContact CB-CG 4.46Å
63I90.3Very high87.2Confident101 Ų10182.7 Ų82.752%0.51843%0.427SS..EExtended strand (participates in β ladder)trans-93.8119.2172.8-58.1175.1000107.7P27 Y61 T65P27-I63 HydrophobicContact CB-CG2 4.28Å; Y61-I63 HydrophobicContact CD2-CG1 4.18Å; Y61-I63 HydrophobicContact CE2-CD1 4.18Å; Y61-I63 HydrophobicContact CE2-CG1 3.89Å; I63-T65 HydrophobicContact CG2-CG2 4.49Å
64M88.9Confident87.1Confident62 Ų6280.3 Ų80.331%0.30542%0.423SS..EExtended strand (participates in β ladder)trans-89.4115.6176.9-56.2-56.4-58.900108.8P27 Y28 K30P27-M64 VanDerWaalsContact CA-O 3.22Å; P27-M64 WeakPolarHBondContact CA-O 3.44Å; Y28-M64 HydrophobicContact CD1-CB 4.25Å; Y28-M64 HydrophobicContact CD2-CB 4.06Å; Y28-M64 HydrophobicContact CD2-CG 4.05Å; Y28-M64 HydrophobicContact CE1-CB 3.93Å; Y28-M64 HydrophobicContact CE2-CB 3.74Å; Y28-M64 HydrophobicContact CE2-CG 3.56Å; Y28-M64 HydrophobicContact CG-CB 4.3Å; Y28-M64 PolarHBondContact N-O 3.03Å; Y28-M64 PolarHBondContact O-N 3.42Å; K30-M64 HydrophobicContact CB-CG 4.07Å; K30-M64 HydrophobicContact CB-SD 4.33Å; K30-M64 HydrophobicContact CD-SD 4.2Å
65T86.3Confident87.1Confident50 Ų5072.2 Ų72.231%0.30739%0.387SS..  trans-153.1142.9177.1174.30000109.8I63 D67 F68I63-T65 HydrophobicContact CG2-CG2 4.49Å; T65-D67 PolarHBondContact OG1-N 3.46Å; T65-F68 WeakPolarHBondContact O-CD1 3.38Å; T65-F68 WeakPolarHBondContact O-CE1 3.28Å
66S82.4Confident86.9Confident24 Ų2473.6 Ų73.617%0.16840%0.397CS..  trans-105.210.9174.4-52.80000113.1E26 F68 A77 Q78E26-S66 VanDerWaalsContact OE2-CB 3.26Å; E26-S66 WeakPolarHBondContact OE2-CB 3.41Å; E26-S66 PolarHBondContact OE2-N 2.97Å; E26-S66 PolarHBondContact OE2-OG 2.63Å; S66-F68 VanDerWaalsContact C-N 3.26Å; S66-F68 PolarHBondContact O-N 2.88Å; S66-F68 VanDerWaalsContact O-N 3.13Å; S66-A77 WeakPolarHBondContact O-CB 3.38Å; S66-A77 PolarHBondContact O-N 3.45Å; S66-Q78 PolarHBondContact O-N 2.97Å; S66-Q78 VanDerWaalsContact O-N 3.15Å
67D83.1Confident86.5Confident97 Ų9770.6 Ų70.652%0.51939%0.385SS..  trans-87.946-176.8-63.5-42.7000112.7T65T65-D67 PolarHBondContact OG1-N 3.46Å
68F82.5Confident86.3Confident106 Ų10673 Ų7347%0.46539%0.39SS..SBendtrans-135.9147.617965.6-88.5000111.2T65 S66 V70 T76 A77T65-F68 WeakPolarHBondContact O-CD1 3.38Å; T65-F68 WeakPolarHBondContact O-CE1 3.28Å; S66-F68 VanDerWaalsContact C-N 3.26Å; S66-F68 PolarHBondContact O-N 2.88Å; S66-F68 VanDerWaalsContact O-N 3.13Å; F68-V70 HydrophobicContact CD2-CG2 4.22Å; F68-V70 HydrophobicContact CE2-CG2 3.79Å; F68-V70 HydrophobicContact CZ-CG2 4.5Å; F68-T76 CarbonylContact O-C 3.51Å; F68-T76 WeakPolarHBondContact O-CA 3.29Å; F68-A77 HydrophobicContact CD1-CB 4.48Å; F68-A77 HydrophobicContact CE1-CB 4.09Å; F68-A77 HydrophobicContact CE2-CB 4.23Å; F68-A77 HydrophobicContact CZ-CB 3.95Å; F68-A77 PolarHBondContact O-N 3.31Å
69P84.3Confident86.2Confident79 Ų7967.9 Ų67.951%0.51336%0.361SS..BIsolated β-bridgetrans-73.6139-179.928.8-33.3000112.4D72 W75P69-D72 WeakPolarHBondContact CB-O 3.34Å; P69-W75 VanDerWaalsContact CA-O 3.22Å; P69-W75 WeakPolarHBondContact CA-O 3.43Å
70V78.1Confident85.9Confident82 Ų8267 Ų6750%0.49736%0.357SS..SBendtrans-109.8-61.7-179.5-175.30000111.6F68 A77F68-V70 HydrophobicContact CD2-CG2 4.22Å; F68-V70 HydrophobicContact CE2-CG2 3.79Å; F68-V70 HydrophobicContact CZ-CG2 4.5Å; V70-A77 HydrophobicContact CG2-CB 3.44Å; V70-A77 VanDerWaalsContact CG2-CB 3.44Å
71L79.8Confident85.6Confident40 Ų4068.4 Ų68.421%0.20936%0.359CS..SBendtrans-105.1-35.3-172.8-57.4176.2000112.6H117 F118L71-H117 HydrophobicContact CD1-CB 4.19Å; L71-F118 HydrophobicContact CD1-CE1 4.33Å; L71-F118 HydrophobicContact CD1-CE2 4.04Å; L71-F118 HydrophobicContact CD1-CZ 3.72Å
72D79.3Confident85.4Confident28 Ų2864.3 Ų64.315%0.1535%0.35CS..SBendtrans-131.4137.3176.9-168.6-60.9000108.9P69 N74 W75 K116 H117P69-D72 WeakPolarHBondContact CB-O 3.34Å; D72-N74 PolarHBondContact O-N 3.46Å; D72-N74 WeakPolarHBondContact OD1-CB 3.23Å; D72-N74 PolarHBondContact OD1-N 2.89Å; D72-W75 HydrophobicContact CB-CB 4.27Å; D72-W75 HydrophobicContact CB-CG 4.37Å; D72-W75 PolarHBondContact O-N 3.21Å; D72-W75 VanDerWaalsContact O-O 3.1Å; D72-K116 IonicContact OD2-NZ 2.98Å; D72-H117 IonicContact OD2-NE2 3.2Å
73P83.1Confident85.3Confident108 Ų10860.1 Ų60.170%0.70133%0.331SS*.THydrogen-bonded Turntrans-57.7-20178.623.5-35.7000114.1
74N84.1Confident85.3Confident121 Ų12158.8 Ų58.865%0.64732%0.324SS*.THydrogen-bonded Turntrans-93.21.5178.4-60.5-41000113.8D72 K105D72-N74 PolarHBondContact O-N 3.46Å; D72-N74 WeakPolarHBondContact OD1-CB 3.23Å; D72-N74 PolarHBondContact OD1-N 2.89Å; N74-K105 PolarHBondContact O-NZ 3.03Å
75W86.8Confident85.3Confident15 Ų1558 Ų586%0.05732%0.32CS..SBendtrans-125.3120.3-176.7-76.477.5000111P69 D72 E79 E80 L83 M102 K105 H113P69-W75 VanDerWaalsContact CA-O 3.22Å; P69-W75 WeakPolarHBondContact CA-O 3.43Å; D72-W75 HydrophobicContact CB-CB 4.27Å; D72-W75 HydrophobicContact CB-CG 4.37Å; D72-W75 PolarHBondContact O-N 3.21Å; D72-W75 VanDerWaalsContact O-O 3.1Å; W75-E79 WeakPolarHBondContact CA-OE2 3.47Å; W75-E79 HydrophobicContact CE3-CB 3.85Å; W75-E79 HydrophobicContact CZ3-CB 4.34Å; W75-E80 WeakPolarHBondContact CB-OE1 3.42Å; W75-L83 HydrophobicContact CH2-CD1 4.49Å; W75-L83 HydrophobicContact CH2-CD2 3.98Å; W75-L83 HydrophobicContact CZ3-CB 4.17Å; W75-L83 HydrophobicContact CZ3-CD2 3.83Å; W75-L83 HydrophobicContact CZ3-CG 4.43Å; W75-M102 HydrophobicContact CH2-CE 4.24Å; W75-M102 HydrophobicContact CZ3-CE 3.67Å; W75-K105 HydrophobicContact CH2-CB 4.08Å; W75-K105 HydrophobicContact CH2-CD 4.41Å; W75-K105 HydrophobicContact CH2-CG 3.64Å; W75-K105 HydrophobicContact CZ2-CB 4.3Å; W75-K105 HydrophobicContact CZ2-CD 4.1Å; W75-K105 HydrophobicContact CZ2-CG 3.8Å; W75-K105 HydrophobicContact CZ3-CG 4.06Å; W75-H113 AromaticContact CD1-CE1 3.59Å; W75-H113 AromaticContact CD1-ND1 3.61Å; W75-H113 AromaticContact CD2-CD2 3.62Å; W75-H113 AromaticContact CD2-CE1 3.8Å; W75-H113 AromaticContact CD2-CG 3.84Å; W75-H113 AromaticContact CD2-ND1 4Å; W75-H113 AromaticContact CD2-NE2 3.59Å; W75-H113 AromaticContact CE2-CD2 3.67Å; W75-H113 AromaticContact CE2-CG 3.43Å; W75-H113 VanDerWaalsContact CE2-CG 3.43Å; W75-H113 AromaticContact CE2-ND1 3.71Å; W75-H113 AromaticContact CE3-CD2 3.75Å; W75-H113 AromaticContact CE3-NE2 3.86Å; W75-H113 AromaticContact CG-CE1 3.55Å; W75-H113 AromaticContact CG-ND1 3.95Å; W75-H113 AromaticContact CG-NE2 3.73Å; W75-H113 HydrophobicContact CH2-CB 4.11Å; W75-H113 AromaticContact CH2-CD2 3.99Å; W75-H113 HydrophobicContact CZ2-CB 3.49Å; W75-H113 VanDerWaalsContact CZ2-CB 3.49Å; W75-H113 AromaticContact CZ2-CD2 3.87Å; W75-H113 AromaticContact CZ2-CG 3.63Å; W75-H113 AromaticContact CZ3-CD2 3.94Å; W75-H113 AromaticContact NE1-CE1 3.85Å; W75-H113 AromaticContact NE1-CG 3.65Å; W75-H113 AromaticContact NE1-ND1 3.44Å; W75-H113 PolarHBondContact NE1-ND1 3.18Å
76T87.6Confident85.4Confident39 Ų3955.6 Ų55.624%0.23931%0.305CS..BIsolated β-bridgetrans-80157.7176.565.60000111.8F68 Q78 E79 E80F68-T76 CarbonylContact O-C 3.51Å; F68-T76 WeakPolarHBondContact O-CA 3.29Å; T76-Q78 PolarHBondContact O-N 3.14Å; T76-E79 PolarHBondContact N-OE2 3.39Å; T76-E79 VanDerWaalsContact N-OE2 3.1Å; T76-E79 WeakPolarHBondContact O-CA 3.27Å; T76-E79 WeakPolarHBondContact O-CB 3.44Å; T76-E79 PolarHBondContact O-N 2.85Å; T76-E79 WeakPolarHBondContact OG1-CG 3.46Å; T76-E79 PolarHBondContact OG1-N 2.97Å; T76-E80 WeakPolarHBondContact O-CG 3.48Å; T76-E80 PolarHBondContact O-N 3.5Å
77A83.9Confident85.8Confident14 Ų1455 Ų5512%0.11630%0.3CS..Hα-helixtrans-53.7-37.7174.700000111.9S66 F68 V70 E80 M81S66-A77 WeakPolarHBondContact O-CB 3.38Å; S66-A77 PolarHBondContact O-N 3.45Å; F68-A77 HydrophobicContact CD1-CB 4.48Å; F68-A77 HydrophobicContact CE1-CB 4.09Å; F68-A77 HydrophobicContact CE2-CB 4.23Å; F68-A77 HydrophobicContact CZ-CB 3.95Å; F68-A77 PolarHBondContact O-N 3.31Å; V70-A77 HydrophobicContact CG2-CB 3.44Å; V70-A77 VanDerWaalsContact CG2-CB 3.44Å; A77-E80 PolarHBondContact O-N 3.49Å; A77-M81 WeakPolarHBondContact O-CG 3.46Å; A77-M81 PolarHBondContact O-N 3.08Å
78Q86.5Confident86.1Confident110 Ų11056.8 Ų56.851%0.51431%0.307SS..Hα-helixtrans-63.1-42.4173.9-170.8177.5-11.500112.6S66 T76 M81 A82S66-Q78 PolarHBondContact O-N 2.97Å; S66-Q78 VanDerWaalsContact O-N 3.15Å; T76-Q78 PolarHBondContact O-N 3.14Å; Q78-M81 PolarHBondContact O-N 3.28Å; Q78-A82 VanDerWaalsContact O-CB 3.32Å; Q78-A82 WeakPolarHBondContact O-CB 3.4Å; Q78-A82 PolarHBondContact O-N 2.63Å
79E89.8Confident86.3Confident29 Ų2955 Ų5514%0.13630%0.303CS..Hα-helixtrans-67.2-37176-70.9177.9141.700111.9W75 T76 A82 L83 M102 T104 K105W75-E79 WeakPolarHBondContact CA-OE2 3.47Å; W75-E79 HydrophobicContact CE3-CB 3.85Å; W75-E79 HydrophobicContact CZ3-CB 4.34Å; T76-E79 PolarHBondContact N-OE2 3.39Å; T76-E79 VanDerWaalsContact N-OE2 3.1Å; T76-E79 WeakPolarHBondContact O-CA 3.27Å; T76-E79 WeakPolarHBondContact O-CB 3.44Å; T76-E79 PolarHBondContact O-N 2.85Å; T76-E79 WeakPolarHBondContact OG1-CG 3.46Å; T76-E79 PolarHBondContact OG1-N 2.97Å; E79-A82 PolarHBondContact O-N 3.01Å; E79-L83 WeakPolarHBondContact O-CB 3.47Å; E79-L83 PolarHBondContact O-N 3.3Å; E79-M102 HydrophobicContact CB-CE 4.32Å; E79-M102 VanDerWaalsContact O-CE 3.3Å; E79-M102 WeakPolarHBondContact O-CE 3.39Å; E79-T104 WeakPolarHBondContact OE1-CB 3.48Å; E79-T104 PolarHBondContact OE1-OG1 2.67Å; E79-K105 VanDerWaalsContact CD-CE 3.43Å; E79-K105 WeakPolarHBondContact OE1-CE 3.37Å; E79-K105 IonicContact OE1-NZ 2.88Å; E79-K105 PolarHBondContact OE1-NZ 2.96Å; E79-K105 VanDerWaalsContact OE2-CE 3.25Å; E79-K105 WeakPolarHBondContact OE2-CE 3.42Å; E79-K105 IonicContact OE2-NZ 2.81Å; E79-K105 PolarHBondContact OE2-NZ 3.1Å
80E89Confident86.5Confident12 Ų1253 Ų536%0.05629%0.29CS..Hα-helixtrans-62.7-45.9175.6-61.8-71.5-174.200111.4W75 T76 A77 L83 L84 H113W75-E80 WeakPolarHBondContact CB-OE1 3.42Å; T76-E80 WeakPolarHBondContact O-CG 3.48Å; T76-E80 PolarHBondContact O-N 3.5Å; A77-E80 PolarHBondContact O-N 3.49Å; E80-L83 PolarHBondContact O-N 3.4Å; E80-L84 WeakPolarHBondContact O-CG 3.4Å; E80-L84 PolarHBondContact O-N 2.94Å; E80-H113 IonicContact OE1-CE1 3.61Å; E80-H113 PolarHBondContact OE1-CE1 3.4Å; E80-H113 VanDerWaalsContact OE1-CE1 3.31Å; E80-H113 IonicContact OE1-NE2 2.79Å; E80-H113 PolarHBondContact OE1-NE2 3.33Å; E80-H113 IonicContact OE2-CD2 2.58Å; E80-H113 IonicContact OE2-CE1 2.72Å; E80-H113 IonicContact OE2-NE2 3.89Å; E80-H113 PolarHBondContact OE2-NE2 2.96Å
81M86.4Confident86.8Confident112 Ų11250.6 Ų50.655%0.55228%0.282SS*.Hα-helixtrans-63.6-46.9176.5-71.6-174.260.400111.7A77 Q78 L83 L84 E85A77-M81 WeakPolarHBondContact O-CG 3.46Å; A77-M81 PolarHBondContact O-N 3.08Å; Q78-M81 PolarHBondContact O-N 3.28Å; M81-L83 PolarHBondContact O-N 2.97Å; M81-L84 PolarHBondContact O-N 3.41Å; M81-E85 PolarHBondContact O-N 2.87Å
82A88.5Confident87.2Confident34 Ų3454.4 Ų54.428%0.28130%0.297SS..Hα-helixtrans-60.1-35.4178.400000112Q78 E79 A86 M102Q78-A82 VanDerWaalsContact O-CB 3.32Å; Q78-A82 WeakPolarHBondContact O-CB 3.4Å; Q78-A82 PolarHBondContact O-N 2.63Å; E79-A82 PolarHBondContact O-N 3.01Å; A82-A86 WeakPolarHBondContact O-CB 3.34Å; A82-A86 PolarHBondContact O-N 2.94Å; A82-M102 HydrophobicContact CB-CE 4.35Å; A82-M102 HydrophobicContact CB-SD 3.45Å; A82-M102 WeakPolarHBondContact CB-SD 3.05Å
83L91Very high87.4Confident0 Ų055.2 Ų55.20%031%0.312CS..Hα-helixtrans-66.1-44.8178.1179.266000111.1W75 E79 E80 M81 A86 V87 V98 M102 C110 Y114W75-L83 HydrophobicContact CH2-CD1 4.49Å; W75-L83 HydrophobicContact CH2-CD2 3.98Å; W75-L83 HydrophobicContact CZ3-CB 4.17Å; W75-L83 HydrophobicContact CZ3-CD2 3.83Å; W75-L83 HydrophobicContact CZ3-CG 4.43Å; E79-L83 WeakPolarHBondContact O-CB 3.47Å; E79-L83 PolarHBondContact O-N 3.3Å; E80-L83 PolarHBondContact O-N 3.4Å; M81-L83 PolarHBondContact O-N 2.97Å; L83-A86 PolarHBondContact O-N 2.92Å; L83-V87 HydrophobicContact CD1-CG2 4.39Å; L83-V87 WeakPolarHBondContact O-CB 3.41Å; L83-V87 VanDerWaalsContact O-CG2 3.26Å; L83-V87 WeakPolarHBondContact O-CG2 3.44Å; L83-V87 PolarHBondContact O-N 2.88Å; L83-V98 HydrophobicContact CD1-CG1 3.79Å; L83-M102 WeakPolarHBondContact CA-SD 3.45Å; L83-M102 HydrophobicContact CB-CE 3.89Å; L83-M102 HydrophobicContact CB-SD 3.99Å; L83-M102 HydrophobicContact CD1-CG 4.48Å; L83-M102 PolarHBondContact N-SD 2.89Å; L83-C110 HydrophobicContact CD1-CB 3.75Å; L83-Y114 HydrophobicContact CD2-CD2 4.33Å; L83-Y114 HydrophobicContact CG-CD2 4.48Å
84L90.3Very high87.8Confident73 Ų7353 Ų5338%0.38229%0.294SS..Hα-helixtrans-66.1-42.4179-65.9179.7000111.8E80 M81 V87 M88 Y114 F118E80-L84 WeakPolarHBondContact O-CG 3.4Å; E80-L84 PolarHBondContact O-N 2.94Å; M81-L84 PolarHBondContact O-N 3.41Å; L84-V87 PolarHBondContact O-N 3.3Å; L84-M88 WeakPolarHBondContact O-CB 3.48Å; L84-M88 PolarHBondContact O-N 3.47Å; L84-Y114 HydrophobicContact CD2-CD2 4.35Å; L84-Y114 HydrophobicContact CD2-CE2 3.78Å; L84-F118 HydrophobicContact CD1-CE1 3.95Å; L84-F118 HydrophobicContact CD1-CZ 4.36Å; L84-F118 HydrophobicContact CD2-CD1 4.01Å; L84-F118 HydrophobicContact CD2-CE1 3.77Å; L84-F118 HydrophobicContact CD2-CZ 4.07Å; L84-F118 HydrophobicContact CG-CE1 4.23Å; L84-F118 HydrophobicContact CG-CZ 4.35Å
85E87.9Confident88.2Confident45 Ų4548 Ų4821%0.2127%0.266CS..Hα-helixtrans-59.6-48.4173-73179.1-170.800110.9S8 M81 V87 M88 D89S8-E85 WeakPolarHBondContact CB-OE2 3.44Å; S8-E85 PolarHBondContact OG-OE2 3.39Å; M81-E85 PolarHBondContact O-N 2.87Å; E85-V87 VanDerWaalsContact C-N 3.34Å; E85-V87 PolarHBondContact O-N 3.2Å; E85-M88 WeakPolarHBondContact O-CB 3.41Å; E85-M88 PolarHBondContact O-N 2.89Å; E85-M88 VanDerWaalsContact O-N 3.14Å; E85-D89 PolarHBondContact O-N 3.48Å
86A89.4Confident88.4Confident0 Ų051.6 Ų51.60%028%0.284CS..Hα-helixtrans-63.5-37.4179.800000112.7A82 L83 C90 V98 Q101 M102A82-A86 WeakPolarHBondContact O-CB 3.34Å; A82-A86 PolarHBondContact O-N 2.94Å; L83-A86 PolarHBondContact O-N 2.92Å; A86-C90 WeakPolarHBondContact O-CB 3.3Å; A86-C90 PolarHBondContact O-N 3.45Å; A86-V98 HydrophobicContact CB-CB 4.45Å; A86-V98 HydrophobicContact CB-CG1 3.9Å; A86-Q101 HydrophobicContact CB-CB 4.02Å; A86-Q101 HydrophobicContact CB-CG 3.95Å; A86-M102 HydrophobicContact CB-CG 4.27Å
87V91.1Very high88.5Confident10 Ų1053.2 Ų53.26%0.06129%0.291CS..Hα-helixtrans-68.8-36.7174.3170.80000111.6L83 L84 E85 G91 F92 W95 V98 Y114L83-V87 HydrophobicContact CD1-CG2 4.39Å; L83-V87 WeakPolarHBondContact O-CB 3.41Å; L83-V87 VanDerWaalsContact O-CG2 3.26Å; L83-V87 WeakPolarHBondContact O-CG2 3.44Å; L83-V87 PolarHBondContact O-N 2.88Å; L84-V87 PolarHBondContact O-N 3.3Å; E85-V87 VanDerWaalsContact C-N 3.34Å; E85-V87 PolarHBondContact O-N 3.2Å; V87-G91 CarbonylContact O-C 3.57Å; V87-G91 VanDerWaalsContact O-CA 3.22Å; V87-G91 WeakPolarHBondContact O-CA 3.36Å; V87-G91 PolarHBondContact O-N 2.78Å; V87-F92 HydrophobicContact CG1-CB 4.4Å; V87-W95 HydrophobicContact CG2-CH2 4.34Å; V87-W95 HydrophobicContact CG2-CZ3 3.75Å; V87-V98 HydrophobicContact CG2-CG1 4.02Å; V87-V98 HydrophobicContact CG2-CG2 4.08Å; V87-Y114 HydrophobicContact CB-CE2 4.34Å; V87-Y114 HydrophobicContact CG1-CE2 4.06Å; V87-Y114 HydrophobicContact CG2-CD2 4.1Å; V87-Y114 HydrophobicContact CG2-CE2 4.11Å
88M88.1Confident88.8Confident136 Ų13652.6 Ų52.667%0.6729%0.285SS*.Hα-helixtrans-64.8-44.1175.2-177.2179.566.200111.5L84 E85L84-M88 WeakPolarHBondContact O-CB 3.48Å; L84-M88 PolarHBondContact O-N 3.47Å; E85-M88 WeakPolarHBondContact O-CB 3.41Å; E85-M88 PolarHBondContact O-N 2.89Å; E85-M88 VanDerWaalsContact O-N 3.14Å
89D86.5Confident89Confident68 Ų6847.8 Ų47.836%0.36427%0.265SS..Hα-helixtrans-74.6-48-178.5-69.5-20.1000112.6E85 Q101E85-D89 PolarHBondContact O-N 3.48Å; D89-Q101 PolarHBondContact OD2-NE2 2.95Å
90C88.9Confident89Confident36 Ų3651 Ų5124%0.24328%0.283CS..Hα-helixtrans-87.6-14.8-173.8-63.10000113.7A86 D97 V98 Q101A86-C90 WeakPolarHBondContact O-CB 3.3Å; A86-C90 PolarHBondContact O-N 3.45Å; C90-D97 HydrophobicContact CB-CB 4.08Å; C90-V98 HydrophobicContact CB-CG2 3.83Å; C90-Q101 PolarHBondContact SG-OE1 2.5Å
91G85.1Confident88.9Confident32 Ų3253.5 Ų53.533%0.3330%0.295SS..  trans84.2143.6-176.800000113.9V87 G93 N94V87-G91 CarbonylContact O-C 3.57Å; V87-G91 VanDerWaalsContact O-CA 3.22Å; V87-G91 WeakPolarHBondContact O-CA 3.36Å; V87-G91 PolarHBondContact O-N 2.78Å; G91-G93 PolarHBondContact O-N 3.01Å; G91-N94 PolarHBondContact O-N 3.46Å
92F87.7Confident88.8Confident120 Ų12048.8 Ų48.853%0.52627%0.271SS..THydrogen-bonded Turntrans-60.2131.5178178.3-96.1000112.1V87 W95 Y114 M115V87-F92 HydrophobicContact CG1-CB 4.4Å; F92-W95 HydrophobicContact CD2-CH2 4.07Å; F92-W95 HydrophobicContact CD2-CZ2 4.07Å; F92-W95 HydrophobicContact CE2-CH2 4.14Å; F92-W95 AromaticContact CE2-CZ2 3.94Å; F92-W95 HydrophobicContact CE2-CZ2 3.94Å; F92-Y114 HydrophobicContact CD2-CD1 4.24Å; F92-Y114 AromaticContact CD2-CE1 3.68Å; F92-Y114 HydrophobicContact CD2-CE1 3.68Å; F92-Y114 AromaticContact CE2-CD1 3.85Å; F92-Y114 HydrophobicContact CE2-CD1 3.85Å; F92-Y114 AromaticContact CE2-CE1 3.5Å; F92-Y114 HydrophobicContact CE2-CE1 3.5Å; F92-Y114 VanDerWaalsContact CE2-CE1 3.5Å; F92-M115 HydrophobicContact CE1-CE 4.21Å; F92-M115 HydrophobicContact CE2-CE 3.48Å; F92-M115 VanDerWaalsContact CE2-CE 3.48Å; F92-M115 HydrophobicContact CE2-SD 4.44Å; F92-M115 HydrophobicContact CZ-CE 3.2Å; F92-M115 HydrophobicContact CZ-SD 4.21Å
93G84.1Confident88.5Confident45 Ų4552.5 Ų52.546%0.46429%0.294SS..THydrogen-bonded Turntrans94.6-15.7-177.700000114.4G91 W95G91-G93 PolarHBondContact O-N 3.01Å; G93-W95 VanDerWaalsContact C-N 3.27Å; G93-W95 PolarHBondContact O-N 3.03Å; G93-W95 VanDerWaalsContact O-N 3.14Å
94N90.4Very high88.1Confident61 Ų6156.5 Ų56.533%0.32632%0.319SS..  trans-88.457.8175.1-166.24.9000112.2G91 Q96 D97 V98G91-N94 PolarHBondContact O-N 3.46Å; N94-Q96 PolarHBondContact O-N 3.45Å; N94-Q96 VanDerWaalsContact O-N 3.1Å; N94-D97 PolarHBondContact ND2-OD2 3.02Å; N94-D97 PolarHBondContact O-N 3.05Å; N94-D97 PolarHBondContact OD1-OD2 3.17Å; N94-V98 WeakPolarHBondContact O-CG2 3.36Å; N94-V98 PolarHBondContact O-N 3.42Å; N94-V98 VanDerWaalsContact O-N 3.15Å
95W92.8Very high88.1Confident17 Ų1755 Ų556%0.06431%0.309CS..Hα-helixtrans-63-20.7-172.4-55.6117.9000114.6V87 F92 G93 V98 A99 K107 C110 E111 Y114 M115V87-W95 HydrophobicContact CG2-CH2 4.34Å; V87-W95 HydrophobicContact CG2-CZ3 3.75Å; F92-W95 HydrophobicContact CD2-CH2 4.07Å; F92-W95 HydrophobicContact CD2-CZ2 4.07Å; F92-W95 HydrophobicContact CE2-CH2 4.14Å; F92-W95 AromaticContact CE2-CZ2 3.94Å; F92-W95 HydrophobicContact CE2-CZ2 3.94Å; G93-W95 VanDerWaalsContact C-N 3.27Å; G93-W95 PolarHBondContact O-N 3.03Å; G93-W95 VanDerWaalsContact O-N 3.14Å; W95-V98 HydrophobicContact CE3-CB 4.44Å; W95-V98 HydrophobicContact CE3-CG1 4.33Å; W95-V98 HydrophobicContact CE3-CG2 4.45Å; W95-A99 VanDerWaalsContact O-CB 3.31Å; W95-A99 WeakPolarHBondContact O-CB 3.39Å; W95-A99 PolarHBondContact O-N 3.27Å; W95-K107 HydrophobicContact CB-CB 4.06Å; W95-K107 WeakPolarHBondContact O-CB 3.07Å; W95-C110 HydrophobicContact CE3-CB 4.4Å; W95-E111 HydrophobicContact CB-CB 4.47Å; W95-E111 HydrophobicContact CD2-CB 3.67Å; W95-E111 HydrophobicContact CD2-CG 4.11Å; W95-E111 HydrophobicContact CE3-CB 4.21Å; W95-E111 HydrophobicContact CG-CB 3.75Å; W95-E111 HydrophobicContact CG-CG 4.22Å; W95-E111 HydrophobicContact CZ2-CB 4.42Å; W95-E111 HydrophobicContact CZ2-CG 4.19Å; W95-E111 PolarHBondContact NE1-OE1 3.47Å; W95-E111 VanDerWaalsContact NE1-OE1 3.16Å; W95-Y114 AromaticContact CH2-CD1 3.68Å; W95-Y114 HydrophobicContact CH2-CD1 3.68Å; W95-Y114 HydrophobicContact CH2-CD2 4.48Å; W95-Y114 HydrophobicContact CH2-CE1 4.4Å; W95-Y114 AromaticContact CH2-CG 3.72Å; W95-Y114 HydrophobicContact CH2-CG 3.72Å; W95-Y114 HydrophobicContact CZ2-CD1 4.49Å; W95-Y114 HydrophobicContact CZ3-CG 4.16Å; W95-M115 HydrophobicContact CZ2-CE 3.69Å
96Q91.8Very high88.3Confident91 Ų9154.9 Ų54.943%0.42531%0.313SS..Hα-helixtrans-68.2-46.7177-172.563.460.900111N94 N100 K107N94-Q96 PolarHBondContact O-N 3.45Å; N94-Q96 VanDerWaalsContact O-N 3.1Å; Q96-N100 PolarHBondContact O-N 3.32Å; Q96-N100 VanDerWaalsContact O-N 3.15Å; Q96-N100 PolarHBondContact O-ND2 3.12Å; Q96-N100 VanDerWaalsContact O-ND2 3.17Å; Q96-N100 PolarHBondContact O-OD1 3.36Å; Q96-K107 VanDerWaalsContact OE1-CD 3.28Å
97D88.9Confident88.5Confident73 Ų7358.8 Ų58.839%0.3933%0.33SS..Hα-helixtrans-75.5-34.8179-68.2-28.2000111.5C90 N94 A99 N100 Q101C90-D97 HydrophobicContact CB-CB 4.08Å; N94-D97 PolarHBondContact ND2-OD2 3.02Å; N94-D97 PolarHBondContact O-N 3.05Å; N94-D97 PolarHBondContact OD1-OD2 3.17Å; D97-A99 PolarHBondContact O-N 2.86Å; D97-N100 WeakPolarHBondContact O-CB 3.47Å; D97-N100 PolarHBondContact O-N 2.91Å; D97-Q101 PolarHBondContact O-N 2.93Å
98V90.5Very high88.6Confident0 Ų064.2 Ų64.20%036%0.355CS..Hα-helixtrans-57.3-47.9171.6173.10000111.2L83 A86 V87 C90 N94 W95 N100 Q101 M102 C110L83-V98 HydrophobicContact CD1-CG1 3.79Å; A86-V98 HydrophobicContact CB-CB 4.45Å; A86-V98 HydrophobicContact CB-CG1 3.9Å; V87-V98 HydrophobicContact CG2-CG1 4.02Å; V87-V98 HydrophobicContact CG2-CG2 4.08Å; C90-V98 HydrophobicContact CB-CG2 3.83Å; N94-V98 WeakPolarHBondContact O-CG2 3.36Å; N94-V98 PolarHBondContact O-N 3.42Å; N94-V98 VanDerWaalsContact O-N 3.15Å; W95-V98 HydrophobicContact CE3-CB 4.44Å; W95-V98 HydrophobicContact CE3-CG1 4.33Å; W95-V98 HydrophobicContact CE3-CG2 4.45Å; V98-N100 VanDerWaalsContact C-N 3.33Å; V98-N100 PolarHBondContact O-N 3.04Å; V98-Q101 PolarHBondContact O-N 3.01Å; V98-M102 HydrophobicContact CG1-CG 4.45Å; V98-M102 WeakPolarHBondContact O-CB 3.32Å; V98-M102 VanDerWaalsContact O-CG 3.26Å; V98-M102 WeakPolarHBondContact O-CG 3.26Å; V98-M102 PolarHBondContact O-N 3.15Å; V98-C110 HydrophobicContact CG1-CB 4.39Å
99A91.8Very high88.7Confident10 Ų1062.5 Ų62.58%0.08335%0.345CS..Hα-helixtrans-65.4-36.8177.500000112.5W95 D97 Q101 M102 C103 K107W95-A99 VanDerWaalsContact O-CB 3.31Å; W95-A99 WeakPolarHBondContact O-CB 3.39Å; W95-A99 PolarHBondContact O-N 3.27Å; D97-A99 PolarHBondContact O-N 2.86Å; A99-Q101 VanDerWaalsContact C-N 3.29Å; A99-Q101 PolarHBondContact O-N 3.23Å; A99-M102 PolarHBondContact O-N 3.5Å; A99-C103 PolarHBondContact O-N 2.73Å; A99-K107 HydrophobicContact CB-CB 4Å
100N89.7Confident89Confident97 Ų9759.2 Ų59.252%0.51933%0.328SS..Hα-helixtrans-62.9-36.2175.4-68.3-24000111.9Q96 D97 V98 C103Q96-N100 PolarHBondContact O-N 3.32Å; Q96-N100 VanDerWaalsContact O-N 3.15Å; Q96-N100 PolarHBondContact O-ND2 3.12Å; Q96-N100 VanDerWaalsContact O-ND2 3.17Å; Q96-N100 PolarHBondContact O-OD1 3.36Å; D97-N100 WeakPolarHBondContact O-CB 3.47Å; D97-N100 PolarHBondContact O-N 2.91Å; V98-N100 VanDerWaalsContact C-N 3.33Å; V98-N100 PolarHBondContact O-N 3.04Å; N100-C103 PolarHBondContact O-SG 3.21Å
101Q86.9Confident89.1Confident63 Ų6361.5 Ų61.529%0.29434%0.335SS..Hα-helixtrans-75.1-38.4176.4-176.3167-10.100112A86 D89 C90 D97 V98 A99A86-Q101 HydrophobicContact CB-CB 4.02Å; A86-Q101 HydrophobicContact CB-CG 3.95Å; D89-Q101 PolarHBondContact OD2-NE2 2.95Å; C90-Q101 PolarHBondContact SG-OE1 2.5Å; D97-Q101 PolarHBondContact O-N 2.93Å; V98-Q101 PolarHBondContact O-N 3.01Å; A99-Q101 VanDerWaalsContact C-N 3.29Å; A99-Q101 PolarHBondContact O-N 3.23Å
102M83.9Confident89.4Confident13 Ų1367.4 Ų67.46%0.06435%0.351CS..Hα-helixtrans-64.8-36.9177.7-77.5-70.2-75.700113.9W75 E79 A82 L83 A86 V98 A99 T104 K105W75-M102 HydrophobicContact CH2-CE 4.24Å; W75-M102 HydrophobicContact CZ3-CE 3.67Å; E79-M102 HydrophobicContact CB-CE 4.32Å; E79-M102 VanDerWaalsContact O-CE 3.3Å; E79-M102 WeakPolarHBondContact O-CE 3.39Å; A82-M102 HydrophobicContact CB-CE 4.35Å; A82-M102 HydrophobicContact CB-SD 3.45Å; A82-M102 WeakPolarHBondContact CB-SD 3.05Å; L83-M102 WeakPolarHBondContact CA-SD 3.45Å; L83-M102 HydrophobicContact CB-CE 3.89Å; L83-M102 HydrophobicContact CB-SD 3.99Å; L83-M102 HydrophobicContact CD1-CG 4.48Å; L83-M102 PolarHBondContact N-SD 2.89Å; A86-M102 HydrophobicContact CB-CG 4.27Å; V98-M102 HydrophobicContact CG1-CG 4.45Å; V98-M102 WeakPolarHBondContact O-CB 3.32Å; V98-M102 VanDerWaalsContact O-CG 3.26Å; V98-M102 WeakPolarHBondContact O-CG 3.26Å; V98-M102 PolarHBondContact O-N 3.15Å; A99-M102 PolarHBondContact O-N 3.5Å; M102-T104 PolarHBondContact O-N 2.71Å; M102-K105 HydrophobicContact CE-CG 4.44Å
103C82.1Confident89.5Confident112 Ų11262.1 Ų62.176%0.75733%0.328SS*.SBendtrans59.1-16.1-176.8-58.70000117A99 N100A99-C103 PolarHBondContact O-N 2.73Å; N100-C103 PolarHBondContact O-SG 3.21Å
104T83.3Confident89.8Confident85 Ų8561.8 Ų61.852%0.52131%0.313SS..SBendtrans-103.4-24.1-174.558.20000114.3E79 M102E79-T104 WeakPolarHBondContact OE1-CB 3.48Å; E79-T104 PolarHBondContact OE1-OG1 2.67Å; M102-T104 PolarHBondContact O-N 2.71Å
105K88.9Confident89.7Confident41 Ų4161 Ų6118%0.17831%0.308CS..SBendtrans-127.8153.9-174.2-57.4-65-174.5-167.40111.7N74 W75 E79 M102 E109N74-K105 PolarHBondContact O-NZ 3.03Å; W75-K105 HydrophobicContact CH2-CB 4.08Å; W75-K105 HydrophobicContact CH2-CD 4.41Å; W75-K105 HydrophobicContact CH2-CG 3.64Å; W75-K105 HydrophobicContact CZ2-CB 4.3Å; W75-K105 HydrophobicContact CZ2-CD 4.1Å; W75-K105 HydrophobicContact CZ2-CG 3.8Å; W75-K105 HydrophobicContact CZ3-CG 4.06Å; E79-K105 VanDerWaalsContact CD-CE 3.43Å; E79-K105 WeakPolarHBondContact OE1-CE 3.37Å; E79-K105 IonicContact OE1-NZ 2.88Å; E79-K105 PolarHBondContact OE1-NZ 2.96Å; E79-K105 VanDerWaalsContact OE2-CE 3.25Å; E79-K105 WeakPolarHBondContact OE2-CE 3.42Å; E79-K105 IonicContact OE2-NZ 2.81Å; E79-K105 PolarHBondContact OE2-NZ 3.1Å; M102-K105 HydrophobicContact CE-CG 4.44Å; K105-E109 HydrophobicContact CB-CB 4.32Å
106S92.6Very high89.4Confident42 Ų4265.1 Ų65.129%0.29433%0.326SS..  trans-78.8162.8175.984.90000112.1E108 E109 C110S106-E108 VanDerWaalsContact C-N 3.26Å; S106-E108 PolarHBondContact O-N 3.24Å; S106-E108 PolarHBondContact OG-N 3.32Å; S106-E109 PolarHBondContact N-OE2 3.35Å; S106-E109 PolarHBondContact O-N 3.06Å; S106-E109 WeakPolarHBondContact OG-CG 3.37Å; S106-E109 PolarHBondContact OG-N 2.94Å; S106-C110 PolarHBondContact O-N 2.99Å; S106-C110 PolarHBondContact O-SG 3.49Å
107K92.9Very high88.9Confident83 Ų8361.6 Ų61.636%0.36131%0.31SS..Hα-helixtrans-57.9-38.5176.571.8-174.9-179-1790113W95 Q96 A99 E109 E111W95-K107 HydrophobicContact CB-CB 4.06Å; W95-K107 WeakPolarHBondContact O-CB 3.07Å; Q96-K107 VanDerWaalsContact OE1-CD 3.28Å; A99-K107 HydrophobicContact CB-CB 4Å; K107-E109 VanDerWaalsContact C-N 3.35Å; K107-E111 WeakPolarHBondContact O-CB 3.34Å; K107-E111 PolarHBondContact O-N 2.89Å
108E93.1Very high88.5Confident123 Ų12360.2 Ų60.258%0.57530%0.301SS*.Hα-helixtrans-71.1-35.2-179.4-68.1120.4-150.700110.9S106 K112S106-E108 VanDerWaalsContact C-N 3.26Å; S106-E108 PolarHBondContact O-N 3.24Å; S106-E108 PolarHBondContact OG-N 3.32Å; E108-K112 WeakPolarHBondContact O-CB 3.19Å; E108-K112 PolarHBondContact O-N 2.96Å
109E91.8Very high88.2Confident100 Ų10064.2 Ų64.247%0.46732%0.321SS..Hα-helixtrans-68.7-46.6174.9-69.7169.6164.500111.2K105 S106 K107 K112 H113K105-E109 HydrophobicContact CB-CB 4.32Å; S106-E109 PolarHBondContact N-OE2 3.35Å; S106-E109 PolarHBondContact O-N 3.06Å; S106-E109 WeakPolarHBondContact OG-CG 3.37Å; S106-E109 PolarHBondContact OG-N 2.94Å; K107-E109 VanDerWaalsContact C-N 3.35Å; E109-K112 PolarHBondContact O-N 3.41Å; E109-H113 WeakPolarHBondContact O-CB 3.31Å; E109-H113 PolarHBondContact O-N 3.05Å
110C91.4Very high87.5Confident0 Ų069.6 Ų69.60%035%0.349CS..Hα-helixtrans-59.6-49.3176.5-690000111.9L83 W95 V98 S106 H113 Y114L83-C110 HydrophobicContact CD1-CB 3.75Å; W95-C110 HydrophobicContact CE3-CB 4.4Å; V98-C110 HydrophobicContact CG1-CB 4.39Å; S106-C110 PolarHBondContact O-N 2.99Å; S106-C110 PolarHBondContact O-SG 3.49Å; C110-H113 PolarHBondContact O-N 2.87Å; C110-Y114 VanDerWaalsContact O-CB 3.25Å; C110-Y114 WeakPolarHBondContact O-CB 3.46Å; C110-Y114 PolarHBondContact O-N 2.91Å
111E92.5Very high86.5Confident83 Ų8369.6 Ų69.639%0.38835%0.349SS..Hα-helixtrans-61.2-50.7178.7177.4169.6-153.800111.3W95 K107 H113 Y114 M115W95-E111 HydrophobicContact CB-CB 4.47Å; W95-E111 HydrophobicContact CD2-CB 3.67Å; W95-E111 HydrophobicContact CD2-CG 4.11Å; W95-E111 HydrophobicContact CE3-CB 4.21Å; W95-E111 HydrophobicContact CG-CB 3.75Å; W95-E111 HydrophobicContact CG-CG 4.22Å; W95-E111 HydrophobicContact CZ2-CB 4.42Å; W95-E111 HydrophobicContact CZ2-CG 4.19Å; W95-E111 PolarHBondContact NE1-OE1 3.47Å; W95-E111 VanDerWaalsContact NE1-OE1 3.16Å; K107-E111 WeakPolarHBondContact O-CB 3.34Å; K107-E111 PolarHBondContact O-N 2.89Å; E111-H113 VanDerWaalsContact C-N 3.32Å; E111-H113 PolarHBondContact O-N 3.37Å; E111-Y114 PolarHBondContact O-N 3.34Å; E111-M115 HydrophobicContact CG-CG 4.33Å; E111-M115 WeakPolarHBondContact O-CB 3.44Å; E111-M115 WeakPolarHBondContact O-CG 3.27Å; E111-M115 PolarHBondContact O-N 3.35Å
112K91.4Very high85.4Confident157 Ų15769.1 Ų69.168%0.68335%0.351SS*.Hα-helixtrans-63.2-41.4-177.7-175.1179.4-180-177.40111.5E108 E109 K116E108-K112 WeakPolarHBondContact O-CB 3.19Å; E108-K112 PolarHBondContact O-N 2.96Å; E109-K112 PolarHBondContact O-N 3.41Å; K112-K116 WeakPolarHBondContact O-CB 3.41Å; K112-K116 PolarHBondContact O-N 3.34Å
113H89.5Confident84Confident8 Ų872.4 Ų72.44%0.03737%0.368CS..Hα-helixtrans-65.8-49.3178.6-171.371.1000111.3W75 E80 E109 C110 E111 M115 K116 H117W75-H113 AromaticContact CD1-CE1 3.59Å; W75-H113 AromaticContact CD1-ND1 3.61Å; W75-H113 AromaticContact CD2-CD2 3.62Å; W75-H113 AromaticContact CD2-CE1 3.8Å; W75-H113 AromaticContact CD2-CG 3.84Å; W75-H113 AromaticContact CD2-ND1 4Å; W75-H113 AromaticContact CD2-NE2 3.59Å; W75-H113 AromaticContact CE2-CD2 3.67Å; W75-H113 AromaticContact CE2-CG 3.43Å; W75-H113 VanDerWaalsContact CE2-CG 3.43Å; W75-H113 AromaticContact CE2-ND1 3.71Å; W75-H113 AromaticContact CE3-CD2 3.75Å; W75-H113 AromaticContact CE3-NE2 3.86Å; W75-H113 AromaticContact CG-CE1 3.55Å; W75-H113 AromaticContact CG-ND1 3.95Å; W75-H113 AromaticContact CG-NE2 3.73Å; W75-H113 HydrophobicContact CH2-CB 4.11Å; W75-H113 AromaticContact CH2-CD2 3.99Å; W75-H113 HydrophobicContact CZ2-CB 3.49Å; W75-H113 VanDerWaalsContact CZ2-CB 3.49Å; W75-H113 AromaticContact CZ2-CD2 3.87Å; W75-H113 AromaticContact CZ2-CG 3.63Å; W75-H113 AromaticContact CZ3-CD2 3.94Å; W75-H113 AromaticContact NE1-CE1 3.85Å; W75-H113 AromaticContact NE1-CG 3.65Å; W75-H113 AromaticContact NE1-ND1 3.44Å; W75-H113 PolarHBondContact NE1-ND1 3.18Å; E80-H113 IonicContact OE1-CE1 3.61Å; E80-H113 PolarHBondContact OE1-CE1 3.4Å; E80-H113 VanDerWaalsContact OE1-CE1 3.31Å; E80-H113 IonicContact OE1-NE2 2.79Å; E80-H113 PolarHBondContact OE1-NE2 3.33Å; E80-H113 IonicContact OE2-CD2 2.58Å; E80-H113 IonicContact OE2-CE1 2.72Å; E80-H113 IonicContact OE2-NE2 3.89Å; E80-H113 PolarHBondContact OE2-NE2 2.96Å; E109-H113 WeakPolarHBondContact O-CB 3.31Å; E109-H113 PolarHBondContact O-N 3.05Å; C110-H113 PolarHBondContact O-N 2.87Å; E111-H113 VanDerWaalsContact C-N 3.32Å; E111-H113 PolarHBondContact O-N 3.37Å; H113-M115 PolarHBondContact O-N 3.35Å; H113-K116 PolarHBondContact O-N 3.24Å; H113-H117 AromaticContact CE1-CD2 3.52Å; H113-H117 AromaticContact ND1-CD2 3.35Å; H113-H117 PolarHBondContact ND1-CD2 2.9Å; H113-H117 AromaticContact ND1-NE2 3.91Å; H113-H117 PolarHBondContact O-N 2.91Å
114Y88.8Confident82.6Confident38 Ų3871.8 Ų71.815%0.14935%0.353CS..Hα-helixtrans-58.5-49.7178.4-169.3-87.6000111.7L83 L84 V87 F92 W95 C110 E111 K116 F118 I119L83-Y114 HydrophobicContact CD2-CD2 4.33Å; L83-Y114 HydrophobicContact CG-CD2 4.48Å; L84-Y114 HydrophobicContact CD2-CD2 4.35Å; L84-Y114 HydrophobicContact CD2-CE2 3.78Å; V87-Y114 HydrophobicContact CB-CE2 4.34Å; V87-Y114 HydrophobicContact CG1-CE2 4.06Å; V87-Y114 HydrophobicContact CG2-CD2 4.1Å; V87-Y114 HydrophobicContact CG2-CE2 4.11Å; F92-Y114 HydrophobicContact CD2-CD1 4.24Å; F92-Y114 AromaticContact CD2-CE1 3.68Å; F92-Y114 HydrophobicContact CD2-CE1 3.68Å; F92-Y114 AromaticContact CE2-CD1 3.85Å; F92-Y114 HydrophobicContact CE2-CD1 3.85Å; F92-Y114 AromaticContact CE2-CE1 3.5Å; F92-Y114 HydrophobicContact CE2-CE1 3.5Å; F92-Y114 VanDerWaalsContact CE2-CE1 3.5Å; W95-Y114 AromaticContact CH2-CD1 3.68Å; W95-Y114 HydrophobicContact CH2-CD1 3.68Å; W95-Y114 HydrophobicContact CH2-CD2 4.48Å; W95-Y114 HydrophobicContact CH2-CE1 4.4Å; W95-Y114 AromaticContact CH2-CG 3.72Å; W95-Y114 HydrophobicContact CH2-CG 3.72Å; W95-Y114 HydrophobicContact CZ2-CD1 4.49Å; W95-Y114 HydrophobicContact CZ3-CG 4.16Å; C110-Y114 VanDerWaalsContact O-CB 3.25Å; C110-Y114 WeakPolarHBondContact O-CB 3.46Å; C110-Y114 PolarHBondContact O-N 2.91Å; E111-Y114 PolarHBondContact O-N 3.34Å; Y114-K116 PolarHBondContact O-N 3.04Å; Y114-F118 HydrophobicContact CD2-CB 4.48Å; Y114-F118 HydrophobicContact CD2-CD2 4.18Å; Y114-F118 HydrophobicContact CD2-CG 4.41Å; Y114-F118 HydrophobicContact CE2-CB 4.41Å; Y114-F118 HydrophobicContact CE2-CG 4.48Å; Y114-F118 WeakPolarHBondContact O-CA 3.23Å; Y114-F118 WeakPolarHBondContact O-CB 3.49Å; Y114-F118 PolarHBondContact O-N 3.05Å; Y114-I119 HydrophobicContact CD1-CG1 4.01Å; Y114-I119 HydrophobicContact CE1-CD1 3.87Å; Y114-I119 HydrophobicContact CE1-CG1 3.81Å; Y114-I119 PolarHBondContact O-N 3.06Å
115M88.8Confident80.9Confident46 Ų4669.8 Ų69.823%0.22735%0.345CS..Iπ-helixtrans-62.3-41.8179.3-69.2-67.9168.300112.2F92 W95 E111 H113 I119 N120F92-M115 HydrophobicContact CE1-CE 4.21Å; F92-M115 HydrophobicContact CE2-CE 3.48Å; F92-M115 VanDerWaalsContact CE2-CE 3.48Å; F92-M115 HydrophobicContact CE2-SD 4.44Å; F92-M115 HydrophobicContact CZ-CE 3.2Å; F92-M115 HydrophobicContact CZ-SD 4.21Å; W95-M115 HydrophobicContact CZ2-CE 3.69Å; E111-M115 HydrophobicContact CG-CG 4.33Å; E111-M115 WeakPolarHBondContact O-CB 3.44Å; E111-M115 WeakPolarHBondContact O-CG 3.27Å; E111-M115 PolarHBondContact O-N 3.35Å; H113-M115 PolarHBondContact O-N 3.35Å; M115-I119 HydrophobicContact SD-CB 4.37Å; M115-I119 HydrophobicContact SD-CG1 4.11Å; M115-N120 VanDerWaalsContact O-CB 3.23Å; M115-N120 WeakPolarHBondContact O-CB 3.41Å; M115-N120 VanDerWaalsContact O-CG 3.23Å; M115-N120 PolarHBondContact O-N 3.43Å; M115-N120 PolarHBondContact O-ND2 3.45Å; M115-N120 VanDerWaalsContact O-ND2 3.16Å
116K86.6Confident79.1Confident102 Ų10271.6 Ų71.644%0.44336%0.363SS..Iπ-helixtrans-70.3-46.1-177.3-179.9-177166.1-138.20112.3D72 K112 H113 Y114 N121D72-K116 IonicContact OD2-NZ 2.98Å; K112-K116 WeakPolarHBondContact O-CB 3.41Å; K112-K116 PolarHBondContact O-N 3.34Å; H113-K116 PolarHBondContact O-N 3.24Å; Y114-K116 PolarHBondContact O-N 3.04Å; K116-N121 WeakPolarHBondContact O-CB 3.31Å; K116-N121 PolarHBondContact O-N 3.05Å
117H81.8Confident77.1Confident17 Ų1775 Ų758%0.07938%0.382CS..Iπ-helixtrans-98.7-22.7-168.4-71.1-83.4000114.6L71 D72 H113 N121L71-H117 HydrophobicContact CD1-CB 4.19Å; D72-H117 IonicContact OD2-NE2 3.2Å; H113-H117 AromaticContact CE1-CD2 3.52Å; H113-H117 AromaticContact ND1-CD2 3.35Å; H113-H117 PolarHBondContact ND1-CD2 2.9Å; H113-H117 AromaticContact ND1-NE2 3.91Å; H113-H117 PolarHBondContact O-N 2.91Å; H117-N121 VanDerWaalsContact O-O 3.08Å
118F80Confident75Confident44 Ų4478 Ų7819%0.19340%0.401CS..Iπ-helixtrans-111.3-31.4-177.5-61.9-92.6000113.6L71 L84 Y114L71-F118 HydrophobicContact CD1-CE1 4.33Å; L71-F118 HydrophobicContact CD1-CE2 4.04Å; L71-F118 HydrophobicContact CD1-CZ 3.72Å; L84-F118 HydrophobicContact CD1-CE1 3.95Å; L84-F118 HydrophobicContact CD1-CZ 4.36Å; L84-F118 HydrophobicContact CD2-CD1 4.01Å; L84-F118 HydrophobicContact CD2-CE1 3.77Å; L84-F118 HydrophobicContact CD2-CZ 4.07Å; L84-F118 HydrophobicContact CG-CE1 4.23Å; L84-F118 HydrophobicContact CG-CZ 4.35Å; Y114-F118 HydrophobicContact CD2-CB 4.48Å; Y114-F118 HydrophobicContact CD2-CD2 4.18Å; Y114-F118 HydrophobicContact CD2-CG 4.41Å; Y114-F118 HydrophobicContact CE2-CB 4.41Å; Y114-F118 HydrophobicContact CE2-CG 4.48Å; Y114-F118 WeakPolarHBondContact O-CA 3.23Å; Y114-F118 WeakPolarHBondContact O-CB 3.49Å; Y114-F118 PolarHBondContact O-N 3.05Å
119I83.9Confident72.7Confident84 Ų8476.7 Ų76.743%0.43140%0.398SS..Iπ-helixtrans-99.3-58.1-179.6-56.5-59.3000112.5Y114 M115Y114-I119 HydrophobicContact CD1-CG1 4.01Å; Y114-I119 HydrophobicContact CE1-CD1 3.87Å; Y114-I119 HydrophobicContact CE1-CG1 3.81Å; Y114-I119 PolarHBondContact O-N 3.06Å; M115-I119 HydrophobicContact SD-CB 4.37Å; M115-I119 HydrophobicContact SD-CG1 4.11Å
120N78.4Confident70.2Confident124 Ų12479.7 Ų79.766%0.66342%0.417SS*.Iπ-helixtrans-83-29.4-168.7-66.9-31000113.6M115M115-N120 VanDerWaalsContact O-CB 3.23Å; M115-N120 WeakPolarHBondContact O-CB 3.41Å; M115-N120 VanDerWaalsContact O-CG 3.23Å; M115-N120 PolarHBondContact O-N 3.43Å; M115-N120 PolarHBondContact O-ND2 3.45Å; M115-N120 VanDerWaalsContact O-ND2 3.16Å
121N68.1Low67.9Low97 Ų9785.6 Ų85.652%0.51945%0.448SS..  trans-140.773.6176.7-171.48.2000109.5K116 H117 L123K116-N121 WeakPolarHBondContact O-CB 3.31Å; K116-N121 PolarHBondContact O-N 3.05Å; H117-N121 VanDerWaalsContact O-O 3.08Å; N121-L123 VanDerWaalsContact C-N 3.27Å; N121-L123 PolarHBondContact O-N 3.07Å
122P63.7Low65.6Low52 Ų5290.7 Ų90.734%0.33847%0.469SS..  trans-68.192.1175.529-32.1000107.6F124 A125P122-F124 PolarHBondContact O-N 3.28Å; P122-A125 HydrophobicContact CB-CB 4.3Å; P122-A125 HydrophobicContact CG-CB 4Å; P122-A125 WeakPolarHBondContact O-CB 3.49Å; P122-A125 PolarHBondContact O-N 3.47Å
123L54.7Low63.5Low82 Ų8290.8 Ų90.843%0.42947%0.472SS..G310 helixtrans-54.8-20.4170.2-74.9165.6000111.4N121 A125 S126N121-L123 VanDerWaalsContact C-N 3.27Å; N121-L123 PolarHBondContact O-N 3.07Å; L123-A125 VanDerWaalsContact C-N 3.3Å; L123-A125 PolarHBondContact O-N 3.15Å; L123-S126 PolarHBondContact O-OG 3.41Å
124F52.4Low61.4Low100 Ų10094.5 Ų94.544%0.43950%0.504SS..G310 helixtrans-66.2-20.4171-82.2-84.9000115.4P122 S126 L128P122-F124 PolarHBondContact O-N 3.28Å; F124-S126 VanDerWaalsContact C-N 3.35Å; F124-L128 HydrophobicContact CE1-CD1 4.38Å
125A47.5Very low59.6Low43 Ų43101.2 Ų101.236%0.35554%0.536SS..G310 helixtrans-78-16.8-179.600000113.7P122 L123P122-A125 HydrophobicContact CB-CB 4.3Å; P122-A125 HydrophobicContact CG-CB 4Å; P122-A125 WeakPolarHBondContact O-CB 3.49Å; P122-A125 PolarHBondContact O-N 3.47Å; L123-A125 VanDerWaalsContact C-N 3.3Å; L123-A125 PolarHBondContact O-N 3.15Å
126S50.4Low57.7Low79 Ų79108.2 Ų108.255%0.55257%0.568SS**THydrogen-bonded Turntrans-112.9-21.6-172.557.90000115.6L123 F124L123-S126 PolarHBondContact O-OG 3.41Å; F124-S126 VanDerWaalsContact C-N 3.35Å
127T50.9Low55.8Low114 Ų114107 Ų10770%0.69958%0.577SS**THydrogen-bonded Turntrans-129-24.4-166.3-32.40000116.7
128L48.6Very low54.3Low145 Ų145114.3 Ų114.376%0.75961%0.612SS**THydrogen-bonded Turntrans-120-30.3-178.1-72.5176.9000114.8F124F124-L128 HydrophobicContact CE1-CD1 4.38Å
129L44.6Very low52.8Low96 Ų96120.5 Ų120.550%0.50364%0.641SS.*  trans-105.2106.2166.2-71165.7000106.6L131L129-L131 HydrophobicContact CB-CD1 4.13Å; L129-L131 HydrophobicContact CB-CG 4.15Å; L129-L131 HydrophobicContact CD1-CD1 4.16Å; L129-L131 PolarHBondContact O-N 2.97Å
130N39.8Very low51.4Low163 Ų163122.2 Ų122.287%0.87265%0.651SS**  trans-65.751.5155.7-99.3-22.4000109.2K132N130-K132 PolarHBondContact O-N 3.42Å
131L43.9Very low50.2Low123 Ų123125.5 Ų125.564%0.64466%0.662SS**  trans-64.194.6147.8-76164.3000102.2L129 Q133L129-L131 HydrophobicContact CB-CD1 4.13Å; L129-L131 HydrophobicContact CB-CG 4.15Å; L129-L131 HydrophobicContact CD1-CD1 4.16Å; L129-L131 PolarHBondContact O-N 2.97Å; L131-Q133 PolarHBondContact O-N 2.96Å
132K44.6Very low49.9Very low190 Ų190125.8 Ų125.883%0.82667%0.668SS**  trans-37116.2160.4-81.5-178.9173.1-178.80103.9N130 A134N130-K132 PolarHBondContact O-N 3.42Å; K132-A134 PolarHBondContact O-N 3.11Å
133Q45.7Very low49.8Very low160 Ų160127.6 Ų127.675%0.74869%0.687SS**  trans-47.2104.3160.2-74.2175.8-15.100102.2L131 E135L131-Q133 PolarHBondContact O-N 2.96Å; Q133-E135 PolarHBondContact O-N 3.04Å
134A46.7Very low50.4Low86 Ų86131.3 Ų131.371%0.71171%0.706SS**  trans-54.9110.7165.90000099.6K132 E136K132-A134 PolarHBondContact O-N 3.11Å; A134-E136 PolarHBondContact O-N 3.33Å
135E50.8Low51.3Low178 Ų178130.8 Ų130.883%0.83271%0.712SS**  trans-36.4119.6171.7-72173.8152.200103.8Q133 A137Q133-E135 PolarHBondContact O-N 3.04Å; E135-A137 PolarHBondContact O-N 3.01Å
136E49.5Very low52.6Low193 Ų193133.6 Ų133.690%0.90272%0.716SS**  trans-58.384.5177.2-73.1176.1166.400104.7A134 Q138A134-E136 PolarHBondContact O-N 3.33Å; E136-Q138 PolarHBondContact O-N 3.21Å
137A45.4Very low54Low76 Ų76135.8 Ų135.863%0.62872%0.718SS**  trans-72.389.2178.30000099.9E135 H139E135-A137 PolarHBondContact O-N 3.01Å; A137-H139 WeakPolarHBondContact O-CA 3.47Å; A137-H139 PolarHBondContact O-N 3.34Å
138Q50.7Low55.5Low172 Ų172134.4 Ų134.480%0.80471%0.711SS**  trans-24.689.6179.2-110.7175.5-14.700107.8E136 N140E136-Q138 PolarHBondContact O-N 3.21Å; Q138-N140 PolarHBondContact O-N 3.13Å
139H48.9Very low57Low173 Ų173129.2 Ų129.280%0.80169%0.689SS**  trans-83.691.5-177.5-14151.8000100.2A137 E141A137-H139 WeakPolarHBondContact O-CA 3.47Å; A137-H139 PolarHBondContact O-N 3.34Å; H139-E141 PolarHBondContact O-N 3.28Å
140N53.5Low58.4Low121 Ų121131.9 Ų131.965%0.64770%0.703SS**  trans-54.9100.6170.2-72.7-33.5000105.1Q138 T142Q138-N140 PolarHBondContact O-N 3.13Å; N140-T142 PolarHBondContact O-N 3.46Å
141E53.2Low60.1Low192 Ų192130.4 Ų130.490%0.89770%0.696SS**  trans-62.3-3.4177-69.8-168.1150.900112H139 A143H139-E141 PolarHBondContact O-N 3.28Å; E141-A143 PolarHBondContact O-N 3.17Å; E141-A143 VanDerWaalsContact O-N 3.08Å
142T61.7Low61.5Low104 Ų104127.9 Ų127.964%0.63869%0.687SS**SBendtrans-67.5106.9169.153.70000109.5N140 I144N140-T142 PolarHBondContact O-N 3.46Å; T142-I144 PolarHBondContact O-N 3.37Å
143A62.7Low63Low90 Ų90120 Ų12074%0.74466%0.655SS**  trans-44.2117.6164.400000109.3E141 P145E141-A143 PolarHBondContact O-N 3.17Å; E141-A143 VanDerWaalsContact O-N 3.08Å; A143-P145 WeakPolarHBondContact O-CD 3.43Å; A143-P145 VanDerWaalsContact O-N 3.12Å
144I67.4Low64.8Low160 Ų160115.9 Ų115.982%0.82163%0.632SS**PPolyproline II helixtrans-62.1116.9178.4-59.7173.1000106.9T142 F146T142-I144 PolarHBondContact O-N 3.37Å; I144-F146 PolarHBondContact O-N 3.23Å
145P70.3Confident66.4Low88 Ų88112.7 Ų112.757%0.57161%0.605SS**PPolyproline II helixtrans-59.5130-179-21.432.4000109.9A143 H147A143-P145 WeakPolarHBondContact O-CD 3.43Å; A143-P145 VanDerWaalsContact O-N 3.12Å; P145-H147 PolarHBondContact O-CD2 3.12Å; P145-H147 PolarHBondContact O-N 3.31Å
146F75.9Confident68Low102 Ų102107.7 Ų107.745%0.44759%0.586SS.*PPolyproline II helixtrans-69.7119.9176.6177-88.2000109.6I144 P148 R154 P155I144-F146 PolarHBondContact O-N 3.23Å; F146-P148 HydrophobicContact CE1-CG 4.26Å; F146-R154 HydrophobicContact CD2-CG 4.32Å; F146-R154 HydrophobicContact CE2-CG 3.54Å; F146-R154 HydrophobicContact CZ-CG 4Å; F146-P155 WeakPolarHBondContact CZ-O 3.37Å
147H80.2Confident69.3Low126 Ų126105.6 Ų105.658%0.58357%0.574SS**  trans-121.9129.1173.1-63.3-54.2000110.2P145 A149 R154P145-H147 PolarHBondContact O-CD2 3.12Å; P145-H147 PolarHBondContact O-N 3.31Å; H147-A149 PolarHBondContact O-N 3.3Å; H147-R154 WeakPolarHBondContact O-CD 3.47Å
148P80.9Confident71Confident84 Ų84109.1 Ų109.155%0.54558%0.583SS.*  trans-56.8134.1170.6-2333.8000110.5F146 R154 T156F146-P148 HydrophobicContact CE1-CG 4.26Å; P148-R154 WeakPolarHBondContact CA-O 3.35Å; P148-T156 HydrophobicContact CB-CG2 4.15Å; P148-T156 HydrophobicContact CG-CG2 3.6Å
149A80.4Confident72.7Confident36 Ų36102.2 Ų102.230%0.29855%0.553SS.*BIsolated β-bridgetrans-144148.7-179.400000110.1H147 P153 R154H147-A149 PolarHBondContact O-N 3.3Å; A149-P153 CarbonylContact O-C 3.59Å; A149-R154 HydrophobicContact CB-CB 4.15Å; A149-R154 PolarHBondContact N-O 2.75Å; A149-R154 PolarHBondContact O-N 3.31Å
150D75.2Confident74.3Confident152 Ų15299.6 Ų99.681%0.81355%0.545SS*.THydrogen-bonded Turntrans-84.7-31.5178.1-69.1-38.7000112.6P153D150-P153 VanDerWaalsContact O-CA 3.27Å; D150-P153 WeakPolarHBondContact O-CA 3.48Å
151D74.1Confident75.7Confident133 Ų13396 Ų9671%0.71153%0.525SS*.THydrogen-bonded Turntrans-143.5117.5179.5-160.411.5000111.8
152P73.1Confident77.1Confident70 Ų7088 Ų8846%0.45549%0.49SS..THydrogen-bonded Turncis-62.3141.8-11.127.1-33.6000110.8R154P152-R154 PolarHBondContact O-N 3.26Å
153P76.6Confident78.1Confident24 Ų2492.1 Ų92.116%0.15649%0.494CS..THydrogen-bonded Turntrans-63.2107.5-169.224.5-34.4000110.6A149 D150 P155 M165 P170A149-P153 CarbonylContact O-C 3.59Å; D150-P153 VanDerWaalsContact O-CA 3.27Å; D150-P153 WeakPolarHBondContact O-CA 3.48Å; P153-P155 VanDerWaalsContact C-CD 3.4Å; P153-P155 WeakPolarHBondContact O-CD 3.33Å; P153-M165 HydrophobicContact CB-CE 4.29Å; P153-M165 HydrophobicContact CB-SD 4.09Å; P153-M165 HydrophobicContact CG-CE 4.03Å; P153-M165 HydrophobicContact CG-SD 4.32Å; P153-P170 WeakPolarHBondContact O-CG 3.47Å
154R82.9Confident79.2Confident73 Ų7390.7 Ų90.728%0.27547%0.474SS..BIsolated β-bridgetrans-112.576.5-179.9-148.3-175.7-53.6-105.3-4.4108.5F146 H147 P148 A149 P152F146-R154 HydrophobicContact CD2-CG 4.32Å; F146-R154 HydrophobicContact CE2-CG 3.54Å; F146-R154 HydrophobicContact CZ-CG 4Å; H147-R154 WeakPolarHBondContact O-CD 3.47Å; P148-R154 WeakPolarHBondContact CA-O 3.35Å; A149-R154 HydrophobicContact CB-CB 4.15Å; A149-R154 PolarHBondContact N-O 2.75Å; A149-R154 PolarHBondContact O-N 3.31Å; P152-R154 PolarHBondContact O-N 3.26Å
155P81.7Confident80.1Confident20 Ų2083.2 Ų83.213%0.1344%0.436CS..PPolyproline II helixtrans-65.9148.7-176.626.6-34.1000111.1F146 P153 S159 L161 M165F146-P155 WeakPolarHBondContact CZ-O 3.37Å; P153-P155 VanDerWaalsContact C-CD 3.4Å; P153-P155 WeakPolarHBondContact O-CD 3.33Å; P155-S159 WeakPolarHBondContact CB-OG 3.33Å; P155-L161 HydrophobicContact CB-CB 4.06Å; P155-L161 HydrophobicContact CB-CD2 4.1Å; P155-L161 HydrophobicContact CB-CG 4.07Å; P155-M165 HydrophobicContact CG-CE 4.5Å; P155-M165 HydrophobicContact CG-SD 3.89Å
156T82.7Confident80.8Confident72 Ų7282.4 Ų82.444%0.44244%0.437SS..PPolyproline II helixtrans-60.4147.2165.6480000110.1P148 S159P148-T156 HydrophobicContact CB-CG2 4.15Å; P148-T156 HydrophobicContact CG-CG2 3.6Å; T156-S159 VanDerWaalsContact O-CB 3.31Å; T156-S159 WeakPolarHBondContact O-CB 3.11Å; T156-S159 PolarHBondContact O-N 2.95Å; T156-S159 PolarHBondContact O-OG 2.92Å; T156-S159 WeakPolarHBondContact OG1-CB 3.27Å
157F77.8Confident81.3Confident150 Ų15078.4 Ų78.466%0.65842%0.424SS*.THydrogen-bonded Turntrans-52.4140.5175.3-72.4-81.2000110.6S159F157-S159 PolarHBondContact O-N 3.49Å
158D80.7Confident81.7Confident149 Ų14974.2 Ų74.280%0.79740%0.403SS*.THydrogen-bonded Turntrans57.78.7-177.9-59.1-29.2000117.6
159S85.8Confident81.9Confident27 Ų2773.2 Ų73.219%0.18939%0.392CS..  trans-64.8158.6172.265.90000112.4P155 T156 F157 L161 S162 R163P155-S159 WeakPolarHBondContact CB-OG 3.33Å; T156-S159 VanDerWaalsContact O-CB 3.31Å; T156-S159 WeakPolarHBondContact O-CB 3.11Å; T156-S159 PolarHBondContact O-N 2.95Å; T156-S159 PolarHBondContact O-OG 2.92Å; T156-S159 WeakPolarHBondContact OG1-CB 3.27Å; F157-S159 PolarHBondContact O-N 3.49Å; S159-L161 PolarHBondContact O-N 3.09Å; S159-S162 WeakPolarHBondContact O-CB 3.31Å; S159-S162 PolarHBondContact O-N 2.99Å; S159-S162 VanDerWaalsContact O-N 3.09Å; S159-S162 WeakPolarHBondContact OG-CB 3.27Å; S159-S162 PolarHBondContact OG-N 3.19Å; S159-S162 VanDerWaalsContact OG-N 3.16Å; S159-R163 PolarHBondContact O-N 2.95Å
160L83.4Confident82Confident119 Ų11973 Ų7362%0.62339%0.388SS*.Hα-helixtrans-55.5-37.3172.8-69.1175.4000111.9R163 D164L160-R163 PolarHBondContact O-N 3.12Å; L160-D164 WeakPolarHBondContact O-CB 3.4Å; L160-D164 PolarHBondContact O-N 3.3Å
161L82.1Confident82.1Confident44 Ų4470 Ų7023%0.2338%0.383CS..Hα-helixtrans-67.7-39.8177.7-175.662.6000111.8P155 S159 R163 D164 M165P155-L161 HydrophobicContact CB-CB 4.06Å; P155-L161 HydrophobicContact CB-CD2 4.1Å; P155-L161 HydrophobicContact CB-CG 4.07Å; S159-L161 PolarHBondContact O-N 3.09Å; L161-R163 VanDerWaalsContact C-N 3.34Å; L161-R163 PolarHBondContact O-N 3.13Å; L161-D164 PolarHBondContact O-N 3.15Å; L161-M165 HydrophobicContact CD1-SD 4.33Å; L161-M165 HydrophobicContact CG-SD 4.05Å; L161-M165 WeakPolarHBondContact O-CB 3.42Å; L161-M165 VanDerWaalsContact O-CG 3.26Å; L161-M165 WeakPolarHBondContact O-CG 3.37Å; L161-M165 PolarHBondContact O-N 3.16Å
162S82.7Confident82.6Confident24 Ų2470.1 Ų70.117%0.16837%0.374CS..Hα-helixtrans-60.4-43.2174-179.70000112.1S159 M165 A166 G167S159-S162 WeakPolarHBondContact O-CB 3.31Å; S159-S162 PolarHBondContact O-N 2.99Å; S159-S162 VanDerWaalsContact O-N 3.09Å; S159-S162 WeakPolarHBondContact OG-CB 3.27Å; S159-S162 PolarHBondContact OG-N 3.19Å; S159-S162 VanDerWaalsContact OG-N 3.16Å; S162-M165 CarbonylContact O-C 3.57Å; S162-M165 PolarHBondContact O-N 3.39Å; S162-A166 PolarHBondContact O-N 3.46Å; S162-G167 PolarHBondContact O-N 3.28Å
163R83.6Confident83.1Confident191 Ų19169.8 Ų69.872%0.72138%0.378SS*.Hα-helixtrans-65-43.1174.7-73.5172.455.9147.70.3112.4S159 L160 L161 M165 A166S159-R163 PolarHBondContact O-N 2.95Å; L160-R163 PolarHBondContact O-N 3.12Å; L161-R163 VanDerWaalsContact C-N 3.34Å; L161-R163 PolarHBondContact O-N 3.13Å; R163-M165 PolarHBondContact O-N 2.82Å; R163-A166 PolarHBondContact O-N 3.34Å
164D85Confident83.6Confident60 Ų6070.2 Ų70.232%0.32138%0.378SS..Hα-helixtrans-64.2-28.2176.8-72.4-9.8000111.5L160 L161 A166 R234L160-D164 WeakPolarHBondContact O-CB 3.4Å; L160-D164 PolarHBondContact O-N 3.3Å; L161-D164 PolarHBondContact O-N 3.15Å; D164-A166 VanDerWaalsContact C-N 3.27Å; D164-A166 PolarHBondContact O-N 2.81Å; D164-R234 IonicContact OD2-CZ 3.91Å; D164-R234 VanDerWaalsContact OD2-CZ 3.23Å; D164-R234 IonicContact OD2-NE 3.79Å; D164-R234 PolarHBondContact OD2-NE 3.43Å; D164-R234 IonicContact OD2-NH2 3.57Å; D164-R234 PolarHBondContact OD2-NH2 2.83Å
165M86.1Confident83.9Confident4 Ų468 Ų682%0.0237%0.371CS..THydrogen-bonded Turntrans-85.27.1174.5-70.4174.460.500113.6P153 P155 L161 S162 R163 G167 Y168 P170 I231P153-M165 HydrophobicContact CB-CE 4.29Å; P153-M165 HydrophobicContact CB-SD 4.09Å; P153-M165 HydrophobicContact CG-CE 4.03Å; P153-M165 HydrophobicContact CG-SD 4.32Å; P155-M165 HydrophobicContact CG-CE 4.5Å; P155-M165 HydrophobicContact CG-SD 3.89Å; L161-M165 HydrophobicContact CD1-SD 4.33Å; L161-M165 HydrophobicContact CG-SD 4.05Å; L161-M165 WeakPolarHBondContact O-CB 3.42Å; L161-M165 VanDerWaalsContact O-CG 3.26Å; L161-M165 WeakPolarHBondContact O-CG 3.37Å; L161-M165 PolarHBondContact O-N 3.16Å; S162-M165 CarbonylContact O-C 3.57Å; S162-M165 PolarHBondContact O-N 3.39Å; R163-M165 PolarHBondContact O-N 2.82Å; M165-G167 PolarHBondContact O-N 3.09Å; M165-G167 VanDerWaalsContact O-N 3.14Å; M165-Y168 HydrophobicContact CE-CD1 3.73Å; M165-Y168 HydrophobicContact CE-CG 4.43Å; M165-Y168 VanDerWaalsContact O-CB 3.31Å; M165-Y168 WeakPolarHBondContact O-CB 3.17Å; M165-Y168 PolarHBondContact O-N 3.49Å; M165-P170 HydrophobicContact CE-CG 4.42Å; M165-I231 HydrophobicContact CE-CG2 3.95Å
166A86.7Confident84.2Confident71 Ų7171.6 Ų71.659%0.58739%0.392SS*.THydrogen-bonded Turntrans51.735.2179.900000113.9S162 R163 D164 Y168S162-A166 PolarHBondContact O-N 3.46Å; R163-A166 PolarHBondContact O-N 3.34Å; D164-A166 VanDerWaalsContact C-N 3.27Å; D164-A166 PolarHBondContact O-N 2.81Å; A166-Y168 VanDerWaalsContact C-N 3.35Å; A166-Y168 PolarHBondContact O-N 2.89Å
167G86.2Confident84.5Confident18 Ų1874.4 Ų74.419%0.18640%0.4CS..THydrogen-bonded Turntrans74.320.4-17900000114.5S162 M165 M169 V176S162-G167 PolarHBondContact O-N 3.28Å; M165-G167 PolarHBondContact O-N 3.09Å; M165-G167 VanDerWaalsContact O-N 3.14Å; G167-M169 PolarHBondContact O-N 3.42Å; G167-V176 VanDerWaalsContact O-CG2 3.32Å; G167-V176 WeakPolarHBondContact O-CG2 3.44Å; G167-V176 PolarHBondContact O-N 3.41Å
168Y87.7Confident85Confident38 Ų3868.7 Ų68.715%0.14938%0.375CS..EExtended strand (participates in β ladder)trans-62.6128.8170.5-175.7-101.3000111.4M165 A166 P170 A173 F175 I231M165-Y168 HydrophobicContact CE-CD1 3.73Å; M165-Y168 HydrophobicContact CE-CG 4.43Å; M165-Y168 VanDerWaalsContact O-CB 3.31Å; M165-Y168 WeakPolarHBondContact O-CB 3.17Å; M165-Y168 PolarHBondContact O-N 3.49Å; A166-Y168 VanDerWaalsContact C-N 3.35Å; A166-Y168 PolarHBondContact O-N 2.89Å; Y168-P170 HydrophobicContact CD1-CG 4.3Å; Y168-P170 HydrophobicContact CE1-CB 4.27Å; Y168-P170 HydrophobicContact CE1-CG 4.33Å; Y168-P170 WeakPolarHBondContact O-CD 3.13Å; Y168-A173 WeakPolarHBondContact OH-CA 3.22Å; Y168-F175 HydrophobicContact CD2-CD1 4.18Å; Y168-F175 HydrophobicContact CD2-CD2 4.14Å; Y168-F175 AromaticContact CD2-CE1 3.84Å; Y168-F175 HydrophobicContact CD2-CE1 3.84Å; Y168-F175 AromaticContact CD2-CE2 3.78Å; Y168-F175 HydrophobicContact CD2-CE2 3.78Å; Y168-F175 HydrophobicContact CD2-CG 4.33Å; Y168-F175 AromaticContact CD2-CZ 3.6Å; Y168-F175 HydrophobicContact CD2-CZ 3.6Å; Y168-F175 HydrophobicContact CE2-CE2 4.32Å; Y168-F175 HydrophobicContact CE2-CZ 4.41Å; Y168-F175 HydrophobicContact CG-CE1 4.21Å; Y168-F175 HydrophobicContact CG-CZ 4.34Å; Y168-I231 HydrophobicContact CD1-CG2 3.46Å; Y168-I231 VanDerWaalsContact CD1-CG2 3.46Å; Y168-I231 HydrophobicContact CD2-CD1 4.45Å; Y168-I231 HydrophobicContact CD2-CG2 4.37Å; Y168-I231 HydrophobicContact CE1-CD1 3.96Å; Y168-I231 HydrophobicContact CE1-CG2 3.89Å; Y168-I231 HydrophobicContact CE2-CD1 3.92Å; Y168-I231 HydrophobicContact CE2-CG1 4.48Å; Y168-I231 HydrophobicContact CG-CG2 3.71Å
169M84.6Confident85.4Confident63 Ų6365.1 Ų65.131%0.3135%0.353SS..EExtended strand (participates in β ladder)trans-105.9104.2177.7-61.5-17076.700110G167 A171 R172 A173 D174 V176G167-M169 PolarHBondContact O-N 3.42Å; M169-A171 VanDerWaalsContact C-N 3.31Å; M169-A171 PolarHBondContact O-N 3.39Å; M169-R172 HydrophobicContact CB-CB 4.39Å; M169-R172 PolarHBondContact O-N 3.13Å; M169-A173 PolarHBondContact O-N 3.25Å; M169-D174 WeakPolarHBondContact CB-O 3.46Å; M169-D174 PolarHBondContact N-O 3.31Å; M169-D174 PolarHBondContact O-N 3.26Å; M169-V176 HydrophobicContact CG-CG2 3.84Å; M169-V176 HydrophobicContact SD-CG2 3.75Å
170P82.5Confident85.7Confident32 Ų3266 Ų6621%0.20836%0.355CS..THydrogen-bonded Turntrans-61.9-34.1-174.3-19.326.2000114.6P153 M165 Y168 R172 A173P153-P170 WeakPolarHBondContact O-CG 3.47Å; M165-P170 HydrophobicContact CE-CG 4.42Å; Y168-P170 HydrophobicContact CD1-CG 4.3Å; Y168-P170 HydrophobicContact CE1-CB 4.27Å; Y168-P170 HydrophobicContact CE1-CG 4.33Å; Y168-P170 WeakPolarHBondContact O-CD 3.13Å; P170-R172 VanDerWaalsContact C-N 3.3Å; P170-R172 PolarHBondContact O-N 2.87Å; P170-A173 PolarHBondContact O-N 3Å
171A78.9Confident86Confident87 Ų8763.1 Ų63.172%0.71934%0.341SS*.THydrogen-bonded Turntrans-68.2-30.4-178.900000112.8M169M169-A171 VanDerWaalsContact C-N 3.31Å; M169-A171 PolarHBondContact O-N 3.39Å
172R83.4Confident86.6Confident136 Ų13667.8 Ų67.851%0.51336%0.356SS..THydrogen-bonded Turntrans-94-13.5175.8-165.7170.170.2-152-5.6112.4M169 P170 D174 F175M169-R172 HydrophobicContact CB-CB 4.39Å; M169-R172 PolarHBondContact O-N 3.13Å; P170-R172 VanDerWaalsContact C-N 3.3Å; P170-R172 PolarHBondContact O-N 2.87Å; R172-D174 VanDerWaalsContact C-N 3.29Å; R172-D174 HydrophobicContact CB-CB 3.88Å; R172-D174 HydrophobicContact CG-CB 3.61Å; R172-D174 IonicContact CZ-OD2 3.64Å; R172-D174 IonicContact NE-OD2 2.77Å; R172-D174 PolarHBondContact NE-OD2 2.92Å; R172-D174 IonicContact NH2-OD2 3.94Å; R172-D174 PolarHBondContact NH2-OD2 2.9Å; R172-F175 PolarHBondContact NH2-O 3.12Å
173A83.4Confident87Confident64 Ų6466.7 Ų66.753%0.52935%0.348SS..THydrogen-bonded Turntrans5543.1-168.800000112.8Y168 M169 P170Y168-A173 WeakPolarHBondContact OH-CA 3.22Å; M169-A173 PolarHBondContact O-N 3.25Å; P170-A173 PolarHBondContact O-N 3Å
174D88Confident87.3Confident32 Ų3260.9 Ų60.917%0.17133%0.33CS..EExtended strand (participates in β ladder)trans-152.3161.5-162-160.436.1000113.1M169 R172 K222M169-D174 WeakPolarHBondContact CB-O 3.46Å; M169-D174 PolarHBondContact N-O 3.31Å; M169-D174 PolarHBondContact O-N 3.26Å; R172-D174 VanDerWaalsContact C-N 3.29Å; R172-D174 HydrophobicContact CB-CB 3.88Å; R172-D174 HydrophobicContact CG-CB 3.61Å; R172-D174 IonicContact CZ-OD2 3.64Å; R172-D174 IonicContact NE-OD2 2.77Å; R172-D174 PolarHBondContact NE-OD2 2.92Å; R172-D174 IonicContact NH2-OD2 3.94Å; R172-D174 PolarHBondContact NH2-OD2 2.9Å; D174-K222 WeakPolarHBondContact OD1-CE 3.48Å; D174-K222 IonicContact OD1-NZ 3.05Å; D174-K222 PolarHBondContact OD1-NZ 3.49Å
175F89.1Confident87.6Confident28 Ų2865.9 Ų65.912%0.12334%0.344CS..EExtended strand (participates in β ladder)trans-95.4151.8-179.8-65.9-92000111.4Y168 R172 E177 E178 K222 I225Y168-F175 HydrophobicContact CD2-CD1 4.18Å; Y168-F175 HydrophobicContact CD2-CD2 4.14Å; Y168-F175 AromaticContact CD2-CE1 3.84Å; Y168-F175 HydrophobicContact CD2-CE1 3.84Å; Y168-F175 AromaticContact CD2-CE2 3.78Å; Y168-F175 HydrophobicContact CD2-CE2 3.78Å; Y168-F175 HydrophobicContact CD2-CG 4.33Å; Y168-F175 AromaticContact CD2-CZ 3.6Å; Y168-F175 HydrophobicContact CD2-CZ 3.6Å; Y168-F175 HydrophobicContact CE2-CE2 4.32Å; Y168-F175 HydrophobicContact CE2-CZ 4.41Å; Y168-F175 HydrophobicContact CG-CE1 4.21Å; Y168-F175 HydrophobicContact CG-CZ 4.34Å; R172-F175 PolarHBondContact NH2-O 3.12Å; F175-E177 WeakPolarHBondContact CB-O 3.25Å; F175-E178 PolarHBondContact N-OE1 3.47Å; F175-K222 HydrophobicContact CE2-CG 4.45Å; F175-I225 HydrophobicContact CE2-CD1 4.48Å; F175-I225 HydrophobicContact CZ-CD1 4.32Å; F175-I225 HydrophobicContact CZ-CG2 4.14Å
176V87.8Confident87.7Confident94 Ų9469.2 Ų69.257%0.5736%0.362SS*.SBendtrans-66.3-43.8170.4169.30000110.4G167 M169G167-V176 VanDerWaalsContact O-CG2 3.32Å; G167-V176 WeakPolarHBondContact O-CG2 3.44Å; G167-V176 PolarHBondContact O-N 3.41Å; M169-V176 HydrophobicContact CG-CG2 3.84Å; M169-V176 HydrophobicContact SD-CG2 3.75Å
177E88.4Confident87.9Confident132 Ų13268 Ų6862%0.61735%0.346SS*.SBendtrans-114.2120.8175.9-168.7176.1-175.700109.1F175 N181F175-E177 WeakPolarHBondContact CB-O 3.25Å; E177-N181 HydrophobicContact CG-CB 4.19Å
178E88.2Confident88.2Confident29 Ų2975.7 Ų75.714%0.13637%0.369CS..  trans-86.2159.2-174.4-77.6-61.7153.100113F175 D180 N181 R218 K222F175-E178 PolarHBondContact N-OE1 3.47Å; E178-D180 PolarHBondContact O-N 3.18Å; E178-D180 VanDerWaalsContact O-N 3.15Å; E178-N181 PolarHBondContact N-OD1 3.35Å; E178-N181 PolarHBondContact O-N 3.12Å; E178-R218 WeakPolarHBondContact OE2-CD 3.42Å; E178-R218 WeakPolarHBondContact OE2-CG 3.41Å; E178-K222 WeakPolarHBondContact OE1-CE 3.5Å; E178-K222 IonicContact OE1-NZ 2.97Å; E178-K222 PolarHBondContact OE1-NZ 3.31Å; E178-K222 WeakPolarHBondContact OE2-CE 3.28Å; E178-K222 IonicContact OE2-NZ 2.63Å; E178-K222 PolarHBondContact OE2-NZ 3.49Å
179F89.9Confident88.3Confident75 Ų7580.5 Ų80.533%0.32940%0.397SS..THydrogen-bonded Turntrans-61.1124.4163.9172.9-112.5000108.8E217 R218 R221F179-E217 HydrophobicContact CD1-CG 4.27Å; F179-E217 HydrophobicContact CE1-CB 4.37Å; F179-E217 HydrophobicContact CE1-CG 3.7Å; F179-R218 HydrophobicContact CB-CG 4.34Å; F179-R218 HydrophobicContact CD1-CB 4.41Å; F179-R218 PolarHBondContact O-NE 3.24Å; F179-R221 VanDerWaalsContact CE2-CZ 3.45Å; F179-R221 VanDerWaalsContact CZ-NH1 3.3Å
180D91.1Very high88.6Confident44 Ų4479.8 Ų79.824%0.23539%0.394CS..THydrogen-bonded Turntrans59.154.9-176.8-152-6.1000111.7E178 Y182 A183 R214 R218E178-D180 PolarHBondContact O-N 3.18Å; E178-D180 VanDerWaalsContact O-N 3.15Å; D180-Y182 PolarHBondContact O-N 3.27Å; D180-A183 WeakPolarHBondContact O-CB 3.33Å; D180-A183 PolarHBondContact O-N 3.26Å; D180-A183 VanDerWaalsContact O-N 3.08Å; D180-R214 VanDerWaalsContact CG-NH2 3.27Å; D180-R214 IonicContact OD1-CZ 4Å; D180-R214 IonicContact OD1-NE 3.23Å; D180-R214 IonicContact OD1-NH2 3.45Å; D180-R214 PolarHBondContact OD1-NH2 3.21Å; D180-R214 IonicContact OD2-CZ 3.52Å; D180-R214 IonicContact OD2-NE 3.12Å; D180-R214 PolarHBondContact OD2-NE 2.81Å; D180-R214 IonicContact OD2-NH2 2.84Å; D180-R214 PolarHBondContact OD2-NH2 3.47Å; D180-R218 PolarHBondContact O-NH2 2.77Å
181N91.3Very high89.2Confident59 Ų5982.9 Ų82.932%0.31641%0.409SS..THydrogen-bonded Turntrans-58.5-17.7-172.7-167.374.4000114.8E177 E178E177-N181 HydrophobicContact CG-CB 4.19Å; E178-N181 PolarHBondContact N-OD1 3.35Å; E178-N181 PolarHBondContact O-N 3.12Å
182Y93.3Very high89.8Confident143 Ų14383.6 Ų83.656%0.56140%0.396SS*.THydrogen-bonded Turntrans-104.39.6-178.7-55.2-70.2000113.1D180 E184 W185D180-Y182 PolarHBondContact O-N 3.27Å; Y182-E184 PolarHBondContact O-N 3.07Å; Y182-E184 VanDerWaalsContact O-N 3.11Å; Y182-W185 AromaticContact CD1-NE1 3.62Å; Y182-W185 VanDerWaalsContact O-CB 3.25Å; Y182-W185 WeakPolarHBondContact O-CB 3.36Å; Y182-W185 PolarHBondContact O-N 3.33Å
183A91.6Very high90.3Very high0 Ų080.4 Ų80.40%039%0.391CS..G310 helixtrans-56.1-31.5-17800000113D180 W185 D186 Y211 R214D180-A183 WeakPolarHBondContact O-CB 3.33Å; D180-A183 PolarHBondContact O-N 3.26Å; D180-A183 VanDerWaalsContact O-N 3.08Å; A183-W185 PolarHBondContact O-N 3.24Å; A183-D186 PolarHBondContact O-N 3.41Å; A183-Y211 HydrophobicContact CB-CD2 4.03Å; A183-Y211 HydrophobicContact CB-CE2 4.02Å; A183-Y211 WeakPolarHBondContact O-CD2 3.31Å; A183-R214 HydrophobicContact CB-CB 4.3Å
184E91Very high90.5Very high70 Ų7086.9 Ų86.933%0.32741%0.411SS..G310 helixtrans-66.5-20.8177.7-68.569.4-159.200112.9Y182 D186 L187 R188 Y211 R218Y182-E184 PolarHBondContact O-N 3.07Å; Y182-E184 VanDerWaalsContact O-N 3.11Å; E184-D186 VanDerWaalsContact C-N 3.27Å; E184-D186 PolarHBondContact O-N 3.01Å; E184-L187 PolarHBondContact O-N 3.43Å; E184-R188 PolarHBondContact O-N 2.9Å; E184-Y211 HydrophobicContact CG-CE2 3.92Å; E184-Y211 PolarHBondContact OE1-OH 3.11Å; E184-R218 IonicContact OE1-CZ 2.78Å; E184-R218 IonicContact OE1-NH1 2.9Å; E184-R218 PolarHBondContact OE1-NH1 2.96Å; E184-R218 IonicContact OE1-NH2 3.82Å; E184-R218 PolarHBondContact OE1-NH2 3.19Å; E184-R218 IonicContact OE2-NH2 3.28Å; E184-R218 PolarHBondContact OE2-NH2 3.47Å
185W91.2Very high90.7Very high165 Ų16592.8 Ų92.863%0.62544%0.442SS*.G310 helixtrans-66.5-30.5178.8-74.755.6000112.3Y182 A183 L187 R188Y182-W185 AromaticContact CD1-NE1 3.62Å; Y182-W185 VanDerWaalsContact O-CB 3.25Å; Y182-W185 WeakPolarHBondContact O-CB 3.36Å; Y182-W185 PolarHBondContact O-N 3.33Å; A183-W185 PolarHBondContact O-N 3.24Å; W185-L187 PolarHBondContact O-N 3.49Å; W185-R188 WeakPolarHBondContact O-CB 3.42Å; W185-R188 PolarHBondContact O-N 2.81Å
186D87.4Confident90.9Very high74 Ų7492.8 Ų92.840%0.39644%0.444SS..G310 helixtrans-64.8-23.7177.4-62-14.6000112.1A183 E184 I190 V207 R214A183-D186 PolarHBondContact O-N 3.41Å; E184-D186 VanDerWaalsContact C-N 3.27Å; E184-D186 PolarHBondContact O-N 3.01Å; D186-I190 WeakPolarHBondContact O-CD1 3.38Å; D186-V207 HydrophobicContact CB-CG1 4.41Å; D186-R214 IonicContact OD1-NH1 3.04Å; D186-R214 IonicContact OD2-CZ 2.97Å; D186-R214 IonicContact OD2-NH1 3.48Å; D186-R214 PolarHBondContact OD2-NH1 3.26Å
187L91.4Very high91.3Very high46 Ų4691.7 Ų91.724%0.24144%0.44CS..G310 helixtrans-95.8-10.2179.8-62.2-174.4000113.3E184 W185 D189 I190 V207 V208 Y211E184-L187 PolarHBondContact O-N 3.43Å; W185-L187 PolarHBondContact O-N 3.49Å; L187-D189 PolarHBondContact O-N 2.54Å; L187-I190 HydrophobicContact CD2-CD1 3.79Å; L187-I190 PolarHBondContact O-N 2.89Å; L187-I190 VanDerWaalsContact O-N 3.15Å; L187-V207 HydrophobicContact CD2-CG1 4.14Å; L187-V208 HydrophobicContact CD2-CG2 4.08Å; L187-Y211 HydrophobicContact CD1-CD1 3.33Å; L187-Y211 HydrophobicContact CD1-CD2 3.9Å; L187-Y211 HydrophobicContact CD1-CE1 3.66Å; L187-Y211 HydrophobicContact CD1-CE2 4.23Å; L187-Y211 HydrophobicContact CD1-CG 3.44Å; L187-Y211 VanDerWaalsContact CD1-CG 3.44Å; L187-Y211 HydrophobicContact CD2-CG 4.47Å; L187-Y211 HydrophobicContact CG-CD1 4.36Å; L187-Y211 HydrophobicContact CG-CD2 4.27Å; L187-Y211 HydrophobicContact CG-CG 3.99Å
188R91.4Very high91.6Very high179 Ų17992.4 Ų92.468%0.67545%0.448SS*.THydrogen-bonded Turntrans-54.7-42.6-169.7-178.8-171.8172.9178.9-2.4112.6E184 W185E184-R188 PolarHBondContact O-N 2.9Å; W185-R188 WeakPolarHBondContact O-CB 3.42Å; W185-R188 PolarHBondContact O-N 2.81Å
189D90.1Very high92Very high139 Ų13997.8 Ų97.874%0.74348%0.476SS*.THydrogen-bonded Turntrans-106.718.7-172.9-54.2-40.6000111.7L187L187-D189 PolarHBondContact O-N 2.54Å
190I92.1Very high92.2Very high47 Ų4797.5 Ų97.524%0.24148%0.478CS..  trans-96.4116.6175.7-57.2-175.5000109.5D186 L187 F192 K204 V207D186-I190 WeakPolarHBondContact O-CD1 3.38Å; L187-I190 HydrophobicContact CD2-CD1 3.79Å; L187-I190 PolarHBondContact O-N 2.89Å; L187-I190 VanDerWaalsContact O-N 3.15Å; I190-F192 HydrophobicContact CG2-CE2 4.28Å; I190-K204 HydrophobicContact CG2-CB 4.13Å; I190-K204 HydrophobicContact CG2-CD 4.39Å; I190-K204 HydrophobicContact CG2-CG 4.08Å; I190-V207 HydrophobicContact CD1-CB 3.68Å; I190-V207 HydrophobicContact CD1-CG1 3.43Å; I190-V207 VanDerWaalsContact CD1-CG1 3.43Å; I190-V207 HydrophobicContact CD1-CG2 4.33Å
191D93.3Very high92.4Very high98 Ų9899.5 Ų99.552%0.52449%0.485SS..  trans-116.8156.1169.658.7-10.2000110K204D191-K204 WeakPolarHBondContact O-CD 3.11Å; D191-K204 WeakPolarHBondContact O-CE 2.88Å; D191-K204 PolarHBondContact O-NZ 3.44Å; D191-K204 IonicContact OD1-NZ 3.41Å; D191-K204 PolarHBondContact OD1-NZ 3.14Å
192F92.5Very high92.7Very high102 Ų10299.5 Ų99.545%0.44749%0.494SS..  trans-111.1122.4172.3-71.3-89000108.2I190 H201 K204 I205 V208I190-F192 HydrophobicContact CG2-CE2 4.28Å; F192-H201 AromaticContact CD1-CE1 3.82Å; F192-H201 AromaticContact CD1-ND1 3.84Å; F192-K204 HydrophobicContact CD1-CB 4.4Å; F192-K204 HydrophobicContact CD1-CD 4.3Å; F192-K204 HydrophobicContact CE1-CB 3.67Å; F192-K204 HydrophobicContact CE1-CD 4.39Å; F192-K204 HydrophobicContact CZ-CB 3.95Å; F192-I205 HydrophobicContact CE1-CD1 3.78Å; F192-I205 HydrophobicContact CE1-CG1 4.2Å; F192-I205 HydrophobicContact CZ-CD1 3.9Å; F192-V208 HydrophobicContact CZ-CG2 4.3Å
193V94Very high92.8Very high68 Ų6897.9 Ų97.941%0.41249%0.494SS..  trans-119.2142.6-178.2-1740000108.6D195 D196V193-D195 PolarHBondContact O-N 3.42Å; V193-D196 PolarHBondContact N-OD2 3.02Å; V193-D196 VanDerWaalsContact O-CB 3.27Å; V193-D196 WeakPolarHBondContact O-CB 3.23Å; V193-D196 PolarHBondContact O-N 3.39Å
194E87.6Confident93Very high200 Ų20098.9 Ų98.994%0.93550%0.499SS*.THydrogen-bonded Turntrans-62.7-27.6-176.8-63.4-172.6168.200113.2D196E194-D196 VanDerWaalsContact C-N 3.29Å; E194-D196 PolarHBondContact O-N 3.29Å
195D92.4Very high93.2Very high156 Ų15698.8 Ų98.883%0.83450%0.499SS*.THydrogen-bonded Turntrans-84.84.9177.5-64-30.8000113.7V193 S197V193-D195 PolarHBondContact O-N 3.42Å; D195-S197 PolarHBondContact O-N 2.99Å
196D93.4Very high93.4Very high29 Ų2992.9 Ų92.916%0.15549%0.486CS..  trans-61128.4177.4-78.5-29.2000110.7V193 E194 L200 H201 K204V193-D196 PolarHBondContact N-OD2 3.02Å; V193-D196 VanDerWaalsContact O-CB 3.27Å; V193-D196 WeakPolarHBondContact O-CB 3.23Å; V193-D196 PolarHBondContact O-N 3.39Å; E194-D196 VanDerWaalsContact C-N 3.29Å; E194-D196 PolarHBondContact O-N 3.29Å; D196-L200 HydrophobicContact CB-CD2 4.46Å; D196-L200 WeakPolarHBondContact OD1-CD2 3.47Å; D196-H201 HydrophobicContact CB-CB 4.48Å; D196-K204 IonicContact OD1-NZ 2.95Å; D196-K204 PolarHBondContact OD1-NZ 2.94Å; D196-K204 IonicContact OD2-NZ 2.64Å; D196-K204 PolarHBondContact OD2-NZ 3.26Å
197S95.6Very high93.8Very high70 Ų7091.2 Ų91.249%0.4948%0.479SS..  trans-58.8146.4169.668.30000110.8D195 I199 L200 H201D195-S197 PolarHBondContact O-N 2.99Å; S197-I199 PolarHBondContact O-N 3.46Å; S197-L200 WeakPolarHBondContact O-CA 3.43Å; S197-L200 WeakPolarHBondContact O-CB 3.49Å; S197-L200 PolarHBondContact O-N 2.74Å; S197-L200 WeakPolarHBondContact OG-CB 3.24Å; S197-L200 PolarHBondContact OG-N 2.61Å; S197-H201 PolarHBondContact O-N 3.06Å
198D95.7Very high94Very high147 Ų14791.6 Ų91.679%0.78648%0.483SS*.Hα-helixtrans-50.1-37.1179.6-64.7-27.2000113.2A202D198-A202 VanDerWaalsContact O-CB 3.32Å; D198-A202 WeakPolarHBondContact O-CB 3.35Å; D198-A202 PolarHBondContact O-N 3.45Å
199I96.3Very high94.2Very high143 Ų14387.9 Ų87.973%0.73348%0.476SS*.Hα-helixtrans-67.7-43.9178.4-61.1172.6000111S197 A202 L203S197-I199 PolarHBondContact O-N 3.46Å; I199-A202 PolarHBondContact O-N 2.89Å; I199-L203 WeakPolarHBondContact O-CB 3.1Å; I199-L203 PolarHBondContact O-N 3.24Å
200L94.7Very high94.4Very high68 Ų6885.9 Ų85.936%0.35646%0.464SS..Hα-helixtrans-66.2-42.9177.3-179.860000110.7D196 S197 A202 L203 K204D196-L200 HydrophobicContact CB-CD2 4.46Å; D196-L200 WeakPolarHBondContact OD1-CD2 3.47Å; S197-L200 WeakPolarHBondContact O-CA 3.43Å; S197-L200 WeakPolarHBondContact O-CB 3.49Å; S197-L200 PolarHBondContact O-N 2.74Å; S197-L200 WeakPolarHBondContact OG-CB 3.24Å; S197-L200 PolarHBondContact OG-N 2.61Å; L200-A202 PolarHBondContact O-N 3.41Å; L200-L203 WeakPolarHBondContact O-CB 3.48Å; L200-L203 PolarHBondContact O-N 2.97Å; L200-K204 HydrophobicContact CD1-CG 4.5Å; L200-K204 HydrophobicContact CG-CD 4.37Å; L200-K204 WeakPolarHBondContact O-CG 3.3Å; L200-K204 PolarHBondContact O-N 2.77Å
201H95.1Very high94.6Very high86 Ų8685.6 Ų85.640%0.39846%0.461SS..Hα-helixtrans-58.3-48.5174.4-171.988.5000111.2F192 D196 S197 L203 K204 I205F192-H201 AromaticContact CD1-CE1 3.82Å; F192-H201 AromaticContact CD1-ND1 3.84Å; D196-H201 HydrophobicContact CB-CB 4.48Å; S197-H201 PolarHBondContact O-N 3.06Å; H201-L203 VanDerWaalsContact C-N 3.31Å; H201-L203 PolarHBondContact O-N 3.31Å; H201-K204 PolarHBondContact O-N 2.97Å; H201-I205 WeakPolarHBondContact O-CG1 3.41Å; H201-I205 PolarHBondContact O-N 3.4Å
202A96.3Very high94.7Very high59 Ų5985.2 Ų85.249%0.48846%0.456SS..Hα-helixtrans-60.9-37.7176.500000112.8D198 I199 L200 A206D198-A202 VanDerWaalsContact O-CB 3.32Å; D198-A202 WeakPolarHBondContact O-CB 3.35Å; D198-A202 PolarHBondContact O-N 3.45Å; I199-A202 PolarHBondContact O-N 2.89Å; L200-A202 PolarHBondContact O-N 3.41Å; A202-A206 WeakPolarHBondContact O-CB 3.34Å; A202-A206 PolarHBondContact O-N 3.43Å
203L95.8Very high94.8Very high109 Ų10984 Ų8457%0.57146%0.46SS*.Hα-helixtrans-64.9-45.5175.1-172.874.7000111.3I199 L200 H201 I205 A206 V207I199-L203 WeakPolarHBondContact O-CB 3.1Å; I199-L203 PolarHBondContact O-N 3.24Å; L200-L203 WeakPolarHBondContact O-CB 3.48Å; L200-L203 PolarHBondContact O-N 2.97Å; H201-L203 VanDerWaalsContact C-N 3.31Å; H201-L203 PolarHBondContact O-N 3.31Å; L203-I205 VanDerWaalsContact C-N 3.34Å; L203-I205 PolarHBondContact O-N 3.04Å; L203-A206 WeakPolarHBondContact O-CB 3.44Å; L203-A206 PolarHBondContact O-N 3.37Å; L203-A206 VanDerWaalsContact O-N 3.17Å; L203-V207 WeakPolarHBondContact O-CG2 3.32Å; L203-V207 PolarHBondContact O-N 3.33Å
204K95.8Very high94.9Very high22 Ų2284.3 Ų84.310%0.09645%0.453CS..Hα-helixtrans-59.2-45.1176.8-70.3175.4176.1-175.40111.1I190 D191 F192 D196 L200 H201 A206 V207 V208I190-K204 HydrophobicContact CG2-CB 4.13Å; I190-K204 HydrophobicContact CG2-CD 4.39Å; I190-K204 HydrophobicContact CG2-CG 4.08Å; D191-K204 WeakPolarHBondContact O-CD 3.11Å; D191-K204 WeakPolarHBondContact O-CE 2.88Å; D191-K204 PolarHBondContact O-NZ 3.44Å; D191-K204 IonicContact OD1-NZ 3.41Å; D191-K204 PolarHBondContact OD1-NZ 3.14Å; F192-K204 HydrophobicContact CD1-CB 4.4Å; F192-K204 HydrophobicContact CD1-CD 4.3Å; F192-K204 HydrophobicContact CE1-CB 3.67Å; F192-K204 HydrophobicContact CE1-CD 4.39Å; F192-K204 HydrophobicContact CZ-CB 3.95Å; D196-K204 IonicContact OD1-NZ 2.95Å; D196-K204 PolarHBondContact OD1-NZ 2.94Å; D196-K204 IonicContact OD2-NZ 2.64Å; D196-K204 PolarHBondContact OD2-NZ 3.26Å; L200-K204 HydrophobicContact CD1-CG 4.5Å; L200-K204 HydrophobicContact CG-CD 4.37Å; L200-K204 WeakPolarHBondContact O-CG 3.3Å; L200-K204 PolarHBondContact O-N 2.77Å; H201-K204 PolarHBondContact O-N 2.97Å; K204-A206 PolarHBondContact O-N 2.96Å; K204-V207 PolarHBondContact O-N 2.91Å; K204-V208 WeakPolarHBondContact O-CG2 3.29Å; K204-V208 PolarHBondContact O-N 3.32Å; K204-V208 VanDerWaalsContact O-N 3.12Å
205I95.5Very high95.2Very high67 Ų6777.2 Ų77.234%0.34442%0.422SS..Hα-helixtrans-60.5-43.5174.2-64.6-64.8000111.5F192 H201 L203 V207 V208 D209F192-I205 HydrophobicContact CE1-CD1 3.78Å; F192-I205 HydrophobicContact CE1-CG1 4.2Å; F192-I205 HydrophobicContact CZ-CD1 3.9Å; H201-I205 WeakPolarHBondContact O-CG1 3.41Å; H201-I205 PolarHBondContact O-N 3.4Å; L203-I205 VanDerWaalsContact C-N 3.34Å; L203-I205 PolarHBondContact O-N 3.04Å; I205-V207 VanDerWaalsContact C-N 3.28Å; I205-V207 PolarHBondContact O-N 3.49Å; I205-V208 WeakPolarHBondContact O-CB 3.43Å; I205-V208 PolarHBondContact O-N 3.21Å; I205-V208 VanDerWaalsContact O-N 3.1Å; I205-D209 PolarHBondContact O-N 3.39Å
206A96.3Very high95.3Very high42 Ų4276 Ų7635%0.34741%0.409SS..Hα-helixtrans-60.9-36177.600000112.6A202 L203 K204 D209 I210A202-A206 WeakPolarHBondContact O-CB 3.34Å; A202-A206 PolarHBondContact O-N 3.43Å; L203-A206 WeakPolarHBondContact O-CB 3.44Å; L203-A206 PolarHBondContact O-N 3.37Å; L203-A206 VanDerWaalsContact O-N 3.17Å; K204-A206 PolarHBondContact O-N 2.96Å; A206-D209 PolarHBondContact O-N 2.93Å; A206-I210 VanDerWaalsContact O-CG1 3.27Å; A206-I210 WeakPolarHBondContact O-CG1 3.35Å; A206-I210 PolarHBondContact O-N 3.38Å
207V95.7Very high95.4Very high39 Ų3977.2 Ų77.224%0.23641%0.414CS..Hα-helixtrans-67.3-40.9174.2-177.10000111.3D186 L187 I190 L203 K204 I205 D209 I210 Y211D186-V207 HydrophobicContact CB-CG1 4.41Å; L187-V207 HydrophobicContact CD2-CG1 4.14Å; I190-V207 HydrophobicContact CD1-CB 3.68Å; I190-V207 HydrophobicContact CD1-CG1 3.43Å; I190-V207 VanDerWaalsContact CD1-CG1 3.43Å; I190-V207 HydrophobicContact CD1-CG2 4.33Å; L203-V207 WeakPolarHBondContact O-CG2 3.32Å; L203-V207 PolarHBondContact O-N 3.33Å; K204-V207 PolarHBondContact O-N 2.91Å; I205-V207 VanDerWaalsContact C-N 3.28Å; I205-V207 PolarHBondContact O-N 3.49Å; V207-D209 VanDerWaalsContact C-N 3.31Å; V207-D209 PolarHBondContact O-N 2.67Å; V207-I210 WeakPolarHBondContact O-CB 3.41Å; V207-I210 PolarHBondContact O-N 3.28Å; V207-Y211 PolarHBondContact O-N 3.04Å
208V95.4Very high95.3Very high54 Ų5475.1 Ų75.133%0.32740%0.395SS..Hα-helixtrans-61.3-40.5173.9176.10000111.3L187 F192 K204 I205 Y211 H212L187-V208 HydrophobicContact CD2-CG2 4.08Å; F192-V208 HydrophobicContact CZ-CG2 4.3Å; K204-V208 WeakPolarHBondContact O-CG2 3.29Å; K204-V208 PolarHBondContact O-N 3.32Å; K204-V208 VanDerWaalsContact O-N 3.12Å; I205-V208 WeakPolarHBondContact O-CB 3.43Å; I205-V208 PolarHBondContact O-N 3.21Å; I205-V208 VanDerWaalsContact O-N 3.1Å; V208-Y211 WeakPolarHBondContact O-CB 3.32Å; V208-Y211 PolarHBondContact O-N 2.74Å; V208-H212 WeakPolarHBondContact O-CB 3.42Å; V208-H212 PolarHBondContact O-N 2.85Å
209D95.7Very high95.1Very high101 Ų10173.6 Ų73.654%0.5438%0.383SS..Hα-helixtrans-63.9-40.5175.8-78.1-25.4000112.3I205 A206 V207 H212 S213I205-D209 PolarHBondContact O-N 3.39Å; A206-D209 PolarHBondContact O-N 2.93Å; V207-D209 VanDerWaalsContact C-N 3.31Å; V207-D209 PolarHBondContact O-N 2.67Å; D209-H212 PolarHBondContact O-N 3.4Å; D209-S213 PolarHBondContact O-N 3.45Å
210I94.3Very high95Very high96 Ų9671.9 Ų71.949%0.49237%0.367SS..Hα-helixtrans-60.7-48.1173.5-69.5163.8000110A206 V207 H212 S213 R214A206-I210 VanDerWaalsContact O-CG1 3.27Å; A206-I210 WeakPolarHBondContact O-CG1 3.35Å; A206-I210 PolarHBondContact O-N 3.38Å; V207-I210 WeakPolarHBondContact O-CB 3.41Å; V207-I210 PolarHBondContact O-N 3.28Å; I210-H212 VanDerWaalsContact C-N 3.32Å; I210-H212 PolarHBondContact O-N 3.43Å; I210-S213 WeakPolarHBondContact O-CB 3.26Å; I210-S213 PolarHBondContact O-N 3.2Å; I210-R214 WeakPolarHBondContact O-CG 3.35Å; I210-R214 PolarHBondContact O-N 3.49Å
211Y95.3Very high94.8Very high42 Ų4273.1 Ų73.117%0.16537%0.368CS..Hα-helixtrans-58-44.9175.7172.6-105.9000111.8A183 E184 L187 V207 V208 S213 R214 L215A183-Y211 HydrophobicContact CB-CD2 4.03Å; A183-Y211 HydrophobicContact CB-CE2 4.02Å; A183-Y211 WeakPolarHBondContact O-CD2 3.31Å; E184-Y211 HydrophobicContact CG-CE2 3.92Å; E184-Y211 PolarHBondContact OE1-OH 3.11Å; L187-Y211 HydrophobicContact CD1-CD1 3.33Å; L187-Y211 HydrophobicContact CD1-CD2 3.9Å; L187-Y211 HydrophobicContact CD1-CE1 3.66Å; L187-Y211 HydrophobicContact CD1-CE2 4.23Å; L187-Y211 HydrophobicContact CD1-CG 3.44Å; L187-Y211 VanDerWaalsContact CD1-CG 3.44Å; L187-Y211 HydrophobicContact CD2-CG 4.47Å; L187-Y211 HydrophobicContact CG-CD1 4.36Å; L187-Y211 HydrophobicContact CG-CD2 4.27Å; L187-Y211 HydrophobicContact CG-CG 3.99Å; V207-Y211 PolarHBondContact O-N 3.04Å; V208-Y211 WeakPolarHBondContact O-CB 3.32Å; V208-Y211 PolarHBondContact O-N 2.74Å; Y211-S213 VanDerWaalsContact C-N 3.29Å; Y211-S213 PolarHBondContact O-N 3.25Å; Y211-R214 WeakPolarHBondContact O-CB 3.46Å; Y211-R214 PolarHBondContact O-N 2.88Å; Y211-L215 HydrophobicContact CD1-CD1 4.09Å; Y211-L215 HydrophobicContact CD1-CG 4.33Å; Y211-L215 HydrophobicContact CE1-CD1 3.37Å; Y211-L215 HydrophobicContact CE1-CD2 4.45Å; Y211-L215 HydrophobicContact CE1-CG 3.84Å; Y211-L215 HydrophobicContact CE2-CD1 4.48Å; Y211-L215 HydrophobicContact CE2-CD2 4.14Å; Y211-L215 HydrophobicContact CE2-CG 4.13Å; Y211-L215 PolarHBondContact O-N 2.7Å
212H94.8Very high94.6Very high90 Ų9071 Ų7142%0.41736%0.357SS..Hα-helixtrans-62.1-36.8178.2-172.370.7000112.4V208 D209 I210 L215 K216V208-H212 WeakPolarHBondContact O-CB 3.42Å; V208-H212 PolarHBondContact O-N 2.85Å; D209-H212 PolarHBondContact O-N 3.4Å; I210-H212 VanDerWaalsContact C-N 3.32Å; I210-H212 PolarHBondContact O-N 3.43Å; H212-L215 PolarHBondContact O-N 3.3Å; H212-K216 PolarHBondContact CD2-NZ 3.49Å; H212-K216 VanDerWaalsContact CD2-NZ 3.33Å; H212-K216 WeakPolarHBondContact NE2-CE 3.45Å; H212-K216 PolarHBondContact NE2-NZ 3.43Å; H212-K216 WeakPolarHBondContact O-CG 3.37Å; H212-K216 PolarHBondContact O-N 2.95Å
213S95.7Very high94.4Very high76 Ų7673.6 Ų73.653%0.53136%0.357SS..Hα-helixtrans-62.3-42.6171.9-173.90000112.2D209 I210 Y211 L215 K216 E217D209-S213 PolarHBondContact O-N 3.45Å; I210-S213 WeakPolarHBondContact O-CB 3.26Å; I210-S213 PolarHBondContact O-N 3.2Å; Y211-S213 VanDerWaalsContact C-N 3.29Å; Y211-S213 PolarHBondContact O-N 3.25Å; S213-L215 PolarHBondContact O-N 3.35Å; S213-K216 WeakPolarHBondContact O-CB 2.89Å; S213-K216 PolarHBondContact O-N 3.28Å; S213-E217 PolarHBondContact O-N 2.94Å
214R95.2Very high94.2Very high74 Ų7469.8 Ų69.828%0.27934%0.337SS..Hα-helixtrans-61.6-43.1175.5-64174.8111.5176.6-5111.4D180 A183 D186 I210 Y211 K216 E217 R218D180-R214 VanDerWaalsContact CG-NH2 3.27Å; D180-R214 IonicContact OD1-CZ 4Å; D180-R214 IonicContact OD1-NE 3.23Å; D180-R214 IonicContact OD1-NH2 3.45Å; D180-R214 PolarHBondContact OD1-NH2 3.21Å; D180-R214 IonicContact OD2-CZ 3.52Å; D180-R214 IonicContact OD2-NE 3.12Å; D180-R214 PolarHBondContact OD2-NE 2.81Å; D180-R214 IonicContact OD2-NH2 2.84Å; D180-R214 PolarHBondContact OD2-NH2 3.47Å; A183-R214 HydrophobicContact CB-CB 4.3Å; D186-R214 IonicContact OD1-NH1 3.04Å; D186-R214 IonicContact OD2-CZ 2.97Å; D186-R214 IonicContact OD2-NH1 3.48Å; D186-R214 PolarHBondContact OD2-NH1 3.26Å; I210-R214 WeakPolarHBondContact O-CG 3.35Å; I210-R214 PolarHBondContact O-N 3.49Å; Y211-R214 WeakPolarHBondContact O-CB 3.46Å; Y211-R214 PolarHBondContact O-N 2.88Å; R214-K216 PolarHBondContact O-N 3.04Å; R214-E217 PolarHBondContact O-N 3.09Å; R214-R218 WeakPolarHBondContact O-CB 3.43Å; R214-R218 PolarHBondContact O-N 3.16Å
215L93.8Very high93.9Very high52 Ų5271.3 Ų71.327%0.27235%0.346SS..Hα-helixtrans-62.3-41.6174.5-71.5-171.4000113Y211 H212 S213 E217 R218 Q219Y211-L215 HydrophobicContact CD1-CD1 4.09Å; Y211-L215 HydrophobicContact CD1-CG 4.33Å; Y211-L215 HydrophobicContact CE1-CD1 3.37Å; Y211-L215 HydrophobicContact CE1-CD2 4.45Å; Y211-L215 HydrophobicContact CE1-CG 3.84Å; Y211-L215 HydrophobicContact CE2-CD1 4.48Å; Y211-L215 HydrophobicContact CE2-CD2 4.14Å; Y211-L215 HydrophobicContact CE2-CG 4.13Å; Y211-L215 PolarHBondContact O-N 2.7Å; H212-L215 PolarHBondContact O-N 3.3Å; S213-L215 PolarHBondContact O-N 3.35Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-E217 PolarHBondContact O-N 3.15Å; L215-R218 WeakPolarHBondContact O-CB 3.4Å; L215-R218 PolarHBondContact O-N 2.97Å; L215-Q219 WeakPolarHBondContact O-CB 3.49Å; L215-Q219 PolarHBondContact O-N 3.06Å
216K95.4Very high93.5Very high130 Ų13074.9 Ų74.957%0.56536%0.355SS*.Hα-helixtrans-60.3-43.4175.2-79.4177.3173.6157.60111.6H212 S213 R214 Q219 R220H212-K216 PolarHBondContact CD2-NZ 3.49Å; H212-K216 VanDerWaalsContact CD2-NZ 3.33Å; H212-K216 WeakPolarHBondContact NE2-CE 3.45Å; H212-K216 PolarHBondContact NE2-NZ 3.43Å; H212-K216 WeakPolarHBondContact O-CG 3.37Å; H212-K216 PolarHBondContact O-N 2.95Å; S213-K216 WeakPolarHBondContact O-CB 2.89Å; S213-K216 PolarHBondContact O-N 3.28Å; R214-K216 PolarHBondContact O-N 3.04Å; K216-Q219 PolarHBondContact O-N 3.38Å; K216-R220 VanDerWaalsContact O-CB 3.28Å; K216-R220 WeakPolarHBondContact O-CB 3.46Å; K216-R220 PolarHBondContact O-N 3Å
217E94.5Very high93.2Very high55 Ų5575.9 Ų75.926%0.25736%0.355SS..Hα-helixtrans-68.3-39177.5179.860.2-17200111.9F179 S213 R214 L215 Q219 R220 R221F179-E217 HydrophobicContact CD1-CG 4.27Å; F179-E217 HydrophobicContact CE1-CB 4.37Å; F179-E217 HydrophobicContact CE1-CG 3.7Å; S213-E217 PolarHBondContact O-N 2.94Å; R214-E217 PolarHBondContact O-N 3.09Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-E217 PolarHBondContact O-N 3.15Å; E217-Q219 PolarHBondContact O-N 2.95Å; E217-R220 PolarHBondContact O-N 3.08Å; E217-R220 IonicContact OE1-NH1 3.14Å; E217-R220 PolarHBondContact OE1-NH1 3.14Å; E217-R220 IonicContact OE2-NH1 3.5Å; E217-R220 PolarHBondContact OE2-NH1 3.09Å; E217-R221 WeakPolarHBondContact O-CG 3.49Å; E217-R221 PolarHBondContact O-N 2.8Å; E217-R221 IonicContact OE1-CZ 2.8Å; E217-R221 IonicContact OE1-NE 3.31Å; E217-R221 PolarHBondContact OE1-NE 3.45Å; E217-R221 IonicContact OE1-NH2 2.83Å; E217-R221 PolarHBondContact OE1-NH2 2.97Å; E217-R221 VanDerWaalsContact OE1-NH2 3.14Å
218R93.5Very high92.8Very high25 Ų2575.5 Ų75.59%0.09435%0.35CS..Hα-helixtrans-56.5-50172-171.1-172.4-67.8163-4.1110.9E178 F179 D180 E184 R214 L215 R220 R221 K222E178-R218 WeakPolarHBondContact OE2-CD 3.42Å; E178-R218 WeakPolarHBondContact OE2-CG 3.41Å; F179-R218 HydrophobicContact CB-CG 4.34Å; F179-R218 HydrophobicContact CD1-CB 4.41Å; F179-R218 PolarHBondContact O-NE 3.24Å; D180-R218 PolarHBondContact O-NH2 2.77Å; E184-R218 IonicContact OE1-CZ 2.78Å; E184-R218 IonicContact OE1-NH1 2.9Å; E184-R218 PolarHBondContact OE1-NH1 2.96Å; E184-R218 IonicContact OE1-NH2 3.82Å; E184-R218 PolarHBondContact OE1-NH2 3.19Å; E184-R218 IonicContact OE2-NH2 3.28Å; E184-R218 PolarHBondContact OE2-NH2 3.47Å; R214-R218 WeakPolarHBondContact O-CB 3.43Å; R214-R218 PolarHBondContact O-N 3.16Å; L215-R218 WeakPolarHBondContact O-CB 3.4Å; L215-R218 PolarHBondContact O-N 2.97Å; R218-R220 PolarHBondContact O-N 3.04Å; R218-R221 PolarHBondContact O-N 2.86Å; R218-K222 PolarHBondContact O-N 3.49Å; R218-K222 VanDerWaalsContact O-N 3.11Å
219Q92.9Very high92.4Very high115 Ų11575 Ų7554%0.53736%0.356SS..Hα-helixtrans-64.5-41.1177.8-175.6625.800112.5L215 K216 E217 R221 K222 K223L215-Q219 WeakPolarHBondContact O-CB 3.49Å; L215-Q219 PolarHBondContact O-N 3.06Å; K216-Q219 PolarHBondContact O-N 3.38Å; E217-Q219 PolarHBondContact O-N 2.95Å; Q219-R221 VanDerWaalsContact C-N 3.32Å; Q219-R221 PolarHBondContact O-N 3.26Å; Q219-K222 PolarHBondContact O-N 3.28Å; Q219-K223 WeakPolarHBondContact O-CB 3.49Å; Q219-K223 PolarHBondContact O-N 2.78Å
220R93.1Very high92Very high107 Ų10772.1 Ų72.140%0.40434%0.341SS..Hα-helixtrans-59.2-43.2176.5177.9174.4167.3-87-8.4111.5K216 E217 R218 K223 I224 R259K216-R220 VanDerWaalsContact O-CB 3.28Å; K216-R220 WeakPolarHBondContact O-CB 3.46Å; K216-R220 PolarHBondContact O-N 3Å; E217-R220 PolarHBondContact O-N 3.08Å; E217-R220 IonicContact OE1-NH1 3.14Å; E217-R220 PolarHBondContact OE1-NH1 3.14Å; E217-R220 IonicContact OE2-NH1 3.5Å; E217-R220 PolarHBondContact OE2-NH1 3.09Å; R218-R220 PolarHBondContact O-N 3.04Å; R220-K223 PolarHBondContact O-N 3.41Å; R220-I224 HydrophobicContact CG-CD1 4.06Å; R220-I224 WeakPolarHBondContact O-CG1 3.2Å; R220-I224 PolarHBondContact O-N 3.01Å; R220-R259 PolarHBondContact NH2-O 2.95Å; R220-R259 VanDerWaalsContact NH2-O 3.14Å
221R91.8Very high91.6Very high95 Ų9569 Ų6936%0.35832%0.324SS..Hα-helixtrans-66-44.9177.8-71.9179.3-174.7-164.810.3112.5F179 E217 R218 Q219 K223 I224 I225F179-R221 VanDerWaalsContact CE2-CZ 3.45Å; F179-R221 VanDerWaalsContact CZ-NH1 3.3Å; E217-R221 WeakPolarHBondContact O-CG 3.49Å; E217-R221 PolarHBondContact O-N 2.8Å; E217-R221 IonicContact OE1-CZ 2.8Å; E217-R221 IonicContact OE1-NE 3.31Å; E217-R221 PolarHBondContact OE1-NE 3.45Å; E217-R221 IonicContact OE1-NH2 2.83Å; E217-R221 PolarHBondContact OE1-NH2 2.97Å; E217-R221 VanDerWaalsContact OE1-NH2 3.14Å; R218-R221 PolarHBondContact O-N 2.86Å; Q219-R221 VanDerWaalsContact C-N 3.32Å; Q219-R221 PolarHBondContact O-N 3.26Å; R221-K223 VanDerWaalsContact C-N 3.28Å; R221-K223 PolarHBondContact O-N 3.43Å; R221-I224 PolarHBondContact O-N 2.71Å; R221-I225 WeakPolarHBondContact O-CG1 3.06Å; R221-I225 PolarHBondContact O-N 3.32Å
222K90.9Very high91Very high41 Ų4168.8 Ų68.818%0.17833%0.326CS..Hα-helixtrans-55.9-45.6173.9-73.1-178.4-176.1179.40111.7D174 F175 E178 R218 Q219 I224 I225 R226D174-K222 WeakPolarHBondContact OD1-CE 3.48Å; D174-K222 IonicContact OD1-NZ 3.05Å; D174-K222 PolarHBondContact OD1-NZ 3.49Å; F175-K222 HydrophobicContact CE2-CG 4.45Å; E178-K222 WeakPolarHBondContact OE1-CE 3.5Å; E178-K222 IonicContact OE1-NZ 2.97Å; E178-K222 PolarHBondContact OE1-NZ 3.31Å; E178-K222 WeakPolarHBondContact OE2-CE 3.28Å; E178-K222 IonicContact OE2-NZ 2.63Å; E178-K222 PolarHBondContact OE2-NZ 3.49Å; R218-K222 PolarHBondContact O-N 3.49Å; R218-K222 VanDerWaalsContact O-N 3.11Å; Q219-K222 PolarHBondContact O-N 3.28Å; K222-I224 PolarHBondContact O-N 3.06Å; K222-I225 PolarHBondContact O-N 2.96Å; K222-R226 WeakPolarHBondContact O-CB 2.76Å; K222-R226 PolarHBondContact O-N 3.39Å
223K91.3Very high90.3Very high113 Ų11368.3 Ų68.349%0.49133%0.326SS..Hα-helixtrans-58.2-49.1177.2-177.3174.2-179-175.30111.4Q219 R220 R221 I225 R226 D227Q219-K223 WeakPolarHBondContact O-CB 3.49Å; Q219-K223 PolarHBondContact O-N 2.78Å; R220-K223 PolarHBondContact O-N 3.41Å; R221-K223 VanDerWaalsContact C-N 3.28Å; R221-K223 PolarHBondContact O-N 3.43Å; K223-I225 PolarHBondContact O-N 2.91Å; K223-R226 PolarHBondContact O-N 3.11Å; K223-D227 WeakPolarHBondContact CE-OD2 3.37Å; K223-D227 WeakPolarHBondContact CG-OD2 3.37Å; K223-D227 WeakPolarHBondContact O-CB 3.04Å; K223-D227 PolarHBondContact O-N 2.55Å
224I90.9Very high89.5Confident30 Ų3070.2 Ų70.215%0.15432%0.322CS..Hα-helixtrans-60.4-46.6177.9-67.1162.1000111.2R220 R221 K222 R226 D227 H228 R259R220-I224 HydrophobicContact CG-CD1 4.06Å; R220-I224 WeakPolarHBondContact O-CG1 3.2Å; R220-I224 PolarHBondContact O-N 3.01Å; R221-I224 PolarHBondContact O-N 2.71Å; K222-I224 PolarHBondContact O-N 3.06Å; I224-R226 VanDerWaalsContact C-N 3.33Å; I224-R226 PolarHBondContact O-N 2.65Å; I224-D227 PolarHBondContact O-N 3.49Å; I224-H228 WeakPolarHBondContact O-CB 3.4Å; I224-H228 PolarHBondContact O-CD2 2.99Å; I224-H228 VanDerWaalsContact O-CD2 3.28Å; I224-H228 PolarHBondContact O-N 2.84Å; I224-H228 VanDerWaalsContact O-N 3.09Å; I224-R259 HydrophobicContact CD1-CB 4.48Å; I224-R259 HydrophobicContact CD1-CG 4.31Å
225I89.7Confident88.8Confident53 Ų5372.6 Ų72.627%0.27233%0.334SS..Hα-helixtrans-59.9-45179.8-69.1164.4000111F175 R221 K222 K223 G229 L230 I231F175-I225 HydrophobicContact CE2-CD1 4.48Å; F175-I225 HydrophobicContact CZ-CD1 4.32Å; F175-I225 HydrophobicContact CZ-CG2 4.14Å; R221-I225 WeakPolarHBondContact O-CG1 3.06Å; R221-I225 PolarHBondContact O-N 3.32Å; K222-I225 PolarHBondContact O-N 2.96Å; K223-I225 PolarHBondContact O-N 2.91Å; I225-G229 PolarHBondContact O-N 2.81Å; I225-L230 HydrophobicContact CG2-CB 4.21Å; I225-L230 PolarHBondContact O-N 2.72Å; I225-I231 HydrophobicContact CG2-CG1 3.73Å
226R87.9Confident88.2Confident143 Ų14371.2 Ų71.254%0.5433%0.326SS..Hα-helixtrans-66.9-52.3178.9-179-168.665.9-169.60.3111.8K222 K223 I224 H228 G229K222-R226 WeakPolarHBondContact O-CB 2.76Å; K222-R226 PolarHBondContact O-N 3.39Å; K223-R226 PolarHBondContact O-N 3.11Å; I224-R226 VanDerWaalsContact C-N 3.33Å; I224-R226 PolarHBondContact O-N 2.65Å; R226-H228 VanDerWaalsContact C-N 3.26Å; R226-H228 PolarHBondContact O-N 3.2Å; R226-G229 PolarHBondContact O-N 2.85Å
227D89.6Confident87.6Confident63 Ų6369.5 Ų69.534%0.33732%0.32SS..Hα-helixtrans-64.9-31.9-172.2-650.1000111K223 I224 P263K223-D227 WeakPolarHBondContact CE-OD2 3.37Å; K223-D227 WeakPolarHBondContact CG-OD2 3.37Å; K223-D227 WeakPolarHBondContact O-CB 3.04Å; K223-D227 PolarHBondContact O-N 2.55Å; I224-D227 PolarHBondContact O-N 3.49Å; D227-P263 HydrophobicContact CB-CG 4.31Å; D227-P263 VanDerWaalsContact O-CB 3.23Å; D227-P263 WeakPolarHBondContact O-CB 3.17Å; D227-P263 WeakPolarHBondContact O-CG 3.34Å
228H87.7Confident87.1Confident31 Ų3172 Ų7214%0.14433%0.334CS..THydrogen-bonded Turntrans-91.75.3173.8-69.8-89.9000114.6I224 R226 L230 A258 L261 P263I224-H228 WeakPolarHBondContact O-CB 3.4Å; I224-H228 PolarHBondContact O-CD2 2.99Å; I224-H228 VanDerWaalsContact O-CD2 3.28Å; I224-H228 PolarHBondContact O-N 2.84Å; I224-H228 VanDerWaalsContact O-N 3.09Å; R226-H228 VanDerWaalsContact C-N 3.26Å; R226-H228 PolarHBondContact O-N 3.2Å; H228-L230 VanDerWaalsContact C-N 3.27Å; H228-L230 HydrophobicContact CB-CD1 3.92Å; H228-L230 HydrophobicContact CB-CD2 4.46Å; H228-L230 HydrophobicContact CB-CG 3.77Å; H228-L230 PolarHBondContact O-N 3.41Å; H228-A258 PolarHBondContact NE2-O 3.45Å; H228-A258 VanDerWaalsContact NE2-O 3.09Å; H228-L261 PolarHBondContact CE1-O 2.92Å; H228-L261 VanDerWaalsContact CE1-O 3.31Å; H228-L261 PolarHBondContact NE2-O 3.29Å; H228-P263 VanDerWaalsContact CE1-CA 3.49Å; H228-P263 WeakPolarHBondContact CE1-CA 3.12Å
229G86.2Confident86.6Confident44 Ų4474.3 Ų74.345%0.45435%0.348SS..THydrogen-bonded Turntrans63.527.1177.900000114.9I225 R226 I231I225-G229 PolarHBondContact O-N 2.81Å; R226-G229 PolarHBondContact O-N 2.85Å; G229-I231 PolarHBondContact O-N 3.5Å
230L86.9Confident86.2Confident40 Ų4070.1 Ų70.121%0.20933%0.328CS..THydrogen-bonded Turntrans-80.93.7-172.7-61.7175.1000114.1I225 H228 F236I225-L230 HydrophobicContact CG2-CB 4.21Å; I225-L230 PolarHBondContact O-N 2.72Å; H228-L230 VanDerWaalsContact C-N 3.27Å; H228-L230 HydrophobicContact CB-CD1 3.92Å; H228-L230 HydrophobicContact CB-CD2 4.46Å; H228-L230 HydrophobicContact CB-CG 3.77Å; H228-L230 PolarHBondContact O-N 3.41Å; L230-F236 HydrophobicContact CD2-CD2 3.83Å; L230-F236 HydrophobicContact CD2-CE2 3.88Å
231I86.9Confident86Confident30 Ų3073.7 Ų73.715%0.15434%0.342CS..THydrogen-bonded Turntrans-67.4-40.5179-61.4166.8000110.9M165 Y168 I225 G229M165-I231 HydrophobicContact CE-CG2 3.95Å; Y168-I231 HydrophobicContact CD1-CG2 3.46Å; Y168-I231 VanDerWaalsContact CD1-CG2 3.46Å; Y168-I231 HydrophobicContact CD2-CD1 4.45Å; Y168-I231 HydrophobicContact CD2-CG2 4.37Å; Y168-I231 HydrophobicContact CE1-CD1 3.96Å; Y168-I231 HydrophobicContact CE1-CG2 3.89Å; Y168-I231 HydrophobicContact CE2-CD1 3.92Å; Y168-I231 HydrophobicContact CE2-CG1 4.48Å; Y168-I231 HydrophobicContact CG-CG2 3.71Å; I225-I231 HydrophobicContact CG2-CG1 3.73Å; G229-I231 PolarHBondContact O-N 3.5Å
232N82.6Confident85.8Confident38 Ų3877 Ų7720%0.20335%0.354CS..  trans-106.186.3179.2-171.7-24.3000110.4R234 K235 F236N232-R234 PolarHBondContact O-N 2.97Å; N232-R234 PolarHBondContact OD1-N 3.24Å; N232-K235 HydrophobicContact CB-CB 4.11Å; N232-K235 PolarHBondContact O-N 2.89Å; N232-K235 PolarHBondContact OD1-N 3.04Å; N232-F236 PolarHBondContact O-N 3.14Å; N232-F236 VanDerWaalsContact O-N 3.07Å
233L79.4Confident85.8Confident80 Ų8076.6 Ų76.642%0.41935%0.352SS..Hα-helixtrans-57.6-33-179.6-74.5164.3000113.2F236 Q237L233-F236 WeakPolarHBondContact O-CB 3.36Å; L233-F236 PolarHBondContact O-N 3.37Å; L233-Q237 WeakPolarHBondContact O-CB 3.5Å; L233-Q237 VanDerWaalsContact O-CG 3.23Å; L233-Q237 WeakPolarHBondContact O-CG 3.32Å; L233-Q237 PolarHBondContact O-N 2.89Å
234R79.9Confident85.8Confident116 Ų11672.9 Ų72.944%0.43834%0.339SS..Hα-helixtrans-68.3-48.5177.7-77.5-173.7-169.1-170.51.2112.2D164 N232 F236 Q237 I238D164-R234 IonicContact OD2-CZ 3.91Å; D164-R234 VanDerWaalsContact OD2-CZ 3.23Å; D164-R234 IonicContact OD2-NE 3.79Å; D164-R234 PolarHBondContact OD2-NE 3.43Å; D164-R234 IonicContact OD2-NH2 3.57Å; D164-R234 PolarHBondContact OD2-NH2 2.83Å; N232-R234 PolarHBondContact O-N 2.97Å; N232-R234 PolarHBondContact OD1-N 3.24Å; R234-F236 PolarHBondContact O-N 3.31Å; R234-Q237 PolarHBondContact O-N 3.42Å; R234-I238 VanDerWaalsContact O-CG1 3.31Å; R234-I238 WeakPolarHBondContact O-CG1 3.48Å; R234-I238 PolarHBondContact O-N 3.18Å
235K80.4Confident85.8Confident123 Ų12378.5 Ų78.554%0.53536%0.363SS..Hα-helixtrans-58-41.5177.1-170.6174.1-177.3175.80109.7N232 I238 L239N232-K235 HydrophobicContact CB-CB 4.11Å; N232-K235 PolarHBondContact O-N 2.89Å; N232-K235 PolarHBondContact OD1-N 3.04Å; K235-I238 PolarHBondContact O-N 3.04Å; K235-L239 WeakPolarHBondContact O-CG 3.23Å; K235-L239 PolarHBondContact O-N 3.21Å; K235-L239 VanDerWaalsContact O-N 3.15Å
236F80Confident85.9Confident23 Ų2381.2 Ų81.210%0.10137%0.374CS..Hα-helixtrans-57.3-54.5173.6-169-74.1000112.6L230 N232 L233 R234 I238 L239 E240 Y251 R255L230-F236 HydrophobicContact CD2-CD2 3.83Å; L230-F236 HydrophobicContact CD2-CE2 3.88Å; N232-F236 PolarHBondContact O-N 3.14Å; N232-F236 VanDerWaalsContact O-N 3.07Å; L233-F236 WeakPolarHBondContact O-CB 3.36Å; L233-F236 PolarHBondContact O-N 3.37Å; R234-F236 PolarHBondContact O-N 3.31Å; F236-I238 VanDerWaalsContact C-N 3.26Å; F236-I238 PolarHBondContact O-N 3.17Å; F236-L239 WeakPolarHBondContact O-CB 3.46Å; F236-L239 PolarHBondContact O-N 3.05Å; F236-L239 VanDerWaalsContact O-N 3.07Å; F236-E240 HydrophobicContact CE1-CB 4.32Å; F236-E240 WeakPolarHBondContact CE1-OE2 3.45Å; F236-E240 PolarHBondContact O-N 3.16Å; F236-Y251 HydrophobicContact CE1-CD1 4.45Å; F236-Y251 HydrophobicContact CE1-CE1 4.02Å; F236-Y251 HydrophobicContact CE2-CE1 4.32Å; F236-Y251 HydrophobicContact CZ-CD1 4.16Å; F236-Y251 AromaticContact CZ-CE1 3.33Å; F236-Y251 HydrophobicContact CZ-CE1 3.33Å; F236-Y251 AromaticContact CZ-CZ 3.55Å; F236-Y251 WeakPolarHBondContact CZ-OH 3.36Å; F236-R255 VanDerWaalsContact CD1-NH1 3.34Å
237Q82.8Confident86.1Confident94 Ų9474.4 Ų74.444%0.43935%0.348SS..Hα-helixtrans-60.1-35-179.5-74.6169.2100112.7L233 R234 E240 R241L233-Q237 WeakPolarHBondContact O-CB 3.5Å; L233-Q237 VanDerWaalsContact O-CG 3.23Å; L233-Q237 WeakPolarHBondContact O-CG 3.32Å; L233-Q237 PolarHBondContact O-N 2.89Å; R234-Q237 PolarHBondContact O-N 3.42Å; Q237-E240 PolarHBondContact O-N 2.82Å; Q237-R241 WeakPolarHBondContact O-CG 3.47Å; Q237-R241 PolarHBondContact O-N 3.21Å; Q237-R241 VanDerWaalsContact O-N 3.11Å
238I84.8Confident86.2Confident109 Ų10974 Ų7456%0.55935%0.345SS*.Hα-helixtrans-65.4-41.6175.7-68.1165.1000110.8R234 K235 F236 E240 R241R234-I238 VanDerWaalsContact O-CG1 3.31Å; R234-I238 WeakPolarHBondContact O-CG1 3.48Å; R234-I238 PolarHBondContact O-N 3.18Å; K235-I238 PolarHBondContact O-N 3.04Å; F236-I238 VanDerWaalsContact C-N 3.26Å; F236-I238 PolarHBondContact O-N 3.17Å; I238-E240 VanDerWaalsContact C-N 3.34Å; I238-R241 PolarHBondContact O-N 2.76Å
239L82.6Confident86.4Confident72 Ų7276.4 Ų76.438%0.37736%0.358SS..Hα-helixtrans-65.6-38.9178-67.1167.7000111.7K235 F236 R242K235-L239 WeakPolarHBondContact O-CG 3.23Å; K235-L239 PolarHBondContact O-N 3.21Å; K235-L239 VanDerWaalsContact O-N 3.15Å; F236-L239 WeakPolarHBondContact O-CB 3.46Å; F236-L239 PolarHBondContact O-N 3.05Å; F236-L239 VanDerWaalsContact O-N 3.07Å; L239-R242 WeakPolarHBondContact O-CB 3.41Å; L239-R242 WeakPolarHBondContact O-CG 3.49Å; L239-R242 PolarHBondContact O-N 3.4Å; L239-R242 PolarHBondContact O-NE 2.8Å
240E84.9Confident86.6Confident27 Ų2776.2 Ų76.213%0.12635%0.346CS..Hα-helixtrans-65.5-36.8178-170.1167.8-156.900112.1F236 Q237 I238 R242 Y243 Q248 Y251 R255F236-E240 HydrophobicContact CE1-CB 4.32Å; F236-E240 WeakPolarHBondContact CE1-OE2 3.45Å; F236-E240 PolarHBondContact O-N 3.16Å; Q237-E240 PolarHBondContact O-N 2.82Å; I238-E240 VanDerWaalsContact C-N 3.34Å; E240-R242 PolarHBondContact O-N 3.01Å; E240-Y243 WeakPolarHBondContact O-CD2 3.32Å; E240-Y243 PolarHBondContact O-N 3.06Å; E240-Y243 VanDerWaalsContact O-N 3.15Å; E240-Q248 HydrophobicContact CG-CG 4.31Å; E240-Q248 WeakPolarHBondContact O-CG 3.31Å; E240-Y251 HydrophobicContact CG-CG 4.47Å; E240-R255 IonicContact OE1-NH2 3.68Å; E240-R255 PolarHBondContact OE1-NH2 2.99Å; E240-R255 VanDerWaalsContact OE1-NH2 3.12Å; E240-R255 IonicContact OE2-NH2 2.63Å; E240-R255 PolarHBondContact OE2-NH2 3.05Å
241R88.2Confident86.7Confident182 Ų18275.2 Ų75.269%0.68734%0.34SS*.THydrogen-bonded Turntrans-62.3-12.9176.4-76.9175.7-175-176.23.2114.9Q237 I238 Y243Q237-R241 WeakPolarHBondContact O-CG 3.47Å; Q237-R241 PolarHBondContact O-N 3.21Å; Q237-R241 VanDerWaalsContact O-N 3.11Å; I238-R241 PolarHBondContact O-N 2.76Å; R241-Y243 VanDerWaalsContact C-N 3.26Å; R241-Y243 PolarHBondContact O-N 3.33Å
242R89Confident86.8Confident165 Ų16579.7 Ų79.762%0.62336%0.361SS*.THydrogen-bonded Turntrans-71.2-23.8176.6-62.3-178-62.91737.9112.4L239 E240L239-R242 WeakPolarHBondContact O-CB 3.41Å; L239-R242 WeakPolarHBondContact O-CG 3.49Å; L239-R242 PolarHBondContact O-N 3.4Å; L239-R242 PolarHBondContact O-NE 2.8Å; E240-R242 PolarHBondContact O-N 3.01Å
243Y90.4Very high87.2Confident33 Ų3381.6 Ų81.613%0.12937%0.374CS..SBendtrans-87.4157.3-177.8-56.7-72.8000112.5E240 R241 V247 Q248 Y251 I270 E271 A274E240-Y243 WeakPolarHBondContact O-CD2 3.32Å; E240-Y243 PolarHBondContact O-N 3.06Å; E240-Y243 VanDerWaalsContact O-N 3.15Å; R241-Y243 VanDerWaalsContact C-N 3.26Å; R241-Y243 PolarHBondContact O-N 3.33Å; Y243-V247 HydrophobicContact CD1-CG1 3.96Å; Y243-V247 HydrophobicContact CG-CG1 3.86Å; Y243-Q248 PolarHBondContact O-NE2 3.05Å; Y243-Y251 HydrophobicContact CE2-CD2 4.39Å; Y243-I270 HydrophobicContact CE2-CG2 4.38Å; Y243-E271 PolarHBondContact OH-OE1 2.94Å; Y243-A274 HydrophobicContact CD1-CB 3.91Å; Y243-A274 HydrophobicContact CE1-CB 4.09Å
244P91.3Very high87.6Confident34 Ų3479.3 Ų79.322%0.22136%0.361CS..  trans-57.9156.3166.2-22.734.3000112.2E246 V247 Q248 F277P244-E246 VanDerWaalsContact C-N 3.28Å; P244-E246 PolarHBondContact O-N 3.07Å; P244-V247 HydrophobicContact CB-CG2 4.44Å; P244-V247 HydrophobicContact CG-CG2 4.42Å; P244-V247 PolarHBondContact O-N 3.26Å; P244-Q248 WeakPolarHBondContact O-CG 3.42Å; P244-Q248 PolarHBondContact O-N 3.49Å; P244-F277 HydrophobicContact CB-CD1 4.17Å; P244-F277 HydrophobicContact CB-CE1 3.57Å; P244-F277 HydrophobicContact CB-CZ 4.1Å; P244-F277 HydrophobicContact CG-CD1 3.88Å; P244-F277 HydrophobicContact CG-CE1 3.63Å
245K91.4Very high87.9Confident149 Ų14977 Ų7765%0.64835%0.352SS*.Hα-helixtrans-56.7-40.6-175.1-173175.2178.6-1780112.7V247 Q248 D249K245-V247 VanDerWaalsContact C-N 3.27Å; K245-V247 PolarHBondContact O-N 3.04Å; K245-Q248 WeakPolarHBondContact O-CB 3.43Å; K245-Q248 PolarHBondContact O-N 3.19Å; K245-D249 VanDerWaalsContact O-CG 3.25Å; K245-D249 PolarHBondContact O-N 3.35Å
246E90.5Very high88.3Confident109 Ų10979.6 Ų79.651%0.50936%0.359SS..Hα-helixtrans-62.4-35.7178.8-61.884.3170.600112.4P244 L250 F277P244-E246 VanDerWaalsContact C-N 3.28Å; P244-E246 PolarHBondContact O-N 3.07Å; E246-L250 PolarHBondContact O-N 2.99Å; E246-F277 HydrophobicContact CB-CD2 4.21Å; E246-F277 HydrophobicContact CB-CE2 3.72Å; E246-F277 HydrophobicContact CB-CZ 4.26Å; E246-F277 HydrophobicContact CG-CE2 3.77Å; E246-F277 HydrophobicContact CG-CZ 4.19Å; E246-F277 WeakPolarHBondContact OE2-CZ 3.47Å
247V92.3Very high88.7Confident0 Ų083.4 Ų83.40%038%0.375CS..Hα-helixtrans-77.8-35.3177.3179.30000110.6Y243 P244 K245 L250 Y251 A274 F277Y243-V247 HydrophobicContact CD1-CG1 3.96Å; Y243-V247 HydrophobicContact CG-CG1 3.86Å; P244-V247 HydrophobicContact CB-CG2 4.44Å; P244-V247 HydrophobicContact CG-CG2 4.42Å; P244-V247 PolarHBondContact O-N 3.26Å; K245-V247 VanDerWaalsContact C-N 3.27Å; K245-V247 PolarHBondContact O-N 3.04Å; V247-L250 PolarHBondContact O-N 3.4Å; V247-Y251 WeakPolarHBondContact O-CB 3.48Å; V247-Y251 PolarHBondContact O-N 3.31Å; V247-A274 HydrophobicContact CG1-CB 3.94Å; V247-A274 HydrophobicContact CG2-CB 4.43Å; V247-F277 HydrophobicContact CG2-CB 4Å; V247-F277 HydrophobicContact CG2-CD1 4.22Å; V247-F277 HydrophobicContact CG2-CG 4.02Å
248Q91.9Very high88.8Confident56 Ų5679.4 Ų79.426%0.26236%0.358SS..Hα-helixtrans-60.9-45.3171.6-66.2177.620.300111.4E240 Y243 P244 K245 L250 Y251 E252E240-Q248 HydrophobicContact CG-CG 4.31Å; E240-Q248 WeakPolarHBondContact O-CG 3.31Å; Y243-Q248 PolarHBondContact O-NE2 3.05Å; P244-Q248 WeakPolarHBondContact O-CG 3.42Å; P244-Q248 PolarHBondContact O-N 3.49Å; K245-Q248 WeakPolarHBondContact O-CB 3.43Å; K245-Q248 PolarHBondContact O-N 3.19Å; Q248-L250 VanDerWaalsContact C-N 3.29Å; Q248-L250 PolarHBondContact O-N 3.29Å; Q248-Y251 WeakPolarHBondContact O-CA 3.35Å; Q248-Y251 VanDerWaalsContact O-CB 3.31Å; Q248-Y251 WeakPolarHBondContact O-CB 3.5Å; Q248-Y251 PolarHBondContact O-N 2.95Å; Q248-E252 PolarHBondContact O-N 2.94Å
249D91.3Very high88.9Confident81 Ų8181.9 Ų81.943%0.43336%0.361SS..Hα-helixtrans-61.7-38.3178.1-66-18.6000111.4K245 T253K245-D249 VanDerWaalsContact O-CG 3.25Å; K245-D249 PolarHBondContact O-N 3.35Å; D249-T253 PolarHBondContact O-N 2.8Å; D249-T253 VanDerWaalsContact O-N 3.13Å; D249-T253 PolarHBondContact O-OG1 3.15Å
250L90.9Very high89.2Confident39 Ų3985.4 Ų85.420%0.20438%0.379CS..Hα-helixtrans-64.8-45.8171.1178.967.3000111.2E246 V247 Q248 E252 T253 M254 F269 H273E246-L250 PolarHBondContact O-N 2.99Å; V247-L250 PolarHBondContact O-N 3.4Å; Q248-L250 VanDerWaalsContact C-N 3.29Å; Q248-L250 PolarHBondContact O-N 3.29Å; L250-E252 VanDerWaalsContact C-N 3.31Å; L250-E252 PolarHBondContact O-N 3.47Å; L250-T253 WeakPolarHBondContact O-CB 3.33Å; L250-T253 PolarHBondContact O-N 3.5Å; L250-T253 VanDerWaalsContact O-N 3.16Å; L250-M254 HydrophobicContact CD1-CG 3.76Å; L250-M254 HydrophobicContact CD1-SD 4.39Å; L250-M254 HydrophobicContact CG-CG 3.96Å; L250-M254 WeakPolarHBondContact O-CB 3.43Å; L250-M254 VanDerWaalsContact O-CG 3.27Å; L250-M254 WeakPolarHBondContact O-CG 3.22Å; L250-M254 PolarHBondContact O-N 3.29Å; L250-F269 HydrophobicContact CD2-CE1 4.04Å; L250-H273 HydrophobicContact CD2-CB 3.77Å; L250-H273 WeakPolarHBondContact CD2-CD2 3.38Å
251Y89.6Confident89.3Confident19 Ų1987 Ų878%0.07539%0.387CS..Hα-helixtrans-54.5-49.9178.7-158.5-57.9000110.5F236 E240 Y243 V247 Q248 T253 M254 R255 H266 I270F236-Y251 HydrophobicContact CE1-CD1 4.45Å; F236-Y251 HydrophobicContact CE1-CE1 4.02Å; F236-Y251 HydrophobicContact CE2-CE1 4.32Å; F236-Y251 HydrophobicContact CZ-CD1 4.16Å; F236-Y251 AromaticContact CZ-CE1 3.33Å; F236-Y251 HydrophobicContact CZ-CE1 3.33Å; F236-Y251 AromaticContact CZ-CZ 3.55Å; F236-Y251 WeakPolarHBondContact CZ-OH 3.36Å; E240-Y251 HydrophobicContact CG-CG 4.47Å; Y243-Y251 HydrophobicContact CE2-CD2 4.39Å; V247-Y251 WeakPolarHBondContact O-CB 3.48Å; V247-Y251 PolarHBondContact O-N 3.31Å; Q248-Y251 WeakPolarHBondContact O-CA 3.35Å; Q248-Y251 VanDerWaalsContact O-CB 3.31Å; Q248-Y251 WeakPolarHBondContact O-CB 3.5Å; Q248-Y251 PolarHBondContact O-N 2.95Å; Y251-T253 VanDerWaalsContact C-N 3.32Å; Y251-T253 PolarHBondContact O-N 2.92Å; Y251-M254 PolarHBondContact O-N 2.79Å; Y251-M254 VanDerWaalsContact O-N 3.15Å; Y251-R255 PolarHBondContact O-N 2.83Å; Y251-H266 AromaticContact CE1-CE1 3.68Å; Y251-H266 AromaticContact CZ-CE1 3.77Å; Y251-I270 HydrophobicContact CD2-CB 4.17Å; Y251-I270 HydrophobicContact CD2-CD1 3.97Å; Y251-I270 HydrophobicContact CD2-CG1 3.76Å; Y251-I270 HydrophobicContact CD2-CG2 3.41Å; Y251-I270 VanDerWaalsContact CD2-CG2 3.41Å; Y251-I270 HydrophobicContact CE2-CB 4.15Å; Y251-I270 HydrophobicContact CE2-CD1 4.42Å; Y251-I270 HydrophobicContact CE2-CG1 3.76Å; Y251-I270 HydrophobicContact CE2-CG2 3.68Å; Y251-I270 HydrophobicContact CG-CD1 4.16Å; Y251-I270 HydrophobicContact CG-CG1 4.38Å; Y251-I270 HydrophobicContact CG-CG2 4.5Å
252E88.6Confident89.4Confident125 Ų12579.5 Ų79.558%0.58437%0.367SS*.Hα-helixtrans-59.2-42.8178.5-172.8176-178.100111.9Q248 L250 R255Q248-E252 PolarHBondContact O-N 2.94Å; L250-E252 VanDerWaalsContact C-N 3.31Å; L250-E252 PolarHBondContact O-N 3.47Å; E252-R255 WeakPolarHBondContact O-CB 3.41Å; E252-R255 PolarHBondContact O-N 3.31Å
253T90.4Very high89.4Confident78 Ų7873.4 Ų73.448%0.47935%0.349SS..Hα-helixtrans-62.2-44.9175.8-57.10000111.2D249 L250 Y251 R255D249-T253 PolarHBondContact O-N 2.8Å; D249-T253 VanDerWaalsContact O-N 3.13Å; D249-T253 PolarHBondContact O-OG1 3.15Å; L250-T253 WeakPolarHBondContact O-CB 3.33Å; L250-T253 PolarHBondContact O-N 3.5Å; L250-T253 VanDerWaalsContact O-N 3.16Å; Y251-T253 VanDerWaalsContact C-N 3.32Å; Y251-T253 PolarHBondContact O-N 2.92Å; T253-R255 VanDerWaalsContact C-N 3.31Å; T253-R255 PolarHBondContact O-N 2.91Å
254M89.4Confident89.5Confident31 Ų3175.6 Ų75.615%0.15337%0.366CS..Hα-helixtrans-72.6-22.6-177.2-70.8-58-6400113.2L250 Y251 R256 F257 H266 F269 I270L250-M254 HydrophobicContact CD1-CG 3.76Å; L250-M254 HydrophobicContact CD1-SD 4.39Å; L250-M254 HydrophobicContact CG-CG 3.96Å; L250-M254 WeakPolarHBondContact O-CB 3.43Å; L250-M254 VanDerWaalsContact O-CG 3.27Å; L250-M254 WeakPolarHBondContact O-CG 3.22Å; L250-M254 PolarHBondContact O-N 3.29Å; Y251-M254 PolarHBondContact O-N 2.79Å; Y251-M254 VanDerWaalsContact O-N 3.15Å; M254-R256 PolarHBondContact O-N 3.24Å; M254-R256 VanDerWaalsContact O-N 3.12Å; M254-F257 HydrophobicContact CE-CD2 4.36Å; M254-F257 WeakPolarHBondContact O-CB 3.45Å; M254-F257 PolarHBondContact O-N 2.95Å; M254-F257 HydrophobicContact SD-CD2 4.12Å; M254-F257 HydrophobicContact SD-CE2 4.41Å; M254-H266 PolarHBondContact O-NE2 2.81Å; M254-F269 HydrophobicContact CE-CD1 3.81Å; M254-F269 HydrophobicContact CE-CE1 3.6Å; M254-F269 HydrophobicContact CE-CZ 4.17Å; M254-F269 HydrophobicContact CG-CD1 4.25Å; M254-F269 HydrophobicContact CG-CE1 3.73Å; M254-F269 HydrophobicContact SD-CE1 3.83Å; M254-F269 HydrophobicContact SD-CZ 4.37Å; M254-I270 HydrophobicContact CB-CD1 4.11Å; M254-I270 HydrophobicContact CG-CD1 4.26Å
255R86Confident89.5Confident68 Ų6878.8 Ų78.826%0.25738%0.378SS..Hα-helixtrans-54.6-33177.7-168.9-174.8-59.2-91.73112.7F236 E240 Y251 E252 T253 F257 A258F236-R255 VanDerWaalsContact CD1-NH1 3.34Å; E240-R255 IonicContact OE1-NH2 3.68Å; E240-R255 PolarHBondContact OE1-NH2 2.99Å; E240-R255 VanDerWaalsContact OE1-NH2 3.12Å; E240-R255 IonicContact OE2-NH2 2.63Å; E240-R255 PolarHBondContact OE2-NH2 3.05Å; Y251-R255 PolarHBondContact O-N 2.83Å; E252-R255 WeakPolarHBondContact O-CB 3.41Å; E252-R255 PolarHBondContact O-N 3.31Å; T253-R255 VanDerWaalsContact C-N 3.31Å; T253-R255 PolarHBondContact O-N 2.91Å; R255-F257 PolarHBondContact O-N 3.35Å; R255-A258 VanDerWaalsContact O-CB 3.25Å; R255-A258 WeakPolarHBondContact O-CB 3.35Å; R255-A258 PolarHBondContact O-N 3.27Å; R255-A258 VanDerWaalsContact O-N 3.13Å
256R87.4Confident89.4Confident178 Ų17871.9 Ų71.967%0.67235%0.348SS*.G310 helixtrans-61.8-26.6178.8-60.7178-175178.62.9112.6M254 R259M254-R256 PolarHBondContact O-N 3.24Å; M254-R256 VanDerWaalsContact O-N 3.12Å; R256-R259 PolarHBondContact O-NE 3.39Å
257F89.4Confident89.4Confident102 Ų10270.6 Ų70.645%0.44734%0.344SS..G310 helixtrans-89.3-3.4-179.1-60-84.8000113.8M254 R255 R259 I260 L261M254-F257 HydrophobicContact CE-CD2 4.36Å; M254-F257 WeakPolarHBondContact O-CB 3.45Å; M254-F257 PolarHBondContact O-N 2.95Å; M254-F257 HydrophobicContact SD-CD2 4.12Å; M254-F257 HydrophobicContact SD-CE2 4.41Å; R255-F257 PolarHBondContact O-N 3.35Å; F257-R259 PolarHBondContact O-N 3.44Å; F257-I260 PolarHBondContact O-N 2.95Å; F257-L261 PolarHBondContact O-N 3.02Å
258A84.4Confident89.4Confident10 Ų1076.8 Ų76.88%0.08337%0.371CS..G310 helixtrans-59-12.9170.600000113.2H228 R255 I260H228-A258 PolarHBondContact NE2-O 3.45Å; H228-A258 VanDerWaalsContact NE2-O 3.09Å; R255-A258 VanDerWaalsContact O-CB 3.25Å; R255-A258 WeakPolarHBondContact O-CB 3.35Å; R255-A258 PolarHBondContact O-N 3.27Å; R255-A258 VanDerWaalsContact O-N 3.13Å; A258-I260 VanDerWaalsContact C-N 3.26Å; A258-I260 PolarHBondContact O-N 3.42Å
259R87.5Confident89.4Confident162 Ų16278.4 Ų78.461%0.61138%0.377SS*.G310 helixtrans-76.2-12.5172.9-71.2-178-84.1-171.3-9.8114.2R220 I224 R256 F257R220-R259 PolarHBondContact NH2-O 2.95Å; R220-R259 VanDerWaalsContact NH2-O 3.14Å; I224-R259 HydrophobicContact CD1-CB 4.48Å; I224-R259 HydrophobicContact CD1-CG 4.31Å; R256-R259 PolarHBondContact O-NE 3.39Å; F257-R259 PolarHBondContact O-N 3.44Å
260I88.1Confident89.5Confident146 Ų14674.6 Ų74.675%0.74936%0.357SS*.THydrogen-bonded Turntrans-125.8-44.2-171-54.2173.6000110F257 A258F257-I260 PolarHBondContact O-N 2.95Å; A258-I260 VanDerWaalsContact C-N 3.26Å; A258-I260 PolarHBondContact O-N 3.42Å
261L87.3Confident89.6Confident59 Ų5977.2 Ų77.231%0.30937%0.368SS..SBendtrans-89.2138.5-178.4-164.569.3000110.4H228 F257 E265 H266H228-L261 PolarHBondContact CE1-O 2.92Å; H228-L261 VanDerWaalsContact CE1-O 3.31Å; H228-L261 PolarHBondContact NE2-O 3.29Å; F257-L261 PolarHBondContact O-N 3.02Å; L261-E265 HydrophobicContact CD1-CB 3.75Å; L261-E265 HydrophobicContact CD2-CB 4.3Å; L261-E265 HydrophobicContact CG-CB 3.84Å; L261-H266 VanDerWaalsContact CD2-CA 3.44Å; L261-H266 HydrophobicContact CD2-CB 3.76Å; L261-H266 HydrophobicContact CG-CB 4.3Å
262G89.8Confident89.8Confident26 Ų2680 Ų8027%0.26839%0.39SS..  trans-67.4160.8173.700000112.5V264 E265 H266G262-V264 PolarHBondContact O-N 3.28Å; G262-E265 VanDerWaalsContact C-OE2 3.28Å; G262-E265 WeakPolarHBondContact CA-OE2 3.36Å; G262-E265 PolarHBondContact O-N 3.44Å; G262-H266 VanDerWaalsContact O-CB 3.31Å; G262-H266 WeakPolarHBondContact O-CB 3.5Å; G262-H266 PolarHBondContact O-N 3.46Å
263P89.7Confident90.1Very high37 Ų3776.9 Ų76.924%0.2438%0.376CS..Hα-helixtrans-63.4-42.2-17524.9-34.4000112.3D227 H228 H266 D267D227-P263 HydrophobicContact CB-CG 4.31Å; D227-P263 VanDerWaalsContact O-CB 3.23Å; D227-P263 WeakPolarHBondContact O-CB 3.17Å; D227-P263 WeakPolarHBondContact O-CG 3.34Å; H228-P263 VanDerWaalsContact CE1-CA 3.49Å; H228-P263 WeakPolarHBondContact CE1-CA 3.12Å; P263-H266 PolarHBondContact O-N 2.87Å; P263-D267 PolarHBondContact O-N 2.86Å
264V91.4Very high90.3Very high79 Ų7973.4 Ų73.448%0.47936%0.355SS..Hα-helixtrans-67.3-41.7-178.8177.50000111.2G262 K268G262-V264 PolarHBondContact O-N 3.28Å; V264-K268 HydrophobicContact CG1-CD 4.17Å; V264-K268 WeakPolarHBondContact O-CB 3.11Å; V264-K268 VanDerWaalsContact O-CG 3.23Å; V264-K268 WeakPolarHBondContact O-CG 3.4Å; V264-K268 PolarHBondContact O-N 3.37Å
265E91.6Very high90.6Very high101 Ų10176.7 Ų76.747%0.47237%0.373SS..Hα-helixtrans-68.2-37.9177.6-62.575.9-162.600111.4L261 G262 F269L261-E265 HydrophobicContact CD1-CB 3.75Å; L261-E265 HydrophobicContact CD2-CB 4.3Å; L261-E265 HydrophobicContact CG-CB 3.84Å; G262-E265 VanDerWaalsContact C-OE2 3.28Å; G262-E265 WeakPolarHBondContact CA-OE2 3.36Å; G262-E265 PolarHBondContact O-N 3.44Å; E265-F269 WeakPolarHBondContact O-CB 3.44Å; E265-F269 PolarHBondContact O-N 2.77Å
266H90Very high91Very high3 Ų376.9 Ų76.91%0.01438%0.376CS..Hα-helixtrans-63.4-50.7175.7-173-86000111.5Y251 M254 L261 G262 P263 K268 F269 I270Y251-H266 AromaticContact CE1-CE1 3.68Å; Y251-H266 AromaticContact CZ-CE1 3.77Å; M254-H266 PolarHBondContact O-NE2 2.81Å; L261-H266 VanDerWaalsContact CD2-CA 3.44Å; L261-H266 HydrophobicContact CD2-CB 3.76Å; L261-H266 HydrophobicContact CG-CB 4.3Å; G262-H266 VanDerWaalsContact O-CB 3.31Å; G262-H266 WeakPolarHBondContact O-CB 3.5Å; G262-H266 PolarHBondContact O-N 3.46Å; P263-H266 PolarHBondContact O-N 2.87Å; H266-K268 VanDerWaalsContact C-N 3.35Å; H266-K268 PolarHBondContact O-N 3.48Å; H266-F269 WeakPolarHBondContact O-CB 3.48Å; H266-F269 PolarHBondContact O-N 3.44Å; H266-F269 VanDerWaalsContact O-N 3.12Å; H266-I270 WeakPolarHBondContact O-CG1 3.47Å; H266-I270 PolarHBondContact O-N 3.28Å
267D89.5Confident91.4Very high82 Ų8270.5 Ų70.544%0.43935%0.354SS..Hα-helixtrans-62.1-42.6179-72.7-21.5000111.6P263 F269 I270 E271P263-D267 PolarHBondContact O-N 2.86Å; D267-F269 VanDerWaalsContact C-N 3.3Å; D267-F269 PolarHBondContact O-N 2.85Å; D267-I270 PolarHBondContact O-N 3.41Å; D267-E271 WeakPolarHBondContact O-CB 3.39Å; D267-E271 WeakPolarHBondContact O-CG 3.39Å; D267-E271 PolarHBondContact O-N 2.8Å
268K93.2Very high91.7Very high131 Ų13170.2 Ų70.257%0.5735%0.354SS*.Hα-helixtrans-58.4-41.3174.3-78.6174.5-178.1175.20112.3V264 H266 S272V264-K268 HydrophobicContact CG1-CD 4.17Å; V264-K268 WeakPolarHBondContact O-CB 3.11Å; V264-K268 VanDerWaalsContact O-CG 3.23Å; V264-K268 WeakPolarHBondContact O-CG 3.4Å; V264-K268 PolarHBondContact O-N 3.37Å; H266-K268 VanDerWaalsContact C-N 3.35Å; H266-K268 PolarHBondContact O-N 3.48Å; K268-S272 VanDerWaalsContact O-CB 3.27Å; K268-S272 WeakPolarHBondContact O-CB 3.44Å; K268-S272 PolarHBondContact O-N 3.25Å; K268-S272 PolarHBondContact O-OG 2.79Å
269F92.4Very high92.3Very high89 Ų8974.4 Ų74.439%0.3937%0.374SS..Hα-helixtrans-63.6-46.6178.3175.2-93.9000111.3L250 M254 E265 H266 D267 S272 H273L250-F269 HydrophobicContact CD2-CE1 4.04Å; M254-F269 HydrophobicContact CE-CD1 3.81Å; M254-F269 HydrophobicContact CE-CE1 3.6Å; M254-F269 HydrophobicContact CE-CZ 4.17Å; M254-F269 HydrophobicContact CG-CD1 4.25Å; M254-F269 HydrophobicContact CG-CE1 3.73Å; M254-F269 HydrophobicContact SD-CE1 3.83Å; M254-F269 HydrophobicContact SD-CZ 4.37Å; E265-F269 WeakPolarHBondContact O-CB 3.44Å; E265-F269 PolarHBondContact O-N 2.77Å; H266-F269 WeakPolarHBondContact O-CB 3.48Å; H266-F269 PolarHBondContact O-N 3.44Å; H266-F269 VanDerWaalsContact O-N 3.12Å; D267-F269 VanDerWaalsContact C-N 3.3Å; D267-F269 PolarHBondContact O-N 2.85Å; F269-S272 PolarHBondContact O-N 2.84Å; F269-H273 PolarHBondContact O-N 2.98Å
270I91.9Very high92.7Very high1 Ų174.5 Ų74.51%0.00537%0.374CS..Hα-helixtrans-61.8-49.5177.8-63.6-58.4000111.1Y243 Y251 M254 H266 D267 S272 H273 A274Y243-I270 HydrophobicContact CE2-CG2 4.38Å; Y251-I270 HydrophobicContact CD2-CB 4.17Å; Y251-I270 HydrophobicContact CD2-CD1 3.97Å; Y251-I270 HydrophobicContact CD2-CG1 3.76Å; Y251-I270 HydrophobicContact CD2-CG2 3.41Å; Y251-I270 VanDerWaalsContact CD2-CG2 3.41Å; Y251-I270 HydrophobicContact CE2-CB 4.15Å; Y251-I270 HydrophobicContact CE2-CD1 4.42Å; Y251-I270 HydrophobicContact CE2-CG1 3.76Å; Y251-I270 HydrophobicContact CE2-CG2 3.68Å; Y251-I270 HydrophobicContact CG-CD1 4.16Å; Y251-I270 HydrophobicContact CG-CG1 4.38Å; Y251-I270 HydrophobicContact CG-CG2 4.5Å; M254-I270 HydrophobicContact CB-CD1 4.11Å; M254-I270 HydrophobicContact CG-CD1 4.26Å; H266-I270 WeakPolarHBondContact O-CG1 3.47Å; H266-I270 PolarHBondContact O-N 3.28Å; D267-I270 PolarHBondContact O-N 3.41Å; I270-S272 VanDerWaalsContact C-N 3.31Å; I270-S272 PolarHBondContact O-N 2.65Å; I270-H273 PolarHBondContact O-N 2.96Å; I270-A274 PolarHBondContact O-N 2.81Å
271E93.7Very high93Very high95 Ų9574.5 Ų74.544%0.44437%0.365SS..Hα-helixtrans-61.2-40.3179.2-73.3-63.4158.400111.9Y243 D267 H273 A274 L275Y243-E271 PolarHBondContact OH-OE1 2.94Å; D267-E271 WeakPolarHBondContact O-CB 3.39Å; D267-E271 WeakPolarHBondContact O-CG 3.39Å; D267-E271 PolarHBondContact O-N 2.8Å; E271-H273 VanDerWaalsContact C-N 3.31Å; E271-H273 PolarHBondContact O-N 3.2Å; E271-A274 PolarHBondContact O-N 3.08Å; E271-L275 WeakPolarHBondContact O-CB 3.44Å; E271-L275 PolarHBondContact O-N 3.32Å
272S94.9Very high93.4Very high76 Ų7674.4 Ų74.453%0.53136%0.363SS..Hα-helixtrans-62-41176.4-59.70000111.6K268 F269 I270 E276K268-S272 VanDerWaalsContact O-CB 3.27Å; K268-S272 WeakPolarHBondContact O-CB 3.44Å; K268-S272 PolarHBondContact O-N 3.25Å; K268-S272 PolarHBondContact O-OG 2.79Å; F269-S272 PolarHBondContact O-N 2.84Å; I270-S272 VanDerWaalsContact C-N 3.31Å; I270-S272 PolarHBondContact O-N 2.65Å; S272-E276 WeakPolarHBondContact O-CB 3.46Å; S272-E276 PolarHBondContact O-N 2.78Å
273H93.9Very high93.7Very high60 Ų6077.6 Ų77.628%0.27837%0.373SS..Hα-helixtrans-73.4-34.8177.8-164.871.2000112.8L250 F269 I270 E271 L275 E276 F277L250-H273 HydrophobicContact CD2-CB 3.77Å; L250-H273 WeakPolarHBondContact CD2-CD2 3.38Å; F269-H273 PolarHBondContact O-N 2.98Å; I270-H273 PolarHBondContact O-N 2.96Å; E271-H273 VanDerWaalsContact C-N 3.31Å; E271-H273 PolarHBondContact O-N 3.2Å; H273-L275 VanDerWaalsContact C-N 3.34Å; H273-E276 IonicContact CE1-OE2 2.55Å; H273-E276 IonicContact ND1-OE2 3.01Å; H273-E276 PolarHBondContact ND1-OE2 3.06Å; H273-E276 VanDerWaalsContact ND1-OE2 3.14Å; H273-E276 PolarHBondContact O-N 3.13Å; H273-F277 WeakPolarHBondContact O-CB 3.2Å; H273-F277 PolarHBondContact O-N 3.21Å
274A94.4Very high94.1Very high6 Ų681.9 Ų81.95%0.0539%0.388CS..Hα-helixtrans-59.7-47.1172.800000110.9Y243 V247 I270 E271 F277 E278Y243-A274 HydrophobicContact CD1-CB 3.91Å; Y243-A274 HydrophobicContact CE1-CB 4.09Å; V247-A274 HydrophobicContact CG1-CB 3.94Å; V247-A274 HydrophobicContact CG2-CB 4.43Å; I270-A274 PolarHBondContact O-N 2.81Å; E271-A274 PolarHBondContact O-N 3.08Å; A274-F277 WeakPolarHBondContact O-CB 3.48Å; A274-F277 PolarHBondContact O-N 3.38Å; A274-E278 WeakPolarHBondContact O-CG 3.45Å; A274-E278 PolarHBondContact O-N 2.94Å
275L95.6Very high94.2Very high99 Ų9983 Ų8352%0.51838%0.383SS..Hα-helixtrans-62-44.9175.1179.262.4000111.8E271 H273 F277 E278 L279E271-L275 WeakPolarHBondContact O-CB 3.44Å; E271-L275 PolarHBondContact O-N 3.32Å; H273-L275 VanDerWaalsContact C-N 3.34Å; L275-F277 VanDerWaalsContact C-N 3.31Å; L275-F277 PolarHBondContact O-N 3.03Å; L275-E278 PolarHBondContact O-N 2.67Å; L275-L279 HydrophobicContact CD1-CD1 4.28Å; L275-L279 HydrophobicContact CD1-CG 4.26Å; L275-L279 HydrophobicContact CG-CD1 4.04Å; L275-L279 HydrophobicContact CG-CG 4.45Å; L275-L279 WeakPolarHBondContact O-CB 3.39Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.33Å; L275-L279 PolarHBondContact O-N 3.1Å
276E95.8Very high94.3Very high72 Ų7281 Ų8134%0.33638%0.376SS..Hα-helixtrans-57.3-45.3175.8-174.3-168.4179.400111.6S272 H273 L279 R280S272-E276 WeakPolarHBondContact O-CB 3.46Å; S272-E276 PolarHBondContact O-N 2.78Å; H273-E276 IonicContact CE1-OE2 2.55Å; H273-E276 IonicContact ND1-OE2 3.01Å; H273-E276 PolarHBondContact ND1-OE2 3.06Å; H273-E276 VanDerWaalsContact ND1-OE2 3.14Å; H273-E276 PolarHBondContact O-N 3.13Å; E276-L279 PolarHBondContact O-N 3.49Å; E276-R280 WeakPolarHBondContact O-CB 3.13Å; E276-R280 WeakPolarHBondContact O-CG 3.35Å; E276-R280 PolarHBondContact O-N 3.45Å; E276-R280 IonicContact OE1-CZ 2.71Å; E276-R280 IonicContact OE1-NE 3.49Å; E276-R280 PolarHBondContact OE1-NE 3.15Å; E276-R280 IonicContact OE1-NH2 3.48Å; E276-R280 PolarHBondContact OE1-NH2 3.19Å
277F95.4Very high94.5Very high45 Ų4586.8 Ų86.820%0.19740%0.403CS..Hα-helixtrans-59.9-47177.5175.4-92.3000111.6P244 E246 V247 H273 A274 L275 L279 R280 R281P244-F277 HydrophobicContact CB-CD1 4.17Å; P244-F277 HydrophobicContact CB-CE1 3.57Å; P244-F277 HydrophobicContact CB-CZ 4.1Å; P244-F277 HydrophobicContact CG-CD1 3.88Å; P244-F277 HydrophobicContact CG-CE1 3.63Å; E246-F277 HydrophobicContact CB-CD2 4.21Å; E246-F277 HydrophobicContact CB-CE2 3.72Å; E246-F277 HydrophobicContact CB-CZ 4.26Å; E246-F277 HydrophobicContact CG-CE2 3.77Å; E246-F277 HydrophobicContact CG-CZ 4.19Å; E246-F277 WeakPolarHBondContact OE2-CZ 3.47Å; V247-F277 HydrophobicContact CG2-CB 4Å; V247-F277 HydrophobicContact CG2-CD1 4.22Å; V247-F277 HydrophobicContact CG2-CG 4.02Å; H273-F277 WeakPolarHBondContact O-CB 3.2Å; H273-F277 PolarHBondContact O-N 3.21Å; A274-F277 WeakPolarHBondContact O-CB 3.48Å; A274-F277 PolarHBondContact O-N 3.38Å; L275-F277 VanDerWaalsContact C-N 3.31Å; L275-F277 PolarHBondContact O-N 3.03Å; F277-L279 PolarHBondContact O-N 2.84Å; F277-R280 PolarHBondContact O-N 3.28Å; F277-R281 WeakPolarHBondContact O-CB 3.37Å; F277-R281 PolarHBondContact O-N 3.38Å
278E95.4Very high94.8Very high96 Ų9686 Ų8645%0.44940%0.396SS..Hα-helixtrans-61.4-44.2177.2-72.9-175.3174.100112.2A274 L275 R281 E282A274-E278 WeakPolarHBondContact O-CG 3.45Å; A274-E278 PolarHBondContact O-N 2.94Å; L275-E278 PolarHBondContact O-N 2.67Å; E278-R281 WeakPolarHBondContact O-CB 3.25Å; E278-R281 PolarHBondContact O-N 2.94Å; E278-E282 WeakPolarHBondContact O-CB 3.22Å; E278-E282 PolarHBondContact O-N 2.92Å
279L96.9Very high94.8Very high97 Ų9780.3 Ų80.351%0.50837%0.371SS..Hα-helixtrans-63.1-45.1177.2-71.5173.4000111.7L275 E276 F277 R281 E282 I283L275-L279 HydrophobicContact CD1-CD1 4.28Å; L275-L279 HydrophobicContact CD1-CG 4.26Å; L275-L279 HydrophobicContact CG-CD1 4.04Å; L275-L279 HydrophobicContact CG-CG 4.45Å; L275-L279 WeakPolarHBondContact O-CB 3.39Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.33Å; L275-L279 PolarHBondContact O-N 3.1Å; E276-L279 PolarHBondContact O-N 3.49Å; F277-L279 PolarHBondContact O-N 2.84Å; L279-R281 VanDerWaalsContact C-N 3.32Å; L279-R281 PolarHBondContact O-N 3.37Å; L279-E282 PolarHBondContact O-N 3.24Å; L279-I283 WeakPolarHBondContact O-CB 3.15Å; L279-I283 WeakPolarHBondContact O-CD1 3.27Å; L279-I283 VanDerWaalsContact O-CG1 3.22Å; L279-I283 WeakPolarHBondContact O-CG1 3.35Å; L279-I283 PolarHBondContact O-N 2.74Å
280R96.4Very high94.8Very high164 Ų16485.9 Ų85.962%0.61939%0.39SS*.Hα-helixtrans-61.3-41.4175.9-74.8178.7179-150.41.4111.5E276 F277 K284E276-R280 WeakPolarHBondContact O-CB 3.13Å; E276-R280 WeakPolarHBondContact O-CG 3.35Å; E276-R280 PolarHBondContact O-N 3.45Å; E276-R280 IonicContact OE1-CZ 2.71Å; E276-R280 IonicContact OE1-NE 3.49Å; E276-R280 PolarHBondContact OE1-NE 3.15Å; E276-R280 IonicContact OE1-NH2 3.48Å; E276-R280 PolarHBondContact OE1-NH2 3.19Å; F277-R280 PolarHBondContact O-N 3.28Å; R280-K284 WeakPolarHBondContact O-CB 3.25Å; R280-K284 PolarHBondContact O-N 3.48Å
281R94.8Very high95Very high147 Ų14790.2 Ų90.256%0.55543%0.426SS*.Hα-helixtrans-62.4-44.3175.7-171.1-177.572.9-177.1-1.3111.2F277 E278 L279 K284 R285F277-R281 WeakPolarHBondContact O-CB 3.37Å; F277-R281 PolarHBondContact O-N 3.38Å; E278-R281 WeakPolarHBondContact O-CB 3.25Å; E278-R281 PolarHBondContact O-N 2.94Å; L279-R281 VanDerWaalsContact C-N 3.32Å; L279-R281 PolarHBondContact O-N 3.37Å; R281-K284 PolarHBondContact O-N 3.02Å; R281-R285 WeakPolarHBondContact O-CB 3.04Å; R281-R285 PolarHBondContact O-N 2.92Å
282E95.1Very high94.9Very high57 Ų5788.1 Ų88.127%0.26643%0.425SS..Hα-helixtrans-66.7-44.6179.2-173.656.5-152.600112.1E278 L279 K284 R285 L286E278-E282 WeakPolarHBondContact O-CB 3.22Å; E278-E282 PolarHBondContact O-N 2.92Å; L279-E282 PolarHBondContact O-N 3.24Å; E282-K284 VanDerWaalsContact C-N 3.3Å; E282-K284 PolarHBondContact O-N 3.41Å; E282-R285 WeakPolarHBondContact O-CB 3.26Å; E282-R285 PolarHBondContact O-N 3.49Å; E282-R285 VanDerWaalsContact O-N 3.15Å; E282-R285 IonicContact OE1-CZ 3.35Å; E282-R285 IonicContact OE1-NE 3.23Å; E282-R285 PolarHBondContact OE1-NE 2.91Å; E282-R285 IonicContact OE1-NH2 2.7Å; E282-R285 PolarHBondContact OE1-NH2 3.16Å; E282-R285 IonicContact OE2-CZ 3.05Å; E282-R285 IonicContact OE2-NE 2.99Å; E282-R285 PolarHBondContact OE2-NE 3.25Å; E282-R285 IonicContact OE2-NH2 2.86Å; E282-R285 PolarHBondContact OE2-NH2 3.35Å; E282-L286 HydrophobicContact CG-CD1 4.25Å; E282-L286 WeakPolarHBondContact O-CG 3.46Å; E282-L286 PolarHBondContact O-N 2.88Å
283I96.6Very high94.9Very high92 Ų9287.3 Ų87.347%0.47243%0.428SS..Hα-helixtrans-57-47175.2-71.3164.6000110.3L279 R285 L286 Q287L279-I283 WeakPolarHBondContact O-CB 3.15Å; L279-I283 WeakPolarHBondContact O-CD1 3.27Å; L279-I283 VanDerWaalsContact O-CG1 3.22Å; L279-I283 WeakPolarHBondContact O-CG1 3.35Å; L279-I283 PolarHBondContact O-N 2.74Å; I283-R285 VanDerWaalsContact C-N 3.34Å; I283-R285 PolarHBondContact O-N 3.42Å; I283-L286 PolarHBondContact O-N 2.96Å; I283-Q287 HydrophobicContact CG2-CG 4.4Å; I283-Q287 WeakPolarHBondContact O-CB 3.41Å; I283-Q287 VanDerWaalsContact O-CG 3.26Å; I283-Q287 WeakPolarHBondContact O-CG 3.49Å; I283-Q287 PolarHBondContact O-N 3.01Å
284K96.2Very high94.9Very high128 Ų12885.6 Ų85.656%0.55742%0.421SS*.Hα-helixtrans-61.3-43.1177.5-172178.6177.9-1780111.6R280 R281 E282 L286 Q287 E288R280-K284 WeakPolarHBondContact O-CB 3.25Å; R280-K284 PolarHBondContact O-N 3.48Å; R281-K284 PolarHBondContact O-N 3.02Å; E282-K284 VanDerWaalsContact C-N 3.3Å; E282-K284 PolarHBondContact O-N 3.41Å; K284-L286 PolarHBondContact O-N 3.13Å; K284-Q287 PolarHBondContact O-N 3.3Å; K284-E288 WeakPolarHBondContact O-CG 3.45Å; K284-E288 PolarHBondContact O-N 2.95Å
285R93.4Very high94.7Very high101 Ų10192.4 Ų92.438%0.38146%0.462SS..Hα-helixtrans-59.1-46.5175.9-173.6177.675.3160.90.9111.9R281 E282 I283 Q287 E288 Y289R281-R285 WeakPolarHBondContact O-CB 3.04Å; R281-R285 PolarHBondContact O-N 2.92Å; E282-R285 WeakPolarHBondContact O-CB 3.26Å; E282-R285 PolarHBondContact O-N 3.49Å; E282-R285 VanDerWaalsContact O-N 3.15Å; E282-R285 IonicContact OE1-CZ 3.35Å; E282-R285 IonicContact OE1-NE 3.23Å; E282-R285 PolarHBondContact OE1-NE 2.91Å; E282-R285 IonicContact OE1-NH2 2.7Å; E282-R285 PolarHBondContact OE1-NH2 3.16Å; E282-R285 IonicContact OE2-CZ 3.05Å; E282-R285 IonicContact OE2-NE 2.99Å; E282-R285 PolarHBondContact OE2-NE 3.25Å; E282-R285 IonicContact OE2-NH2 2.86Å; E282-R285 PolarHBondContact OE2-NH2 3.35Å; I283-R285 VanDerWaalsContact C-N 3.34Å; I283-R285 PolarHBondContact O-N 3.42Å; R285-Q287 PolarHBondContact O-N 3.14Å; R285-E288 WeakPolarHBondContact O-CB 3.46Å; R285-E288 PolarHBondContact O-N 3.24Å; R285-Y289 WeakPolarHBondContact CD-OH 3.25Å; R285-Y289 HydrophobicContact CG-CE1 4.2Å; R285-Y289 HydrophobicContact CG-CE2 3.86Å; R285-Y289 PolarHBondContact O-N 2.96Å
286L94.2Very high94.4Very high61 Ų6192.2 Ų92.232%0.31946%0.462SS..Hα-helixtrans-66.2-37178-66.1174.1000112.4E282 I283 K284 Y289 R290 F297E282-L286 HydrophobicContact CG-CD1 4.25Å; E282-L286 WeakPolarHBondContact O-CG 3.46Å; E282-L286 PolarHBondContact O-N 2.88Å; I283-L286 PolarHBondContact O-N 2.96Å; K284-L286 PolarHBondContact O-N 3.13Å; L286-Y289 HydrophobicContact CD2-CD2 4.14Å; L286-Y289 HydrophobicContact CD2-CE2 4.45Å; L286-Y289 PolarHBondContact O-N 2.95Å; L286-R290 PolarHBondContact O-N 2.61Å; L286-R290 VanDerWaalsContact O-N 3.11Å; L286-F297 HydrophobicContact CD2-CE1 3.96Å; L286-F297 HydrophobicContact CD2-CZ 4.24Å
287Q95.4Very high94Very high123 Ų12395.3 Ų95.358%0.57547%0.474SS*.Hα-helixtrans-63.8-41173.3-73.7172.2-10.900111.7I283 K284 R285 R290 A291I283-Q287 HydrophobicContact CG2-CG 4.4Å; I283-Q287 WeakPolarHBondContact O-CB 3.41Å; I283-Q287 VanDerWaalsContact O-CG 3.26Å; I283-Q287 WeakPolarHBondContact O-CG 3.49Å; I283-Q287 PolarHBondContact O-N 3.01Å; K284-Q287 PolarHBondContact O-N 3.3Å; R285-Q287 PolarHBondContact O-N 3.14Å; Q287-R290 PolarHBondContact O-N 3.47Å; Q287-A291 WeakPolarHBondContact O-CB 3.34Å; Q287-A291 PolarHBondContact O-N 3.1Å
288E94.4Very high93.7Very high65 Ų6597.4 Ų97.430%0.30449%0.494SS..Hα-helixtrans-62.1-41.4174.7-73.9177.4-166.400112.1K284 R285 R290 A291 A292 K307K284-E288 WeakPolarHBondContact O-CG 3.45Å; K284-E288 PolarHBondContact O-N 2.95Å; R285-E288 WeakPolarHBondContact O-CB 3.46Å; R285-E288 PolarHBondContact O-N 3.24Å; E288-R290 PolarHBondContact O-N 2.95Å; E288-A291 PolarHBondContact O-N 3.32Å; E288-A292 WeakPolarHBondContact O-CB 3.49Å; E288-A292 PolarHBondContact O-N 2.91Å; E288-K307 IonicContact OE2-NZ 2.8Å; E288-K307 PolarHBondContact OE2-NZ 2.99Å
289Y94.2Very high93.4Very high12 Ų1296.2 Ų96.25%0.04750%0.495CS..Hα-helixtrans-59.4-46.3174.1-66.6-21.3000112R285 L286 A291 A292 G293 I294 A300 Y303 D304R285-Y289 WeakPolarHBondContact CD-OH 3.25Å; R285-Y289 HydrophobicContact CG-CE1 4.2Å; R285-Y289 HydrophobicContact CG-CE2 3.86Å; R285-Y289 PolarHBondContact O-N 2.96Å; L286-Y289 HydrophobicContact CD2-CD2 4.14Å; L286-Y289 HydrophobicContact CD2-CE2 4.45Å; L286-Y289 PolarHBondContact O-N 2.95Å; Y289-A291 VanDerWaalsContact C-N 3.35Å; Y289-A291 PolarHBondContact O-N 2.88Å; Y289-A292 CarbonylContact O-C 3.52Å; Y289-A292 PolarHBondContact O-N 2.97Å; Y289-G293 PolarHBondContact O-N 3.47Å; Y289-I294 HydrophobicContact CD1-CD1 4.04Å; Y289-I294 WeakPolarHBondContact O-CB 3.22Å; Y289-I294 PolarHBondContact O-N 3.12Å; Y289-A300 HydrophobicContact CD2-CB 4.03Å; Y289-A300 HydrophobicContact CE1-CB 4.21Å; Y289-A300 HydrophobicContact CE2-CB 3.7Å; Y289-A300 HydrophobicContact CG-CB 4.43Å; Y289-Y303 AromaticContact CD1-CD1 3.84Å; Y289-Y303 HydrophobicContact CD1-CD1 3.84Å; Y289-Y303 AromaticContact CD1-CE1 3.95Å; Y289-Y303 HydrophobicContact CD1-CE1 3.95Å; Y289-Y303 AromaticContact CE1-CD1 3.65Å; Y289-Y303 HydrophobicContact CE1-CD1 3.65Å; Y289-Y303 AromaticContact CE1-CE1 3.94Å; Y289-Y303 HydrophobicContact CE1-CE1 3.94Å; Y289-D304 VanDerWaalsContact CE1-OD1 3.23Å; Y289-D304 WeakPolarHBondContact CE1-OD1 3.26Å; Y289-D304 PolarHBondContact OH-OD1 3.39Å; Y289-D304 PolarHBondContact OH-OD2 3.01Å
290R92.9Very high93.2Very high206 Ų20691.8 Ų91.878%0.77747%0.472SS*.Hα-helixtrans-62-42.5176.8-72.5-174.6176.7179.20.7112.1L286 Q287 E288 A292 G293L286-R290 PolarHBondContact O-N 2.61Å; L286-R290 VanDerWaalsContact O-N 3.11Å; Q287-R290 PolarHBondContact O-N 3.47Å; E288-R290 PolarHBondContact O-N 2.95Å; R290-A292 VanDerWaalsContact C-N 3.26Å; R290-A292 PolarHBondContact O-N 3.17Å; R290-G293 PolarHBondContact O-N 3.47Å
291A94.5Very high92.8Very high93 Ų9393.5 Ų93.577%0.76948%0.479SS*.Hα-helixtrans-64.1-32176.700000112.5Q287 E288 Y289 G293Q287-A291 WeakPolarHBondContact O-CB 3.34Å; Q287-A291 PolarHBondContact O-N 3.1Å; E288-A291 PolarHBondContact O-N 3.32Å; Y289-A291 VanDerWaalsContact C-N 3.35Å; Y289-A291 PolarHBondContact O-N 2.88Å; A291-G293 PolarHBondContact O-N 2.83Å
292A92.7Very high92.6Very high51 Ų5190.6 Ų90.642%0.42148%0.477SS..THydrogen-bonded Turntrans-80.81.3173.400000113.8E288 Y289 R290 I294 Y303E288-A292 WeakPolarHBondContact O-CB 3.49Å; E288-A292 PolarHBondContact O-N 2.91Å; Y289-A292 CarbonylContact O-C 3.52Å; Y289-A292 PolarHBondContact O-N 2.97Å; R290-A292 VanDerWaalsContact C-N 3.26Å; R290-A292 PolarHBondContact O-N 3.17Å; A292-I294 HydrophobicContact CB-CD1 4.12Å; A292-I294 HydrophobicContact CB-CG1 4.32Å; A292-Y303 HydrophobicContact CB-CD2 4.47Å; A292-Y303 HydrophobicContact CB-CE2 3.79Å
293G93.7Very high92.5Very high58 Ų5890.5 Ų90.560%0.59848%0.475SS*.THydrogen-bonded Turntrans78.414.3-179.400000114.9Y289 R290 A291Y289-G293 PolarHBondContact O-N 3.47Å; R290-G293 PolarHBondContact O-N 3.47Å; A291-G293 PolarHBondContact O-N 2.83Å
294I93.9Very high92.3Very high25 Ų2589 Ų8913%0.12847%0.468CS..  trans-85.2121.9-179.5-59.7165.6000109.7Y289 A292 N296 C299 A300 Y303Y289-I294 HydrophobicContact CD1-CD1 4.04Å; Y289-I294 WeakPolarHBondContact O-CB 3.22Å; Y289-I294 PolarHBondContact O-N 3.12Å; A292-I294 HydrophobicContact CB-CD1 4.12Å; A292-I294 HydrophobicContact CB-CG1 4.32Å; I294-N296 WeakPolarHBondContact CG2-O 3.32Å; I294-C299 HydrophobicContact CG2-CB 4.03Å; I294-A300 HydrophobicContact CG2-CB 4.22Å; I294-Y303 HydrophobicContact CD1-CD1 3.77Å; I294-Y303 HydrophobicContact CD1-CD2 3.54Å; I294-Y303 HydrophobicContact CD1-CE1 4.41Å; I294-Y303 HydrophobicContact CD1-CE2 4.19Å; I294-Y303 HydrophobicContact CD1-CG 3.28Å
295T90.5Very high92.1Very high148 Ų14888.8 Ų88.891%0.90847%0.469SS*.  trans-112.2-10.8-17855.90000113.9
296N89.9Confident92Very high95 Ų9589.1 Ų89.151%0.50848%0.477SS..SBendtrans-131.8140.6-178.7-1710.1000111.7I294 C298 C299 A300I294-N296 WeakPolarHBondContact CG2-O 3.32Å; N296-C298 VanDerWaalsContact C-N 3.28Å; N296-C298 PolarHBondContact O-N 3.23Å; N296-C299 WeakPolarHBondContact O-CB 3.2Å; N296-C299 PolarHBondContact O-N 3.19Å; N296-C299 VanDerWaalsContact O-N 3.16Å; N296-A300 PolarHBondContact O-N 3.25Å
297F88.4Confident92Very high138 Ų13888.7 Ų88.761%0.60547%0.473SS*.Hα-helixtrans-63.1-28-179.2-73.9-71.9000114.2L286 C299 A300 R301L286-F297 HydrophobicContact CD2-CE1 3.96Å; L286-F297 HydrophobicContact CD2-CZ 4.24Å; F297-C299 VanDerWaalsContact C-N 3.28Å; F297-C299 PolarHBondContact O-N 3.19Å; F297-A300 WeakPolarHBondContact O-CB 3.45Å; F297-A300 PolarHBondContact O-N 3.41Å; F297-R301 PolarHBondContact O-N 3.4Å
298C87.9Confident91.8Very high89 Ų8989 Ų8960%0.60147%0.472SS*.Hα-helixtrans-59.4-43.3174.8-1710000111N296N296-C298 VanDerWaalsContact C-N 3.28Å; N296-C298 PolarHBondContact O-N 3.23Å
299C89.3Confident91.7Very high70 Ų7088.6 Ų88.647%0.47347%0.474SS..Hα-helixtrans-71.1-30.9176.8-57.20000112.3I294 N296 F297 R301 T302 Y303I294-C299 HydrophobicContact CG2-CB 4.03Å; N296-C299 WeakPolarHBondContact O-CB 3.2Å; N296-C299 PolarHBondContact O-N 3.19Å; N296-C299 VanDerWaalsContact O-N 3.16Å; F297-C299 VanDerWaalsContact C-N 3.28Å; F297-C299 PolarHBondContact O-N 3.19Å; C299-R301 VanDerWaalsContact C-N 3.32Å; C299-R301 PolarHBondContact O-N 3.33Å; C299-T302 PolarHBondContact O-N 2.89Å; C299-Y303 PolarHBondContact O-N 2.58Å
300A92Very high91.5Very high4 Ų494.1 Ų94.13%0.03350%0.495CS..Hα-helixtrans-60.3-39.4177.500000112.3Y289 I294 N296 F297 T302 Y303 D304Y289-A300 HydrophobicContact CD2-CB 4.03Å; Y289-A300 HydrophobicContact CE1-CB 4.21Å; Y289-A300 HydrophobicContact CE2-CB 3.7Å; Y289-A300 HydrophobicContact CG-CB 4.43Å; I294-A300 HydrophobicContact CG2-CB 4.22Å; N296-A300 PolarHBondContact O-N 3.25Å; F297-A300 WeakPolarHBondContact O-CB 3.45Å; F297-A300 PolarHBondContact O-N 3.41Å; A300-T302 PolarHBondContact O-N 3.18Å; A300-Y303 WeakPolarHBondContact O-CB 3.38Å; A300-Y303 PolarHBondContact O-N 2.92Å; A300-D304 PolarHBondContact O-N 3.19Å
301R88.9Confident91.4Very high200 Ų20087.7 Ų87.776%0.75548%0.476SS*.Hα-helixtrans-59.5-46.4176.2-74.5-177.760.2-163.8-4112.6F297 C299 Y303 D304 H305F297-R301 PolarHBondContact O-N 3.4Å; C299-R301 VanDerWaalsContact C-N 3.32Å; C299-R301 PolarHBondContact O-N 3.33Å; R301-Y303 VanDerWaalsContact C-N 3.35Å; R301-D304 PolarHBondContact O-N 3.02Å; R301-H305 PolarHBondContact O-N 2.97Å; R301-H305 VanDerWaalsContact O-N 3.11Å
302T90.5Very high91.1Very high86 Ų8687.4 Ų87.453%0.52846%0.459SS..Hα-helixtrans-66.4-40.5178-52.40000110.8C299 A300 H305 L306C299-T302 PolarHBondContact O-N 2.89Å; A300-T302 PolarHBondContact O-N 3.18Å; T302-H305 PolarHBondContact O-N 3.3Å; T302-L306 HydrophobicContact CG2-CD1 4.03Å; T302-L306 HydrophobicContact CG2-CG 4.44Å; T302-L306 WeakPolarHBondContact O-CB 3.3Å; T302-L306 VanDerWaalsContact O-CG 3.31Å; T302-L306 WeakPolarHBondContact O-CG 3.38Å; T302-L306 PolarHBondContact O-N 2.73Å
303Y93.3Very high90.8Very high56 Ų5688.6 Ų88.622%0.2246%0.456CS..Hα-helixtrans-61.1-46.8175172.8-94.3000112.4Y289 A292 I294 C299 A300 R301 H305 L306 K307Y289-Y303 AromaticContact CD1-CD1 3.84Å; Y289-Y303 HydrophobicContact CD1-CD1 3.84Å; Y289-Y303 AromaticContact CD1-CE1 3.95Å; Y289-Y303 HydrophobicContact CD1-CE1 3.95Å; Y289-Y303 AromaticContact CE1-CD1 3.65Å; Y289-Y303 HydrophobicContact CE1-CD1 3.65Å; Y289-Y303 AromaticContact CE1-CE1 3.94Å; Y289-Y303 HydrophobicContact CE1-CE1 3.94Å; A292-Y303 HydrophobicContact CB-CD2 4.47Å; A292-Y303 HydrophobicContact CB-CE2 3.79Å; I294-Y303 HydrophobicContact CD1-CD1 3.77Å; I294-Y303 HydrophobicContact CD1-CD2 3.54Å; I294-Y303 HydrophobicContact CD1-CE1 4.41Å; I294-Y303 HydrophobicContact CD1-CE2 4.19Å; I294-Y303 HydrophobicContact CD1-CG 3.28Å; C299-Y303 PolarHBondContact O-N 2.58Å; A300-Y303 WeakPolarHBondContact O-CB 3.38Å; A300-Y303 PolarHBondContact O-N 2.92Å; R301-Y303 VanDerWaalsContact C-N 3.35Å; Y303-H305 VanDerWaalsContact C-N 3.3Å; Y303-H305 PolarHBondContact O-N 2.94Å; Y303-L306 PolarHBondContact O-N 3.41Å; Y303-K307 HydrophobicContact CE1-CB 4.39Å; Y303-K307 HydrophobicContact CE1-CD 3.74Å; Y303-K307 WeakPolarHBondContact O-CB 3.41Å; Y303-K307 PolarHBondContact O-N 3.11Å
304D92.4Very high90.4Very high59 Ų5993.8 Ų93.832%0.31646%0.457SS..Hα-helixtrans-59.7-43.2177.9-74-17.8000111.3Y289 A300 R301 K307 K308Y289-D304 VanDerWaalsContact CE1-OD1 3.23Å; Y289-D304 WeakPolarHBondContact CE1-OD1 3.26Å; Y289-D304 PolarHBondContact OH-OD1 3.39Å; Y289-D304 PolarHBondContact OH-OD2 3.01Å; A300-D304 PolarHBondContact O-N 3.19Å; R301-D304 PolarHBondContact O-N 3.02Å; D304-K307 PolarHBondContact O-N 3.22Å; D304-K308 VanDerWaalsContact O-CB 3.28Å; D304-K308 WeakPolarHBondContact O-CB 3.4Å; D304-K308 PolarHBondContact O-N 3.21Å
305H91.6Very high89.9Confident124 Ų12498 Ų9857%0.57448%0.479SS*.Hα-helixtrans-61.3-51.4177.2-174.864.5000111.4R301 T302 Y303 K307 K308 T309R301-H305 PolarHBondContact O-N 2.97Å; R301-H305 VanDerWaalsContact O-N 3.11Å; T302-H305 PolarHBondContact O-N 3.3Å; Y303-H305 VanDerWaalsContact C-N 3.3Å; Y303-H305 PolarHBondContact O-N 2.94Å; H305-K307 VanDerWaalsContact C-N 3.35Å; H305-K307 PolarHBondContact O-N 2.89Å; H305-K308 PolarHBondContact O-N 3.41Å; H305-T309 PolarHBondContact O-N 2.94Å; H305-T309 PolarHBondContact O-OG1 3.2Å; H305-T309 VanDerWaalsContact O-OG1 3.08Å
306L92.6Very high89.5Confident108 Ų10896.6 Ų96.657%0.56546%0.461SS*.Hα-helixtrans-65.1-37.5179.2-68.5173.6000112.5T302 Y303 T309 R310T302-L306 HydrophobicContact CG2-CD1 4.03Å; T302-L306 HydrophobicContact CG2-CG 4.44Å; T302-L306 WeakPolarHBondContact O-CB 3.3Å; T302-L306 VanDerWaalsContact O-CG 3.31Å; T302-L306 WeakPolarHBondContact O-CG 3.38Å; T302-L306 PolarHBondContact O-N 2.73Å; Y303-L306 PolarHBondContact O-N 3.41Å; L306-T309 PolarHBondContact O-N 3.16Å; L306-R310 VanDerWaalsContact O-CB 3.29Å; L306-R310 WeakPolarHBondContact O-CB 3.48Å; L306-R310 PolarHBondContact O-N 2.91Å
307K92.6Very high88.9Confident52 Ų52100.7 Ų100.723%0.22647%0.469CS..Hα-helixtrans-63.3-47.6175.6-179.5177.2179.6-170.70110.1E288 Y303 D304 H305 T309 R310 D311E288-K307 IonicContact OE2-NZ 2.8Å; E288-K307 PolarHBondContact OE2-NZ 2.99Å; Y303-K307 HydrophobicContact CE1-CB 4.39Å; Y303-K307 HydrophobicContact CE1-CD 3.74Å; Y303-K307 WeakPolarHBondContact O-CB 3.41Å; Y303-K307 PolarHBondContact O-N 3.11Å; D304-K307 PolarHBondContact O-N 3.22Å; H305-K307 VanDerWaalsContact C-N 3.35Å; H305-K307 PolarHBondContact O-N 2.89Å; K307-T309 PolarHBondContact O-N 3.46Å; K307-R310 PolarHBondContact O-N 2.96Å; K307-D311 WeakPolarHBondContact O-CB 3.43Å; K307-D311 PolarHBondContact O-N 3Å
308K91.8Very high88.3Confident130 Ų13097.6 Ų97.657%0.56546%0.462SS*.Hα-helixtrans-58-49.5176.1-174.8178.2176.6-177.70111.4D304 H305 R310 D311 E312D304-K308 VanDerWaalsContact O-CB 3.28Å; D304-K308 WeakPolarHBondContact O-CB 3.4Å; D304-K308 PolarHBondContact O-N 3.21Å; H305-K308 PolarHBondContact O-N 3.41Å; K308-R310 VanDerWaalsContact C-N 3.32Å; K308-R310 PolarHBondContact O-N 2.9Å; K308-D311 PolarHBondContact O-N 3.32Å; K308-E312 WeakPolarHBondContact CE-OE1 3.48Å; K308-E312 WeakPolarHBondContact O-CB 3.36Å; K308-E312 WeakPolarHBondContact O-CG 3.32Å; K308-E312 PolarHBondContact O-N 3.22Å
309T91.8Very high87.7Confident56 Ų5695.8 Ų95.834%0.34445%0.445SS..Hα-helixtrans-59.1-43.3176.2-55.30000111.8H305 L306 K307 D311 E312 E313H305-T309 PolarHBondContact O-N 2.94Å; H305-T309 PolarHBondContact O-OG1 3.2Å; H305-T309 VanDerWaalsContact O-OG1 3.08Å; L306-T309 PolarHBondContact O-N 3.16Å; K307-T309 PolarHBondContact O-N 3.46Å; T309-D311 VanDerWaalsContact C-N 3.35Å; T309-D311 PolarHBondContact O-N 3.31Å; T309-E312 PolarHBondContact O-N 3.43Å; T309-E313 WeakPolarHBondContact O-CB 3.26Å; T309-E313 VanDerWaalsContact O-CG 3.3Å; T309-E313 WeakPolarHBondContact O-CG 3.26Å; T309-E313 PolarHBondContact O-N 3.23Å
310R91.4Very high87.1Confident129 Ų12998 Ų9849%0.48745%0.452SS..Hα-helixtrans-64-39.5177.6-179-178.262-178.2-6.2112.3L306 K307 K308 R314L306-R310 VanDerWaalsContact O-CB 3.29Å; L306-R310 WeakPolarHBondContact O-CB 3.48Å; L306-R310 PolarHBondContact O-N 2.91Å; K307-R310 PolarHBondContact O-N 2.96Å; K308-R310 VanDerWaalsContact C-N 3.32Å; K308-R310 PolarHBondContact O-N 2.9Å; R310-R314 WeakPolarHBondContact O-CB 3.22Å; R310-R314 WeakPolarHBondContact O-CG 3.34Å; R310-R314 PolarHBondContact O-N 3.27Å
311D89.1Confident86.4Confident70 Ų70101.4 Ų101.437%0.37448%0.475SS..Hα-helixtrans-71.4-39.8179.8-66.7-16.4000110.7K307 K308 T309 R314 L315K307-D311 WeakPolarHBondContact O-CB 3.43Å; K307-D311 PolarHBondContact O-N 3Å; K308-D311 PolarHBondContact O-N 3.32Å; T309-D311 VanDerWaalsContact C-N 3.35Å; T309-D311 PolarHBondContact O-N 3.31Å; D311-R314 WeakPolarHBondContact O-CB 3.22Å; D311-R314 PolarHBondContact O-N 3.18Å; D311-L315 PolarHBondContact O-N 3.14Å
312E88.3Confident85.8Confident87 Ų8796.1 Ų96.141%0.40746%0.459SS..Hα-helixtrans-60.4-46.4171.2-73.8170.818000111.7K308 T309 R314 L315 K316K308-E312 WeakPolarHBondContact CE-OE1 3.48Å; K308-E312 WeakPolarHBondContact O-CB 3.36Å; K308-E312 WeakPolarHBondContact O-CG 3.32Å; K308-E312 PolarHBondContact O-N 3.22Å; T309-E312 PolarHBondContact O-N 3.43Å; E312-R314 VanDerWaalsContact C-N 3.34Å; E312-R314 PolarHBondContact O-N 3.46Å; E312-L315 WeakPolarHBondContact O-CB 3.46Å; E312-L315 PolarHBondContact O-N 3.45Å; E312-K316 WeakPolarHBondContact O-CG 3.5Å; E312-K316 PolarHBondContact O-N 3.48Å
313E87.2Confident85.2Confident77 Ų7793.2 Ų93.236%0.3644%0.441SS..Hα-helixtrans-65.1-36.9176.2-73.8-60.9125.500112.2T309 L315 K316 R317T309-E313 WeakPolarHBondContact O-CB 3.26Å; T309-E313 VanDerWaalsContact O-CG 3.3Å; T309-E313 WeakPolarHBondContact O-CG 3.26Å; T309-E313 PolarHBondContact O-N 3.23Å; E313-L315 VanDerWaalsContact C-N 3.35Å; E313-K316 PolarHBondContact O-N 3.48Å; E313-K316 IonicContact OE1-NZ 2.84Å; E313-K316 PolarHBondContact OE1-NZ 3.09Å; E313-R317 VanDerWaalsContact O-CG 3.26Å; E313-R317 WeakPolarHBondContact O-CG 3.41Å; E313-R317 PolarHBondContact O-N 2.91Å
314R85.9Confident84.5Confident166 Ų16695.2 Ų95.263%0.62646%0.455SS*.Hα-helixtrans-62.1-43.4171.7-85.8-177.7166.9-148.7-3111.4R310 D311 E312 R317 T318R310-R314 WeakPolarHBondContact O-CB 3.22Å; R310-R314 WeakPolarHBondContact O-CG 3.34Å; R310-R314 PolarHBondContact O-N 3.27Å; D311-R314 WeakPolarHBondContact O-CB 3.22Å; D311-R314 PolarHBondContact O-N 3.18Å; E312-R314 VanDerWaalsContact C-N 3.34Å; E312-R314 PolarHBondContact O-N 3.46Å; R314-R317 PolarHBondContact O-N 2.87Å; R314-T318 PolarHBondContact O-N 2.92Å; R314-T318 PolarHBondContact O-OG1 2.78Å
315L83.4Confident83.8Confident113 Ų11399.6 Ų99.659%0.59247%0.474SS*.Hα-helixtrans-61-46.8177.7-150.784.4000110.8D311 E312 E313 R317 T318 M319D311-L315 PolarHBondContact O-N 3.14Å; E312-L315 WeakPolarHBondContact O-CB 3.46Å; E312-L315 PolarHBondContact O-N 3.45Å; E313-L315 VanDerWaalsContact C-N 3.35Å; L315-R317 VanDerWaalsContact C-N 3.3Å; L315-R317 PolarHBondContact O-N 3.37Å; L315-T318 VanDerWaalsContact CA-OG1 3.32Å; L315-T318 WeakPolarHBondContact CA-OG1 3.48Å; L315-T318 PolarHBondContact O-N 3.22Å; L315-T318 VanDerWaalsContact O-N 3.1Å; L315-T318 PolarHBondContact O-OG1 2.94Å; L315-M319 WeakPolarHBondContact O-CG 3.47Å; L315-M319 PolarHBondContact O-N 3.49Å
316K80.4Confident83.1Confident120 Ų12098.4 Ų98.452%0.52247%0.465SS..Hα-helixtrans-59.4-38.8175.2-68.4174.4-165.91690112.6E312 E313 M319 L320E312-K316 WeakPolarHBondContact O-CG 3.5Å; E312-K316 PolarHBondContact O-N 3.48Å; E313-K316 PolarHBondContact O-N 3.48Å; E313-K316 IonicContact OE1-NZ 2.84Å; E313-K316 PolarHBondContact OE1-NZ 3.09Å; K316-M319 WeakPolarHBondContact O-CB 3.29Å; K316-M319 PolarHBondContact O-N 3.43Å; K316-L320 PolarHBondContact O-N 3.21Å
317R77.9Confident82.3Confident180 Ų18098.1 Ų98.168%0.67946%0.463SS*.Hα-helixtrans-67.8-35.4175.1-70.9171.4-171.4-161.71.7112.6E313 R314 L315 L320 S321E313-R317 VanDerWaalsContact O-CG 3.26Å; E313-R317 WeakPolarHBondContact O-CG 3.41Å; E313-R317 PolarHBondContact O-N 2.91Å; R314-R317 PolarHBondContact O-N 2.87Å; L315-R317 VanDerWaalsContact C-N 3.3Å; L315-R317 PolarHBondContact O-N 3.37Å; R317-L320 PolarHBondContact O-N 2.9Å; R317-S321 PolarHBondContact O-N 3.12Å
318T76.3Confident81.6Confident73 Ų73104.9 Ų104.945%0.44850%0.495SS..Hα-helixtrans-69-43.9175.56.10000110.5R314 L315 L320 S321 E322R314-T318 PolarHBondContact O-N 2.92Å; R314-T318 PolarHBondContact O-OG1 2.78Å; L315-T318 VanDerWaalsContact CA-OG1 3.32Å; L315-T318 WeakPolarHBondContact CA-OG1 3.48Å; L315-T318 PolarHBondContact O-N 3.22Å; L315-T318 VanDerWaalsContact O-N 3.1Å; L315-T318 PolarHBondContact O-OG1 2.94Å; T318-L320 VanDerWaalsContact C-N 3.3Å; T318-L320 PolarHBondContact O-N 2.94Å; T318-S321 WeakPolarHBondContact O-CA 3.18Å; T318-S321 WeakPolarHBondContact O-CB 3.21Å; T318-S321 PolarHBondContact O-N 3.05Å; T318-E322 WeakPolarHBondContact O-CG 3.4Å; T318-E322 PolarHBondContact O-N 3.19Å
319M75.9Confident81Confident51 Ų51103 Ų10325%0.25149%0.491SS..Hα-helixtrans-53.8-45.8171.1-71.7-68-16500112L315 K316 S321 E322 V323 W336 Q340L315-M319 WeakPolarHBondContact O-CG 3.47Å; L315-M319 PolarHBondContact O-N 3.49Å; K316-M319 WeakPolarHBondContact O-CB 3.29Å; K316-M319 PolarHBondContact O-N 3.43Å; M319-S321 VanDerWaalsContact C-N 3.34Å; M319-S321 PolarHBondContact O-N 3.26Å; M319-E322 PolarHBondContact O-N 3.15Å; M319-V323 WeakPolarHBondContact O-CG2 3.33Å; M319-V323 PolarHBondContact O-N 2.95Å; M319-W336 HydrophobicContact CB-CH2 4.03Å; M319-W336 HydrophobicContact CB-CZ2 4.43Å; M319-W336 HydrophobicContact SD-CH2 3.8Å; M319-W336 HydrophobicContact SD-CZ2 3.61Å; M319-Q340 VanDerWaalsContact CE-OE1 3.27Å
320L75.2Confident80.5Confident118 Ų118104.6 Ų104.662%0.61851%0.505SS*.Hα-helixtrans-60.1-43.3175.7-160.895.9000111.7K316 R317 T318 E322 V323 L324K316-L320 PolarHBondContact O-N 3.21Å; R317-L320 PolarHBondContact O-N 2.9Å; T318-L320 VanDerWaalsContact C-N 3.3Å; T318-L320 PolarHBondContact O-N 2.94Å; L320-E322 VanDerWaalsContact C-N 3.33Å; L320-E322 PolarHBondContact O-N 3.18Å; L320-V323 PolarHBondContact O-N 3.08Å; L320-L324 VanDerWaalsContact O-CG 3.27Å; L320-L324 WeakPolarHBondContact O-CG 3.37Å; L320-L324 PolarHBondContact O-N 3.36Å
321S77.8Confident80Confident75 Ų75101.5 Ų101.552%0.52450%0.503SS..Hα-helixtrans-63.3-37.2176.2-172.10000112.7R317 T318 M319 L324 Q325R317-S321 PolarHBondContact O-N 3.12Å; T318-S321 WeakPolarHBondContact O-CA 3.18Å; T318-S321 WeakPolarHBondContact O-CB 3.21Å; T318-S321 PolarHBondContact O-N 3.05Å; M319-S321 VanDerWaalsContact C-N 3.34Å; M319-S321 PolarHBondContact O-N 3.26Å; S321-L324 PolarHBondContact O-N 3.06Å; S321-Q325 PolarHBondContact O-N 2.73Å
322E76.6Confident79.5Confident88 Ų8899.4 Ų99.441%0.41150%0.495SS..Hα-helixtrans-67.5-41.4175.7-71.2179.6-171.400111.1T318 M319 L320 L324 Q325 Y326 W336T318-E322 WeakPolarHBondContact O-CG 3.4Å; T318-E322 PolarHBondContact O-N 3.19Å; M319-E322 PolarHBondContact O-N 3.15Å; L320-E322 VanDerWaalsContact C-N 3.33Å; L320-E322 PolarHBondContact O-N 3.18Å; E322-L324 VanDerWaalsContact C-N 3.32Å; E322-L324 PolarHBondContact O-N 3.2Å; E322-Q325 VanDerWaalsContact O-CB 3.29Å; E322-Q325 WeakPolarHBondContact O-CB 3.26Å; E322-Q325 PolarHBondContact O-N 2.91Å; E322-Q325 VanDerWaalsContact O-N 3.12Å; E322-Y326 WeakPolarHBondContact O-CD2 3.18Å; E322-W336 HydrophobicContact CB-CZ2 4.17Å
323V77.8Confident79.2Confident25 Ų2596.1 Ų96.115%0.15248%0.482CS..Hα-helixtrans-59.6-44.2174.2-175.90000111.2M319 L320 Q325 Y326 I327 W336 L337M319-V323 WeakPolarHBondContact O-CG2 3.33Å; M319-V323 PolarHBondContact O-N 2.95Å; L320-V323 PolarHBondContact O-N 3.08Å; V323-Q325 PolarHBondContact O-N 3.3Å; V323-Y326 PolarHBondContact O-N 3.18Å; V323-I327 PolarHBondContact O-N 3.2Å; V323-W336 HydrophobicContact CB-CE3 4.47Å; V323-W336 HydrophobicContact CB-CZ3 4.4Å; V323-W336 HydrophobicContact CG2-CD2 4.12Å; V323-W336 HydrophobicContact CG2-CE3 3.42Å; V323-W336 VanDerWaalsContact CG2-CE3 3.42Å; V323-W336 HydrophobicContact CG2-CH2 3.32Å; V323-W336 HydrophobicContact CG2-CZ2 3.95Å; V323-W336 HydrophobicContact CG2-CZ3 3.02Å; V323-L337 HydrophobicContact CG1-CD2 4.42Å; V323-L337 HydrophobicContact CG2-CD2 4.46Å
324L78.1Confident79Confident98 Ų9899.1 Ų99.151%0.51350%0.496SS..Hα-helixtrans-59.8-27.8179.3-70.9174.6000112.1L320 S321 E322 Y326 I327L320-L324 VanDerWaalsContact O-CG 3.27Å; L320-L324 WeakPolarHBondContact O-CG 3.37Å; L320-L324 PolarHBondContact O-N 3.36Å; S321-L324 PolarHBondContact O-N 3.06Å; E322-L324 VanDerWaalsContact C-N 3.32Å; E322-L324 PolarHBondContact O-N 3.2Å; L324-Y326 VanDerWaalsContact C-N 3.31Å; L324-Y326 PolarHBondContact O-N 3.37Å; L324-I327 HydrophobicContact CD2-CD1 3.67Å; L324-I327 WeakPolarHBondContact O-CB 3.45Å; L324-I327 WeakPolarHBondContact O-CG2 3.2Å; L324-I327 PolarHBondContact O-N 3.26Å
325Q77.3Confident78.8Confident151 Ų15197.6 Ų97.671%0.70650%0.496SS*.Hα-helixtrans-70-27.2176.6-164.2169.913.800113S321 E322 V323S321-Q325 PolarHBondContact O-N 2.73Å; E322-Q325 VanDerWaalsContact O-CB 3.29Å; E322-Q325 WeakPolarHBondContact O-CB 3.26Å; E322-Q325 PolarHBondContact O-N 2.91Å; E322-Q325 VanDerWaalsContact O-N 3.12Å; V323-Q325 PolarHBondContact O-N 3.3Å
326Y77.6Confident78.8Confident99 Ų9994.3 Ų94.339%0.38848%0.476SS..Hα-helixtrans-97.70.9178.4-58.7-69.7000113.3E322 V323 L324 Q328 D329 A332 W336E322-Y326 WeakPolarHBondContact O-CD2 3.18Å; V323-Y326 PolarHBondContact O-N 3.18Å; L324-Y326 VanDerWaalsContact C-N 3.31Å; L324-Y326 PolarHBondContact O-N 3.37Å; Y326-Q328 PolarHBondContact O-N 3.02Å; Y326-Q328 VanDerWaalsContact O-N 3.11Å; Y326-D329 CarbonylContact O-C 3.59Å; Y326-D329 PolarHBondContact O-N 2.88Å; Y326-A332 HydrophobicContact CD1-CB 4.22Å; Y326-W336 HydrophobicContact CD2-CG 4.32Å; Y326-W336 AromaticContact CE2-CD1 3.8Å
327I76.9Confident78.9Confident102 Ų10292.8 Ų92.852%0.52347%0.472SS..THydrogen-bonded Turntrans-66-20.6-169.7-141.3156.6000114.1V323 L324V323-I327 PolarHBondContact O-N 3.2Å; L324-I327 HydrophobicContact CD2-CD1 3.67Å; L324-I327 WeakPolarHBondContact O-CB 3.45Å; L324-I327 WeakPolarHBondContact O-CG2 3.2Å; L324-I327 PolarHBondContact O-N 3.26Å
328Q76.6Confident79Confident195 Ų19587.5 Ų87.591%0.91146%0.463SS*.THydrogen-bonded Turntrans-77.4-23.4177-63.9-178.48.300112.7Y326Y326-Q328 PolarHBondContact O-N 3.02Å; Y326-Q328 VanDerWaalsContact O-N 3.11Å
329D80.3Confident79.1Confident89 Ų8991 Ų9148%0.47647%0.468SS..  trans-111101.2175.4-178-6.6000109.6Y326 S331 A332 C333Y326-D329 CarbonylContact O-C 3.59Å; Y326-D329 PolarHBondContact O-N 2.88Å; D329-S331 PolarHBondContact O-N 3.4Å; D329-S331 VanDerWaalsContact O-N 3.17Å; D329-S331 WeakPolarHBondContact OD1-CB 3.48Å; D329-S331 PolarHBondContact OD1-N 3.39Å; D329-A332 HydrophobicContact CB-CB 3.96Å; D329-A332 PolarHBondContact O-N 3.14Å; D329-A332 PolarHBondContact OD1-N 2.9Å; D329-C333 WeakPolarHBondContact O-CB 3.31Å; D329-C333 PolarHBondContact O-N 2.8Å
330S80.7Confident79.3Confident90 Ų9090.1 Ų90.163%0.62946%0.464SS*.Hα-helixtrans-55.2-34.3-178.2-170.70000112.9Q334S330-Q334 WeakPolarHBondContact O-CG 3.4Å; S330-Q334 PolarHBondContact O-N 3.05Å; S330-Q334 VanDerWaalsContact O-N 3.15Å
331S81.1Confident79.5Confident65 Ų6587 Ų8746%0.45546%0.455SS..Hα-helixtrans-72.2-46.5179.2152.10000111.7D329 Q334 Q335D329-S331 PolarHBondContact O-N 3.4Å; D329-S331 VanDerWaalsContact O-N 3.17Å; D329-S331 WeakPolarHBondContact OD1-CB 3.48Å; D329-S331 PolarHBondContact OD1-N 3.39Å; S331-Q334 PolarHBondContact O-N 2.95Å; S331-Q335 WeakPolarHBondContact O-CG 3.34Å; S331-Q335 PolarHBondContact O-N 3.35Å; S331-Q335 VanDerWaalsContact O-N 3.09Å
332A79.1Confident79.4Confident25 Ų2586.8 Ų86.821%0.20745%0.448CS..Hα-helixtrans-65.6-39.4178.800000111.8Y326 D329 Q335 W336Y326-A332 HydrophobicContact CD1-CB 4.22Å; D329-A332 HydrophobicContact CB-CB 3.96Å; D329-A332 PolarHBondContact O-N 3.14Å; D329-A332 PolarHBondContact OD1-N 2.9Å; A332-Q335 PolarHBondContact O-N 3.26Å; A332-W336 WeakPolarHBondContact O-CB 3.48Å; A332-W336 PolarHBondContact O-N 2.96Å
333C81.4Confident79.3Confident19 Ų1986.1 Ų86.113%0.12845%0.446CS..Hα-helixtrans-62.6-46.2176.4-171.80000112D329 Q335 W336 L337D329-C333 WeakPolarHBondContact O-CB 3.31Å; D329-C333 PolarHBondContact O-N 2.8Å; C333-Q335 PolarHBondContact O-N 3.44Å; C333-W336 PolarHBondContact O-N 3.47Å; C333-L337 WeakPolarHBondContact O-CB 3.44Å; C333-L337 WeakPolarHBondContact O-CG 3.24Å; C333-L337 PolarHBondContact O-N 3.4Å
334Q82.1Confident79.1Confident139 Ų13990.8 Ų90.865%0.6547%0.47SS*.Hα-helixtrans-65-38.8177-77.7-155.2-12.200113.2S330 S331 L337 S338S330-Q334 WeakPolarHBondContact O-CG 3.4Å; S330-Q334 PolarHBondContact O-N 3.05Å; S330-Q334 VanDerWaalsContact O-N 3.15Å; S331-Q334 PolarHBondContact O-N 2.95Å; Q334-L337 PolarHBondContact O-N 3.39Å; Q334-S338 WeakPolarHBondContact O-CB 3.17Å; Q334-S338 PolarHBondContact O-N 3.03Å
335Q82.1Confident79Confident134 Ų13490.2 Ų90.263%0.62648%0.475SS*.Hα-helixtrans-66-40.4176.5-72.6175.622.700112.2S331 A332 C333 R339S331-Q335 WeakPolarHBondContact O-CG 3.34Å; S331-Q335 PolarHBondContact O-N 3.35Å; S331-Q335 VanDerWaalsContact O-N 3.09Å; A332-Q335 PolarHBondContact O-N 3.26Å; C333-Q335 PolarHBondContact O-N 3.44Å; Q335-R339 WeakPolarHBondContact O-CB 3.33Å; Q335-R339 PolarHBondContact O-N 3.15Å
336W83.7Confident77.9Confident45 Ų4586.4 Ų86.417%0.1748%0.475CS..Hα-helixtrans-63.1-47.2175.3-173.6102000111.1M319 E322 V323 Y326 A332 C333 S338 R339 Q340M319-W336 HydrophobicContact CB-CH2 4.03Å; M319-W336 HydrophobicContact CB-CZ2 4.43Å; M319-W336 HydrophobicContact SD-CH2 3.8Å; M319-W336 HydrophobicContact SD-CZ2 3.61Å; E322-W336 HydrophobicContact CB-CZ2 4.17Å; V323-W336 HydrophobicContact CB-CE3 4.47Å; V323-W336 HydrophobicContact CB-CZ3 4.4Å; V323-W336 HydrophobicContact CG2-CD2 4.12Å; V323-W336 HydrophobicContact CG2-CE3 3.42Å; V323-W336 VanDerWaalsContact CG2-CE3 3.42Å; V323-W336 HydrophobicContact CG2-CH2 3.32Å; V323-W336 HydrophobicContact CG2-CZ2 3.95Å; V323-W336 HydrophobicContact CG2-CZ3 3.02Å; Y326-W336 HydrophobicContact CD2-CG 4.32Å; Y326-W336 AromaticContact CE2-CD1 3.8Å; A332-W336 WeakPolarHBondContact O-CB 3.48Å; A332-W336 PolarHBondContact O-N 2.96Å; C333-W336 PolarHBondContact O-N 3.47Å; W336-S338 PolarHBondContact O-N 3.24Å; W336-R339 PolarHBondContact O-N 2.88Å; W336-Q340 HydrophobicContact CE3-CB 4.26Å; W336-Q340 HydrophobicContact CH2-CB 4.15Å; W336-Q340 HydrophobicContact CH2-CG 3.96Å; W336-Q340 HydrophobicContact CZ3-CB 3.85Å; W336-Q340 HydrophobicContact CZ3-CG 4.06Å; W336-Q340 PolarHBondContact O-N 3.01Å
337L82Confident77Confident87 Ų8787 Ų8746%0.45549%0.485SS..Hα-helixtrans-62.8-41.8179.4-74.2167.8000112.2V323 C333 Q334 Q340 A341V323-L337 HydrophobicContact CG1-CD2 4.42Å; V323-L337 HydrophobicContact CG2-CD2 4.46Å; C333-L337 WeakPolarHBondContact O-CB 3.44Å; C333-L337 WeakPolarHBondContact O-CG 3.24Å; C333-L337 PolarHBondContact O-N 3.4Å; Q334-L337 PolarHBondContact O-N 3.39Å; L337-Q340 PolarHBondContact O-N 2.87Å; L337-A341 WeakPolarHBondContact O-CB 3.45Å; L337-A341 PolarHBondContact O-N 3.18Å
338S81.1Confident75.3Confident70 Ų7087 Ų8749%0.4949%0.494SS..Hα-helixtrans-61.8-45.5175.1-171.80000111.4Q334 W336 Q340 A341 D342Q334-S338 WeakPolarHBondContact O-CB 3.17Å; Q334-S338 PolarHBondContact O-N 3.03Å; W336-S338 PolarHBondContact O-N 3.24Å; S338-Q340 VanDerWaalsContact C-N 3.31Å; S338-Q340 PolarHBondContact O-N 3.23Å; S338-A341 PolarHBondContact O-N 3.15Å; S338-D342 VanDerWaalsContact O-CG 3.32Å; S338-D342 PolarHBondContact O-N 3.44Å
339R78.9Confident73.7Confident147 Ų14779.7 Ų79.756%0.55546%0.463SS*.Hα-helixtrans-63.6-37.8179.1-170.8-179.5-173.1-176.92.1112Q335 W336 I343Q335-R339 WeakPolarHBondContact O-CB 3.33Å; Q335-R339 PolarHBondContact O-N 3.15Å; W336-R339 PolarHBondContact O-N 2.88Å; R339-I343 HydrophobicContact CG-CD1 4.48Å; R339-I343 WeakPolarHBondContact O-CD1 3.4Å; R339-I343 VanDerWaalsContact O-CG1 3.3Å; R339-I343 WeakPolarHBondContact O-CG1 3.45Å; R339-I343 PolarHBondContact O-N 2.91Å
340Q79.2Confident71.5Confident32 Ų3281.7 Ų81.715%0.1548%0.479CS..Hα-helixtrans-71.1-38.6177.9-16856.543.200111.9M319 W336 L337 S338 D342 I343 D344M319-Q340 VanDerWaalsContact CE-OE1 3.27Å; W336-Q340 HydrophobicContact CE3-CB 4.26Å; W336-Q340 HydrophobicContact CH2-CB 4.15Å; W336-Q340 HydrophobicContact CH2-CG 3.96Å; W336-Q340 HydrophobicContact CZ3-CB 3.85Å; W336-Q340 HydrophobicContact CZ3-CG 4.06Å; W336-Q340 PolarHBondContact O-N 3.01Å; L337-Q340 PolarHBondContact O-N 2.87Å; S338-Q340 VanDerWaalsContact C-N 3.31Å; S338-Q340 PolarHBondContact O-N 3.23Å; Q340-D342 VanDerWaalsContact C-N 3.32Å; Q340-D342 PolarHBondContact O-N 3.08Å; Q340-I343 PolarHBondContact O-N 3.45Å; Q340-D344 PolarHBondContact NE2-OD1 3.15Å; Q340-D344 VanDerWaalsContact NE2-OD1 3.13Å; Q340-D344 PolarHBondContact O-N 3.17Å
341A78.4Confident69.3Low52 Ų5282.8 Ų82.843%0.4348%0.482SS..Hα-helixtrans-63.6-36.2174.800000112.7L337 S338 S345L337-A341 WeakPolarHBondContact O-CB 3.45Å; L337-A341 PolarHBondContact O-N 3.18Å; S338-A341 PolarHBondContact O-N 3.15Å; A341-S345 WeakPolarHBondContact O-CB 3.21Å; A341-S345 PolarHBondContact O-N 3.19Å; A341-S345 VanDerWaalsContact O-N 3.12Å; A341-S345 PolarHBondContact O-OG 3.18Å
342D77.2Confident67.2Low71 Ų7183.8 Ų83.838%0.3849%0.487SS..Hα-helixtrans-63.8-44.8174.1-68.4-28.3000111.5S338 Q340 S345 L347S338-D342 VanDerWaalsContact O-CG 3.32Å; S338-D342 PolarHBondContact O-N 3.44Å; Q340-D342 VanDerWaalsContact C-N 3.32Å; Q340-D342 PolarHBondContact O-N 3.08Å; D342-S345 PolarHBondContact O-N 3.1Å; D342-L347 PolarHBondContact O-N 2.89Å; D342-L347 VanDerWaalsContact O-O 3.05Å
343I74.1Confident64.9Low73 Ų7387.9 Ų87.937%0.37451%0.509SS..Hα-helixtrans-60.9-47177.3-67.3165.7000111.2R339 Q340 S345 G346 P349R339-I343 HydrophobicContact CG-CD1 4.48Å; R339-I343 WeakPolarHBondContact O-CD1 3.4Å; R339-I343 VanDerWaalsContact O-CG1 3.3Å; R339-I343 WeakPolarHBondContact O-CG1 3.45Å; R339-I343 PolarHBondContact O-N 2.91Å; Q340-I343 PolarHBondContact O-N 3.45Å; I343-S345 PolarHBondContact O-N 3.02Å; I343-G346 PolarHBondContact O-N 3.44Å; I343-P349 HydrophobicContact CD1-CG 4.09Å; I343-P349 HydrophobicContact CG1-CG 3.36Å
344D74.4Confident62.6Low123 Ų12391.8 Ų91.866%0.65854%0.542SS*.Hα-helixtrans-68.3-24.5-178.3-73-1.2000112.4Q340 G346Q340-D344 PolarHBondContact NE2-OD1 3.15Å; Q340-D344 VanDerWaalsContact NE2-OD1 3.13Å; Q340-D344 PolarHBondContact O-N 3.17Å; D344-G346 PolarHBondContact O-N 2.75Å
345S76.1Confident60.1Low87 Ų8789 Ų8961%0.60854%0.538SS*.THydrogen-bonded Turntrans-79.94.6176.9-57.60000113.7A341 D342 I343 L347A341-S345 WeakPolarHBondContact O-CB 3.21Å; A341-S345 PolarHBondContact O-N 3.19Å; A341-S345 VanDerWaalsContact O-N 3.12Å; A341-S345 PolarHBondContact O-OG 3.18Å; D342-S345 PolarHBondContact O-N 3.1Å; I343-S345 PolarHBondContact O-N 3.02Å; S345-L347 PolarHBondContact O-N 3.25Å
346G54Low57.8Low70 Ų7091 Ų9172%0.72255%0.554SS**THydrogen-bonded Turntrans70.75.7-178.400000113.8I343 D344 S348I343-G346 PolarHBondContact O-N 3.44Å; D344-G346 PolarHBondContact O-N 2.75Å; G346-S348 PolarHBondContact O-N 3.02Å
347L58.6Low55.2Low111 Ų11191 Ų9158%0.58156%0.56SS**  trans-75.7105.9166-67.5167.3000105.9D342 S345 P349D342-L347 PolarHBondContact O-N 2.89Å; D342-L347 VanDerWaalsContact O-O 3.05Å; S345-L347 PolarHBondContact O-N 3.25Å; L347-P349 VanDerWaalsContact O-CD 3.24Å; L347-P349 WeakPolarHBondContact O-CD 3.36Å
348S40.4Very low53Low104 Ų10490.5 Ų90.573%0.72758%0.576SS**  trans-55.6119.3168.5-166.90000106.5G346 T350G346-S348 PolarHBondContact O-N 3.02Å; S348-T350 PolarHBondContact O-N 3.36Å
349P42.3Very low50.9Low40 Ų4099.2 Ų99.226%0.2660%0.598SS.*  trans-56.1121.1170.3-15.327.5000104.2I343 L347 V351I343-P349 HydrophobicContact CD1-CG 4.09Å; I343-P349 HydrophobicContact CG1-CG 3.36Å; L347-P349 VanDerWaalsContact O-CD 3.24Å; L347-P349 WeakPolarHBondContact O-CD 3.36Å; P349-V351 PolarHBondContact O-N 3.46Å
350T35.8Very low49.2Very low132 Ų132101.9 Ų101.981%0.8161%0.608SS**  trans-52.1100.5165.537.90000105.3S348 P352S348-T350 PolarHBondContact O-N 3.36Å; T350-P352 WeakPolarHBondContact O-CD 3.27Å
351V33.3Very low47.6Very low113 Ų113105.3 Ų105.369%0.68564%0.636SS**  trans-48.8107.2-1741730000106.8P349 V353P349-V351 PolarHBondContact O-N 3.46Å; V351-V353 VanDerWaalsContact C-N 3.28Å; V351-V353 HydrophobicContact CG1-CG2 4.22Å; V351-V353 PolarHBondContact O-N 3.33Å
352P36.6Very low46.1Very low85 Ų85105 Ų10555%0.55263%0.633SS**  trans-73.6108.4146.79.312.4000101.2T350 A354T350-P352 WeakPolarHBondContact O-CD 3.27Å; P352-A354 PolarHBondContact O-N 3.31Å
353V32.2Very low45.2Very low112 Ų112106.8 Ų106.868%0.67965%0.649SS**  trans-36.7125.7162.1169.90000105.9V351 S355V351-V353 VanDerWaalsContact C-N 3.28Å; V351-V353 HydrophobicContact CG1-CG2 4.22Å; V351-V353 PolarHBondContact O-N 3.33Å; V353-S355 PolarHBondContact O-N 2.88Å
354A32.3Very low44.6Very low100 Ų100107.1 Ų107.183%0.82666%0.656SS**  trans-49.298.3175.700000108P352P352-A354 PolarHBondContact O-N 3.31Å
355S28.9Very low44.4Very low81 Ų81103.4 Ų103.457%0.56664%0.635SS**  trans-113.482.2162.954.10000103.6V353 S357V353-S355 PolarHBondContact O-N 2.88Å; S355-S357 PolarHBondContact O-N 3.1Å
356N33.5Very low44.1Very low177 Ų177105.7 Ų105.795%0.94764%0.641SS**  trans-65.375147.2-10910.7000107.4
357S30.7Very low44.8Very low44 Ų44103.1 Ų103.131%0.30861%0.611SS.*SBendtrans-155.895.4159.665.30000102.8S355 R359S355-S357 PolarHBondContact O-N 3.1Å; S357-R359 PolarHBondContact O-N 3.5Å
358G35.2Very low44.9Very low77 Ų77103.9 Ų103.979%0.79462%0.62SS**SBendtrans-45119.9163.700000106.3R360G358-R360 VanDerWaalsContact C-N 3.27Å; G358-R360 PolarHBondContact O-N 2.83Å
359R36.7Very low45.8Very low252 Ų252102.8 Ų102.895%0.95163%0.625SS**  trans-20.888.5-163-78.6179.2179.8168.90.6110.7S357 S361S357-R359 PolarHBondContact O-N 3.5Å; R359-S361 PolarHBondContact O-N 3.43Å
360R42.8Very low47Very low204 Ų204103.7 Ų103.777%0.7763%0.627SS**PPolyproline II helixtrans-64.5118.5171.4-79.6-178.8-168-1656.5102.4G358 A362G358-R360 VanDerWaalsContact C-N 3.27Å; G358-R360 PolarHBondContact O-N 2.83Å; R360-A362 PolarHBondContact O-N 2.87Å
361S45.2Very low48.1Very low103 Ų103102.4 Ų102.472%0.7262%0.621SS**PPolyproline II helixtrans-48.4131.7171.455.90000106.6R359R359-S361 PolarHBondContact O-N 3.43Å
362A47.8Very low49.5Very low46 Ų4698.3 Ų98.338%0.3860%0.602SS.*PPolyproline II helixtrans-46.2138.1174.100000108.8R360R360-A362 PolarHBondContact O-N 2.87Å
363P57.7Low51.1Low108 Ų10895.5 Ų95.570%0.70158%0.583SS**PPolyproline II helixtrans-47.6139.8-177.5-26.732.3000110.7L365P363-L365 PolarHBondContact O-N 2.72Å
364P63.2Low52.9Low81 Ų8198.8 Ų98.853%0.52659%0.591SS.*PPolyproline II helixtrans-52.8136.4-179.219.1-29.6000110.2N366 Q385P364-N366 PolarHBondContact O-N 3.24Å; P364-Q385 HydrophobicContact CB-CB 3.83Å; P364-Q385 HydrophobicContact CB-CG 4.38Å
365L69.5Low54.8Low44 Ų44102.1 Ų102.123%0.2359%0.587CS.*PPolyproline II helixtrans-61.7117.6-178.5-171.778.8000109.8P363 L367 L370 Q385 R388P363-L365 PolarHBondContact O-N 2.72Å; L365-L367 HydrophobicContact CD2-CD2 4.09Å; L365-L367 PolarHBondContact O-N 3.07Å; L365-L367 VanDerWaalsContact O-N 3.09Å; L365-L370 HydrophobicContact CD2-CD1 4.38Å; L365-Q385 PolarHBondContact N-O 2.97Å; L365-Q385 WeakPolarHBondContact O-CG 3.16Å; L365-R388 HydrophobicContact CB-CG 4.41Å
366N70.1Confident57.1Low135 Ų13598.5 Ų98.572%0.72256%0.561SS**PPolyproline II helixtrans-61.8116.6173.4-86.5-53000109.8P364 T368P364-N366 PolarHBondContact O-N 3.24Å; N366-T368 VanDerWaalsContact C-N 3.33Å
367L67.6Low59.3Low17 Ų1794.8 Ų94.89%0.08954%0.542CS..  trans-87.9-0.1-177.5-63.7-177.6000112.8L365 G369 T373 K381 C384 Q385 P391L365-L367 HydrophobicContact CD2-CD2 4.09Å; L365-L367 PolarHBondContact O-N 3.07Å; L365-L367 VanDerWaalsContact O-N 3.09Å; L367-G369 PolarHBondContact O-N 3.48Å; L367-T373 HydrophobicContact CB-CG2 4.23Å; L367-T373 WeakPolarHBondContact O-CG2 3.33Å; L367-K381 HydrophobicContact CD1-CB 3.74Å; L367-K381 HydrophobicContact CD1-CG 3.99Å; L367-C384 HydrophobicContact CD1-CB 4.43Å; L367-C384 HydrophobicContact CD2-CB 4.29Å; L367-Q385 HydrophobicContact CD1-CG 3.76Å; L367-Q385 HydrophobicContact CG-CG 3.8Å; L367-P391 HydrophobicContact CD2-CG 3.79Å
368T60.4Low61.4Low127 Ų127100.3 Ų100.378%0.77956%0.563SS**THydrogen-bonded Turntrans-67.9118.4-178.76.80000110.9N366N366-T368 VanDerWaalsContact C-N 3.33Å
369G59.7Low63.6Low81 Ų81101.8 Ų101.884%0.83555%0.547SS*.THydrogen-bonded Turntrans88.54.5174.400000116.7L367L367-G369 PolarHBondContact O-N 3.48Å
370L67.4Low65.7Low58 Ų5890.1 Ų90.130%0.30450%0.504SS..  trans-86.3142.8176.1-67.6174000112L365 G372 T373L365-L370 HydrophobicContact CD2-CD1 4.38Å; L370-G372 PolarHBondContact O-N 2.68Å; L370-T373 HydrophobicContact CB-CG2 3.87Å; L370-T373 WeakPolarHBondContact O-CG2 3.34Å; L370-T373 PolarHBondContact O-OG1 3.17Å
371P59.8Low67.5Low105 Ų10584 Ų8468%0.68248%0.482SS*.THydrogen-bonded Turntrans-66.2133.4178.125.8-32.8000111.4
372G61.4Low69.1Low27 Ų2784.6 Ų84.628%0.27847%0.474SS..THydrogen-bonded Turntrans92.3117800000115.8L370 E374 K375L370-G372 PolarHBondContact O-N 2.68Å; G372-E374 VanDerWaalsContact C-N 3.28Å; G372-E374 PolarHBondContact O-N 3.3Å; G372-K375 PolarHBondContact O-N 3.09Å
373T70.2Confident70.8Confident27 Ų2783 Ų8317%0.16646%0.459CS..G310 helixtrans-63.9-30.417753.70000113.6L367 L370 K375 L376 K381 P391L367-T373 HydrophobicContact CB-CG2 4.23Å; L367-T373 WeakPolarHBondContact O-CG2 3.33Å; L370-T373 HydrophobicContact CB-CG2 3.87Å; L370-T373 WeakPolarHBondContact O-CG2 3.34Å; L370-T373 PolarHBondContact O-OG1 3.17Å; T373-K375 VanDerWaalsContact C-N 3.25Å; T373-K375 PolarHBondContact O-N 2.9Å; T373-L376 PolarHBondContact O-N 3.36Å; T373-K381 WeakPolarHBondContact O-CE 3.46Å; T373-P391 HydrophobicContact CG2-CB 4.24Å; T373-P391 HydrophobicContact CG2-CG 3.7Å
374E70.7Confident71.9Confident181 Ų18177.9 Ų77.985%0.84643%0.426SS*.G310 helixtrans-71.9-20.3-179.3-56.7-167.9-17800112.9G372G372-E374 VanDerWaalsContact C-N 3.28Å; G372-E374 PolarHBondContact O-N 3.3Å
375K72.7Confident72.7Confident169 Ų16977.1 Ų77.174%0.73542%0.415SS*.G310 helixtrans-93.22.3-178.6-62.2-178.2-179.6179.90113.6G372 T373 L395G372-K375 PolarHBondContact O-N 3.09Å; T373-K375 VanDerWaalsContact C-N 3.25Å; T373-K375 PolarHBondContact O-N 2.9Å; K375-L395 HydrophobicContact CB-CD1 3.94Å; K375-L395 HydrophobicContact CD-CD1 4.44Å
376L76.3Confident73.2Confident5 Ų581.5 Ų81.53%0.02644%0.436CS..SBendtrans-101.3137.6-179.9-65.4178.9000111.9T373 E380 K381 P391 Y394 L395T373-L376 PolarHBondContact O-N 3.36Å; L376-E380 HydrophobicContact CB-CB 4.18Å; L376-E380 HydrophobicContact CD2-CB 4.02Å; L376-K381 HydrophobicContact CB-CG 3.75Å; L376-K381 HydrophobicContact CD1-CG 4.31Å; L376-K381 WeakPolarHBondContact O-CE 3.22Å; L376-P391 HydrophobicContact CD1-CB 3.48Å; L376-P391 VanDerWaalsContact CD1-CB 3.48Å; L376-P391 HydrophobicContact CD1-CG 3.69Å; L376-P391 HydrophobicContact CG-CB 4.26Å; L376-Y394 HydrophobicContact CD2-CD1 3.41Å; L376-Y394 VanDerWaalsContact CD2-CD1 3.41Å; L376-Y394 HydrophobicContact CD2-CE1 3.76Å; L376-L395 HydrophobicContact CD2-CD2 3.76Å; L376-L395 HydrophobicContact CD2-CG 4Å
377N80.3Confident73.7Confident100 Ų10075.4 Ų75.454%0.53540%0.404SS..  trans-71.9160.9168.6-73.3-14.3000111.4K379 E380 K381N377-K379 VanDerWaalsContact C-N 3.31Å; N377-K379 PolarHBondContact O-N 3.41Å; N377-E380 HydrophobicContact CB-CG 4.24Å; N377-E380 PolarHBondContact N-OE2 2.89Å; N377-E380 WeakPolarHBondContact O-CA 3.22Å; N377-E380 WeakPolarHBondContact O-CB 3.47Å; N377-E380 PolarHBondContact O-N 3.15Å; N377-K381 WeakPolarHBondContact O-CG 3.33Å; N377-K381 PolarHBondContact O-N 3.45Å
378E75.8Confident74.3Confident160 Ų16081 Ų8175%0.74842%0.424SS*.Hα-helixtrans-53.5-44.5-179.5-81.5176.5162.400113E380 K381 E382E378-E380 VanDerWaalsContact C-N 3.29Å; E378-E380 PolarHBondContact O-N 2.94Å; E378-K381 WeakPolarHBondContact O-CB 3.43Å; E378-K381 PolarHBondContact O-N 3.41Å; E378-E382 WeakPolarHBondContact O-CG 3.38Å; E378-E382 PolarHBondContact O-N 3.32Å
379K80.3Confident75.3Confident108 Ų10875.7 Ų75.747%0.4739%0.39SS..Hα-helixtrans-62.8-32.8175.6-62.6-177.8179.2-179.40113.6N377 L383 F433 E437N377-K379 VanDerWaalsContact C-N 3.31Å; N377-K379 PolarHBondContact O-N 3.41Å; K379-L383 PolarHBondContact O-N 2.96Å; K379-L383 VanDerWaalsContact O-N 3.12Å; K379-F433 HydrophobicContact CB-CE2 4.15Å; K379-F433 HydrophobicContact CB-CZ 4.05Å; K379-E437 WeakPolarHBondContact CD-OE1 3.38Å; K379-E437 VanDerWaalsContact NZ-CD 3.29Å; K379-E437 IonicContact NZ-OE1 3.14Å; K379-E437 PolarHBondContact NZ-OE1 2.96Å; K379-E437 IonicContact NZ-OE2 3.41Å; K379-E437 PolarHBondContact NZ-OE2 2.94Å
380E81.9Confident76.4Confident7 Ų775 Ų753%0.03337%0.37CS..Hα-helixtrans-78.4-33.7178.3-60.6178.6138.300111.3L376 N377 E378 L383 C384 Y394 K398 F433L376-E380 HydrophobicContact CB-CB 4.18Å; L376-E380 HydrophobicContact CD2-CB 4.02Å; N377-E380 HydrophobicContact CB-CG 4.24Å; N377-E380 PolarHBondContact N-OE2 2.89Å; N377-E380 WeakPolarHBondContact O-CA 3.22Å; N377-E380 WeakPolarHBondContact O-CB 3.47Å; N377-E380 PolarHBondContact O-N 3.15Å; E378-E380 VanDerWaalsContact C-N 3.29Å; E378-E380 PolarHBondContact O-N 2.94Å; E380-L383 PolarHBondContact O-N 3.39Å; E380-C384 WeakPolarHBondContact O-CB 3.34Å; E380-C384 PolarHBondContact O-N 2.86Å; E380-C384 PolarHBondContact O-SG 3.32Å; E380-Y394 HydrophobicContact CB-CE1 3.98Å; E380-Y394 HydrophobicContact CG-CE1 4.04Å; E380-Y394 PolarHBondContact OE1-OH 2.82Å; E380-K398 IonicContact OE1-NZ 2.8Å; E380-K398 PolarHBondContact OE1-NZ 3.02Å; E380-F433 HydrophobicContact CG-CE1 4.04Å; E380-F433 HydrophobicContact CG-CZ 4.04Å
381K79Confident77.1Confident74 Ų7472.3 Ų72.332%0.32236%0.356SS..Hα-helixtrans-61.7-46.3170.4-70.8174.9178.4166.70110.4L367 T373 L376 N377 E378 L383 C384 Q385L367-K381 HydrophobicContact CD1-CB 3.74Å; L367-K381 HydrophobicContact CD1-CG 3.99Å; T373-K381 WeakPolarHBondContact O-CE 3.46Å; L376-K381 HydrophobicContact CB-CG 3.75Å; L376-K381 HydrophobicContact CD1-CG 4.31Å; L376-K381 WeakPolarHBondContact O-CE 3.22Å; N377-K381 WeakPolarHBondContact O-CG 3.33Å; N377-K381 PolarHBondContact O-N 3.45Å; E378-K381 WeakPolarHBondContact O-CB 3.43Å; E378-K381 PolarHBondContact O-N 3.41Å; K381-L383 PolarHBondContact O-N 3.21Å; K381-C384 PolarHBondContact O-N 3.4Å; K381-Q385 WeakPolarHBondContact O-CB 3.34Å; K381-Q385 VanDerWaalsContact O-CG 3.22Å; K381-Q385 WeakPolarHBondContact O-CG 3.47Å; K381-Q385 PolarHBondContact O-N 2.94Å
382E80.6Confident78.1Confident117 Ų11768.4 Ų68.455%0.54734%0.335SS..Hα-helixtrans-59.9-42.9174.6-73178.2179.800112.3E378 Q385 M386E378-E382 WeakPolarHBondContact O-CG 3.38Å; E378-E382 PolarHBondContact O-N 3.32Å; E382-Q385 WeakPolarHBondContact O-CB 3.14Å; E382-Q385 PolarHBondContact O-N 3.43Å; E382-M386 WeakPolarHBondContact O-CB 3.25Å; E382-M386 WeakPolarHBondContact O-CG 3.28Å; E382-M386 PolarHBondContact O-N 3.1Å
383L82Confident79.1Confident12 Ų1268.3 Ų68.36%0.06333%0.331CS..Hα-helixtrans-62.6-46.7175.6-174.975.5000111.6K379 E380 K381 Q385 M386 V387 Y394 F433K379-L383 PolarHBondContact O-N 2.96Å; K379-L383 VanDerWaalsContact O-N 3.12Å; E380-L383 PolarHBondContact O-N 3.39Å; K381-L383 PolarHBondContact O-N 3.21Å; L383-Q385 VanDerWaalsContact C-N 3.29Å; L383-Q385 PolarHBondContact O-N 3.5Å; L383-M386 PolarHBondContact O-N 3.21Å; L383-V387 HydrophobicContact CD1-CG2 3.77Å; L383-V387 HydrophobicContact CG-CG2 4.08Å; L383-V387 VanDerWaalsContact O-CB 3.25Å; L383-V387 WeakPolarHBondContact O-CB 3.41Å; L383-V387 VanDerWaalsContact O-CG2 3.28Å; L383-V387 WeakPolarHBondContact O-CG2 3.42Å; L383-V387 PolarHBondContact O-N 3.09Å; L383-Y394 HydrophobicContact CD2-CD2 4.36Å; L383-Y394 HydrophobicContact CD2-CE2 3.6Å; L383-F433 HydrophobicContact CD1-CB 4.09Å; L383-F433 HydrophobicContact CD1-CD2 4.2Å; L383-F433 HydrophobicContact CD1-CG 4.2Å; L383-F433 HydrophobicContact CD2-CB 3.91Å; L383-F433 HydrophobicContact CD2-CD1 3.65Å; L383-F433 HydrophobicContact CD2-CD2 4.17Å; L383-F433 HydrophobicContact CD2-CE1 4.17Å; L383-F433 HydrophobicContact CD2-CG 3.64Å; L383-F433 HydrophobicContact CG-CG 4.42Å
384C80.5Confident79.9Confident1 Ų167 Ų671%0.00732%0.324CS..Hα-helixtrans-62.2-37.9178.3-700000111.7L367 E380 K381 R388 L389L367-C384 HydrophobicContact CD1-CB 4.43Å; L367-C384 HydrophobicContact CD2-CB 4.29Å; E380-C384 WeakPolarHBondContact O-CB 3.34Å; E380-C384 PolarHBondContact O-N 2.86Å; E380-C384 PolarHBondContact O-SG 3.32Å; K381-C384 PolarHBondContact O-N 3.4Å; C384-R388 WeakPolarHBondContact O-CA 3.48Å; C384-R388 PolarHBondContact O-N 3.31Å; C384-L389 WeakPolarHBondContact CB-O 3.33Å; C384-L389 PolarHBondContact O-N 3.43Å
385Q80.9Confident80.5Confident65 Ų6560.7 Ų60.730%0.30430%0.295SS..Hα-helixtrans-62.9-50.1173.6-76.9175.76.600112P364 L365 L367 K381 E382 L383P364-Q385 HydrophobicContact CB-CB 3.83Å; P364-Q385 HydrophobicContact CB-CG 4.38Å; L365-Q385 PolarHBondContact N-O 2.97Å; L365-Q385 WeakPolarHBondContact O-CG 3.16Å; L367-Q385 HydrophobicContact CD1-CG 3.76Å; L367-Q385 HydrophobicContact CG-CG 3.8Å; K381-Q385 WeakPolarHBondContact O-CB 3.34Å; K381-Q385 VanDerWaalsContact O-CG 3.22Å; K381-Q385 WeakPolarHBondContact O-CG 3.47Å; K381-Q385 PolarHBondContact O-N 2.94Å; E382-Q385 WeakPolarHBondContact O-CB 3.14Å; E382-Q385 PolarHBondContact O-N 3.43Å; L383-Q385 VanDerWaalsContact C-N 3.29Å; L383-Q385 PolarHBondContact O-N 3.5Å
386M79.3Confident81.1Confident135 Ų13559.1 Ų59.167%0.66529%0.291SS*.Hα-helixtrans-71.3-37.6-178-73.2-161.7-58.100113.9E382 L383 R388E382-M386 WeakPolarHBondContact O-CB 3.25Å; E382-M386 WeakPolarHBondContact O-CG 3.28Å; E382-M386 PolarHBondContact O-N 3.1Å; L383-M386 PolarHBondContact O-N 3.21Å; M386-R388 VanDerWaalsContact C-N 3.32Å
387V81.8Confident81.7Confident8 Ų861.5 Ų61.55%0.04830%0.3CS..Hα-helixtrans-87.5-9.8-178.7-1770000111.2L383 K426 K429L383-V387 HydrophobicContact CD1-CG2 3.77Å; L383-V387 HydrophobicContact CG-CG2 4.08Å; L383-V387 VanDerWaalsContact O-CB 3.25Å; L383-V387 WeakPolarHBondContact O-CB 3.41Å; L383-V387 VanDerWaalsContact O-CG2 3.28Å; L383-V387 WeakPolarHBondContact O-CG2 3.42Å; L383-V387 PolarHBondContact O-N 3.09Å; V387-K426 HydrophobicContact CG1-CB 3.72Å; V387-K426 HydrophobicContact CG1-CD 3.98Å; V387-K426 HydrophobicContact CG1-CG 3.67Å; V387-K426 WeakPolarHBondContact O-CE 3.25Å; V387-K426 PolarHBondContact O-NZ 3.38Å; V387-K429 HydrophobicContact CG2-CB 3.94Å; V387-K429 HydrophobicContact CG2-CD 3.85Å
388R80.4Confident82Confident135 Ų13558.4 Ų58.451%0.50928%0.281SS..THydrogen-bonded Turntrans52.663.2-175-60.7179.863.8-153.61.7110.3L365 C384 M386 K426L365-R388 HydrophobicContact CB-CG 4.41Å; C384-R388 WeakPolarHBondContact O-CA 3.48Å; C384-R388 PolarHBondContact O-N 3.31Å; M386-R388 VanDerWaalsContact C-N 3.32Å; R388-K426 PolarHBondContact O-NZ 2.99Å
389L81Confident82.5Confident14 Ų1453.7 Ų53.77%0.07327%0.27CS..  trans-119.8134.6-180-15872000108.7C384 Y394 Y397 I430C384-L389 WeakPolarHBondContact CB-O 3.33Å; C384-L389 PolarHBondContact O-N 3.43Å; L389-Y394 HydrophobicContact CD2-CD2 3.87Å; L389-Y394 HydrophobicContact CD2-CG 4.22Å; L389-Y397 HydrophobicContact CD1-CD2 4.42Å; L389-Y397 HydrophobicContact CD1-CE2 4.03Å; L389-Y397 HydrophobicContact CD2-CD2 4.03Å; L389-Y397 HydrophobicContact CD2-CE2 4.41Å; L389-I430 HydrophobicContact CD2-CD1 3.72Å
390V82.9Confident82.8Confident68 Ų6850.6 Ų50.641%0.41226%0.264SS..  trans-70.1132.8175.7179.90000108.5G392 A393 Y394V390-G392 VanDerWaalsContact C-N 3.31Å; V390-G392 PolarHBondContact O-N 3.01Å; V390-A393 PolarHBondContact O-N 3.03Å; V390-Y394 PolarHBondContact O-N 3.47Å
391P82.3Confident83Confident0 Ų050.3 Ų50.30%026%0.263CS..Hα-helixtrans-47.8-43.9-178.9-38.242.6000115.8L367 T373 L376 Y394 L395L367-P391 HydrophobicContact CD2-CG 3.79Å; T373-P391 HydrophobicContact CG2-CB 4.24Å; T373-P391 HydrophobicContact CG2-CG 3.7Å; L376-P391 HydrophobicContact CD1-CB 3.48Å; L376-P391 VanDerWaalsContact CD1-CB 3.48Å; L376-P391 HydrophobicContact CD1-CG 3.69Å; L376-P391 HydrophobicContact CG-CB 4.26Å; P391-Y394 WeakPolarHBondContact O-CB 3.31Å; P391-Y394 PolarHBondContact O-N 2.97Å; P391-L395 WeakPolarHBondContact O-CG 3.03Å; P391-L395 PolarHBondContact O-N 3.12Å; P391-L395 VanDerWaalsContact O-N 3.09Å
392G80.1Confident83.4Confident24 Ų2448.3 Ų48.325%0.24726%0.257CS..Hα-helixtrans-57.9-49.9175.700000112.9V390 Y394 L395 E396V390-G392 VanDerWaalsContact C-N 3.31Å; V390-G392 PolarHBondContact O-N 3.01Å; G392-Y394 VanDerWaalsContact C-N 3.32Å; G392-Y394 PolarHBondContact O-N 3.28Å; G392-L395 PolarHBondContact O-N 3.46Å; G392-E396 PolarHBondContact O-N 3.3Å; G392-E396 VanDerWaalsContact O-N 3.17Å
393A82.9Confident83.8Confident25 Ų2547 Ų4721%0.20725%0.253CS..Hα-helixtrans-64.1-36.1178.200000112.3V390 E396 Y397V390-A393 PolarHBondContact O-N 3.03Å; A393-E396 PolarHBondContact O-N 3.09Å; A393-Y397 HydrophobicContact CB-CE2 3.86Å; A393-Y397 WeakPolarHBondContact O-CD2 3.43Å; A393-Y397 WeakPolarHBondContact O-CE2 3.48Å; A393-Y397 PolarHBondContact O-N 3.17Å
394Y85.7Confident83.9Confident0 Ų048.3 Ų48.30%026%0.259CS..Hα-helixtrans-59.9-45.9173.8174.5-101.9000112.4L376 E380 L383 L389 V390 P391 G392 E396 Y397 K398 I430 F433L376-Y394 HydrophobicContact CD2-CD1 3.41Å; L376-Y394 VanDerWaalsContact CD2-CD1 3.41Å; L376-Y394 HydrophobicContact CD2-CE1 3.76Å; E380-Y394 HydrophobicContact CB-CE1 3.98Å; E380-Y394 HydrophobicContact CG-CE1 4.04Å; E380-Y394 PolarHBondContact OE1-OH 2.82Å; L383-Y394 HydrophobicContact CD2-CD2 4.36Å; L383-Y394 HydrophobicContact CD2-CE2 3.6Å; L389-Y394 HydrophobicContact CD2-CD2 3.87Å; L389-Y394 HydrophobicContact CD2-CG 4.22Å; V390-Y394 PolarHBondContact O-N 3.47Å; P391-Y394 WeakPolarHBondContact O-CB 3.31Å; P391-Y394 PolarHBondContact O-N 2.97Å; G392-Y394 VanDerWaalsContact C-N 3.32Å; G392-Y394 PolarHBondContact O-N 3.28Å; Y394-E396 VanDerWaalsContact C-N 3.31Å; Y394-E396 PolarHBondContact O-N 2.88Å; Y394-Y397 PolarHBondContact O-N 3.39Å; Y394-K398 HydrophobicContact CE1-CB 4.44Å; Y394-K398 HydrophobicContact CE1-CD 4.05Å; Y394-K398 WeakPolarHBondContact O-CB 3.48Å; Y394-K398 PolarHBondContact O-N 3.05Å; Y394-I430 HydrophobicContact CE2-CG2 4.3Å; Y394-F433 WeakPolarHBondContact OH-CE1 3.2Å
395L84.7Confident84.2Confident48 Ų4848.4 Ų48.425%0.25126%0.26SS..Hα-helixtrans-63.8-39-179.4-70171.3000111.6K375 L376 P391 G392 K398 A399K375-L395 HydrophobicContact CB-CD1 3.94Å; K375-L395 HydrophobicContact CD-CD1 4.44Å; L376-L395 HydrophobicContact CD2-CD2 3.76Å; L376-L395 HydrophobicContact CD2-CG 4Å; P391-L395 WeakPolarHBondContact O-CG 3.03Å; P391-L395 PolarHBondContact O-N 3.12Å; P391-L395 VanDerWaalsContact O-N 3.09Å; G392-L395 PolarHBondContact O-N 3.46Å; L395-K398 PolarHBondContact O-N 3.24Å; L395-A399 WeakPolarHBondContact O-CB 3.04Å; L395-A399 PolarHBondContact O-N 3.21Å
396E85Confident84.5Confident136 Ų13651.2 Ų51.264%0.63628%0.277SS*.Hα-helixtrans-63-47.3173.8-70.8173.2-167.500111.7G392 A393 Y394 K398 A399 A400G392-E396 PolarHBondContact O-N 3.3Å; G392-E396 VanDerWaalsContact O-N 3.17Å; A393-E396 PolarHBondContact O-N 3.09Å; Y394-E396 VanDerWaalsContact C-N 3.31Å; Y394-E396 PolarHBondContact O-N 2.88Å; E396-K398 PolarHBondContact O-N 3.29Å; E396-A399 PolarHBondContact O-N 3.09Å; E396-A400 WeakPolarHBondContact O-CB 3.3Å; E396-A400 PolarHBondContact O-N 3.02Å
397Y88.3Confident84.7Confident55 Ų5551.4 Ų51.422%0.21627%0.274CS..Hα-helixtrans-65.3-40.1177.6-59.9-34.6000112.3L389 A393 Y394 A400 L401 I420 I422L389-Y397 HydrophobicContact CD1-CD2 4.42Å; L389-Y397 HydrophobicContact CD1-CE2 4.03Å; L389-Y397 HydrophobicContact CD2-CD2 4.03Å; L389-Y397 HydrophobicContact CD2-CE2 4.41Å; A393-Y397 HydrophobicContact CB-CE2 3.86Å; A393-Y397 WeakPolarHBondContact O-CD2 3.43Å; A393-Y397 WeakPolarHBondContact O-CE2 3.48Å; A393-Y397 PolarHBondContact O-N 3.17Å; Y394-Y397 PolarHBondContact O-N 3.39Å; Y397-A400 PolarHBondContact O-N 2.9Å; Y397-L401 WeakPolarHBondContact O-CB 3.32Å; Y397-L401 VanDerWaalsContact O-CG 3.22Å; Y397-L401 WeakPolarHBondContact O-CG 3.22Å; Y397-L401 PolarHBondContact O-N 3.04Å; Y397-I420 HydrophobicContact CD1-CB 3.68Å; Y397-I420 HydrophobicContact CD1-CG2 3.68Å; Y397-I420 HydrophobicContact CE1-CB 4.17Å; Y397-I420 HydrophobicContact CG-CB 4.17Å; Y397-I420 HydrophobicContact CG-CD1 4.47Å; Y397-I420 HydrophobicContact CG-CG2 4.07Å; Y397-I422 HydrophobicContact CD2-CD1 4.24Å; Y397-I422 HydrophobicContact CE1-CG2 4.17Å; Y397-I422 HydrophobicContact CE2-CD1 4.19Å; Y397-I422 HydrophobicContact CE2-CG2 3.86Å; Y397-I422 WeakPolarHBondContact OH-CG2 3.45Å
398K86.6Confident84.6Confident35 Ų3556 Ų5615%0.15230%0.295CS..Hα-helixtrans-60.4-49174.5178.1178.4178.6-177.10110.6E380 Y394 L395 E396 A400 L401 V402 L434E380-K398 IonicContact OE1-NZ 2.8Å; E380-K398 PolarHBondContact OE1-NZ 3.02Å; Y394-K398 HydrophobicContact CE1-CB 4.44Å; Y394-K398 HydrophobicContact CE1-CD 4.05Å; Y394-K398 WeakPolarHBondContact O-CB 3.48Å; Y394-K398 PolarHBondContact O-N 3.05Å; L395-K398 PolarHBondContact O-N 3.24Å; E396-K398 PolarHBondContact O-N 3.29Å; K398-A400 VanDerWaalsContact C-N 3.35Å; K398-A400 PolarHBondContact O-N 3.37Å; K398-L401 PolarHBondContact O-N 3.22Å; K398-V402 HydrophobicContact CG-CG2 4.33Å; K398-V402 WeakPolarHBondContact O-CB 3.44Å; K398-V402 VanDerWaalsContact O-CG2 3.25Å; K398-V402 WeakPolarHBondContact O-CG2 3.44Å; K398-V402 PolarHBondContact O-N 3.42Å; K398-L434 HydrophobicContact CD-CD2 4.23Å; K398-L434 HydrophobicContact CG-CD2 3.92Å
399A87.5Confident84.5Confident61 Ų6152.6 Ų52.650%0.50430%0.303SS..Hα-helixtrans-61.1-43.5178.900000111.8L395 E396 N403L395-A399 WeakPolarHBondContact O-CB 3.04Å; L395-A399 PolarHBondContact O-N 3.21Å; E396-A399 PolarHBondContact O-N 3.09Å; A399-N403 WeakPolarHBondContact O-CB 2.98Å; A399-N403 PolarHBondContact O-N 3.19Å
400A86.1Confident84.5Confident43 Ų4352 Ų5236%0.35530%0.3SS..Hα-helixtrans-61.9-46.4177.800000112.4E396 Y397 K398 E404E396-A400 WeakPolarHBondContact O-CB 3.3Å; E396-A400 PolarHBondContact O-N 3.02Å; Y397-A400 PolarHBondContact O-N 2.9Å; K398-A400 VanDerWaalsContact C-N 3.35Å; K398-A400 PolarHBondContact O-N 3.37Å; A400-E404 PolarHBondContact O-N 3.12Å; A400-E404 VanDerWaalsContact O-N 3.15Å
401L86.3Confident84.6Confident0 Ų048.8 Ų48.80%028%0.281CS..Hα-helixtrans-69.4-39.6-179.3-66.2173.1000112.6Y397 K398 C405 L411 A416 L419 I420 I430 L434Y397-L401 WeakPolarHBondContact O-CB 3.32Å; Y397-L401 VanDerWaalsContact O-CG 3.22Å; Y397-L401 WeakPolarHBondContact O-CG 3.22Å; Y397-L401 PolarHBondContact O-N 3.04Å; K398-L401 PolarHBondContact O-N 3.22Å; L401-C405 WeakPolarHBondContact O-CB 3.43Å; L401-C405 PolarHBondContact O-N 2.99Å; L401-L411 HydrophobicContact CB-CD2 4.09Å; L401-L411 HydrophobicContact CD2-CD2 3.66Å; L401-L411 HydrophobicContact CG-CD2 4.45Å; L401-A416 HydrophobicContact CD2-CB 3.64Å; L401-L419 HydrophobicContact CD2-CD1 4.37Å; L401-I420 HydrophobicContact CD1-CD1 4.41Å; L401-I420 HydrophobicContact CD1-CG2 4.49Å; L401-I420 HydrophobicContact CD2-CG2 4.1Å; L401-I420 HydrophobicContact CG-CG2 4.08Å; L401-I430 HydrophobicContact CD1-CG2 4.03Å; L401-L434 HydrophobicContact CB-CD1 4.15Å; L401-L434 HydrophobicContact CD1-CD1 3.76Å
402V87.6Confident84.8Confident32 Ų3256 Ų5619%0.19431%0.308CS..Hα-helixtrans-68.9-42.9178172.20000111.2K398 E404 C405 N406 I440K398-V402 HydrophobicContact CG-CG2 4.33Å; K398-V402 WeakPolarHBondContact O-CB 3.44Å; K398-V402 VanDerWaalsContact O-CG2 3.25Å; K398-V402 WeakPolarHBondContact O-CG2 3.44Å; K398-V402 PolarHBondContact O-N 3.42Å; V402-E404 VanDerWaalsContact C-N 3.32Å; V402-E404 PolarHBondContact O-N 3.01Å; V402-C405 PolarHBondContact O-N 3.4Å; V402-N406 VanDerWaalsContact O-CG 3.32Å; V402-N406 PolarHBondContact O-N 3.29Å; V402-I440 HydrophobicContact CG2-CG2 4.01Å
403N87.9Confident85.1Confident89 Ų8956.4 Ų56.448%0.47630%0.304SS..Hα-helixtrans-62.6-41178.4-165.812000111.3A399 N406 K407A399-N403 WeakPolarHBondContact O-CB 2.98Å; A399-N403 PolarHBondContact O-N 3.19Å; N403-N406 PolarHBondContact O-N 3.11Å; N403-K407 WeakPolarHBondContact O-CG 3.46Å; N403-K407 PolarHBondContact O-N 3.29Å; N403-K407 VanDerWaalsContact O-N 3.12Å
404E85.3Confident85.1Confident40 Ų4058.7 Ų58.719%0.18732%0.323CS..Hα-helixtrans-69.8-37.4177.2-161.561.9-156.300112.6A400 V402 N406 K407 Q408 L411 L419A400-E404 PolarHBondContact O-N 3.12Å; A400-E404 VanDerWaalsContact O-N 3.15Å; V402-E404 VanDerWaalsContact C-N 3.32Å; V402-E404 PolarHBondContact O-N 3.01Å; E404-N406 VanDerWaalsContact C-N 3.34Å; E404-N406 PolarHBondContact O-N 3.09Å; E404-K407 PolarHBondContact O-N 3.27Å; E404-Q408 PolarHBondContact O-N 3.01Å; E404-Q408 VanDerWaalsContact O-N 3.07Å; E404-Q408 PolarHBondContact OE1-NE2 3.46Å; E404-L411 HydrophobicContact CB-CD1 4.3Å; E404-L411 HydrophobicContact CG-CD1 4.11Å; E404-L419 HydrophobicContact CB-CD1 3.94Å; E404-L419 HydrophobicContact CG-CD1 3.75Å; E404-L419 HydrophobicContact CG-CD2 4.38Å
405C86.6Confident84.9Confident4 Ų461.8 Ų61.83%0.02734%0.337CS..Hα-helixtrans-61.7-42.1173.7-169.80000112L401 V402 K407 Q408 G409 G410 L411 I440 T441L401-C405 WeakPolarHBondContact O-CB 3.43Å; L401-C405 PolarHBondContact O-N 2.99Å; V402-C405 PolarHBondContact O-N 3.4Å; C405-K407 VanDerWaalsContact C-N 3.32Å; C405-K407 PolarHBondContact O-N 3.31Å; C405-Q408 PolarHBondContact O-N 2.99Å; C405-G409 WeakPolarHBondContact O-CA 3.33Å; C405-G409 PolarHBondContact O-N 2.96Å; C405-G410 PolarHBondContact O-N 2.92Å; C405-L411 HydrophobicContact CB-CB 4.18Å; C405-I440 HydrophobicContact CB-CB 4.09Å; C405-I440 HydrophobicContact CB-CG2 3.82Å; C405-T441 PolarHBondContact SG-N 3.27Å; C405-T441 PolarHBondContact SG-OG1 3.47Å
406N86.1Confident84.9Confident123 Ų12359.5 Ų59.566%0.65833%0.325SS*.Hα-helixtrans-66.2-34.1177.7-72.7-14.7000112.3V402 N403 E404V402-N406 VanDerWaalsContact O-CG 3.32Å; V402-N406 PolarHBondContact O-N 3.29Å; N403-N406 PolarHBondContact O-N 3.11Å; E404-N406 VanDerWaalsContact C-N 3.34Å; E404-N406 PolarHBondContact O-N 3.09Å
407K84.2Confident84.9Confident139 Ų13956.9 Ų56.960%0.60431%0.31SS*.Hα-helixtrans-70.3-38.9176.2-72.7174.2-173.6175.60113N403 E404 C405N403-K407 WeakPolarHBondContact O-CG 3.46Å; N403-K407 PolarHBondContact O-N 3.29Å; N403-K407 VanDerWaalsContact O-N 3.12Å; E404-K407 PolarHBondContact O-N 3.27Å; C405-K407 VanDerWaalsContact C-N 3.32Å; C405-K407 PolarHBondContact O-N 3.31Å
408Q79.7Confident84.7Confident104 Ų10457.4 Ų57.449%0.48633%0.326SS..Hα-helixtrans-101.8-3.7-172.5-60.7-165.514.500114.3E404 C405 G410E404-Q408 PolarHBondContact O-N 3.01Å; E404-Q408 VanDerWaalsContact O-N 3.07Å; E404-Q408 PolarHBondContact OE1-NE2 3.46Å; C405-Q408 PolarHBondContact O-N 2.99Å; Q408-G410 PolarHBondContact O-N 2.75Å
409G77.3Confident84.5Confident65 Ų6559.3 Ų59.367%0.6734%0.337SS*.SBendtrans74.51-176.300000114.5C405 T441C405-G409 WeakPolarHBondContact O-CA 3.33Å; C405-G409 PolarHBondContact O-N 2.96Å; G409-T441 PolarHBondContact O-OG1 3.29Å; G409-T441 VanDerWaalsContact O-OG1 3.11Å
410G82.1Confident84.3Confident2 Ų257 Ų572%0.02132%0.316CS..SBendtrans171.9163.2176.200000110.7C405 Q408 T441C405-G410 PolarHBondContact O-N 2.92Å; Q408-G410 PolarHBondContact O-N 2.75Å; G410-T441 CarbonylContact C-O 3.48Å; G410-T441 VanDerWaalsContact CA-O 3.28Å; G410-T441 WeakPolarHBondContact CA-O 3.4Å; G410-T441 WeakPolarHBondContact CA-OG1 3.46Å
411L84.8Confident84.1Confident0 Ų063.8 Ų63.80%034%0.338CS..BIsolated β-bridgetrans-129.3133.5-175.8-170.867.5000110.5L401 E404 C405 Q415 A416 L419 Y431 I440 T441 A443L401-L411 HydrophobicContact CB-CD2 4.09Å; L401-L411 HydrophobicContact CD2-CD2 3.66Å; L401-L411 HydrophobicContact CG-CD2 4.45Å; E404-L411 HydrophobicContact CB-CD1 4.3Å; E404-L411 HydrophobicContact CG-CD1 4.11Å; C405-L411 HydrophobicContact CB-CB 4.18Å; L411-Q415 HydrophobicContact CD1-CB 3.93Å; L411-A416 HydrophobicContact CD2-CB 4.08Å; L411-A416 HydrophobicContact CG-CB 4.47Å; L411-L419 HydrophobicContact CD1-CD1 4.01Å; L411-Y431 HydrophobicContact CB-CE2 4.44Å; L411-Y431 HydrophobicContact CD2-CD2 4.44Å; L411-Y431 HydrophobicContact CD2-CE2 4.32Å; L411-Y431 HydrophobicContact CG-CE2 4.3Å; L411-Y431 PolarHBondContact O-OH 3.48Å; L411-I440 HydrophobicContact CD2-CD1 4.42Å; L411-T441 PolarHBondContact N-O 3.41Å; L411-A443 PolarHBondContact O-N 3.3Å
412R86.7Confident84Confident151 Ų15165.7 Ų65.757%0.5735%0.347SS*.  trans-92147.5171.2-65.4-176.9176.41692.7111.1A414 Q415 A416 A443R412-A414 PolarHBondContact O-N 3.39Å; R412-A414 VanDerWaalsContact O-N 3.12Å; R412-Q415 HydrophobicContact CB-CG 4.37Å; R412-Q415 WeakPolarHBondContact O-CB 3.39Å; R412-Q415 PolarHBondContact O-N 3.32Å; R412-A416 PolarHBondContact O-N 3.49Å; R412-A443 HydrophobicContact CG-CB 4.07Å
413L85.1Confident83.9Confident32 Ų3268.2 Ų68.217%0.16836%0.36CS..Hα-helixtrans-56.4-32.4178.2-17864000113.5R417 R428 Y431L413-R417 WeakPolarHBondContact O-CG 3.3Å; L413-R417 PolarHBondContact O-N 3.42Å; L413-R417 VanDerWaalsContact O-N 3.09Å; L413-R428 HydrophobicContact CD1-CB 4.39Å; L413-R428 HydrophobicContact CD2-CG 4.35Å; L413-Y431 HydrophobicContact CB-CD1 4.35Å; L413-Y431 HydrophobicContact CB-CE1 4.01Å; L413-Y431 HydrophobicContact CD1-CD1 3.68Å; L413-Y431 HydrophobicContact CD1-CD2 4.32Å; L413-Y431 HydrophobicContact CD1-CE1 4.22Å; L413-Y431 HydrophobicContact CD1-CG 3.72Å; L413-Y431 PolarHBondContact N-OH 3.47Å
414A83.3Confident83.6Confident73 Ų7367.5 Ų67.560%0.60336%0.358SS*.Hα-helixtrans-67-39.4175.700000112.4R412 R417 A418R412-A414 PolarHBondContact O-N 3.39Å; R412-A414 VanDerWaalsContact O-N 3.12Å; A414-R417 PolarHBondContact O-N 3.34Å; A414-A418 PolarHBondContact O-N 3.26Å
415Q82.6Confident83.4Confident66 Ų6670.6 Ų70.631%0.30838%0.376SS..Hα-helixtrans-69.1-42.3175.5-65.5168-41.100110.5L411 R412 R417 A418 L419L411-Q415 HydrophobicContact CD1-CB 3.93Å; R412-Q415 HydrophobicContact CB-CG 4.37Å; R412-Q415 WeakPolarHBondContact O-CB 3.39Å; R412-Q415 PolarHBondContact O-N 3.32Å; Q415-R417 VanDerWaalsContact C-N 3.28Å; Q415-R417 PolarHBondContact O-N 2.94Å; Q415-A418 PolarHBondContact O-N 2.93Å; Q415-A418 VanDerWaalsContact O-N 3.1Å; Q415-L419 WeakPolarHBondContact O-CD1 3.11Å; Q415-L419 VanDerWaalsContact O-CG 3.3Å; Q415-L419 WeakPolarHBondContact O-CG 3.42Å; Q415-L419 PolarHBondContact O-N 3.17Å
416A83.5Confident83.3Confident0 Ų073.8 Ų73.80%039%0.39CS..Hα-helixtrans-55.2-4317400000112.2L401 L411 R412 A418 L419 I420 T427 Y431L401-A416 HydrophobicContact CD2-CB 3.64Å; L411-A416 HydrophobicContact CD2-CB 4.08Å; L411-A416 HydrophobicContact CG-CB 4.47Å; R412-A416 PolarHBondContact O-N 3.49Å; A416-A418 PolarHBondContact O-N 3.21Å; A416-L419 PolarHBondContact O-N 3.45Å; A416-I420 WeakPolarHBondContact O-CG1 3.2Å; A416-I420 PolarHBondContact O-N 2.64Å; A416-T427 HydrophobicContact CB-CG2 4.37Å; A416-Y431 HydrophobicContact CB-CD2 3.75Å; A416-Y431 HydrophobicContact CB-CE2 4.26Å
417R85.9Confident83.2Confident80 Ų8067.9 Ų67.930%0.30236%0.358SS..Hα-helixtrans-63.5-38.9175.9-73.1168.8-179.7168.2-2.2113.5L413 A414 Q415 L419 K421 T427L413-R417 WeakPolarHBondContact O-CG 3.3Å; L413-R417 PolarHBondContact O-N 3.42Å; L413-R417 VanDerWaalsContact O-N 3.09Å; A414-R417 PolarHBondContact O-N 3.34Å; Q415-R417 VanDerWaalsContact C-N 3.28Å; Q415-R417 PolarHBondContact O-N 2.94Å; R417-L419 VanDerWaalsContact C-N 3.33Å; R417-K421 PolarHBondContact O-N 2.95Å; R417-T427 HydrophobicContact CB-CG2 4.46Å; R417-T427 HydrophobicContact CG-CG2 3.75Å
418A83.4Confident83.3Confident67 Ų6766.8 Ų66.855%0.55435%0.35SS*.Hα-helixtrans-68.9-32.4177.400000112.5A414 Q415 A416 K421A414-A418 PolarHBondContact O-N 3.26Å; Q415-A418 PolarHBondContact O-N 2.93Å; Q415-A418 VanDerWaalsContact O-N 3.1Å; A416-A418 PolarHBondContact O-N 3.21Å; A418-K421 WeakPolarHBondContact O-CG 3.49Å
419L82.5Confident83.6Confident75 Ų7567.4 Ų67.439%0.39335%0.351SS..Hα-helixtrans-74.7-50.5-175.9-73.7158.6000113.5L401 E404 L411 Q415 A416 R417L401-L419 HydrophobicContact CD2-CD1 4.37Å; E404-L419 HydrophobicContact CB-CD1 3.94Å; E404-L419 HydrophobicContact CG-CD1 3.75Å; E404-L419 HydrophobicContact CG-CD2 4.38Å; L411-L419 HydrophobicContact CD1-CD1 4.01Å; Q415-L419 WeakPolarHBondContact O-CD1 3.11Å; Q415-L419 VanDerWaalsContact O-CG 3.3Å; Q415-L419 WeakPolarHBondContact O-CG 3.42Å; Q415-L419 PolarHBondContact O-N 3.17Å; A416-L419 PolarHBondContact O-N 3.45Å; R417-L419 VanDerWaalsContact C-N 3.33Å
420I83.4Confident84Confident11 Ų1164.3 Ų64.36%0.05632%0.319CS..Hα-helixtrans-95.8-10.4-171.764.5171.4000114.1Y397 L401 A416 I422 T427Y397-I420 HydrophobicContact CD1-CB 3.68Å; Y397-I420 HydrophobicContact CD1-CG2 3.68Å; Y397-I420 HydrophobicContact CE1-CB 4.17Å; Y397-I420 HydrophobicContact CG-CB 4.17Å; Y397-I420 HydrophobicContact CG-CD1 4.47Å; Y397-I420 HydrophobicContact CG-CG2 4.07Å; L401-I420 HydrophobicContact CD1-CD1 4.41Å; L401-I420 HydrophobicContact CD1-CG2 4.49Å; L401-I420 HydrophobicContact CD2-CG2 4.1Å; L401-I420 HydrophobicContact CG-CG2 4.08Å; A416-I420 WeakPolarHBondContact O-CG1 3.2Å; A416-I420 PolarHBondContact O-N 2.64Å; I420-I422 HydrophobicContact CD1-CD1 3.66Å; I420-I422 HydrophobicContact CD1-CG1 3.74Å; I420-I422 HydrophobicContact CG1-CD1 4.4Å; I420-I422 HydrophobicContact CG1-CG1 4Å; I420-I422 WeakPolarHBondContact O-CG2 3.48Å; I420-I422 PolarHBondContact O-N 2.8Å; I420-T427 HydrophobicContact CD1-CG2 3.71Å; I420-T427 HydrophobicContact CG1-CG2 4Å
421K81.5Confident84.2Confident187 Ų18764.5 Ų64.581%0.81332%0.32SS*.  trans43.735.8174.7-62.2-174.5179.1177.70115.5R417 A418R417-K421 PolarHBondContact O-N 2.95Å; A418-K421 WeakPolarHBondContact O-CG 3.49Å
422I85.1Confident84.3Confident39 Ų3967.8 Ų67.820%0.234%0.337CS..SBendtrans-104.2176.4172.568.9177.3000111.4Y397 I420 V424 K426 T427 I430Y397-I422 HydrophobicContact CD2-CD1 4.24Å; Y397-I422 HydrophobicContact CE1-CG2 4.17Å; Y397-I422 HydrophobicContact CE2-CD1 4.19Å; Y397-I422 HydrophobicContact CE2-CG2 3.86Å; Y397-I422 WeakPolarHBondContact OH-CG2 3.45Å; I420-I422 HydrophobicContact CD1-CD1 3.66Å; I420-I422 HydrophobicContact CD1-CG1 3.74Å; I420-I422 HydrophobicContact CG1-CD1 4.4Å; I420-I422 HydrophobicContact CG1-CG1 4Å; I420-I422 WeakPolarHBondContact O-CG2 3.48Å; I420-I422 PolarHBondContact O-N 2.8Å; I422-V424 PolarHBondContact O-N 3.35Å; I422-K426 HydrophobicContact CD1-CB 3.95Å; I422-K426 HydrophobicContact CG1-CB 4.42Å; I422-T427 WeakPolarHBondContact CG1-OG1 3.45Å; I422-T427 PolarHBondContact O-OG1 2.92Å; I422-I430 HydrophobicContact CD1-CD1 3.72Å
423D85.2Confident84.3Confident85 Ų8561.4 Ų61.446%0.45531%0.313SS..  trans-44134.5174.9175.8-93.1000112.7N425 K426 T427D423-N425 PolarHBondContact O-N 3.29Å; D423-N425 WeakPolarHBondContact OD1-CA 3.45Å; D423-N425 VanDerWaalsContact OD1-CB 3.26Å; D423-N425 WeakPolarHBondContact OD1-CB 3.39Å; D423-N425 PolarHBondContact OD1-N 3.46Å; D423-K426 HydrophobicContact CB-CB 4.21Å; D423-K426 HydrophobicContact CB-CD 4.24Å; D423-K426 HydrophobicContact CB-CG 3.97Å; D423-K426 PolarHBondContact O-N 3.44Å; D423-K426 VanDerWaalsContact O-N 3.15Å; D423-K426 PolarHBondContact OD1-N 3.15Å; D423-T427 PolarHBondContact O-N 2.92Å; D423-T427 PolarHBondContact O-OG1 3.5Å
424V81.1Confident84.3Confident74 Ų7459.9 Ų59.945%0.44831%0.305SS..Hα-helixtrans-62.2-32.4-171.3-176.80000111.8I422 R428I422-V424 PolarHBondContact O-N 3.35Å; V424-R428 WeakPolarHBondContact O-CB 3.33Å; V424-R428 PolarHBondContact O-N 3.49Å
425N81.7Confident84.5Confident106 Ų10658.9 Ų58.957%0.56729%0.29SS*.Hα-helixtrans-79.1-38.3178.8-59.7-49.3000111.4D423 R428 K429D423-N425 PolarHBondContact O-N 3.29Å; D423-N425 WeakPolarHBondContact OD1-CA 3.45Å; D423-N425 VanDerWaalsContact OD1-CB 3.26Å; D423-N425 WeakPolarHBondContact OD1-CB 3.39Å; D423-N425 PolarHBondContact OD1-N 3.46Å; N425-R428 PolarHBondContact O-N 2.81Å; N425-K429 WeakPolarHBondContact O-CG 3.41Å; N425-K429 PolarHBondContact O-N 2.99Å; N425-K429 VanDerWaalsContact O-N 3.08Å
426K84.3Confident84.7Confident70 Ų7064.6 Ų64.630%0.30431%0.308SS..Hα-helixtrans-63.3-45.5172.7-63.5-166.7178.7-167.20111.5V387 R388 I422 D423 R428 K429 I430V387-K426 HydrophobicContact CG1-CB 3.72Å; V387-K426 HydrophobicContact CG1-CD 3.98Å; V387-K426 HydrophobicContact CG1-CG 3.67Å; V387-K426 WeakPolarHBondContact O-CE 3.25Å; V387-K426 PolarHBondContact O-NZ 3.38Å; R388-K426 PolarHBondContact O-NZ 2.99Å; I422-K426 HydrophobicContact CD1-CB 3.95Å; I422-K426 HydrophobicContact CG1-CB 4.42Å; D423-K426 HydrophobicContact CB-CB 4.21Å; D423-K426 HydrophobicContact CB-CD 4.24Å; D423-K426 HydrophobicContact CB-CG 3.97Å; D423-K426 PolarHBondContact O-N 3.44Å; D423-K426 VanDerWaalsContact O-N 3.15Å; D423-K426 PolarHBondContact OD1-N 3.15Å; K426-R428 VanDerWaalsContact C-N 3.32Å; K426-R428 PolarHBondContact O-N 3.43Å; K426-K429 PolarHBondContact O-N 3.5Å; K426-I430 WeakPolarHBondContact O-CG1 3.33Å; K426-I430 PolarHBondContact O-N 3.26Å
427T85Confident84.7Confident0 Ų068 Ų680%032%0.324CS..Hα-helixtrans-57.6-45.5176.5-56.70000111.6A416 R417 I420 I422 D423 I430 Y431A416-T427 HydrophobicContact CB-CG2 4.37Å; R417-T427 HydrophobicContact CB-CG2 4.46Å; R417-T427 HydrophobicContact CG-CG2 3.75Å; I420-T427 HydrophobicContact CD1-CG2 3.71Å; I420-T427 HydrophobicContact CG1-CG2 4Å; I422-T427 WeakPolarHBondContact CG1-OG1 3.45Å; I422-T427 PolarHBondContact O-OG1 2.92Å; D423-T427 PolarHBondContact O-N 2.92Å; D423-T427 PolarHBondContact O-OG1 3.5Å; T427-I430 PolarHBondContact O-N 3.35Å; T427-Y431 VanDerWaalsContact O-CB 3.25Å; T427-Y431 WeakPolarHBondContact O-CB 3.39Å; T427-Y431 PolarHBondContact O-N 3.46Å
428R85.5Confident84.5Confident116 Ų11667 Ų6744%0.43834%0.339SS..Hα-helixtrans-60.6-46.3177.2-174.7-173-70.9-104.17.7111.6L413 V424 N425 K426 I430 Y431 D432L413-R428 HydrophobicContact CD1-CB 4.39Å; L413-R428 HydrophobicContact CD2-CG 4.35Å; V424-R428 WeakPolarHBondContact O-CB 3.33Å; V424-R428 PolarHBondContact O-N 3.49Å; N425-R428 PolarHBondContact O-N 2.81Å; K426-R428 VanDerWaalsContact C-N 3.32Å; K426-R428 PolarHBondContact O-N 3.43Å; R428-I430 PolarHBondContact O-N 2.89Å; R428-Y431 PolarHBondContact O-N 3.43Å; R428-D432 WeakPolarHBondContact CG-OD2 3.45Å; R428-D432 WeakPolarHBondContact O-CB 3.4Å; R428-D432 PolarHBondContact O-N 2.96Å
429K86.3Confident84.3Confident116 Ų11668 Ų6850%0.50433%0.329SS..Hα-helixtrans-63.2-39.1179.4-72.8-177.1179.2-172.70113.1V387 N425 K426 F433V387-K429 HydrophobicContact CG2-CB 3.94Å; V387-K429 HydrophobicContact CG2-CD 3.85Å; N425-K429 WeakPolarHBondContact O-CG 3.41Å; N425-K429 PolarHBondContact O-N 2.99Å; N425-K429 VanDerWaalsContact O-N 3.08Å; K426-K429 PolarHBondContact O-N 3.5Å; K429-F433 WeakPolarHBondContact O-CB 3.25Å; K429-F433 PolarHBondContact O-N 3.07Å; K429-F433 VanDerWaalsContact O-N 3.11Å
430I85.5Confident84.4Confident0 Ų064.7 Ų64.70%031%0.312CS..Hα-helixtrans-67.2-46.6175.8-63.9165.3000110.2L389 Y394 L401 I422 K426 T427 R428 F433 L434L389-I430 HydrophobicContact CD2-CD1 3.72Å; Y394-I430 HydrophobicContact CE2-CG2 4.3Å; L401-I430 HydrophobicContact CD1-CG2 4.03Å; I422-I430 HydrophobicContact CD1-CD1 3.72Å; K426-I430 WeakPolarHBondContact O-CG1 3.33Å; K426-I430 PolarHBondContact O-N 3.26Å; T427-I430 PolarHBondContact O-N 3.35Å; R428-I430 PolarHBondContact O-N 2.89Å; I430-F433 PolarHBondContact O-N 3.15Å; I430-L434 HydrophobicContact CG2-CD1 3.93Å; I430-L434 HydrophobicContact CG2-CG 4.36Å; I430-L434 WeakPolarHBondContact O-CG 3.34Å; I430-L434 PolarHBondContact O-N 3.01Å
431Y86.3Confident84.4Confident7 Ų768.1 Ų68.13%0.02733%0.333CS..Hα-helixtrans-60.7-47.1178.7177.2-91000112.2L411 L413 A416 T427 R428 F433 L434 I435 I440L411-Y431 HydrophobicContact CB-CE2 4.44Å; L411-Y431 HydrophobicContact CD2-CD2 4.44Å; L411-Y431 HydrophobicContact CD2-CE2 4.32Å; L411-Y431 HydrophobicContact CG-CE2 4.3Å; L411-Y431 PolarHBondContact O-OH 3.48Å; L413-Y431 HydrophobicContact CB-CD1 4.35Å; L413-Y431 HydrophobicContact CB-CE1 4.01Å; L413-Y431 HydrophobicContact CD1-CD1 3.68Å; L413-Y431 HydrophobicContact CD1-CD2 4.32Å; L413-Y431 HydrophobicContact CD1-CE1 4.22Å; L413-Y431 HydrophobicContact CD1-CG 3.72Å; L413-Y431 PolarHBondContact N-OH 3.47Å; A416-Y431 HydrophobicContact CB-CD2 3.75Å; A416-Y431 HydrophobicContact CB-CE2 4.26Å; T427-Y431 VanDerWaalsContact O-CB 3.25Å; T427-Y431 WeakPolarHBondContact O-CB 3.39Å; T427-Y431 PolarHBondContact O-N 3.46Å; R428-Y431 PolarHBondContact O-N 3.43Å; Y431-F433 VanDerWaalsContact C-N 3.3Å; Y431-F433 PolarHBondContact O-N 3.43Å; Y431-L434 PolarHBondContact O-N 2.9Å; Y431-I435 HydrophobicContact CD1-CD1 3.75Å; Y431-I435 HydrophobicContact CE1-CD1 3.17Å; Y431-I435 HydrophobicContact CE1-CG1 4.31Å; Y431-I435 HydrophobicContact CE2-CD1 4.26Å; Y431-I435 HydrophobicContact CG-CD1 4.49Å; Y431-I435 VanDerWaalsContact CZ-CD1 3.47Å; Y431-I435 WeakPolarHBondContact O-CG1 3.28Å; Y431-I435 PolarHBondContact O-N 2.73Å; Y431-I440 HydrophobicContact CD2-CD1 3.63Å; Y431-I440 HydrophobicContact CE2-CD1 3.89Å; Y431-I440 HydrophobicContact CG-CD1 4.28Å
432D86.9Confident84.3Confident68 Ų6867 Ų6736%0.36433%0.329SS..Hα-helixtrans-64.8-35.1178.4-66.5-20.4000111.8R428 R436R428-D432 WeakPolarHBondContact CG-OD2 3.45Å; R428-D432 WeakPolarHBondContact O-CB 3.4Å; R428-D432 PolarHBondContact O-N 2.96Å; D432-R436 WeakPolarHBondContact O-CB 3.34Å; D432-R436 PolarHBondContact O-N 2.96Å; D432-R436 VanDerWaalsContact O-N 3.09Å
433F87.4Confident83.6Confident17 Ų1769.1 Ų69.18%0.07535%0.352CS..Hα-helixtrans-67-45.7174.1177-92000112K379 E380 L383 Y394 K429 I430 Y431 I435 R436 E437K379-F433 HydrophobicContact CB-CE2 4.15Å; K379-F433 HydrophobicContact CB-CZ 4.05Å; E380-F433 HydrophobicContact CG-CE1 4.04Å; E380-F433 HydrophobicContact CG-CZ 4.04Å; L383-F433 HydrophobicContact CD1-CB 4.09Å; L383-F433 HydrophobicContact CD1-CD2 4.2Å; L383-F433 HydrophobicContact CD1-CG 4.2Å; L383-F433 HydrophobicContact CD2-CB 3.91Å; L383-F433 HydrophobicContact CD2-CD1 3.65Å; L383-F433 HydrophobicContact CD2-CD2 4.17Å; L383-F433 HydrophobicContact CD2-CE1 4.17Å; L383-F433 HydrophobicContact CD2-CG 3.64Å; L383-F433 HydrophobicContact CG-CG 4.42Å; Y394-F433 WeakPolarHBondContact OH-CE1 3.2Å; K429-F433 WeakPolarHBondContact O-CB 3.25Å; K429-F433 PolarHBondContact O-N 3.07Å; K429-F433 VanDerWaalsContact O-N 3.11Å; I430-F433 PolarHBondContact O-N 3.15Å; Y431-F433 VanDerWaalsContact C-N 3.3Å; Y431-F433 PolarHBondContact O-N 3.43Å; F433-I435 VanDerWaalsContact C-N 3.32Å; F433-I435 PolarHBondContact O-N 3.43Å; F433-R436 PolarHBondContact O-N 3.12Å; F433-R436 VanDerWaalsContact O-N 3.15Å; F433-E437 HydrophobicContact CE1-CG 4.06Å; F433-E437 HydrophobicContact CE2-CG 4.1Å; F433-E437 HydrophobicContact CZ-CG 3.84Å; F433-E437 PolarHBondContact O-N 3.11Å
434L85Confident83.5Confident0 Ų068.4 Ų68.40%035%0.347CS..Hα-helixtrans-66.4-32.9179.7-68.8175.3000112.4K398 L401 I430 Y431 G438 Y439 I440K398-L434 HydrophobicContact CD-CD2 4.23Å; K398-L434 HydrophobicContact CG-CD2 3.92Å; L401-L434 HydrophobicContact CB-CD1 4.15Å; L401-L434 HydrophobicContact CD1-CD1 3.76Å; I430-L434 HydrophobicContact CG2-CD1 3.93Å; I430-L434 HydrophobicContact CG2-CG 4.36Å; I430-L434 WeakPolarHBondContact O-CG 3.34Å; I430-L434 PolarHBondContact O-N 3.01Å; Y431-L434 PolarHBondContact O-N 2.9Å; L434-G438 PolarHBondContact O-N 3.42Å; L434-Y439 HydrophobicContact CD2-CD2 3.87Å; L434-Y439 HydrophobicContact CD2-CG 4.25Å; L434-Y439 PolarHBondContact O-N 2.93Å; L434-I440 HydrophobicContact CB-CD1 3.68Å; L434-I440 HydrophobicContact CB-CG1 3.73Å; L434-I440 HydrophobicContact CB-CG2 4.42Å; L434-I440 HydrophobicContact CD1-CD1 4.44Å; L434-I440 PolarHBondContact O-N 3.48Å
435I86.2Confident83.6Confident53 Ų5368.1 Ų68.127%0.27234%0.341SS..Hα-helixtrans-65.8-46170.3-71.5175.1000110.6Y431 F433 E437 G438 I440 K442Y431-I435 HydrophobicContact CD1-CD1 3.75Å; Y431-I435 HydrophobicContact CE1-CD1 3.17Å; Y431-I435 HydrophobicContact CE1-CG1 4.31Å; Y431-I435 HydrophobicContact CE2-CD1 4.26Å; Y431-I435 HydrophobicContact CG-CD1 4.49Å; Y431-I435 VanDerWaalsContact CZ-CD1 3.47Å; Y431-I435 WeakPolarHBondContact O-CG1 3.28Å; Y431-I435 PolarHBondContact O-N 2.73Å; F433-I435 VanDerWaalsContact C-N 3.32Å; F433-I435 PolarHBondContact O-N 3.43Å; I435-E437 VanDerWaalsContact C-N 3.35Å; I435-E437 PolarHBondContact O-N 3.28Å; I435-G438 PolarHBondContact O-N 3.29Å; I435-G438 VanDerWaalsContact O-N 3.07Å; I435-I440 HydrophobicContact CG1-CD1 3.93Å; I435-I440 HydrophobicContact CG1-CG1 3.62Å; I435-K442 HydrophobicContact CD1-CB 4.07Å; I435-K442 HydrophobicContact CD1-CG 4.43Å
436R87.4Confident83.7Confident186 Ų18665.9 Ų65.970%0.70233%0.329SS*.Hα-helixtrans-63.3-39.7-176.6-172-176.8-61.2132.83.6112.6D432 F433 G438D432-R436 WeakPolarHBondContact O-CB 3.34Å; D432-R436 PolarHBondContact O-N 2.96Å; D432-R436 VanDerWaalsContact O-N 3.09Å; F433-R436 PolarHBondContact O-N 3.12Å; F433-R436 VanDerWaalsContact O-N 3.15Å; R436-G438 VanDerWaalsContact C-N 3.25Å; R436-G438 PolarHBondContact O-N 3.45Å
437E82.6Confident83.7Confident70 Ų7065.7 Ų65.733%0.32733%0.33SS..THydrogen-bonded Turntrans-841.8176.7-64.1-68.713300112.8K379 F433 I435 Y439K379-E437 WeakPolarHBondContact CD-OE1 3.38Å; K379-E437 VanDerWaalsContact NZ-CD 3.29Å; K379-E437 IonicContact NZ-OE1 3.14Å; K379-E437 PolarHBondContact NZ-OE1 2.96Å; K379-E437 IonicContact NZ-OE2 3.41Å; K379-E437 PolarHBondContact NZ-OE2 2.94Å; F433-E437 HydrophobicContact CE1-CG 4.06Å; F433-E437 HydrophobicContact CE2-CG 4.1Å; F433-E437 HydrophobicContact CZ-CG 3.84Å; F433-E437 PolarHBondContact O-N 3.11Å; I435-E437 VanDerWaalsContact C-N 3.35Å; I435-E437 PolarHBondContact O-N 3.28Å; E437-Y439 HydrophobicContact CB-CD2 3.65Å; E437-Y439 HydrophobicContact CB-CE2 3.62Å; E437-Y439 HydrophobicContact CG-CE2 4.46Å; E437-Y439 PolarHBondContact O-N 2.9Å
438G81.4Confident83.6Confident61 Ų6169.8 Ų69.863%0.62935%0.351SS*.THydrogen-bonded Turntrans77.314.3173.800000115.5L434 I435 R436L434-G438 PolarHBondContact O-N 3.42Å; I435-G438 PolarHBondContact O-N 3.29Å; I435-G438 VanDerWaalsContact O-N 3.07Å; R436-G438 VanDerWaalsContact C-N 3.25Å; R436-G438 PolarHBondContact O-N 3.45Å
439Y81.1Confident83.5Confident87 Ų8766.7 Ų66.734%0.34135%0.345SS..SBendtrans-76.8-24.5178.5-69-64.9000113.6L434 E437L434-Y439 HydrophobicContact CD2-CD2 3.87Å; L434-Y439 HydrophobicContact CD2-CG 4.25Å; L434-Y439 PolarHBondContact O-N 2.93Å; E437-Y439 HydrophobicContact CB-CD2 3.65Å; E437-Y439 HydrophobicContact CB-CE2 3.62Å; E437-Y439 HydrophobicContact CG-CE2 4.46Å; E437-Y439 PolarHBondContact O-N 2.9Å
440I84.4Confident83.3Confident5 Ų563.2 Ų63.23%0.02633%0.334CS..SBendtrans-135.3144.1175.964.4179.2000110.4V402 C405 L411 Y431 L434 I435V402-I440 HydrophobicContact CG2-CG2 4.01Å; C405-I440 HydrophobicContact CB-CB 4.09Å; C405-I440 HydrophobicContact CB-CG2 3.82Å; L411-I440 HydrophobicContact CD2-CD1 4.42Å; Y431-I440 HydrophobicContact CD2-CD1 3.63Å; Y431-I440 HydrophobicContact CE2-CD1 3.89Å; Y431-I440 HydrophobicContact CG-CD1 4.28Å; L434-I440 HydrophobicContact CB-CD1 3.68Å; L434-I440 HydrophobicContact CB-CG1 3.73Å; L434-I440 HydrophobicContact CB-CG2 4.42Å; L434-I440 HydrophobicContact CD1-CD1 4.44Å; L434-I440 PolarHBondContact O-N 3.48Å; I435-I440 HydrophobicContact CG1-CD1 3.93Å; I435-I440 HydrophobicContact CG1-CG1 3.62Å
441T82.6Confident83.1Confident83 Ų8368.1 Ų68.151%0.50936%0.36SS..  trans-95.7138.4174.245.30000110.1C405 G409 G410 L411 A443C405-T441 PolarHBondContact SG-N 3.27Å; C405-T441 PolarHBondContact SG-OG1 3.47Å; G409-T441 PolarHBondContact O-OG1 3.29Å; G409-T441 VanDerWaalsContact O-OG1 3.11Å; G410-T441 CarbonylContact C-O 3.48Å; G410-T441 VanDerWaalsContact CA-O 3.28Å; G410-T441 WeakPolarHBondContact CA-O 3.4Å; G410-T441 WeakPolarHBondContact CA-OG1 3.46Å; L411-T441 PolarHBondContact N-O 3.41Å; T441-A443 PolarHBondContact O-N 3.07Å
442K78.9Confident82.8Confident165 Ų16573.2 Ų73.272%0.71739%0.387SS*.BIsolated β-bridgetrans-78.3118.2176.8-173.1178.2177.7-173.90109.3I435I435-K442 HydrophobicContact CD1-CB 4.07Å; I435-K442 HydrophobicContact CD1-CG 4.43Å
443A70.1Confident82.5Confident83 Ų8373.6 Ų73.669%0.68639%0.389SS*.  trans-83.40174.400000114.1L411 R412 T441L411-A443 PolarHBondContact O-N 3.3Å; R412-A443 HydrophobicContact CG-CB 4.07Å; T441-A443 PolarHBondContact O-N 3.07Å

Retrieved 443 of 443 residues in 743.6 ms (Link to these results)