G4VAB3_SCHMA Loading...

Putative polycomb complex protein bmi-1

AlphaFold DB , UniProt , Accession G4VAB3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 353 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M41.7Very low78.2Confident240 Ų240132.1 Ų132.1100%1.18268%0.684SS**  01070-71.9-176.1172.600107.7R3M1-R3 PolarHBondContact O-N 3.31Å
2H60.1Low79.4Confident175 Ų175127.3 Ų127.381%0.8165%0.654SS**  trans-64.9123.2172.4-67109.1000108.2V4H2-V4 PolarHBondContact O-N 3.43Å
3R70.9Confident80.5Confident245 Ų245120.4 Ų120.493%0.92562%0.62SS**  trans-72.8107.6170.6-74.1-175.4179.3174.5-0.1106.9M1 S5M1-R3 PolarHBondContact O-N 3.31Å; R3-S5 PolarHBondContact O-N 3.47Å
4V74.8Confident81.4Confident130 Ų130118.4 Ų118.479%0.78862%0.618SS**  trans-73.6118.4170-176.90000107H2H2-V4 PolarHBondContact O-N 3.43Å
5S78.8Confident82.3Confident91 Ų91122.1 Ų122.164%0.63662%0.622SS**  trans-107.6117.5174.453.30000109.3R3 V7R3-S5 PolarHBondContact O-N 3.47Å; S5-V7 PolarHBondContact O-N 3.19Å
6D83.6Confident83.2Confident158 Ų158114.8 Ų114.885%0.84559%0.585SS**  trans-80.199.3172.8-66.8-41.9000109.2
7V87.3Confident84Confident67 Ų67110.3 Ų110.341%0.40657%0.565SS.*  trans-106.7125.8179.4-1740000109.4S5 V9 L11 F12S5-V7 PolarHBondContact O-N 3.19Å; V7-V9 PolarHBondContact O-N 3.33Å; V7-L11 HydrophobicContact CG1-CD1 3.86Å; V7-F12 HydrophobicContact CB-CE2 3.96Å; V7-F12 HydrophobicContact CB-CZ 4.18Å; V7-F12 HydrophobicContact CG1-CE2 3.5Å; V7-F12 VanDerWaalsContact CG1-CE2 3.5Å; V7-F12 HydrophobicContact CG1-CZ 3.62Å
8P90.6Very high84.8Confident75 Ų75104.2 Ų104.249%0.48753%0.533SS..  trans-59127.4178.4-25.734.2000112.6I10 L11P8-I10 HydrophobicContact CB-CG2 3.97Å; P8-I10 PolarHBondContact O-N 3Å; P8-I10 VanDerWaalsContact O-N 3.08Å; P8-L11 HydrophobicContact CB-CD1 4.47Å; P8-L11 HydrophobicContact CB-CG 4.41Å; P8-L11 HydrophobicContact CG-CD1 4.43Å; P8-L11 WeakPolarHBondContact O-CB 3.45Å; P8-L11 PolarHBondContact O-N 2.85Å
9V88.7Confident85.3Confident44 Ų44102.2 Ų102.227%0.26752%0.524SS..G310 helixtrans-54.5-32.6-179.9176.60000112.5V7 L11 F12 N13 I83V7-V9 PolarHBondContact O-N 3.33Å; V9-L11 PolarHBondContact O-N 3.46Å; V9-L11 VanDerWaalsContact O-N 3.12Å; V9-F12 PolarHBondContact O-N 3.36Å; V9-N13 PolarHBondContact O-N 3.06Å; V9-N13 PolarHBondContact O-OD1 3.48Å; V9-I83 HydrophobicContact CG1-CD1 3.43Å; V9-I83 VanDerWaalsContact CG1-CD1 3.43Å
10I91.1Very high86Confident121 Ų121100.1 Ų100.162%0.62151%0.514SS*.G310 helixtrans-57-29.3-179.6-165.4163.7000113.4P8 F12 N13P8-I10 HydrophobicContact CB-CG2 3.97Å; P8-I10 PolarHBondContact O-N 3Å; P8-I10 VanDerWaalsContact O-N 3.08Å; I10-F12 PolarHBondContact O-N 3.25Å; I10-N13 PolarHBondContact O-N 2.97Å
11L92.6Very high86.5Confident107 Ų10797.9 Ų97.956%0.5651%0.506SS*.G310 helixtrans-67.2-26177.7-63.2176.3000112.2V7 P8 V9V7-L11 HydrophobicContact CG1-CD1 3.86Å; P8-L11 HydrophobicContact CB-CD1 4.47Å; P8-L11 HydrophobicContact CB-CG 4.41Å; P8-L11 HydrophobicContact CG-CD1 4.43Å; P8-L11 WeakPolarHBondContact O-CB 3.45Å; P8-L11 PolarHBondContact O-N 2.85Å; V9-L11 PolarHBondContact O-N 3.46Å; V9-L11 VanDerWaalsContact O-N 3.12Å
12F92.3Very high89.1Confident74 Ų7495 Ų9533%0.32548%0.482SS..THydrogen-bonded Turntrans-93.6-15.5-179.7-57.1-71.1000113.4V7 V9 I10 P14 Y15 L16V7-F12 HydrophobicContact CB-CE2 3.96Å; V7-F12 HydrophobicContact CB-CZ 4.18Å; V7-F12 HydrophobicContact CG1-CE2 3.5Å; V7-F12 VanDerWaalsContact CG1-CE2 3.5Å; V7-F12 HydrophobicContact CG1-CZ 3.62Å; V9-F12 PolarHBondContact O-N 3.36Å; I10-F12 PolarHBondContact O-N 3.25Å; F12-P14 VanDerWaalsContact C-N 3.33Å; F12-Y15 PolarHBondContact O-N 3.48Å; F12-L16 HydrophobicContact CB-CD1 3.68Å; F12-L16 HydrophobicContact CB-CG 4.27Å; F12-L16 WeakPolarHBondContact O-CG 3.48Å; F12-L16 PolarHBondContact O-N 3.31Å
13N93.3Very high90.8Very high38 Ų3887.6 Ų87.620%0.20345%0.453CS..Hα-helixtrans-48.6-45-176.8-76.6-6.3000113.8V9 I10 Y15 L16 T17 Y24V9-N13 PolarHBondContact O-N 3.06Å; V9-N13 PolarHBondContact O-OD1 3.48Å; I10-N13 PolarHBondContact O-N 2.97Å; N13-Y15 PolarHBondContact O-N 3.18Å; N13-L16 PolarHBondContact O-N 2.79Å; N13-T17 HydrophobicContact CB-CG2 4.35Å; N13-T17 WeakPolarHBondContact O-CG2 3.38Å; N13-T17 PolarHBondContact O-N 3.22Å; N13-T17 PolarHBondContact O-OG1 3.19Å; N13-Y24 WeakPolarHBondContact OD1-CE1 3.33Å; N13-Y24 PolarHBondContact OD1-OH 2.8Å
14P93.5Very high92.1Very high92 Ų9278.6 Ų78.660%0.59742%0.42SS*.Hα-helixtrans-56.7-23.7178.9-26.136000114.8F12F12-P14 VanDerWaalsContact C-N 3.33Å
15Y94.6Very high93.2Very high174 Ų17472.5 Ų72.568%0.68238%0.383SS*.Hα-helixtrans-99.4-12.8-178.5-49.9-71.5000113.3F12 N13F12-Y15 PolarHBondContact O-N 3.48Å; N13-Y15 PolarHBondContact O-N 3.18Å
16L96.5Very high94.1Very high6 Ų669.8 Ų69.83%0.03136%0.361CS..Hα-helixtrans-116.4-6.3-173.1-56177.8000113.3F12 N13 Y24 L25 I78 V79 L82 I83F12-L16 HydrophobicContact CB-CD1 3.68Å; F12-L16 HydrophobicContact CB-CG 4.27Å; F12-L16 WeakPolarHBondContact O-CG 3.48Å; F12-L16 PolarHBondContact O-N 3.31Å; N13-L16 PolarHBondContact O-N 2.79Å; L16-Y24 HydrophobicContact CB-CD1 4.2Å; L16-Y24 HydrophobicContact CB-CE1 4.48Å; L16-Y24 WeakPolarHBondContact O-CA 3.37Å; L16-L25 WeakPolarHBondContact O-CG 3.35Å; L16-L25 PolarHBondContact O-N 2.73Å; L16-I78 HydrophobicContact CD2-CG2 4.19Å; L16-V79 HydrophobicContact CB-CG2 4.29Å; L16-V79 HydrophobicContact CD2-CG2 3.64Å; L16-L82 HydrophobicContact CD1-CB 4.18Å; L16-L82 HydrophobicContact CD1-CD1 3.97Å; L16-L82 HydrophobicContact CD2-CD1 4.41Å; L16-I83 HydrophobicContact CD1-CD1 3.71Å; L16-I83 HydrophobicContact CD1-CG1 4.2Å
17T97Very high94.7Very high38 Ų3864.1 Ų64.123%0.23333%0.331CS..BIsolated β-bridgetrans-100.9145.7-18058.90000112.8N13 G23 Y24N13-T17 HydrophobicContact CB-CG2 4.35Å; N13-T17 WeakPolarHBondContact O-CG2 3.38Å; N13-T17 PolarHBondContact O-N 3.22Å; N13-T17 PolarHBondContact O-OG1 3.19Å; T17-G23 CarbonylContact C-O 3.57Å; T17-G23 VanDerWaalsContact CA-O 3.27Å; T17-G23 WeakPolarHBondContact CA-O 3.48Å; T17-Y24 HydrophobicContact CG2-CD1 3.97Å; T17-Y24 HydrophobicContact CG2-CE1 4.07Å
18C98.2Very high95.1Very high0 Ų061.1 Ų61.10%031%0.313CS..  trans-82.7130.4175.5-177.70000111.7L20 R22 G23 L25 C39C18-L20 PolarHBondContact O-N 3.19Å; C18-L20 PolarHBondContact SG-N 3.34Å; C18-R22 WeakPolarHBondContact O-CA 3.37Å; C18-R22 PolarHBondContact O-N 2.84Å; C18-G23 PolarHBondContact N-O 3.28Å; C18-L25 HydrophobicContact CB-CD2 3.87Å; C18-C39 VanDerWaalsContact CB-SG 3.56Å; C18-C39 PolarHBondContact SG-N 3.19Å; C18-C39 VanDerWaalsContact SG-N 3.43Å
19N95.9Very high95.5Very high66 Ų6657.9 Ų57.935%0.35329%0.291SS..THydrogen-bonded Turntrans-69.6-13.9178.4-76.4-0.7000114.8R22 F38 V55N19-R22 VanDerWaalsContact O-CZ 3.22Å; N19-R22 PolarHBondContact O-NE 2.72Å; N19-F38 HydrophobicContact CB-CE1 4.19Å; N19-V55 HydrophobicContact CB-CG2 4.14Å; N19-V55 VanDerWaalsContact ND2-CG2 3.29Å; N19-V55 WeakPolarHBondContact ND2-CG2 3.32Å
20L97.6Very high95.9Very high61 Ų6156.4 Ų56.432%0.31928%0.283SS..THydrogen-bonded Turntrans-89.2-54.7178.9-67.7171.9000112C18 F38 C42 Y46 P54C18-L20 PolarHBondContact O-N 3.19Å; C18-L20 PolarHBondContact SG-N 3.34Å; L20-F38 HydrophobicContact CD1-CB 4.48Å; L20-F38 HydrophobicContact CD1-CD1 3.77Å; L20-F38 HydrophobicContact CD1-CE1 4.36Å; L20-F38 HydrophobicContact CD1-CG 4.28Å; L20-F38 HydrophobicContact CG-CD1 3.8Å; L20-F38 HydrophobicContact CG-CE1 4.17Å; L20-C42 HydrophobicContact CB-CB 3.83Å; L20-C42 HydrophobicContact CD1-CB 3.71Å; L20-C42 HydrophobicContact CG-CB 4.42Å; L20-Y46 HydrophobicContact CD2-CD2 4.05Å; L20-Y46 HydrophobicContact CD2-CG 4.43Å; L20-P54 HydrophobicContact CD1-CG 4.32Å; L20-P54 HydrophobicContact CD2-CB 3.91Å; L20-P54 HydrophobicContact CD2-CG 4.03Å; L20-P54 HydrophobicContact CG-CG 4.42Å
21C97.4Very high96.2Very high54 Ų5450.6 Ų50.637%0.36525%0.253SS..THydrogen-bonded Turntrans-93.1-9.6-178.868.20000114.7G23C21-G23 PolarHBondContact O-N 3.19Å; C21-G23 PolarHBondContact SG-N 2.85Å
22R95.9Very high96.3Very high178 Ų17848.9 Ų48.967%0.67225%0.247SC*.SBendtrans60.78-175.4-50.3-59.7-177.4178.5-1.4115.4C18 N19C18-R22 WeakPolarHBondContact O-CA 3.37Å; C18-R22 PolarHBondContact O-N 2.84Å; N19-R22 VanDerWaalsContact O-CZ 3.22Å; N19-R22 PolarHBondContact O-NE 2.72Å
23G96.6Very high96.4Very high20 Ų2051.7 Ų51.721%0.20626%0.261CS..SBendtrans-92179169.300000112.6T17 C18 C21T17-G23 CarbonylContact C-O 3.57Å; T17-G23 VanDerWaalsContact CA-O 3.27Å; T17-G23 WeakPolarHBondContact CA-O 3.48Å; C18-G23 PolarHBondContact N-O 3.28Å; C21-G23 PolarHBondContact O-N 3.19Å; C21-G23 PolarHBondContact SG-N 2.85Å
24Y97.6Very high96.6Very high56 Ų5651.2 Ų51.222%0.2226%0.26CS..BIsolated β-bridgetrans-64.7151.8170.5-68.6-62.2000111.8N13 L16 T17 I26 I83 L86N13-Y24 WeakPolarHBondContact OD1-CE1 3.33Å; N13-Y24 PolarHBondContact OD1-OH 2.8Å; L16-Y24 HydrophobicContact CB-CD1 4.2Å; L16-Y24 HydrophobicContact CB-CE1 4.48Å; L16-Y24 WeakPolarHBondContact O-CA 3.37Å; T17-Y24 HydrophobicContact CG2-CD1 3.97Å; T17-Y24 HydrophobicContact CG2-CE1 4.07Å; Y24-I26 PolarHBondContact O-N 2.76Å; Y24-I83 HydrophobicContact CD1-CD1 4.14Å; Y24-I83 HydrophobicContact CD1-CG1 3.98Å; Y24-I83 HydrophobicContact CD2-CG2 4Å; Y24-I83 HydrophobicContact CE1-CD1 3.58Å; Y24-I83 HydrophobicContact CE1-CG1 3.92Å; Y24-I83 HydrophobicContact CE2-CG2 3.74Å; Y24-I83 HydrophobicContact CG-CG1 4.34Å; Y24-L86 HydrophobicContact CD2-CD1 4.25Å; Y24-L86 HydrophobicContact CD2-CD2 4.39Å; Y24-L86 HydrophobicContact CG-CD2 4.15Å
25L98.1Very high96.7Very high2 Ų253.1 Ų53.11%0.0127%0.265CS..  trans-63.9122.4178.6-68.4165.1000111.3L16 C18 A28 L75 Q76 V79L16-L25 WeakPolarHBondContact O-CG 3.35Å; L16-L25 PolarHBondContact O-N 2.73Å; C18-L25 HydrophobicContact CB-CD2 3.87Å; L25-A28 HydrophobicContact CB-CB 4.28Å; L25-L75 HydrophobicContact CD1-CD1 4.49Å; L25-L75 HydrophobicContact CD1-CD2 3.72Å; L25-L75 HydrophobicContact CD1-CG 4.07Å; L25-Q76 PolarHBondContact O-NE2 3.43Å; L25-Q76 VanDerWaalsContact O-NE2 3.11Å; L25-Q76 PolarHBondContact O-OE1 3.05Å; L25-V79 HydrophobicContact CB-CG2 4.11Å; L25-V79 HydrophobicContact CD1-CG2 4.22Å; L25-V79 WeakPolarHBondContact O-CG1 3.04Å
26I97.1Very high96.9Very high35 Ų3547.7 Ų47.718%0.17925%0.246CC..SBendtrans-118127.1171.2-57.4-59.8000108.2Y24 C39 R40 Y80 L86 E90Y24-I26 PolarHBondContact O-N 2.76Å; I26-C39 PolarHBondContact N-SG 2.88Å; I26-C39 VanDerWaalsContact O-CA 3.23Å; I26-C39 WeakPolarHBondContact O-CA 3.32Å; I26-C39 VanDerWaalsContact O-CB 3.29Å; I26-C39 WeakPolarHBondContact O-CB 3.35Å; I26-R40 PolarHBondContact O-N 3.35Å; I26-Y80 HydrophobicContact CD1-CE1 4.19Å; I26-L86 HydrophobicContact CD1-CD1 4.2Å; I26-L86 HydrophobicContact CD1-CG 4.42Å; I26-E90 HydrophobicContact CD1-CB 4.3Å; I26-E90 HydrophobicContact CD1-CG 4.14Å; I26-E90 HydrophobicContact CG2-CG 4.05Å; I26-E90 WeakPolarHBondContact CG2-OE1 3.19Å
27D95.8Very high96.9Very high39 Ų3949 Ų4921%0.20926%0.255CS..SBendtrans47.461.2-168.4-63.2-38.5000111.5T29 R40 R94D27-T29 PolarHBondContact O-N 3.06Å; D27-T29 PolarHBondContact O-OG1 3.33Å; D27-R40 HydrophobicContact CB-CB 3.71Å; D27-R40 VanDerWaalsContact O-CB 3.26Å; D27-R40 WeakPolarHBondContact O-CB 3.39Å; D27-R40 PolarHBondContact O-N 2.93Å; D27-R94 VanDerWaalsContact CG-NH2 3.35Å; D27-R94 IonicContact OD1-NH1 3.06Å; D27-R94 IonicContact OD1-NH2 2.92Å; D27-R94 PolarHBondContact OD1-NH2 3.13Å; D27-R94 IonicContact OD2-CZ 3.45Å; D27-R94 IonicContact OD2-NH1 3.15Å; D27-R94 IonicContact OD2-NH2 3.88Å; D27-R94 PolarHBondContact OD2-NH2 2.9Å
28A97.4Very high97Very high3 Ų347.1 Ų47.13%0.02524%0.244CC..EExtended strand (participates in β ladder)trans-47.6128.2-177.500000110.7L25 F38 D72 L75 Q76L25-A28 HydrophobicContact CB-CB 4.28Å; A28-F38 WeakPolarHBondContact CA-O 3.35Å; A28-D72 HydrophobicContact CB-CB 4.34Å; A28-D72 PolarHBondContact O-N 2.87Å; A28-L75 HydrophobicContact CB-CB 4.26Å; A28-L75 HydrophobicContact CB-CD2 4.19Å; A28-L75 HydrophobicContact CB-CG 4.16Å; A28-Q76 HydrophobicContact CB-CB 4.06Å
29T98Very high97Very high7 Ų747.3 Ų47.34%0.04325%0.245CC..EExtended strand (participates in β ladder)trans-134122.5-176.9-62.10000108D27 F38 R40 I43 I69 R70D27-T29 PolarHBondContact O-N 3.06Å; D27-T29 PolarHBondContact O-OG1 3.33Å; T29-F38 PolarHBondContact N-O 2.93Å; T29-F38 PolarHBondContact O-N 3.28Å; T29-R40 WeakPolarHBondContact OG1-CA 3.46Å; T29-R40 WeakPolarHBondContact OG1-CB 3.36Å; T29-I43 HydrophobicContact CG2-CG2 3.81Å; T29-I69 HydrophobicContact CG2-CB 3.86Å; T29-I69 HydrophobicContact CG2-CD1 4.05Å; T29-I69 HydrophobicContact CG2-CG1 4.38Å; T29-R70 CarbonylContact C-O 3.55Å; T29-R70 WeakPolarHBondContact CA-O 3.46Å
30T97.7Very high97.1Very high13 Ų1349 Ų498%0.0825%0.246CC..EExtended strand (participates in β ladder)trans-110.5136.6-170.3-560000110L35 S37 I69 R70 D72T30-L35 HydrophobicContact CG2-CD2 4.37Å; T30-S37 PolarHBondContact OG1-OG 3.48Å; T30-I69 WeakPolarHBondContact O-CA 3.39Å; T30-R70 PolarHBondContact N-O 3.02Å; T30-R70 PolarHBondContact O-N 3.44Å; T30-D72 WeakPolarHBondContact OG1-CB 3.5Å; T30-D72 PolarHBondContact OG1-OD2 2.79Å
31I97.2Very high97.1Very high0 Ų047.8 Ų47.80%024%0.243CC..EExtended strand (participates in β ladder)trans-76.8125.2171.2-62173000108.3E33 C34 L35 H36 F38 I43 C53 L60 I69I31-E33 HydrophobicContact CG2-CB 4.43Å; I31-E33 PolarHBondContact O-N 3.19Å; I31-C34 VanDerWaalsContact CG2-SG 3.59Å; I31-L35 WeakPolarHBondContact O-CA 3.3Å; I31-L35 PolarHBondContact O-N 3.2Å; I31-H36 PolarHBondContact N-O 3.29Å; I31-F38 HydrophobicContact CD1-CD2 4.31Å; I31-F38 HydrophobicContact CD1-CE2 3.55Å; I31-F38 HydrophobicContact CD1-CZ 4.39Å; I31-F38 HydrophobicContact CG1-CD2 4.49Å; I31-F38 HydrophobicContact CG1-CE2 4.12Å; I31-I43 HydrophobicContact CD1-CD1 4.38Å; I31-C53 HydrophobicContact CD1-CB 4.12Å; I31-L60 HydrophobicContact CD1-CD1 3.93Å; I31-L60 HydrophobicContact CD1-CD2 4.11Å; I31-L60 HydrophobicContact CG1-CD1 4.31Å; I31-L60 HydrophobicContact CG2-CD1 4.33Å; I31-L60 HydrophobicContact CG2-CD2 3.4Å; I31-L60 VanDerWaalsContact CG2-CD2 3.4Å; I31-L60 HydrophobicContact CG2-CG 4.45Å; I31-I69 HydrophobicContact CG1-CG2 3.92Å
32V95.5Very high97.1Very high71 Ų7146.1 Ų46.143%0.4323%0.232SC..THydrogen-bonded Turntrans-65.8-39-174.9179.40000112.2A68 R70V32-A68 PolarHBondContact N-O 2.68Å; V32-R70 HydrophobicContact CG2-CB 4.38Å; V32-R70 HydrophobicContact CG2-CG 3.65Å
33E94.4Very high97.2Very high132 Ų13237.7 Ų37.762%0.61720%0.2SC*.THydrogen-bonded Turntrans-70.6-34.8-173.7-61.4-56.912800114.1I31I31-E33 HydrophobicContact CG2-CB 4.43Å; I31-E33 PolarHBondContact O-N 3.19Å
34C96.4Very high97.2Very high29 Ų2939.3 Ų39.320%0.19620%0.204CC..THydrogen-bonded Turntrans-125.71.1-174.563.20000114.5I31 H36 C53I31-C34 VanDerWaalsContact CG2-SG 3.59Å; C34-H36 PolarHBondContact O-N 2.88Å; C34-H36 PolarHBondContact SG-ND1 3.03Å; C34-H36 VanDerWaalsContact SG-ND1 3.36Å; C34-C53 VanDerWaalsContact SG-SG 3.6Å
35L96.5Very high97.1Very high131 Ų13139.7 Ų39.769%0.68621%0.212SC*.  trans55.420.5178.3-56.1179.5000115.2T30 I31T30-L35 HydrophobicContact CG2-CD2 4.37Å; I31-L35 WeakPolarHBondContact O-CA 3.3Å; I31-L35 PolarHBondContact O-N 3.2Å
36H97.6Very high97.1Very high61 Ų6142.2 Ų42.228%0.28222%0.222SC..  trans-77.9136.5169.7-68120.5000111I31 C34 F38 C53 C56I31-H36 PolarHBondContact N-O 3.29Å; C34-H36 PolarHBondContact O-N 2.88Å; C34-H36 PolarHBondContact SG-ND1 3.03Å; C34-H36 VanDerWaalsContact SG-ND1 3.36Å; H36-F38 HydrophobicContact CB-CE2 3.79Å; H36-F38 HydrophobicContact CB-CZ 3.98Å; H36-C53 PolarHBondContact ND1-SG 3.33Å; H36-C56 VanDerWaalsContact CE1-SG 3.53Å; H36-C56 PolarHBondContact ND1-SG 3.31Å
37S97.9Very high97Very high32 Ų3241.4 Ų41.422%0.22422%0.218CC..EExtended strand (participates in β ladder)trans-113.2142.4-172.6-57.60000112.2T30 L75T30-S37 PolarHBondContact OG1-OG 3.48Å; S37-L75 VanDerWaalsContact CB-CD2 3.45Å; S37-L75 VanDerWaalsContact OG-CD2 3.27Å; S37-L75 WeakPolarHBondContact OG-CD2 3.33Å
38F98.4Very high96.9Very high0 Ų046.6 Ų46.60%024%0.238CC..EExtended strand (participates in β ladder)trans-144167.4-178.2-53.5-89.1000110.7N19 L20 A28 T29 I31 H36 I43 P54 V55N19-F38 HydrophobicContact CB-CE1 4.19Å; L20-F38 HydrophobicContact CD1-CB 4.48Å; L20-F38 HydrophobicContact CD1-CD1 3.77Å; L20-F38 HydrophobicContact CD1-CE1 4.36Å; L20-F38 HydrophobicContact CD1-CG 4.28Å; L20-F38 HydrophobicContact CG-CD1 3.8Å; L20-F38 HydrophobicContact CG-CE1 4.17Å; A28-F38 WeakPolarHBondContact CA-O 3.35Å; T29-F38 PolarHBondContact N-O 2.93Å; T29-F38 PolarHBondContact O-N 3.28Å; I31-F38 HydrophobicContact CD1-CD2 4.31Å; I31-F38 HydrophobicContact CD1-CE2 3.55Å; I31-F38 HydrophobicContact CD1-CZ 4.39Å; I31-F38 HydrophobicContact CG1-CD2 4.49Å; I31-F38 HydrophobicContact CG1-CE2 4.12Å; H36-F38 HydrophobicContact CB-CE2 3.79Å; H36-F38 HydrophobicContact CB-CZ 3.98Å; F38-I43 HydrophobicContact CB-CB 3.85Å; F38-I43 HydrophobicContact CB-CG2 4.37Å; F38-I43 HydrophobicContact CD2-CB 4.33Å; F38-I43 HydrophobicContact CD2-CD1 3.89Å; F38-I43 HydrophobicContact CD2-CG1 4.15Å; F38-I43 HydrophobicContact CE2-CD1 4.18Å; F38-I43 HydrophobicContact CG-CB 4.25Å; F38-I43 HydrophobicContact CG-CD1 4.26Å; F38-P54 HydrophobicContact CE1-CB 3.95Å; F38-P54 HydrophobicContact CE1-CG 3.81Å; F38-P54 HydrophobicContact CE2-CG 4.49Å; F38-P54 HydrophobicContact CZ-CB 4.09Å; F38-P54 HydrophobicContact CZ-CG 3.76Å; F38-V55 HydrophobicContact CE1-CG2 3.98Å; F38-V55 HydrophobicContact CZ-CG2 3.8Å
39C98.4Very high96.7Very high4 Ų454 Ų543%0.02728%0.276CS..EExtended strand (participates in β ladder)trans-66.5142.3166.3-53.60000109.9C18 I26 S41 C42 I43C18-C39 VanDerWaalsContact CB-SG 3.56Å; C18-C39 PolarHBondContact SG-N 3.19Å; C18-C39 VanDerWaalsContact SG-N 3.43Å; I26-C39 PolarHBondContact N-SG 2.88Å; I26-C39 VanDerWaalsContact O-CA 3.23Å; I26-C39 WeakPolarHBondContact O-CA 3.32Å; I26-C39 VanDerWaalsContact O-CB 3.29Å; I26-C39 WeakPolarHBondContact O-CB 3.35Å; C39-S41 VanDerWaalsContact C-N 3.32Å; C39-S41 PolarHBondContact O-N 2.87Å; C39-C42 HydrophobicContact CB-CB 4.11Å; C39-C42 PolarHBondContact O-N 3.4Å; C39-C42 VanDerWaalsContact O-N 3.1Å; C39-I43 WeakPolarHBondContact O-CG2 3.46Å; C39-I43 PolarHBondContact O-N 2.96Å
40R97.5Very high96.6Very high100 Ų10056.7 Ų56.738%0.37729%0.291SS..Hα-helixtrans-51.7-49.7-179.7-176177.5178.3-75.8-1.9112.4I26 D27 T29 C42 I43 L44I26-R40 PolarHBondContact O-N 3.35Å; D27-R40 HydrophobicContact CB-CB 3.71Å; D27-R40 VanDerWaalsContact O-CB 3.26Å; D27-R40 WeakPolarHBondContact O-CB 3.39Å; D27-R40 PolarHBondContact O-N 2.93Å; T29-R40 WeakPolarHBondContact OG1-CA 3.46Å; T29-R40 WeakPolarHBondContact OG1-CB 3.36Å; R40-C42 PolarHBondContact O-N 2.86Å; R40-I43 WeakPolarHBondContact O-CG2 3.46Å; R40-L44 HydrophobicContact CG-CD1 3.74Å; R40-L44 HydrophobicContact CG-CG 4.4Å; R40-L44 WeakPolarHBondContact O-CB 3.46Å; R40-L44 WeakPolarHBondContact O-CG 3.2Å; R40-L44 PolarHBondContact O-N 3.43Å
41S96.7Very high96.4Very high37 Ų3758.7 Ų58.726%0.25930%0.303SS..Hα-helixtrans-63.3-41-179.655.60000112.3C39 T45C39-S41 VanDerWaalsContact C-N 3.32Å; C39-S41 PolarHBondContact O-N 2.87Å; S41-T45 WeakPolarHBondContact O-CB 3.41Å; S41-T45 PolarHBondContact O-N 3.02Å; S41-T45 VanDerWaalsContact O-N 3.08Å; S41-T45 PolarHBondContact O-OG1 2.92Å
42C98.2Very high96.4Very high19 Ų1960.8 Ų60.813%0.12832%0.316CS..Hα-helixtrans-64.8-49.6-179.4-620000111.9L20 C39 R40 T45 Y46L20-C42 HydrophobicContact CB-CB 3.83Å; L20-C42 HydrophobicContact CD1-CB 3.71Å; L20-C42 HydrophobicContact CG-CB 4.42Å; C39-C42 HydrophobicContact CB-CB 4.11Å; C39-C42 PolarHBondContact O-N 3.4Å; C39-C42 VanDerWaalsContact O-N 3.1Å; R40-C42 PolarHBondContact O-N 2.86Å; C42-T45 PolarHBondContact O-N 3.25Å; C42-Y46 WeakPolarHBondContact O-CB 3.37Å; C42-Y46 PolarHBondContact O-N 3.49Å
43I97.6Very high96.5Very high0 Ų057.5 Ų57.50%030%0.296CS..Hα-helixtrans-70-38.8-177.8-169.359.1000111.7T29 I31 F38 C39 R40 T45 Y46 L47 P54 I69T29-I43 HydrophobicContact CG2-CG2 3.81Å; I31-I43 HydrophobicContact CD1-CD1 4.38Å; F38-I43 HydrophobicContact CB-CB 3.85Å; F38-I43 HydrophobicContact CB-CG2 4.37Å; F38-I43 HydrophobicContact CD2-CB 4.33Å; F38-I43 HydrophobicContact CD2-CD1 3.89Å; F38-I43 HydrophobicContact CD2-CG1 4.15Å; F38-I43 HydrophobicContact CE2-CD1 4.18Å; F38-I43 HydrophobicContact CG-CB 4.25Å; F38-I43 HydrophobicContact CG-CD1 4.26Å; C39-I43 WeakPolarHBondContact O-CG2 3.46Å; C39-I43 PolarHBondContact O-N 2.96Å; R40-I43 WeakPolarHBondContact O-CG2 3.46Å; I43-T45 VanDerWaalsContact C-N 3.34Å; I43-T45 PolarHBondContact O-N 3.01Å; I43-Y46 HydrophobicContact CD1-CD1 4.28Å; I43-Y46 PolarHBondContact O-N 3.38Å; I43-L47 HydrophobicContact CD1-CD1 4.22Å; I43-L47 HydrophobicContact CD1-CD2 4.27Å; I43-L47 HydrophobicContact CD1-CG 4.01Å; I43-L47 HydrophobicContact CG1-CD1 3.9Å; I43-L47 HydrophobicContact CG1-CG 4.12Å; I43-L47 WeakPolarHBondContact O-CB 3.23Å; I43-L47 VanDerWaalsContact O-CG 3.25Å; I43-L47 WeakPolarHBondContact O-CG 3.39Å; I43-L47 PolarHBondContact O-N 2.91Å; I43-P54 HydrophobicContact CD1-CG 4.15Å; I43-I69 HydrophobicContact CG1-CG2 4.2Å; I43-I69 HydrophobicContact CG2-CD1 4.43Å
44L96.5Very high96.6Very high54 Ų5453.2 Ų53.228%0.28328%0.28SS..Hα-helixtrans-61.4-42.9176.1-72.8175.8000111.8R40 L47 K48 I69R40-L44 HydrophobicContact CG-CD1 3.74Å; R40-L44 HydrophobicContact CG-CG 4.4Å; R40-L44 WeakPolarHBondContact O-CB 3.46Å; R40-L44 WeakPolarHBondContact O-CG 3.2Å; R40-L44 PolarHBondContact O-N 3.43Å; L44-L47 PolarHBondContact O-N 3.17Å; L44-K48 PolarHBondContact O-N 2.8Å; L44-I69 HydrophobicContact CD2-CD1 3.62Å; L44-I69 HydrophobicContact CG-CD1 4.43Å
45T96.8Very high96.6Very high65 Ų6554.8 Ų54.840%0.39929%0.288SS..Hα-helixtrans-64.2-43.4176.4-63.30000111.9S41 C42 I43 L47 K48S41-T45 WeakPolarHBondContact O-CB 3.41Å; S41-T45 PolarHBondContact O-N 3.02Å; S41-T45 VanDerWaalsContact O-N 3.08Å; S41-T45 PolarHBondContact O-OG1 2.92Å; C42-T45 PolarHBondContact O-N 3.25Å; I43-T45 VanDerWaalsContact C-N 3.34Å; I43-T45 PolarHBondContact O-N 3.01Å; T45-L47 PolarHBondContact O-N 3.3Å; T45-K48 WeakPolarHBondContact O-CB 3.49Å; T45-K48 PolarHBondContact O-N 3.32Å
46Y96.9Very high96.7Very high55 Ų5551.1 Ų51.122%0.21627%0.273CS..Hα-helixtrans-62.8-42.1177.6177.1-88.1000112.2L20 C42 I43 K48 L49 N50 T52 P54L20-Y46 HydrophobicContact CD2-CD2 4.05Å; L20-Y46 HydrophobicContact CD2-CG 4.43Å; C42-Y46 WeakPolarHBondContact O-CB 3.37Å; C42-Y46 PolarHBondContact O-N 3.49Å; I43-Y46 HydrophobicContact CD1-CD1 4.28Å; I43-Y46 PolarHBondContact O-N 3.38Å; Y46-K48 PolarHBondContact O-N 3.03Å; Y46-K48 VanDerWaalsContact O-N 3.16Å; Y46-L49 PolarHBondContact O-N 3.39Å; Y46-N50 HydrophobicContact CD1-CB 4.01Å; Y46-N50 HydrophobicContact CE1-CB 3.38Å; Y46-N50 HydrophobicContact CE2-CB 4.19Å; Y46-N50 VanDerWaalsContact CZ-CB 3.5Å; Y46-N50 PolarHBondContact O-N 3.07Å; Y46-T52 VanDerWaalsContact CE1-O 3.24Å; Y46-T52 WeakPolarHBondContact CE1-O 3.31Å; Y46-P54 HydrophobicContact CD1-CG 3.72Å; Y46-P54 HydrophobicContact CD2-CG 4.28Å; Y46-P54 HydrophobicContact CE1-CB 4.44Å; Y46-P54 HydrophobicContact CE1-CG 3.58Å; Y46-P54 HydrophobicContact CE2-CB 4.33Å; Y46-P54 HydrophobicContact CE2-CG 4.13Å; Y46-P54 HydrophobicContact CG-CG 4.07Å
47L95.9Very high96.6Very high17 Ų1751.7 Ų51.79%0.08929%0.288CS..THydrogen-bonded Turntrans-72.6-3.4-179.1-64.3180000114.6I43 L44 T45 L49 N50 L60 P65 I69I43-L47 HydrophobicContact CD1-CD1 4.22Å; I43-L47 HydrophobicContact CD1-CD2 4.27Å; I43-L47 HydrophobicContact CD1-CG 4.01Å; I43-L47 HydrophobicContact CG1-CD1 3.9Å; I43-L47 HydrophobicContact CG1-CG 4.12Å; I43-L47 WeakPolarHBondContact O-CB 3.23Å; I43-L47 VanDerWaalsContact O-CG 3.25Å; I43-L47 WeakPolarHBondContact O-CG 3.39Å; I43-L47 PolarHBondContact O-N 2.91Å; L44-L47 PolarHBondContact O-N 3.17Å; T45-L47 PolarHBondContact O-N 3.3Å; L47-L49 VanDerWaalsContact C-N 3.29Å; L47-N50 WeakPolarHBondContact CA-O 3.38Å; L47-N50 WeakPolarHBondContact CD2-O 3.46Å; L47-L60 HydrophobicContact CD1-CD1 4.34Å; L47-L60 HydrophobicContact CD2-CD1 3.65Å; L47-P65 HydrophobicContact CB-CB 4.26Å; L47-P65 HydrophobicContact CB-CG 4.18Å; L47-P65 HydrophobicContact CD1-CB 4.21Å; L47-P65 HydrophobicContact CD2-CB 3.94Å; L47-P65 HydrophobicContact CG-CB 4.34Å; L47-I69 HydrophobicContact CD1-CD1 4.23Å; L47-I69 HydrophobicContact CD1-CG2 3.91Å
48K94.3Very high96.4Very high149 Ų14953 Ų5365%0.64830%0.295SS*.THydrogen-bonded Turntrans-67.4-32168.4-67.6-178.1177.5-172.90112L44 T45 Y46L44-K48 PolarHBondContact O-N 2.8Å; T45-K48 WeakPolarHBondContact O-CB 3.49Å; T45-K48 PolarHBondContact O-N 3.32Å; Y46-K48 PolarHBondContact O-N 3.03Å; Y46-K48 VanDerWaalsContact O-N 3.16Å
49L93.3Very high96.3Very high157 Ų15757.6 Ų57.682%0.82232%0.319SS*.THydrogen-bonded Turntrans-113.8-18.9-173.9-59.5176.7000113.1Y46 L47Y46-L49 PolarHBondContact O-N 3.39Å; L47-L49 VanDerWaalsContact C-N 3.29Å
50N94.8Very high96.1Very high64 Ų6458 Ų5834%0.34232%0.321SS..  trans-130.2146-170.9-62.588.2000112Y46 L47Y46-N50 HydrophobicContact CD1-CB 4.01Å; Y46-N50 HydrophobicContact CE1-CB 3.38Å; Y46-N50 HydrophobicContact CE2-CB 4.19Å; Y46-N50 VanDerWaalsContact CZ-CB 3.5Å; Y46-N50 PolarHBondContact O-N 3.07Å; L47-N50 WeakPolarHBondContact CA-O 3.38Å; L47-N50 WeakPolarHBondContact CD2-O 3.46Å
51T94.7Very high95.9Very high56 Ų5656.7 Ų56.734%0.34432%0.319SS..SBendtrans-1116.3178.654.50000113.6L60 P65T51-L60 WeakPolarHBondContact O-CB 3.22Å; T51-L60 PolarHBondContact O-N 3.02Å; T51-P65 HydrophobicContact CG2-CG 4.31Å
52T96.7Very high95.5Very high43 Ų4363.6 Ų63.626%0.26434%0.344SS..BIsolated β-bridgetrans-115.7159.6-175.6560000111.8Y46 T58Y46-T52 VanDerWaalsContact CE1-O 3.24Å; Y46-T52 WeakPolarHBondContact CE1-O 3.31Å; T52-T58 CarbonylContact C-O 3.5Å; T52-T58 VanDerWaalsContact CA-O 3.29Å; T52-T58 WeakPolarHBondContact CA-O 3.45Å
53C97.3Very high95Very high2 Ų268 Ų681%0.01437%0.371CS..  trans-67133.9174.2-179.30000111.7I31 C34 H36 V55 C56 A57 T58 L60I31-C53 HydrophobicContact CD1-CB 4.12Å; C34-C53 VanDerWaalsContact SG-SG 3.6Å; H36-C53 PolarHBondContact ND1-SG 3.33Å; C53-V55 PolarHBondContact O-N 2.9Å; C53-V55 VanDerWaalsContact O-N 3.11Å; C53-V55 PolarHBondContact SG-N 2.8Å; C53-V55 VanDerWaalsContact SG-N 3.41Å; C53-C56 VanDerWaalsContact CB-SG 3.59Å; C53-A57 VanDerWaalsContact O-CA 3.29Å; C53-A57 WeakPolarHBondContact O-CA 3.37Å; C53-A57 PolarHBondContact O-N 3.4Å; C53-T58 PolarHBondContact N-O 3.23Å; C53-L60 HydrophobicContact CB-CD2 4.15Å
54P96.6Very high94.6Very high42 Ų4273.4 Ų73.427%0.27339%0.394SS..THydrogen-bonded Turntrans-61-17.1174.8-21.428.8000115.6L20 F38 I43 Y46L20-P54 HydrophobicContact CD1-CG 4.32Å; L20-P54 HydrophobicContact CD2-CB 3.91Å; L20-P54 HydrophobicContact CD2-CG 4.03Å; L20-P54 HydrophobicContact CG-CG 4.42Å; F38-P54 HydrophobicContact CE1-CB 3.95Å; F38-P54 HydrophobicContact CE1-CG 3.81Å; F38-P54 HydrophobicContact CE2-CG 4.49Å; F38-P54 HydrophobicContact CZ-CB 4.09Å; F38-P54 HydrophobicContact CZ-CG 3.76Å; I43-P54 HydrophobicContact CD1-CG 4.15Å; Y46-P54 HydrophobicContact CD1-CG 3.72Å; Y46-P54 HydrophobicContact CD2-CG 4.28Å; Y46-P54 HydrophobicContact CE1-CB 4.44Å; Y46-P54 HydrophobicContact CE1-CG 3.58Å; Y46-P54 HydrophobicContact CE2-CB 4.33Å; Y46-P54 HydrophobicContact CE2-CG 4.13Å; Y46-P54 HydrophobicContact CG-CG 4.07Å
55V96.7Very high94.4Very high63 Ų6371.4 Ų71.438%0.38239%0.385SS..THydrogen-bonded Turntrans-105.3-53.2-173.2179.20000111.6N19 F38 C53N19-V55 HydrophobicContact CB-CG2 4.14Å; N19-V55 VanDerWaalsContact ND2-CG2 3.29Å; N19-V55 WeakPolarHBondContact ND2-CG2 3.32Å; F38-V55 HydrophobicContact CE1-CG2 3.98Å; F38-V55 HydrophobicContact CZ-CG2 3.8Å; C53-V55 PolarHBondContact O-N 2.9Å; C53-V55 VanDerWaalsContact O-N 3.11Å; C53-V55 PolarHBondContact SG-N 2.8Å; C53-V55 VanDerWaalsContact SG-N 3.41Å
56C97.1Very high94.2Very high54 Ų5473.4 Ų73.437%0.36539%0.389SS..THydrogen-bonded Turntrans-109.63.6-174.562.40000114.4H36 C53 T58H36-C56 VanDerWaalsContact CE1-SG 3.53Å; H36-C56 PolarHBondContact ND1-SG 3.31Å; C53-C56 VanDerWaalsContact CB-SG 3.59Å; C56-T58 PolarHBondContact O-N 3.05Å; C56-T58 PolarHBondContact SG-OG1 2.87Å
57A95.4Very high94Very high72 Ų7273.4 Ų73.460%0.59540%0.397SS*.  trans57.38.9-178.700000116.2C53 L59C53-A57 VanDerWaalsContact O-CA 3.29Å; C53-A57 WeakPolarHBondContact O-CA 3.37Å; C53-A57 PolarHBondContact O-N 3.4Å; A57-L59 PolarHBondContact O-N 3.02Å
58T94.9Very high93.9Very high61 Ų6173 Ų7337%0.37440%0.395SS..  trans-57132.8173.9-55.60000110.7T52 C53 C56 L60T52-T58 CarbonylContact C-O 3.5Å; T52-T58 VanDerWaalsContact CA-O 3.29Å; T52-T58 WeakPolarHBondContact CA-O 3.45Å; C53-T58 PolarHBondContact N-O 3.23Å; C56-T58 PolarHBondContact O-N 3.05Å; C56-T58 PolarHBondContact SG-OG1 2.87Å; T58-L60 PolarHBondContact O-N 2.77Å
59L95.5Very high94Very high96 Ų9666.8 Ų66.850%0.50337%0.369SS..BIsolated β-bridgetrans-67121.2174.7179.666.9000109.9A57A57-L59 PolarHBondContact O-N 3.02Å
60L94.3Very high94.1Very high12 Ų1265.4 Ų65.46%0.06335%0.353CS..  trans-82-45.8-175.8-56.8-168.4000112I31 L47 T51 C53 T58 A68I31-L60 HydrophobicContact CD1-CD1 3.93Å; I31-L60 HydrophobicContact CD1-CD2 4.11Å; I31-L60 HydrophobicContact CG1-CD1 4.31Å; I31-L60 HydrophobicContact CG2-CD1 4.33Å; I31-L60 HydrophobicContact CG2-CD2 3.4Å; I31-L60 VanDerWaalsContact CG2-CD2 3.4Å; I31-L60 HydrophobicContact CG2-CG 4.45Å; L47-L60 HydrophobicContact CD1-CD1 4.34Å; L47-L60 HydrophobicContact CD2-CD1 3.65Å; T51-L60 WeakPolarHBondContact O-CB 3.22Å; T51-L60 PolarHBondContact O-N 3.02Å; C53-L60 HydrophobicContact CB-CD2 4.15Å; T58-L60 PolarHBondContact O-N 2.77Å; L60-A68 HydrophobicContact CB-CB 3.78Å
61H92.7Very high94.2Very high73 Ų7366 Ų6634%0.33836%0.361SS..  trans-164.3150.3178.3-168.9-75.3000109.1T63 K64H61-T63 PolarHBondContact CE1-OG1 2.86Å; H61-T63 VanDerWaalsContact CE1-OG1 3.25Å; H61-T63 PolarHBondContact ND1-N 2.81Å; H61-K64 WeakPolarHBondContact CB-O 3.33Å; H61-K64 PolarHBondContact ND1-N 2.87Å
62K88.3Confident94.2Very high182 Ų18265.5 Ų65.579%0.79136%0.356SS*.SBendtrans-64.8-47.5-179.6-64.7-175.9179.1-178.10113.4
63T87.6Confident93.9Very high111 Ų11167.4 Ų67.468%0.68136%0.358SS*.SBendtrans-118.3-32.3-174.453.60000115.6H61H61-T63 PolarHBondContact CE1-OG1 2.86Å; H61-T63 VanDerWaalsContact CE1-OG1 3.25Å; H61-T63 PolarHBondContact ND1-N 2.81Å
64K91Very high93.6Very high113 Ų11369.4 Ų69.449%0.49137%0.374SS..  trans-126.278.5-173.4-66.1-175.1-178.7-176.80111.8H61 H66 C67H61-K64 WeakPolarHBondContact CB-O 3.33Å; H61-K64 PolarHBondContact ND1-N 2.87Å; K64-H66 VanDerWaalsContact CB-CE1 3.5Å; K64-H66 WeakPolarHBondContact CB-CE1 3.33Å; K64-H66 PolarHBondContact O-N 2.86Å; K64-C67 WeakPolarHBondContact O-CB 3.33Å; K64-C67 PolarHBondContact O-N 3.44Å
65P91.8Very high93.5Very high13 Ų1368.8 Ų68.88%0.08437%0.369CS..G310 helixtrans-60.5-26.4-178.723.6-33.6000113.5L47 T51 C67 A68L47-P65 HydrophobicContact CB-CB 4.26Å; L47-P65 HydrophobicContact CB-CG 4.18Å; L47-P65 HydrophobicContact CD1-CB 4.21Å; L47-P65 HydrophobicContact CD2-CB 3.94Å; L47-P65 HydrophobicContact CG-CB 4.34Å; T51-P65 HydrophobicContact CG2-CG 4.31Å; P65-C67 PolarHBondContact O-N 3.3Å; P65-A68 WeakPolarHBondContact O-CB 3.49Å; P65-A68 PolarHBondContact O-N 3.44Å
66H91.6Very high93.4Very high107 Ų10766 Ų6650%0.49535%0.351SS..G310 helixtrans-61.2-24.5175.362.5-96.5000113.5K64 A68 I69K64-H66 VanDerWaalsContact CB-CE1 3.5Å; K64-H66 WeakPolarHBondContact CB-CE1 3.33Å; K64-H66 PolarHBondContact O-N 2.86Å; H66-A68 PolarHBondContact O-N 3.04Å; H66-I69 WeakPolarHBondContact O-CG1 3.49Å; H66-I69 PolarHBondContact O-N 3.1Å
67C92.7Very high93Very high55 Ų5564 Ų6437%0.37234%0.338SS..G310 helixtrans-69.1-17.1176.4-63.80000112.9K64 P65 R70K64-C67 WeakPolarHBondContact O-CB 3.33Å; K64-C67 PolarHBondContact O-N 3.44Å; P65-C67 PolarHBondContact O-N 3.3Å; C67-R70 PolarHBondContact O-NH1 3.47Å; C67-R70 PolarHBondContact O-NH2 2.94Å
68A93.7Very high92.9Very high7 Ų764.3 Ų64.36%0.05833%0.329CS..G310 helixtrans-93.5-1.4-176.800000114.2V32 L60 P65 H66V32-A68 PolarHBondContact N-O 2.68Å; L60-A68 HydrophobicContact CB-CB 3.78Å; P65-A68 WeakPolarHBondContact O-CB 3.49Å; P65-A68 PolarHBondContact O-N 3.44Å; H66-A68 PolarHBondContact O-N 3.04Å
69I96.6Very high92.8Very high19 Ų1961.4 Ų61.410%0.09731%0.311CS..EExtended strand (participates in β ladder)trans-110.8147-179.357.7167.3000111.9T29 T30 I31 I43 L44 L47 H66T29-I69 HydrophobicContact CG2-CB 3.86Å; T29-I69 HydrophobicContact CG2-CD1 4.05Å; T29-I69 HydrophobicContact CG2-CG1 4.38Å; T30-I69 WeakPolarHBondContact O-CA 3.39Å; I31-I69 HydrophobicContact CG1-CG2 3.92Å; I43-I69 HydrophobicContact CG1-CG2 4.2Å; I43-I69 HydrophobicContact CG2-CD1 4.43Å; L44-I69 HydrophobicContact CD2-CD1 3.62Å; L44-I69 HydrophobicContact CG-CD1 4.43Å; L47-I69 HydrophobicContact CD1-CD1 4.23Å; L47-I69 HydrophobicContact CD1-CG2 3.91Å; H66-I69 WeakPolarHBondContact O-CG1 3.49Å; H66-I69 PolarHBondContact O-N 3.1Å
70R96.5Very high92.7Very high128 Ų12857.1 Ų57.148%0.48329%0.289SS..EExtended strand (participates in β ladder)trans-136.9143.5174.8-65-66.1-179.3-78.4-4.9110.4T29 T30 V32 C67 D72T29-R70 CarbonylContact C-O 3.55Å; T29-R70 WeakPolarHBondContact CA-O 3.46Å; T30-R70 PolarHBondContact N-O 3.02Å; T30-R70 PolarHBondContact O-N 3.44Å; V32-R70 HydrophobicContact CG2-CB 4.38Å; V32-R70 HydrophobicContact CG2-CG 3.65Å; C67-R70 PolarHBondContact O-NH1 3.47Å; C67-R70 PolarHBondContact O-NH2 2.94Å; R70-D72 PolarHBondContact O-N 2.89Å
71P95.5Very high92.5Very high78 Ų7860.7 Ų60.751%0.50630%0.303SS..EExtended strand (participates in β ladder)trans-64.3130.9171.827.7-33.4000110
72D95.2Very high92.4Very high45 Ų4560.9 Ų60.924%0.24131%0.307CS..  trans-103.686.5-179.9-165.7-28.1000109.9A28 T30 R70 A74 L75 Q76A28-D72 HydrophobicContact CB-CB 4.34Å; A28-D72 PolarHBondContact O-N 2.87Å; T30-D72 WeakPolarHBondContact OG1-CB 3.5Å; T30-D72 PolarHBondContact OG1-OD2 2.79Å; R70-D72 PolarHBondContact O-N 2.89Å; D72-A74 VanDerWaalsContact C-N 3.28Å; D72-A74 PolarHBondContact O-N 3.03Å; D72-A74 PolarHBondContact OD1-N 3.21Å; D72-L75 HydrophobicContact CB-CB 4.07Å; D72-L75 WeakPolarHBondContact OD1-CB 3.46Å; D72-L75 PolarHBondContact OD1-N 3.14Å; D72-Q76 WeakPolarHBondContact O-CB 3.41Å; D72-Q76 PolarHBondContact O-N 2.77Å
73R91.1Very high92.6Very high83 Ų8352.8 Ų52.831%0.31327%0.272SS..Hα-helixtrans-68-30.6-176.7-58.3-58.1-172.1170.12.1112.1S77 E112 A222 R224R73-S77 WeakPolarHBondContact O-CB 3.12Å; R73-S77 PolarHBondContact O-N 3.16Å; R73-E112 IonicContact NH1-OE1 3.96Å; R73-E112 PolarHBondContact NH1-OE1 2.92Å; R73-E112 IonicContact NH1-OE2 3.47Å; R73-E112 PolarHBondContact NH1-OE2 3.17Å; R73-A222 HydrophobicContact CB-CB 3.99Å; R73-R224 VanDerWaalsContact NH1-NH2 3.19Å
74A90.7Very high92.8Very high43 Ų4351.2 Ų51.236%0.35526%0.264SS..Hα-helixtrans-70.7-49.8178.900000110.4D72 Q76 S77 I78D72-A74 VanDerWaalsContact C-N 3.28Å; D72-A74 PolarHBondContact O-N 3.03Å; D72-A74 PolarHBondContact OD1-N 3.21Å; A74-Q76 VanDerWaalsContact C-N 3.32Å; A74-Q76 PolarHBondContact O-N 3.33Å; A74-S77 WeakPolarHBondContact O-CB 3.31Å; A74-S77 PolarHBondContact O-N 3.19Å; A74-S77 VanDerWaalsContact O-N 3.13Å; A74-I78 WeakPolarHBondContact O-CG1 3.44Å; A74-I78 PolarHBondContact O-N 2.88Å
75L94.2Very high92.8Very high29 Ų2950.4 Ų50.415%0.15226%0.264CS..Hα-helixtrans-60.4-42.9176-178.356.9000111.5L25 A28 S37 D72 S77 I78 V79L25-L75 HydrophobicContact CD1-CD1 4.49Å; L25-L75 HydrophobicContact CD1-CD2 3.72Å; L25-L75 HydrophobicContact CD1-CG 4.07Å; A28-L75 HydrophobicContact CB-CB 4.26Å; A28-L75 HydrophobicContact CB-CD2 4.19Å; A28-L75 HydrophobicContact CB-CG 4.16Å; S37-L75 VanDerWaalsContact CB-CD2 3.45Å; S37-L75 VanDerWaalsContact OG-CD2 3.27Å; S37-L75 WeakPolarHBondContact OG-CD2 3.33Å; D72-L75 HydrophobicContact CB-CB 4.07Å; D72-L75 WeakPolarHBondContact OD1-CB 3.46Å; D72-L75 PolarHBondContact OD1-N 3.14Å; L75-S77 VanDerWaalsContact C-N 3.28Å; L75-S77 PolarHBondContact O-N 3.02Å; L75-I78 WeakPolarHBondContact O-CB 3.45Å; L75-I78 PolarHBondContact O-N 3.46Å; L75-I78 VanDerWaalsContact O-N 3.16Å; L75-V79 HydrophobicContact CD1-CG2 4.27Å; L75-V79 HydrophobicContact CG-CG2 4.43Å; L75-V79 VanDerWaalsContact O-CG2 3.24Å; L75-V79 WeakPolarHBondContact O-CG2 3.48Å; L75-V79 PolarHBondContact O-N 3.41Å
76Q94.2Very high93Very high4 Ų450.9 Ų50.92%0.01927%0.266CS..Hα-helixtrans-61.1-39.2176.3-170.258.250.700112.2L25 A28 D72 A74 V79 Y80L25-Q76 PolarHBondContact O-NE2 3.43Å; L25-Q76 VanDerWaalsContact O-NE2 3.11Å; L25-Q76 PolarHBondContact O-OE1 3.05Å; A28-Q76 HydrophobicContact CB-CB 4.06Å; D72-Q76 WeakPolarHBondContact O-CB 3.41Å; D72-Q76 PolarHBondContact O-N 2.77Å; A74-Q76 VanDerWaalsContact C-N 3.32Å; A74-Q76 PolarHBondContact O-N 3.33Å; Q76-V79 PolarHBondContact O-N 3.23Å; Q76-Y80 HydrophobicContact CG-CD2 3.9Å; Q76-Y80 HydrophobicContact CG-CE2 3.58Å; Q76-Y80 VanDerWaalsContact NE2-CE2 3.27Å; Q76-Y80 PolarHBondContact O-N 3.42Å
77S90Very high93Very high13 Ų1346 Ų469%0.09124%0.243CC..Hα-helixtrans-63.3-42.7175.1-172.80000111.6R73 A74 L75 Y80 K81R73-S77 WeakPolarHBondContact O-CB 3.12Å; R73-S77 PolarHBondContact O-N 3.16Å; A74-S77 WeakPolarHBondContact O-CB 3.31Å; A74-S77 PolarHBondContact O-N 3.19Å; A74-S77 VanDerWaalsContact O-N 3.13Å; L75-S77 VanDerWaalsContact C-N 3.28Å; L75-S77 PolarHBondContact O-N 3.02Å; S77-Y80 PolarHBondContact O-N 3.34Å; S77-K81 WeakPolarHBondContact O-CB 3.37Å; S77-K81 WeakPolarHBondContact O-CG 3.17Å; S77-K81 PolarHBondContact O-N 3.36Å; S77-K81 WeakPolarHBondContact OG-CE 3.36Å
78I91.8Very high93.1Very high78 Ų7847.5 Ų47.540%0.425%0.245SC..Hα-helixtrans-60.7-47.5175.3-67.1165.8000110.6L16 A74 L75 Y80 K81 L82L16-I78 HydrophobicContact CD2-CG2 4.19Å; A74-I78 WeakPolarHBondContact O-CG1 3.44Å; A74-I78 PolarHBondContact O-N 2.88Å; L75-I78 WeakPolarHBondContact O-CB 3.45Å; L75-I78 PolarHBondContact O-N 3.46Å; L75-I78 VanDerWaalsContact O-N 3.16Å; I78-Y80 PolarHBondContact O-N 2.97Å; I78-K81 PolarHBondContact O-N 3.43Å; I78-L82 HydrophobicContact CG2-CD1 3.55Å; I78-L82 HydrophobicContact CG2-CG 4.12Å; I78-L82 WeakPolarHBondContact O-CB 3.45Å; I78-L82 WeakPolarHBondContact O-CG 3.21Å; I78-L82 PolarHBondContact O-N 2.78Å
79V94.2Very high93.1Very high0 Ų051.5 Ų51.50%026%0.261CS..Hα-helixtrans-59.8-46.6179.8173.60000111.2L16 L25 L75 Q76 K81 L82 I83 L86L16-V79 HydrophobicContact CB-CG2 4.29Å; L16-V79 HydrophobicContact CD2-CG2 3.64Å; L25-V79 HydrophobicContact CB-CG2 4.11Å; L25-V79 HydrophobicContact CD1-CG2 4.22Å; L25-V79 WeakPolarHBondContact O-CG1 3.04Å; L75-V79 HydrophobicContact CD1-CG2 4.27Å; L75-V79 HydrophobicContact CG-CG2 4.43Å; L75-V79 VanDerWaalsContact O-CG2 3.24Å; L75-V79 WeakPolarHBondContact O-CG2 3.48Å; L75-V79 PolarHBondContact O-N 3.41Å; Q76-V79 PolarHBondContact O-N 3.23Å; V79-K81 VanDerWaalsContact C-N 3.33Å; V79-K81 PolarHBondContact O-N 2.96Å; V79-L82 PolarHBondContact O-N 2.67Å; V79-I83 HydrophobicContact CG1-CG1 4.5Å; V79-I83 WeakPolarHBondContact O-CG1 3.43Å; V79-I83 PolarHBondContact O-N 2.84Å; V79-I83 VanDerWaalsContact O-N 3.08Å; V79-L86 HydrophobicContact CG1-CD2 3.51Å
80Y92.8Very high93.1Very high7 Ų752.5 Ų52.53%0.02727%0.265CS..Hα-helixtrans-68.4-28.7177.8-72.5-32.8000114I26 Q76 S77 I78 L86 F87 Y122I26-Y80 HydrophobicContact CD1-CE1 4.19Å; Q76-Y80 HydrophobicContact CG-CD2 3.9Å; Q76-Y80 HydrophobicContact CG-CE2 3.58Å; Q76-Y80 VanDerWaalsContact NE2-CE2 3.27Å; Q76-Y80 PolarHBondContact O-N 3.42Å; S77-Y80 PolarHBondContact O-N 3.34Å; I78-Y80 PolarHBondContact O-N 2.97Å; Y80-L86 HydrophobicContact CD1-CD2 4.26Å; Y80-L86 HydrophobicContact CD1-CG 4.24Å; Y80-L86 HydrophobicContact CE1-CG 4.36Å; Y80-F87 HydrophobicContact CD1-CB 3.9Å; Y80-F87 HydrophobicContact CD1-CD2 4.1Å; Y80-F87 AromaticContact CD2-CD2 3.68Å; Y80-F87 HydrophobicContact CD2-CD2 3.68Å; Y80-F87 HydrophobicContact CD2-CE2 4.35Å; Y80-F87 HydrophobicContact CE1-CB 4.41Å; Y80-F87 HydrophobicContact CE1-CD2 4.18Å; Y80-F87 AromaticContact CE2-CD2 3.77Å; Y80-F87 HydrophobicContact CE2-CD2 3.77Å; Y80-F87 HydrophobicContact CE2-CE2 4.23Å; Y80-F87 HydrophobicContact CG-CB 4.09Å; Y80-F87 AromaticContact CG-CD2 3.85Å; Y80-F87 HydrophobicContact CG-CD2 3.85Å; Y80-F87 HydrophobicContact CG-CG 4.44Å; Y80-Y122 HydrophobicContact CD2-CD1 4.09Å; Y80-Y122 HydrophobicContact CD2-CD2 4.42Å; Y80-Y122 AromaticContact CD2-CE1 3.78Å; Y80-Y122 HydrophobicContact CD2-CE1 3.78Å; Y80-Y122 HydrophobicContact CD2-CE2 4.18Å; Y80-Y122 HydrophobicContact CD2-CG 4.39Å; Y80-Y122 AromaticContact CD2-CZ 3.83Å; Y80-Y122 HydrophobicContact CE2-CE1 4.22Å; Y80-Y122 HydrophobicContact CE2-CE2 4.44Å; Y80-Y122 AromaticContact CE2-CZ 3.95Å
81K89.4Confident92.9Very high86 Ų8646.6 Ų46.637%0.37424%0.243SC..Hα-helixtrans-76.7-39175.7-75.1174.8-179.4-171.40113S77 I78 V79 Y122 V123 C219S77-K81 WeakPolarHBondContact O-CB 3.37Å; S77-K81 WeakPolarHBondContact O-CG 3.17Å; S77-K81 PolarHBondContact O-N 3.36Å; S77-K81 WeakPolarHBondContact OG-CE 3.36Å; I78-K81 PolarHBondContact O-N 3.43Å; V79-K81 VanDerWaalsContact C-N 3.33Å; V79-K81 PolarHBondContact O-N 2.96Å; K81-Y122 WeakPolarHBondContact CE-O 3.47Å; K81-Y122 PolarHBondContact NZ-O 3.1Å; K81-V123 HydrophobicContact CG-CG2 4.11Å; K81-C219 PolarHBondContact NZ-SG 3.42Å; K81-C219 VanDerWaalsContact NZ-SG 3.35Å
82L91.8Very high92.8Very high78 Ų7846.2 Ų46.241%0.40824%0.237SC..Hα-helixtrans-84.1-34.5-173.7-68.4-178.8000113.2L16 I78 V79 P84L16-L82 HydrophobicContact CD1-CB 4.18Å; L16-L82 HydrophobicContact CD1-CD1 3.97Å; L16-L82 HydrophobicContact CD2-CD1 4.41Å; I78-L82 HydrophobicContact CG2-CD1 3.55Å; I78-L82 HydrophobicContact CG2-CG 4.12Å; I78-L82 WeakPolarHBondContact O-CB 3.45Å; I78-L82 WeakPolarHBondContact O-CG 3.21Å; I78-L82 PolarHBondContact O-N 2.78Å; V79-L82 PolarHBondContact O-N 2.67Å; L82-P84 WeakPolarHBondContact O-CD 3.26Å
83I93.1Very high92.8Very high11 Ų1147.6 Ų47.66%0.05625%0.249CC..SBendtrans-94.5112.1-175.6-51.6-56.7000110.3V9 L16 Y24 V79 L86V9-I83 HydrophobicContact CG1-CD1 3.43Å; V9-I83 VanDerWaalsContact CG1-CD1 3.43Å; L16-I83 HydrophobicContact CD1-CD1 3.71Å; L16-I83 HydrophobicContact CD1-CG1 4.2Å; Y24-I83 HydrophobicContact CD1-CD1 4.14Å; Y24-I83 HydrophobicContact CD1-CG1 3.98Å; Y24-I83 HydrophobicContact CD2-CG2 4Å; Y24-I83 HydrophobicContact CE1-CD1 3.58Å; Y24-I83 HydrophobicContact CE1-CG1 3.92Å; Y24-I83 HydrophobicContact CE2-CG2 3.74Å; Y24-I83 HydrophobicContact CG-CG1 4.34Å; V79-I83 HydrophobicContact CG1-CG1 4.5Å; V79-I83 WeakPolarHBondContact O-CG1 3.43Å; V79-I83 PolarHBondContact O-N 2.84Å; V79-I83 VanDerWaalsContact O-N 3.08Å; I83-L86 HydrophobicContact CB-CB 3.87Å; I83-L86 HydrophobicContact CB-CD2 3.82Å; I83-L86 HydrophobicContact CB-CG 4.48Å; I83-L86 HydrophobicContact CG1-CD2 4.14Å; I83-L86 HydrophobicContact CG2-CB 3.75Å; I83-L86 HydrophobicContact CG2-CD2 4.07Å; I83-L86 HydrophobicContact CG2-CG 4.41Å; I83-L86 WeakPolarHBondContact O-CB 3.43Å; I83-L86 PolarHBondContact O-N 3.1Å
84P90.9Very high92.9Very high79 Ų7944.5 Ų44.551%0.51324%0.238SC..THydrogen-bonded Turntrans-64.5139.3-177.224.1-31.7000111.6L82 L86L82-P84 WeakPolarHBondContact O-CD 3.26Å; P84-L86 PolarHBondContact O-N 2.99Å; P84-L86 VanDerWaalsContact O-N 3.09Å
85N91.9Very high92.9Very high95 Ų9548.1 Ų48.151%0.50824%0.242SC..THydrogen-bonded Turntrans63.43.1179.3-53.6-58000115.7E88 K89N85-E88 WeakPolarHBondContact CA-OE2 3.49Å; N85-K89 VanDerWaalsContact O-CB 3.29Å; N85-K89 WeakPolarHBondContact O-CB 3.14Å; N85-K89 WeakPolarHBondContact O-CD 3.15Å; N85-K89 WeakPolarHBondContact O-CG 3.29Å; N85-K89 PolarHBondContact O-N 3.19Å; N85-K89 VanDerWaalsContact O-N 3.11Å
86L94.5Very high92.9Very high23 Ų2352.8 Ų52.812%0.1226%0.261CS..Hα-helixtrans-68.4-45.2-177.2-179.663.3000111.2Y24 I26 V79 Y80 I83 P84 K89 E90Y24-L86 HydrophobicContact CD2-CD1 4.25Å; Y24-L86 HydrophobicContact CD2-CD2 4.39Å; Y24-L86 HydrophobicContact CG-CD2 4.15Å; I26-L86 HydrophobicContact CD1-CD1 4.2Å; I26-L86 HydrophobicContact CD1-CG 4.42Å; V79-L86 HydrophobicContact CG1-CD2 3.51Å; Y80-L86 HydrophobicContact CD1-CD2 4.26Å; Y80-L86 HydrophobicContact CD1-CG 4.24Å; Y80-L86 HydrophobicContact CE1-CG 4.36Å; I83-L86 HydrophobicContact CB-CB 3.87Å; I83-L86 HydrophobicContact CB-CD2 3.82Å; I83-L86 HydrophobicContact CB-CG 4.48Å; I83-L86 HydrophobicContact CG1-CD2 4.14Å; I83-L86 HydrophobicContact CG2-CB 3.75Å; I83-L86 HydrophobicContact CG2-CD2 4.07Å; I83-L86 HydrophobicContact CG2-CG 4.41Å; I83-L86 WeakPolarHBondContact O-CB 3.43Å; I83-L86 PolarHBondContact O-N 3.1Å; P84-L86 PolarHBondContact O-N 2.99Å; P84-L86 VanDerWaalsContact O-N 3.09Å; L86-K89 PolarHBondContact O-N 3.39Å; L86-E90 WeakPolarHBondContact O-CB 2.79Å; L86-E90 PolarHBondContact O-N 2.9Å
87F93.2Very high92.9Very high4 Ų455.2 Ų55.22%0.01827%0.272CS..Hα-helixtrans-62.7-49.7178.7179.3-97.7000111.5Y80 K89 E90 M91 L117 L119 Y122Y80-F87 HydrophobicContact CD1-CB 3.9Å; Y80-F87 HydrophobicContact CD1-CD2 4.1Å; Y80-F87 AromaticContact CD2-CD2 3.68Å; Y80-F87 HydrophobicContact CD2-CD2 3.68Å; Y80-F87 HydrophobicContact CD2-CE2 4.35Å; Y80-F87 HydrophobicContact CE1-CB 4.41Å; Y80-F87 HydrophobicContact CE1-CD2 4.18Å; Y80-F87 AromaticContact CE2-CD2 3.77Å; Y80-F87 HydrophobicContact CE2-CD2 3.77Å; Y80-F87 HydrophobicContact CE2-CE2 4.23Å; Y80-F87 HydrophobicContact CG-CB 4.09Å; Y80-F87 AromaticContact CG-CD2 3.85Å; Y80-F87 HydrophobicContact CG-CD2 3.85Å; Y80-F87 HydrophobicContact CG-CG 4.44Å; F87-K89 VanDerWaalsContact C-N 3.3Å; F87-K89 PolarHBondContact O-N 3.35Å; F87-E90 PolarHBondContact O-N 2.89Å; F87-M91 HydrophobicContact CD1-CG 4Å; F87-M91 HydrophobicContact CD2-CG 4.13Å; F87-M91 HydrophobicContact CE1-CG 3.49Å; F87-M91 VanDerWaalsContact CE1-CG 3.49Å; F87-M91 HydrophobicContact CE1-SD 4.46Å; F87-M91 HydrophobicContact CE2-CE 4Å; F87-M91 HydrophobicContact CE2-CG 3.63Å; F87-M91 HydrophobicContact CE2-SD 3.77Å; F87-M91 HydrophobicContact CG-CG 4.31Å; F87-M91 HydrophobicContact CZ-CG 3.3Å; F87-M91 HydrophobicContact CZ-SD 3.69Å; F87-M91 WeakPolarHBondContact O-CG 3.36Å; F87-M91 PolarHBondContact O-N 3.19Å; F87-L117 HydrophobicContact CZ-CB 4.02Å; F87-L119 HydrophobicContact CB-CD1 3.77Å; F87-L119 HydrophobicContact CD1-CB 3.89Å; F87-L119 HydrophobicContact CD1-CD1 3.71Å; F87-L119 HydrophobicContact CD1-CG 4.39Å; F87-L119 HydrophobicContact CD2-CD1 4.5Å; F87-L119 HydrophobicContact CE1-CB 4.15Å; F87-L119 HydrophobicContact CE1-CD1 4.48Å; F87-L119 VanDerWaalsContact CE1-N 3.33Å; F87-L119 HydrophobicContact CG-CD1 3.71Å; F87-Y122 HydrophobicContact CD2-CD2 4.07Å; F87-Y122 AromaticContact CD2-CE2 3.89Å; F87-Y122 HydrophobicContact CD2-CE2 3.89Å; F87-Y122 AromaticContact CE2-CD2 3.68Å; F87-Y122 HydrophobicContact CE2-CD2 3.68Å; F87-Y122 AromaticContact CE2-CE2 3.21Å; F87-Y122 HydrophobicContact CE2-CE2 3.21Å; F87-Y122 HydrophobicContact CZ-CD2 4.11Å; F87-Y122 AromaticContact CZ-CE2 3.82Å; F87-Y122 HydrophobicContact CZ-CE2 3.82Å
88E92.9Very high92.8Very high87 Ų8756.6 Ų56.641%0.40728%0.275SS..Hα-helixtrans-61.6-40.1-179.8-63.692.2161.400111.7N85 L92N85-E88 WeakPolarHBondContact CA-OE2 3.49Å; E88-L92 WeakPolarHBondContact O-CB 3.38Å; E88-L92 PolarHBondContact O-N 3.4Å
89K94.7Very high92.6Very high91 Ų9160.3 Ų60.340%0.39629%0.291SS..Hα-helixtrans-62.2-47.4175.7-76.6173.6-177.1178.40111.5N85 L86 F87 L92 C93N85-K89 VanDerWaalsContact O-CB 3.29Å; N85-K89 WeakPolarHBondContact O-CB 3.14Å; N85-K89 WeakPolarHBondContact O-CD 3.15Å; N85-K89 WeakPolarHBondContact O-CG 3.29Å; N85-K89 PolarHBondContact O-N 3.19Å; N85-K89 VanDerWaalsContact O-N 3.11Å; L86-K89 PolarHBondContact O-N 3.39Å; F87-K89 VanDerWaalsContact C-N 3.3Å; F87-K89 PolarHBondContact O-N 3.35Å; K89-L92 PolarHBondContact O-N 2.86Å; K89-C93 PolarHBondContact O-N 3.03Å; K89-C93 PolarHBondContact O-SG 3.11Å
90E95.5Very high92.5Very high40 Ų4063.8 Ų63.819%0.18732%0.319CS..Hα-helixtrans-64-47179.4176.857.5-161.300111.8I26 L86 F87 L92 C93 R94I26-E90 HydrophobicContact CD1-CB 4.3Å; I26-E90 HydrophobicContact CD1-CG 4.14Å; I26-E90 HydrophobicContact CG2-CG 4.05Å; I26-E90 WeakPolarHBondContact CG2-OE1 3.19Å; L86-E90 WeakPolarHBondContact O-CB 2.79Å; L86-E90 PolarHBondContact O-N 2.9Å; F87-E90 PolarHBondContact O-N 2.89Å; E90-L92 VanDerWaalsContact C-N 3.3Å; E90-L92 PolarHBondContact O-N 2.78Å; E90-C93 WeakPolarHBondContact O-CB 3.41Å; E90-C93 PolarHBondContact O-N 2.89Å; E90-R94 WeakPolarHBondContact O-CG 3.29Å; E90-R94 PolarHBondContact O-N 3.47Å; E90-R94 IonicContact OE1-CZ 3.81Å; E90-R94 IonicContact OE1-NE 3.81Å; E90-R94 PolarHBondContact OE1-NE 3.21Å; E90-R94 IonicContact OE1-NH2 3.8Å; E90-R94 PolarHBondContact OE1-NH2 3.27Å
91M93.7Very high92.3Very high4 Ų468.4 Ų68.42%0.0234%0.341CS..Hα-helixtrans-63.4-36.1176.7-65.9-58.496.300112.1F87 R95 L117F87-M91 HydrophobicContact CD1-CG 4Å; F87-M91 HydrophobicContact CD2-CG 4.13Å; F87-M91 HydrophobicContact CE1-CG 3.49Å; F87-M91 VanDerWaalsContact CE1-CG 3.49Å; F87-M91 HydrophobicContact CE1-SD 4.46Å; F87-M91 HydrophobicContact CE2-CE 4Å; F87-M91 HydrophobicContact CE2-CG 3.63Å; F87-M91 HydrophobicContact CE2-SD 3.77Å; F87-M91 HydrophobicContact CG-CG 4.31Å; F87-M91 HydrophobicContact CZ-CG 3.3Å; F87-M91 HydrophobicContact CZ-SD 3.69Å; F87-M91 WeakPolarHBondContact O-CG 3.36Å; F87-M91 PolarHBondContact O-N 3.19Å; M91-R95 WeakPolarHBondContact O-CG 3.46Å; M91-R95 PolarHBondContact O-N 3.2Å; M91-R95 PolarHBondContact O-NE 3.01Å; M91-L117 HydrophobicContact SD-CB 4.36Å
92L93.8Very high92.1Very high70 Ų7069.6 Ų69.637%0.36636%0.358SS..Hα-helixtrans-65.1-43.6173.4-179.664000111.7E88 K89 E90 R95 K96E88-L92 WeakPolarHBondContact O-CB 3.38Å; E88-L92 PolarHBondContact O-N 3.4Å; K89-L92 PolarHBondContact O-N 2.86Å; E90-L92 VanDerWaalsContact C-N 3.3Å; E90-L92 PolarHBondContact O-N 2.78Å; L92-R95 PolarHBondContact O-N 2.95Å; L92-K96 HydrophobicContact CD1-CD 4.43Å; L92-K96 HydrophobicContact CD1-CG 4.34Å; L92-K96 HydrophobicContact CG-CD 4.26Å; L92-K96 WeakPolarHBondContact O-CB 3.37Å; L92-K96 WeakPolarHBondContact O-CG 3.26Å; L92-K96 PolarHBondContact O-N 3.26Å
93C94.1Very high91.5Very high74 Ų7468.3 Ų68.350%0.536%0.355SS..Hα-helixtrans-60-45.8175.9-72.60000111.5K89 E90 K96 F97K89-C93 PolarHBondContact O-N 3.03Å; K89-C93 PolarHBondContact O-SG 3.11Å; E90-C93 WeakPolarHBondContact O-CB 3.41Å; E90-C93 PolarHBondContact O-N 2.89Å; C93-K96 PolarHBondContact O-N 2.95Å; C93-F97 WeakPolarHBondContact O-CB 3.43Å; C93-F97 PolarHBondContact O-N 2.99Å
94R93.6Very high90.4Very high19 Ų1972.5 Ų72.57%0.07238%0.384CS..Hα-helixtrans-58.5-48.5175.9-69.3-179.8-170.9-156.1-7.8112D27 E90 F97 Y98 E112D27-R94 VanDerWaalsContact CG-NH2 3.35Å; D27-R94 IonicContact OD1-NH1 3.06Å; D27-R94 IonicContact OD1-NH2 2.92Å; D27-R94 PolarHBondContact OD1-NH2 3.13Å; D27-R94 IonicContact OD2-CZ 3.45Å; D27-R94 IonicContact OD2-NH1 3.15Å; D27-R94 IonicContact OD2-NH2 3.88Å; D27-R94 PolarHBondContact OD2-NH2 2.9Å; E90-R94 WeakPolarHBondContact O-CG 3.29Å; E90-R94 PolarHBondContact O-N 3.47Å; E90-R94 IonicContact OE1-CZ 3.81Å; E90-R94 IonicContact OE1-NE 3.81Å; E90-R94 PolarHBondContact OE1-NE 3.21Å; E90-R94 IonicContact OE1-NH2 3.8Å; E90-R94 PolarHBondContact OE1-NH2 3.27Å; R94-F97 PolarHBondContact O-N 3.36Å; R94-Y98 VanDerWaalsContact O-CD2 3.23Å; R94-Y98 WeakPolarHBondContact O-CD2 3.47Å; R94-Y98 PolarHBondContact O-N 3.23Å; R94-Y98 VanDerWaalsContact O-N 3.13Å; R94-E112 WeakPolarHBondContact CD-O 3.46Å; R94-E112 PolarHBondContact NH1-O 2.88Å
95R91.5Very high89.5Confident119 Ų11976.5 Ų76.545%0.44939%0.39SS..Hα-helixtrans-60.4-49.6178.6-75.6-176.9-67.4155.4-2.8112.2M91 L92 F97 Y98 E99 G115M91-R95 WeakPolarHBondContact O-CG 3.46Å; M91-R95 PolarHBondContact O-N 3.2Å; M91-R95 PolarHBondContact O-NE 3.01Å; L92-R95 PolarHBondContact O-N 2.95Å; R95-F97 VanDerWaalsContact C-N 3.26Å; R95-F97 PolarHBondContact O-N 3.25Å; R95-Y98 PolarHBondContact O-N 3.31Å; R95-E99 VanDerWaalsContact O-CB 3.3Å; R95-E99 WeakPolarHBondContact O-CB 3.34Å; R95-E99 PolarHBondContact O-N 3.12Å; R95-G115 VanDerWaalsContact CD-O 3.31Å; R95-G115 WeakPolarHBondContact CD-O 3.2Å; R95-G115 WeakPolarHBondContact CG-O 3.23Å
96K94Very high88.4Confident126 Ų12673.1 Ų73.155%0.54837%0.373SS..Hα-helixtrans-58.1-39.4177.9-75.1-179.1177.1-176.70112.2L92 C93 A100L92-K96 HydrophobicContact CD1-CD 4.43Å; L92-K96 HydrophobicContact CD1-CG 4.34Å; L92-K96 HydrophobicContact CG-CD 4.26Å; L92-K96 WeakPolarHBondContact O-CB 3.37Å; L92-K96 WeakPolarHBondContact O-CG 3.26Å; L92-K96 PolarHBondContact O-N 3.26Å; C93-K96 PolarHBondContact O-N 2.95Å; K96-A100 WeakPolarHBondContact O-CB 3.45Å; K96-A100 PolarHBondContact O-N 3.09Å; K96-A100 VanDerWaalsContact O-N 3.15Å
97F92.5Very high87.4Confident56 Ų5682.6 Ų82.625%0.24641%0.407CS..Hα-helixtrans-62.8-50.7178.1177.6-98.1000111.8C93 R94 R95 A100 H101 C349C93-F97 WeakPolarHBondContact O-CB 3.43Å; C93-F97 PolarHBondContact O-N 2.99Å; R94-F97 PolarHBondContact O-N 3.36Å; R95-F97 VanDerWaalsContact C-N 3.26Å; R95-F97 PolarHBondContact O-N 3.25Å; F97-A100 PolarHBondContact O-N 3.36Å; F97-H101 AromaticContact CD2-CE1 3.88Å; F97-H101 AromaticContact CD2-ND1 3.72Å; F97-H101 AromaticContact CE2-CE1 3.71Å; F97-H101 AromaticContact CE2-ND1 3.67Å; F97-H101 PolarHBondContact O-N 3.45Å; F97-H101 PolarHBondContact O-ND1 2.96Å; F97-C349 HydrophobicContact CD2-CB 3.62Å; F97-C349 HydrophobicContact CE2-CB 3.66Å; F97-C349 WeakPolarHBondContact CE2-O 3.25Å; F97-C349 HydrophobicContact CG-CB 4.16Å; F97-C349 HydrophobicContact CZ-CB 4.22Å; F97-C349 WeakPolarHBondContact CZ-O 3.37Å
98Y89Confident86.8Confident42 Ų4286 Ų8617%0.16543%0.431CS..Hα-helixtrans-75.9-23.7-178.5-69.7-64.2000114R94 R95 A100 H101 T106 L109 K113R94-Y98 VanDerWaalsContact O-CD2 3.23Å; R94-Y98 WeakPolarHBondContact O-CD2 3.47Å; R94-Y98 PolarHBondContact O-N 3.23Å; R94-Y98 VanDerWaalsContact O-N 3.13Å; R95-Y98 PolarHBondContact O-N 3.31Å; Y98-A100 VanDerWaalsContact C-N 3.35Å; Y98-H101 CarbonylContact O-C 3.59Å; Y98-H101 VanDerWaalsContact O-C 3.32Å; Y98-H101 PolarHBondContact O-N 3.21Å; Y98-T106 HydrophobicContact CD1-CG2 3.62Å; Y98-T106 HydrophobicContact CE1-CG2 4.4Å; Y98-T106 HydrophobicContact CG-CG2 4.22Å; Y98-L109 HydrophobicContact CD1-CD1 4.21Å; Y98-L109 HydrophobicContact CE1-CD1 3.48Å; Y98-L109 VanDerWaalsContact CE1-CD1 3.48Å; Y98-L109 HydrophobicContact CE2-CD1 3.91Å; Y98-L109 WeakPolarHBondContact OH-CD1 3.18Å; Y98-K113 VanDerWaalsContact CE2-O 3.31Å; Y98-K113 WeakPolarHBondContact CE2-O 3.41Å
99E88.4Confident86.1Confident156 Ų15682.9 Ų82.973%0.72942%0.418SS*.Hα-helixtrans-65.1-40.2169.1-174.1174.8-163.900111.2R95R95-E99 VanDerWaalsContact O-CB 3.3Å; R95-E99 WeakPolarHBondContact O-CB 3.34Å; R95-E99 PolarHBondContact O-N 3.12Å
100A90.9Very high85.6Confident72 Ų7280.1 Ų80.160%0.59541%0.409SS*.Hα-helixtrans-77.4-21.317600000113.9K96 F97 Y98 P102K96-A100 WeakPolarHBondContact O-CB 3.45Å; K96-A100 PolarHBondContact O-N 3.09Å; K96-A100 VanDerWaalsContact O-N 3.15Å; F97-A100 PolarHBondContact O-N 3.36Å; Y98-A100 VanDerWaalsContact C-N 3.35Å; A100-P102 VanDerWaalsContact C-CD 3.45Å; A100-P102 WeakPolarHBondContact O-CD 3.42Å
101H88.1Confident85Confident104 Ų10481.4 Ų81.448%0.48142%0.422SS..SBendtrans-124.269.1179.6-53.585.2000111.7F97 Y98 S103F97-H101 AromaticContact CD2-CE1 3.88Å; F97-H101 AromaticContact CD2-ND1 3.72Å; F97-H101 AromaticContact CE2-CE1 3.71Å; F97-H101 AromaticContact CE2-ND1 3.67Å; F97-H101 PolarHBondContact O-N 3.45Å; F97-H101 PolarHBondContact O-ND1 2.96Å; Y98-H101 CarbonylContact O-C 3.59Å; Y98-H101 VanDerWaalsContact O-C 3.32Å; Y98-H101 PolarHBondContact O-N 3.21Å; H101-S103 PolarHBondContact O-N 3.44Å
102P85.1Confident84.5Confident112 Ų11281.7 Ų81.773%0.72742%0.423SS*.  trans-63.5112.1175.8-17.631.3000110.2A100A100-P102 VanDerWaalsContact C-CD 3.45Å; A100-P102 WeakPolarHBondContact O-CD 3.42Å
103S80Confident84.1Confident50 Ų5080.3 Ų80.335%0.3541%0.414SS..  trans-122.2154.1170.575.50000109.9H101 Y105 T106H101-S103 PolarHBondContact O-N 3.44Å; S103-Y105 PolarHBondContact O-N 3.35Å; S103-T106 WeakPolarHBondContact O-CB 3.43Å; S103-T106 WeakPolarHBondContact O-CG2 3.3Å; S103-T106 PolarHBondContact O-N 2.82Å; S103-T106 PolarHBondContact O-OG1 3.45Å; S103-T106 PolarHBondContact OG-N 3.05Å
104C69.5Low83.6Confident100 Ų10079.9 Ų79.968%0.67640%0.402SS*.G310 helixtrans-57.8-30.6173.657.40000111.8T106 R107C104-T106 VanDerWaalsContact C-N 3.25Å; C104-T106 PolarHBondContact O-N 2.91Å; C104-R107 PolarHBondContact O-N 3.43Å
105Y71.6Confident83.3Confident163 Ų16379 Ų7964%0.63940%0.399SS*.G310 helixtrans-66.1-22.1175.8-57.5-75.3000113.4S103 R107 S108 L109S103-Y105 PolarHBondContact O-N 3.35Å; Y105-R107 PolarHBondContact O-N 3.12Å; Y105-R107 VanDerWaalsContact O-N 3.09Å; Y105-S108 PolarHBondContact O-N 2.92Å; Y105-S108 PolarHBondContact O-OG 3.45Å; Y105-L109 PolarHBondContact O-N 3.31Å
106T70.3Confident82.9Confident24 Ų2477.3 Ų77.315%0.14740%0.399CS..G310 helixtrans-56.6-31.2176.1590000112.4Y98 S103 C104 R114Y98-T106 HydrophobicContact CD1-CG2 3.62Å; Y98-T106 HydrophobicContact CE1-CG2 4.4Å; Y98-T106 HydrophobicContact CG-CG2 4.22Å; S103-T106 WeakPolarHBondContact O-CB 3.43Å; S103-T106 WeakPolarHBondContact O-CG2 3.3Å; S103-T106 PolarHBondContact O-N 2.82Å; S103-T106 PolarHBondContact O-OG1 3.45Å; S103-T106 PolarHBondContact OG-N 3.05Å; C104-T106 VanDerWaalsContact C-N 3.25Å; C104-T106 PolarHBondContact O-N 2.91Å; T106-R114 VanDerWaalsContact O-CZ 3.23Å; T106-R114 PolarHBondContact O-NE 3.27Å; T106-R114 PolarHBondContact O-NH2 3.31Å
107R72Confident82.3Confident221 Ų22172.8 Ų72.883%0.83438%0.381SS*.G310 helixtrans-73.8-28.2178.5-68.2-171.5-176.6-144.21.7113.6C104 Y105 R114C104-R107 PolarHBondContact O-N 3.43Å; Y105-R107 PolarHBondContact O-N 3.12Å; Y105-R107 VanDerWaalsContact O-N 3.09Å; R107-R114 PolarHBondContact O-NH2 3.38Å; R107-R114 VanDerWaalsContact O-NH2 3.11Å
108S80.8Confident81.7Confident75 Ų7574.3 Ų74.352%0.52439%0.394SS..THydrogen-bonded Turntrans-81.5-1917858.40000113.1Y105Y105-S108 PolarHBondContact O-N 2.92Å; Y105-S108 PolarHBondContact O-OG 3.45Å
109L79.6Confident81.1Confident23 Ų2374.6 Ų74.612%0.1240%0.398CS..SBendtrans-63.1142.2176.8-63.6178000112.1Y98 Y105 K113 R114Y98-L109 HydrophobicContact CD1-CD1 4.21Å; Y98-L109 HydrophobicContact CE1-CD1 3.48Å; Y98-L109 VanDerWaalsContact CE1-CD1 3.48Å; Y98-L109 HydrophobicContact CE2-CD1 3.91Å; Y98-L109 WeakPolarHBondContact OH-CD1 3.18Å; Y105-L109 PolarHBondContact O-N 3.31Å; L109-K113 HydrophobicContact CB-CB 4.13Å; L109-K113 HydrophobicContact CD2-CB 4.45Å; L109-K113 HydrophobicContact CD2-CD 3.9Å; L109-R114 PolarHBondContact O-NH2 3.4Å
110S82.6Confident80.3Confident32 Ų3270 Ų7022%0.22438%0.379CS..  trans-61152.3172.170.60000111.2E112 K113 R114S110-E112 PolarHBondContact O-N 3.07Å; S110-E112 VanDerWaalsContact O-N 3.11Å; S110-K113 PolarHBondContact O-N 2.73Å; S110-K113 PolarHBondContact OG-N 3.45Å; S110-R114 PolarHBondContact O-N 2.98Å
111P83.2Confident79.4Confident68 Ų6868 Ų6844%0.44236%0.36SS..Hα-helixtrans-54.5-33.3178.7-27.535.2000113.5R114 G115 D116 L117P111-R114 PolarHBondContact O-N 3.08Å; P111-G115 PolarHBondContact O-N 3.05Å; P111-D116 HydrophobicContact CB-CB 4.41Å; P111-D116 PolarHBondContact O-N 2.94Å; P111-L117 HydrophobicContact CB-CD2 3.84Å; P111-L117 HydrophobicContact CB-CG 4.16Å
112E83.7Confident78.5Confident9 Ų964 Ų644%0.04234%0.341CS..Hα-helixtrans-63.9-44.2175.3-170174.2-166.700111.9R73 R94 S110 G115 L117 Y122 R224R73-E112 IonicContact NH1-OE1 3.96Å; R73-E112 PolarHBondContact NH1-OE1 2.92Å; R73-E112 IonicContact NH1-OE2 3.47Å; R73-E112 PolarHBondContact NH1-OE2 3.17Å; R94-E112 WeakPolarHBondContact CD-O 3.46Å; R94-E112 PolarHBondContact NH1-O 2.88Å; S110-E112 PolarHBondContact O-N 3.07Å; S110-E112 VanDerWaalsContact O-N 3.11Å; E112-G115 PolarHBondContact O-N 3.13Å; E112-L117 HydrophobicContact CB-CD1 3.49Å; E112-L117 VanDerWaalsContact CB-CD1 3.49Å; E112-L117 HydrophobicContact CB-CG 4.3Å; E112-L117 HydrophobicContact CG-CD1 3.84Å; E112-Y122 PolarHBondContact OE1-OH 2.86Å; E112-R224 VanDerWaalsContact CD-NH2 3.3Å; E112-R224 IonicContact OE1-NH2 2.67Å; E112-R224 PolarHBondContact OE1-NH2 3.37Å; E112-R224 IonicContact OE2-CZ 2.89Å; E112-R224 IonicContact OE2-NH1 2.99Å; E112-R224 PolarHBondContact OE2-NH1 3.22Å; E112-R224 IonicContact OE2-NH2 3.21Å; E112-R224 PolarHBondContact OE2-NH2 3.3Å
113K84.7Confident77.8Confident42 Ų4261.2 Ų61.218%0.18332%0.321CS..Hα-helixtrans-69.8-37.2177.9-72.7-175.1-174.5178.90111.4Y98 L109 S110 G115 E302Y98-K113 VanDerWaalsContact CE2-O 3.31Å; Y98-K113 WeakPolarHBondContact CE2-O 3.41Å; L109-K113 HydrophobicContact CB-CB 4.13Å; L109-K113 HydrophobicContact CD2-CB 4.45Å; L109-K113 HydrophobicContact CD2-CD 3.9Å; S110-K113 PolarHBondContact O-N 2.73Å; S110-K113 PolarHBondContact OG-N 3.45Å; K113-G115 VanDerWaalsContact C-N 3.3Å; K113-G115 PolarHBondContact O-N 3.28Å; K113-E302 IonicContact NZ-OE2 2.8Å; K113-E302 PolarHBondContact NZ-OE2 2.94Å
114R84.5Confident77.3Confident64 Ų6460.7 Ų60.724%0.24231%0.314CS..Hα-helixtrans-71.1-26177.5-161.9172.1-46.9113.3-2113T106 R107 L109 S110 P111 D116T106-R114 VanDerWaalsContact O-CZ 3.23Å; T106-R114 PolarHBondContact O-NE 3.27Å; T106-R114 PolarHBondContact O-NH2 3.31Å; R107-R114 PolarHBondContact O-NH2 3.38Å; R107-R114 VanDerWaalsContact O-NH2 3.11Å; L109-R114 PolarHBondContact O-NH2 3.4Å; S110-R114 PolarHBondContact O-N 2.98Å; P111-R114 PolarHBondContact O-N 3.08Å; R114-D116 WeakPolarHBondContact CD-OD2 3.17Å; R114-D116 IonicContact CZ-OD2 3.35Å; R114-D116 IonicContact NE-OD2 2.77Å; R114-D116 IonicContact NH1-OD2 3.93Å; R114-D116 PolarHBondContact NH1-OD2 3.5Å
115G86.4Confident77.2Confident2 Ų260 Ų602%0.02130%0.301CS..THydrogen-bonded Turntrans90.519.1-175.500000113.8R95 P111 E112 K113 L117R95-G115 VanDerWaalsContact CD-O 3.31Å; R95-G115 WeakPolarHBondContact CD-O 3.2Å; R95-G115 WeakPolarHBondContact CG-O 3.23Å; P111-G115 PolarHBondContact O-N 3.05Å; E112-G115 PolarHBondContact O-N 3.13Å; K113-G115 VanDerWaalsContact C-N 3.3Å; K113-G115 PolarHBondContact O-N 3.28Å; G115-L117 VanDerWaalsContact C-N 3.31Å
116D83.4Confident76.7Confident82 Ų8259.4 Ų59.444%0.43930%0.304SS..  trans-89.85.4-177.8-62.5-22.8000112.8P111 R114P111-D116 HydrophobicContact CB-CB 4.41Å; P111-D116 PolarHBondContact O-N 2.94Å; R114-D116 WeakPolarHBondContact CD-OD2 3.17Å; R114-D116 IonicContact CZ-OD2 3.35Å; R114-D116 IonicContact NE-OD2 2.77Å; R114-D116 IonicContact NH1-OD2 3.93Å; R114-D116 PolarHBondContact NH1-OD2 3.5Å
117L81.9Confident76.6Confident32 Ų3265.7 Ų65.717%0.16833%0.332CS..  trans-83.6145.1177.2-70.5-175.3000112F87 M91 P111 E112 G115 T121F87-L117 HydrophobicContact CZ-CB 4.02Å; M91-L117 HydrophobicContact SD-CB 4.36Å; P111-L117 HydrophobicContact CB-CD2 3.84Å; P111-L117 HydrophobicContact CB-CG 4.16Å; E112-L117 HydrophobicContact CB-CD1 3.49Å; E112-L117 VanDerWaalsContact CB-CD1 3.49Å; E112-L117 HydrophobicContact CB-CG 4.3Å; E112-L117 HydrophobicContact CG-CD1 3.84Å; G115-L117 VanDerWaalsContact C-N 3.31Å; L117-T121 HydrophobicContact CD1-CG2 4.28Å
118T79.8Confident76.9Confident87 Ų8756.9 Ų56.953%0.53430%0.301SS..  trans-93.6156169.558.70000110.9N120 T121T118-N120 PolarHBondContact O-N 3.46Å; T118-T121 WeakPolarHBondContact O-CB 3.34Å; T118-T121 PolarHBondContact O-N 2.97Å; T118-T121 PolarHBondContact O-OG1 3.47Å
119L77.3Confident77.2Confident48 Ų4860.9 Ų60.925%0.25131%0.305SS..G310 helixtrans-58.3-24.4177.6-172.763.1000112.8F87 T121 Y122 V123F87-L119 HydrophobicContact CB-CD1 3.77Å; F87-L119 HydrophobicContact CD1-CB 3.89Å; F87-L119 HydrophobicContact CD1-CD1 3.71Å; F87-L119 HydrophobicContact CD1-CG 4.39Å; F87-L119 HydrophobicContact CD2-CD1 4.5Å; F87-L119 HydrophobicContact CE1-CB 4.15Å; F87-L119 HydrophobicContact CE1-CD1 4.48Å; F87-L119 VanDerWaalsContact CE1-N 3.33Å; F87-L119 HydrophobicContact CG-CD1 3.71Å; L119-T121 PolarHBondContact O-N 3.3Å; L119-Y122 WeakPolarHBondContact O-CA 3.37Å; L119-Y122 PolarHBondContact O-N 3.02Å; L119-V123 HydrophobicContact CD1-CG2 4.04Å; L119-V123 HydrophobicContact CD2-CG2 4.08Å; L119-V123 HydrophobicContact CG-CB 4.3Å; L119-V123 HydrophobicContact CG-CG2 3.74Å; L119-V123 PolarHBondContact O-N 3.11Å
120N71Confident77.7Confident59 Ų5959.9 Ų59.932%0.31630%0.3SS..G310 helixtrans-57.6-17.1175-65.910.5000113.9T118 Y122 V123 Q125T118-N120 PolarHBondContact O-N 3.46Å; N120-Y122 VanDerWaalsContact C-N 3.27Å; N120-V123 CarbonylContact C-O 3.57Å; N120-V123 VanDerWaalsContact CA-O 3.31Å; N120-V123 WeakPolarHBondContact CA-O 3.48Å; N120-Q125 PolarHBondContact ND2-OE1 2.85Å
121T72.4Confident78.2Confident32 Ų3260.6 Ų60.620%0.19630%0.304CS..G310 helixtrans-70.7-25.1171.4-52.70000112.3L117 T118 L119L117-T121 HydrophobicContact CD1-CG2 4.28Å; T118-T121 WeakPolarHBondContact O-CB 3.34Å; T118-T121 PolarHBondContact O-N 2.97Å; T118-T121 PolarHBondContact O-OG1 3.47Å; L119-T121 PolarHBondContact O-N 3.3Å
122Y70Confident78.7Confident20 Ų2057.4 Ų57.48%0.07828%0.284CS..THydrogen-bonded Turntrans-107.1-40.1178.4-61.5-89.5000112.1Y80 K81 F87 E112 L119 N120Y80-Y122 HydrophobicContact CD2-CD1 4.09Å; Y80-Y122 HydrophobicContact CD2-CD2 4.42Å; Y80-Y122 AromaticContact CD2-CE1 3.78Å; Y80-Y122 HydrophobicContact CD2-CE1 3.78Å; Y80-Y122 HydrophobicContact CD2-CE2 4.18Å; Y80-Y122 HydrophobicContact CD2-CG 4.39Å; Y80-Y122 AromaticContact CD2-CZ 3.83Å; Y80-Y122 HydrophobicContact CE2-CE1 4.22Å; Y80-Y122 HydrophobicContact CE2-CE2 4.44Å; Y80-Y122 AromaticContact CE2-CZ 3.95Å; K81-Y122 WeakPolarHBondContact CE-O 3.47Å; K81-Y122 PolarHBondContact NZ-O 3.1Å; F87-Y122 HydrophobicContact CD2-CD2 4.07Å; F87-Y122 AromaticContact CD2-CE2 3.89Å; F87-Y122 HydrophobicContact CD2-CE2 3.89Å; F87-Y122 AromaticContact CE2-CD2 3.68Å; F87-Y122 HydrophobicContact CE2-CD2 3.68Å; F87-Y122 AromaticContact CE2-CE2 3.21Å; F87-Y122 HydrophobicContact CE2-CE2 3.21Å; F87-Y122 HydrophobicContact CZ-CD2 4.11Å; F87-Y122 AromaticContact CZ-CE2 3.82Å; F87-Y122 HydrophobicContact CZ-CE2 3.82Å; E112-Y122 PolarHBondContact OE1-OH 2.86Å; L119-Y122 WeakPolarHBondContact O-CA 3.37Å; L119-Y122 PolarHBondContact O-N 3.02Å; N120-Y122 VanDerWaalsContact C-N 3.27Å
123V69.1Low79.2Confident52 Ų5258 Ų5832%0.31529%0.286SS..SBendtrans-99.7116.8-179.1-178.40000108.9K81 L119 N120 Q125K81-V123 HydrophobicContact CG-CG2 4.11Å; L119-V123 HydrophobicContact CD1-CG2 4.04Å; L119-V123 HydrophobicContact CD2-CG2 4.08Å; L119-V123 HydrophobicContact CG-CB 4.3Å; L119-V123 HydrophobicContact CG-CG2 3.74Å; L119-V123 PolarHBondContact O-N 3.11Å; N120-V123 CarbonylContact C-O 3.57Å; N120-V123 VanDerWaalsContact CA-O 3.31Å; N120-V123 WeakPolarHBondContact CA-O 3.48Å; V123-Q125 PolarHBondContact O-N 3.44Å
124L69.7Low79.7Confident39 Ų3956.3 Ų56.320%0.20428%0.279CS..PPolyproline II helixtrans-76.1122.4169.9-51.7172.6000107.3L130 S215 A218 R225L124-L130 HydrophobicContact CD1-CD2 4.16Å; L124-L130 HydrophobicContact CD2-CD2 4.01Å; L124-S215 WeakPolarHBondContact CD1-OG 3.44Å; L124-A218 HydrophobicContact CD1-CB 4.22Å; L124-R225 VanDerWaalsContact CD2-CZ 3.41Å
125Q67Low80.1Confident86 Ų8656.3 Ų56.340%0.40228%0.28SS..PPolyproline II helixtrans-73.3149172.2-58.6-170.2-64.200109.3N120 V123 E127 D128N120-Q125 PolarHBondContact ND2-OE1 2.85Å; V123-Q125 PolarHBondContact O-N 3.44Å; Q125-E127 PolarHBondContact O-N 2.8Å; Q125-D128 PolarHBondContact N-OD2 2.89Å; Q125-D128 WeakPolarHBondContact O-CB 3.45Å; Q125-D128 PolarHBondContact O-N 3.19Å
126E62.4Low80.3Confident151 Ų15159.5 Ų59.571%0.70629%0.291SS*.THydrogen-bonded Turntrans-62-29.5-177.8-66.4-176.1173.400111.6D128E126-D128 VanDerWaalsContact C-N 3.3Å; E126-D128 PolarHBondContact O-N 2.91Å
127E66.5Low80.6Confident155 Ų15558.2 Ų58.272%0.72428%0.28SS*.THydrogen-bonded Turntrans-79.2-10.7176.6-58.776.5-164.800113.7Q125 R129Q125-E127 PolarHBondContact O-N 2.8Å; E127-R129 PolarHBondContact O-N 2.95Å
128D78.3Confident80.5Confident37 Ų3760.2 Ų60.220%0.19829%0.291CS..PPolyproline II helixtrans-77.5122.3-176.2-79.3-28.1000111.7Q125 E126 P174 R225Q125-D128 PolarHBondContact N-OD2 2.89Å; Q125-D128 WeakPolarHBondContact O-CB 3.45Å; Q125-D128 PolarHBondContact O-N 3.19Å; E126-D128 VanDerWaalsContact C-N 3.3Å; E126-D128 PolarHBondContact O-N 2.91Å; D128-P174 WeakPolarHBondContact O-CD 3.44Å; D128-R225 VanDerWaalsContact CB-NH2 3.35Å; D128-R225 IonicContact OD1-NH1 3.36Å; D128-R225 IonicContact OD2-CZ 2.77Å; D128-R225 VanDerWaalsContact OD2-CZ 3.26Å; D128-R225 IonicContact OD2-NH1 3.32Å; D128-R225 PolarHBondContact OD2-NH1 2.82Å; D128-R225 IonicContact OD2-NH2 2.73Å; D128-R225 PolarHBondContact OD2-NH2 3.06Å
129R88.5Confident79.9Confident159 Ų15963.3 Ų63.360%0.630%0.3SS*.PPolyproline II helixtrans-82.7137.4169.6-61-171.2172.4-142.11.7111.6E127 L171 C172E127-R129 PolarHBondContact O-N 2.95Å; R129-L171 HydrophobicContact CB-CD1 3.55Å; R129-L171 HydrophobicContact CB-CD2 4.19Å; R129-L171 HydrophobicContact CB-CG 3.61Å; R129-L171 HydrophobicContact CG-CG 4.3Å; R129-C172 CarbonylContact C-O 3.58Å; R129-C172 WeakPolarHBondContact CA-O 3.38Å
130L89.6Confident79Confident2 Ų266 Ų661%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-89.3124.6177-53.2177.5000110.3L124 V132 C172 P174 L214 W223L124-L130 HydrophobicContact CD1-CD2 4.16Å; L124-L130 HydrophobicContact CD2-CD2 4.01Å; L130-V132 HydrophobicContact CB-CG2 4.48Å; L130-C172 PolarHBondContact N-O 2.92Å; L130-C172 PolarHBondContact O-N 2.77Å; L130-P174 HydrophobicContact CD1-CB 4.08Å; L130-P174 HydrophobicContact CG-CB 4.33Å; L130-L214 HydrophobicContact CD1-CB 3.56Å; L130-W223 HydrophobicContact CD2-CZ3 3.92Å
131S93.1Very high78.3Confident46 Ų4669 Ų6932%0.32233%0.326SS..EExtended strand (participates in β ladder)trans-79.3119.4169-176.30000109.4L170 P228 F229S131-L170 WeakPolarHBondContact CA-O 3.24Å; S131-P228 CarbonylContact O-C 3.59Å; S131-P228 WeakPolarHBondContact O-CA 3.29Å; S131-F229 PolarHBondContact O-N 2.73Å
132V93.7Very high77.4Confident2 Ų272.4 Ų72.41%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-120132.8-177.6178.50000109.5L130 F169 L170 L214 F229 L231L130-V132 HydrophobicContact CB-CG2 4.48Å; V132-F169 CarbonylContact O-C 3.53Å; V132-F169 WeakPolarHBondContact O-CA 3.48Å; V132-L170 HydrophobicContact CB-CB 4.44Å; V132-L170 PolarHBondContact N-O 3.29Å; V132-L170 PolarHBondContact O-N 3.37Å; V132-L214 HydrophobicContact CG2-CD1 3.72Å; V132-L214 HydrophobicContact CG2-CD2 4.3Å; V132-F229 CarbonylContact C-O 3.53Å; V132-F229 WeakPolarHBondContact CA-O 3.43Å; V132-F229 WeakPolarHBondContact CG1-O 3.44Å; V132-F229 HydrophobicContact CG2-CB 4.45Å; V132-L231 HydrophobicContact CG1-CD1 3.82Å; V132-L231 HydrophobicContact CG1-CG 4.12Å
133E94.9Very high76.6Confident20 Ų2079.6 Ų79.69%0.09337%0.372CS..EExtended strand (participates in β ladder)trans-101.1116.8167.9-178.6-165.7164.200108.7R135 P167 F169 P228 F229 K230 L231E133-R135 IonicContact OE1-CZ 3.93Å; E133-R135 IonicContact OE1-NE 3.6Å; E133-R135 PolarHBondContact OE1-NE 3.24Å; E133-R135 IonicContact OE1-NH2 2.73Å; E133-R135 PolarHBondContact OE1-NH2 2.99Å; E133-P167 HydrophobicContact CG-CB 3.97Å; E133-F169 HydrophobicContact CB-CD1 4.03Å; E133-F169 HydrophobicContact CB-CE1 3.81Å; E133-F169 HydrophobicContact CG-CD1 4.2Å; E133-F169 HydrophobicContact CG-CE1 3.67Å; E133-F169 HydrophobicContact CG-CZ 4.01Å; E133-P228 HydrophobicContact CB-CB 3.98Å; E133-F229 PolarHBondContact N-O 3.32Å; E133-K230 CarbonylContact O-C 3.59Å; E133-K230 WeakPolarHBondContact O-CA 3.4Å; E133-L231 PolarHBondContact O-N 3.06Å
134L93.6Very high75.5Confident7 Ų784 Ų844%0.03739%0.393CS..EExtended strand (participates in β ladder)trans-103.2118176.6-174.165.8000110.3P167 T168 I181 I185 L231 F233L134-P167 WeakPolarHBondContact O-CA 3.37Å; L134-T168 PolarHBondContact N-O 2.88Å; L134-T168 PolarHBondContact O-N 3.37Å; L134-I181 HydrophobicContact CD1-CG2 4.11Å; L134-I181 HydrophobicContact CD2-CG2 4.15Å; L134-I185 HydrophobicContact CD1-CD1 4.38Å; L134-I185 HydrophobicContact CD2-CD1 4.03Å; L134-I185 HydrophobicContact CD2-CG1 3.83Å; L134-L231 WeakPolarHBondContact CA-O 3.15Å; L134-L231 HydrophobicContact CD1-CB 4.06Å; L134-F233 HydrophobicContact CD1-CB 4.38Å; L134-F233 HydrophobicContact CD1-CD1 3.66Å; L134-F233 HydrophobicContact CD1-CE1 4.42Å; L134-F233 HydrophobicContact CD1-CG 4.39Å; L134-F233 HydrophobicContact CD2-CD1 4.22Å; L134-F233 HydrophobicContact CD2-CE1 4.33Å; L134-F233 HydrophobicContact CG-CD1 3.63Å; L134-F233 HydrophobicContact CG-CE1 3.89Å
135R93.1Very high74.4Confident65 Ų6589.7 Ų89.725%0.24542%0.424CS..EExtended strand (participates in β ladder)trans-122.7137.5-176.7-166.4179.5-69-162.1-5.9111.9E133 E141 L231 Y232 F233E133-R135 IonicContact OE1-CZ 3.93Å; E133-R135 IonicContact OE1-NE 3.6Å; E133-R135 PolarHBondContact OE1-NE 3.24Å; E133-R135 IonicContact OE1-NH2 2.73Å; E133-R135 PolarHBondContact OE1-NH2 2.99Å; R135-E141 IonicContact NH1-OE2 3.38Å; R135-L231 PolarHBondContact N-O 2.86Å; R135-Y232 HydrophobicContact CB-CD1 4.1Å; R135-Y232 HydrophobicContact CB-CE1 4.28Å; R135-Y232 CarbonylContact O-C 3.5Å; R135-Y232 VanDerWaalsContact O-CA 3.26Å; R135-Y232 WeakPolarHBondContact O-CA 3.44Å; R135-F233 VanDerWaalsContact C-CE1 3.45Å; R135-F233 VanDerWaalsContact O-CD1 3.22Å; R135-F233 WeakPolarHBondContact O-CD1 3.24Å; R135-F233 PolarHBondContact O-N 3.43Å
136Y91.5Very high73Confident69 Ų6988.7 Ų88.727%0.27144%0.436SS..EExtended strand (participates in β ladder)trans-68.3133.6171.7-176.7-106.5000109.9N138 I165 F233 I235Y136-N138 PolarHBondContact O-N 3.12Å; Y136-I165 HydrophobicContact CD1-CD1 4.19Å; Y136-I165 HydrophobicContact CD2-CD1 4.32Å; Y136-I165 HydrophobicContact CG-CD1 3.96Å; Y136-F233 HydrophobicContact CD2-CD2 4.03Å; Y136-F233 AromaticContact CD2-CE2 3.58Å; Y136-F233 HydrophobicContact CD2-CE2 3.58Å; Y136-F233 AromaticContact CD2-CZ 3.89Å; Y136-F233 HydrophobicContact CD2-CZ 3.89Å; Y136-F233 HydrophobicContact CE2-CE2 4.41Å; Y136-F233 HydrophobicContact CG-CE2 4.46Å; Y136-F233 HydrophobicContact CG-CZ 4.36Å; Y136-F233 VanDerWaalsContact N-CE1 3.33Å; Y136-I235 HydrophobicContact CE2-CD1 4.46Å
137W88.5Confident71.7Confident54 Ų5487.5 Ų87.521%0.20544%0.443CS..  trans-74.7107.3177.8179.7-98.6000111F201 V204 Y232 F233 T234W137-F201 HydrophobicContact CB-CE1 4.46Å; W137-F201 HydrophobicContact CB-CZ 3.68Å; W137-F201 AromaticContact CD2-CE2 3.91Å; W137-F201 HydrophobicContact CD2-CE2 3.91Å; W137-F201 AromaticContact CD2-CZ 3.77Å; W137-F201 HydrophobicContact CD2-CZ 3.77Å; W137-F201 AromaticContact CE3-CE2 3.65Å; W137-F201 HydrophobicContact CE3-CE2 3.65Å; W137-F201 AromaticContact CE3-CZ 3.93Å; W137-F201 HydrophobicContact CE3-CZ 3.93Å; W137-F201 HydrophobicContact CG-CE2 4.3Å; W137-F201 AromaticContact CG-CZ 3.66Å; W137-F201 HydrophobicContact CG-CZ 3.66Å; W137-F201 HydrophobicContact CZ3-CE2 4.18Å; W137-V204 HydrophobicContact CH2-CG2 3.46Å; W137-V204 VanDerWaalsContact CH2-CG2 3.46Å; W137-V204 HydrophobicContact CZ2-CG2 3.57Å; W137-V204 HydrophobicContact CZ3-CG2 4.26Å; W137-Y232 AromaticContact CE3-CD1 3.79Å; W137-Y232 HydrophobicContact CE3-CD1 3.79Å; W137-Y232 HydrophobicContact CE3-CD2 4.48Å; W137-Y232 HydrophobicContact CE3-CE1 4.24Å; W137-Y232 AromaticContact CE3-CG 3.91Å; W137-Y232 HydrophobicContact CE3-CG 3.91Å; W137-Y232 HydrophobicContact CZ3-CD1 4.37Å; W137-Y232 HydrophobicContact CZ3-CE1 4.45Å; W137-Y232 HydrophobicContact CZ3-CG 4.41Å; W137-F233 WeakPolarHBondContact CB-O 3.45Å; W137-F233 PolarHBondContact N-O 3.36Å; W137-T234 HydrophobicContact CB-CG2 3.68Å; W137-T234 HydrophobicContact CG-CG2 4.09Å
138N80.2Confident70.1Confident74 Ų7485.9 Ų85.940%0.39645%0.449SS..  trans-102.4114.9173.2-172.7-4.1000110.1Y136 N140 E141Y136-N138 PolarHBondContact O-N 3.12Å; N138-N140 PolarHBondContact O-N 3.09Å; N138-N140 VanDerWaalsContact O-N 3.1Å; N138-N140 WeakPolarHBondContact OD1-CB 3.5Å; N138-N140 PolarHBondContact OD1-N 3Å; N138-E141 HydrophobicContact CB-CG 4.36Å; N138-E141 PolarHBondContact O-N 2.98Å
139Q67.8Low68.4Low152 Ų15289.2 Ų89.271%0.7148%0.476SS*.G310 helixtrans-60.8-19.8176.9-64.3-177.11500112.7
140N58.7Low65.9Low105 Ų10591.7 Ų91.756%0.56149%0.491SS*.G310 helixtrans-81.4-18-177.4-67-16.4000114.3N138 H142 K143N138-N140 PolarHBondContact O-N 3.09Å; N138-N140 VanDerWaalsContact O-N 3.1Å; N138-N140 WeakPolarHBondContact OD1-CB 3.5Å; N138-N140 PolarHBondContact OD1-N 3Å; N140-H142 PolarHBondContact O-N 3.45Å; N140-K143 PolarHBondContact O-N 3.08Å
141E56.5Low63.6Low121 Ų12197.9 Ų97.957%0.56553%0.529SS*.G310 helixtrans-69.5-21.7178.3-72.6-149.9145.500112.7R135 N138 K143R135-E141 IonicContact NH1-OE2 3.38Å; N138-E141 HydrophobicContact CB-CG 4.36Å; N138-E141 PolarHBondContact O-N 2.98Å; E141-K143 PolarHBondContact O-N 3.49Å
142H53.3Low60.8Low105 Ų105101.5 Ų101.549%0.48655%0.554SS.*G310 helixtrans-83.9-5-179.9-96.3-89.4000115N140 R294N140-H142 PolarHBondContact O-N 3.45Å; H142-R294 PolarHBondContact CE1-NH1 3.39Å
143K53.3Low58.5Low170 Ų170106.6 Ų106.674%0.73959%0.59SS**THydrogen-bonded Turntrans-102.4-16.8179.4-73.5-176.8177.7177.80114.8N140 E141N140-K143 PolarHBondContact O-N 3.08Å; E141-K143 PolarHBondContact O-N 3.49Å
144N46.2Very low55.8Low145 Ų145114.6 Ų114.678%0.77563%0.627SS**SBendtrans-92.85.9-171.6-85.6-1.4000116.4
145N45.5Very low53.1Low159 Ų159120.3 Ų120.385%0.8566%0.663SS**SBendtrans-107.978170.3-81.8-8.8000110.2
146G38.6Very low50.2Low64 Ų64125 Ų12566%0.6669%0.693SS**SBendtrans152.8103.3168.700000115.3
147C35.3Very low48Very low126 Ų126126.2 Ų126.285%0.85171%0.711SS**  trans70.9106.6156.6-139.10000118.5S149C147-S149 PolarHBondContact O-N 2.9Å
148S31.8Very low45.7Very low121 Ų121131.6 Ų131.685%0.84674%0.742SS**  trans-48.2114.2160.3-570000112.6
149S41.9Very low43.4Very low108 Ų108133.2 Ų133.276%0.75576%0.759SS**  trans-147.2109.6157.5-740000109.6C147 T151C147-S149 PolarHBondContact O-N 2.9Å; S149-T151 PolarHBondContact O-N 3.11Å
150K36.6Very low42Very low211 Ų211129.8 Ų129.892%0.91775%0.751SS**  trans-69.4112.1172.5-62.6170.7177.8177.20108.6
151T41.8Very low41.3Very low131 Ų131132.9 Ų132.980%0.80477%0.765SS**  trans-153.7119.315248.80000110.3S149S149-T151 PolarHBondContact O-N 3.11Å
152S34.3Very low40.9Very low123 Ų123133.7 Ų133.786%0.8677%0.773SS**  trans-62127.4171.846.10000112.9
153S44.9Very low41.1Very low109 Ų109133.7 Ų133.776%0.76278%0.782SS**  trans-162.2127.6152.550.40000110.4
154Q37.8Very low41.8Very low187 Ų187131.9 Ų131.987%0.87479%0.785SS**  trans-51.1127.6-179.8-64.9156.217.700112.4
155T38.6Very low43.4Very low128 Ų128127.4 Ų127.479%0.78576%0.76SS**  trans-143.5112.9152.954.90000108.8S157T155-S157 PolarHBondContact O-N 3.16Å
156D32.3Very low45.3Very low163 Ų163124.1 Ų124.187%0.87275%0.748SS**  trans-57.9110173.3-62-55.4000110.9
157S43.6Very low47.8Very low95 Ų95123.2 Ų123.266%0.66473%0.73SS**  trans-155.6109.2163.4-70.70000106.3T155 S159T155-S157 PolarHBondContact O-N 3.16Å; S157-S159 PolarHBondContact O-N 2.95Å; S157-S159 PolarHBondContact O-OG 3.36Å
158I41Very low50.5Low166 Ų166118.9 Ų118.985%0.85170%0.7SS**  trans-45.9101.5173.5-65.1162.8000107.5P160I158-P160 HydrophobicContact CG2-CB 4.4Å; I158-P160 VanDerWaalsContact CG2-CD 3.48Å; I158-P160 HydrophobicContact CG2-CG 3.53Å; I158-P160 WeakPolarHBondContact O-CD 3.45Å
159S32.7Very low53.5Low108 Ų108119.1 Ų119.176%0.75569%0.686SS**  trans-113.670.7169.244.70000106.7S157 I161S157-S159 PolarHBondContact O-N 2.95Å; S157-S159 PolarHBondContact O-OG 3.36Å; S159-I161 PolarHBondContact O-N 3.13Å
160P36.9Very low56Low81 Ų81115.7 Ų115.753%0.52666%0.659SS.*  trans-86.2114.4-179.134.3-22.1000106.6I158 L162I158-P160 HydrophobicContact CG2-CB 4.4Å; I158-P160 VanDerWaalsContact CG2-CD 3.48Å; I158-P160 HydrophobicContact CG2-CG 3.53Å; I158-P160 WeakPolarHBondContact O-CD 3.45Å; P160-L162 PolarHBondContact O-N 3.04Å
161I43.9Very low58.7Low169 Ų169110.6 Ų110.687%0.86764%0.641SS**  44.959.2129.4-43.4165000113.5S159S159-I161 PolarHBondContact O-N 3.13Å
162L49.9Very low61.1Low138 Ų138104.7 Ų104.772%0.72361%0.605SS**  trans-94.7123.6161.9-87.6169.2000108.1P160 V164P160-L162 PolarHBondContact O-N 3.04Å; L162-V164 PolarHBondContact O-N 3.41Å
163P56.2Low63.9Low105 Ų105101.7 Ų101.768%0.68258%0.583SS**  trans-52.2137.4174.8-20.830000109.5I165P163-I165 PolarHBondContact O-N 2.63Å
164V68.8Low66Low133 Ų13396.9 Ų96.981%0.80655%0.549SS*.  trans-53.7105.9172.4177.30000107.8L162 P166L162-V164 PolarHBondContact O-N 3.41Å; V164-P166 VanDerWaalsContact O-CD 3.23Å; V164-P166 WeakPolarHBondContact O-CD 3.36Å
165I78.4Confident68.6Low50 Ų5093 Ų9326%0.25653%0.531SS..  trans-71.2114-178.1-59.3175.8000106.9Y136 P163 F189Y136-I165 HydrophobicContact CD1-CD1 4.19Å; Y136-I165 HydrophobicContact CD2-CD1 4.32Å; Y136-I165 HydrophobicContact CG-CD1 3.96Å; P163-I165 PolarHBondContact O-N 2.63Å; I165-F189 HydrophobicContact CD1-CE1 4.26Å; I165-F189 HydrophobicContact CD1-CZ 4.4Å; I165-F189 HydrophobicContact CG2-CZ 4.2Å
166P85.9Confident71.2Confident90 Ų9088.8 Ų88.858%0.58450%0.503SS*.  trans-65.5147.9-179.427.4-34000110.6V164V164-P166 VanDerWaalsContact O-CD 3.23Å; V164-P166 WeakPolarHBondContact O-CD 3.36Å
167P90.6Very high74.2Confident46 Ų4682.4 Ų82.430%0.29947%0.47SS..  trans-60.7143.7173.827.2-33.7000110.2E133 L134 F169E133-P167 HydrophobicContact CG-CB 3.97Å; L134-P167 WeakPolarHBondContact O-CA 3.37Å; P167-F169 HydrophobicContact CB-CE2 4.35Å; P167-F169 HydrophobicContact CG-CE2 4.11Å; P167-F169 HydrophobicContact CG-CZ 4.4Å
168T92.6Very high76.6Confident34 Ų3477.9 Ų77.921%0.20944%0.438CS..EExtended strand (participates in β ladder)trans-105.1124.2176.7-54.50000109.2L134 L170 K188L134-T168 PolarHBondContact N-O 2.88Å; L134-T168 PolarHBondContact O-N 3.37Å; T168-L170 HydrophobicContact CG2-CD2 3.87Å; T168-L170 HydrophobicContact CG2-CG 4.26Å; T168-K188 PolarHBondContact OG1-NZ 3.29Å
169F94.9Very high79.1Confident126 Ų12670.9 Ų70.955%0.55341%0.407SS*.EExtended strand (participates in β ladder)trans-95.2129175.2-63.1-88.1000109.6V132 E133 P167 P228V132-F169 CarbonylContact O-C 3.53Å; V132-F169 WeakPolarHBondContact O-CA 3.48Å; E133-F169 HydrophobicContact CB-CD1 4.03Å; E133-F169 HydrophobicContact CB-CE1 3.81Å; E133-F169 HydrophobicContact CG-CD1 4.2Å; E133-F169 HydrophobicContact CG-CE1 3.67Å; E133-F169 HydrophobicContact CG-CZ 4.01Å; P167-F169 HydrophobicContact CB-CE2 4.35Å; P167-F169 HydrophobicContact CG-CE2 4.11Å; P167-F169 HydrophobicContact CG-CZ 4.4Å; F169-P228 HydrophobicContact CD1-CB 4.37Å; F169-P228 HydrophobicContact CD1-CG 4.17Å; F169-P228 HydrophobicContact CE1-CB 4.46Å; F169-P228 HydrophobicContact CE1-CG 4.12Å
170L94.2Very high82.1Confident37 Ų3770.4 Ų70.419%0.19439%0.393CS..EExtended strand (participates in β ladder)trans-123143.1-178.3-57.1172.6000109.4S131 V132 T168 C172 L184S131-L170 WeakPolarHBondContact CA-O 3.24Å; V132-L170 HydrophobicContact CB-CB 4.44Å; V132-L170 PolarHBondContact N-O 3.29Å; V132-L170 PolarHBondContact O-N 3.37Å; T168-L170 HydrophobicContact CG2-CD2 3.87Å; T168-L170 HydrophobicContact CG2-CG 4.26Å; L170-C172 VanDerWaalsContact CB-SG 3.5Å; L170-L184 HydrophobicContact CD1-CD2 3.56Å; L170-L184 HydrophobicContact CD2-CD2 4.15Å
171L94.1Very high84.9Confident104 Ų10466.7 Ų66.755%0.54537%0.369SS..EExtended strand (participates in β ladder)trans-111.399.1170.7-171.666.6000108.4R129R129-L171 HydrophobicContact CB-CD1 3.55Å; R129-L171 HydrophobicContact CB-CD2 4.19Å; R129-L171 HydrophobicContact CB-CG 3.61Å; R129-L171 HydrophobicContact CG-CG 4.3Å
172C92.3Very high87.3Confident7 Ų759.5 Ų59.55%0.04733%0.332CS..EExtended strand (participates in β ladder)trans-107.3144.7-165.1-610000112.2R129 L130 L170 L176 L214R129-C172 CarbonylContact C-O 3.58Å; R129-C172 WeakPolarHBondContact CA-O 3.38Å; L130-C172 PolarHBondContact N-O 2.92Å; L130-C172 PolarHBondContact O-N 2.77Å; L170-C172 VanDerWaalsContact CB-SG 3.5Å; C172-L176 HydrophobicContact CB-CB 4.4Å; C172-L176 HydrophobicContact CB-CD2 3.82Å; C172-L214 HydrophobicContact CB-CD1 3.39Å
173P92.7Very high89.4Confident60 Ų6059 Ų5939%0.3932%0.324SS..  trans-59.6148.5161.4-20.132.9000111.3E175 L176P173-E175 WeakPolarHBondContact CB-OE2 3.08Å; P173-E175 PolarHBondContact O-N 3.43Å; P173-L176 VanDerWaalsContact O-CB 3.3Å; P173-L176 WeakPolarHBondContact O-CB 3.39Å; P173-L176 PolarHBondContact O-N 3.35Å
174P89.8Confident91.2Very high7 Ų757.5 Ų57.55%0.04531%0.309CS..THydrogen-bonded Turntrans-64.8-25.3-177.918.3-21.9000113.9D128 L130 L176 L214 S215D128-P174 WeakPolarHBondContact O-CD 3.44Å; L130-P174 HydrophobicContact CD1-CB 4.08Å; L130-P174 HydrophobicContact CG-CB 4.33Å; P174-L176 VanDerWaalsContact C-N 3.27Å; P174-L176 PolarHBondContact O-N 3.21Å; P174-L214 PolarHBondContact O-N 3.44Å; P174-S215 WeakPolarHBondContact O-CB 3.45Å; P174-S215 PolarHBondContact O-N 3.41Å
175E90.5Very high92.4Very high105 Ų10551.3 Ų51.349%0.49127%0.271SS..THydrogen-bonded Turntrans-79.7-7.1179.4-53.872.7-157.500113.1P173 T177P173-E175 WeakPolarHBondContact CB-OE2 3.08Å; P173-E175 PolarHBondContact O-N 3.43Å; E175-T177 PolarHBondContact O-N 3Å; E175-T177 VanDerWaalsContact O-N 3.17Å
176L93.6Very high93.1Very high41 Ų4151.7 Ų51.722%0.21527%0.27CS..  trans-61122.5178.8-169.180.2000109.1C172 P173 P174 H180 I181 T213 L214C172-L176 HydrophobicContact CB-CB 4.4Å; C172-L176 HydrophobicContact CB-CD2 3.82Å; P173-L176 VanDerWaalsContact O-CB 3.3Å; P173-L176 WeakPolarHBondContact O-CB 3.39Å; P173-L176 PolarHBondContact O-N 3.35Å; P174-L176 VanDerWaalsContact C-N 3.27Å; P174-L176 PolarHBondContact O-N 3.21Å; L176-H180 HydrophobicContact CD1-CB 3.48Å; L176-H180 VanDerWaalsContact CD1-CB 3.48Å; L176-H180 HydrophobicContact CG-CB 3.84Å; L176-I181 HydrophobicContact CD2-CG1 4.02Å; L176-T213 CarbonylContact O-C 3.51Å; L176-T213 WeakPolarHBondContact O-CA 3.45Å; L176-L214 HydrophobicContact CB-CD1 4.01Å; L176-L214 HydrophobicContact CB-CG 4.33Å; L176-L214 HydrophobicContact CD2-CD1 3.91Å; L176-L214 HydrophobicContact CG-CD1 4.48Å; L176-L214 WeakPolarHBondContact O-CG 3.43Å; L176-L214 PolarHBondContact O-N 3.2Å
177T95.2Very high93.5Very high28 Ų2853.5 Ų53.517%0.17227%0.272CS..BIsolated β-bridgetrans-85161.6-179.364.60000112.6E175 G179 H180 I181 S210 Y212 T213E175-T177 PolarHBondContact O-N 3Å; E175-T177 VanDerWaalsContact O-N 3.17Å; T177-G179 PolarHBondContact O-N 2.64Å; T177-H180 PolarHBondContact N-ND1 3.02Å; T177-H180 VanDerWaalsContact N-ND1 3.19Å; T177-H180 WeakPolarHBondContact O-CB 3.45Å; T177-H180 PolarHBondContact O-N 3.36Å; T177-H180 PolarHBondContact OG1-N 3.09Å; T177-H180 PolarHBondContact OG1-ND1 3.44Å; T177-I181 PolarHBondContact O-N 3.3Å; T177-S210 WeakPolarHBondContact CB-O 3.47Å; T177-Y212 CarbonylContact C-O 3.53Å; T177-Y212 WeakPolarHBondContact CA-O 3.38Å; T177-T213 HydrophobicContact CG2-CG2 4.26Å
178V94.1Very high93.6Very high0 Ų056.3 Ų56.30%028%0.28CS..Hα-helixtrans-54.5-40168.3172.90000111H180 I181 E182 V200 F208 Y212 L217V178-H180 VanDerWaalsContact C-N 3.27Å; V178-H180 PolarHBondContact O-N 3.34Å; V178-I181 WeakPolarHBondContact O-CB 3.42Å; V178-I181 PolarHBondContact O-N 3.15Å; V178-E182 HydrophobicContact CG1-CG 4.39Å; V178-E182 WeakPolarHBondContact O-CG 3.36Å; V178-E182 PolarHBondContact O-N 3.34Å; V178-V200 HydrophobicContact CG1-CB 4.01Å; V178-F208 HydrophobicContact CB-CB 4.42Å; V178-F208 HydrophobicContact CG1-CB 4.04Å; V178-F208 HydrophobicContact CG2-CB 3.84Å; V178-F208 HydrophobicContact CG2-CD2 4.2Å; V178-F208 HydrophobicContact CG2-CG 4.29Å; V178-Y212 PolarHBondContact N-O 3.17Å; V178-L217 HydrophobicContact CG2-CD1 3.68Å; V178-L217 HydrophobicContact CG2-CG 4.47Å
179G94.3Very high93.5Very high19 Ų1957.9 Ų57.920%0.19628%0.284CS..Hα-helixtrans-59.4-34.6174.900000113.5T177 K183 S210T177-G179 PolarHBondContact O-N 2.64Å; G179-K183 WeakPolarHBondContact O-CB 3.29Å; G179-K183 PolarHBondContact O-N 3.3Å; G179-S210 PolarHBondContact N-O 3.05Å
180H95.6Very high93.4Very high99 Ų9959 Ų5946%0.45830%0.296SS..Hα-helixtrans-68.4-38.4172.6-60.9146000112.3L176 T177 V178 K183 L184L176-H180 HydrophobicContact CD1-CB 3.48Å; L176-H180 VanDerWaalsContact CD1-CB 3.48Å; L176-H180 HydrophobicContact CG-CB 3.84Å; T177-H180 PolarHBondContact N-ND1 3.02Å; T177-H180 VanDerWaalsContact N-ND1 3.19Å; T177-H180 WeakPolarHBondContact O-CB 3.45Å; T177-H180 PolarHBondContact O-N 3.36Å; T177-H180 PolarHBondContact OG1-N 3.09Å; T177-H180 PolarHBondContact OG1-ND1 3.44Å; V178-H180 VanDerWaalsContact C-N 3.27Å; V178-H180 PolarHBondContact O-N 3.34Å; H180-K183 PolarHBondContact O-N 3.03Å; H180-L184 WeakPolarHBondContact O-CB 3.31Å; H180-L184 PolarHBondContact O-N 3.11Å
181I95Very high93.3Very high2 Ų258.5 Ų58.51%0.0129%0.293CS..Hα-helixtrans-65.8-44.5175.4-60.5173000110.6L134 L176 T177 V178 K183 L184 I185 V200 L214 L231L134-I181 HydrophobicContact CD1-CG2 4.11Å; L134-I181 HydrophobicContact CD2-CG2 4.15Å; L176-I181 HydrophobicContact CD2-CG1 4.02Å; T177-I181 PolarHBondContact O-N 3.3Å; V178-I181 WeakPolarHBondContact O-CB 3.42Å; V178-I181 PolarHBondContact O-N 3.15Å; I181-K183 VanDerWaalsContact C-N 3.3Å; I181-K183 PolarHBondContact O-N 2.8Å; I181-L184 WeakPolarHBondContact O-CB 3.46Å; I181-L184 PolarHBondContact O-N 2.96Å; I181-I185 HydrophobicContact CG2-CD1 4Å; I181-I185 WeakPolarHBondContact O-CG1 3.21Å; I181-I185 PolarHBondContact O-N 3.21Å; I181-V200 HydrophobicContact CG2-CG1 4.45Å; I181-V200 HydrophobicContact CG2-CG2 4.01Å; I181-L214 HydrophobicContact CD1-CD1 4.43Å; I181-L214 HydrophobicContact CD1-CD2 3.51Å; I181-L214 HydrophobicContact CD1-CG 4.14Å; I181-L231 HydrophobicContact CD1-CD1 3.66Å
182E94.3Very high93.1Very high19 Ų1958.9 Ų58.99%0.08929%0.29CS..Hα-helixtrans-59.1-42.8174.1-68.2174.9-156.900111.4V178 I185 R186 V198 V200 S210V178-E182 HydrophobicContact CG1-CG 4.39Å; V178-E182 WeakPolarHBondContact O-CG 3.36Å; V178-E182 PolarHBondContact O-N 3.34Å; E182-I185 PolarHBondContact O-N 3.05Å; E182-R186 WeakPolarHBondContact O-CG 3.23Å; E182-R186 PolarHBondContact O-N 3.32Å; E182-R186 IonicContact OE2-CZ 3.26Å; E182-R186 IonicContact OE2-NH1 2.8Å; E182-R186 PolarHBondContact OE2-NH1 2.77Å; E182-R186 IonicContact OE2-NH2 3.73Å; E182-R186 PolarHBondContact OE2-NH2 3.39Å; E182-V198 HydrophobicContact CB-CG1 4.31Å; E182-V198 HydrophobicContact CG-CG1 4.34Å; E182-V200 HydrophobicContact CG-CG2 3.86Å; E182-S210 PolarHBondContact OE1-OG 3.5Å
183K94.1Very high92.9Very high128 Ų12863.6 Ų63.656%0.55732%0.32SS*.Hα-helixtrans-61.9-42.9175.6-173.9178.4179.7-179.20111.5G179 H180 I181 I185 R186 M187G179-K183 WeakPolarHBondContact O-CB 3.29Å; G179-K183 PolarHBondContact O-N 3.3Å; H180-K183 PolarHBondContact O-N 3.03Å; I181-K183 VanDerWaalsContact C-N 3.3Å; I181-K183 PolarHBondContact O-N 2.8Å; K183-I185 VanDerWaalsContact C-N 3.35Å; K183-I185 PolarHBondContact O-N 3Å; K183-R186 PolarHBondContact O-N 2.99Å; K183-M187 HydrophobicContact CG-SD 4.35Å; K183-M187 WeakPolarHBondContact O-CG 3.49Å; K183-M187 PolarHBondContact O-N 3.45Å
184L94.6Very high92.7Very high72 Ų7262.9 Ų62.938%0.37732%0.317SS..Hα-helixtrans-58.5-45.6175177.169.2000111.4L170 H180 I181 M187 K188L170-L184 HydrophobicContact CD1-CD2 3.56Å; L170-L184 HydrophobicContact CD2-CD2 4.15Å; H180-L184 WeakPolarHBondContact O-CB 3.31Å; H180-L184 PolarHBondContact O-N 3.11Å; I181-L184 WeakPolarHBondContact O-CB 3.46Å; I181-L184 PolarHBondContact O-N 2.96Å; L184-M187 PolarHBondContact O-N 3.5Å; L184-K188 WeakPolarHBondContact O-CB 3.33Å; L184-K188 PolarHBondContact O-N 3.31Å
185I93.7Very high92.7Very high3 Ų365.8 Ų65.82%0.01533%0.33CS..Hα-helixtrans-62.4-47.5177.2-66.2160.5000110.4L134 I181 E182 K183 M187 K188 F189 V198 V200 F233 I235L134-I185 HydrophobicContact CD1-CD1 4.38Å; L134-I185 HydrophobicContact CD2-CD1 4.03Å; L134-I185 HydrophobicContact CD2-CG1 3.83Å; I181-I185 HydrophobicContact CG2-CD1 4Å; I181-I185 WeakPolarHBondContact O-CG1 3.21Å; I181-I185 PolarHBondContact O-N 3.21Å; E182-I185 PolarHBondContact O-N 3.05Å; K183-I185 VanDerWaalsContact C-N 3.35Å; K183-I185 PolarHBondContact O-N 3Å; I185-M187 VanDerWaalsContact C-N 3.28Å; I185-M187 PolarHBondContact O-N 2.79Å; I185-K188 PolarHBondContact O-N 3.35Å; I185-F189 HydrophobicContact CG2-CD2 3.84Å; I185-F189 HydrophobicContact CG2-CE2 4.16Å; I185-F189 WeakPolarHBondContact O-CD2 3.49Å; I185-F189 PolarHBondContact O-N 3.03Å; I185-V198 HydrophobicContact CB-CG1 4.02Å; I185-V198 HydrophobicContact CD1-CG1 3.91Å; I185-V198 HydrophobicContact CG2-CG1 3.76Å; I185-V198 HydrophobicContact CG2-CG2 4.22Å; I185-V200 HydrophobicContact CD1-CG2 3.82Å; I185-F233 HydrophobicContact CD1-CB 3.6Å; I185-F233 HydrophobicContact CD1-CD1 4.22Å; I185-F233 HydrophobicContact CD1-CD2 3.9Å; I185-F233 HydrophobicContact CD1-CG 3.65Å; I185-F233 HydrophobicContact CG1-CD2 4.29Å; I185-F233 HydrophobicContact CG1-CG 4.35Å; I185-F233 HydrophobicContact CG2-CD2 3.76Å; I185-F233 HydrophobicContact CG2-CE2 3.85Å; I185-I235 HydrophobicContact CG2-CD1 4.42Å; I185-I235 HydrophobicContact CG2-CG1 4.4Å
186R93.9Very high92.7Very high59 Ų5962.8 Ų62.822%0.22332%0.316CS..Hα-helixtrans-56.8-42.8177.7-70.4-179.8-167.3103.13.5111.7E182 K183 N190 L191 V198E182-R186 WeakPolarHBondContact O-CG 3.23Å; E182-R186 PolarHBondContact O-N 3.32Å; E182-R186 IonicContact OE2-CZ 3.26Å; E182-R186 IonicContact OE2-NH1 2.8Å; E182-R186 PolarHBondContact OE2-NH1 2.77Å; E182-R186 IonicContact OE2-NH2 3.73Å; E182-R186 PolarHBondContact OE2-NH2 3.39Å; K183-R186 PolarHBondContact O-N 2.99Å; R186-N190 WeakPolarHBondContact O-CA 3.27Å; R186-N190 PolarHBondContact O-N 3.44Å; R186-L191 HydrophobicContact CB-CB 4.39Å; R186-L191 HydrophobicContact CG-CB 4.41Å; R186-L191 PolarHBondContact O-N 3.35Å; R186-V198 HydrophobicContact CG-CB 4.43Å; R186-V198 HydrophobicContact CG-CG2 3.67Å
187M93.6Very high92.5Very high128 Ų12864.2 Ų64.263%0.63132%0.321SS*.Hα-helixtrans-68.7-43176.6-69.817966.300112.5K183 L184 I185 F189 N190K183-M187 HydrophobicContact CG-SD 4.35Å; K183-M187 WeakPolarHBondContact O-CG 3.49Å; K183-M187 PolarHBondContact O-N 3.45Å; L184-M187 PolarHBondContact O-N 3.5Å; I185-M187 VanDerWaalsContact C-N 3.28Å; I185-M187 PolarHBondContact O-N 2.79Å; M187-F189 VanDerWaalsContact C-N 3.28Å; M187-F189 PolarHBondContact O-N 3.47Å; M187-N190 PolarHBondContact O-N 3.34Å; M187-N190 PolarHBondContact O-OD1 3.17Å
188K92.1Very high92.3Very high105 Ų10563.1 Ų63.146%0.45732%0.315SS..Hα-helixtrans-61.4-36.2-178.7-175.8177.3-179-174.70112.7T168 L184 I185T168-K188 PolarHBondContact OG1-NZ 3.29Å; L184-K188 WeakPolarHBondContact O-CB 3.33Å; L184-K188 PolarHBondContact O-N 3.31Å; I185-K188 PolarHBondContact O-N 3.35Å
189F90.9Very high92.2Very high67 Ų6763.8 Ų63.829%0.29432%0.319SS..THydrogen-bonded Turntrans-106.510.6-177.4-64.1-78.2000113.6I165 I185 M187 L191 F233 I235I165-F189 HydrophobicContact CD1-CE1 4.26Å; I165-F189 HydrophobicContact CD1-CZ 4.4Å; I165-F189 HydrophobicContact CG2-CZ 4.2Å; I185-F189 HydrophobicContact CG2-CD2 3.84Å; I185-F189 HydrophobicContact CG2-CE2 4.16Å; I185-F189 WeakPolarHBondContact O-CD2 3.49Å; I185-F189 PolarHBondContact O-N 3.03Å; M187-F189 VanDerWaalsContact C-N 3.28Å; M187-F189 PolarHBondContact O-N 3.47Å; F189-L191 VanDerWaalsContact C-N 3.28Å; F189-L191 HydrophobicContact CB-CD1 4.02Å; F189-L191 HydrophobicContact CB-CD2 3.99Å; F189-L191 HydrophobicContact CB-CG 3.73Å; F189-L191 PolarHBondContact O-N 2.89Å; F189-F233 HydrophobicContact CD2-CE2 4.48Å; F189-F233 AromaticContact CE2-CE2 3.73Å; F189-F233 HydrophobicContact CE2-CE2 3.73Å; F189-F233 AromaticContact CE2-CZ 3.72Å; F189-F233 HydrophobicContact CE2-CZ 3.72Å; F189-F233 HydrophobicContact CZ-CE2 4.28Å; F189-F233 HydrophobicContact CZ-CZ 4Å; F189-I235 HydrophobicContact CB-CD1 4.5Å; F189-I235 HydrophobicContact CD2-CD1 4.02Å; F189-I235 HydrophobicContact CE2-CD1 4.43Å; F189-I235 HydrophobicContact CG-CD1 4.19Å
190N92.2Very high92Very high150 Ų15063 Ų6380%0.80231%0.31SS*.THydrogen-bonded Turntrans51.242.1-178.7-66.9-38.9000114.2R186 M187R186-N190 WeakPolarHBondContact O-CA 3.27Å; R186-N190 PolarHBondContact O-N 3.44Å; M187-N190 PolarHBondContact O-N 3.34Å; M187-N190 PolarHBondContact O-OD1 3.17Å
191L92Very high91.8Very high25 Ų2558.9 Ų58.913%0.13129%0.291CS..  trans-87.5132.2-176.2-53173.6000111.4R186 F189 H196 V198 I235R186-L191 HydrophobicContact CB-CB 4.39Å; R186-L191 HydrophobicContact CG-CB 4.41Å; R186-L191 PolarHBondContact O-N 3.35Å; F189-L191 VanDerWaalsContact C-N 3.28Å; F189-L191 HydrophobicContact CB-CD1 4.02Å; F189-L191 HydrophobicContact CB-CD2 3.99Å; F189-L191 HydrophobicContact CB-CG 3.73Å; F189-L191 PolarHBondContact O-N 2.89Å; L191-H196 HydrophobicContact CB-CB 3.96Å; L191-H196 HydrophobicContact CD2-CB 4.42Å; L191-V198 HydrophobicContact CD1-CG2 3.73Å; L191-I235 HydrophobicContact CD1-CB 4.38Å; L191-I235 HydrophobicContact CD1-CD1 3.73Å; L191-I235 HydrophobicContact CD1-CG1 3.76Å; L191-I235 HydrophobicContact CD1-CG2 3.69Å; L191-I235 HydrophobicContact CD2-CG2 4.1Å
192K90.3Very high91.3Very high112 Ų11262 Ų6249%0.48731%0.305SS..  trans-83.5130.9172-59.4-171-148.4138.60111.1S194 E195 H196K192-S194 PolarHBondContact O-N 2.95Å; K192-E195 HydrophobicContact CB-CB 4.31Å; K192-E195 HydrophobicContact CB-CG 4.43Å; K192-E195 WeakPolarHBondContact CD-OE2 3.39Å; K192-E195 IonicContact NZ-OE1 2.79Å; K192-E195 PolarHBondContact NZ-OE1 3.31Å; K192-E195 IonicContact NZ-OE2 3.18Å; K192-E195 PolarHBondContact NZ-OE2 3.06Å; K192-E195 PolarHBondContact O-N 3.38Å; K192-H196 PolarHBondContact O-N 2.92Å
193P88.1Confident90.5Very high106 Ų10663.4 Ų63.469%0.68832%0.317SS*.THydrogen-bonded Turntrans-57.9-22.9176.3-24.232.7000114.7
194S88.5Confident89.4Confident45 Ų4561.6 Ų61.632%0.31532%0.316SS..THydrogen-bonded Turntrans-78.4-19.4178.5520000114.7K192 T238K192-S194 PolarHBondContact O-N 2.95Å; S194-T238 PolarHBondContact O-OG1 3.04Å
195E89.2Confident88.3Confident69 Ų6964.8 Ų64.832%0.32233%0.333SS..THydrogen-bonded Turntrans-119.8-18.9-171.7-67.5165.5-168.600111.3K192 E237 T238K192-E195 HydrophobicContact CB-CB 4.31Å; K192-E195 HydrophobicContact CB-CG 4.43Å; K192-E195 WeakPolarHBondContact CD-OE2 3.39Å; K192-E195 IonicContact NZ-OE1 2.79Å; K192-E195 PolarHBondContact NZ-OE1 3.31Å; K192-E195 IonicContact NZ-OE2 3.18Å; K192-E195 PolarHBondContact NZ-OE2 3.06Å; K192-E195 PolarHBondContact O-N 3.38Å; E195-E237 CarbonylContact O-C 3.49Å; E195-E237 WeakPolarHBondContact O-CA 3.5Å; E195-T238 WeakPolarHBondContact CA-OG1 3.34Å; E195-T238 PolarHBondContact O-N 2.91Å; E195-T238 PolarHBondContact O-OG1 3.36Å
196H90.9Very high87.3Confident42 Ų4267.5 Ų67.519%0.19435%0.348CS..EExtended strand (participates in β ladder)trans-137126.3-173.3-58.683.6000112L191 K192 I235 K236L191-H196 HydrophobicContact CB-CB 3.96Å; L191-H196 HydrophobicContact CD2-CB 4.42Å; K192-H196 PolarHBondContact O-N 2.92Å; H196-I235 HydrophobicContact CB-CG2 4.36Å; H196-K236 CarbonylContact C-O 3.55Å; H196-K236 WeakPolarHBondContact CA-O 3.29Å
197E90.7Very high86.3Confident71 Ų7171 Ų7133%0.33237%0.37SS..EExtended strand (participates in β ladder)trans-93.4122.3169.5-175.4174.9-145.600109.1I235 K236 T238 R284E197-I235 WeakPolarHBondContact O-CA 3.27Å; E197-K236 HydrophobicContact CB-CB 4.42Å; E197-K236 PolarHBondContact N-O 2.95Å; E197-K236 PolarHBondContact O-N 2.8Å; E197-T238 HydrophobicContact CB-CG2 3.87Å; E197-R284 IonicContact OE1-NH1 2.79Å; E197-R284 PolarHBondContact OE1-NH1 3.04Å; E197-R284 IonicContact OE2-NH1 3.05Å
198V91.2Very high85.7Confident5 Ų565.8 Ų65.83%0.0334%0.344CS..EExtended strand (participates in β ladder)trans-106.1130.8174.11780000107.8E182 I185 R186 L191 T234 I235E182-V198 HydrophobicContact CB-CG1 4.31Å; E182-V198 HydrophobicContact CG-CG1 4.34Å; I185-V198 HydrophobicContact CB-CG1 4.02Å; I185-V198 HydrophobicContact CD1-CG1 3.91Å; I185-V198 HydrophobicContact CG2-CG1 3.76Å; I185-V198 HydrophobicContact CG2-CG2 4.22Å; R186-V198 HydrophobicContact CG-CB 4.43Å; R186-V198 HydrophobicContact CG-CG2 3.67Å; L191-V198 HydrophobicContact CD1-CG2 3.73Å; V198-T234 WeakPolarHBondContact CA-O 3.32Å; V198-I235 HydrophobicContact CG2-CG1 4.41Å
199S90.3Very high85.4Confident13 Ų1365.1 Ų65.19%0.09135%0.346CS..EExtended strand (participates in β ladder)trans-128.1136.4176.3-510000109.6F233 T234S199-F233 CarbonylContact O-C 3.32Å; S199-F233 WeakPolarHBondContact O-CA 3.41Å; S199-F233 WeakPolarHBondContact O-CB 3.43Å; S199-T234 PolarHBondContact N-O 3.02Å; S199-T234 VanDerWaalsContact N-O 3.12Å; S199-T234 PolarHBondContact O-N 2.97Å
200V91.6Very high85.4Confident2 Ų264.4 Ų64.41%0.01235%0.349CS..EExtended strand (participates in β ladder)trans-115.7135.6176.8-179.50000108.6V178 I181 E182 I185 F208 L231 Y232 F233V178-V200 HydrophobicContact CG1-CB 4.01Å; I181-V200 HydrophobicContact CG2-CG1 4.45Å; I181-V200 HydrophobicContact CG2-CG2 4.01Å; E182-V200 HydrophobicContact CG-CG2 3.86Å; I185-V200 HydrophobicContact CD1-CG2 3.82Å; V200-F208 HydrophobicContact CG1-CD2 4.47Å; V200-L231 HydrophobicContact CG1-CB 4.33Å; V200-L231 HydrophobicContact CG1-CD1 4.28Å; V200-Y232 WeakPolarHBondContact CA-O 3.25Å; V200-F233 HydrophobicContact CG2-CB 4.31Å
201F89.9Confident85.4Confident14 Ų1462 Ų626%0.06134%0.336CS..EExtended strand (participates in β ladder)trans-153161-175.355.8-86.7000111.3W137 S203 D206 Y232 T234W137-F201 HydrophobicContact CB-CE1 4.46Å; W137-F201 HydrophobicContact CB-CZ 3.68Å; W137-F201 AromaticContact CD2-CE2 3.91Å; W137-F201 HydrophobicContact CD2-CE2 3.91Å; W137-F201 AromaticContact CD2-CZ 3.77Å; W137-F201 HydrophobicContact CD2-CZ 3.77Å; W137-F201 AromaticContact CE3-CE2 3.65Å; W137-F201 HydrophobicContact CE3-CE2 3.65Å; W137-F201 AromaticContact CE3-CZ 3.93Å; W137-F201 HydrophobicContact CE3-CZ 3.93Å; W137-F201 HydrophobicContact CG-CE2 4.3Å; W137-F201 AromaticContact CG-CZ 3.66Å; W137-F201 HydrophobicContact CG-CZ 3.66Å; W137-F201 HydrophobicContact CZ3-CE2 4.18Å; F201-S203 WeakPolarHBondContact CD2-O 3.19Å; F201-D206 WeakPolarHBondContact CB-O 3.34Å; F201-Y232 HydrophobicContact CE2-CG 4.26Å; F201-Y232 PolarHBondContact N-O 3.02Å; F201-Y232 PolarHBondContact O-N 3.48Å; F201-T234 HydrophobicContact CE1-CG2 3.73Å; F201-T234 HydrophobicContact CZ-CG2 3.99Å
202F84.5Confident85.4Confident68 Ų6865.3 Ų65.330%0.29835%0.347SS..SBendtrans-100-44.4173.6-179.8-93000111.7F208 Y221 F229 K230F202-F208 HydrophobicContact CB-CE1 4.48Å; F202-F208 HydrophobicContact CB-CE2 3.92Å; F202-F208 HydrophobicContact CB-CZ 3.42Å; F202-F208 VanDerWaalsContact CB-CZ 3.42Å; F202-Y221 HydrophobicContact CB-CE1 4.17Å; F202-Y221 HydrophobicContact CB-CE2 4.09Å; F202-Y221 AromaticContact CD1-CD1 3.38Å; F202-Y221 HydrophobicContact CD1-CD1 3.38Å; F202-Y221 AromaticContact CD1-CE1 3.3Å; F202-Y221 HydrophobicContact CD1-CE1 3.3Å; F202-Y221 HydrophobicContact CD1-CG 4.03Å; F202-Y221 AromaticContact CD1-CZ 3.91Å; F202-Y221 HydrophobicContact CD2-CG 4.47Å; F202-Y221 AromaticContact CE1-CD1 3.48Å; F202-Y221 HydrophobicContact CE1-CD1 3.48Å; F202-Y221 VanDerWaalsContact CE1-CD1 3.48Å; F202-Y221 AromaticContact CE1-CE1 3.87Å; F202-Y221 HydrophobicContact CE1-CE1 3.87Å; F202-Y221 HydrophobicContact CE1-CG 4.13Å; F202-Y221 AromaticContact CG-CD1 3.99Å; F202-Y221 HydrophobicContact CG-CD1 3.99Å; F202-Y221 HydrophobicContact CG-CD2 4.36Å; F202-Y221 AromaticContact CG-CE1 3.9Å; F202-Y221 HydrophobicContact CG-CE1 3.9Å; F202-Y221 HydrophobicContact CG-CE2 4.31Å; F202-Y221 HydrophobicContact CG-CG 4.21Å; F202-Y221 HydrophobicContact CZ-CD1 4.16Å; F202-Y221 HydrophobicContact CZ-CG 4.4Å; F202-F229 AromaticContact CD2-CE2 3.92Å; F202-F229 HydrophobicContact CD2-CE2 3.92Å; F202-F229 HydrophobicContact CD2-CZ 4.05Å; F202-F229 HydrophobicContact CE2-CD2 4.41Å; F202-F229 AromaticContact CE2-CE2 3.76Å; F202-F229 HydrophobicContact CE2-CE2 3.76Å; F202-F229 HydrophobicContact CE2-CZ 4.36Å; F202-K230 WeakPolarHBondContact CD2-O 3.42Å
203S77.8Confident85.5Confident48 Ų4861.3 Ų61.334%0.33633%0.333SS..SBendtrans-121.4158.9171.4-175.90000109.6F201 D205 D206F201-S203 WeakPolarHBondContact CD2-O 3.19Å; S203-D205 PolarHBondContact O-N 3Å; S203-D205 VanDerWaalsContact O-N 3.09Å; S203-D206 PolarHBondContact O-N 3.42Å
204V71.7Confident85.6Confident90 Ų9056.3 Ų56.355%0.54530%0.3SS..THydrogen-bonded Turntrans-55.8-29.6-179.7-177.10000112W137W137-V204 HydrophobicContact CH2-CG2 3.46Å; W137-V204 VanDerWaalsContact CH2-CG2 3.46Å; W137-V204 HydrophobicContact CZ2-CG2 3.57Å; W137-V204 HydrophobicContact CZ3-CG2 4.26Å
205D71.9Confident85.6Confident138 Ų13855.8 Ų55.874%0.73830%0.297SS*.THydrogen-bonded Turntrans-87.2-10.4-178.5-56.7-41.2000113.6S203S203-D205 PolarHBondContact O-N 3Å; S203-D205 VanDerWaalsContact O-N 3.09Å
206D71.3Confident85.6Confident61 Ų6155.9 Ų55.933%0.32630%0.299SS..  trans-112.580.7-169.4-65-29.8000111.8F201 S203 F208 Y221F201-D206 WeakPolarHBondContact CB-O 3.34Å; S203-D206 PolarHBondContact O-N 3.42Å; D206-F208 HydrophobicContact CB-CE1 4.28Å; D206-F208 PolarHBondContact O-N 2.84Å; D206-Y221 WeakPolarHBondContact CB-OH 3.43Å; D206-Y221 WeakPolarHBondContact OD2-CE1 3.45Å; D206-Y221 PolarHBondContact OD2-OH 2.96Å
207L74.8Confident85.5Confident131 Ų13153.9 Ų53.969%0.68629%0.29SS*.BIsolated β-bridgetrans-75.7120.7167.9-84.8123.5000110.2
208F80.9Confident85.3Confident20 Ų2050.7 Ų50.79%0.08828%0.276CS..PPolyproline II helixtrans-78.4141.8178.1-59.8-41.7000112.3V178 V200 F202 D206 Y212 L217 Y221 L231V178-F208 HydrophobicContact CB-CB 4.42Å; V178-F208 HydrophobicContact CG1-CB 4.04Å; V178-F208 HydrophobicContact CG2-CB 3.84Å; V178-F208 HydrophobicContact CG2-CD2 4.2Å; V178-F208 HydrophobicContact CG2-CG 4.29Å; V200-F208 HydrophobicContact CG1-CD2 4.47Å; F202-F208 HydrophobicContact CB-CE1 4.48Å; F202-F208 HydrophobicContact CB-CE2 3.92Å; F202-F208 HydrophobicContact CB-CZ 3.42Å; F202-F208 VanDerWaalsContact CB-CZ 3.42Å; D206-F208 HydrophobicContact CB-CE1 4.28Å; D206-F208 PolarHBondContact O-N 2.84Å; F208-Y212 HydrophobicContact CB-CD2 4.24Å; F208-Y212 HydrophobicContact CD1-CD2 4.31Å; F208-L217 HydrophobicContact CD1-CD2 3.56Å; F208-L217 HydrophobicContact CD2-CD1 3.8Å; F208-L217 HydrophobicContact CD2-CD2 4.14Å; F208-L217 HydrophobicContact CE1-CD2 3.56Å; F208-L217 HydrophobicContact CE2-CD1 3.73Å; F208-L217 HydrophobicContact CE2-CD2 4.11Å; F208-L217 HydrophobicContact CG-CD1 4.29Å; F208-L217 HydrophobicContact CG-CD2 3.86Å; F208-L217 HydrophobicContact CZ-CD1 4.18Å; F208-L217 HydrophobicContact CZ-CD2 3.8Å; F208-Y221 AromaticContact CE1-CE2 3.47Å; F208-Y221 HydrophobicContact CE1-CE2 3.47Å; F208-Y221 VanDerWaalsContact CE1-CE2 3.47Å; F208-Y221 AromaticContact CE1-CZ 3.8Å; F208-Y221 VanDerWaalsContact CE1-OH 3.25Å; F208-Y221 WeakPolarHBondContact CE1-OH 3.36Å; F208-Y221 HydrophobicContact CZ-CD2 4.44Å; F208-Y221 AromaticContact CZ-CE2 3.46Å; F208-Y221 HydrophobicContact CZ-CE2 3.46Å; F208-Y221 VanDerWaalsContact CZ-CE2 3.46Å; F208-Y221 AromaticContact CZ-CZ 3.87Å; F208-L231 HydrophobicContact CE2-CD2 3.95Å
209N85.9Confident84.9Confident91 Ų9152.9 Ų52.949%0.48729%0.291SS..PPolyproline II helixtrans-72.2138.4165.3-166.8-13.8000108.6N211 Y212N209-N211 WeakPolarHBondContact CB-OD1 3.26Å; N209-N211 PolarHBondContact ND2-OD1 3.18Å; N209-N211 PolarHBondContact O-N 2.8Å; N209-N211 PolarHBondContact OD1-OD1 3.06Å; N209-Y212 HydrophobicContact CB-CD2 4.27Å; N209-Y212 HydrophobicContact CB-CE1 4.44Å; N209-Y212 HydrophobicContact CB-CE2 4.13Å; N209-Y212 HydrophobicContact CB-CG 4.49Å; N209-Y212 PolarHBondContact O-N 3.11Å
210S89.4Confident84.5Confident51 Ų5157.5 Ų57.536%0.35731%0.314SS..THydrogen-bonded Turntrans-63.9-14.2-173.9-50.40000113.4T177 G179 E182T177-S210 WeakPolarHBondContact CB-O 3.47Å; G179-S210 PolarHBondContact N-O 3.05Å; E182-S210 PolarHBondContact OE1-OG 3.5Å
211N92.2Very high84.1Confident99 Ų9960.5 Ų60.553%0.52933%0.325SS..THydrogen-bonded Turntrans-84.3-13176.667.4-23.5000114.4N209 T213N209-N211 WeakPolarHBondContact CB-OD1 3.26Å; N209-N211 PolarHBondContact ND2-OD1 3.18Å; N209-N211 PolarHBondContact O-N 2.8Å; N209-N211 PolarHBondContact OD1-OD1 3.06Å; N211-T213 PolarHBondContact O-N 2.94Å
212Y91.6Very high83.5Confident95 Ų9561.6 Ų61.637%0.37334%0.337SS..  trans-66.6133177.3-68.1-23.3000111.1T177 V178 F208 N209 L217T177-Y212 CarbonylContact C-O 3.53Å; T177-Y212 WeakPolarHBondContact CA-O 3.38Å; V178-Y212 PolarHBondContact N-O 3.17Å; F208-Y212 HydrophobicContact CB-CD2 4.24Å; F208-Y212 HydrophobicContact CD1-CD2 4.31Å; N209-Y212 HydrophobicContact CB-CD2 4.27Å; N209-Y212 HydrophobicContact CB-CE1 4.44Å; N209-Y212 HydrophobicContact CB-CE2 4.13Å; N209-Y212 HydrophobicContact CB-CG 4.49Å; N209-Y212 PolarHBondContact O-N 3.11Å; Y212-L217 HydrophobicContact CD2-CD2 4.06Å; Y212-L217 HydrophobicContact CG-CD2 4.45Å
213T92.7Very high83.4Confident29 Ų2960.3 Ų60.318%0.17833%0.33CS..BIsolated β-bridgetrans-81.2156.9173.568.90000110.6L176 T177 N211 S215 D216 L217L176-T213 CarbonylContact O-C 3.51Å; L176-T213 WeakPolarHBondContact O-CA 3.45Å; T177-T213 HydrophobicContact CG2-CG2 4.26Å; N211-T213 PolarHBondContact O-N 2.94Å; T213-S215 PolarHBondContact O-N 2.98Å; T213-D216 WeakPolarHBondContact CB-OD2 3.38Å; T213-D216 PolarHBondContact N-OD2 2.8Å; T213-D216 WeakPolarHBondContact O-CB 3.39Å; T213-D216 PolarHBondContact O-N 3.02Å; T213-D216 VanDerWaalsContact O-N 3.1Å; T213-D216 PolarHBondContact OG1-N 3.27Å; T213-D216 PolarHBondContact OG1-OD1 3.17Å; T213-D216 PolarHBondContact OG1-OD2 2.93Å; T213-L217 WeakPolarHBondContact O-CG 3.37Å; T213-L217 PolarHBondContact O-N 2.79Å
214L91.2Very high83.4Confident0 Ų061.1 Ų61.10%033%0.326CS..Hα-helixtrans-59.5-32.7172.6-76.6-176.5000112L130 V132 C172 P174 L176 I181 L217 A218 L231L130-L214 HydrophobicContact CD1-CB 3.56Å; V132-L214 HydrophobicContact CG2-CD1 3.72Å; V132-L214 HydrophobicContact CG2-CD2 4.3Å; C172-L214 HydrophobicContact CB-CD1 3.39Å; P174-L214 PolarHBondContact O-N 3.44Å; L176-L214 HydrophobicContact CB-CD1 4.01Å; L176-L214 HydrophobicContact CB-CG 4.33Å; L176-L214 HydrophobicContact CD2-CD1 3.91Å; L176-L214 HydrophobicContact CG-CD1 4.48Å; L176-L214 WeakPolarHBondContact O-CG 3.43Å; L176-L214 PolarHBondContact O-N 3.2Å; I181-L214 HydrophobicContact CD1-CD1 4.43Å; I181-L214 HydrophobicContact CD1-CD2 3.51Å; I181-L214 HydrophobicContact CD1-CG 4.14Å; L214-L217 HydrophobicContact CD2-CD1 4.38Å; L214-L217 PolarHBondContact O-N 2.81Å; L214-A218 WeakPolarHBondContact O-CB 3.49Å; L214-A218 PolarHBondContact O-N 3.29Å; L214-L231 HydrophobicContact CD2-CD1 3.84Å
215S88.4Confident83.8Confident35 Ų3560.5 Ų60.525%0.24531%0.314CS..Hα-helixtrans-60.3-47.3171.3-175.80000112.1L124 P174 T213 L217 A218 C219L124-S215 WeakPolarHBondContact CD1-OG 3.44Å; P174-S215 WeakPolarHBondContact O-CB 3.45Å; P174-S215 PolarHBondContact O-N 3.41Å; T213-S215 PolarHBondContact O-N 2.98Å; S215-L217 VanDerWaalsContact C-N 3.34Å; S215-L217 PolarHBondContact O-N 3.25Å; S215-A218 PolarHBondContact O-N 3.5Å; S215-C219 WeakPolarHBondContact O-CB 3.22Å; S215-C219 PolarHBondContact O-N 3.1Å
216D88.1Confident84.2Confident70 Ų7061.5 Ų61.537%0.37431%0.314SS..Hα-helixtrans-59.9-46.2176.7-59.3-40.1000110.6T213 C219 L220T213-D216 WeakPolarHBondContact CB-OD2 3.38Å; T213-D216 PolarHBondContact N-OD2 2.8Å; T213-D216 WeakPolarHBondContact O-CB 3.39Å; T213-D216 PolarHBondContact O-N 3.02Å; T213-D216 VanDerWaalsContact O-N 3.1Å; T213-D216 PolarHBondContact OG1-N 3.27Å; T213-D216 PolarHBondContact OG1-OD1 3.17Å; T213-D216 PolarHBondContact OG1-OD2 2.93Å; D216-C219 WeakPolarHBondContact O-CB 3.34Å; D216-C219 PolarHBondContact O-N 3.43Å; D216-L220 WeakPolarHBondContact O-CB 3.47Å; D216-L220 VanDerWaalsContact O-CG 3.26Å; D216-L220 WeakPolarHBondContact O-CG 3.21Å; D216-L220 PolarHBondContact O-N 2.79Å
217L88.6Confident85Confident0 Ų064.9 Ų64.90%033%0.328CS..Hα-helixtrans-62.7-45.9178-62.4-173.9000111.8V178 F208 Y212 T213 L214 S215 C219 L220 Y221 F229 L231V178-L217 HydrophobicContact CG2-CD1 3.68Å; V178-L217 HydrophobicContact CG2-CG 4.47Å; F208-L217 HydrophobicContact CD1-CD2 3.56Å; F208-L217 HydrophobicContact CD2-CD1 3.8Å; F208-L217 HydrophobicContact CD2-CD2 4.14Å; F208-L217 HydrophobicContact CE1-CD2 3.56Å; F208-L217 HydrophobicContact CE2-CD1 3.73Å; F208-L217 HydrophobicContact CE2-CD2 4.11Å; F208-L217 HydrophobicContact CG-CD1 4.29Å; F208-L217 HydrophobicContact CG-CD2 3.86Å; F208-L217 HydrophobicContact CZ-CD1 4.18Å; F208-L217 HydrophobicContact CZ-CD2 3.8Å; Y212-L217 HydrophobicContact CD2-CD2 4.06Å; Y212-L217 HydrophobicContact CG-CD2 4.45Å; T213-L217 WeakPolarHBondContact O-CG 3.37Å; T213-L217 PolarHBondContact O-N 2.79Å; L214-L217 HydrophobicContact CD2-CD1 4.38Å; L214-L217 PolarHBondContact O-N 2.81Å; S215-L217 VanDerWaalsContact C-N 3.34Å; S215-L217 PolarHBondContact O-N 3.25Å; L217-C219 PolarHBondContact O-N 2.8Å; L217-L220 HydrophobicContact CD2-CD1 4.43Å; L217-L220 PolarHBondContact O-N 2.82Å; L217-Y221 VanDerWaalsContact O-CD2 3.29Å; L217-Y221 WeakPolarHBondContact O-CD2 3.21Å; L217-Y221 PolarHBondContact O-N 3.22Å; L217-F229 HydrophobicContact CB-CE1 3.61Å; L217-F229 HydrophobicContact CB-CZ 3.8Å; L217-F229 HydrophobicContact CD1-CE1 4.23Å; L217-L231 HydrophobicContact CD1-CD2 4.41Å
218A86.8Confident85.8Confident5 Ų560.3 Ų60.34%0.04131%0.306CS..Hα-helixtrans-57.2-38.6175.700000111.6L124 L214 S215 A222 W223L124-A218 HydrophobicContact CD1-CB 4.22Å; L214-A218 WeakPolarHBondContact O-CB 3.49Å; L214-A218 PolarHBondContact O-N 3.29Å; S215-A218 PolarHBondContact O-N 3.5Å; A218-A222 PolarHBondContact O-N 3.03Å; A218-W223 HydrophobicContact CB-CB 4.4Å; A218-W223 HydrophobicContact CB-CE3 3.88Å; A218-W223 PolarHBondContact O-N 3.09Å
219C82.7Confident86.3Confident50 Ų5059.5 Ų59.534%0.33830%0.303SS..Hα-helixtrans-70.1-48.1176.5-168.10000112.4K81 S215 D216 L217 Y221 A222K81-C219 PolarHBondContact NZ-SG 3.42Å; K81-C219 VanDerWaalsContact NZ-SG 3.35Å; S215-C219 WeakPolarHBondContact O-CB 3.22Å; S215-C219 PolarHBondContact O-N 3.1Å; D216-C219 WeakPolarHBondContact O-CB 3.34Å; D216-C219 PolarHBondContact O-N 3.43Å; L217-C219 PolarHBondContact O-N 2.8Å; C219-Y221 VanDerWaalsContact C-N 3.29Å; C219-Y221 PolarHBondContact O-N 2.84Å; C219-A222 PolarHBondContact O-N 2.93Å; C219-A222 VanDerWaalsContact O-N 3.12Å
220L82.8Confident86.5Confident110 Ų11057.1 Ų57.158%0.57629%0.288SS*.Hα-helixtrans-59.3-39.8-179-75.2169.2000112.1D216 L217D216-L220 WeakPolarHBondContact O-CB 3.47Å; D216-L220 VanDerWaalsContact O-CG 3.26Å; D216-L220 WeakPolarHBondContact O-CG 3.21Å; D216-L220 PolarHBondContact O-N 2.79Å; L217-L220 HydrophobicContact CD2-CD1 4.43Å; L217-L220 PolarHBondContact O-N 2.82Å
221Y83.1Confident86.7Confident65 Ų6554.7 Ų54.726%0.25527%0.271SS..THydrogen-bonded Turntrans-93.610.7179.4-68.2-79.5000113.9F202 D206 F208 L217 C219 W223 F229F202-Y221 HydrophobicContact CB-CE1 4.17Å; F202-Y221 HydrophobicContact CB-CE2 4.09Å; F202-Y221 AromaticContact CD1-CD1 3.38Å; F202-Y221 HydrophobicContact CD1-CD1 3.38Å; F202-Y221 AromaticContact CD1-CE1 3.3Å; F202-Y221 HydrophobicContact CD1-CE1 3.3Å; F202-Y221 HydrophobicContact CD1-CG 4.03Å; F202-Y221 AromaticContact CD1-CZ 3.91Å; F202-Y221 HydrophobicContact CD2-CG 4.47Å; F202-Y221 AromaticContact CE1-CD1 3.48Å; F202-Y221 HydrophobicContact CE1-CD1 3.48Å; F202-Y221 VanDerWaalsContact CE1-CD1 3.48Å; F202-Y221 AromaticContact CE1-CE1 3.87Å; F202-Y221 HydrophobicContact CE1-CE1 3.87Å; F202-Y221 HydrophobicContact CE1-CG 4.13Å; F202-Y221 AromaticContact CG-CD1 3.99Å; F202-Y221 HydrophobicContact CG-CD1 3.99Å; F202-Y221 HydrophobicContact CG-CD2 4.36Å; F202-Y221 AromaticContact CG-CE1 3.9Å; F202-Y221 HydrophobicContact CG-CE1 3.9Å; F202-Y221 HydrophobicContact CG-CE2 4.31Å; F202-Y221 HydrophobicContact CG-CG 4.21Å; F202-Y221 HydrophobicContact CZ-CD1 4.16Å; F202-Y221 HydrophobicContact CZ-CG 4.4Å; D206-Y221 WeakPolarHBondContact CB-OH 3.43Å; D206-Y221 WeakPolarHBondContact OD2-CE1 3.45Å; D206-Y221 PolarHBondContact OD2-OH 2.96Å; F208-Y221 AromaticContact CE1-CE2 3.47Å; F208-Y221 HydrophobicContact CE1-CE2 3.47Å; F208-Y221 VanDerWaalsContact CE1-CE2 3.47Å; F208-Y221 AromaticContact CE1-CZ 3.8Å; F208-Y221 VanDerWaalsContact CE1-OH 3.25Å; F208-Y221 WeakPolarHBondContact CE1-OH 3.36Å; F208-Y221 HydrophobicContact CZ-CD2 4.44Å; F208-Y221 AromaticContact CZ-CE2 3.46Å; F208-Y221 HydrophobicContact CZ-CE2 3.46Å; F208-Y221 VanDerWaalsContact CZ-CE2 3.46Å; F208-Y221 AromaticContact CZ-CZ 3.87Å; L217-Y221 VanDerWaalsContact O-CD2 3.29Å; L217-Y221 WeakPolarHBondContact O-CD2 3.21Å; L217-Y221 PolarHBondContact O-N 3.22Å; C219-Y221 VanDerWaalsContact C-N 3.29Å; C219-Y221 PolarHBondContact O-N 2.84Å; Y221-W223 PolarHBondContact O-N 2.9Å; Y221-W223 VanDerWaalsContact O-N 3.13Å; Y221-F229 HydrophobicContact CD2-CZ 4.17Å
222A78.3Confident86.7Confident38 Ų3852.2 Ų52.231%0.31426%0.255SS..THydrogen-bonded Turntrans47.441.8-179.800000113.2R73 A218 C219 R224R73-A222 HydrophobicContact CB-CB 3.99Å; A218-A222 PolarHBondContact O-N 3.03Å; C219-A222 PolarHBondContact O-N 2.93Å; C219-A222 VanDerWaalsContact O-N 3.12Å; A222-R224 PolarHBondContact O-N 3.46Å
223W82.2Confident86.8Confident40 Ų4048 Ų4815%0.15224%0.238CC..  trans-70123.4-175.3176.866.9000111.7L130 A218 Y221 R225 Q227 F229L130-W223 HydrophobicContact CD2-CZ3 3.92Å; A218-W223 HydrophobicContact CB-CB 4.4Å; A218-W223 HydrophobicContact CB-CE3 3.88Å; A218-W223 PolarHBondContact O-N 3.09Å; Y221-W223 PolarHBondContact O-N 2.9Å; Y221-W223 VanDerWaalsContact O-N 3.13Å; W223-R225 HydrophobicContact CD2-CG 4.49Å; W223-R225 HydrophobicContact CE3-CG 3.92Å; W223-R225 HydrophobicContact CH2-CB 4.24Å; W223-R225 HydrophobicContact CH2-CG 3.89Å; W223-R225 HydrophobicContact CZ2-CB 4.39Å; W223-R225 HydrophobicContact CZ2-CG 4.43Å; W223-R225 HydrophobicContact CZ3-CB 4.4Å; W223-R225 HydrophobicContact CZ3-CG 3.6Å; W223-Q227 WeakPolarHBondContact CZ2-O 3.19Å; W223-Q227 PolarHBondContact NE1-O 2.98Å; W223-F229 HydrophobicContact CB-CD2 3.86Å; W223-F229 HydrophobicContact CB-CE2 4.11Å; W223-F229 AromaticContact CD1-CD2 3.75Å; W223-F229 HydrophobicContact CD2-CB 3.85Å; W223-F229 AromaticContact CD2-CD2 3.94Å; W223-F229 HydrophobicContact CD2-CD2 3.94Å; W223-F229 HydrophobicContact CD2-CG 4.2Å; W223-F229 HydrophobicContact CE3-CB 4.22Å; W223-F229 HydrophobicContact CG-CB 4.35Å; W223-F229 AromaticContact CG-CD2 3.58Å; W223-F229 HydrophobicContact CG-CD2 3.58Å; W223-F229 HydrophobicContact CG-CE2 4.32Å; W223-F229 HydrophobicContact CG-CG 4.31Å; W223-F229 HydrophobicContact CH2-CB 4.15Å; W223-F229 HydrophobicContact CZ2-CB 3.79Å; W223-F229 VanDerWaalsContact CZ2-N 3.29Å; W223-F229 HydrophobicContact CZ3-CB 4.35Å
224R76.9Confident86.8Confident66 Ų6647.5 Ų47.525%0.24924%0.235CC..  trans-95.515.8-171.2-65.2-176.5170.4-158.5-15.5115.4R73 E112 A222 Q226R73-R224 VanDerWaalsContact NH1-NH2 3.19Å; E112-R224 VanDerWaalsContact CD-NH2 3.3Å; E112-R224 IonicContact OE1-NH2 2.67Å; E112-R224 PolarHBondContact OE1-NH2 3.37Å; E112-R224 IonicContact OE2-CZ 2.89Å; E112-R224 IonicContact OE2-NH1 2.99Å; E112-R224 PolarHBondContact OE2-NH1 3.22Å; E112-R224 IonicContact OE2-NH2 3.21Å; E112-R224 PolarHBondContact OE2-NH2 3.3Å; A222-R224 PolarHBondContact O-N 3.46Å; R224-Q226 HydrophobicContact CB-CG 4.21Å; R224-Q226 PolarHBondContact O-N 3.39Å
225R80.6Confident86.8Confident76 Ų7649.4 Ų49.429%0.28725%0.245SC..SBendtrans54.916.4-180-53-175.9172.7-173.8-1.9116.2L124 D128 W223 Q227L124-R225 VanDerWaalsContact CD2-CZ 3.41Å; D128-R225 VanDerWaalsContact CB-NH2 3.35Å; D128-R225 IonicContact OD1-NH1 3.36Å; D128-R225 IonicContact OD2-CZ 2.77Å; D128-R225 VanDerWaalsContact OD2-CZ 3.26Å; D128-R225 IonicContact OD2-NH1 3.32Å; D128-R225 PolarHBondContact OD2-NH1 2.82Å; D128-R225 IonicContact OD2-NH2 2.73Å; D128-R225 PolarHBondContact OD2-NH2 3.06Å; W223-R225 HydrophobicContact CD2-CG 4.49Å; W223-R225 HydrophobicContact CE3-CG 3.92Å; W223-R225 HydrophobicContact CH2-CB 4.24Å; W223-R225 HydrophobicContact CH2-CG 3.89Å; W223-R225 HydrophobicContact CZ2-CB 4.39Å; W223-R225 HydrophobicContact CZ2-CG 4.43Å; W223-R225 HydrophobicContact CZ3-CB 4.4Å; W223-R225 HydrophobicContact CZ3-CG 3.6Å; R225-Q227 VanDerWaalsContact C-N 3.34Å
226Q80Confident86.8Confident160 Ų16051.2 Ų51.275%0.74825%0.248SC*.SBendtrans-74.9-26.1178.3-62.9-62.1-42.900112.7R224R224-Q226 HydrophobicContact CB-CG 4.21Å; R224-Q226 PolarHBondContact O-N 3.39Å
227Q87.6Confident86.8Confident131 Ų13155.4 Ų55.461%0.61227%0.266SS*.SBendtrans-142.6157.8177.163-179.550.300108W223 R225W223-Q227 WeakPolarHBondContact CZ2-O 3.19Å; W223-Q227 PolarHBondContact NE1-O 2.98Å; R225-Q227 VanDerWaalsContact C-N 3.34Å
228P91.7Very high86.5Confident36 Ų3658.1 Ų58.123%0.23428%0.282CS..  trans-51143.2174.6-26.435.3000112.4S131 E133 F169 K230S131-P228 CarbonylContact O-C 3.59Å; S131-P228 WeakPolarHBondContact O-CA 3.29Å; E133-P228 HydrophobicContact CB-CB 3.98Å; F169-P228 HydrophobicContact CD1-CB 4.37Å; F169-P228 HydrophobicContact CD1-CG 4.17Å; F169-P228 HydrophobicContact CE1-CB 4.46Å; F169-P228 HydrophobicContact CE1-CG 4.12Å; P228-K230 PolarHBondContact O-N 3.08Å; P228-K230 VanDerWaalsContact O-N 3.1Å
229F90.6Very high85.5Confident2 Ų262.7 Ų62.71%0.00931%0.314CS..EExtended strand (participates in β ladder)trans-69.6108.3177.9-173.1-126.3000109.2S131 V132 E133 F202 L217 Y221 W223 L231S131-F229 PolarHBondContact O-N 2.73Å; V132-F229 CarbonylContact C-O 3.53Å; V132-F229 WeakPolarHBondContact CA-O 3.43Å; V132-F229 WeakPolarHBondContact CG1-O 3.44Å; V132-F229 HydrophobicContact CG2-CB 4.45Å; E133-F229 PolarHBondContact N-O 3.32Å; F202-F229 AromaticContact CD2-CE2 3.92Å; F202-F229 HydrophobicContact CD2-CE2 3.92Å; F202-F229 HydrophobicContact CD2-CZ 4.05Å; F202-F229 HydrophobicContact CE2-CD2 4.41Å; F202-F229 AromaticContact CE2-CE2 3.76Å; F202-F229 HydrophobicContact CE2-CE2 3.76Å; F202-F229 HydrophobicContact CE2-CZ 4.36Å; L217-F229 HydrophobicContact CB-CE1 3.61Å; L217-F229 HydrophobicContact CB-CZ 3.8Å; L217-F229 HydrophobicContact CD1-CE1 4.23Å; Y221-F229 HydrophobicContact CD2-CZ 4.17Å; W223-F229 HydrophobicContact CB-CD2 3.86Å; W223-F229 HydrophobicContact CB-CE2 4.11Å; W223-F229 AromaticContact CD1-CD2 3.75Å; W223-F229 HydrophobicContact CD2-CB 3.85Å; W223-F229 AromaticContact CD2-CD2 3.94Å; W223-F229 HydrophobicContact CD2-CD2 3.94Å; W223-F229 HydrophobicContact CD2-CG 4.2Å; W223-F229 HydrophobicContact CE3-CB 4.22Å; W223-F229 HydrophobicContact CG-CB 4.35Å; W223-F229 AromaticContact CG-CD2 3.58Å; W223-F229 HydrophobicContact CG-CD2 3.58Å; W223-F229 HydrophobicContact CG-CE2 4.32Å; W223-F229 HydrophobicContact CG-CG 4.31Å; W223-F229 HydrophobicContact CH2-CB 4.15Å; W223-F229 HydrophobicContact CZ2-CB 3.79Å; W223-F229 VanDerWaalsContact CZ2-N 3.29Å; W223-F229 HydrophobicContact CZ3-CB 4.35Å; F229-L231 HydrophobicContact CD1-CD1 4.44Å; F229-L231 HydrophobicContact CD1-CD2 4.09Å; F229-L231 HydrophobicContact CD1-CG 4.13Å; F229-L231 HydrophobicContact CE1-CD1 4.47Å; F229-L231 HydrophobicContact CE1-CD2 3.6Å; F229-L231 HydrophobicContact CE1-CG 4.15Å; F229-L231 HydrophobicContact CZ-CD2 4.15Å
230K91.8Very high84.3Confident42 Ų4269.5 Ų69.518%0.18333%0.333CS..EExtended strand (participates in β ladder)trans-82.7122.4-171.4-167.8176.9-167.7-172.20110.9E133 F202 P228 Y232E133-K230 CarbonylContact O-C 3.59Å; E133-K230 WeakPolarHBondContact O-CA 3.4Å; F202-K230 WeakPolarHBondContact CD2-O 3.42Å; P228-K230 PolarHBondContact O-N 3.08Å; P228-K230 VanDerWaalsContact O-N 3.1Å; K230-Y232 HydrophobicContact CD-CE2 4.26Å; K230-Y232 WeakPolarHBondContact CE-OH 3.46Å; K230-Y232 HydrophobicContact CG-CE2 4.34Å; K230-Y232 PolarHBondContact NZ-OH 2.76Å
231L92.9Very high82.7Confident0 Ų072.7 Ų72.70%034%0.344CS..EExtended strand (participates in β ladder)trans-121.2141.9175.1-65.3-178.5000110V132 E133 L134 R135 I181 V200 F208 L214 L217 F229V132-L231 HydrophobicContact CG1-CD1 3.82Å; V132-L231 HydrophobicContact CG1-CG 4.12Å; E133-L231 PolarHBondContact O-N 3.06Å; L134-L231 WeakPolarHBondContact CA-O 3.15Å; L134-L231 HydrophobicContact CD1-CB 4.06Å; R135-L231 PolarHBondContact N-O 2.86Å; I181-L231 HydrophobicContact CD1-CD1 3.66Å; V200-L231 HydrophobicContact CG1-CB 4.33Å; V200-L231 HydrophobicContact CG1-CD1 4.28Å; F208-L231 HydrophobicContact CE2-CD2 3.95Å; L214-L231 HydrophobicContact CD2-CD1 3.84Å; L217-L231 HydrophobicContact CD1-CD2 4.41Å; F229-L231 HydrophobicContact CD1-CD1 4.44Å; F229-L231 HydrophobicContact CD1-CD2 4.09Å; F229-L231 HydrophobicContact CD1-CG 4.13Å; F229-L231 HydrophobicContact CE1-CD1 4.47Å; F229-L231 HydrophobicContact CE1-CD2 3.6Å; F229-L231 HydrophobicContact CE1-CG 4.15Å; F229-L231 HydrophobicContact CZ-CD2 4.15Å
232Y93.2Very high80.6Confident47 Ų4772.9 Ų72.918%0.18437%0.366CS..EExtended strand (participates in β ladder)trans-107153173.4-62.4-85.4000110.6R135 W137 V200 F201 K230R135-Y232 HydrophobicContact CB-CD1 4.1Å; R135-Y232 HydrophobicContact CB-CE1 4.28Å; R135-Y232 CarbonylContact O-C 3.5Å; R135-Y232 VanDerWaalsContact O-CA 3.26Å; R135-Y232 WeakPolarHBondContact O-CA 3.44Å; W137-Y232 AromaticContact CE3-CD1 3.79Å; W137-Y232 HydrophobicContact CE3-CD1 3.79Å; W137-Y232 HydrophobicContact CE3-CD2 4.48Å; W137-Y232 HydrophobicContact CE3-CE1 4.24Å; W137-Y232 AromaticContact CE3-CG 3.91Å; W137-Y232 HydrophobicContact CE3-CG 3.91Å; W137-Y232 HydrophobicContact CZ3-CD1 4.37Å; W137-Y232 HydrophobicContact CZ3-CE1 4.45Å; W137-Y232 HydrophobicContact CZ3-CG 4.41Å; V200-Y232 WeakPolarHBondContact CA-O 3.25Å; F201-Y232 HydrophobicContact CE2-CG 4.26Å; F201-Y232 PolarHBondContact N-O 3.02Å; F201-Y232 PolarHBondContact O-N 3.48Å; K230-Y232 HydrophobicContact CD-CE2 4.26Å; K230-Y232 WeakPolarHBondContact CE-OH 3.46Å; K230-Y232 HydrophobicContact CG-CE2 4.34Å; K230-Y232 PolarHBondContact NZ-OH 2.76Å
233F93.1Very high78.5Confident5 Ų581.2 Ų81.22%0.02240%0.395CS..EExtended strand (participates in β ladder)trans-138.5152.9171.672.3-82000112.7L134 R135 Y136 W137 I185 F189 S199 V200 I235L134-F233 HydrophobicContact CD1-CB 4.38Å; L134-F233 HydrophobicContact CD1-CD1 3.66Å; L134-F233 HydrophobicContact CD1-CE1 4.42Å; L134-F233 HydrophobicContact CD1-CG 4.39Å; L134-F233 HydrophobicContact CD2-CD1 4.22Å; L134-F233 HydrophobicContact CD2-CE1 4.33Å; L134-F233 HydrophobicContact CG-CD1 3.63Å; L134-F233 HydrophobicContact CG-CE1 3.89Å; R135-F233 VanDerWaalsContact C-CE1 3.45Å; R135-F233 VanDerWaalsContact O-CD1 3.22Å; R135-F233 WeakPolarHBondContact O-CD1 3.24Å; R135-F233 PolarHBondContact O-N 3.43Å; Y136-F233 HydrophobicContact CD2-CD2 4.03Å; Y136-F233 AromaticContact CD2-CE2 3.58Å; Y136-F233 HydrophobicContact CD2-CE2 3.58Å; Y136-F233 AromaticContact CD2-CZ 3.89Å; Y136-F233 HydrophobicContact CD2-CZ 3.89Å; Y136-F233 HydrophobicContact CE2-CE2 4.41Å; Y136-F233 HydrophobicContact CG-CE2 4.46Å; Y136-F233 HydrophobicContact CG-CZ 4.36Å; Y136-F233 VanDerWaalsContact N-CE1 3.33Å; W137-F233 WeakPolarHBondContact CB-O 3.45Å; W137-F233 PolarHBondContact N-O 3.36Å; I185-F233 HydrophobicContact CD1-CB 3.6Å; I185-F233 HydrophobicContact CD1-CD1 4.22Å; I185-F233 HydrophobicContact CD1-CD2 3.9Å; I185-F233 HydrophobicContact CD1-CG 3.65Å; I185-F233 HydrophobicContact CG1-CD2 4.29Å; I185-F233 HydrophobicContact CG1-CG 4.35Å; I185-F233 HydrophobicContact CG2-CD2 3.76Å; I185-F233 HydrophobicContact CG2-CE2 3.85Å; F189-F233 HydrophobicContact CD2-CE2 4.48Å; F189-F233 AromaticContact CE2-CE2 3.73Å; F189-F233 HydrophobicContact CE2-CE2 3.73Å; F189-F233 AromaticContact CE2-CZ 3.72Å; F189-F233 HydrophobicContact CE2-CZ 3.72Å; F189-F233 HydrophobicContact CZ-CE2 4.28Å; F189-F233 HydrophobicContact CZ-CZ 4Å; S199-F233 CarbonylContact O-C 3.32Å; S199-F233 WeakPolarHBondContact O-CA 3.41Å; S199-F233 WeakPolarHBondContact O-CB 3.43Å; V200-F233 HydrophobicContact CG2-CB 4.31Å; F233-I235 HydrophobicContact CD2-CD1 4.5Å; F233-I235 HydrophobicContact CD2-CG1 4.3Å; F233-I235 HydrophobicContact CE2-CD1 4.02Å; F233-I235 HydrophobicContact CE2-CG1 4.32Å
234T92Very high76Confident20 Ų2084.6 Ų84.612%0.12343%0.425CS..EExtended strand (participates in β ladder)trans-124.915117154.40000110.4W137 V198 S199 F201W137-T234 HydrophobicContact CB-CG2 3.68Å; W137-T234 HydrophobicContact CG-CG2 4.09Å; V198-T234 WeakPolarHBondContact CA-O 3.32Å; S199-T234 PolarHBondContact N-O 3.02Å; S199-T234 VanDerWaalsContact N-O 3.12Å; S199-T234 PolarHBondContact O-N 2.97Å; F201-T234 HydrophobicContact CE1-CG2 3.73Å; F201-T234 HydrophobicContact CZ-CG2 3.99Å
235I91.5Very high73.9Confident40 Ų4088.1 Ų88.121%0.20545%0.453CS..EExtended strand (participates in β ladder)trans-118.3123.8170.4-59.8160000106.5Y136 I185 F189 L191 H196 E197 V198 F233Y136-I235 HydrophobicContact CE2-CD1 4.46Å; I185-I235 HydrophobicContact CG2-CD1 4.42Å; I185-I235 HydrophobicContact CG2-CG1 4.4Å; F189-I235 HydrophobicContact CB-CD1 4.5Å; F189-I235 HydrophobicContact CD2-CD1 4.02Å; F189-I235 HydrophobicContact CE2-CD1 4.43Å; F189-I235 HydrophobicContact CG-CD1 4.19Å; L191-I235 HydrophobicContact CD1-CB 4.38Å; L191-I235 HydrophobicContact CD1-CD1 3.73Å; L191-I235 HydrophobicContact CD1-CG1 3.76Å; L191-I235 HydrophobicContact CD1-CG2 3.69Å; L191-I235 HydrophobicContact CD2-CG2 4.1Å; H196-I235 HydrophobicContact CB-CG2 4.36Å; E197-I235 WeakPolarHBondContact O-CA 3.27Å; V198-I235 HydrophobicContact CG2-CG1 4.41Å; F233-I235 HydrophobicContact CD2-CD1 4.5Å; F233-I235 HydrophobicContact CD2-CG1 4.3Å; F233-I235 HydrophobicContact CE2-CD1 4.02Å; F233-I235 HydrophobicContact CE2-CG1 4.32Å
236K89.1Confident71.8Confident72 Ų7290.3 Ų90.331%0.31348%0.475SS..EExtended strand (participates in β ladder)trans-119.4132.3176.7-64.2177.7-174.5167.80108.9H196 E197 F286H196-K236 CarbonylContact C-O 3.55Å; H196-K236 WeakPolarHBondContact CA-O 3.29Å; E197-K236 HydrophobicContact CB-CB 4.42Å; E197-K236 PolarHBondContact N-O 2.95Å; E197-K236 PolarHBondContact O-N 2.8Å; K236-F286 HydrophobicContact CD-CZ 4.27Å
237E88.2Confident69.5Low159 Ų15991.6 Ų91.674%0.74348%0.483SS*.EExtended strand (participates in β ladder)trans-75.6128.6172.8-167.5174.9-176.300109.7E195E195-E237 CarbonylContact O-C 3.49Å; E195-E237 WeakPolarHBondContact O-CA 3.5Å
238T81.8Confident66.9Low56 Ų5693.5 Ų93.534%0.34449%0.492SS..  trans-97.693.1174.558.40000108.2S194 E195 E197 R240S194-T238 PolarHBondContact O-OG1 3.04Å; E195-T238 WeakPolarHBondContact CA-OG1 3.34Å; E195-T238 PolarHBondContact O-N 2.91Å; E195-T238 PolarHBondContact O-OG1 3.36Å; E197-T238 HydrophobicContact CB-CG2 3.87Å; T238-R240 PolarHBondContact O-N 2.87Å; T238-R240 VanDerWaalsContact O-N 3.14Å
239S66.5Low64.3Low101 Ų10196.8 Ų96.871%0.70652%0.516SS*.  trans-61.6115.9177.458.70000110.6H241S239-H241 PolarHBondContact O-N 3.44Å
240R56.6Low61.6Low194 Ų194105.4 Ų105.473%0.73256%0.556SS**  trans-76.4109161.6-68.5-177.1176.8-162.7-7107.3T238 G242T238-R240 PolarHBondContact O-N 2.87Å; T238-R240 VanDerWaalsContact O-N 3.14Å; R240-G242 VanDerWaalsContact C-N 3.26Å; R240-G242 PolarHBondContact O-N 2.85Å
241H49.5Very low59Low177 Ų177108.4 Ų108.482%0.81958%0.58SS**  trans-63.196.1159-95.9-53.9000107.8S239 F243S239-H241 PolarHBondContact O-N 3.44Å; H241-F243 PolarHBondContact O-N 3.48Å
242G38.3Very low56.3Low68 Ų68113.6 Ų113.670%0.70161%0.614SS**  trans-72.2114.116700000109.3R240 S244R240-G242 VanDerWaalsContact C-N 3.26Å; R240-G242 PolarHBondContact O-N 2.85Å; G242-S244 PolarHBondContact O-N 3.48Å
243F34.3Very low53.6Low213 Ų213116.6 Ų116.693%0.93464%0.642SS**  trans-76.8109.7152-84.7-87.5000107.1H241H241-F243 PolarHBondContact O-N 3.48Å
244S29.3Very low50.9Low111 Ų111122.1 Ų122.178%0.77668%0.676SS**  trans-135.990.5170.7173.20000108.8G242G242-S244 PolarHBondContact O-N 3.48Å
245V33.2Very low48.3Very low140 Ų140125.7 Ų125.785%0.84870%0.702SS**  trans-159.4120.2151.2-160.50000103
246V36.3Very low45.8Very low123 Ų123128.5 Ų128.575%0.74573%0.725SS**  -158.2126.672.5173.90000109E248V246-E248 HydrophobicContact CG1-CB 4.44Å
247M32.4Very low43.2Very low186 Ų186131.6 Ų131.692%0.91675%0.745SS**  trans-85.2128.6152.1-76.7179.395.700107.2
248E33.9Very low40.9Very low172 Ų172131.4 Ų131.480%0.80475%0.748SS**  trans-150.9139.9150.7-158.582.9-131.600108.1V246V246-E248 HydrophobicContact CG1-CB 4.44Å
249S36Very low38.7Very low104 Ų104133.4 Ų133.473%0.72776%0.76SS**  trans-69.2148.9-162.839.40000117.6
250Q33.7Very low37.2Very low183 Ų183139.5 Ų139.586%0.85577%0.768SS**  trans-66.5179.1162.1-104.4-165.94.300112.9
251P36.5Very low36.3Very low106 Ų106134.6 Ų134.669%0.68876%0.763SS**  cis-144.7-148.611.630.5-2.1000113.9
252P37.8Very low35.7Very low108 Ų108133.2 Ų133.270%0.70176%0.761SS**  -129.7-173.3-70.339.3-22.1000115.2
253S36.6Very low35.7Very low110 Ų110136.3 Ų136.377%0.76976%0.76SS**  trans86.7139.8158.780.70000116.6
254T36.4Very low35.6Very low121 Ų121133.4 Ų133.474%0.74275%0.749SS**  cis-162.4153.918.3-35.50000111.7
255S37.3Very low36Very low96 Ų96137 Ų13767%0.67175%0.751SS**  trans75.6114.5141.854.50000124.4
256S37.7Very low36Very low98 Ų98135.2 Ų135.269%0.68575%0.745SS**  69.9142.9126.969.20000119.4
257N36Very low36.1Very low138 Ų138138.1 Ų138.174%0.73875%0.747SS**  cis-176.91603.6-108.4-11.8000108.1
258L39.2Very low36.1Very low154 Ų154136.9 Ų136.981%0.80674%0.743SS**  trans70141.7147.5-70.3156.9000118.5
259T35.8Very low36Very low98 Ų98134.2 Ų134.260%0.60174%0.742SS**  cis-173.1153.5-12.8-31.80000107.4
260R34.9Very low35.9Very low230 Ų230135 Ų13587%0.86874%0.744SS**  trans45.4143.8142.5-89.4172.9173.1177.8-3.1119.9
261S37.5Very low35.8Very low90 Ų90135.3 Ų135.363%0.62975%0.746SS**  cis173.2136.732.232.80000108.7
262I37Very low35.6Very low149 Ų149136 Ų13676%0.76475%0.754SS**  85139.7109.5-61.4164.3000118.1
263L37.6Very low35.1Very low133 Ų133137.8 Ų137.870%0.69676%0.757SS**  trans96.4103.7152.5-120.554000117.7
264E33.5Very low34.8Very low151 Ų151141.3 Ų141.371%0.70676%0.761SS**  79.4116.462.6-164.4-167.7-122.600113.4
265K37.8Very low34.5Very low187 Ų187140.7 Ų140.781%0.81376%0.762SS**  174.6141123.9-94.3168.8-174.9175.60115.1
266S33.1Very low34.1Very low102 Ų102141.6 Ų141.671%0.71377%0.768SS**  trans-73.4157.818053.10000117.2
267K37.3Very low33.4Very low184 Ų184148.7 Ų148.780%0.878%0.78SS**  169.6113.1125.5-94.8173178.2-176.60111.2
268I33.1Very low32.9Very low160 Ų160147.3 Ų147.382%0.82178%0.781SS**  71.5116.399.3-62.8172.9000115.2
269C30.8Very low32.5Very low116 Ų116145.5 Ų145.578%0.78478%0.776SS**  trans-81.5172.3168.8-59.40000112.5
270P33.4Very low31.9Very low120 Ų120150.8 Ų150.878%0.77979%0.791SS**  -151.1155.787.135-14000118.2
271Q32.4Very low31.8Very low190 Ų190145 Ų14589%0.88879%0.786SS**  trans29.9124.5146.8-62-178.2-10.600122.7
272S33.1Very low31.3Very low122 Ų122150.6 Ų150.685%0.85380%0.799SS**  -162.9157.6128.862.90000112.3
273N26.8Very low31Very low145 Ų145148.3 Ų148.378%0.77580%0.796SS**  trans-78.1172-159.9-69.8-39.2000116.2
274H30.1Very low30.8Very low184 Ų184151.1 Ų151.185%0.85280%0.797SS**  trans98.3104.8164.5-62.1-86.1000116.8
275S30.6Very low30.5Very low108 Ų108151 Ų15176%0.75580%0.801SS**  176.6125.4124.441.10000113.4
276S27.7Very low30.2Very low114 Ų114148.4 Ų148.480%0.79779%0.79SS**  trans18.7108140.6-169.90000118S278S276-S278 PolarHBondContact O-N 3.18Å
277W24.3Very low30.1Very low247 Ų247149.3 Ų149.394%0.93679%0.794SS**  trans-89.797.2166.1-79.524.7000110
278S25.5Very low29.7Very low110 Ų110147.5 Ų147.577%0.76980%0.799SS**  trans-88.2105.1164.3-157.60000108.2S276 K280S276-S278 PolarHBondContact O-N 3.18Å; S278-K280 PolarHBondContact O-N 3.46Å
279V29.4Very low29.6Very low115 Ų115144.2 Ų144.270%0.69779%0.789SS**  trans-88.8102.6175.4179.20000108.8S281V279-S281 PolarHBondContact O-N 3.31Å
280K24.7Very low29.4Very low209 Ų209144.7 Ų144.791%0.90979%0.794SS**  trans-69.599.6163.4-90.5174.2172.1172.90109.3S278S278-K280 PolarHBondContact O-N 3.46Å
281S31.2Very low29.2Very low109 Ų109145.6 Ų145.676%0.76279%0.792SS**PPolyproline II helixtrans-90.9116.8164.945.60000110.3V279 S283V279-S281 PolarHBondContact O-N 3.31Å; S281-S283 PolarHBondContact O-N 3.45Å
282K28.8Very low29Very low207 Ų207147.7 Ų147.790%0.979%0.792SS**PPolyproline II helixtrans-59.2122174-76.2173.2171.3175.70110.5R284K282-R284 PolarHBondContact O-N 3.49Å
283S29.1Very low28.8Very low101 Ų101151.5 Ų151.571%0.70679%0.793SS**PPolyproline II helixtrans-70.5121.3172.163.50000110.6S281S281-S283 PolarHBondContact O-N 3.45Å
284R34Very low28.8Very low193 Ų193154.1 Ų154.173%0.72879%0.792SS**  trans-90.2113.4158.9-70.3-172.9-164.8170.47107.3E197 K282 F286E197-R284 IonicContact OE1-NH1 2.79Å; E197-R284 PolarHBondContact OE1-NH1 3.04Å; E197-R284 IonicContact OE2-NH1 3.05Å; K282-R284 PolarHBondContact O-N 3.49Å; R284-F286 PolarHBondContact O-N 3.44Å
285N28.1Very low28.7Very low147 Ų147150.7 Ų150.779%0.78678%0.78SS**  trans-69.4114.2178.3-69.4-16000109.8
286F31.2Very low28.7Very low133 Ų133151.6 Ų151.658%0.58378%0.78SS**  trans-103.8145.9157.2-84-80.6000108.5K236 R284 T288K236-F286 HydrophobicContact CD-CZ 4.27Å; R284-F286 PolarHBondContact O-N 3.44Å; F286-T288 PolarHBondContact O-N 3.44Å; F286-T288 VanDerWaalsContact O-N 3.09Å
287P29.7Very low28.6Very low122 Ų122151 Ų15179%0.79277%0.768SS**  trans-64.2114-175.824.6-31000110.2S289P287-S289 PolarHBondContact O-N 3.45Å
288T29.5Very low28.9Very low146 Ų146145.2 Ų145.290%0.89676%0.756SS**  trans-72104172.339.30000108.9F286F286-T288 PolarHBondContact O-N 3.44Å; F286-T288 VanDerWaalsContact O-N 3.09Å
289S31.3Very low29Very low90 Ų90143.1 Ų143.163%0.62974%0.741SS**  trans-96.5129.2159.660.10000108.2P287 L291P287-S289 PolarHBondContact O-N 3.45Å; S289-L291 VanDerWaalsContact C-N 3.27Å; S289-L291 PolarHBondContact O-N 3.28Å
290S27.2Very low29.3Very low126 Ų126142 Ų14288%0.88173%0.731SS**  trans-65.978.4-177.241.80000111.5
291L29.6Very low29.5Very low139 Ų139139.2 Ų139.273%0.72873%0.726SS**  trans-96.3105.6174-85.6147.2000109.4S289 K293S289-L291 VanDerWaalsContact C-N 3.27Å; S289-L291 PolarHBondContact O-N 3.28Å; L291-K293 PolarHBondContact O-N 3.49Å
292R27.2Very low29.8Very low235 Ų235139.3 Ų139.389%0.88772%0.715SS**  trans-36.8124.6166-76.5175.3171.2177.3-3109.9R294R292-R294 PolarHBondContact O-N 3.18Å
293K29Very low30Very low202 Ų202138.5 Ų138.588%0.87872%0.716SS**  trans-38.4101.8163.2-83.2176.6173.9176.10108.7L291 N295L291-K293 PolarHBondContact O-N 3.49Å; K293-N295 PolarHBondContact O-N 3.07Å
294R26.6Very low30.1Very low199 Ų199141.7 Ų141.775%0.75172%0.72SS**  trans-72.689.1160.4-97.2-176.8176.2157.32104.9H142 R292 V296H142-R294 PolarHBondContact CE1-NH1 3.39Å; R292-R294 PolarHBondContact O-N 3.18Å; R294-V296 PolarHBondContact O-N 3.22Å
295N27.7Very low30Very low113 Ų113136 Ų13660%0.60472%0.715SS**  trans-49.3119.5163.2-156.129.2000106.3K293 N297K293-N295 PolarHBondContact O-N 3.07Å; N295-N297 WeakPolarHBondContact CB-OD1 3.29Å; N295-N297 PolarHBondContact ND2-OD1 2.92Å; N295-N297 PolarHBondContact O-N 3.3Å
296V30.9Very low30.2Very low127 Ų127134.9 Ų134.977%0.7771%0.713SS**  trans-67.986.3162.2176.80000104.4R294 N298R294-V296 PolarHBondContact O-N 3.22Å; V296-N298 VanDerWaalsContact C-N 3.31Å; V296-N298 PolarHBondContact O-N 3.07Å
297N26.5Very low30.3Very low101 Ų101133.8 Ų133.854%0.5472%0.719SS.*  trans-64.795.7172.5-75.5-11.3000106.5N295 S299N295-N297 WeakPolarHBondContact CB-OD1 3.29Å; N295-N297 PolarHBondContact ND2-OD1 2.92Å; N295-N297 PolarHBondContact O-N 3.3Å; N297-S299 PolarHBondContact O-N 2.86Å; N297-S299 VanDerWaalsContact O-N 3.17Å
298N29.1Very low30.4Very low125 Ų125137.7 Ų137.767%0.66872%0.724SS**  trans-75.671.8136.8-88.42000106V296 D300V296-N298 VanDerWaalsContact C-N 3.31Å; V296-N298 PolarHBondContact O-N 3.07Å; N298-D300 VanDerWaalsContact C-N 3.25Å; N298-D300 PolarHBondContact O-N 3.41Å
299S29.4Very low30.4Very low66 Ų66139.5 Ų139.546%0.46272%0.723SS.*  trans-7486.3168.841.60000107.2N297 D301N297-S299 PolarHBondContact O-N 2.86Å; N297-S299 VanDerWaalsContact O-N 3.17Å; S299-D301 PolarHBondContact O-N 3.11Å; S299-D301 VanDerWaalsContact O-N 3.11Å
300D34.1Very low30.4Very low93 Ų93141.4 Ų141.450%0.49773%0.73SS.*  trans-76.764.2152.4-66.6-26.3000107.1N298 E302N298-D300 VanDerWaalsContact C-N 3.25Å; N298-D300 PolarHBondContact O-N 3.41Å; D300-E302 VanDerWaalsContact C-N 3.33Å; D300-E302 PolarHBondContact O-N 3.03Å
301D30.2Very low30.7Very low150 Ų150140.7 Ų140.780%0.80273%0.725SS**  trans-78.987.3166.7-80.3-51.7000107S299S299-D301 PolarHBondContact O-N 3.11Å; S299-D301 VanDerWaalsContact O-N 3.11Å
302E37.2Very low30.8Very low111 Ų111138.5 Ų138.552%0.51973%0.727SS.*  trans-85.7121.9167.8-78.6-170.5121.700109.7K113 D300 E304K113-E302 IonicContact NZ-OE2 2.8Å; K113-E302 PolarHBondContact NZ-OE2 2.94Å; D300-E302 VanDerWaalsContact C-N 3.33Å; D300-E302 PolarHBondContact O-N 3.03Å; E302-E304 PolarHBondContact O-N 3.14Å
303M33.2Very low31.2Very low189 Ų189132.9 Ų132.993%0.93172%0.721SS**  trans-62.4120174.7-141169.2-167.700109.5A305M303-A305 PolarHBondContact O-N 3.16Å
304E30.2Very low31.2Very low168 Ų168130.7 Ų130.779%0.78572%0.719SS**  trans-68.2105.8174.1-159.1170.5-165.800108.2E302E302-E304 PolarHBondContact O-N 3.14Å
305A32.5Very low31.5Very low75 Ų75127 Ų12762%0.6272%0.724SS**  trans-105.3113.7174.500000108.5M303M303-A305 PolarHBondContact O-N 3.16Å
306T31.6Very low31.6Very low123 Ų123131.3 Ų131.376%0.75574%0.737SS**PPolyproline II helixtrans-55.6138.5179.547.70000112.4
307P33.9Very low31.7Very low110 Ų110133.1 Ų133.171%0.71474%0.741SS**PPolyproline II helixtrans-82.2126.1-17723.4-17000111.8
308F32.5Very low31.7Very low203 Ų203133.7 Ų133.789%0.8975%0.753SS**PPolyproline II helixtrans-95.3125.9162.8-113.4-89.9000109.2
309E27.5Very low31.8Very low185 Ų185133.1 Ų133.186%0.86476%0.758SS**PPolyproline II helixtrans-66.7123.5174.5-65.5177.8134.900111.5
310V33Very low31.7Very low129 Ų129139.5 Ų139.578%0.78278%0.781SS**  trans-150.8108.1148.1-171.30000110.8
311S33.7Very low31.5Very low111 Ų111140.4 Ų140.478%0.77679%0.794SS**  trans27.6118.7133.6-32.30000120.5
312A30.4Very low31.3Very low93 Ų93138.5 Ų138.577%0.76979%0.793SS**  trans-68.5163160.400000111.1
313P34.9Very low30.8Very low117 Ų117138.9 Ų138.976%0.7681%0.806SS**  -154.6167.565.138.7-16.2000118.9
314N29.6Very low30.4Very low156 Ų156139.7 Ų139.783%0.83481%0.805SS**  trans50.1113.2145.5-82-19.3000121.5
315S34.2Very low30.5Very low122 Ų122138.7 Ų138.785%0.85380%0.803SS**  -162.4138.8120.746.10000112.5
316K29.3Very low30.2Very low203 Ų203140.6 Ų140.688%0.88381%0.812SS**  trans-72.5135179.5-63.4165.7174.8175.70110.2
317I32.3Very low30.2Very low166 Ų166141.7 Ų141.785%0.85181%0.812SS**  trans-143.3121.2146.5-84.8140.3000108.2
318S26.1Very low30Very low113 Ų113142.4 Ų142.479%0.7982%0.817SS**  trans-80.3136.9169.3580000110.7
319S32.3Very low29.8Very low113 Ų113139.2 Ų139.279%0.7982%0.815SS**  trans-152.9123.9143.948.20000109.8
320Q27.4Very low30.1Very low199 Ų199138.6 Ų138.693%0.9381%0.812SS**  trans-73.5131.1175.1-68.3168.5-20.900109.1
321S30.4Very low29.9Very low112 Ų112140.7 Ų140.778%0.78381%0.811SS**  trans-143.1112.315062.90000109.3
322S25.1Very low29.9Very low111 Ų111143.3 Ų143.378%0.77681%0.814SS**  trans-82.4123.3177.750.20000110.2
323C27.7Very low30.1Very low118 Ų118147.1 Ų147.180%0.79781%0.814SS**  trans-125.6100.4163.5-64.60000108.6
324K24.8Very low29.9Very low207 Ų207146.8 Ų146.890%0.981%0.814SS**  trans-72.5119.8169.5-69.2173.7177.2174.30108.1
325I31.7Very low30.1Very low146 Ų146146 Ų14675%0.74981%0.808SS**  trans-120.6105.1162.2-63.1173.6000106.9
326S26.6Very low29.8Very low115 Ų115145.7 Ų145.780%0.80481%0.806SS**PPolyproline II helixtrans-74.3121.2171.444.80000109.9
327L30Very low30.1Very low146 Ų146142.2 Ų142.276%0.76480%0.797SS**PPolyproline II helixtrans-96.1142.4164.6-82.5107.7000110.6T329L327-T329 PolarHBondContact O-N 3.25Å
328P29.7Very low30Very low126 Ų126140.1 Ų140.182%0.81880%0.797SS**PPolyproline II helixtrans-68.8121.2176.3-7.122.9000110.1Q330P328-Q330 PolarHBondContact O-N 2.94Å
329T29.5Very low30.6Very low136 Ų136138.1 Ų138.183%0.83478%0.782SS**  trans-85.895.1170.619.90000108.7L327L327-T329 PolarHBondContact O-N 3.25Å
330Q33.4Very low30.8Very low171 Ų171138.6 Ų138.680%0.79978%0.783SS**  trans-146.2135.6159.7-64.4-166.43.400111.2P328P328-Q330 PolarHBondContact O-N 2.94Å
331F28.7Very low31.4Very low173 Ų173136.4 Ų136.476%0.75977%0.774SS**  trans81.768.4173.3-71-83.8000118.9
332I34.6Very low31.9Very low166 Ų166136.6 Ų136.685%0.85177%0.766SS**  trans-97.2104143.4-63.1175.7000106.8
333K32.9Very low32.2Very low174 Ų174138.3 Ų138.376%0.75777%0.767SS**  trans-80.4118.4159.6-88.9-180176.5176.80107.4I335K333-I335 PolarHBondContact O-N 2.99Å
334S31Very low32.6Very low110 Ų110137.7 Ų137.777%0.76976%0.76SS**  trans-45.8120.9177.448.70000113.3
335I33.9Very low32.9Very low138 Ų138133.6 Ų133.671%0.70876%0.757SS**  trans-111.2105.5155-63.4174.9000106.3K333 L337K333-I335 PolarHBondContact O-N 2.99Å; I335-L337 HydrophobicContact CG2-CD1 3.71Å; I335-L337 HydrophobicContact CG2-CG 4.4Å; I335-L337 PolarHBondContact O-N 3.19Å
336S28.6Very low33.1Very low117 Ų117130.9 Ų130.982%0.81875%0.751SS**  trans-78.7106.4169.254.70000108.8
337L35.1Very low33.4Very low130 Ų130130.4 Ų130.468%0.68175%0.748SS**  trans-137.7100.8167.4-95.8151.3000108.9I335 S339I335-L337 HydrophobicContact CG2-CD1 3.71Å; I335-L337 HydrophobicContact CG2-CG 4.4Å; I335-L337 PolarHBondContact O-N 3.19Å; L337-S339 PolarHBondContact O-N 3.18Å
338S31.6Very low33.9Very low122 Ų122127.5 Ų127.585%0.85374%0.736SS**  trans-7099.9164.950.20000109
339S36.9Very low34.1Very low70 Ų70124.6 Ų124.649%0.4972%0.717SS.*  trans-126.3123.6166.8-740000108.9L337 M341L337-S339 PolarHBondContact O-N 3.18Å; S339-M341 PolarHBondContact O-N 3.36Å
340P36.5Very low34.3Very low123 Ų123122.9 Ų122.980%0.79971%0.711SS**G310 helixtrans-78.617.4-172.931.2-33.7000114.6L342P340-L342 VanDerWaalsContact C-N 3.28Å; P340-L342 PolarHBondContact O-N 2.92Å
341M41.8Very low34.4Very low153 Ų153117.8 Ų117.875%0.75470%0.695SS**G310 helixtrans-86.29-178.4-67.2-96.186.300113.9S339S339-M341 PolarHBondContact O-N 3.36Å
342L39.8Very low34.7Very low117 Ų117115 Ų11561%0.61369%0.687SS**G310 helixtrans-93.94.5-176.6-79.6163.3000114.9P340P340-L342 VanDerWaalsContact C-N 3.28Å; P340-L342 PolarHBondContact O-N 2.92Å
343N31.7Very low34.5Very low146 Ų146112 Ų11278%0.78169%0.687SS**  trans-114.376.5176.1-80.31.2000111.4
344T36.2Very low34.6Very low106 Ų106109 Ų10965%0.6568%0.684SS**  trans-124.868.3152.252.50000108.7S346T344-S346 PolarHBondContact O-N 3.41Å; T344-S346 VanDerWaalsContact O-N 3.17Å
345S30.5Very low34.8Very low120 Ų120108.9 Ų108.984%0.83968%0.679SS**  trans-7787.8164.454.40000108.9
346S36.2Very low34.9Very low90 Ų90107.3 Ų107.363%0.62968%0.678SS**  trans-148.4100.7160.661.10000109.4T344T344-S346 PolarHBondContact O-N 3.41Å; T344-S346 VanDerWaalsContact O-N 3.17Å
347S32.1Very low35.2Very low105 Ų105106.7 Ų106.773%0.73467%0.669SS**  trans27.599.8154.968.10000118.1
348V41Very low35.3Very low85 Ų85105.3 Ų105.352%0.51567%0.669SS.*  trans-136.350.9148.9-154.50000109.7
349C33.9Very low35.5Very low64 Ų64104.1 Ų104.143%0.43266%0.656SS.*SBendtrans-113.425.4167.3-1180000111.2F97F97-C349 HydrophobicContact CD2-CB 3.62Å; F97-C349 HydrophobicContact CE2-CB 3.66Å; F97-C349 WeakPolarHBondContact CE2-O 3.25Å; F97-C349 HydrophobicContact CG-CB 4.16Å; F97-C349 HydrophobicContact CZ-CB 4.22Å; F97-C349 WeakPolarHBondContact CZ-O 3.37Å
350S33.7Very low35.4Very low100 Ų100106.6 Ų106.670%0.69967%0.668SS**SBendtrans-12631.4-175.3-49.30000112.5
351S34.7Very low35.3Very low65 Ų65105.3 Ų105.346%0.45566%0.658SS.*SBendtrans-137.125.6179.8-50.50000114
352L35.6Very low34.8Very low114 Ų114101.3 Ų101.360%0.59765%0.65SS**  trans-125.869.6163.8-80.8158.6000106.9
353A31.9Very low34.3Very low104 Ų10499.9 Ų99.986%0.8665%0.654SS**  trans-143.70162.800000106

Retrieved 353 of 353 residues in 390.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).