A0A087XYS7_POEFO Loading...

Saccharopine dehydrogenase-like oxidoreductase

AlphaFold DB , UniProt , Accession A0A087XYS7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.5Very low29.7Very low236 Ų236176.6 Ų176.6100%1.16389%0.894SS**  0120.80-149.8168.2-175.900106.7
2N33Very low29.7Very low146 Ų146175.8 Ų175.878%0.78189%0.894SS**  trans59.2103.9172-64-8.1000119.1
3T29.4Very low29.8Very low141 Ų141180.6 Ų180.687%0.86589%0.894SS**  171.691.1101.938.30000109.4
4M28.2Very low29.9Very low188 Ų188173.5 Ų173.593%0.92689%0.89SS**  trans-164.963.7166.4-129.4-170.5153.900111.3
5N30.8Very low29.8Very low173 Ų173172.3 Ų172.393%0.92589%0.886SS**  trans-167.680.8167.7-98.9-22.2000110.4
6A29.8Very low30Very low97 Ų97168.6 Ų168.680%0.80288%0.877SS**  trans-163.672.9166.100000110
7L28.6Very low30.4Very low173 Ų173168.5 Ų168.591%0.90688%0.876SS**SBendtrans-158.131166-105.6173000113.6
8Y28.1Very low30.6Very low231 Ų231168.3 Ų168.391%0.90688%0.875SS**SBendtrans-127.430.2179.9-109.7-73.8000114.9
9T30.5Very low30.8Very low129 Ų129165 Ų16579%0.79187%0.868SS**  trans-148.465.2-176.3-32.60000113.4
10F27.3Very low31.3Very low191 Ų191161.5 Ų161.584%0.83886%0.864SS**  trans-155.689.4158.5-99.4-77.2000110.2
11Y27.6Very low31.9Very low238 Ų238155.9 Ų155.993%0.93384%0.844SS**  trans-172.173.7144.2-105.5-74.5000107.9
12N30.2Very low32.8Very low167 Ų167148.7 Ų148.789%0.89381%0.814SS**  trans-149.185.9165.9-118.2-8.8000108.4
13R31Very low34Very low238 Ų238149.3 Ų149.390%0.89881%0.814SS**  trans-136.6128158.5-76.4-166.4-177.8-176.71.6107.9
14G30.7Very low35.7Very low81 Ų81143.6 Ų143.684%0.83578%0.781SS**  trans-68.4147-15900000114.7
15N28.3Very low37.9Very low155 Ų155144.5 Ų144.583%0.82977%0.774SS**  trans-115146.7154.4-111.9-17.8000107.4
16P32.5Very low40.5Very low114 Ų114136.9 Ų136.974%0.7473%0.733SS**  trans-64.8145.8-169.127.1-32.2000111.2L18P16-L18 PolarHBondContact O-N 2.94Å
17I36.9Very low43Very low167 Ų167139.2 Ų139.286%0.85673%0.728SS**  trans-4296.5-173.8-57.7165.9000111.5
18L34.6Very low45.9Very low164 Ų164133.1 Ų133.186%0.85970%0.698SS**  trans-69.4125.6146.5-77.1161.7000105.2P16 A20P16-L18 PolarHBondContact O-N 2.94Å; L18-A20 PolarHBondContact O-N 3.19Å; L18-A20 VanDerWaalsContact O-N 3.08Å
19S34.4Very low48.8Very low106 Ų106125.8 Ų125.874%0.74168%0.677SS**  trans-49.6124.3178.263.10000108.8G21S19-G21 PolarHBondContact O-N 3.13Å
20A41Very low51.3Low95 Ų95125.1 Ų125.179%0.78568%0.677SS**  trans-56107.4169.400000105.9L18 T22L18-A20 PolarHBondContact O-N 3.19Å; L18-A20 VanDerWaalsContact O-N 3.08Å; A20-T22 PolarHBondContact O-N 3.44Å; A20-T22 VanDerWaalsContact O-N 3.15Å
21G43.4Very low54.2Low44 Ų44122 Ų12245%0.45467%0.67SS.*  trans-52.6125.6174.100000107.5S19 M23S19-G21 PolarHBondContact O-N 3.13Å; G21-M23 PolarHBondContact O-N 3.5Å
22T53.2Low57.4Low85 Ų85113.4 Ų113.452%0.52164%0.636SS.*  trans-54.3113.2179.3-52.20000108.3A20A20-T22 PolarHBondContact O-N 3.44Å; A20-T22 VanDerWaalsContact O-N 3.15Å
23M58Low60.6Low159 Ų159107.4 Ų107.478%0.78361%0.606SS**  trans-55.5145.2173.7-79.8-157-70.100109.9G21 R25G21-M23 PolarHBondContact O-N 3.5Å; M23-R25 PolarHBondContact O-N 2.93Å; M23-R25 VanDerWaalsContact O-N 3.11Å
24A64.4Low63.8Low21 Ų2197.2 Ų97.217%0.17457%0.568CS.*  trans-51.8117.6176.200000110V26 F172A24-V26 HydrophobicContact CB-CG1 4.26Å; A24-V26 PolarHBondContact O-N 3.22Å; A24-F172 HydrophobicContact CB-CD2 3.99Å; A24-F172 HydrophobicContact CB-CE2 3.32Å; A24-F172 HydrophobicContact CB-CZ 4.15Å
25R75.5Confident67Low207 Ų20794 Ų9478%0.78153%0.531SS*.  trans-84.6100.7173.2-72.9-173.5179.5178.70.2108.7M23 H144M23-R25 PolarHBondContact O-N 2.93Å; M23-R25 VanDerWaalsContact O-N 3.11Å; R25-H144 PolarHBondContact O-NE2 3.12Å
26V83.8Confident70.3Confident12 Ų1286.7 Ų86.77%0.07349%0.492CS..  trans-1029.3179-61.60000113.8A24 V118 M410 L411 P414A24-V26 HydrophobicContact CB-CG1 4.26Å; A24-V26 PolarHBondContact O-N 3.22Å; V26-V118 HydrophobicContact CB-CG1 4.4Å; V26-M410 HydrophobicContact CG1-CE 4.24Å; V26-M410 HydrophobicContact CG1-CG 4.35Å; V26-L411 HydrophobicContact CB-CD2 4.3Å; V26-P414 HydrophobicContact CB-CB 4.46Å; V26-P414 HydrophobicContact CG1-CB 4.05Å; V26-P414 HydrophobicContact CG2-CB 3.56Å; V26-P414 HydrophobicContact CG2-CG 3.56Å
27E83.7Confident73.5Confident147 Ų14781.2 Ų81.269%0.68746%0.456SS*.SBendtrans-94.5147.5-179.4-62.2-173.4166.100112.3V118E27-V118 WeakPolarHBondContact O-CG2 3.45Å
28T88.1Confident76.5Confident45 Ų4573.3 Ų73.328%0.27642%0.415SS..  trans-73.7150.9171.644.60000111.6R32 P33 H35 V118T28-R32 VanDerWaalsContact CA-O 3.3Å; T28-R32 WeakPolarHBondContact CA-O 3.48Å; T28-R32 VanDerWaalsContact CB-O 3.31Å; T28-R32 WeakPolarHBondContact CB-O 3.45Å; T28-R32 WeakPolarHBondContact CG2-O 3.13Å; T28-P33 WeakPolarHBondContact CG2-O 3.26Å; T28-H35 HydrophobicContact CG2-CB 4.46Å; T28-H35 VanDerWaalsContact CG2-CD2 3.44Å; T28-H35 WeakPolarHBondContact CG2-CD2 3.44Å; T28-H35 WeakPolarHBondContact CG2-NE2 3.33Å; T28-H35 PolarHBondContact OG1-NE2 3.29Å; T28-V118 HydrophobicContact CG2-CG2 4.13Å
29T89.3Confident79.5Confident77 Ų7765.7 Ų65.747%0.47238%0.375SS..  trans-138.8174.7177.163.50000109.7N31 R32T29-N31 PolarHBondContact O-N 3.09Å; T29-N31 PolarHBondContact OG1-N 2.79Å; T29-R32 PolarHBondContact N-O 3.13Å; T29-R32 CarbonylContact O-C 3.06Å; T29-R32 PolarHBondContact O-N 3.36Å; T29-R32 VanDerWaalsContact O-N 3.13Å; T29-R32 VanDerWaalsContact O-O 3.06Å; T29-R32 PolarHBondContact OG1-N 3.23Å; T29-R32 VanDerWaalsContact OG1-N 3.09Å
30S83Confident82.6Confident114 Ų11461.1 Ų61.180%0.79735%0.346SS*.SBendtrans-56.1-32.9173.160.60000112.8
31N88.1Confident85.3Confident127 Ų12756.6 Ų56.668%0.67931%0.308SS*.SBendtrans-88.2-22.9-179.8-63.5-17.2000112.5T29 P33T29-N31 PolarHBondContact O-N 3.09Å; T29-N31 PolarHBondContact OG1-N 2.79Å; N31-P33 WeakPolarHBondContact O-CD 3.42Å
32R95.4Very high87.9Confident56 Ų5656.6 Ų56.621%0.21130%0.301CS..  trans-121.575.3174.9-70.7178.3-163.1-68.6-15.6110.4T28 T29 Y34 C114 K115 Q116 A117 V118 N141T28-R32 VanDerWaalsContact CA-O 3.3Å; T28-R32 WeakPolarHBondContact CA-O 3.48Å; T28-R32 VanDerWaalsContact CB-O 3.31Å; T28-R32 WeakPolarHBondContact CB-O 3.45Å; T28-R32 WeakPolarHBondContact CG2-O 3.13Å; T29-R32 PolarHBondContact N-O 3.13Å; T29-R32 CarbonylContact O-C 3.06Å; T29-R32 PolarHBondContact O-N 3.36Å; T29-R32 VanDerWaalsContact O-N 3.13Å; T29-R32 VanDerWaalsContact O-O 3.06Å; T29-R32 PolarHBondContact OG1-N 3.23Å; T29-R32 VanDerWaalsContact OG1-N 3.09Å; R32-Y34 PolarHBondContact O-N 2.93Å; R32-C114 PolarHBondContact NH1-O 3.07Å; R32-K115 WeakPolarHBondContact CG-O 3.45Å; R32-Q116 CarbonylContact C-O 3.31Å; R32-Q116 VanDerWaalsContact CA-O 3.27Å; R32-Q116 WeakPolarHBondContact CA-O 3.3Å; R32-A117 WeakPolarHBondContact CD-O 3.31Å; R32-A117 PolarHBondContact NH1-O 2.82Å; R32-V118 HydrophobicContact CB-CG2 4.33Å; R32-N141 PolarHBondContact NH1-O 3.49Å; R32-N141 PolarHBondContact NH2-O 3.3Å
33P96.9Very high89.9Confident42 Ų4254 Ų5427%0.27329%0.291SS..  trans-70-21.3-17527.4-35.6000113.5T28 N31 K66 Q116T28-P33 WeakPolarHBondContact CG2-O 3.26Å; N31-P33 WeakPolarHBondContact O-CD 3.42Å; P33-K66 WeakPolarHBondContact O-CB 3.27Å; P33-K66 WeakPolarHBondContact O-CD 3.48Å; P33-Q116 WeakPolarHBondContact CD-O 3.3Å
34Y98.2Very high91.7Very high24 Ų2448.2 Ų48.29%0.09426%0.262CS..EExtended strand (participates in β ladder)trans-104.5129.8-174.7-47.9-65.7000111.8R32 V37 A68 D98 I100 Q116 V118R32-Y34 PolarHBondContact O-N 2.93Å; Y34-V37 HydrophobicContact CD2-CG2 3.92Å; Y34-V37 HydrophobicContact CG-CG2 4.16Å; Y34-A68 HydrophobicContact CD1-CB 3.85Å; Y34-A68 HydrophobicContact CD2-CB 4.12Å; Y34-A68 HydrophobicContact CE1-CB 3.85Å; Y34-A68 HydrophobicContact CE2-CB 4.12Å; Y34-A68 HydrophobicContact CG-CB 3.99Å; Y34-D98 HydrophobicContact CE1-CB 3.9Å; Y34-D98 WeakPolarHBondContact CE1-OD2 3.38Å; Y34-D98 VanDerWaalsContact OH-CB 3.25Å; Y34-D98 WeakPolarHBondContact OH-CB 3.44Å; Y34-D98 VanDerWaalsContact OH-CG 3.32Å; Y34-D98 PolarHBondContact OH-OD2 3.33Å; Y34-I100 HydrophobicContact CD2-CD1 4.13Å; Y34-I100 HydrophobicContact CE2-CD1 3.75Å; Y34-Q116 HydrophobicContact CD2-CB 3.91Å; Y34-Q116 HydrophobicContact CE2-CB 4Å; Y34-Q116 PolarHBondContact N-O 2.98Å; Y34-V118 PolarHBondContact O-N 2.83Å
35H98.3Very high93.3Very high14 Ų1448.7 Ų48.77%0.06526%0.263CS..EExtended strand (participates in β ladder)trans-65.2-47.8166.7-56.597.5000109.6T28 L65 K66 V118 I119 L411T28-H35 HydrophobicContact CG2-CB 4.46Å; T28-H35 VanDerWaalsContact CG2-CD2 3.44Å; T28-H35 WeakPolarHBondContact CG2-CD2 3.44Å; T28-H35 WeakPolarHBondContact CG2-NE2 3.33Å; T28-H35 PolarHBondContact OG1-NE2 3.29Å; H35-L65 HydrophobicContact CB-CD1 3.69Å; H35-L65 HydrophobicContact CB-CG 4.47Å; H35-K66 WeakPolarHBondContact CB-O 3.44Å; H35-K66 PolarHBondContact N-O 3.42Å; H35-K66 PolarHBondContact ND1-N 2.84Å; H35-K66 PolarHBondContact ND1-O 2.85Å; H35-V118 WeakPolarHBondContact O-CB 3.27Å; H35-I119 PolarHBondContact O-N 3.03Å; H35-L411 HydrophobicContact CB-CD1 3.83Å; H35-L411 HydrophobicContact CB-CD2 4.2Å
36L98.6Very high94.4Very high0 Ų038.9 Ų38.90%023%0.225CC..EExtended strand (participates in β ladder)trans-122.6139-179.9-52.6-175.1000111.3V53 L65 K66 W67 A68 I119 L121 A407 L411L36-V53 HydrophobicContact CD1-CG1 4.41Å; L36-V53 HydrophobicContact CD1-CG2 4.19Å; L36-L65 HydrophobicContact CD1-CD1 4.33Å; L36-L65 HydrophobicContact CD1-CD2 3.65Å; L36-L65 HydrophobicContact CD1-CG 4.49Å; L36-L65 HydrophobicContact CG-CD1 4.18Å; L36-L65 HydrophobicContact CG-CD2 4.12Å; L36-L65 HydrophobicContact CG-CG 4.5Å; L36-K66 PolarHBondContact N-O 3.08Å; L36-W67 HydrophobicContact CB-CB 4.07Å; L36-W67 CarbonylContact O-C 3.59Å; L36-W67 WeakPolarHBondContact O-CA 3.44Å; L36-W67 VanDerWaalsContact O-CB 3.31Å; L36-W67 WeakPolarHBondContact O-CB 3.36Å; L36-A68 PolarHBondContact O-N 3.35Å; L36-I119 CarbonylContact C-O 3.56Å; L36-I119 WeakPolarHBondContact CA-O 3.46Å; L36-I119 HydrophobicContact CD2-CB 3.76Å; L36-I119 HydrophobicContact CD2-CD1 3.96Å; L36-I119 HydrophobicContact CD2-CG1 4.12Å; L36-I119 HydrophobicContact CD2-CG2 4.4Å; L36-L121 HydrophobicContact CD1-CD1 4.07Å; L36-A407 HydrophobicContact CD1-CB 4.28Å; L36-A407 HydrophobicContact CD2-CB 3.86Å; L36-L411 HydrophobicContact CD2-CD1 3.83Å; L36-L411 HydrophobicContact CG-CD1 4.3Å
37V98.9Very high95Very high0 Ų040.5 Ų40.50%023%0.232CC..EExtended strand (participates in β ladder)trans-121.7122.3162.3177.50000108.7Y34 F39 A68 A70 I100 M113 A117 I119 V120 L121Y34-V37 HydrophobicContact CD2-CG2 3.92Å; Y34-V37 HydrophobicContact CG-CG2 4.16Å; V37-F39 PolarHBondContact O-N 2.99Å; V37-A68 WeakPolarHBondContact CA-O 3.48Å; V37-A68 HydrophobicContact CG2-CB 4.31Å; V37-A70 HydrophobicContact CG1-CB 3.58Å; V37-I100 HydrophobicContact CG1-CD1 4.2Å; V37-I100 HydrophobicContact CG2-CD1 4.16Å; V37-M113 HydrophobicContact CG1-CG 3.8Å; V37-M113 HydrophobicContact CG1-SD 3.93Å; V37-A117 HydrophobicContact CB-CB 3.98Å; V37-A117 HydrophobicContact CG2-CB 3.52Å; V37-I119 PolarHBondContact N-O 2.89Å; V37-V120 WeakPolarHBondContact O-CA 3.37Å; V37-L121 PolarHBondContact O-N 2.95Å
38I98.9Very high95.8Very high0 Ų034 Ų340%020%0.201CC..EExtended strand (participates in β ladder)trans-89.4101.2179.6-51.2167.5000108.6A41 V49 V50 V53 W67 A68 A70 L121I38-A41 HydrophobicContact CB-CB 4.25Å; I38-A41 HydrophobicContact CG2-CB 3.97Å; I38-A41 WeakPolarHBondContact O-CB 3.25Å; I38-V49 HydrophobicContact CD1-CG1 4.28Å; I38-V49 HydrophobicContact CG1-CG1 4.36Å; I38-V49 HydrophobicContact CG2-CB 4.29Å; I38-V49 HydrophobicContact CG2-CG1 3.93Å; I38-V50 HydrophobicContact CD1-CB 4.34Å; I38-V50 HydrophobicContact CD1-CG2 3.84Å; I38-V50 HydrophobicContact CG2-CG2 4.37Å; I38-V53 HydrophobicContact CD1-CB 3.96Å; I38-V53 HydrophobicContact CD1-CG1 4.37Å; I38-V53 HydrophobicContact CD1-CG2 3.73Å; I38-V53 HydrophobicContact CG1-CG2 4.29Å; I38-W67 HydrophobicContact CD1-CE3 3.74Å; I38-W67 HydrophobicContact CD1-CZ3 3.68Å; I38-W67 HydrophobicContact CG1-CE3 4.47Å; I38-A68 PolarHBondContact N-O 2.96Å; I38-A70 PolarHBondContact O-N 3.39Å; I38-L121 HydrophobicContact CG1-CD1 4.34Å
39F98.9Very high96.3Very high4 Ų431.8 Ų31.82%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-91.3128.7179.8-175-127.3000111.5V37 A70 A102 V104 L110 M113 V120 L121 C123 V124 V134V37-F39 PolarHBondContact O-N 2.99Å; F39-A70 HydrophobicContact CB-CB 4.48Å; F39-A70 HydrophobicContact CD2-CB 3.88Å; F39-A102 HydrophobicContact CD2-CB 4.26Å; F39-A102 HydrophobicContact CE2-CB 3.71Å; F39-A102 WeakPolarHBondContact CE2-O 3.32Å; F39-A102 HydrophobicContact CZ-CB 4.46Å; F39-V104 HydrophobicContact CE1-CG1 3.61Å; F39-V104 HydrophobicContact CZ-CG1 3.81Å; F39-L110 HydrophobicContact CE1-CD2 3.87Å; F39-L110 HydrophobicContact CE2-CD2 4.42Å; F39-L110 HydrophobicContact CZ-CD2 3.7Å; F39-M113 HydrophobicContact CB-CE 4Å; F39-M113 HydrophobicContact CB-SD 3.87Å; F39-M113 HydrophobicContact CD1-CE 4.17Å; F39-M113 HydrophobicContact CD2-CE 4.06Å; F39-M113 HydrophobicContact CD2-SD 3.57Å; F39-M113 VanDerWaalsContact CD2-SD 3.57Å; F39-M113 HydrophobicContact CE2-SD 4.31Å; F39-M113 HydrophobicContact CG-CE 3.81Å; F39-M113 HydrophobicContact CG-SD 3.81Å; F39-V120 HydrophobicContact CB-CG1 3.97Å; F39-L121 PolarHBondContact N-O 3.16Å; F39-C123 WeakPolarHBondContact O-CB 3.28Å; F39-C123 PolarHBondContact O-N 2.86Å; F39-V124 HydrophobicContact CD1-CB 4.4Å; F39-V124 HydrophobicContact CD1-CG2 3.47Å; F39-V124 VanDerWaalsContact CD1-CG2 3.47Å; F39-V124 HydrophobicContact CE1-CB 4.28Å; F39-V124 HydrophobicContact CE1-CG2 3.49Å; F39-V124 VanDerWaalsContact CE1-CG2 3.49Å; F39-V124 HydrophobicContact CG-CG2 4.07Å; F39-V124 HydrophobicContact CZ-CG2 4.09Å; F39-V134 HydrophobicContact CD1-CG1 4.14Å; F39-V134 HydrophobicContact CD1-CG2 3.83Å; F39-V134 HydrophobicContact CE1-CG2 3.55Å
40G98.4Very high96.7Very high11 Ų1128.1 Ų28.111%0.11317%0.166CC..THydrogen-bonded Turntrans84.422.7-167.500000112.7S42 G43 A70G40-S42 PolarHBondContact O-N 3.46Å; G40-S42 VanDerWaalsContact O-N 3.15Å; G40-G43 PolarHBondContact O-N 3.08Å; G40-A70 PolarHBondContact N-O 2.97Å
41A98.4Very high97.5Very high0 Ų023.3 Ų23.30%013%0.131CC..THydrogen-bonded Turntrans-57.8-27.2-177.800000114.1I38 G43 G46 Q47 V50 V69 A70 L77I38-A41 HydrophobicContact CB-CB 4.25Å; I38-A41 HydrophobicContact CG2-CB 3.97Å; I38-A41 WeakPolarHBondContact O-CB 3.25Å; A41-G43 VanDerWaalsContact C-N 3.33Å; A41-G46 CarbonylContact O-C 3.51Å; A41-Q47 WeakPolarHBondContact O-CA 3.18Å; A41-Q47 PolarHBondContact O-N 2.91Å; A41-V50 HydrophobicContact CB-CG2 3.72Å; A41-V69 HydrophobicContact CB-CB 3.77Å; A41-V69 HydrophobicContact CB-CG1 3.99Å; A41-A70 PolarHBondContact N-O 3.43Å; A41-L77 HydrophobicContact CB-CD2 3.69Å
42S97.7Very high98Very high44 Ų4418 Ų1831%0.30810%0.102SC..THydrogen-bonded Turntrans-88.15.7174.475.50000114.9G40G40-S42 PolarHBondContact O-N 3.46Å; G40-S42 VanDerWaalsContact O-N 3.15Å
43G96.4Very high98.1Very high30 Ų3015.3 Ų15.331%0.3099%0.091SC..SBendtrans-79.9165.2170.500000111.3G40 A41 T45 G46 Q47G40-G43 PolarHBondContact O-N 3.08Å; A41-G43 VanDerWaalsContact C-N 3.33Å; G43-T45 PolarHBondContact O-N 3.22Å; G43-G46 PolarHBondContact O-N 3.21Å; G43-G46 VanDerWaalsContact O-N 3.1Å; G43-Q47 PolarHBondContact O-N 3.08Å; G43-Q47 VanDerWaalsContact O-N 3.08Å
44F96Very high98.2Very high38 Ų3813.3 Ų13.317%0.1678%0.079CC..Hα-helixtrans-60.2-43.7-174.2-170-91.2000113.4Q47 F48 H218 A349 P351 Y396F44-Q47 WeakPolarHBondContact O-CG 3.35Å; F44-F48 HydrophobicContact CD1-CE2 4.09Å; F44-F48 AromaticContact CE1-CE2 3.71Å; F44-F48 HydrophobicContact CE1-CE2 3.71Å; F44-F48 HydrophobicContact CE1-CZ 4.39Å; F44-F48 AromaticContact CZ-CE2 3.95Å; F44-F48 HydrophobicContact CZ-CE2 3.95Å; F44-F48 HydrophobicContact CZ-CZ 4.26Å; F44-F48 WeakPolarHBondContact O-CD2 3.39Å; F44-F48 WeakPolarHBondContact O-CE2 3.2Å; F44-H218 HydrophobicContact CB-CB 4.44Å; F44-H218 HydrophobicContact CD1-CB 3.49Å; F44-H218 VanDerWaalsContact CD1-CB 3.49Å; F44-H218 AromaticContact CD1-CD2 3.75Å; F44-H218 AromaticContact CD1-CG 3.63Å; F44-H218 AromaticContact CD2-CD2 3.42Å; F44-H218 VanDerWaalsContact CD2-CD2 3.42Å; F44-H218 WeakPolarHBondContact CD2-CD2 3.49Å; F44-H218 AromaticContact CD2-NE2 3.94Å; F44-H218 HydrophobicContact CE1-CB 3.88Å; F44-H218 HydrophobicContact CG-CB 3.94Å; F44-H218 AromaticContact CG-CD2 3.23Å; F44-H218 WeakPolarHBondContact CG-CD2 3.35Å; F44-H218 AromaticContact CG-CG 3.52Å; F44-H218 AromaticContact CG-NE2 3.78Å; F44-A349 WeakPolarHBondContact CE2-O 3.45Å; F44-P351 HydrophobicContact CE1-CG 4.44Å; F44-P351 HydrophobicContact CZ-CG 4.45Å; F44-Y396 AromaticContact CD1-CD1 3.7Å; F44-Y396 HydrophobicContact CD1-CD1 3.7Å; F44-Y396 AromaticContact CD1-CE1 3.32Å; F44-Y396 HydrophobicContact CD1-CE1 3.32Å; F44-Y396 AromaticContact CD1-CZ 3.84Å; F44-Y396 AromaticContact CE1-CD1 3.53Å; F44-Y396 HydrophobicContact CE1-CD1 3.53Å; F44-Y396 HydrophobicContact CE1-CD2 4.1Å; F44-Y396 AromaticContact CE1-CE1 3.38Å; F44-Y396 HydrophobicContact CE1-CE1 3.38Å; F44-Y396 AromaticContact CE1-CE2 3.94Å; F44-Y396 HydrophobicContact CE1-CE2 3.94Å; F44-Y396 AromaticContact CE1-CG 3.91Å; F44-Y396 HydrophobicContact CE1-CG 3.91Å; F44-Y396 AromaticContact CE1-CZ 3.6Å
45T96.6Very high98.2Very high31 Ų3118 Ų1819%0.1910%0.097CC..Hα-helixtrans-76.4-34.6173-49.30000111.9G43 Q47 F48 V49 I148 T399G43-T45 PolarHBondContact O-N 3.22Å; T45-Q47 VanDerWaalsContact C-N 3.32Å; T45-Q47 PolarHBondContact O-N 2.87Å; T45-F48 PolarHBondContact O-N 3.21Å; T45-F48 VanDerWaalsContact O-N 3.08Å; T45-V49 PolarHBondContact O-N 3.15Å; T45-I148 HydrophobicContact CG2-CD1 3.4Å; T45-I148 VanDerWaalsContact CG2-CD1 3.4Å; T45-T399 HydrophobicContact CG2-CG2 4.14Å
46G98.3Very high98.1Very high0 Ų017.5 Ų17.50%09%0.094CC..Hα-helixtrans-58.1-39-176.800000113.7A41 G43 F48 V49 V50A41-G46 CarbonylContact O-C 3.51Å; G43-G46 PolarHBondContact O-N 3.21Å; G43-G46 VanDerWaalsContact O-N 3.1Å; G46-F48 VanDerWaalsContact C-N 3.28Å; G46-F48 PolarHBondContact O-N 3.19Å; G46-V49 WeakPolarHBondContact O-CB 3.35Å; G46-V49 PolarHBondContact O-N 3Å; G46-V49 VanDerWaalsContact O-N 3.13Å; G46-V50 WeakPolarHBondContact O-CG2 3.48Å; G46-V50 PolarHBondContact O-N 3.11Å
47Q98.1Very high98Very high46 Ų4618.5 Ų18.522%0.21510%0.103CC..Hα-helixtrans-61.6-34.517760.1179.525.800112.6A41 G43 F44 T45 V50 E51 V80A41-Q47 WeakPolarHBondContact O-CA 3.18Å; A41-Q47 PolarHBondContact O-N 2.91Å; G43-Q47 PolarHBondContact O-N 3.08Å; G43-Q47 VanDerWaalsContact O-N 3.08Å; F44-Q47 WeakPolarHBondContact O-CG 3.35Å; T45-Q47 VanDerWaalsContact C-N 3.32Å; T45-Q47 PolarHBondContact O-N 2.87Å; Q47-V50 WeakPolarHBondContact O-CB 3.1Å; Q47-V50 PolarHBondContact O-N 3.29Å; Q47-E51 PolarHBondContact O-N 3.47Å; Q47-E51 VanDerWaalsContact O-N 3.12Å; Q47-V80 HydrophobicContact CB-CG1 4.02Å; Q47-V80 HydrophobicContact CB-CG2 4.48Å
48F98.6Very high97.8Very high10 Ų1022.5 Ų22.54%0.04413%0.131CC..Hα-helixtrans-77.1-29.5176.8-58-77.3000111.8F44 T45 G46 V50 E51 E52 M356 Y396 P400F44-F48 HydrophobicContact CD1-CE2 4.09Å; F44-F48 AromaticContact CE1-CE2 3.71Å; F44-F48 HydrophobicContact CE1-CE2 3.71Å; F44-F48 HydrophobicContact CE1-CZ 4.39Å; F44-F48 AromaticContact CZ-CE2 3.95Å; F44-F48 HydrophobicContact CZ-CE2 3.95Å; F44-F48 HydrophobicContact CZ-CZ 4.26Å; F44-F48 WeakPolarHBondContact O-CD2 3.39Å; F44-F48 WeakPolarHBondContact O-CE2 3.2Å; T45-F48 PolarHBondContact O-N 3.21Å; T45-F48 VanDerWaalsContact O-N 3.08Å; G46-F48 VanDerWaalsContact C-N 3.28Å; G46-F48 PolarHBondContact O-N 3.19Å; F48-V50 VanDerWaalsContact C-N 3.34Å; F48-E51 PolarHBondContact O-N 3.47Å; F48-E52 WeakPolarHBondContact O-CB 3.15Å; F48-E52 PolarHBondContact O-N 2.76Å; F48-M356 HydrophobicContact CE1-CE 3.71Å; F48-M356 HydrophobicContact CE1-SD 4.14Å; F48-M356 HydrophobicContact CZ-CE 3.72Å; F48-M356 HydrophobicContact CZ-SD 4Å; F48-Y396 WeakPolarHBondContact CB-O 3.44Å; F48-Y396 AromaticContact CD2-CD1 3.96Å; F48-Y396 HydrophobicContact CD2-CD1 3.96Å; F48-Y396 HydrophobicContact CD2-CG 4.24Å; F48-Y396 AromaticContact CE2-CD1 3.95Å; F48-Y396 HydrophobicContact CE2-CD1 3.95Å; F48-Y396 HydrophobicContact CE2-CG 4.06Å; F48-P400 HydrophobicContact CB-CB 4.42Å; F48-P400 HydrophobicContact CB-CG 3.55Å
49V98.8Very high97.7Very high0 Ų025.4 Ų25.40%014%0.144CC..Hα-helixtrans-65.4-39.5169.6179.80000110.6I38 T45 G46 E52 V53 L121 P400 M403 V404I38-V49 HydrophobicContact CD1-CG1 4.28Å; I38-V49 HydrophobicContact CG1-CG1 4.36Å; I38-V49 HydrophobicContact CG2-CB 4.29Å; I38-V49 HydrophobicContact CG2-CG1 3.93Å; T45-V49 PolarHBondContact O-N 3.15Å; G46-V49 WeakPolarHBondContact O-CB 3.35Å; G46-V49 PolarHBondContact O-N 3Å; G46-V49 VanDerWaalsContact O-N 3.13Å; V49-E52 PolarHBondContact O-N 3.38Å; V49-V53 HydrophobicContact CG1-CG2 4.34Å; V49-V53 WeakPolarHBondContact O-CG2 3.45Å; V49-V53 PolarHBondContact O-N 3.39Å; V49-L121 HydrophobicContact CG1-CD1 4.06Å; V49-P400 HydrophobicContact CG2-CB 4.21Å; V49-P400 HydrophobicContact CG2-CG 4.26Å; V49-M403 HydrophobicContact CG1-SD 4.08Å; V49-M403 HydrophobicContact CG2-SD 4.04Å; V49-V404 HydrophobicContact CG1-CG2 4.08Å
50V98.9Very high97.4Very high0 Ų025.4 Ų25.40%015%0.145CC..Hα-helixtrans-58.5-47.7172.5173.90000110.9I38 A41 G46 Q47 F48 E52 A54 W67 V69 V80 L81 A84I38-V50 HydrophobicContact CD1-CB 4.34Å; I38-V50 HydrophobicContact CD1-CG2 3.84Å; I38-V50 HydrophobicContact CG2-CG2 4.37Å; A41-V50 HydrophobicContact CB-CG2 3.72Å; G46-V50 WeakPolarHBondContact O-CG2 3.48Å; G46-V50 PolarHBondContact O-N 3.11Å; Q47-V50 WeakPolarHBondContact O-CB 3.1Å; Q47-V50 PolarHBondContact O-N 3.29Å; F48-V50 VanDerWaalsContact C-N 3.34Å; V50-E52 VanDerWaalsContact C-N 3.35Å; V50-E52 PolarHBondContact O-N 2.62Å; V50-A54 WeakPolarHBondContact O-CB 3.28Å; V50-A54 PolarHBondContact O-N 3.09Å; V50-W67 HydrophobicContact CG1-CH2 3.86Å; V50-W67 HydrophobicContact CG1-CZ3 4.04Å; V50-V69 HydrophobicContact CG1-CG1 4.36Å; V50-V69 HydrophobicContact CG2-CG1 3.77Å; V50-V80 HydrophobicContact CB-CG1 4.1Å; V50-V80 HydrophobicContact CG1-CG1 4.09Å; V50-V80 HydrophobicContact CG2-CG1 3.96Å; V50-L81 HydrophobicContact CG1-CD2 4.14Å; V50-A84 HydrophobicContact CG1-CB 4.11Å
51E98.6Very high96.8Very high12 Ų1226.2 Ų26.26%0.05615%0.148CC..Hα-helixtrans-59.3-44.3176.4-74.2172-149.100112.3Q47 F48 A54 R55 A84 L88 R353Q47-E51 PolarHBondContact O-N 3.47Å; Q47-E51 VanDerWaalsContact O-N 3.12Å; F48-E51 PolarHBondContact O-N 3.47Å; E51-A54 PolarHBondContact O-N 3.43Å; E51-R55 WeakPolarHBondContact O-CG 3.44Å; E51-R55 PolarHBondContact O-N 2.83Å; E51-R55 IonicContact OE2-NH2 3.09Å; E51-A84 HydrophobicContact CG-CB 4.09Å; E51-L88 HydrophobicContact CB-CD1 4.49Å; E51-R353 VanDerWaalsContact CD-NH2 3.26Å; E51-R353 IonicContact OE1-CZ 3.07Å; E51-R353 IonicContact OE1-NH1 2.73Å; E51-R353 IonicContact OE1-NH2 3.81Å; E51-R353 PolarHBondContact OE1-NH2 2.82Å; E51-R353 IonicContact OE2-CZ 2.99Å; E51-R353 IonicContact OE2-NH1 3.96Å; E51-R353 PolarHBondContact OE2-NH1 3.02Å; E51-R353 IonicContact OE2-NH2 3Å; E51-R353 PolarHBondContact OE2-NH2 3.36Å; E51-R353 VanDerWaalsContact OE2-NH2 3.1Å
52E98.8Very high96.3Very high15 Ų1536.5 Ų36.57%0.0719%0.193CC..Hα-helixtrans-69.3-40.9-178.1-178.562.1-171.300112.8F48 V49 V50 A54 R55 T56 P400 I401 V404F48-E52 WeakPolarHBondContact O-CB 3.15Å; F48-E52 PolarHBondContact O-N 2.76Å; V49-E52 PolarHBondContact O-N 3.38Å; V50-E52 VanDerWaalsContact C-N 3.35Å; V50-E52 PolarHBondContact O-N 2.62Å; E52-A54 VanDerWaalsContact C-N 3.28Å; E52-A54 PolarHBondContact O-N 3.42Å; E52-R55 PolarHBondContact O-N 3.34Å; E52-T56 WeakPolarHBondContact O-CG2 3.44Å; E52-T56 PolarHBondContact O-N 2.91Å; E52-T56 VanDerWaalsContact O-N 3.08Å; E52-T56 PolarHBondContact O-OG1 2.86Å; E52-P400 HydrophobicContact CB-CB 3.8Å; E52-P400 HydrophobicContact CG-CB 4.24Å; E52-I401 HydrophobicContact CG-CG1 4.47Å; E52-V404 HydrophobicContact CB-CG2 3.99Å; E52-V404 HydrophobicContact CG-CB 3.72Å; E52-V404 HydrophobicContact CG-CG1 4.14Å; E52-V404 HydrophobicContact CG-CG2 3.68Å
53V98.7Very high96Very high0 Ų036.6 Ų36.60%020%0.201CC..Hα-helixtrans-60.7-41.9172.2172.60000110.2L36 I38 V49 T56 A57 L65 W67 L121 V404L36-V53 HydrophobicContact CD1-CG1 4.41Å; L36-V53 HydrophobicContact CD1-CG2 4.19Å; I38-V53 HydrophobicContact CD1-CB 3.96Å; I38-V53 HydrophobicContact CD1-CG1 4.37Å; I38-V53 HydrophobicContact CD1-CG2 3.73Å; I38-V53 HydrophobicContact CG1-CG2 4.29Å; V49-V53 HydrophobicContact CG1-CG2 4.34Å; V49-V53 WeakPolarHBondContact O-CG2 3.45Å; V49-V53 PolarHBondContact O-N 3.39Å; V53-T56 CarbonylContact O-C 3.51Å; V53-T56 PolarHBondContact O-N 2.98Å; V53-A57 WeakPolarHBondContact O-CA 3.36Å; V53-A57 PolarHBondContact O-N 3.46Å; V53-L65 HydrophobicContact CG1-CD2 3.64Å; V53-W67 HydrophobicContact CG1-CB 4.26Å; V53-W67 HydrophobicContact CG1-CD2 3.46Å; V53-W67 VanDerWaalsContact CG1-CD2 3.46Å; V53-W67 HydrophobicContact CG1-CE3 3.8Å; V53-W67 HydrophobicContact CG1-CG 3.67Å; V53-W67 HydrophobicContact CG1-CZ2 4.27Å; V53-W67 HydrophobicContact CG1-CZ3 4.33Å; V53-L121 HydrophobicContact CG2-CD1 4.17Å; V53-V404 HydrophobicContact CG2-CB 4.44Å; V53-V404 HydrophobicContact CG2-CG1 4.05Å; V53-V404 HydrophobicContact CG2-CG2 3.5Å; V53-V404 VanDerWaalsContact CG2-CG2 3.5Å
54A98.3Very high95.8Very high1 Ų138.7 Ų38.71%0.00821%0.211CC..Hα-helixtrans-66.4-35.6177.100000113.2V50 E51 E52 T56 W67 L88 K90 L93V50-A54 WeakPolarHBondContact O-CB 3.28Å; V50-A54 PolarHBondContact O-N 3.09Å; E51-A54 PolarHBondContact O-N 3.43Å; E52-A54 VanDerWaalsContact C-N 3.28Å; E52-A54 PolarHBondContact O-N 3.42Å; A54-T56 VanDerWaalsContact C-N 3.31Å; A54-W67 HydrophobicContact CB-CH2 4.36Å; A54-W67 HydrophobicContact CB-CZ2 4.01Å; A54-L88 HydrophobicContact CB-CD1 3.49Å; A54-L88 VanDerWaalsContact CB-CD1 3.49Å; A54-K90 PolarHBondContact O-NZ 3.01Å; A54-L93 HydrophobicContact CB-CD1 3.74Å; A54-L93 HydrophobicContact CB-CD2 3.98Å
55R97.6Very high95.8Very high123 Ų12337.4 Ų37.446%0.46421%0.206SC..Hα-helixtrans-63.1-39.3173.6-75.2179.2-153.4-79.6-3.2111.7E51 E52 L88E51-R55 WeakPolarHBondContact O-CG 3.44Å; E51-R55 PolarHBondContact O-N 2.83Å; E51-R55 IonicContact OE2-NH2 3.09Å; E52-R55 PolarHBondContact O-N 3.34Å; R55-L88 HydrophobicContact CG-CD1 4.41Å; R55-L88 HydrophobicContact CG-CD2 3.81Å; R55-L88 VanDerWaalsContact NH2-CD2 3.29Å
56T97.1Very high95.8Very high2 Ų241.9 Ų41.91%0.01222%0.223CC..Hα-helixtrans-105.710-168.560.50000113.8E52 V53 A54 S58 E59 V404E52-T56 WeakPolarHBondContact O-CG2 3.44Å; E52-T56 PolarHBondContact O-N 2.91Å; E52-T56 VanDerWaalsContact O-N 3.08Å; E52-T56 PolarHBondContact O-OG1 2.86Å; V53-T56 CarbonylContact O-C 3.51Å; V53-T56 PolarHBondContact O-N 2.98Å; A54-T56 VanDerWaalsContact C-N 3.31Å; T56-S58 PolarHBondContact O-N 3.39Å; T56-S58 VanDerWaalsContact O-N 3.08Å; T56-E59 VanDerWaalsContact O-CB 3.31Å; T56-E59 WeakPolarHBondContact O-CB 3.39Å; T56-E59 PolarHBondContact O-N 3.32Å; T56-V404 VanDerWaalsContact OG1-CG1 3.28Å; T56-V404 WeakPolarHBondContact OG1-CG1 3.4Å
57A95.5Very high95.8Very high22 Ų2242.7 Ų42.718%0.18223%0.226CC..G310 helixtrans-57.5-27.7-176.900000113.9V53 E59 S64 L65V53-A57 WeakPolarHBondContact O-CA 3.36Å; V53-A57 PolarHBondContact O-N 3.46Å; A57-E59 PolarHBondContact O-N 3.07Å; A57-S64 CarbonylContact O-C 3.51Å; A57-S64 WeakPolarHBondContact O-CA 3.29Å; A57-L65 HydrophobicContact CB-CB 4.24Å; A57-L65 WeakPolarHBondContact O-CB 3.37Å; A57-L65 PolarHBondContact O-N 2.51Å
58S95.6Very high95.8Very high84 Ų8440.5 Ų40.559%0.58722%0.215SC*.G310 helixtrans-74.9-10.617553.50000114T56 G60 G63T56-S58 PolarHBondContact O-N 3.39Å; T56-S58 VanDerWaalsContact O-N 3.08Å; S58-G60 VanDerWaalsContact C-N 3.33Å; S58-G63 WeakPolarHBondContact CA-O 3.48Å; S58-G63 CarbonylContact O-C 3.21Å; S58-G63 VanDerWaalsContact O-C 3.23Å; S58-G63 VanDerWaalsContact O-CA 3.26Å; S58-G63 WeakPolarHBondContact O-CA 3.41Å
59E95.9Very high95.8Very high61 Ų6140.1 Ų40.129%0.28521%0.214SC..G310 helixtrans-91.62.5178.1-58.2-179.2-149.900112.9T56 A57 L408 N412 R438 H442T56-E59 VanDerWaalsContact O-CB 3.31Å; T56-E59 WeakPolarHBondContact O-CB 3.39Å; T56-E59 PolarHBondContact O-N 3.32Å; A57-E59 PolarHBondContact O-N 3.07Å; E59-L408 HydrophobicContact CB-CD1 4.11Å; E59-N412 PolarHBondContact O-ND2 2.63Å; E59-R438 IonicContact OE2-CZ 3.6Å; E59-R438 IonicContact OE2-NH1 3.9Å; E59-R438 IonicContact OE2-NH2 2.69Å; E59-R438 PolarHBondContact OE2-NH2 3.46Å; E59-H442 IonicContact OE1-CE1 2.97Å; E59-H442 PolarHBondContact OE1-CE1 3.31Å; E59-H442 IonicContact OE1-NE2 2.66Å; E59-H442 PolarHBondContact OE1-NE2 2.99Å; E59-H442 IonicContact OE2-CE1 3.78Å; E59-H442 IonicContact OE2-NE2 2.79Å; E59-H442 PolarHBondContact OE2-NE2 3.01Å; E59-H442 VanDerWaalsContact OE2-NE2 3.09Å
60G92.3Very high95.8Very high3 Ų340.1 Ų40.13%0.03121%0.214CC..SBendtrans-64.5170.7173.700000113S58 K62 G63S58-G60 VanDerWaalsContact C-N 3.33Å; G60-K62 PolarHBondContact O-N 3.36Å; G60-G63 PolarHBondContact O-N 3.39Å
61P87.4Confident95.8Very high28 Ų2840.2 Ų40.218%0.18222%0.215CC..G310 helixtrans-51.3131.5176.3-2836.6000111.5G63 L411P61-G63 PolarHBondContact O-N 2.89Å; P61-L411 HydrophobicContact CG-CB 3.76Å; P61-L411 HydrophobicContact CG-CD1 4.48Å
62K87.3Confident95.8Very high216 Ų21648.3 Ų48.394%0.93925%0.245SC*.G310 helixtrans60.622.5-178.1-50.4175.1-178.1173.50114.2G60G60-K62 PolarHBondContact O-N 3.36Å
63G91.4Very high95.7Very high46 Ų4649.5 Ų49.547%0.47426%0.255SS..G310 helixtrans86.411.1173.400000115.2S58 G60 P61S58-G63 WeakPolarHBondContact CA-O 3.48Å; S58-G63 CarbonylContact O-C 3.21Å; S58-G63 VanDerWaalsContact O-C 3.23Å; S58-G63 VanDerWaalsContact O-CA 3.26Å; S58-G63 WeakPolarHBondContact O-CA 3.41Å; G60-G63 PolarHBondContact O-N 3.39Å; P61-G63 PolarHBondContact O-N 2.89Å
64S92.6Very high95.7Very high75 Ų7555 Ų5552%0.52428%0.279SS..  trans-151.8138.7178.4-179.90000111.8A57A57-S64 CarbonylContact O-C 3.51Å; A57-S64 WeakPolarHBondContact O-CA 3.29Å
65L95.3Very high95.7Very high11 Ų1162.3 Ų62.36%0.05831%0.313CS..  trans-110.4117.5178.2-166.376.9000110.2H35 L36 V53 A57 W67 L408 L411H35-L65 HydrophobicContact CB-CD1 3.69Å; H35-L65 HydrophobicContact CB-CG 4.47Å; L36-L65 HydrophobicContact CD1-CD1 4.33Å; L36-L65 HydrophobicContact CD1-CD2 3.65Å; L36-L65 HydrophobicContact CD1-CG 4.49Å; L36-L65 HydrophobicContact CG-CD1 4.18Å; L36-L65 HydrophobicContact CG-CD2 4.12Å; L36-L65 HydrophobicContact CG-CG 4.5Å; V53-L65 HydrophobicContact CG1-CD2 3.64Å; A57-L65 HydrophobicContact CB-CB 4.24Å; A57-L65 WeakPolarHBondContact O-CB 3.37Å; A57-L65 PolarHBondContact O-N 2.51Å; L65-W67 HydrophobicContact CD2-CB 4.33Å; L65-W67 HydrophobicContact CD2-CG 4.34Å; L65-W67 HydrophobicContact CG-CB 4.49Å; L65-L408 HydrophobicContact CD1-CD2 4.08Å; L65-L411 HydrophobicContact CD1-CD1 3.73Å
66K96.4Very high95.8Very high125 Ų12562.7 Ų62.754%0.54332%0.318SS..  trans-82.3123.2161.8-59.4-175.3178.8-1750110.3P33 H35 L36P33-K66 WeakPolarHBondContact O-CB 3.27Å; P33-K66 WeakPolarHBondContact O-CD 3.48Å; H35-K66 WeakPolarHBondContact CB-O 3.44Å; H35-K66 PolarHBondContact N-O 3.42Å; H35-K66 PolarHBondContact ND1-N 2.84Å; H35-K66 PolarHBondContact ND1-O 2.85Å; L36-K66 PolarHBondContact N-O 3.08Å
67W98.3Very high95.8Very high17 Ų1762.6 Ų62.66%0.06432%0.317CS..EExtended strand (participates in β ladder)trans-149.1163.5-178.163.5-76.1000112L36 I38 V50 V53 A54 L65 V69 L81 L93 V97L36-W67 HydrophobicContact CB-CB 4.07Å; L36-W67 CarbonylContact O-C 3.59Å; L36-W67 WeakPolarHBondContact O-CA 3.44Å; L36-W67 VanDerWaalsContact O-CB 3.31Å; L36-W67 WeakPolarHBondContact O-CB 3.36Å; I38-W67 HydrophobicContact CD1-CE3 3.74Å; I38-W67 HydrophobicContact CD1-CZ3 3.68Å; I38-W67 HydrophobicContact CG1-CE3 4.47Å; V50-W67 HydrophobicContact CG1-CH2 3.86Å; V50-W67 HydrophobicContact CG1-CZ3 4.04Å; V53-W67 HydrophobicContact CG1-CB 4.26Å; V53-W67 HydrophobicContact CG1-CD2 3.46Å; V53-W67 VanDerWaalsContact CG1-CD2 3.46Å; V53-W67 HydrophobicContact CG1-CE3 3.8Å; V53-W67 HydrophobicContact CG1-CG 3.67Å; V53-W67 HydrophobicContact CG1-CZ2 4.27Å; V53-W67 HydrophobicContact CG1-CZ3 4.33Å; A54-W67 HydrophobicContact CB-CH2 4.36Å; A54-W67 HydrophobicContact CB-CZ2 4.01Å; L65-W67 HydrophobicContact CD2-CB 4.33Å; L65-W67 HydrophobicContact CD2-CG 4.34Å; L65-W67 HydrophobicContact CG-CB 4.49Å; W67-V69 HydrophobicContact CE3-CG1 4.29Å; W67-V69 HydrophobicContact CZ3-CG1 3.64Å; W67-L81 HydrophobicContact CH2-CD2 4.25Å; W67-L93 HydrophobicContact CZ2-CD2 3.9Å; W67-V97 HydrophobicContact CD2-CG1 4.15Å; W67-V97 HydrophobicContact CD2-CG2 4.41Å; W67-V97 HydrophobicContact CE3-CG1 3.81Å; W67-V97 HydrophobicContact CH2-CB 4.46Å; W67-V97 HydrophobicContact CH2-CG1 3.88Å; W67-V97 HydrophobicContact CH2-CG2 3.78Å; W67-V97 HydrophobicContact CZ2-CB 4.48Å; W67-V97 HydrophobicContact CZ2-CG1 4.2Å; W67-V97 HydrophobicContact CZ2-CG2 3.43Å; W67-V97 VanDerWaalsContact CZ2-CG2 3.43Å; W67-V97 HydrophobicContact CZ3-CG1 3.67Å; W67-V97 HydrophobicContact CZ3-CG2 4.4Å
68A98.8Very high96Very high0 Ų065.1 Ų65.10%033%0.325CS..EExtended strand (participates in β ladder)trans-138.7160.9177.600000111.1Y34 L36 V37 I38 D98 I100Y34-A68 HydrophobicContact CD1-CB 3.85Å; Y34-A68 HydrophobicContact CD2-CB 4.12Å; Y34-A68 HydrophobicContact CE1-CB 3.85Å; Y34-A68 HydrophobicContact CE2-CB 4.12Å; Y34-A68 HydrophobicContact CG-CB 3.99Å; L36-A68 PolarHBondContact O-N 3.35Å; V37-A68 WeakPolarHBondContact CA-O 3.48Å; V37-A68 HydrophobicContact CG2-CB 4.31Å; I38-A68 PolarHBondContact N-O 2.96Å; A68-D98 WeakPolarHBondContact CA-O 3.34Å; A68-D98 HydrophobicContact CB-CB 4.11Å; A68-D98 VanDerWaalsContact CB-O 3.31Å; A68-D98 WeakPolarHBondContact CB-O 3.35Å; A68-I100 HydrophobicContact CB-CD1 3.91Å; A68-I100 HydrophobicContact CB-CG1 4.28Å
69V98.9Very high96.1Very high1 Ų166.9 Ų66.91%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-103.9142.7170.9-64.20000110.4A41 V50 W67 L77 L81 V97 D98 V99 I100A41-V69 HydrophobicContact CB-CB 3.77Å; A41-V69 HydrophobicContact CB-CG1 3.99Å; V50-V69 HydrophobicContact CG1-CG1 4.36Å; V50-V69 HydrophobicContact CG2-CG1 3.77Å; W67-V69 HydrophobicContact CE3-CG1 4.29Å; W67-V69 HydrophobicContact CZ3-CG1 3.64Å; V69-L77 HydrophobicContact CB-CD2 4.23Å; V69-L77 HydrophobicContact CG2-CB 4Å; V69-L77 HydrophobicContact CG2-CD2 4.27Å; V69-L81 HydrophobicContact CG1-CD2 3.9Å; V69-L81 HydrophobicContact CG2-CD1 3.91Å; V69-L81 HydrophobicContact CG2-CD2 4.28Å; V69-L81 HydrophobicContact CG2-CG 4.15Å; V69-V97 HydrophobicContact CG1-CG1 4.2Å; V69-D98 PolarHBondContact N-O 3.37Å; V69-V99 HydrophobicContact CG2-CB 4.43Å; V69-V99 HydrophobicContact CG2-CG1 4.49Å; V69-V99 HydrophobicContact CG2-CG2 3.9Å; V69-I100 PolarHBondContact O-N 2.94Å
70A98.9Very high96.3Very high0 Ų064.5 Ų64.50%031%0.312CS..EExtended strand (participates in β ladder)trans-136.3146.2-17900000113.7V37 I38 F39 G40 A41 I100 M113V37-A70 HydrophobicContact CG1-CB 3.58Å; I38-A70 PolarHBondContact O-N 3.39Å; F39-A70 HydrophobicContact CB-CB 4.48Å; F39-A70 HydrophobicContact CD2-CB 3.88Å; G40-A70 PolarHBondContact N-O 2.97Å; A41-A70 PolarHBondContact N-O 3.43Å; A70-I100 WeakPolarHBondContact CA-O 3.37Å; A70-I100 HydrophobicContact CB-CB 4.03Å; A70-M113 HydrophobicContact CB-CG 4.21Å; A70-M113 HydrophobicContact CB-SD 3.45Å; A70-M113 WeakPolarHBondContact CB-SD 3.46Å
71G98.6Very high96.6Very high3 Ų364.6 Ų64.63%0.03131%0.312CS..EExtended strand (participates in β ladder)trans169-177.7179.400000112.8S73 I100 V101 A102G71-S73 PolarHBondContact O-N 2.88Å; G71-I100 PolarHBondContact N-O 3.17Å; G71-V101 WeakPolarHBondContact O-CA 3.47Å; G71-A102 CarbonylContact C-O 3.44Å; G71-A102 PolarHBondContact O-N 2.84Å
72R97.5Very high97.1Very high182 Ų18268 Ų6869%0.68733%0.325SS*.SBendtrans-74.2-24.8-170.1-61.7-178.8-70.3172.7-2.8114.7A102 D103R72-A102 PolarHBondContact N-O 3.37Å; R72-D103 WeakPolarHBondContact CD-OD1 3.31Å; R72-D103 WeakPolarHBondContact CD-OD2 3.33Å; R72-D103 HydrophobicContact CG-CB 3.92Å; R72-D103 WeakPolarHBondContact CG-OD2 3.29Å
73S98.3Very high97.6Very high39 Ų3961.5 Ų61.527%0.27330%0.298SS..  trans-126.7105.9-171.5175.70000110.2G71 Q75 K76 L77G71-S73 PolarHBondContact O-N 2.88Å; S73-Q75 VanDerWaalsContact C-N 3.28Å; S73-Q75 PolarHBondContact O-N 3.47Å; S73-K76 PolarHBondContact O-N 2.9Å; S73-K76 VanDerWaalsContact O-N 3.1Å; S73-K76 PolarHBondContact OG-N 3Å; S73-L77 WeakPolarHBondContact O-CG 3.31Å; S73-L77 PolarHBondContact O-N 2.98Å; S73-L77 VanDerWaalsContact O-N 3.1Å
74K98.2Very high97.9Very high117 Ų11759.4 Ų59.451%0.50928%0.276SS..Hα-helixtrans-50.2-48.7175.8-175.3175.7176.5179.90111.8K76 L77 E78 V99 V101K74-K76 VanDerWaalsContact C-N 3.32Å; K74-K76 PolarHBondContact O-N 2.97Å; K74-L77 WeakPolarHBondContact O-CB 3.31Å; K74-L77 PolarHBondContact O-N 2.85Å; K74-E78 WeakPolarHBondContact CE-OE1 3.5Å; K74-E78 HydrophobicContact CG-CG 4.46Å; K74-E78 IonicContact NZ-OE1 3.96Å; K74-E78 WeakPolarHBondContact O-CG 3.31Å; K74-E78 PolarHBondContact O-N 3Å; K74-V99 HydrophobicContact CB-CG1 4.48Å; K74-V99 HydrophobicContact CG-CG1 3.91Å; K74-V101 HydrophobicContact CB-CG2 3.99Å
75Q98.4Very high98.2Very high154 Ų15456 Ų5672%0.7225%0.252SS*.Hα-helixtrans-58.5-39.8179.4-170.2-177.22300113.3S73 K79S73-Q75 VanDerWaalsContact C-N 3.28Å; S73-Q75 PolarHBondContact O-N 3.47Å; Q75-K79 PolarHBondContact O-N 2.95Å; Q75-K79 VanDerWaalsContact O-N 3.09Å
76K98.5Very high98.3Very high130 Ų13062.7 Ų62.757%0.56528%0.284SS*.Hα-helixtrans-70.2-34.8176.7-70.3-175.5179.9-176.10112S73 K74 K79 V80S73-K76 PolarHBondContact O-N 2.9Å; S73-K76 VanDerWaalsContact O-N 3.1Å; S73-K76 PolarHBondContact OG-N 3Å; K74-K76 VanDerWaalsContact C-N 3.32Å; K74-K76 PolarHBondContact O-N 2.97Å; K76-K79 PolarHBondContact O-N 2.95Å; K76-V80 VanDerWaalsContact O-CG2 3.26Å; K76-V80 WeakPolarHBondContact O-CG2 3.49Å; K76-V80 PolarHBondContact O-N 3.04Å; K76-V80 VanDerWaalsContact O-N 3.09Å
77L98.8Very high98.3Very high0 Ų060.3 Ų60.30%028%0.279CS..Hα-helixtrans-67.6-44.5176.9-64166.4000110.9A41 V69 S73 K74 K79 V80 L81 V99A41-L77 HydrophobicContact CB-CD2 3.69Å; V69-L77 HydrophobicContact CB-CD2 4.23Å; V69-L77 HydrophobicContact CG2-CB 4Å; V69-L77 HydrophobicContact CG2-CD2 4.27Å; S73-L77 WeakPolarHBondContact O-CG 3.31Å; S73-L77 PolarHBondContact O-N 2.98Å; S73-L77 VanDerWaalsContact O-N 3.1Å; K74-L77 WeakPolarHBondContact O-CB 3.31Å; K74-L77 PolarHBondContact O-N 2.85Å; L77-K79 VanDerWaalsContact C-N 3.32Å; L77-K79 PolarHBondContact O-N 2.69Å; L77-V80 WeakPolarHBondContact O-CB 3.11Å; L77-V80 PolarHBondContact O-N 3.09Å; L77-V80 VanDerWaalsContact O-N 3.13Å; L77-L81 PolarHBondContact O-N 2.99Å; L77-V99 HydrophobicContact CB-CG1 3.71Å; L77-V99 HydrophobicContact CD1-CG1 3.53Å; L77-V99 HydrophobicContact CG-CG1 4.26Å
78E98.5Very high98.2Very high76 Ų7661 Ų6136%0.35528%0.284SS..Hα-helixtrans-58.1-44.8174.2-70.6167.9158.400111K74 V80 L81 E82 V99K74-E78 WeakPolarHBondContact CE-OE1 3.5Å; K74-E78 HydrophobicContact CG-CG 4.46Å; K74-E78 IonicContact NZ-OE1 3.96Å; K74-E78 WeakPolarHBondContact O-CG 3.31Å; K74-E78 PolarHBondContact O-N 3Å; E78-V80 VanDerWaalsContact C-N 3.32Å; E78-V80 PolarHBondContact O-N 3.31Å; E78-L81 WeakPolarHBondContact O-CB 3.4Å; E78-L81 PolarHBondContact O-N 2.77Å; E78-L81 VanDerWaalsContact O-N 3.16Å; E78-E82 WeakPolarHBondContact O-CG 3.37Å; E78-E82 PolarHBondContact O-N 2.88Å; E78-V99 HydrophobicContact CG-CG2 4.28Å
79K98.5Very high98.2Very high121 Ų12164 Ų6453%0.52631%0.314SS..Hα-helixtrans-60.2-38.5175.2-174175.1-178.5177.10113.1Q75 K76 L77 E82 Q83Q75-K79 PolarHBondContact O-N 2.95Å; Q75-K79 VanDerWaalsContact O-N 3.09Å; K76-K79 PolarHBondContact O-N 2.95Å; L77-K79 VanDerWaalsContact C-N 3.32Å; L77-K79 PolarHBondContact O-N 2.69Å; K79-E82 PolarHBondContact O-N 3.46Å; K79-Q83 WeakPolarHBondContact O-CB 3.46Å; K79-Q83 VanDerWaalsContact O-CG 3.25Å; K79-Q83 WeakPolarHBondContact O-CG 3.04Å; K79-Q83 PolarHBondContact O-N 3.43Å
80V98.6Very high98.1Very high10 Ų1066.8 Ų66.86%0.06133%0.327CS..Hα-helixtrans-65.9-41.6176.5170.50000110.7Q47 V50 K76 L77 E78 E82 Q83 A84Q47-V80 HydrophobicContact CB-CG1 4.02Å; Q47-V80 HydrophobicContact CB-CG2 4.48Å; V50-V80 HydrophobicContact CB-CG1 4.1Å; V50-V80 HydrophobicContact CG1-CG1 4.09Å; V50-V80 HydrophobicContact CG2-CG1 3.96Å; K76-V80 VanDerWaalsContact O-CG2 3.26Å; K76-V80 WeakPolarHBondContact O-CG2 3.49Å; K76-V80 PolarHBondContact O-N 3.04Å; K76-V80 VanDerWaalsContact O-N 3.09Å; L77-V80 WeakPolarHBondContact O-CB 3.11Å; L77-V80 PolarHBondContact O-N 3.09Å; L77-V80 VanDerWaalsContact O-N 3.13Å; E78-V80 VanDerWaalsContact C-N 3.32Å; E78-V80 PolarHBondContact O-N 3.31Å; V80-E82 VanDerWaalsContact C-N 3.35Å; V80-Q83 PolarHBondContact O-N 2.99Å; V80-A84 WeakPolarHBondContact O-CB 3.22Å; V80-A84 PolarHBondContact O-N 3.29Å
81L98.7Very high98Very high5 Ų570.5 Ų70.53%0.02635%0.35CS..Hα-helixtrans-63.7-40.7174.8-66.5175.1000111.6V50 W67 V69 L77 E78 A84 A85 V97 V99V50-L81 HydrophobicContact CG1-CD2 4.14Å; W67-L81 HydrophobicContact CH2-CD2 4.25Å; V69-L81 HydrophobicContact CG1-CD2 3.9Å; V69-L81 HydrophobicContact CG2-CD1 3.91Å; V69-L81 HydrophobicContact CG2-CD2 4.28Å; V69-L81 HydrophobicContact CG2-CG 4.15Å; L77-L81 PolarHBondContact O-N 2.99Å; E78-L81 WeakPolarHBondContact O-CB 3.4Å; E78-L81 PolarHBondContact O-N 2.77Å; E78-L81 VanDerWaalsContact O-N 3.16Å; L81-A84 PolarHBondContact O-N 2.89Å; L81-A85 VanDerWaalsContact O-CB 3.22Å; L81-A85 WeakPolarHBondContact O-CB 3.5Å; L81-A85 PolarHBondContact O-N 3.39Å; L81-V97 HydrophobicContact CD1-CB 4.11Å; L81-V97 HydrophobicContact CD1-CG1 4.22Å; L81-V97 HydrophobicContact CD2-CB 3.9Å; L81-V97 HydrophobicContact CD2-CG1 3.75Å; L81-V97 HydrophobicContact CD2-CG2 4.31Å; L81-V99 HydrophobicContact CD1-CG2 3.82Å
82E98.4Very high97.8Very high101 Ų10173.7 Ų73.747%0.47236%0.364SS..Hα-helixtrans-60.7-44.8174.7-73170.8-179.200112.4E78 K79 V80 A85 E86 R94E78-E82 WeakPolarHBondContact O-CG 3.37Å; E78-E82 PolarHBondContact O-N 2.88Å; K79-E82 PolarHBondContact O-N 3.46Å; V80-E82 VanDerWaalsContact C-N 3.35Å; E82-A85 WeakPolarHBondContact O-CB 3.49Å; E82-A85 PolarHBondContact O-N 2.86Å; E82-E86 PolarHBondContact O-N 2.89Å; E82-R94 HydrophobicContact CG-CG 4.39Å
83Q97.7Very high97.8Very high79 Ų7965.5 Ų65.537%0.36933%0.334SS..Hα-helixtrans-65.8-45.7177.8-73.8174.4-28.700111.6K79 V80 A85 E86 V87K79-Q83 WeakPolarHBondContact O-CB 3.46Å; K79-Q83 VanDerWaalsContact O-CG 3.25Å; K79-Q83 WeakPolarHBondContact O-CG 3.04Å; K79-Q83 PolarHBondContact O-N 3.43Å; V80-Q83 PolarHBondContact O-N 2.99Å; Q83-A85 VanDerWaalsContact C-N 3.32Å; Q83-A85 PolarHBondContact O-N 3.49Å; Q83-E86 PolarHBondContact O-N 3.04Å; Q83-V87 WeakPolarHBondContact O-CB 3.41Å; Q83-V87 VanDerWaalsContact O-CG2 3.29Å; Q83-V87 WeakPolarHBondContact O-CG2 3.47Å; Q83-V87 PolarHBondContact O-N 3.07Å
84A98.2Very high97.6Very high1 Ų169.8 Ų69.81%0.00835%0.345CS..Hα-helixtrans-62.3-40.817600000111.4V50 E51 V80 L81 E86 V87 L88 L93V50-A84 HydrophobicContact CG1-CB 4.11Å; E51-A84 HydrophobicContact CG-CB 4.09Å; V80-A84 WeakPolarHBondContact O-CB 3.22Å; V80-A84 PolarHBondContact O-N 3.29Å; L81-A84 PolarHBondContact O-N 2.89Å; A84-E86 VanDerWaalsContact C-N 3.32Å; A84-E86 PolarHBondContact O-N 3.28Å; A84-V87 PolarHBondContact O-N 3.28Å; A84-L88 VanDerWaalsContact O-CB 3.23Å; A84-L88 WeakPolarHBondContact O-CB 2.96Å; A84-L88 WeakPolarHBondContact O-CG 3.26Å; A84-L88 PolarHBondContact O-N 3.43Å; A84-L93 HydrophobicContact CB-CD1 4.22Å
85A98.2Very high97.4Very high3 Ų369.9 Ų69.93%0.02536%0.355CS..Hα-helixtrans-58.9-42.7175.400000112.2L81 E82 Q83 G89 K90 L93 R94L81-A85 VanDerWaalsContact O-CB 3.22Å; L81-A85 WeakPolarHBondContact O-CB 3.5Å; L81-A85 PolarHBondContact O-N 3.39Å; E82-A85 WeakPolarHBondContact O-CB 3.49Å; E82-A85 PolarHBondContact O-N 2.86Å; Q83-A85 VanDerWaalsContact C-N 3.32Å; Q83-A85 PolarHBondContact O-N 3.49Å; A85-G89 CarbonylContact O-C 3.48Å; A85-G89 WeakPolarHBondContact O-CA 3.23Å; A85-G89 PolarHBondContact O-N 2.97Å; A85-K90 WeakPolarHBondContact CA-O 3.25Å; A85-K90 WeakPolarHBondContact CB-O 3.2Å; A85-K90 PolarHBondContact O-N 3.03Å; A85-L93 HydrophobicContact CB-CB 4.19Å; A85-R94 HydrophobicContact CB-CG 4.05Å
86E97.8Very high97.1Very high153 Ų15369.3 Ų69.372%0.71535%0.352SS*.Hα-helixtrans-68.3-51.5177.1-174.7178.1179.700111.8E82 Q83 A84 L88 G89E82-E86 PolarHBondContact O-N 2.89Å; Q83-E86 PolarHBondContact O-N 3.04Å; A84-E86 VanDerWaalsContact C-N 3.32Å; A84-E86 PolarHBondContact O-N 3.28Å; E86-L88 VanDerWaalsContact C-N 3.26Å; E86-L88 PolarHBondContact O-N 3.43Å; E86-G89 PolarHBondContact O-N 3.43Å
87V96.2Very high97.1Very high75 Ų7563.6 Ų63.646%0.45533%0.328SS..Hα-helixtrans-60.4-35.9-178.4168.70000112.2Q83 A84Q83-V87 WeakPolarHBondContact O-CB 3.41Å; Q83-V87 VanDerWaalsContact O-CG2 3.29Å; Q83-V87 WeakPolarHBondContact O-CG2 3.47Å; Q83-V87 PolarHBondContact O-N 3.07Å; A84-V87 PolarHBondContact O-N 3.28Å
88L97.2Very high97.1Very high32 Ų3267.6 Ų67.617%0.16835%0.35CS..Hα-helixtrans-96-8.3-176.4-59179.4000113.8E51 A54 R55 A84 E86 K90 L93E51-L88 HydrophobicContact CB-CD1 4.49Å; A54-L88 HydrophobicContact CB-CD1 3.49Å; A54-L88 VanDerWaalsContact CB-CD1 3.49Å; R55-L88 HydrophobicContact CG-CD1 4.41Å; R55-L88 HydrophobicContact CG-CD2 3.81Å; R55-L88 VanDerWaalsContact NH2-CD2 3.29Å; A84-L88 VanDerWaalsContact O-CB 3.23Å; A84-L88 WeakPolarHBondContact O-CB 2.96Å; A84-L88 WeakPolarHBondContact O-CG 3.26Å; A84-L88 PolarHBondContact O-N 3.43Å; E86-L88 VanDerWaalsContact C-N 3.26Å; E86-L88 PolarHBondContact O-N 3.43Å; L88-K90 VanDerWaalsContact C-N 3.29Å; L88-K90 HydrophobicContact CB-CB 4.31Å; L88-K90 HydrophobicContact CB-CD 4.37Å; L88-K90 HydrophobicContact CB-CG 4.04Å; L88-K90 PolarHBondContact O-N 3.47Å; L88-L93 HydrophobicContact CD1-CD1 4.24Å
89G97.7Very high97.1Very high61 Ų6165.9 Ų65.963%0.62935%0.345SS*.THydrogen-bonded Turntrans63.234.2-171.200000113.2A85 E86 P91A85-G89 CarbonylContact O-C 3.48Å; A85-G89 WeakPolarHBondContact O-CA 3.23Å; A85-G89 PolarHBondContact O-N 2.97Å; E86-G89 PolarHBondContact O-N 3.43Å; G89-P91 WeakPolarHBondContact O-CD 3.37Å
90K96.8Very high97.1Very high61 Ų6161 Ų6127%0.26532%0.324SS..  trans-11974.8-176.9-67.5-166.4176.4-164.10111.4A54 A85 L88 E92 L93A54-K90 PolarHBondContact O-NZ 3.01Å; A85-K90 WeakPolarHBondContact CA-O 3.25Å; A85-K90 WeakPolarHBondContact CB-O 3.2Å; A85-K90 PolarHBondContact O-N 3.03Å; L88-K90 VanDerWaalsContact C-N 3.29Å; L88-K90 HydrophobicContact CB-CB 4.31Å; L88-K90 HydrophobicContact CB-CD 4.37Å; L88-K90 HydrophobicContact CB-CG 4.04Å; L88-K90 PolarHBondContact O-N 3.47Å; K90-E92 WeakPolarHBondContact CA-OE2 3.09Å; K90-E92 WeakPolarHBondContact CB-OE1 3.19Å; K90-E92 PolarHBondContact O-N 3.23Å; K90-L93 HydrophobicContact CB-CD1 3.89Å; K90-L93 HydrophobicContact CB-CG 3.85Å; K90-L93 WeakPolarHBondContact O-CB 3.35Å; K90-L93 WeakPolarHBondContact O-CG 3.27Å; K90-L93 PolarHBondContact O-N 3.4Å
91P96.4Very high97.1Very high77 Ų7764.5 Ų64.550%0.535%0.345SS..THydrogen-bonded Turntrans-58.8-27.3-176.825.2-35.2000114G89 L93 R94G89-P91 WeakPolarHBondContact O-CD 3.37Å; P91-L93 PolarHBondContact O-N 3.39Å; P91-R94 PolarHBondContact O-N 3.08Å
92E95.4Very high97.1Very high70 Ų7064.3 Ų64.333%0.32734%0.344SS..THydrogen-bonded Turntrans-60-23.7178.566.3-83-17000113.7K90 R94 T95 E96K90-E92 WeakPolarHBondContact CA-OE2 3.09Å; K90-E92 WeakPolarHBondContact CB-OE1 3.19Å; K90-E92 PolarHBondContact O-N 3.23Å; E92-R94 PolarHBondContact O-N 2.85Å; E92-R94 VanDerWaalsContact O-N 3.08Å; E92-T95 PolarHBondContact O-N 2.82Å; E92-T95 PolarHBondContact O-OG1 3.46Å; E92-T95 VanDerWaalsContact O-OG1 3.13Å; E92-E96 HydrophobicContact CB-CG 4.26Å; E92-E96 WeakPolarHBondContact O-CB 3.43Å; E92-E96 PolarHBondContact O-N 2.81Å
93L96.4Very high97Very high10 Ų1061.9 Ų61.95%0.05233%0.334CS..Hα-helixtrans-58.7-25176.6-64.7-179.6000113.1A54 W67 A84 A85 L88 K90 P91 T95 V97A54-L93 HydrophobicContact CB-CD1 3.74Å; A54-L93 HydrophobicContact CB-CD2 3.98Å; W67-L93 HydrophobicContact CZ2-CD2 3.9Å; A84-L93 HydrophobicContact CB-CD1 4.22Å; A85-L93 HydrophobicContact CB-CB 4.19Å; L88-L93 HydrophobicContact CD1-CD1 4.24Å; K90-L93 HydrophobicContact CB-CD1 3.89Å; K90-L93 HydrophobicContact CB-CG 3.85Å; K90-L93 WeakPolarHBondContact O-CB 3.35Å; K90-L93 WeakPolarHBondContact O-CG 3.27Å; K90-L93 PolarHBondContact O-N 3.4Å; P91-L93 PolarHBondContact O-N 3.39Å; L93-T95 VanDerWaalsContact C-N 3.27Å; L93-T95 PolarHBondContact O-N 3.46Å; L93-V97 HydrophobicContact CB-CG2 4.49Å; L93-V97 HydrophobicContact CD2-CG2 3.92Å
94R94.4Very high97Very high130 Ų13059.4 Ų59.449%0.49133%0.325SS..Hα-helixtrans-72.3-21.1178.4-61.7178.7-177.6134.22.6113.1E82 A85 P91 E92E82-R94 HydrophobicContact CG-CG 4.39Å; A85-R94 HydrophobicContact CB-CG 4.05Å; P91-R94 PolarHBondContact O-N 3.08Å; E92-R94 PolarHBondContact O-N 2.85Å; E92-R94 VanDerWaalsContact O-N 3.08Å
95T93.8Very high96.9Very high118 Ų11861.7 Ų61.772%0.72435%0.349SS*.Hα-helixtrans-119.6-26.7-173.350.10000113.4E92 L93E92-T95 PolarHBondContact O-N 2.82Å; E92-T95 PolarHBondContact O-OG1 3.46Å; E92-T95 VanDerWaalsContact O-OG1 3.13Å; L93-T95 VanDerWaalsContact C-N 3.27Å; L93-T95 PolarHBondContact O-N 3.46Å
96E93.5Very high96.9Very high142 Ų14267.4 Ų67.466%0.66438%0.375SS*.Hα-helixtrans-95.4-17.1-174.8-64.9-173.8176.600114.1E92E92-E96 HydrophobicContact CB-CG 4.26Å; E92-E96 WeakPolarHBondContact O-CB 3.43Å; E92-E96 PolarHBondContact O-N 2.81Å
97V97.8Very high96.9Very high11 Ų1164.4 Ų64.47%0.06737%0.369CS..SBendtrans-100.1116.1-178.5-175.30000110W67 V69 L81 L93W67-V97 HydrophobicContact CD2-CG1 4.15Å; W67-V97 HydrophobicContact CD2-CG2 4.41Å; W67-V97 HydrophobicContact CE3-CG1 3.81Å; W67-V97 HydrophobicContact CH2-CB 4.46Å; W67-V97 HydrophobicContact CH2-CG1 3.88Å; W67-V97 HydrophobicContact CH2-CG2 3.78Å; W67-V97 HydrophobicContact CZ2-CB 4.48Å; W67-V97 HydrophobicContact CZ2-CG1 4.2Å; W67-V97 HydrophobicContact CZ2-CG2 3.43Å; W67-V97 VanDerWaalsContact CZ2-CG2 3.43Å; W67-V97 HydrophobicContact CZ3-CG1 3.67Å; W67-V97 HydrophobicContact CZ3-CG2 4.4Å; V69-V97 HydrophobicContact CG1-CG1 4.2Å; L81-V97 HydrophobicContact CD1-CB 4.11Å; L81-V97 HydrophobicContact CD1-CG1 4.22Å; L81-V97 HydrophobicContact CD2-CB 3.9Å; L81-V97 HydrophobicContact CD2-CG1 3.75Å; L81-V97 HydrophobicContact CD2-CG2 4.31Å; L93-V97 HydrophobicContact CB-CG2 4.49Å; L93-V97 HydrophobicContact CD2-CG2 3.92Å
98D98.2Very high97Very high83 Ų8367.6 Ų67.644%0.44438%0.383SS..EExtended strand (participates in β ladder)trans-71.1148.4178.9-72.6-49.3000112.3Y34 A68 V69Y34-D98 HydrophobicContact CE1-CB 3.9Å; Y34-D98 WeakPolarHBondContact CE1-OD2 3.38Å; Y34-D98 VanDerWaalsContact OH-CB 3.25Å; Y34-D98 WeakPolarHBondContact OH-CB 3.44Å; Y34-D98 VanDerWaalsContact OH-CG 3.32Å; Y34-D98 PolarHBondContact OH-OD2 3.33Å; A68-D98 WeakPolarHBondContact CA-O 3.34Å; A68-D98 HydrophobicContact CB-CB 4.11Å; A68-D98 VanDerWaalsContact CB-O 3.31Å; A68-D98 WeakPolarHBondContact CB-O 3.35Å; V69-D98 PolarHBondContact N-O 3.37Å
99V98.6Very high97.1Very high41 Ų4167.4 Ų67.425%0.24839%0.385CS..EExtended strand (participates in β ladder)trans-112.4119.4179.2-178.90000109.9V69 K74 L77 E78 L81V69-V99 HydrophobicContact CG2-CB 4.43Å; V69-V99 HydrophobicContact CG2-CG1 4.49Å; V69-V99 HydrophobicContact CG2-CG2 3.9Å; K74-V99 HydrophobicContact CB-CG1 4.48Å; K74-V99 HydrophobicContact CG-CG1 3.91Å; L77-V99 HydrophobicContact CB-CG1 3.71Å; L77-V99 HydrophobicContact CD1-CG1 3.53Å; L77-V99 HydrophobicContact CG-CG1 4.26Å; E78-V99 HydrophobicContact CG-CG2 4.28Å; L81-V99 HydrophobicContact CD1-CG2 3.82Å
100I98.7Very high97.1Very high17 Ų1764.7 Ų64.79%0.08736%0.355CS..EExtended strand (participates in β ladder)trans-108.7125179.1-56172.9000109.4Y34 V37 A68 V69 A70 G71 M113Y34-I100 HydrophobicContact CD2-CD1 4.13Å; Y34-I100 HydrophobicContact CE2-CD1 3.75Å; V37-I100 HydrophobicContact CG1-CD1 4.2Å; V37-I100 HydrophobicContact CG2-CD1 4.16Å; A68-I100 HydrophobicContact CB-CD1 3.91Å; A68-I100 HydrophobicContact CB-CG1 4.28Å; V69-I100 PolarHBondContact O-N 2.94Å; A70-I100 WeakPolarHBondContact CA-O 3.37Å; A70-I100 HydrophobicContact CB-CB 4.03Å; G71-I100 PolarHBondContact N-O 3.17Å; I100-M113 HydrophobicContact CG2-CB 4.13Å; I100-M113 HydrophobicContact CG2-CG 4.22Å
101V98.6Very high97.2Very high85 Ų8562.6 Ų62.652%0.51535%0.349SS..EExtended strand (participates in β ladder)trans-84.4122.3172.1-178.90000109.3G71 K74G71-V101 WeakPolarHBondContact O-CA 3.47Å; K74-V101 HydrophobicContact CB-CG2 3.99Å
102A98.4Very high97.3Very high1 Ų161.2 Ų61.21%0.00835%0.345CS..  trans-147.4143.3176.400000110.7F39 G71 R72 M113F39-A102 HydrophobicContact CD2-CB 4.26Å; F39-A102 HydrophobicContact CE2-CB 3.71Å; F39-A102 WeakPolarHBondContact CE2-O 3.32Å; F39-A102 HydrophobicContact CZ-CB 4.46Å; G71-A102 CarbonylContact C-O 3.44Å; G71-A102 PolarHBondContact O-N 2.84Å; R72-A102 PolarHBondContact N-O 3.37Å; A102-M113 HydrophobicContact CB-CB 4.19Å; A102-M113 HydrophobicContact CB-SD 3.98Å
103D97.7Very high97.5Very high49 Ų4957.9 Ų57.926%0.26233%0.329SS..  trans-131.4137.1179-161.5-33.4000110.2R72 G105 E106 S109R72-D103 WeakPolarHBondContact CD-OD1 3.31Å; R72-D103 WeakPolarHBondContact CD-OD2 3.33Å; R72-D103 HydrophobicContact CG-CB 3.92Å; R72-D103 WeakPolarHBondContact CG-OD2 3.29Å; D103-G105 PolarHBondContact O-N 2.93Å; D103-G105 PolarHBondContact OD1-N 3.34Å; D103-E106 HydrophobicContact CB-CB 4.24Å; D103-E106 HydrophobicContact CB-CG 4.13Å; D103-E106 PolarHBondContact O-N 2.87Å; D103-S109 PolarHBondContact N-OG 3.42Å; D103-S109 PolarHBondContact O-OG 2.86Å; D103-S109 VanDerWaalsContact O-OG 3.14Å
104V96.6Very high97.6Very high27 Ų2757.4 Ų57.416%0.16433%0.327CS..THydrogen-bonded Turntrans-63.6-22.9174.6-66.10000112.9F39 E106 V124 F130 V134F39-V104 HydrophobicContact CE1-CG1 3.61Å; F39-V104 HydrophobicContact CZ-CG1 3.81Å; V104-E106 VanDerWaalsContact C-N 3.29Å; V104-V124 HydrophobicContact CG1-CG1 4.11Å; V104-F130 HydrophobicContact CG1-CB 4.37Å; V104-F130 HydrophobicContact CG2-CB 4.43Å; V104-F130 HydrophobicContact CG2-CD1 3.81Å; V104-F130 HydrophobicContact CG2-CG 4.39Å; V104-V134 HydrophobicContact CG1-CG2 4Å
105G96.4Very high97.7Very high50 Ų5056.8 Ų56.852%0.51533%0.328SS..THydrogen-bonded Turntrans-76.1-13.2172.900000114.4D103 P107D103-G105 PolarHBondContact O-N 2.93Å; D103-G105 PolarHBondContact OD1-N 3.34Å; G105-P107 WeakPolarHBondContact O-CD 3.46Å
106E98Very high97.9Very high123 Ų12354 Ų5458%0.57531%0.307SS*.  trans-12390.4-171.8-62.1-58.214800110.5D103 V104 D108 S109 L110D103-E106 HydrophobicContact CB-CB 4.24Å; D103-E106 HydrophobicContact CB-CG 4.13Å; D103-E106 PolarHBondContact O-N 2.87Å; V104-E106 VanDerWaalsContact C-N 3.29Å; E106-D108 VanDerWaalsContact C-N 3.28Å; E106-D108 PolarHBondContact O-N 2.94Å; E106-S109 WeakPolarHBondContact O-CB 3.4Å; E106-S109 PolarHBondContact O-N 3.25Å; E106-S109 PolarHBondContact O-OG 2.81Å; E106-L110 PolarHBondContact O-N 3.1Å
107P98.1Very high98.2Very high90 Ų9047.3 Ų47.358%0.58428%0.275SS*.Hα-helixtrans-54.4-37.7-173.1-29.236000114.8G105 S109 L110 A111G105-P107 WeakPolarHBondContact O-CD 3.46Å; P107-S109 VanDerWaalsContact C-N 3.29Å; P107-S109 PolarHBondContact O-N 2.97Å; P107-L110 PolarHBondContact O-N 2.86Å; P107-A111 PolarHBondContact O-N 3.17Å
108D98.4Very high98.2Very high142 Ų14246.9 Ų46.976%0.75927%0.272SS*.Hα-helixtrans-66.4-32.8179-71.8-23.1000112E106 A111 A112E106-D108 VanDerWaalsContact C-N 3.28Å; E106-D108 PolarHBondContact O-N 2.94Å; D108-A111 PolarHBondContact O-N 2.86Å; D108-A112 WeakPolarHBondContact O-CB 3.49Å; D108-A112 PolarHBondContact O-N 2.7Å
109S98.6Very high98.2Very high28 Ų2842.9 Ų42.920%0.19625%0.251CS..Hα-helixtrans-67.9-40.1175.181.80000111.5D103 E106 P107 A112 M113D103-S109 PolarHBondContact N-OG 3.42Å; D103-S109 PolarHBondContact O-OG 2.86Å; D103-S109 VanDerWaalsContact O-OG 3.14Å; E106-S109 WeakPolarHBondContact O-CB 3.4Å; E106-S109 PolarHBondContact O-N 3.25Å; E106-S109 PolarHBondContact O-OG 2.81Å; P107-S109 VanDerWaalsContact C-N 3.29Å; P107-S109 PolarHBondContact O-N 2.97Å; S109-A112 PolarHBondContact O-N 3.14Å; S109-M113 PolarHBondContact O-N 2.97Å
110L98.8Very high98.2Very high3 Ų341 Ų412%0.01624%0.239CC..Hα-helixtrans-64.8-42.9173.9-62.5-178.4000111F39 E106 P107 M113 C114 P133 V134 A137F39-L110 HydrophobicContact CE1-CD2 3.87Å; F39-L110 HydrophobicContact CE2-CD2 4.42Å; F39-L110 HydrophobicContact CZ-CD2 3.7Å; E106-L110 PolarHBondContact O-N 3.1Å; P107-L110 PolarHBondContact O-N 2.86Å; L110-M113 HydrophobicContact CD2-CE 4.38Å; L110-M113 PolarHBondContact O-N 2.85Å; L110-C114 WeakPolarHBondContact O-CB 3.4Å; L110-C114 PolarHBondContact O-N 2.96Å; L110-C114 PolarHBondContact O-SG 3.35Å; L110-P133 HydrophobicContact CD1-CB 3.86Å; L110-V134 HydrophobicContact CD2-CG2 4.49Å; L110-A137 HydrophobicContact CB-CB 3.65Å; L110-A137 HydrophobicContact CD1-CB 4.36Å
111A98.6Very high98.2Very high17 Ų1740.1 Ų40.114%0.1424%0.235CC..Hα-helixtrans-62.1-43.3176.700000111.6P107 D108 C114 K115P107-A111 PolarHBondContact O-N 3.17Å; D108-A111 PolarHBondContact O-N 2.86Å; A111-C114 PolarHBondContact O-N 3.4Å; A111-K115 WeakPolarHBondContact O-CB 3.35Å; A111-K115 VanDerWaalsContact O-CG 3.28Å; A111-K115 WeakPolarHBondContact O-CG 3.46Å; A111-K115 PolarHBondContact O-N 3.31Å
112A98.4Very high98.3Very high49 Ų4936.1 Ų36.141%0.40521%0.211SC..Hα-helixtrans-62.1-41.5176.700000112.5D108 S109 Q116D108-A112 WeakPolarHBondContact O-CB 3.49Å; D108-A112 PolarHBondContact O-N 2.7Å; S109-A112 PolarHBondContact O-N 3.14Å; A112-Q116 PolarHBondContact O-NE2 2.94Å
113M98.6Very high98.2Very high0 Ų036.8 Ų36.80%022%0.215CC..Hα-helixtrans-63.7-50.2172.9-179.1-171.46900111.4V37 F39 A70 I100 A102 S109 L110 K115 Q116 A117 V120V37-M113 HydrophobicContact CG1-CG 3.8Å; V37-M113 HydrophobicContact CG1-SD 3.93Å; F39-M113 HydrophobicContact CB-CE 4Å; F39-M113 HydrophobicContact CB-SD 3.87Å; F39-M113 HydrophobicContact CD1-CE 4.17Å; F39-M113 HydrophobicContact CD2-CE 4.06Å; F39-M113 HydrophobicContact CD2-SD 3.57Å; F39-M113 VanDerWaalsContact CD2-SD 3.57Å; F39-M113 HydrophobicContact CE2-SD 4.31Å; F39-M113 HydrophobicContact CG-CE 3.81Å; F39-M113 HydrophobicContact CG-SD 3.81Å; A70-M113 HydrophobicContact CB-CG 4.21Å; A70-M113 HydrophobicContact CB-SD 3.45Å; A70-M113 WeakPolarHBondContact CB-SD 3.46Å; I100-M113 HydrophobicContact CG2-CB 4.13Å; I100-M113 HydrophobicContact CG2-CG 4.22Å; A102-M113 HydrophobicContact CB-CB 4.19Å; A102-M113 HydrophobicContact CB-SD 3.98Å; S109-M113 PolarHBondContact O-N 2.97Å; L110-M113 HydrophobicContact CD2-CE 4.38Å; L110-M113 PolarHBondContact O-N 2.85Å; M113-K115 VanDerWaalsContact C-N 3.28Å; M113-K115 PolarHBondContact O-N 3.1Å; M113-Q116 PolarHBondContact O-N 3.21Å; M113-A117 PolarHBondContact O-N 3.45Å; M113-V120 HydrophobicContact CE-CG1 3.96Å; M113-V120 HydrophobicContact CE-CG2 4.32Å
114C98.5Very high98.1Very high0 Ų035.7 Ų35.70%021%0.21CC..Hα-helixtrans-64.9-30.5-177-66.60000112.5R32 L110 A111 Q116 A117 C138 N141 A143R32-C114 PolarHBondContact NH1-O 3.07Å; L110-C114 WeakPolarHBondContact O-CB 3.4Å; L110-C114 PolarHBondContact O-N 2.96Å; L110-C114 PolarHBondContact O-SG 3.35Å; A111-C114 PolarHBondContact O-N 3.4Å; C114-Q116 PolarHBondContact O-N 3.33Å; C114-A117 PolarHBondContact O-N 3.38Å; C114-C138 VanDerWaalsContact SG-SG 3.64Å; C114-N141 HydrophobicContact CB-CB 3.9Å; C114-A143 HydrophobicContact CB-CB 4.13Å; C114-A143 WeakPolarHBondContact O-CB 3.45Å
115K97.8Very high97.8Very high116 Ų11636.3 Ų36.350%0.50422%0.222SC..Hα-helixtrans-65-25.3175.1-78172.9-174.7175.20113.2R32 A111 M113 N141R32-K115 WeakPolarHBondContact CG-O 3.45Å; A111-K115 WeakPolarHBondContact O-CB 3.35Å; A111-K115 VanDerWaalsContact O-CG 3.28Å; A111-K115 WeakPolarHBondContact O-CG 3.46Å; A111-K115 PolarHBondContact O-N 3.31Å; M113-K115 VanDerWaalsContact C-N 3.28Å; M113-K115 PolarHBondContact O-N 3.1Å; K115-N141 WeakPolarHBondContact CE-OD1 3.25Å; K115-N141 HydrophobicContact CG-CB 4.14Å
116Q98.3Very high97.6Very high61 Ų6134.4 Ų34.429%0.28520%0.201SC..Hα-helixtrans-93.3-14.8-177.6-65.3174.775.600113.8R32 P33 Y34 A112 M113 C114R32-Q116 CarbonylContact C-O 3.31Å; R32-Q116 VanDerWaalsContact CA-O 3.27Å; R32-Q116 WeakPolarHBondContact CA-O 3.3Å; P33-Q116 WeakPolarHBondContact CD-O 3.3Å; Y34-Q116 HydrophobicContact CD2-CB 3.91Å; Y34-Q116 HydrophobicContact CE2-CB 4Å; Y34-Q116 PolarHBondContact N-O 2.98Å; A112-Q116 PolarHBondContact O-NE2 2.94Å; M113-Q116 PolarHBondContact O-N 3.21Å; C114-Q116 PolarHBondContact O-N 3.33Å
117A98.3Very high97.4Very high0 Ų029.1 Ų29.10%018%0.176CC..EExtended strand (participates in β ladder)trans-100.4142.1-175.300000112.2R32 V37 M113 C114 V120R32-A117 WeakPolarHBondContact CD-O 3.31Å; R32-A117 PolarHBondContact NH1-O 2.82Å; V37-A117 HydrophobicContact CB-CB 3.98Å; V37-A117 HydrophobicContact CG2-CB 3.52Å; M113-A117 PolarHBondContact O-N 3.45Å; C114-A117 PolarHBondContact O-N 3.38Å; A117-V120 HydrophobicContact CB-CG2 3.8Å
118V98.4Very high97.1Very high2 Ų227.7 Ų27.71%0.01216%0.159CC..EExtended strand (participates in β ladder)trans-76.6-50.4159176.60000109.4V26 E27 T28 R32 Y34 H35 H144 L411V26-V118 HydrophobicContact CB-CG1 4.4Å; E27-V118 WeakPolarHBondContact O-CG2 3.45Å; T28-V118 HydrophobicContact CG2-CG2 4.13Å; R32-V118 HydrophobicContact CB-CG2 4.33Å; Y34-V118 PolarHBondContact O-N 2.83Å; H35-V118 WeakPolarHBondContact O-CB 3.27Å; V118-H144 WeakPolarHBondContact O-CB 3.19Å; V118-H144 PolarHBondContact O-N 3.42Å; V118-L411 HydrophobicContact CG1-CD2 4.09Å
119I98.8Very high96.9Very high0 Ų025.3 Ų25.30%014%0.142CC..EExtended strand (participates in β ladder)trans-125.6131176.5-44-175.8000109.7H35 L36 V37 L121 H144 I146 A407 M410 L411H35-I119 PolarHBondContact O-N 3.03Å; L36-I119 CarbonylContact C-O 3.56Å; L36-I119 WeakPolarHBondContact CA-O 3.46Å; L36-I119 HydrophobicContact CD2-CB 3.76Å; L36-I119 HydrophobicContact CD2-CD1 3.96Å; L36-I119 HydrophobicContact CD2-CG1 4.12Å; L36-I119 HydrophobicContact CD2-CG2 4.4Å; V37-I119 PolarHBondContact N-O 2.89Å; I119-L121 HydrophobicContact CG2-CD2 4.03Å; I119-H144 CarbonylContact C-O 3.35Å; I119-H144 WeakPolarHBondContact CA-O 3.22Å; I119-H144 HydrophobicContact CB-CB 4.38Å; I119-H144 HydrophobicContact CG1-CB 4.11Å; I119-H144 HydrophobicContact CG2-CB 4.25Å; I119-I146 HydrophobicContact CG2-CB 4.47Å; I119-I146 HydrophobicContact CG2-CD1 4Å; I119-I146 HydrophobicContact CG2-CG1 3.97Å; I119-A407 HydrophobicContact CD1-CB 4.46Å; I119-M410 HydrophobicContact CD1-CB 4.19Å; I119-M410 HydrophobicContact CD1-CG 3.87Å; I119-M410 HydrophobicContact CD1-SD 3.83Å; I119-M410 HydrophobicContact CG1-SD 4.48Å; I119-L411 HydrophobicContact CD1-CD1 4.41Å; I119-L411 HydrophobicContact CD1-CD2 3.77Å; I119-L411 HydrophobicContact CD1-CG 3.72Å; I119-L411 HydrophobicContact CG1-CD2 4.17Å
120V98.9Very high96.7Very high0 Ų027.9 Ų27.90%015%0.149CC..EExtended strand (participates in β ladder)trans-95.9118.7166.9178.30000108.7V37 F39 M113 A117 N122 V134 A143 H144 I146V37-V120 WeakPolarHBondContact O-CA 3.37Å; F39-V120 HydrophobicContact CB-CG1 3.97Å; M113-V120 HydrophobicContact CE-CG1 3.96Å; M113-V120 HydrophobicContact CE-CG2 4.32Å; A117-V120 HydrophobicContact CB-CG2 3.8Å; V120-N122 PolarHBondContact O-N 3.01Å; V120-V134 HydrophobicContact CG1-CG1 4.23Å; V120-A143 HydrophobicContact CG2-CB 4.23Å; V120-H144 PolarHBondContact N-O 2.97Å; V120-I146 PolarHBondContact O-N 2.87Å
121L98.9Very high96.6Very high0 Ų027.8 Ų27.80%015%0.149CC..EExtended strand (participates in β ladder)trans-86.5100.7168.5-59.5-166.1000108L36 V37 I38 F39 V49 V53 I119 I146 M403 V404 A407L36-L121 HydrophobicContact CD1-CD1 4.07Å; V37-L121 PolarHBondContact O-N 2.95Å; I38-L121 HydrophobicContact CG1-CD1 4.34Å; F39-L121 PolarHBondContact N-O 3.16Å; V49-L121 HydrophobicContact CG1-CD1 4.06Å; V53-L121 HydrophobicContact CG2-CD1 4.17Å; I119-L121 HydrophobicContact CG2-CD2 4.03Å; L121-I146 HydrophobicContact CD2-CB 3.86Å; L121-I146 HydrophobicContact CD2-CD1 4.36Å; L121-I146 HydrophobicContact CD2-CG2 4.24Å; L121-M403 HydrophobicContact CB-CE 3.5Å; L121-M403 HydrophobicContact CB-SD 4.19Å; L121-M403 HydrophobicContact CD1-SD 4.48Å; L121-M403 HydrophobicContact CD2-CE 4.14Å; L121-M403 HydrophobicContact CD2-CG 4.49Å; L121-M403 HydrophobicContact CG-CE 4.29Å; L121-V404 HydrophobicContact CD1-CG2 4.46Å; L121-A407 HydrophobicContact CD2-CB 3.76Å
122N98.8Very high96.6Very high0 Ų030.7 Ų30.70%016%0.159CC..EExtended strand (participates in β ladder)trans-86114.8-178.3-175.119.7000110.7V120 V124 Y127 V134 H145 I146 D147V120-N122 PolarHBondContact O-N 3.01Å; N122-V124 WeakPolarHBondContact OD1-CB 3.17Å; N122-V124 PolarHBondContact OD1-N 2.91Å; N122-Y127 WeakPolarHBondContact ND2-CE1 3.49Å; N122-Y127 PolarHBondContact O-OH 2.65Å; N122-V134 HydrophobicContact CB-CG1 4.26Å; N122-H145 VanDerWaalsContact CB-NE2 3.33Å; N122-H145 WeakPolarHBondContact CB-NE2 3.44Å; N122-H145 PolarHBondContact ND2-NE2 3.16Å; N122-I146 PolarHBondContact N-O 3.36Å; N122-D147 HydrophobicContact CB-CB 4.24Å
123C98.1Very high96.6Very high15 Ų1530.6 Ų30.610%0.10116%0.155CC..  trans-111.615.6173.5-560000112.2F39 G125F39-C123 WeakPolarHBondContact O-CB 3.28Å; F39-C123 PolarHBondContact O-N 2.86Å; C123-G125 PolarHBondContact O-N 3.2Å
124V95.6Very high96.6Very high26 Ų2630.6 Ų30.616%0.15816%0.155CC..  trans-90.597-176.4-173.80000110.8F39 V104 N122 F130F39-V124 HydrophobicContact CD1-CB 4.4Å; F39-V124 HydrophobicContact CD1-CG2 3.47Å; F39-V124 VanDerWaalsContact CD1-CG2 3.47Å; F39-V124 HydrophobicContact CE1-CB 4.28Å; F39-V124 HydrophobicContact CE1-CG2 3.49Å; F39-V124 VanDerWaalsContact CE1-CG2 3.49Å; F39-V124 HydrophobicContact CG-CG2 4.07Å; F39-V124 HydrophobicContact CZ-CG2 4.09Å; V104-V124 HydrophobicContact CG1-CG1 4.11Å; N122-V124 WeakPolarHBondContact OD1-CB 3.17Å; N122-V124 PolarHBondContact OD1-N 2.91Å; V124-F130 HydrophobicContact CG1-CB 3.77Å; V124-F130 HydrophobicContact CG1-CG 4.39Å
125G89.1Confident96.6Very high40 Ų4030.6 Ų30.641%0.41216%0.155SC..SBendtrans-107.4169.3171.400000113.6C123C123-G125 PolarHBondContact O-N 3.2Å
126P92.6Very high96.7Very high10 Ų1029.1 Ų29.17%0.06515%0.148CC..SBendcis-65.7133.2-6.3-21.634.5000112.8R128 F129 F130 Q223P126-R128 VanDerWaalsContact C-N 3.32Å; P126-R128 PolarHBondContact O-N 3.47Å; P126-F129 HydrophobicContact CB-CD2 4.06Å; P126-F129 HydrophobicContact CB-CE2 4.47Å; P126-F129 HydrophobicContact CG-CD2 4.45Å; P126-F129 PolarHBondContact O-N 2.79Å; P126-F130 WeakPolarHBondContact O-CD2 3.45Å; P126-F130 PolarHBondContact O-N 3.44Å; P126-Q223 HydrophobicContact CG-CB 4.16Å
127Y94.8Very high96.7Very high13 Ų1326.5 Ų26.55%0.05114%0.137CC..Hα-helixtrans-69.7-29.9-165.4-74.8-91.6000113.1N122 F129 F130 G131 D147 I148 E151 F154N122-Y127 WeakPolarHBondContact ND2-CE1 3.49Å; N122-Y127 PolarHBondContact O-OH 2.65Å; Y127-F129 PolarHBondContact O-N 3.2Å; Y127-F129 VanDerWaalsContact O-N 3.08Å; Y127-F130 PolarHBondContact O-N 3.44Å; Y127-G131 VanDerWaalsContact O-CA 3.31Å; Y127-G131 WeakPolarHBondContact O-CA 3.36Å; Y127-G131 PolarHBondContact O-N 3.14Å; Y127-D147 HydrophobicContact CD1-CB 4.35Å; Y127-D147 HydrophobicContact CE1-CB 3.61Å; Y127-I148 HydrophobicContact CE2-CG1 4.46Å; Y127-I148 WeakPolarHBondContact OH-CG1 3.42Å; Y127-I148 PolarHBondContact OH-N 2.94Å; Y127-E151 PolarHBondContact N-OE1 3.05Å; Y127-E151 VanDerWaalsContact N-OE1 3.12Å; Y127-E151 PolarHBondContact N-OE2 2.87Å; Y127-F154 HydrophobicContact CD1-CD1 4.37Å; Y127-F154 AromaticContact CD1-CE1 3.88Å; Y127-F154 HydrophobicContact CD1-CE1 3.88Å; Y127-F154 HydrophobicContact CD1-CZ 4.13Å; Y127-F154 HydrophobicContact CG-CD1 4.25Å; Y127-F154 HydrophobicContact CG-CE1 4.23Å; Y127-F154 WeakPolarHBondContact O-CD2 3.49Å
128R91.6Very high96.7Very high60 Ų6026.5 Ų26.523%0.22614%0.137CC..Hα-helixtrans-58.2-23.6176.574.7176.7-50.4-148.8-6.9113.9P126 E151 Y227 D231P126-R128 VanDerWaalsContact C-N 3.32Å; P126-R128 PolarHBondContact O-N 3.47Å; R128-E151 WeakPolarHBondContact CB-OE2 3.33Å; R128-E151 PolarHBondContact N-OE2 3.31Å; R128-Y227 PolarHBondContact NH1-O 2.91Å; R128-D231 IonicContact CZ-OD2 2.75Å; R128-D231 VanDerWaalsContact NH2-CB 3.28Å; R128-D231 IonicContact NH2-OD1 3.03Å; R128-D231 PolarHBondContact NH2-OD1 3.02Å; R128-D231 IonicContact NH2-OD2 3.04Å; R128-D231 PolarHBondContact NH2-OD2 3.4Å
129F92.6Very high96.7Very high92 Ų9226.4 Ų26.440%0.40414%0.137SC..Hα-helixtrans-103.1-37.8179.8-56.9-55.2000112P126 Y127 Y227P126-F129 HydrophobicContact CB-CD2 4.06Å; P126-F129 HydrophobicContact CB-CE2 4.47Å; P126-F129 HydrophobicContact CG-CD2 4.45Å; P126-F129 PolarHBondContact O-N 2.79Å; Y127-F129 PolarHBondContact O-N 3.2Å; Y127-F129 VanDerWaalsContact O-N 3.08Å; F129-Y227 HydrophobicContact CE2-CD1 4.12Å; F129-Y227 AromaticContact CE2-CD2 3.6Å; F129-Y227 HydrophobicContact CE2-CD2 3.6Å; F129-Y227 HydrophobicContact CE2-CE1 4.29Å; F129-Y227 AromaticContact CE2-CE2 3.8Å; F129-Y227 HydrophobicContact CE2-CE2 3.8Å; F129-Y227 AromaticContact CE2-CG 3.78Å; F129-Y227 HydrophobicContact CE2-CG 3.78Å; F129-Y227 AromaticContact CZ-CD1 3.71Å; F129-Y227 HydrophobicContact CZ-CD1 3.71Å; F129-Y227 HydrophobicContact CZ-CD2 4.07Å; F129-Y227 AromaticContact CZ-CE1 3.94Å; F129-Y227 HydrophobicContact CZ-CE1 3.94Å; F129-Y227 HydrophobicContact CZ-CE2 4.29Å; F129-Y227 AromaticContact CZ-CG 3.79Å; F129-Y227 HydrophobicContact CZ-CG 3.79Å
130F95.4Very high96.7Very high82 Ų8230.1 Ų30.136%0.3615%0.154SC..Hα-helixtrans-116.3-10.8-167.7-53.9-55.4000114.3V104 V124 P126 Y127V104-F130 HydrophobicContact CG1-CB 4.37Å; V104-F130 HydrophobicContact CG2-CB 4.43Å; V104-F130 HydrophobicContact CG2-CD1 3.81Å; V104-F130 HydrophobicContact CG2-CG 4.39Å; V124-F130 HydrophobicContact CG1-CB 3.77Å; V124-F130 HydrophobicContact CG1-CG 4.39Å; P126-F130 WeakPolarHBondContact O-CD2 3.45Å; P126-F130 PolarHBondContact O-N 3.44Å; Y127-F130 PolarHBondContact O-N 3.44Å
131G97.3Very high96.6Very high0 Ų031.6 Ų31.60%016%0.162CC..Hα-helixtrans-77.5-42-174.100000113.8Y127 V134 V135 F154Y127-G131 VanDerWaalsContact O-CA 3.31Å; Y127-G131 WeakPolarHBondContact O-CA 3.36Å; Y127-G131 PolarHBondContact O-N 3.14Å; G131-V134 WeakPolarHBondContact O-CB 3.48Å; G131-V134 PolarHBondContact O-N 3.27Å; G131-V134 VanDerWaalsContact O-N 3.13Å; G131-V135 PolarHBondContact O-N 3.26Å; G131-V135 VanDerWaalsContact O-N 3.09Å; G131-F154 VanDerWaalsContact C-CE2 3.45Å
132E98.1Very high96.5Very high78 Ų7833 Ų3336%0.36418%0.176SC..Hα-helixtrans-60.8-44.4-175177.1166.3-157.300113.4V134 V135 K136 M158 Y162E132-V134 PolarHBondContact O-N 3.19Å; E132-V135 PolarHBondContact O-N 3.46Å; E132-K136 WeakPolarHBondContact O-CB 3.35Å; E132-K136 PolarHBondContact O-N 3.39Å; E132-M158 HydrophobicContact CB-CE 3.64Å; E132-M158 HydrophobicContact CB-SD 3.99Å; E132-M158 HydrophobicContact CG-CE 3.68Å; E132-M158 HydrophobicContact CG-SD 4.09Å; E132-Y162 HydrophobicContact CG-CE2 3.93Å; E132-Y162 WeakPolarHBondContact CG-OH 3.49Å; E132-Y162 VanDerWaalsContact OE1-CE2 3.31Å; E132-Y162 WeakPolarHBondContact OE1-CE2 3.45Å; E132-Y162 PolarHBondContact OE1-OH 3.04Å
133P98.6Very high96.5Very high47 Ų4733 Ų3331%0.30518%0.176SC..Hα-helixtrans-54.7-36.9175.2-27.936000113.3L110 A137L110-P133 HydrophobicContact CD1-CB 3.86Å; P133-A137 WeakPolarHBondContact O-CB 3.43Å; P133-A137 PolarHBondContact O-N 2.78Å
134V98.8Very high96.5Very high0 Ų032.5 Ų32.50%017%0.172CC..Hα-helixtrans-71.7-45.3179.2-172.80000111F39 V104 L110 V120 N122 G131 E132 K136 A137 C138F39-V134 HydrophobicContact CD1-CG1 4.14Å; F39-V134 HydrophobicContact CD1-CG2 3.83Å; F39-V134 HydrophobicContact CE1-CG2 3.55Å; V104-V134 HydrophobicContact CG1-CG2 4Å; L110-V134 HydrophobicContact CD2-CG2 4.49Å; V120-V134 HydrophobicContact CG1-CG1 4.23Å; N122-V134 HydrophobicContact CB-CG1 4.26Å; G131-V134 WeakPolarHBondContact O-CB 3.48Å; G131-V134 PolarHBondContact O-N 3.27Å; G131-V134 VanDerWaalsContact O-N 3.13Å; E132-V134 PolarHBondContact O-N 3.19Å; V134-K136 PolarHBondContact O-N 3.15Å; V134-A137 PolarHBondContact O-N 2.91Å; V134-C138 WeakPolarHBondContact O-CB 3.38Å; V134-C138 PolarHBondContact O-N 3.26Å; V134-C138 PolarHBondContact O-SG 3.45Å
135V98.8Very high96.6Very high0 Ų031.3 Ų31.30%017%0.165CC..Hα-helixtrans-59.8-47.3175.8172.60000110.5G131 E132 A137 C138 V139 F154 M158 Y162 V173G131-V135 PolarHBondContact O-N 3.26Å; G131-V135 VanDerWaalsContact O-N 3.09Å; E132-V135 PolarHBondContact O-N 3.46Å; V135-A137 PolarHBondContact O-N 3.1Å; V135-C138 WeakPolarHBondContact O-CB 3.42Å; V135-C138 PolarHBondContact O-N 3.08Å; V135-V139 HydrophobicContact CG1-CG2 4.35Å; V135-V139 WeakPolarHBondContact O-CG2 3.48Å; V135-V139 PolarHBondContact O-N 2.94Å; V135-F154 HydrophobicContact CG2-CE2 4.45Å; V135-F154 HydrophobicContact CG2-CZ 3.98Å; V135-M158 HydrophobicContact CB-SD 3.73Å; V135-M158 HydrophobicContact CG1-CG 4.39Å; V135-M158 HydrophobicContact CG1-SD 3.8Å; V135-M158 HydrophobicContact CG2-CG 4.04Å; V135-M158 HydrophobicContact CG2-SD 3.81Å; V135-Y162 HydrophobicContact CG1-CD2 4.03Å; V135-Y162 HydrophobicContact CG1-CG 4.05Å; V135-V173 HydrophobicContact CG1-CG1 4Å; V135-V173 HydrophobicContact CG1-CG2 4.18Å; V135-V173 HydrophobicContact CG2-CG1 4.21Å
136K98.7Very high97.1Very high86 Ų8629.4 Ų29.437%0.37415%0.145SC..Hα-helixtrans-56.2-50.3176.1-179.1175.7-179.4-69.10111.2E132 V134 C138 V139 E140 Y162E132-K136 WeakPolarHBondContact O-CB 3.35Å; E132-K136 PolarHBondContact O-N 3.39Å; V134-K136 PolarHBondContact O-N 3.15Å; K136-C138 VanDerWaalsContact C-N 3.33Å; K136-C138 PolarHBondContact O-N 3.3Å; K136-V139 PolarHBondContact O-N 3.38Å; K136-E140 WeakPolarHBondContact CE-OE1 3.39Å; K136-E140 HydrophobicContact CG-CG 4.29Å; K136-E140 IonicContact NZ-OE1 2.74Å; K136-E140 PolarHBondContact NZ-OE1 3.02Å; K136-E140 IonicContact NZ-OE2 3.34Å; K136-E140 PolarHBondContact NZ-OE2 3.04Å; K136-E140 VanDerWaalsContact O-CB 3.26Å; K136-E140 WeakPolarHBondContact O-CB 3.4Å; K136-E140 VanDerWaalsContact O-CG 3.3Å; K136-E140 WeakPolarHBondContact O-CG 3.26Å; K136-E140 PolarHBondContact O-N 3.13Å; K136-Y162 HydrophobicContact CB-CE1 3.84Å; K136-Y162 HydrophobicContact CG-CE1 4.09Å
137A98.7Very high97.4Very high6 Ų629 Ų295%0.0514%0.143CC..Hα-helixtrans-61.5-40.3179.300000112.4L110 P133 V134 V135 N141L110-A137 HydrophobicContact CB-CB 3.65Å; L110-A137 HydrophobicContact CD1-CB 4.36Å; P133-A137 WeakPolarHBondContact O-CB 3.43Å; P133-A137 PolarHBondContact O-N 2.78Å; V134-A137 PolarHBondContact O-N 2.91Å; V135-A137 PolarHBondContact O-N 3.1Å; A137-N141 VanDerWaalsContact O-CB 3.27Å; A137-N141 WeakPolarHBondContact O-CB 3.37Å; A137-N141 PolarHBondContact O-N 3.1Å; A137-N141 PolarHBondContact O-ND2 3.44Å
138C98.7Very high97.5Very high0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-62-53.1176.5-70.30000111.3C114 V134 V135 K136 E140 N141 G142 A143 H145C114-C138 VanDerWaalsContact SG-SG 3.64Å; V134-C138 WeakPolarHBondContact O-CB 3.38Å; V134-C138 PolarHBondContact O-N 3.26Å; V134-C138 PolarHBondContact O-SG 3.45Å; V135-C138 WeakPolarHBondContact O-CB 3.42Å; V135-C138 PolarHBondContact O-N 3.08Å; K136-C138 VanDerWaalsContact C-N 3.33Å; K136-C138 PolarHBondContact O-N 3.3Å; C138-E140 PolarHBondContact O-N 3.43Å; C138-N141 CarbonylContact O-C 3.56Å; C138-N141 PolarHBondContact O-N 3.09Å; C138-G142 PolarHBondContact O-N 3.32Å; C138-A143 CarbonylContact C-O 3.23Å; C138-A143 HydrophobicContact CB-CB 4.37Å; C138-A143 WeakPolarHBondContact CB-O 3.46Å; C138-A143 PolarHBondContact O-N 3.24Å; C138-H145 HydrophobicContact CB-CB 4.01Å
139V98.5Very high97.8Very high0 Ų026.2 Ų26.20%013%0.133CC..Hα-helixtrans-61.1-45.4178.3174.30000110.7V135 K136 N141 Q165 A166 K169 V171 V173V135-V139 HydrophobicContact CG1-CG2 4.35Å; V135-V139 WeakPolarHBondContact O-CG2 3.48Å; V135-V139 PolarHBondContact O-N 2.94Å; K136-V139 PolarHBondContact O-N 3.38Å; V139-N141 VanDerWaalsContact C-N 3.31Å; V139-N141 PolarHBondContact O-N 2.92Å; V139-Q165 HydrophobicContact CG1-CB 3.98Å; V139-Q165 HydrophobicContact CG1-CG 3.65Å; V139-A166 HydrophobicContact CG1-CB 4.43Å; V139-A166 HydrophobicContact CG2-CB 4.06Å; V139-K169 HydrophobicContact CG1-CD 4.47Å; V139-K169 WeakPolarHBondContact O-CD 3.46Å; V139-K169 PolarHBondContact O-NZ 3.24Å; V139-V171 HydrophobicContact CG2-CG1 4.19Å; V139-V173 HydrophobicContact CG2-CG2 3.76Å
140E98Very high97.8Very high78 Ų7823 Ų2336%0.36413%0.125SC..Hα-helixtrans-62.8-39.2-178.9-77.2178.4166.100112.6K136 C138 K169K136-E140 WeakPolarHBondContact CE-OE1 3.39Å; K136-E140 HydrophobicContact CG-CG 4.29Å; K136-E140 IonicContact NZ-OE1 2.74Å; K136-E140 PolarHBondContact NZ-OE1 3.02Å; K136-E140 IonicContact NZ-OE2 3.34Å; K136-E140 PolarHBondContact NZ-OE2 3.04Å; K136-E140 VanDerWaalsContact O-CB 3.26Å; K136-E140 WeakPolarHBondContact O-CB 3.4Å; K136-E140 VanDerWaalsContact O-CG 3.3Å; K136-E140 WeakPolarHBondContact O-CG 3.26Å; K136-E140 PolarHBondContact O-N 3.13Å; C138-E140 PolarHBondContact O-N 3.43Å; E140-K169 VanDerWaalsContact CA-NZ 3.33Å; E140-K169 PolarHBondContact O-NZ 3.44Å
141N97.6Very high97.8Very high31 Ų3119.8 Ų19.817%0.16611%0.112CC..Hα-helixtrans-102.910.1-174.2-63.9-84.2000113.6R32 C114 K115 A137 C138 V139 A143R32-N141 PolarHBondContact NH1-O 3.49Å; R32-N141 PolarHBondContact NH2-O 3.3Å; C114-N141 HydrophobicContact CB-CB 3.9Å; K115-N141 WeakPolarHBondContact CE-OD1 3.25Å; K115-N141 HydrophobicContact CG-CB 4.14Å; A137-N141 VanDerWaalsContact O-CB 3.27Å; A137-N141 WeakPolarHBondContact O-CB 3.37Å; A137-N141 PolarHBondContact O-N 3.1Å; A137-N141 PolarHBondContact O-ND2 3.44Å; C138-N141 CarbonylContact O-C 3.56Å; C138-N141 PolarHBondContact O-N 3.09Å; V139-N141 VanDerWaalsContact C-N 3.31Å; V139-N141 PolarHBondContact O-N 2.92Å; N141-A143 PolarHBondContact O-N 3.1Å
142G96.3Very high97.6Very high29 Ų2921 Ų2130%0.29912%0.12SC..THydrogen-bonded Turntrans73.521.8172.700000115.7C138C138-G142 PolarHBondContact O-N 3.32Å
143A98.2Very high97.4Very high0 Ų019.8 Ų19.80%011%0.114CC..  trans-94141.417000000110.2C114 V120 C138 N141 V171C114-A143 HydrophobicContact CB-CB 4.13Å; C114-A143 WeakPolarHBondContact O-CB 3.45Å; V120-A143 HydrophobicContact CG2-CB 4.23Å; C138-A143 CarbonylContact C-O 3.23Å; C138-A143 HydrophobicContact CB-CB 4.37Å; C138-A143 WeakPolarHBondContact CB-O 3.46Å; C138-A143 PolarHBondContact O-N 3.24Å; N141-A143 PolarHBondContact O-N 3.1Å; A143-V171 WeakPolarHBondContact O-CG1 3.32Å
144H98.7Very high97.3Very high5 Ų518 Ų182%0.02310%0.101CC..EExtended strand (participates in β ladder)trans-71.9155.2168.2-55.7-41.8000110.5R25 V118 I119 V120 G170 F172 M410R25-H144 PolarHBondContact O-NE2 3.12Å; V118-H144 WeakPolarHBondContact O-CB 3.19Å; V118-H144 PolarHBondContact O-N 3.42Å; I119-H144 CarbonylContact C-O 3.35Å; I119-H144 WeakPolarHBondContact CA-O 3.22Å; I119-H144 HydrophobicContact CB-CB 4.38Å; I119-H144 HydrophobicContact CG1-CB 4.11Å; I119-H144 HydrophobicContact CG2-CB 4.25Å; V120-H144 PolarHBondContact N-O 2.97Å; H144-G170 PolarHBondContact CE1-O 3.38Å; H144-F172 CarbonylContact C-O 3.58Å; H144-F172 WeakPolarHBondContact CA-O 3.4Å; H144-F172 AromaticContact CE1-CD2 3.84Å; H144-F172 PolarHBondContact ND1-N 3.38Å; H144-F172 VanDerWaalsContact ND1-N 3.17Å; H144-M410 HydrophobicContact CB-CE 3.77Å; H144-M410 HydrophobicContact CB-SD 4.14Å; H144-M410 WeakPolarHBondContact CD2-CE 3.29Å
145H98.8Very high97.2Very high0 Ų018.1 Ų18.10%010%0.102CC..EExtended strand (participates in β ladder)trans-131.4132.3-175.7175.8-86.8000110.1N122 C138 D147 F172 V173 I174N122-H145 VanDerWaalsContact CB-NE2 3.33Å; N122-H145 WeakPolarHBondContact CB-NE2 3.44Å; N122-H145 PolarHBondContact ND2-NE2 3.16Å; C138-H145 HydrophobicContact CB-CB 4.01Å; H145-D147 IonicContact CE1-OD2 3.32Å; H145-D147 PolarHBondContact CE1-OD2 3.09Å; H145-D147 VanDerWaalsContact CE1-OD2 3.25Å; H145-D147 IonicContact ND1-OD2 3.88Å; H145-F172 PolarHBondContact N-O 3.38Å; H145-V173 HydrophobicContact CB-CB 4.47Å; H145-V173 HydrophobicContact CB-CG1 4.29Å; H145-V173 HydrophobicContact CB-CG2 4.28Å; H145-V173 CarbonylContact O-C 3.49Å; H145-V173 WeakPolarHBondContact O-CA 3.02Å; H145-I174 PolarHBondContact O-N 2.94Å
146I98.9Very high97.1Very high0 Ų018.7 Ų18.70%011%0.105CC..EExtended strand (participates in β ladder)trans-130.9132.9172-65-177.8000107.6I119 V120 L121 N122 I174 C177 M403 A407I119-I146 HydrophobicContact CG2-CB 4.47Å; I119-I146 HydrophobicContact CG2-CD1 4Å; I119-I146 HydrophobicContact CG2-CG1 3.97Å; V120-I146 PolarHBondContact O-N 2.87Å; L121-I146 HydrophobicContact CD2-CB 3.86Å; L121-I146 HydrophobicContact CD2-CD1 4.36Å; L121-I146 HydrophobicContact CD2-CG2 4.24Å; N122-I146 PolarHBondContact N-O 3.36Å; I146-I174 WeakPolarHBondContact CA-O 3.19Å; I146-I174 HydrophobicContact CG1-CB 4.37Å; I146-C177 HydrophobicContact CG2-CB 3.48Å; I146-C177 VanDerWaalsContact CG2-CB 3.48Å; I146-M403 HydrophobicContact CG2-CE 4.14Å; I146-M403 HydrophobicContact CG2-CG 3.92Å; I146-M403 WeakPolarHBondContact O-CE 3.18Å; I146-A407 HydrophobicContact CD1-CB 3.86Å
147D98.6Very high97Very high2 Ų215 Ų151%0.0119%0.091CC..EExtended strand (participates in β ladder)trans-128.6170.1174.368.359.6000112.8N122 Y127 H145 S149 F154 I174 G175 S176 C177N122-D147 HydrophobicContact CB-CB 4.24Å; Y127-D147 HydrophobicContact CD1-CB 4.35Å; Y127-D147 HydrophobicContact CE1-CB 3.61Å; H145-D147 IonicContact CE1-OD2 3.32Å; H145-D147 PolarHBondContact CE1-OD2 3.09Å; H145-D147 VanDerWaalsContact CE1-OD2 3.25Å; H145-D147 IonicContact ND1-OD2 3.88Å; D147-S149 WeakPolarHBondContact OD1-CB 3.34Å; D147-S149 PolarHBondContact OD1-N 2.97Å; D147-F154 WeakPolarHBondContact OD2-CE1 3.2Å; D147-I174 PolarHBondContact N-O 3.35Å; D147-G175 VanDerWaalsContact OD1-CA 3.28Å; D147-G175 WeakPolarHBondContact OD1-CA 3.3Å; D147-S176 PolarHBondContact O-N 2.97Å; D147-S176 PolarHBondContact OD1-N 3Å; D147-C177 WeakPolarHBondContact O-CA 3.29Å; D147-C177 WeakPolarHBondContact O-CB 3.49Å; D147-C177 PolarHBondContact O-N 2.82Å
148I97.6Very high97Very high14 Ų1415.1 Ų15.17%0.0729%0.091CC..  trans-112.333.9174.156.8168.6000110.7T45 Y127 G150 T399 M403T45-I148 HydrophobicContact CG2-CD1 3.4Å; T45-I148 VanDerWaalsContact CG2-CD1 3.4Å; Y127-I148 HydrophobicContact CE2-CG1 4.46Å; Y127-I148 WeakPolarHBondContact OH-CG1 3.42Å; Y127-I148 PolarHBondContact OH-N 2.94Å; I148-G150 PolarHBondContact O-N 3.45Å; I148-T399 HydrophobicContact CB-CG2 4Å; I148-T399 HydrophobicContact CD1-CG2 3.82Å; I148-T399 HydrophobicContact CG2-CG2 3.74Å; I148-M403 HydrophobicContact CG2-CB 3.85Å; I148-M403 HydrophobicContact CG2-CE 4.22Å; I148-M403 HydrophobicContact CG2-CG 3.83Å; I148-M403 HydrophobicContact CG2-SD 3.62Å
149S96.4Very high97Very high0 Ų017.1 Ų17.10%010%0.1CC..  trans-73.6125.7-176.2-173.50000111.7D147 E151 F154 S176D147-S149 WeakPolarHBondContact OD1-CB 3.34Å; D147-S149 PolarHBondContact OD1-N 2.97Å; S149-E151 PolarHBondContact OG-N 3.29Å; S149-F154 WeakPolarHBondContact OG-CD1 3.47Å; S149-S176 WeakPolarHBondContact O-CA 2.99Å; S149-S176 WeakPolarHBondContact O-CB 3.49Å; S149-S176 PolarHBondContact O-OG 3.28Å
150G93.8Very high96.9Very high24 Ų2419.8 Ų19.825%0.24711%0.114CC..  trans-94.521.2166.500000113.8I148 P152 S276I148-G150 PolarHBondContact O-N 3.45Å; G150-P152 WeakPolarHBondContact O-CD 3.3Å; G150-S276 WeakPolarHBondContact O-CB 3.49Å
151E94.6Very high96.9Very high16 Ų1620.4 Ų20.48%0.07512%0.12CC..  trans-109.299-171.4-63173.6-165.300111.8Y127 R128 S149 Q153 F154 L155 S224Y127-E151 PolarHBondContact N-OE1 3.05Å; Y127-E151 VanDerWaalsContact N-OE1 3.12Å; Y127-E151 PolarHBondContact N-OE2 2.87Å; R128-E151 WeakPolarHBondContact CB-OE2 3.33Å; R128-E151 PolarHBondContact N-OE2 3.31Å; S149-E151 PolarHBondContact OG-N 3.29Å; E151-Q153 PolarHBondContact O-N 3.21Å; E151-Q153 VanDerWaalsContact O-N 3.08Å; E151-F154 HydrophobicContact CB-CB 4.16Å; E151-F154 PolarHBondContact O-N 2.91Å; E151-L155 WeakPolarHBondContact O-CG 3.39Å; E151-L155 PolarHBondContact O-N 3.24Å; E151-L155 VanDerWaalsContact O-N 3.07Å; E151-S224 VanDerWaalsContact OE1-CB 3.26Å; E151-S224 WeakPolarHBondContact OE1-CB 3.13Å; E151-S224 PolarHBondContact OE1-OG 3.31Å
152P94Very high96.9Very high26 Ų2620 Ų2017%0.16912%0.116CC..Hα-helixtrans-55.9-33.3-174.5-29.336.5000115G150 E156 L235G150-P152 WeakPolarHBondContact O-CD 3.3Å; P152-E156 VanDerWaalsContact O-CB 3.26Å; P152-E156 WeakPolarHBondContact O-CB 3.4Å; P152-E156 VanDerWaalsContact O-CG 3.31Å; P152-E156 WeakPolarHBondContact O-CG 3.47Å; P152-E156 PolarHBondContact O-N 3.29Å; P152-L235 HydrophobicContact CB-CD1 4.11Å; P152-L235 HydrophobicContact CB-CD2 3.93Å
153Q93.8Very high97Very high51 Ų5120.4 Ų20.424%0.23812%0.115CC..Hα-helixtrans-62.7-47.3177.4-178.1-170.817.600111.7E151 G157 D231 L235 L238E151-Q153 PolarHBondContact O-N 3.21Å; E151-Q153 VanDerWaalsContact O-N 3.08Å; Q153-G157 WeakPolarHBondContact O-CA 3.5Å; Q153-G157 PolarHBondContact O-N 2.92Å; Q153-D231 PolarHBondContact NE2-OD2 2.95Å; Q153-D231 PolarHBondContact OE1-OD2 2.85Å; Q153-L235 HydrophobicContact CB-CD1 4.35Å; Q153-L238 HydrophobicContact CG-CD2 4.41Å; Q153-L238 WeakPolarHBondContact O-CD2 3.41Å
154F95.9Very high96.9Very high9 Ų925.3 Ų25.34%0.03915%0.149CC..Hα-helixtrans-63.7-50.8177.8166.6-102.4000110Y127 G131 V135 D147 S149 E151 E156 G157 M158Y127-F154 HydrophobicContact CD1-CD1 4.37Å; Y127-F154 AromaticContact CD1-CE1 3.88Å; Y127-F154 HydrophobicContact CD1-CE1 3.88Å; Y127-F154 HydrophobicContact CD1-CZ 4.13Å; Y127-F154 HydrophobicContact CG-CD1 4.25Å; Y127-F154 HydrophobicContact CG-CE1 4.23Å; Y127-F154 WeakPolarHBondContact O-CD2 3.49Å; G131-F154 VanDerWaalsContact C-CE2 3.45Å; V135-F154 HydrophobicContact CG2-CE2 4.45Å; V135-F154 HydrophobicContact CG2-CZ 3.98Å; D147-F154 WeakPolarHBondContact OD2-CE1 3.2Å; S149-F154 WeakPolarHBondContact OG-CD1 3.47Å; E151-F154 HydrophobicContact CB-CB 4.16Å; E151-F154 PolarHBondContact O-N 2.91Å; F154-E156 PolarHBondContact O-N 2.82Å; F154-G157 PolarHBondContact O-N 3.39Å; F154-G157 VanDerWaalsContact O-N 3.11Å; F154-M158 HydrophobicContact CD2-CE 4.22Å; F154-M158 HydrophobicContact CD2-CG 3.92Å; F154-M158 HydrophobicContact CD2-SD 4.3Å; F154-M158 HydrophobicContact CE1-CG 4.18Å; F154-M158 HydrophobicContact CE2-CE 4.13Å; F154-M158 HydrophobicContact CE2-CG 3.42Å; F154-M158 VanDerWaalsContact CE2-CG 3.42Å; F154-M158 HydrophobicContact CE2-SD 3.65Å; F154-M158 HydrophobicContact CG-CG 4.47Å; F154-M158 HydrophobicContact CZ-CG 3.59Å; F154-M158 HydrophobicContact CZ-SD 4.23Å; F154-M158 WeakPolarHBondContact O-CG 3.49Å; F154-M158 PolarHBondContact O-N 3.24Å
155L96.9Very high96.9Very high4 Ų428 Ų282%0.02116%0.161CC..Hα-helixtrans-58.3-49.1-177.4-65.7166.8000113.2E151 G157 Q159 S176 V280E151-L155 WeakPolarHBondContact O-CG 3.39Å; E151-L155 PolarHBondContact O-N 3.24Å; E151-L155 VanDerWaalsContact O-N 3.07Å; L155-G157 VanDerWaalsContact C-N 3.34Å; L155-Q159 PolarHBondContact O-N 2.92Å; L155-S176 WeakPolarHBondContact CD1-OG 3.5Å; L155-S176 WeakPolarHBondContact CD2-OG 3.36Å; L155-V280 HydrophobicContact CD1-CG2 4Å
156E96.4Very high96.8Very high12 Ų1228 Ų286%0.05616%0.161CC..Hα-helixtrans-71-32.8177.4-67176.8-139.600110.8P152 F154 Q159 L160 L238 R239 F242 S279P152-E156 VanDerWaalsContact O-CB 3.26Å; P152-E156 WeakPolarHBondContact O-CB 3.4Å; P152-E156 VanDerWaalsContact O-CG 3.31Å; P152-E156 WeakPolarHBondContact O-CG 3.47Å; P152-E156 PolarHBondContact O-N 3.29Å; F154-E156 PolarHBondContact O-N 2.82Å; E156-Q159 PolarHBondContact O-N 3.41Å; E156-L160 PolarHBondContact O-N 3.45Å; E156-L238 HydrophobicContact CB-CD2 3.8Å; E156-R239 IonicContact OE1-CZ 2.72Å; E156-R239 IonicContact OE1-NE 2.82Å; E156-R239 PolarHBondContact OE1-NE 2.97Å; E156-R239 VanDerWaalsContact OE1-NE 3.07Å; E156-R239 IonicContact OE1-NH2 3.69Å; E156-R239 PolarHBondContact OE1-NH2 2.77Å; E156-R239 WeakPolarHBondContact OE2-CG 3.01Å; E156-R239 IonicContact OE2-CZ 3.45Å; E156-R239 IonicContact OE2-NE 3.73Å; E156-R239 PolarHBondContact OE2-NE 2.88Å; E156-F242 HydrophobicContact CB-CE2 4.06Å; E156-F242 HydrophobicContact CB-CZ 4.31Å; E156-F242 WeakPolarHBondContact O-CZ 3.13Å; E156-S279 PolarHBondContact OE1-OG 2.96Å
157G97.2Very high96.7Very high8 Ų829.7 Ų29.78%0.08218%0.175CC..Hα-helixtrans-63.9-45176.400000111.7Q153 F154 L155 Q159 L160 N161Q153-G157 WeakPolarHBondContact O-CA 3.5Å; Q153-G157 PolarHBondContact O-N 2.92Å; F154-G157 PolarHBondContact O-N 3.39Å; F154-G157 VanDerWaalsContact O-N 3.11Å; L155-G157 VanDerWaalsContact C-N 3.34Å; G157-Q159 VanDerWaalsContact C-N 3.3Å; G157-Q159 PolarHBondContact O-N 3.5Å; G157-L160 PolarHBondContact O-N 2.99Å; G157-N161 WeakPolarHBondContact O-CB 3.42Å; G157-N161 VanDerWaalsContact O-CG 3.29Å; G157-N161 PolarHBondContact O-N 3.31Å
158M98.3Very high96.6Very high8 Ų837.3 Ų37.34%0.03921%0.211CC..Hα-helixtrans-62.8-40.8177.4-65.3-52.892.600111.1E132 V135 F154 N161 Y162 V423E132-M158 HydrophobicContact CB-CE 3.64Å; E132-M158 HydrophobicContact CB-SD 3.99Å; E132-M158 HydrophobicContact CG-CE 3.68Å; E132-M158 HydrophobicContact CG-SD 4.09Å; V135-M158 HydrophobicContact CB-SD 3.73Å; V135-M158 HydrophobicContact CG1-CG 4.39Å; V135-M158 HydrophobicContact CG1-SD 3.8Å; V135-M158 HydrophobicContact CG2-CG 4.04Å; V135-M158 HydrophobicContact CG2-SD 3.81Å; F154-M158 HydrophobicContact CD2-CE 4.22Å; F154-M158 HydrophobicContact CD2-CG 3.92Å; F154-M158 HydrophobicContact CD2-SD 4.3Å; F154-M158 HydrophobicContact CE1-CG 4.18Å; F154-M158 HydrophobicContact CE2-CE 4.13Å; F154-M158 HydrophobicContact CE2-CG 3.42Å; F154-M158 VanDerWaalsContact CE2-CG 3.42Å; F154-M158 HydrophobicContact CE2-SD 3.65Å; F154-M158 HydrophobicContact CG-CG 4.47Å; F154-M158 HydrophobicContact CZ-CG 3.59Å; F154-M158 HydrophobicContact CZ-SD 4.23Å; F154-M158 WeakPolarHBondContact O-CG 3.49Å; F154-M158 PolarHBondContact O-N 3.24Å; M158-N161 PolarHBondContact O-N 2.97Å; M158-Y162 HydrophobicContact CE-CD2 4.32Å; M158-Y162 HydrophobicContact CE-CE2 3.95Å; M158-Y162 WeakPolarHBondContact O-CB 3.33Å; M158-Y162 PolarHBondContact O-N 3.2Å; M158-Y162 HydrophobicContact SD-CD2 3.84Å; M158-Y162 HydrophobicContact SD-CE2 3.78Å; M158-V423 HydrophobicContact CB-CG1 4.28Å
159Q97.9Very high96.5Very high42 Ų4240.9 Ų40.920%0.19623%0.226CC..Hα-helixtrans-62.9-45.1176-173.6-179.18.100112.1L155 E156 G157 N161 S163 F242 V423L155-Q159 PolarHBondContact O-N 2.92Å; E156-Q159 PolarHBondContact O-N 3.41Å; G157-Q159 VanDerWaalsContact C-N 3.3Å; G157-Q159 PolarHBondContact O-N 3.5Å; Q159-N161 VanDerWaalsContact C-N 3.35Å; Q159-N161 PolarHBondContact O-N 2.87Å; Q159-S163 WeakPolarHBondContact O-CB 3.27Å; Q159-S163 PolarHBondContact O-N 3.17Å; Q159-F242 HydrophobicContact CB-CE1 4.42Å; Q159-F242 HydrophobicContact CB-CZ 4.21Å; Q159-F242 HydrophobicContact CG-CE1 4.12Å; Q159-F242 HydrophobicContact CG-CZ 4.39Å; Q159-V423 HydrophobicContact CB-CB 4.18Å; Q159-V423 HydrophobicContact CB-CG1 3.89Å; Q159-V423 HydrophobicContact CG-CB 4.37Å
160L97.2Very high96.5Very high57 Ų5741.1 Ų41.130%0.29823%0.228SC..Hα-helixtrans-63-42.8179.5-17565.8000111.9E156 G157 L238 K241 F242E156-L160 PolarHBondContact O-N 3.45Å; G157-L160 PolarHBondContact O-N 2.99Å; L160-L238 HydrophobicContact CB-CD1 4.45Å; L160-L238 HydrophobicContact CD2-CD1 3.5Å; L160-K241 HydrophobicContact CD1-CB 4.48Å; L160-K241 HydrophobicContact CD2-CB 3.77Å; L160-K241 HydrophobicContact CD2-CD 3.88Å; L160-K241 HydrophobicContact CD2-CG 4.49Å; L160-F242 HydrophobicContact CB-CE1 4.13Å; L160-F242 HydrophobicContact CB-CE2 4.04Å; L160-F242 HydrophobicContact CB-CZ 3.71Å; L160-F242 HydrophobicContact CD1-CD1 4.07Å; L160-F242 HydrophobicContact CD1-CD2 4.36Å; L160-F242 HydrophobicContact CD1-CE1 4.15Å; L160-F242 HydrophobicContact CD1-CE2 4.42Å; L160-F242 HydrophobicContact CD1-CG 4.21Å; L160-F242 HydrophobicContact CD1-CZ 4.34Å
161N97.6Very high96.7Very high91 Ų9140 Ų4049%0.48722%0.217SC..Hα-helixtrans-89.1-33.2-168.8-64.7-12.5000113.5G157 M158 Q159G157-N161 WeakPolarHBondContact O-CB 3.42Å; G157-N161 VanDerWaalsContact O-CG 3.29Å; G157-N161 PolarHBondContact O-N 3.31Å; M158-N161 PolarHBondContact O-N 2.97Å; Q159-N161 VanDerWaalsContact C-N 3.35Å; Q159-N161 PolarHBondContact O-N 2.87Å
162Y98.4Very high96.9Very high22 Ų2239.4 Ų39.49%0.08621%0.214CC..Hα-helixtrans-117.9-9.9-167.9-63.1-84.8000115E132 V135 K136 M158 S164 Q165 A166E132-Y162 HydrophobicContact CG-CE2 3.93Å; E132-Y162 WeakPolarHBondContact CG-OH 3.49Å; E132-Y162 VanDerWaalsContact OE1-CE2 3.31Å; E132-Y162 WeakPolarHBondContact OE1-CE2 3.45Å; E132-Y162 PolarHBondContact OE1-OH 3.04Å; V135-Y162 HydrophobicContact CG1-CD2 4.03Å; V135-Y162 HydrophobicContact CG1-CG 4.05Å; K136-Y162 HydrophobicContact CB-CE1 3.84Å; K136-Y162 HydrophobicContact CG-CE1 4.09Å; M158-Y162 HydrophobicContact CE-CD2 4.32Å; M158-Y162 HydrophobicContact CE-CE2 3.95Å; M158-Y162 WeakPolarHBondContact O-CB 3.33Å; M158-Y162 PolarHBondContact O-N 3.2Å; M158-Y162 HydrophobicContact SD-CD2 3.84Å; M158-Y162 HydrophobicContact SD-CE2 3.78Å; Y162-S164 VanDerWaalsContact C-N 3.35Å; Y162-S164 PolarHBondContact O-N 2.81Å; Y162-Q165 PolarHBondContact O-N 3.44Å; Y162-A166 WeakPolarHBondContact O-CB 3.37Å; Y162-A166 PolarHBondContact O-N 3.14Å
163S97.4Very high97.1Very high38 Ų3838.3 Ų38.327%0.26621%0.207SC..Hα-helixtrans-56.7-45.1-174.8-170.90000113Q159 A167Q159-S163 WeakPolarHBondContact O-CB 3.27Å; Q159-S163 PolarHBondContact O-N 3.17Å; S163-A167 WeakPolarHBondContact O-CB 3.39Å; S163-A167 PolarHBondContact O-N 3.27Å
164S96.8Very high97.3Very high103 Ų10335.9 Ų35.972%0.7220%0.195SC*.Hα-helixtrans-65.1-45.6179.1-55.50000112.7Y162 A167 E168Y162-S164 VanDerWaalsContact C-N 3.35Å; Y162-S164 PolarHBondContact O-N 2.81Å; S164-A167 PolarHBondContact O-N 2.82Å; S164-E168 PolarHBondContact O-N 3.25Å
165Q97.8Very high97.4Very high61 Ų6135.6 Ų35.629%0.28520%0.195SC..Hα-helixtrans-68.2-39.1-179.3-167.5-173.528.800111.5V139 Y162 A167 E168 K169V139-Q165 HydrophobicContact CG1-CB 3.98Å; V139-Q165 HydrophobicContact CG1-CG 3.65Å; Y162-Q165 PolarHBondContact O-N 3.44Å; Q165-A167 VanDerWaalsContact C-N 3.35Å; Q165-E168 PolarHBondContact O-N 2.81Å; Q165-K169 PolarHBondContact O-N 3Å; Q165-K169 VanDerWaalsContact O-N 3.08Å
166A98.1Very high97.5Very high0 Ų035.4 Ų35.40%019%0.194CC..Hα-helixtrans-63.5-41174.500000111.1V139 Y162 K169 G170 V171 V173V139-A166 HydrophobicContact CG1-CB 4.43Å; V139-A166 HydrophobicContact CG2-CB 4.06Å; Y162-A166 WeakPolarHBondContact O-CB 3.37Å; Y162-A166 PolarHBondContact O-N 3.14Å; A166-K169 PolarHBondContact O-N 3.47Å; A166-G170 PolarHBondContact O-N 2.87Å; A166-V171 CarbonylContact C-O 3.59Å; A166-V171 WeakPolarHBondContact CB-O 3.2Å; A166-V171 PolarHBondContact O-N 3.09Å; A166-V173 HydrophobicContact CB-CG2 4.44Å
167A96.6Very high97.6Very high35 Ų3534.9 Ų34.929%0.28919%0.192SC..Hα-helixtrans-63.1-45.2174.300000113.1S163 S164 Q165 K169 G170 G421S163-A167 WeakPolarHBondContact O-CB 3.39Å; S163-A167 PolarHBondContact O-N 3.27Å; S164-A167 PolarHBondContact O-N 2.82Å; Q165-A167 VanDerWaalsContact C-N 3.35Å; A167-K169 VanDerWaalsContact C-N 3.28Å; A167-K169 PolarHBondContact O-N 3.03Å; A167-G170 PolarHBondContact O-N 3.24Å; A167-G421 VanDerWaalsContact CA-C 3.44Å; A167-G421 WeakPolarHBondContact CA-O 3.32Å; A167-G421 WeakPolarHBondContact CB-O 3.4Å
168E96.3Very high97.6Very high162 Ų16234.5 Ų34.576%0.75719%0.188SC*.Hα-helixtrans-59.5-40.2176.9-174.4-176172.900111.9S164 Q165S164-E168 PolarHBondContact O-N 3.25Å; Q165-E168 PolarHBondContact O-N 2.81Å
169K95.3Very high97.5Very high89 Ų8935.4 Ų35.439%0.38719%0.191SC..Hα-helixtrans-86.3-3.6-179.5-70-172.3168.1-1750114.7V139 E140 Q165 A166 A167 V171V139-K169 HydrophobicContact CG1-CD 4.47Å; V139-K169 WeakPolarHBondContact O-CD 3.46Å; V139-K169 PolarHBondContact O-NZ 3.24Å; E140-K169 VanDerWaalsContact CA-NZ 3.33Å; E140-K169 PolarHBondContact O-NZ 3.44Å; Q165-K169 PolarHBondContact O-N 3Å; Q165-K169 VanDerWaalsContact O-N 3.08Å; A166-K169 PolarHBondContact O-N 3.47Å; A167-K169 VanDerWaalsContact C-N 3.28Å; A167-K169 PolarHBondContact O-N 3.03Å; K169-V171 HydrophobicContact CB-CG2 4.02Å; K169-V171 PolarHBondContact O-N 2.83Å
170G95.6Very high97Very high5 Ų536 Ų365%0.05220%0.196CC..THydrogen-bonded Turntrans64.626.1-174.300000113.5H144 A166 A167H144-G170 PolarHBondContact CE1-O 3.38Å; A166-G170 PolarHBondContact O-N 2.87Å; A167-G170 PolarHBondContact O-N 3.24Å
171V97.9Very high97Very high2 Ų233.3 Ų33.31%0.01218%0.182CC..  trans-94.5133.7179.3170.10000110V139 A143 A166 K169 V173 G421 G422V139-V171 HydrophobicContact CG2-CG1 4.19Å; A143-V171 WeakPolarHBondContact O-CG1 3.32Å; A166-V171 CarbonylContact C-O 3.59Å; A166-V171 WeakPolarHBondContact CB-O 3.2Å; A166-V171 PolarHBondContact O-N 3.09Å; K169-V171 HydrophobicContact CB-CG2 4.02Å; K169-V171 PolarHBondContact O-N 2.83Å; V171-V173 HydrophobicContact CG1-CG2 4.35Å; V171-G421 CarbonylContact O-C 3.59Å; V171-G421 WeakPolarHBondContact O-CA 3.32Å; V171-G422 PolarHBondContact O-N 3.01Å
172F98.6Very high97Very high3 Ų329 Ų291%0.01316%0.159CC..EExtended strand (participates in β ladder)trans-96.8133.3170.6-63.6-101.4000110A24 H144 H145 I174 M410 L417 P418 K420 Y424A24-F172 HydrophobicContact CB-CD2 3.99Å; A24-F172 HydrophobicContact CB-CE2 3.32Å; A24-F172 HydrophobicContact CB-CZ 4.15Å; H144-F172 CarbonylContact C-O 3.58Å; H144-F172 WeakPolarHBondContact CA-O 3.4Å; H144-F172 AromaticContact CE1-CD2 3.84Å; H144-F172 PolarHBondContact ND1-N 3.38Å; H144-F172 VanDerWaalsContact ND1-N 3.17Å; H145-F172 PolarHBondContact N-O 3.38Å; F172-I174 HydrophobicContact CB-CD1 4.37Å; F172-I174 HydrophobicContact CB-CG1 4.19Å; F172-M410 HydrophobicContact CB-CE 3.7Å; F172-M410 HydrophobicContact CB-SD 4.46Å; F172-M410 HydrophobicContact CD2-CE 3.65Å; F172-M410 HydrophobicContact CG-CE 3.79Å; F172-L417 HydrophobicContact CE1-CB 4.17Å; F172-L417 HydrophobicContact CZ-CB 4.38Å; F172-P418 HydrophobicContact CE1-CB 4.19Å; F172-P418 HydrophobicContact CE1-CG 4.42Å; F172-P418 WeakPolarHBondContact CZ-O 3.24Å; F172-K420 WeakPolarHBondContact CE1-O 3.38Å; F172-K420 VanDerWaalsContact CZ-O 3.25Å; F172-K420 WeakPolarHBondContact CZ-O 3.09Å; F172-Y424 AromaticContact CD1-CD2 3.82Å; F172-Y424 HydrophobicContact CD1-CD2 3.82Å; F172-Y424 AromaticContact CD1-CE2 3.65Å; F172-Y424 HydrophobicContact CD1-CE2 3.65Å; F172-Y424 HydrophobicContact CE1-CD2 4.42Å; F172-Y424 AromaticContact CE1-CE2 3.88Å; F172-Y424 HydrophobicContact CE1-CE2 3.88Å
173V98.8Very high97Very high2 Ų227.9 Ų27.91%0.01216%0.155CC..EExtended strand (participates in β ladder)trans-118.5110169.2179.60000106.3V135 V139 H145 A166 V171 G422 V423 Y424V135-V173 HydrophobicContact CG1-CG1 4Å; V135-V173 HydrophobicContact CG1-CG2 4.18Å; V135-V173 HydrophobicContact CG2-CG1 4.21Å; V139-V173 HydrophobicContact CG2-CG2 3.76Å; H145-V173 HydrophobicContact CB-CB 4.47Å; H145-V173 HydrophobicContact CB-CG1 4.29Å; H145-V173 HydrophobicContact CB-CG2 4.28Å; H145-V173 CarbonylContact O-C 3.49Å; H145-V173 WeakPolarHBondContact O-CA 3.02Å; A166-V173 HydrophobicContact CB-CG2 4.44Å; V171-V173 HydrophobicContact CG1-CG2 4.35Å; V173-G422 PolarHBondContact N-O 2.86Å; V173-V423 HydrophobicContact CB-CB 4.35Å; V173-V423 HydrophobicContact CB-CG1 4.33Å; V173-V423 HydrophobicContact CB-CG2 3.89Å; V173-V423 HydrophobicContact CG1-CG1 4.19Å; V173-V423 HydrophobicContact CG1-CG2 4.28Å; V173-V423 HydrophobicContact CG2-CG2 4.27Å; V173-V423 CarbonylContact O-C 3.57Å; V173-V423 VanDerWaalsContact O-CA 3.29Å; V173-V423 WeakPolarHBondContact O-CA 3.37Å; V173-Y424 PolarHBondContact O-N 2.99Å
174I98.8Very high97.1Very high0 Ų026.1 Ų26.10%014%0.142CC..EExtended strand (participates in β ladder)trans-118.4102.1-174.2-43.3174.8000109H145 I146 D147 F172 C177 M410 Y424 A429 F430H145-I174 PolarHBondContact O-N 2.94Å; I146-I174 WeakPolarHBondContact CA-O 3.19Å; I146-I174 HydrophobicContact CG1-CB 4.37Å; D147-I174 PolarHBondContact N-O 3.35Å; F172-I174 HydrophobicContact CB-CD1 4.37Å; F172-I174 HydrophobicContact CB-CG1 4.19Å; I174-C177 WeakPolarHBondContact CG2-SG 3.49Å; I174-M410 HydrophobicContact CD1-SD 4.24Å; I174-Y424 WeakPolarHBondContact CA-O 3.22Å; I174-A429 HydrophobicContact CD1-CB 3.76Å; I174-A429 HydrophobicContact CG1-CB 4.21Å; I174-A429 HydrophobicContact CG2-CB 3.95Å; I174-F430 HydrophobicContact CD1-CE1 4.35Å; I174-F430 HydrophobicContact CD1-CE2 3.96Å; I174-F430 HydrophobicContact CD1-CZ 3.58Å; I174-F430 HydrophobicContact CG2-CE2 3.96Å
175G97.9Very high97.2Very high4 Ų421.2 Ų21.24%0.04111%0.108CC..  trans-84.2161.6-178.400000112.9D147 C177 Y424 P426D147-G175 VanDerWaalsContact OD1-CA 3.28Å; D147-G175 WeakPolarHBondContact OD1-CA 3.3Å; G175-C177 VanDerWaalsContact C-N 3.31Å; G175-C177 PolarHBondContact O-N 2.88Å; G175-Y424 PolarHBondContact N-O 2.83Å; G175-Y424 VanDerWaalsContact N-O 3.17Å; G175-P426 VanDerWaalsContact O-CD 3.3Å; G175-P426 WeakPolarHBondContact O-CD 3.32Å; G175-P426 WeakPolarHBondContact O-CG 3.33Å
176S97.8Very high97.2Very high0 Ų018.3 Ų18.30%09%0.094CC..  trans60.333.8174.4-47.60000115D147 S149 L155 G178 P426D147-S176 PolarHBondContact O-N 2.97Å; D147-S176 PolarHBondContact OD1-N 3Å; S149-S176 WeakPolarHBondContact O-CA 2.99Å; S149-S176 WeakPolarHBondContact O-CB 3.49Å; S149-S176 PolarHBondContact O-OG 3.28Å; L155-S176 WeakPolarHBondContact CD1-OG 3.5Å; L155-S176 WeakPolarHBondContact CD2-OG 3.36Å; S176-G178 PolarHBondContact O-N 3.29Å; S176-P426 WeakPolarHBondContact O-CG 3.45Å
177C98.4Very high97.3Very high0 Ų018.3 Ų18.30%09%0.094CC..  trans-79.736.9174.5-64.70000112.8I146 D147 I174 G175 I182 A402 M403 A406I146-C177 HydrophobicContact CG2-CB 3.48Å; I146-C177 VanDerWaalsContact CG2-CB 3.48Å; D147-C177 WeakPolarHBondContact O-CA 3.29Å; D147-C177 WeakPolarHBondContact O-CB 3.49Å; D147-C177 PolarHBondContact O-N 2.82Å; I174-C177 WeakPolarHBondContact CG2-SG 3.49Å; G175-C177 VanDerWaalsContact C-N 3.31Å; G175-C177 PolarHBondContact O-N 2.88Å; C177-I182 HydrophobicContact CB-CD1 3.89Å; C177-A402 CarbonylContact O-C 3.57Å; C177-M403 WeakPolarHBondContact O-CA 3.29Å; C177-M403 VanDerWaalsContact O-CB 3.29Å; C177-M403 WeakPolarHBondContact O-CB 3.5Å; C177-M403 PolarHBondContact O-N 3.25Å; C177-A406 HydrophobicContact CB-CB 4.12Å
178G97.4Very high97.4Very high0 Ų016.7 Ų16.70%08%0.081CC..SBendtrans-119.7-167.3173.700000111.2S176 D180 S181 I182S176-G178 PolarHBondContact O-N 3.29Å; G178-D180 PolarHBondContact O-N 3.15Å; G178-S181 PolarHBondContact O-N 3.37Å; G178-I182 WeakPolarHBondContact O-CB 3.48Å; G178-I182 PolarHBondContact O-N 3.26Å
179F95.9Very high97.5Very high27 Ų279 Ų912%0.1185%0.045CC..THydrogen-bonded Turntrans-58.5-28.6167.4175.1-93.8000111.9S181 P183 L206 F361 F363 A394 T399F179-S181 PolarHBondContact O-N 2.73Å; F179-P183 HydrophobicContact CD2-CG 3.78Å; F179-P183 HydrophobicContact CE2-CG 4.19Å; F179-P183 WeakPolarHBondContact O-CD 3.37Å; F179-L206 HydrophobicContact CE1-CD2 4.25Å; F179-L206 HydrophobicContact CZ-CD1 3.77Å; F179-L206 HydrophobicContact CZ-CD2 4.03Å; F179-F361 AromaticContact CD2-CD1 3.77Å; F179-F361 HydrophobicContact CD2-CD1 3.77Å; F179-F361 HydrophobicContact CD2-CD2 4.44Å; F179-F361 AromaticContact CD2-CE1 3.82Å; F179-F361 HydrophobicContact CD2-CE1 3.82Å; F179-F361 HydrophobicContact CD2-CE2 4.47Å; F179-F361 HydrophobicContact CD2-CG 4.11Å; F179-F361 HydrophobicContact CD2-CZ 4.18Å; F179-F361 HydrophobicContact CE2-CB 3.84Å; F179-F361 AromaticContact CE2-CD1 3.48Å; F179-F361 HydrophobicContact CE2-CD1 3.48Å; F179-F361 VanDerWaalsContact CE2-CD1 3.48Å; F179-F361 AromaticContact CE2-CD2 3.57Å; F179-F361 HydrophobicContact CE2-CD2 3.57Å; F179-F361 AromaticContact CE2-CE1 3.86Å; F179-F361 HydrophobicContact CE2-CE1 3.86Å; F179-F361 AromaticContact CE2-CE2 3.92Å; F179-F361 HydrophobicContact CE2-CE2 3.92Å; F179-F361 AromaticContact CE2-CG 3.33Å; F179-F361 HydrophobicContact CE2-CG 3.33Å; F179-F361 HydrophobicContact CE2-CZ 4.06Å; F179-F361 HydrophobicContact CZ-CB 4.14Å; F179-F361 HydrophobicContact CZ-CD2 4.4Å; F179-F361 HydrophobicContact CZ-CG 4.12Å; F179-F363 HydrophobicContact CE2-CD2 4.37Å; F179-F363 AromaticContact CE2-CE2 3.85Å; F179-F363 HydrophobicContact CE2-CE2 3.85Å; F179-F363 AromaticContact CZ-CE2 3.75Å; F179-F363 HydrophobicContact CZ-CE2 3.75Å; F179-A394 HydrophobicContact CB-CB 4.38Å; F179-A394 WeakPolarHBondContact CB-O 3.44Å; F179-A394 HydrophobicContact CD1-CB 3.57Å; F179-A394 HydrophobicContact CD2-CB 3.7Å; F179-A394 HydrophobicContact CE1-CB 3.65Å; F179-A394 HydrophobicContact CE2-CB 3.83Å; F179-A394 HydrophobicContact CG-CB 3.59Å; F179-A394 HydrophobicContact CZ-CB 3.78Å; F179-T399 WeakPolarHBondContact CB-OG1 3.32Å; F179-T399 PolarHBondContact N-OG1 3.19Å
180D87.8Confident97.7Very high55 Ų556.3 Ų6.329%0.2943%0.033SC..THydrogen-bonded Turntrans-51-25179.2-70.7-76.7000115G178 S276G178-D180 PolarHBondContact O-N 3.15Å; D180-S276 PolarHBondContact O-OG 3.08Å; D180-S276 VanDerWaalsContact O-OG 3.07Å
181S97.4Very high97.8Very high0 Ų06.1 Ų6.10%03%0.03CC..THydrogen-bonded Turntrans-157.1-13.4169.8-71.10000117G178 F179 A184 D185 S276 V280G178-S181 PolarHBondContact O-N 3.37Å; F179-S181 PolarHBondContact O-N 2.73Å; S181-A184 PolarHBondContact O-N 2.91Å; S181-D185 WeakPolarHBondContact O-CB 3.27Å; S181-D185 PolarHBondContact O-N 3.13Å; S181-S276 PolarHBondContact OG-OG 2.92Å; S181-V280 WeakPolarHBondContact OG-CB 3.39Å; S181-V280 VanDerWaalsContact OG-CG2 3.31Å; S181-V280 WeakPolarHBondContact OG-CG2 3.3Å
182I98.6Very high97.8Very high0 Ų08.6 Ų8.60%04%0.039CC..Hα-helixtrans-57.6-49.9179.2-83.5178.8000112.3C177 G178 A184 D185 M186 A402 A406 P426 L435 L439C177-I182 HydrophobicContact CB-CD1 3.89Å; G178-I182 WeakPolarHBondContact O-CB 3.48Å; G178-I182 PolarHBondContact O-N 3.26Å; I182-A184 VanDerWaalsContact C-N 3.28Å; I182-A184 PolarHBondContact O-N 3.31Å; I182-D185 PolarHBondContact O-N 3.09Å; I182-M186 HydrophobicContact CG2-CG 4.2Å; I182-M186 VanDerWaalsContact O-CB 3.25Å; I182-M186 WeakPolarHBondContact O-CB 3.46Å; I182-M186 PolarHBondContact O-N 3.29Å; I182-A402 HydrophobicContact CB-CB 4.15Å; I182-A402 HydrophobicContact CD1-CB 3.84Å; I182-A402 WeakPolarHBondContact CD1-O 3.26Å; I182-A402 HydrophobicContact CG2-CB 4.14Å; I182-A406 HydrophobicContact CD1-CB 4.19Å; I182-P426 HydrophobicContact CD1-CB 4.43Å; I182-P426 HydrophobicContact CG1-CB 3.7Å; I182-P426 HydrophobicContact CG1-CG 3.87Å; I182-L435 HydrophobicContact CD1-CD2 4.46Å; I182-L439 HydrophobicContact CG2-CD1 3.6Å; I182-L439 HydrophobicContact CG2-CD2 4.48Å
183P98.4Very high97.8Very high0 Ų012.4 Ų12.40%06%0.06CC..Hα-helixtrans-58.5-40.4178.4-26.335.7000112.9F179 G187 F361 F363 F365 I389F179-P183 HydrophobicContact CD2-CG 3.78Å; F179-P183 HydrophobicContact CE2-CG 4.19Å; F179-P183 WeakPolarHBondContact O-CD 3.37Å; P183-G187 VanDerWaalsContact O-CA 3.29Å; P183-G187 WeakPolarHBondContact O-CA 3.46Å; P183-G187 PolarHBondContact O-N 2.85Å; P183-F361 HydrophobicContact CB-CE2 4.14Å; P183-F361 HydrophobicContact CB-CZ 4.35Å; P183-F361 HydrophobicContact CG-CE2 4.33Å; P183-F361 HydrophobicContact CG-CZ 4.08Å; P183-F363 HydrophobicContact CB-CD2 3.76Å; P183-F363 HydrophobicContact CB-CE2 3.85Å; P183-F365 WeakPolarHBondContact O-CZ 3.44Å; P183-I389 HydrophobicContact CB-CG2 4.18Å
184A98.6Very high97.8Very high0 Ų016.6 Ų16.60%08%0.079CC..Hα-helixtrans-68.8-53.3178.600000112.4S181 I182 G187 V188 D277 F363S181-A184 PolarHBondContact O-N 2.91Å; I182-A184 VanDerWaalsContact C-N 3.28Å; I182-A184 PolarHBondContact O-N 3.31Å; A184-G187 PolarHBondContact O-N 3.44Å; A184-V188 WeakPolarHBondContact O-CG2 3.49Å; A184-V188 PolarHBondContact O-N 3.48Å; A184-V188 VanDerWaalsContact O-N 3.11Å; A184-D277 HydrophobicContact CB-CB 3.68Å; A184-D277 WeakPolarHBondContact CB-OD2 3.43Å; A184-F363 HydrophobicContact CB-CE1 4.4Å; A184-F363 HydrophobicContact CB-CZ 4.3Å
185D98.8Very high97.7Very high0 Ų017.4 Ų17.40%08%0.083CC..Hα-helixtrans-72.9-51.3-171.8-162.624.9000111.9S181 I182 G187 V188 I189 V280 V281 T284 P426 G427S181-D185 WeakPolarHBondContact O-CB 3.27Å; S181-D185 PolarHBondContact O-N 3.13Å; I182-D185 PolarHBondContact O-N 3.09Å; D185-G187 PolarHBondContact O-N 3.44Å; D185-V188 PolarHBondContact O-N 3.43Å; D185-I189 WeakPolarHBondContact O-CG1 3.32Å; D185-I189 PolarHBondContact O-N 3.13Å; D185-V280 HydrophobicContact CB-CG1 4.18Å; D185-V280 WeakPolarHBondContact OD2-CG1 3.42Å; D185-V281 HydrophobicContact CB-CG2 4.22Å; D185-V281 WeakPolarHBondContact OD1-CA 3.27Å; D185-T284 WeakPolarHBondContact OD1-CB 3.3Å; D185-T284 WeakPolarHBondContact OD1-CG2 3.12Å; D185-T284 PolarHBondContact OD1-OG1 3.24Å; D185-T284 PolarHBondContact OD2-OG1 3.12Å; D185-P426 WeakPolarHBondContact OD2-CD 3.03Å; D185-G427 WeakPolarHBondContact OD2-CA 3.37Å; D185-G427 PolarHBondContact OD2-N 3.35Å
186M98.9Very high97.6Very high1 Ų125.7 Ų25.71%0.00512%0.118CC..Hα-helixtrans-67.4-24.9173.1-60.4-57-64.100111.7I182 I189 Y190 F430 L435 I436 F446I182-M186 HydrophobicContact CG2-CG 4.2Å; I182-M186 VanDerWaalsContact O-CB 3.25Å; I182-M186 WeakPolarHBondContact O-CB 3.46Å; I182-M186 PolarHBondContact O-N 3.29Å; M186-I189 PolarHBondContact O-N 3.18Å; M186-Y190 VanDerWaalsContact O-CB 3.31Å; M186-Y190 WeakPolarHBondContact O-CB 3.29Å; M186-Y190 PolarHBondContact O-N 3.06Å; M186-F430 HydrophobicContact CE-CB 4.16Å; M186-F430 HydrophobicContact SD-CB 4.19Å; M186-L435 HydrophobicContact CE-CB 4.5Å; M186-L435 HydrophobicContact CE-CD2 4.38Å; M186-L435 HydrophobicContact CG-CD2 4.26Å; M186-L435 HydrophobicContact SD-CD2 4.35Å; M186-I436 HydrophobicContact CB-CG1 4.28Å; M186-I436 HydrophobicContact CE-CD1 3.87Å; M186-I436 HydrophobicContact CE-CG1 3.85Å; M186-F446 HydrophobicContact CB-CE1 4.08Å; M186-F446 HydrophobicContact CB-CZ 4.1Å
187G98.8Very high97.5Very high0 Ų026.8 Ų26.80%013%0.129CC..Hα-helixtrans-66.5-37.8173.700000113P183 A184 D185 T191P183-G187 VanDerWaalsContact O-CA 3.29Å; P183-G187 WeakPolarHBondContact O-CA 3.46Å; P183-G187 PolarHBondContact O-N 2.85Å; A184-G187 PolarHBondContact O-N 3.44Å; D185-G187 PolarHBondContact O-N 3.44Å; G187-T191 VanDerWaalsContact O-CB 3.32Å; G187-T191 WeakPolarHBondContact O-CB 3.15Å; G187-T191 PolarHBondContact O-N 3.33Å; G187-T191 PolarHBondContact O-OG1 3.08Å
188V98.8Very high97.4Very high0 Ų028.8 Ų28.80%014%0.141CC..Hα-helixtrans-65.9-42.3171177.10000111A184 D185 T191 R192 V202 V281 V297 Y299 F365A184-V188 WeakPolarHBondContact O-CG2 3.49Å; A184-V188 PolarHBondContact O-N 3.48Å; A184-V188 VanDerWaalsContact O-N 3.11Å; D185-V188 PolarHBondContact O-N 3.43Å; V188-T191 PolarHBondContact O-N 3.21Å; V188-R192 WeakPolarHBondContact O-CB 3.3Å; V188-R192 PolarHBondContact O-N 2.64Å; V188-V202 HydrophobicContact CG2-CG1 4.28Å; V188-V281 HydrophobicContact CG2-CG1 4.03Å; V188-V281 HydrophobicContact CG2-CG2 4.28Å; V188-V297 HydrophobicContact CG1-CB 4.2Å; V188-V297 HydrophobicContact CG1-CG1 4.13Å; V188-Y299 HydrophobicContact CG2-CD2 3.73Å; V188-Y299 HydrophobicContact CG2-CE2 3.72Å; V188-Y299 HydrophobicContact CG2-CG 4.44Å; V188-F365 HydrophobicContact CG2-CD1 4.4Å; V188-F365 HydrophobicContact CG2-CE1 3.9Å
189I98.8Very high97.4Very high2 Ų229 Ų291%0.0114%0.142CC..Hα-helixtrans-59.3-52.1175.8-62.1-56.9000110.9D185 M186 T191 R192 D193 T284 L288 A431D185-I189 WeakPolarHBondContact O-CG1 3.32Å; D185-I189 PolarHBondContact O-N 3.13Å; M186-I189 PolarHBondContact O-N 3.18Å; I189-T191 VanDerWaalsContact C-N 3.33Å; I189-T191 PolarHBondContact O-N 3.31Å; I189-R192 WeakPolarHBondContact O-CB 3.39Å; I189-R192 PolarHBondContact O-N 3.08Å; I189-D193 WeakPolarHBondContact CG2-OD2 3.12Å; I189-D193 PolarHBondContact O-N 3.12Å; I189-T284 HydrophobicContact CD1-CG2 3.9Å; I189-L288 HydrophobicContact CD1-CD1 3.59Å; I189-A431 HydrophobicContact CD1-CB 4.06Å; I189-A431 HydrophobicContact CG1-CB 4.3Å; I189-A431 HydrophobicContact CG2-CB 4.05Å
190Y98.8Very high97.4Very high32 Ų3227.8 Ų27.813%0.12514%0.137CC..Hα-helixtrans-56.9-47.4177.6-178.6-102.7000111.4M186 R192 D193 Q194 T387 I436 F446 S447 V448M186-Y190 VanDerWaalsContact O-CB 3.31Å; M186-Y190 WeakPolarHBondContact O-CB 3.29Å; M186-Y190 PolarHBondContact O-N 3.06Å; Y190-R192 VanDerWaalsContact C-N 3.32Å; Y190-R192 PolarHBondContact O-N 3.1Å; Y190-D193 PolarHBondContact O-N 3.02Å; Y190-D193 VanDerWaalsContact O-N 3.16Å; Y190-Q194 HydrophobicContact CD1-CG 4.21Å; Y190-Q194 HydrophobicContact CD2-CG 4.21Å; Y190-Q194 HydrophobicContact CE1-CG 3.83Å; Y190-Q194 HydrophobicContact CE2-CG 3.85Å; Y190-Q194 HydrophobicContact CG-CG 4.39Å; Y190-Q194 VanDerWaalsContact O-CG 3.28Å; Y190-Q194 WeakPolarHBondContact O-CG 3.45Å; Y190-Q194 PolarHBondContact O-N 2.84Å; Y190-T387 HydrophobicContact CD1-CG2 4.01Å; Y190-T387 HydrophobicContact CE1-CG2 3.95Å; Y190-I436 HydrophobicContact CD2-CD1 4.22Å; Y190-I436 HydrophobicContact CD2-CG2 4.09Å; Y190-I436 HydrophobicContact CE2-CG2 4.5Å; Y190-F446 HydrophobicContact CD1-CB 4.13Å; Y190-F446 HydrophobicContact CD1-CD1 4.18Å; Y190-F446 HydrophobicContact CD2-CB 4.07Å; Y190-F446 HydrophobicContact CD2-CD1 4.35Å; Y190-F446 HydrophobicContact CE1-CB 4.08Å; Y190-F446 HydrophobicContact CE2-CB 4.01Å; Y190-F446 HydrophobicContact CG-CB 4.13Å; Y190-F446 AromaticContact CG-CD1 3.85Å; Y190-F446 HydrophobicContact CG-CD1 3.85Å; Y190-F446 HydrophobicContact CG-CG 4.44Å; Y190-S447 WeakPolarHBondContact OH-CA 3.46Å; Y190-V448 HydrophobicContact CE1-CG2 4.29Å
191T98.8Very high97.9Very high0 Ų025.4 Ų25.40%013%0.125CC..Hα-helixtrans-60.7-41179.3-55.90000112.1G187 V188 I189 F195 L199 V202 I385 T387G187-T191 VanDerWaalsContact O-CB 3.32Å; G187-T191 WeakPolarHBondContact O-CB 3.15Å; G187-T191 PolarHBondContact O-N 3.33Å; G187-T191 PolarHBondContact O-OG1 3.08Å; V188-T191 PolarHBondContact O-N 3.21Å; I189-T191 VanDerWaalsContact C-N 3.33Å; I189-T191 PolarHBondContact O-N 3.31Å; T191-F195 WeakPolarHBondContact O-CB 3.39Å; T191-F195 PolarHBondContact O-N 3.4Å; T191-L199 HydrophobicContact CG2-CD2 3.86Å; T191-V202 HydrophobicContact CG2-CG2 4.2Å; T191-I385 HydrophobicContact CG2-CG2 3.54Å; T191-T387 HydrophobicContact CG2-CG2 4.14Å; T191-T387 PolarHBondContact OG1-OG1 3.23Å
192R98.2Very high97.9Very high54 Ų5425.4 Ų25.420%0.20413%0.125CC..Hα-helixtrans-61.7-48174.1-179.5-15966.7-158-3.9111V188 I189 Y190 Q194 F195 L199 L288V188-R192 WeakPolarHBondContact O-CB 3.3Å; V188-R192 PolarHBondContact O-N 2.64Å; I189-R192 WeakPolarHBondContact O-CB 3.39Å; I189-R192 PolarHBondContact O-N 3.08Å; Y190-R192 VanDerWaalsContact C-N 3.32Å; Y190-R192 PolarHBondContact O-N 3.1Å; R192-Q194 VanDerWaalsContact C-N 3.27Å; R192-Q194 PolarHBondContact O-N 2.84Å; R192-F195 WeakPolarHBondContact O-CB 3.28Å; R192-F195 PolarHBondContact O-N 3.34Å; R192-F195 VanDerWaalsContact O-N 3.11Å; R192-L199 VanDerWaalsContact CA-CD2 3.44Å; R192-L199 HydrophobicContact CB-CD2 3.91Å; R192-L288 VanDerWaalsContact NH1-CD1 3.32Å
193D97.7Very high97.9Very high84 Ų8426.6 Ų26.645%0.44913%0.131SC..Hα-helixtrans-70.9-24.8-173.6-64.5-15.5000112.6I189 Y190I189-D193 WeakPolarHBondContact CG2-OD2 3.12Å; I189-D193 PolarHBondContact O-N 3.12Å; Y190-D193 PolarHBondContact O-N 3.02Å; Y190-D193 VanDerWaalsContact O-N 3.16Å
194Q98.3Very high97.9Very high89 Ų8926.6 Ų26.642%0.41613%0.131SC..Hα-helixtrans-86.2-11.6173.1-61.9-56.6-5300113.6Y190 R192 I385 V448Y190-Q194 HydrophobicContact CD1-CG 4.21Å; Y190-Q194 HydrophobicContact CD2-CG 4.21Å; Y190-Q194 HydrophobicContact CE1-CG 3.83Å; Y190-Q194 HydrophobicContact CE2-CG 3.85Å; Y190-Q194 HydrophobicContact CG-CG 4.39Å; Y190-Q194 VanDerWaalsContact O-CG 3.28Å; Y190-Q194 WeakPolarHBondContact O-CG 3.45Å; Y190-Q194 PolarHBondContact O-N 2.84Å; R192-Q194 VanDerWaalsContact C-N 3.27Å; R192-Q194 PolarHBondContact O-N 2.84Å; Q194-I385 HydrophobicContact CB-CD1 3.66Å; Q194-V448 HydrophobicContact CB-CG2 3.74Å; Q194-V448 HydrophobicContact CG-CG2 3.67Å
195F97.9Very high97.9Very high18 Ų1826.6 Ų26.68%0.07913%0.131CC..  trans-79.2127-176.7-169.5-97000111.5T191 R192 G197 T198 L199 A383 I385T191-F195 WeakPolarHBondContact O-CB 3.39Å; T191-F195 PolarHBondContact O-N 3.4Å; R192-F195 WeakPolarHBondContact O-CB 3.28Å; R192-F195 PolarHBondContact O-N 3.34Å; R192-F195 VanDerWaalsContact O-N 3.11Å; F195-G197 PolarHBondContact O-N 2.9Å; F195-G197 VanDerWaalsContact O-N 3.16Å; F195-T198 WeakPolarHBondContact CE1-O 3.31Å; F195-L199 HydrophobicContact CB-CB 4.08Å; F195-L199 HydrophobicContact CD1-CB 3.95Å; F195-L199 HydrophobicContact CD2-CD1 3.91Å; F195-L199 HydrophobicContact CE2-CD1 4.17Å; F195-L199 HydrophobicContact CG-CB 3.95Å; F195-L199 HydrophobicContact CG-CD1 4.15Å; F195-A383 HydrophobicContact CE1-CB 4.4Å; F195-A383 HydrophobicContact CE2-CB 4.07Å; F195-A383 HydrophobicContact CZ-CB 3.53Å; F195-I385 HydrophobicContact CD2-CB 3.8Å; F195-I385 HydrophobicContact CD2-CG2 3.52Å; F195-I385 HydrophobicContact CE2-CB 4.37Å; F195-I385 HydrophobicContact CE2-CG2 4.19Å
196K95.9Very high97.8Very high178 Ų17827.3 Ų27.377%0.77413%0.134SC*.SBendtrans-82.590.4174.8-62.6-176.5-178.61800110.1
197G94.9Very high97.8Very high22 Ų2228.1 Ų28.123%0.22714%0.139CC..SBendtrans131.2-151.7-175.500000112.9F195 Y370 D372F195-G197 PolarHBondContact O-N 2.9Å; F195-G197 VanDerWaalsContact O-N 3.16Å; G197-Y370 CarbonylContact C-O 3.49Å; G197-Y370 VanDerWaalsContact CA-O 3.26Å; G197-Y370 WeakPolarHBondContact CA-O 3.37Å; G197-D372 WeakPolarHBondContact CA-OD1 3.25Å; G197-D372 PolarHBondContact N-OD1 3.29Å
198T95.7Very high97.6Very high43 Ų4331.9 Ų31.926%0.26416%0.162SC..EExtended strand (participates in β ladder)trans-101.8107.7175.3-56.50000110.5F195 T200 T295 G369 Y370 P376F195-T198 WeakPolarHBondContact CE1-O 3.31Å; T198-T200 HydrophobicContact CG2-CG2 4.05Å; T198-T295 HydrophobicContact CG2-CG2 3.7Å; T198-G369 CarbonylContact O-C 3.39Å; T198-G369 WeakPolarHBondContact O-CA 3.25Å; T198-Y370 PolarHBondContact N-O 3.49Å; T198-Y370 PolarHBondContact O-N 2.76Å; T198-P376 HydrophobicContact CG2-CG 4.01Å
199L97.3Very high97.4Very high5 Ų535.2 Ų35.23%0.02619%0.186CC..EExtended strand (participates in β ladder)trans-72.1130.2170-174.467.7000109.6T191 R192 F195 V202 V297 I385T191-L199 HydrophobicContact CG2-CD2 3.86Å; R192-L199 VanDerWaalsContact CA-CD2 3.44Å; R192-L199 HydrophobicContact CB-CD2 3.91Å; F195-L199 HydrophobicContact CB-CB 4.08Å; F195-L199 HydrophobicContact CD1-CB 3.95Å; F195-L199 HydrophobicContact CD2-CD1 3.91Å; F195-L199 HydrophobicContact CE2-CD1 4.17Å; F195-L199 HydrophobicContact CG-CB 3.95Å; F195-L199 HydrophobicContact CG-CD1 4.15Å; L199-V202 HydrophobicContact CD1-CG2 4.16Å; L199-V202 HydrophobicContact CD2-CG2 3.59Å; L199-V202 HydrophobicContact CG-CG2 4.08Å; L199-V297 HydrophobicContact CB-CG2 4.48Å; L199-V297 HydrophobicContact CD2-CG1 4.28Å; L199-V297 HydrophobicContact CD2-CG2 4.24Å; L199-V297 HydrophobicContact CG-CG1 4.29Å; L199-V297 HydrophobicContact CG-CG2 4.28Å; L199-I385 HydrophobicContact CD1-CG2 4.35Å
200T96.8Very high97.2Very high0 Ų039.8 Ų39.80%021%0.208CC..EExtended strand (participates in β ladder)trans-123.9-22.6-175.157.70000113.9T198 V250 Q298 E368 Y370 P376T198-T200 HydrophobicContact CG2-CG2 4.05Å; T200-V250 HydrophobicContact CG2-CG1 4.12Å; T200-Q298 WeakPolarHBondContact O-CB 3.29Å; T200-Q298 PolarHBondContact O-N 3.07Å; T200-E368 PolarHBondContact N-O 3.07Å; T200-E368 PolarHBondContact OG1-O 3.38Å; T200-Y370 HydrophobicContact CG2-CD2 3.79Å; T200-Y370 HydrophobicContact CG2-CE2 3.87Å; T200-P376 HydrophobicContact CG2-CB 4.25Å
201A97.6Very high96.9Very high6 Ų639.2 Ų39.25%0.0521%0.212CC..EExtended strand (participates in β ladder)trans-146.2145.5178.200000111.3L254 Q298 G367 E368A201-L254 HydrophobicContact CB-CB 4.25Å; A201-L254 HydrophobicContact CB-CD1 4.21Å; A201-Q298 CarbonylContact C-O 3.45Å; A201-Q298 WeakPolarHBondContact CA-O 3.39Å; A201-Q298 HydrophobicContact CB-CB 4.24Å; A201-G367 CarbonylContact O-C 3.57Å; A201-G367 WeakPolarHBondContact O-CA 3.31Å; A201-E368 PolarHBondContact N-O 3.01Å; A201-E368 PolarHBondContact O-N 3.32Å
202V98.4Very high96.6Very high0 Ų045.6 Ų45.60%025%0.253CS..EExtended strand (participates in β ladder)trans-139.8129.7177.2169.30000109.3V188 T191 L199 V297 Q298 Y299 G300 F365 Y366V188-V202 HydrophobicContact CG2-CG1 4.28Å; T191-V202 HydrophobicContact CG2-CG2 4.2Å; L199-V202 HydrophobicContact CD1-CG2 4.16Å; L199-V202 HydrophobicContact CD2-CG2 3.59Å; L199-V202 HydrophobicContact CG-CG2 4.08Å; V202-V297 HydrophobicContact CB-CG1 3.98Å; V202-V297 HydrophobicContact CG2-CG1 3.57Å; V202-Q298 PolarHBondContact N-O 2.9Å; V202-Y299 HydrophobicContact CB-CD2 4.4Å; V202-Y299 HydrophobicContact CG1-CD2 4.11Å; V202-Y299 HydrophobicContact CG1-CE2 4.31Å; V202-Y299 WeakPolarHBondContact O-CA 3.19Å; V202-G300 PolarHBondContact O-N 2.95Å; V202-F365 HydrophobicContact CG1-CB 4.37Å; V202-F365 HydrophobicContact CG1-CD1 3.6Å; V202-F365 HydrophobicContact CG1-CE1 4.45Å; V202-F365 HydrophobicContact CG1-CG 4.48Å; V202-Y366 WeakPolarHBondContact CA-O 3.34Å
203E98.3Very high96.3Very high25 Ų2547.3 Ų47.312%0.11726%0.264CS..EExtended strand (participates in β ladder)trans-105.9132.7162.5-63.8-167.8112.400110F205 L254 R257 G300 Y302 F365 Y366E203-F205 HydrophobicContact CB-CE2 3.99Å; E203-L254 HydrophobicContact CG-CD1 3.82Å; E203-L254 HydrophobicContact CG-CD2 4.35Å; E203-R257 IonicContact OE1-NE 3.25Å; E203-R257 PolarHBondContact OE1-NE 2.91Å; E203-R257 IonicContact OE2-CZ 3.87Å; E203-R257 VanDerWaalsContact OE2-CZ 3.3Å; E203-R257 IonicContact OE2-NE 2.84Å; E203-R257 PolarHBondContact OE2-NE 3.11Å; E203-R257 IonicContact OE2-NH2 3.82Å; E203-R257 PolarHBondContact OE2-NH2 2.92Å; E203-G300 CarbonylContact C-O 3.59Å; E203-G300 VanDerWaalsContact CA-O 3.23Å; E203-G300 WeakPolarHBondContact CA-O 3.33Å; E203-Y302 HydrophobicContact CB-CD2 4.48Å; E203-Y302 HydrophobicContact CB-CE2 4.05Å; E203-Y302 HydrophobicContact CG-CE2 3.98Å; E203-Y302 WeakPolarHBondContact OE1-CE2 3.31Å; E203-Y302 PolarHBondContact OE1-OH 3.39Å; E203-F365 CarbonylContact O-C 3.07Å; E203-F365 WeakPolarHBondContact O-CA 3.47Å; E203-Y366 PolarHBondContact N-O 2.73Å; E203-Y366 PolarHBondContact O-N 3.33Å
204S98.4Very high96Very high0 Ų044.6 Ų44.60%026%0.255CS..EExtended strand (participates in β ladder)trans-112.2145.5173.467.80000111.5Y299 G300 Y302 S364S204-Y299 WeakPolarHBondContact OG-CE2 3.48Å; S204-Y299 VanDerWaalsContact OG-CZ 3.26Å; S204-Y299 PolarHBondContact OG-OH 3.49Å; S204-G300 PolarHBondContact N-O 3.07Å; S204-Y302 WeakPolarHBondContact O-CD2 3.44Å; S204-Y302 PolarHBondContact O-N 2.71Å; S204-S364 CarbonylContact C-O 3.57Å; S204-S364 WeakPolarHBondContact CA-O 3.28Å
205F98.3Very high95.6Very high0 Ų041.4 Ų41.40%025%0.246CC..EExtended strand (participates in β ladder)trans-128.2112.4176.7-64-93.9000109.5E203 F261 S263 E265 I266 A270 Y302 F363 S364 Y366E203-F205 HydrophobicContact CB-CE2 3.99Å; F205-F261 AromaticContact CE1-CE2 3.98Å; F205-F261 HydrophobicContact CE1-CE2 3.98Å; F205-F261 AromaticContact CE1-CZ 3.97Å; F205-F261 HydrophobicContact CE1-CZ 3.97Å; F205-S263 WeakPolarHBondContact CE1-OG 3.04Å; F205-E265 HydrophobicContact CE2-CB 4.35Å; F205-E265 HydrophobicContact CE2-CG 4.37Å; F205-I266 HydrophobicContact CB-CD1 4.3Å; F205-I266 HydrophobicContact CB-CG2 3.61Å; F205-I266 HydrophobicContact CD1-CD1 4.05Å; F205-I266 HydrophobicContact CD1-CG1 4.28Å; F205-I266 HydrophobicContact CD1-CG2 4.43Å; F205-I266 HydrophobicContact CG-CG2 4.02Å; F205-A270 HydrophobicContact CD1-CB 4.45Å; F205-A270 HydrophobicContact CE1-CB 4.5Å; F205-Y302 CarbonylContact C-O 3.36Å; F205-Y302 WeakPolarHBondContact CA-O 3.38Å; F205-Y302 HydrophobicContact CD1-CD2 4.39Å; F205-Y302 HydrophobicContact CD1-CG 4.46Å; F205-Y302 AromaticContact CE1-CD2 3.88Å; F205-Y302 HydrophobicContact CE1-CD2 3.88Å; F205-Y302 HydrophobicContact CE1-CG 4.08Å; F205-Y302 HydrophobicContact CE2-CD2 4.42Å; F205-Y302 AromaticContact CZ-CD2 3.89Å; F205-Y302 HydrophobicContact CZ-CD2 3.89Å; F205-Y302 HydrophobicContact CZ-CE2 4.44Å; F205-F363 WeakPolarHBondContact O-CA 3.33Å; F205-S364 PolarHBondContact N-O 3.3Å; F205-S364 PolarHBondContact O-N 2.91Å; F205-Y366 AromaticContact CD2-CD2 3.66Å; F205-Y366 HydrophobicContact CD2-CD2 3.66Å; F205-Y366 AromaticContact CD2-CE2 3.72Å; F205-Y366 HydrophobicContact CD2-CE2 3.72Å; F205-Y366 AromaticContact CE2-CD2 3.74Å; F205-Y366 HydrophobicContact CE2-CD2 3.74Å; F205-Y366 HydrophobicContact CE2-CE2 4.08Å
206L98Very high95.4Very high14 Ų1441.2 Ų41.27%0.07325%0.247CC..EExtended strand (participates in β ladder)trans-84.4125.6170.8172.857000110.1F179 V208 F273 Y302 A303 G304 F361 R362 F363F179-L206 HydrophobicContact CE1-CD2 4.25Å; F179-L206 HydrophobicContact CZ-CD1 3.77Å; F179-L206 HydrophobicContact CZ-CD2 4.03Å; L206-V208 HydrophobicContact CD1-CG2 4.31Å; L206-F273 HydrophobicContact CD2-CE2 4.12Å; L206-Y302 PolarHBondContact N-O 2.81Å; L206-A303 CarbonylContact O-C 3.55Å; L206-A303 WeakPolarHBondContact O-CA 3.29Å; L206-G304 PolarHBondContact O-N 3.3Å; L206-F361 HydrophobicContact CD1-CB 4.23Å; L206-R362 CarbonylContact C-O 3.4Å; L206-R362 WeakPolarHBondContact CA-O 3.31Å; L206-F363 HydrophobicContact CB-CD1 4.07Å; L206-F363 HydrophobicContact CB-CE1 3.7Å; L206-F363 HydrophobicContact CB-CE2 4.4Å; L206-F363 HydrophobicContact CB-CZ 3.88Å; L206-F363 HydrophobicContact CD1-CD2 3.94Å; L206-F363 HydrophobicContact CD1-CE2 3.74Å; L206-F363 HydrophobicContact CD1-CG 4.42Å; L206-F363 HydrophobicContact CD1-CZ 4.07Å; L206-F363 HydrophobicContact CD2-CE2 4.38Å; L206-F363 HydrophobicContact CD2-CZ 4.06Å; L206-F363 HydrophobicContact CG-CE2 4.38Å; L206-F363 HydrophobicContact CG-CZ 4.21Å
207T97.2Very high95.3Very high18 Ų1835.3 Ų35.311%0.1122%0.223CC..EExtended strand (participates in β ladder)trans-124.3148163.959.90000110.3I266 R362T207-I266 HydrophobicContact CG2-CB 4.35Å; T207-I266 HydrophobicContact CG2-CD1 3.77Å; T207-I266 HydrophobicContact CG2-CG2 4.47Å; T207-R362 PolarHBondContact N-O 2.96Å; T207-R362 PolarHBondContact O-N 3.37Å
208V95.2Very high95.4Very high79 Ų7936 Ų3648%0.47922%0.22SC..EExtended strand (participates in β ladder)trans-121131178.9179.10000108.2L206 M210L206-V208 HydrophobicContact CD1-CG2 4.31Å; V208-M210 HydrophobicContact CG1-CE 4.29Å; V208-M210 HydrophobicContact CG1-CG 4.35Å
209S94.9Very high95.2Very high71 Ų7134.8 Ų34.850%0.49721%0.212SC..EExtended strand (participates in β ladder)trans-103.2132.6171.3-170.40000108.7S359 S360S209-S359 CarbonylContact O-C 3.53Å; S209-S359 VanDerWaalsContact O-CA 3.27Å; S209-S359 WeakPolarHBondContact O-CA 3.26Å; S209-S360 PolarHBondContact N-O 3.16Å; S209-S360 PolarHBondContact O-N 2.75Å
210M93.8Very high94.9Very high98 Ų9835.7 Ų35.748%0.48322%0.223SC..  trans-115.9140.2177.7-63.7175.6-177.800109V208 G215V208-M210 HydrophobicContact CG1-CE 4.29Å; V208-M210 HydrophobicContact CG1-CG 4.35Å; M210-G215 PolarHBondContact SD-N 3.34Å
211G92.6Very high94.6Very high19 Ų1938.8 Ų38.820%0.19624%0.242CC..  trans-72.9-177.5175.700000112.8E213 G214 G358G211-E213 PolarHBondContact O-N 3.2Å; G211-E213 VanDerWaalsContact O-N 3.14Å; G211-G214 PolarHBondContact O-N 3.19Å; G211-G358 VanDerWaalsContact CA-O 3.28Å; G211-G358 WeakPolarHBondContact CA-O 3.35Å; G211-G358 PolarHBondContact N-O 3.22Å
212P93.4Very high94.3Very high135 Ų13539.5 Ų39.588%0.87724%0.244SC*.THydrogen-bonded Turntrans-62.1-22.7-178.825.3-34.7000113.9G214P212-G214 PolarHBondContact O-N 3.17Å
213E92.3Very high94Very high90 Ų9041.7 Ų41.742%0.42125%0.254SS..THydrogen-bonded Turntrans-79.90.8175.6-55.8-61.4150.100113.3G211 K354 Q355G211-E213 PolarHBondContact O-N 3.2Å; G211-E213 VanDerWaalsContact O-N 3.14Å; E213-K354 HydrophobicContact CG-CB 4.41Å; E213-K354 HydrophobicContact CG-CD 3.65Å; E213-K354 HydrophobicContact CG-CG 3.81Å; E213-K354 VanDerWaalsContact OE1-CE 3.22Å; E213-K354 WeakPolarHBondContact OE1-CE 3.36Å; E213-K354 IonicContact OE1-NZ 3.82Å; E213-K354 PolarHBondContact OE1-NZ 2.91Å; E213-Q355 HydrophobicContact CB-CG 3.67Å; E213-Q355 WeakPolarHBondContact O-CG 3.33Å; E213-Q355 PolarHBondContact O-NE2 3.37Å
214G91.2Very high93.6Very high27 Ų2741.7 Ų41.728%0.27826%0.257SS..  trans71.3-167.4-172.800000113G211 P212G211-G214 PolarHBondContact O-N 3.19Å; P212-G214 PolarHBondContact O-N 3.17Å
215G90.7Very high93.2Very high21 Ų2143.4 Ų43.422%0.21627%0.271CS..  trans-126.2155.4175.500000111M210M210-G215 PolarHBondContact SD-N 3.34Å
216C93.3Very high92.9Very high14 Ų1443.4 Ų43.410%0.09527%0.271CS..  trans-148.9148.9176.4-170.60000109.5M345 S347 P351C216-M345 CarbonylContact C-O 3.58Å; C216-M345 WeakPolarHBondContact CA-O 3.4Å; C216-S347 PolarHBondContact SG-OG 3.38Å; C216-P351 HydrophobicContact CB-CB 4.03Å; C216-P351 WeakPolarHBondContact O-CB 3.44Å; C216-P351 WeakPolarHBondContact O-CD 3.34Å; C216-P351 WeakPolarHBondContact O-CG 3.43Å
217I93.9Very high92.6Very high55 Ų5545 Ų4528%0.28228%0.276SS..EExtended strand (participates in β ladder)trans-122.2141176.3-55.8173.4000107.8T221 M345 F346 S347I217-T221 HydrophobicContact CG2-CG2 4.15Å; I217-M345 PolarHBondContact N-O 3.48Å; I217-F346 HydrophobicContact CB-CD1 3.62Å; I217-F346 HydrophobicContact CB-CE1 3.65Å; I217-F346 HydrophobicContact CB-CG 4.47Å; I217-F346 HydrophobicContact CB-CZ 4.5Å; I217-F346 HydrophobicContact CD1-CE1 3.95Å; I217-F346 HydrophobicContact CD1-CZ 4.06Å; I217-F346 HydrophobicContact CG1-CE1 4.38Å; I217-F346 HydrophobicContact CG2-CD1 3.77Å; I217-F346 HydrophobicContact CG2-CE1 3.57Å; I217-F346 CarbonylContact O-C 3.57Å; I217-F346 WeakPolarHBondContact O-CA 3.43Å; I217-S347 PolarHBondContact O-N 2.61Å
218H95.6Very high92.1Very high36 Ų3646 Ų4617%0.16729%0.29CS..EExtended strand (participates in β ladder)trans-64.8145.9175.5-173.7-95.2000111.7F44 G220 T221 S347 K348 Y396F44-H218 HydrophobicContact CB-CB 4.44Å; F44-H218 HydrophobicContact CD1-CB 3.49Å; F44-H218 VanDerWaalsContact CD1-CB 3.49Å; F44-H218 AromaticContact CD1-CD2 3.75Å; F44-H218 AromaticContact CD1-CG 3.63Å; F44-H218 AromaticContact CD2-CD2 3.42Å; F44-H218 VanDerWaalsContact CD2-CD2 3.42Å; F44-H218 WeakPolarHBondContact CD2-CD2 3.49Å; F44-H218 AromaticContact CD2-NE2 3.94Å; F44-H218 HydrophobicContact CE1-CB 3.88Å; F44-H218 HydrophobicContact CG-CB 3.94Å; F44-H218 AromaticContact CG-CD2 3.23Å; F44-H218 WeakPolarHBondContact CG-CD2 3.35Å; F44-H218 AromaticContact CG-CG 3.52Å; F44-H218 AromaticContact CG-NE2 3.78Å; H218-G220 PolarHBondContact ND1-N 3.39Å; H218-G220 VanDerWaalsContact ND1-N 3.19Å; H218-G220 PolarHBondContact O-N 3.33Å; H218-T221 PolarHBondContact O-N 3.13Å; H218-T221 VanDerWaalsContact O-N 3.15Å; H218-S347 CarbonylContact C-O 3.59Å; H218-S347 WeakPolarHBondContact CA-O 3.39Å; H218-K348 PolarHBondContact CD2-O 3.38Å; H218-K348 PolarHBondContact NE2-O 3.01Å; H218-Y396 HydrophobicContact CB-CE1 4.3Å; H218-Y396 WeakPolarHBondContact CB-OH 3.15Å; H218-Y396 PolarHBondContact N-OH 2.92Å
219D93.1Very high91.6Very high17 Ų1746.7 Ų46.79%0.09129%0.287CS..Hα-helixtrans-61.7-19.4-174.682.5-40.3000114T221 W222 Q223 P338 S347 K348D219-T221 VanDerWaalsContact C-N 3.27Å; D219-T221 PolarHBondContact O-N 2.79Å; D219-W222 CarbonylContact O-C 3.56Å; D219-W222 WeakPolarHBondContact O-CA 3.47Å; D219-W222 VanDerWaalsContact O-CB 3.25Å; D219-W222 WeakPolarHBondContact O-CB 3.48Å; D219-W222 PolarHBondContact O-N 3.16Å; D219-Q223 WeakPolarHBondContact O-CG 3.39Å; D219-Q223 PolarHBondContact O-N 3.16Å; D219-Q223 PolarHBondContact OD2-NE2 3.11Å; D219-P338 HydrophobicContact CB-CB 4.28Å; D219-P338 HydrophobicContact CB-CG 4.11Å; D219-S347 PolarHBondContact N-O 3.17Å; D219-K348 HydrophobicContact CB-CG 4.25Å
220G89.7Confident91.2Very high25 Ų2545.2 Ų45.226%0.25828%0.279SS..Hα-helixtrans-50.8-46.1171.300000112.6H218 W222 Q223 S224H218-G220 PolarHBondContact ND1-N 3.39Å; H218-G220 VanDerWaalsContact ND1-N 3.19Å; H218-G220 PolarHBondContact O-N 3.33Å; G220-W222 VanDerWaalsContact C-N 3.33Å; G220-W222 PolarHBondContact O-N 3.25Å; G220-Q223 PolarHBondContact O-N 2.93Å; G220-S224 PolarHBondContact O-N 3.37Å; G220-S224 PolarHBondContact O-OG 3.19Å
221T90.1Very high90.7Very high65 Ų6541.9 Ų41.940%0.39926%0.263SS..Hα-helixtrans-66.9-36.4176.9-53.80000111.6I217 H218 D219 S224 A225 F346I217-T221 HydrophobicContact CG2-CG2 4.15Å; H218-T221 PolarHBondContact O-N 3.13Å; H218-T221 VanDerWaalsContact O-N 3.15Å; D219-T221 VanDerWaalsContact C-N 3.27Å; D219-T221 PolarHBondContact O-N 2.79Å; T221-S224 PolarHBondContact O-N 3.39Å; T221-A225 PolarHBondContact O-N 2.95Å; T221-F346 HydrophobicContact CG2-CE1 4.04Å
222W92.3Very high90.2Very high21 Ų2144.4 Ų44.48%0.0828%0.277CS..Hα-helixtrans-62.8-44.7175-177.7-116.1000111.8D219 G220 A225 I226 F321 L334 P338 F341 F346D219-W222 CarbonylContact O-C 3.56Å; D219-W222 WeakPolarHBondContact O-CA 3.47Å; D219-W222 VanDerWaalsContact O-CB 3.25Å; D219-W222 WeakPolarHBondContact O-CB 3.48Å; D219-W222 PolarHBondContact O-N 3.16Å; G220-W222 VanDerWaalsContact C-N 3.33Å; G220-W222 PolarHBondContact O-N 3.25Å; W222-A225 WeakPolarHBondContact O-CB 3.45Å; W222-A225 PolarHBondContact O-N 2.9Å; W222-I226 HydrophobicContact CD2-CD1 4.46Å; W222-I226 HydrophobicContact CG-CD1 4.22Å; W222-I226 VanDerWaalsContact O-CG1 3.3Å; W222-I226 WeakPolarHBondContact O-CG1 3.3Å; W222-I226 PolarHBondContact O-N 3.36Å; W222-F321 AromaticContact CH2-CD2 3.46Å; W222-F321 HydrophobicContact CH2-CD2 3.46Å; W222-F321 VanDerWaalsContact CH2-CD2 3.46Å; W222-F321 AromaticContact CH2-CE2 3.84Å; W222-F321 HydrophobicContact CH2-CE2 3.84Å; W222-F321 AromaticContact CZ2-CD2 3.81Å; W222-F321 HydrophobicContact CZ2-CD2 3.81Å; W222-F321 HydrophobicContact CZ2-CE2 4.07Å; W222-F321 HydrophobicContact CZ3-CD2 4.07Å; W222-F321 HydrophobicContact CZ3-CE2 4.09Å; W222-L334 HydrophobicContact CZ2-CD2 4.02Å; W222-L334 PolarHBondContact NE1-O 2.97Å; W222-P338 HydrophobicContact CG-CB 4.35Å; W222-F341 HydrophobicContact CZ2-CB 4.03Å; W222-F346 HydrophobicContact CB-CB 4Å; W222-F346 HydrophobicContact CB-CD1 3.67Å; W222-F346 HydrophobicContact CB-CE1 4.26Å; W222-F346 HydrophobicContact CB-CG 3.81Å; W222-F346 HydrophobicContact CD2-CB 4.44Å; W222-F346 HydrophobicContact CD2-CD2 4.12Å; W222-F346 HydrophobicContact CD2-CG 4.21Å; W222-F346 HydrophobicContact CE3-CD1 4.43Å; W222-F346 AromaticContact CE3-CD2 3.41Å; W222-F346 HydrophobicContact CE3-CD2 3.41Å; W222-F346 VanDerWaalsContact CE3-CD2 3.41Å; W222-F346 AromaticContact CE3-CE2 3.56Å; W222-F346 HydrophobicContact CE3-CE2 3.56Å; W222-F346 AromaticContact CE3-CG 3.89Å; W222-F346 HydrophobicContact CE3-CG 3.89Å; W222-F346 HydrophobicContact CE3-CZ 4.13Å; W222-F346 HydrophobicContact CG-CB 4.25Å; W222-F346 HydrophobicContact CG-CG 4.24Å; W222-F346 AromaticContact CZ3-CD2 3.89Å; W222-F346 HydrophobicContact CZ3-CD2 3.89Å; W222-F346 AromaticContact CZ3-CE2 3.9Å; W222-F346 HydrophobicContact CZ3-CE2 3.9Å
223Q92.1Very high89.6Confident45 Ų4545.5 Ų45.521%0.2127%0.271CS..Hα-helixtrans-62.2-44.6176-65.8-177.732.900111.1P126 D219 G220 A225 I226 Y227 I335P126-Q223 HydrophobicContact CG-CB 4.16Å; D219-Q223 WeakPolarHBondContact O-CG 3.39Å; D219-Q223 PolarHBondContact O-N 3.16Å; D219-Q223 PolarHBondContact OD2-NE2 3.11Å; G220-Q223 PolarHBondContact O-N 2.93Å; Q223-A225 VanDerWaalsContact C-N 3.3Å; Q223-A225 PolarHBondContact O-N 2.75Å; Q223-I226 PolarHBondContact O-N 2.77Å; Q223-Y227 HydrophobicContact CB-CD2 4.46Å; Q223-Y227 WeakPolarHBondContact O-CB 3.19Å; Q223-Y227 WeakPolarHBondContact O-CD2 3.49Å; Q223-Y227 PolarHBondContact O-N 2.9Å; Q223-I335 HydrophobicContact CG-CG1 4.34Å; Q223-I335 HydrophobicContact CG-CG2 4.4Å
224S89.3Confident89.3Confident26 Ų2645 Ų4518%0.18227%0.271CS..Hα-helixtrans-56.8-43173.8-67.70000112E151 G220 T221 G228E151-S224 VanDerWaalsContact OE1-CB 3.26Å; E151-S224 WeakPolarHBondContact OE1-CB 3.13Å; E151-S224 PolarHBondContact OE1-OG 3.31Å; G220-S224 PolarHBondContact O-N 3.37Å; G220-S224 PolarHBondContact O-OG 3.19Å; T221-S224 PolarHBondContact O-N 3.39Å; S224-G228 PolarHBondContact O-N 3.49Å
225A90.4Very high89.1Confident35 Ų3545.1 Ų45.129%0.28927%0.265SS..Hα-helixtrans-63-51.5175.300000112T221 W222 Q223 Y227 G228 F229T221-A225 PolarHBondContact O-N 2.95Å; W222-A225 WeakPolarHBondContact O-CB 3.45Å; W222-A225 PolarHBondContact O-N 2.9Å; Q223-A225 VanDerWaalsContact C-N 3.3Å; Q223-A225 PolarHBondContact O-N 2.75Å; A225-Y227 VanDerWaalsContact C-N 3.28Å; A225-Y227 PolarHBondContact O-N 3.39Å; A225-G228 PolarHBondContact O-N 2.83Å; A225-F229 VanDerWaalsContact O-CD2 3.29Å; A225-F229 WeakPolarHBondContact O-CD2 3.42Å; A225-F229 PolarHBondContact O-N 3.02Å
226I91.8Very high88.9Confident0 Ų049.3 Ų49.30%028%0.279CS..Hα-helixtrans-51.1-51.2177.8-70.1168.2000110.7W222 Q223 A230 F321 V325 R331 L334 I335W222-I226 HydrophobicContact CD2-CD1 4.46Å; W222-I226 HydrophobicContact CG-CD1 4.22Å; W222-I226 VanDerWaalsContact O-CG1 3.3Å; W222-I226 WeakPolarHBondContact O-CG1 3.3Å; W222-I226 PolarHBondContact O-N 3.36Å; Q223-I226 PolarHBondContact O-N 2.77Å; I226-A230 VanDerWaalsContact O-CB 3.32Å; I226-A230 WeakPolarHBondContact O-CB 3.45Å; I226-A230 PolarHBondContact O-N 3.03Å; I226-F321 HydrophobicContact CG1-CE2 3.61Å; I226-F321 HydrophobicContact CG1-CZ 4.08Å; I226-V325 HydrophobicContact CG2-CG2 4.14Å; I226-V325 WeakPolarHBondContact O-CG2 3.46Å; I226-R331 HydrophobicContact CG2-CB 4.02Å; I226-R331 HydrophobicContact CG2-CG 3.77Å; I226-L334 HydrophobicContact CD1-CB 3.52Å; I226-L334 HydrophobicContact CD1-CD1 4.39Å; I226-L334 HydrophobicContact CG1-CB 4.22Å; I226-L334 HydrophobicContact CG1-CD1 4.19Å; I226-I335 HydrophobicContact CD1-CG1 3.67Å
227Y91.1Very high88.8Confident47 Ų4751 Ų5118%0.18429%0.292CS..Hα-helixtrans-74.7-32.8-175.6-76.7-59.5000113R128 F129 Q223 A225 D231 I335R128-Y227 PolarHBondContact NH1-O 2.91Å; F129-Y227 HydrophobicContact CE2-CD1 4.12Å; F129-Y227 AromaticContact CE2-CD2 3.6Å; F129-Y227 HydrophobicContact CE2-CD2 3.6Å; F129-Y227 HydrophobicContact CE2-CE1 4.29Å; F129-Y227 AromaticContact CE2-CE2 3.8Å; F129-Y227 HydrophobicContact CE2-CE2 3.8Å; F129-Y227 AromaticContact CE2-CG 3.78Å; F129-Y227 HydrophobicContact CE2-CG 3.78Å; F129-Y227 AromaticContact CZ-CD1 3.71Å; F129-Y227 HydrophobicContact CZ-CD1 3.71Å; F129-Y227 HydrophobicContact CZ-CD2 4.07Å; F129-Y227 AromaticContact CZ-CE1 3.94Å; F129-Y227 HydrophobicContact CZ-CE1 3.94Å; F129-Y227 HydrophobicContact CZ-CE2 4.29Å; F129-Y227 AromaticContact CZ-CG 3.79Å; F129-Y227 HydrophobicContact CZ-CG 3.79Å; Q223-Y227 HydrophobicContact CB-CD2 4.46Å; Q223-Y227 WeakPolarHBondContact O-CB 3.19Å; Q223-Y227 WeakPolarHBondContact O-CD2 3.49Å; Q223-Y227 PolarHBondContact O-N 2.9Å; A225-Y227 VanDerWaalsContact C-N 3.28Å; A225-Y227 PolarHBondContact O-N 3.39Å; Y227-D231 WeakPolarHBondContact O-CB 3.49Å; Y227-D231 PolarHBondContact O-N 2.82Å; Y227-I335 HydrophobicContact CE2-CD1 3.84Å; Y227-I335 WeakPolarHBondContact OH-CD1 3.39Å
228G86.8Confident88.7Confident39 Ų3949.3 Ų49.340%0.40228%0.283SS..Hα-helixtrans-64.7-45173.900000112.3S224 A225 D231 S232S224-G228 PolarHBondContact O-N 3.49Å; A225-G228 PolarHBondContact O-N 2.83Å; G228-D231 PolarHBondContact O-N 2.96Å; G228-S232 PolarHBondContact O-N 3.23Å
229F86.4Confident88.6Confident95 Ų9553 Ų5342%0.41730%0.295SS..Hα-helixtrans-65.5-42.5175.8-86.4-81.8000112.1A225 D231 S232 M274 F321 V325A225-F229 VanDerWaalsContact O-CD2 3.29Å; A225-F229 WeakPolarHBondContact O-CD2 3.42Å; A225-F229 PolarHBondContact O-N 3.02Å; F229-D231 PolarHBondContact O-N 2.81Å; F229-S232 PolarHBondContact O-N 2.98Å; F229-S232 PolarHBondContact O-OG 3.37Å; F229-M274 HydrophobicContact CE1-SD 4.31Å; F229-M274 HydrophobicContact CZ-SD 3.92Å; F229-F321 HydrophobicContact CB-CE1 4.06Å; F229-F321 HydrophobicContact CB-CZ 4.49Å; F229-F321 AromaticContact CD2-CE1 3.67Å; F229-F321 HydrophobicContact CD2-CE1 3.67Å; F229-F321 HydrophobicContact CD2-CZ 4Å; F229-F321 HydrophobicContact CE2-CE1 4.26Å; F229-F321 AromaticContact CG-CE1 3.85Å; F229-F321 HydrophobicContact CG-CE1 3.85Å; F229-F321 HydrophobicContact CG-CZ 4.46Å; F229-V325 HydrophobicContact CB-CG2 4.09Å
230A85.7Confident88.5Confident40 Ų4060.5 Ų60.533%0.33132%0.322SS..Hα-helixtrans-60.7-23.4176.800000113.2I226 V325I226-A230 VanDerWaalsContact O-CB 3.32Å; I226-A230 WeakPolarHBondContact O-CB 3.45Å; I226-A230 PolarHBondContact O-N 3.03Å; A230-V325 HydrophobicContact CB-CG2 4.14Å
231D84.1Confident88.7Confident27 Ų2766.4 Ų66.414%0.14434%0.341CS..THydrogen-bonded Turntrans-113.714.3-173.1-147.160.7000115.2R128 Q153 Y227 G228 F229 Q233 N234 L235R128-D231 IonicContact CZ-OD2 2.75Å; R128-D231 VanDerWaalsContact NH2-CB 3.28Å; R128-D231 IonicContact NH2-OD1 3.03Å; R128-D231 PolarHBondContact NH2-OD1 3.02Å; R128-D231 IonicContact NH2-OD2 3.04Å; R128-D231 PolarHBondContact NH2-OD2 3.4Å; Q153-D231 PolarHBondContact NE2-OD2 2.95Å; Q153-D231 PolarHBondContact OE1-OD2 2.85Å; Y227-D231 WeakPolarHBondContact O-CB 3.49Å; Y227-D231 PolarHBondContact O-N 2.82Å; G228-D231 PolarHBondContact O-N 2.96Å; F229-D231 PolarHBondContact O-N 2.81Å; D231-Q233 PolarHBondContact O-N 3.33Å; D231-N234 WeakPolarHBondContact O-CB 3.28Å; D231-N234 PolarHBondContact O-N 2.91Å; D231-N234 PolarHBondContact OD1-ND2 3.09Å; D231-N234 WeakPolarHBondContact OD2-CB 3.31Å; D231-N234 PolarHBondContact OD2-ND2 3.42Å; D231-N234 VanDerWaalsContact OD2-ND2 3.16Å; D231-L235 PolarHBondContact O-N 2.79Å
232S80.7Confident88.8Confident72 Ų7265 Ų6550%0.50333%0.329SS..Hα-helixtrans-53-31.6-175.554.30000114.9G228 F229 L235 Q236G228-S232 PolarHBondContact O-N 3.23Å; F229-S232 PolarHBondContact O-N 2.98Å; F229-S232 PolarHBondContact O-OG 3.37Å; S232-L235 PolarHBondContact O-N 3.1Å; S232-Q236 PolarHBondContact O-N 3.38Å
233Q82.2Confident88.6Confident158 Ų15871.1 Ų71.174%0.73836%0.364SS*.Hα-helixtrans-66.6-37.1176.6-66.5-178.1-0.300112.7D231 Q236 S237D231-Q233 PolarHBondContact O-N 3.33Å; Q233-Q236 WeakPolarHBondContact O-CB 3.25Å; Q233-Q236 PolarHBondContact O-N 2.96Å; Q233-S237 PolarHBondContact O-N 2.83Å
234N84.7Confident88.4Confident79 Ų7973.1 Ų73.142%0.42237%0.373SS..Hα-helixtrans-71.1-32178.6-76-29.3000112D231 Q236 S237 L238D231-N234 WeakPolarHBondContact O-CB 3.28Å; D231-N234 PolarHBondContact O-N 2.91Å; D231-N234 PolarHBondContact OD1-ND2 3.09Å; D231-N234 WeakPolarHBondContact OD2-CB 3.31Å; D231-N234 PolarHBondContact OD2-ND2 3.42Å; D231-N234 VanDerWaalsContact OD2-ND2 3.16Å; N234-Q236 VanDerWaalsContact C-N 3.31Å; N234-Q236 PolarHBondContact O-N 2.77Å; N234-S237 WeakPolarHBondContact CA-OG 3.23Å; N234-S237 PolarHBondContact O-N 3.49Å; N234-S237 PolarHBondContact O-OG 3.38Å; N234-L238 VanDerWaalsContact O-CB 3.26Å; N234-L238 WeakPolarHBondContact O-CB 3.12Å; N234-L238 PolarHBondContact O-N 2.74Å
235L86.6Confident88.4Confident30 Ų3080.3 Ų80.316%0.15740%0.401CS..Hα-helixtrans-63.1-39.7170.417860.2000111.5P152 Q153 D231 S232 L238 R239P152-L235 HydrophobicContact CB-CD1 4.11Å; P152-L235 HydrophobicContact CB-CD2 3.93Å; Q153-L235 HydrophobicContact CB-CD1 4.35Å; D231-L235 PolarHBondContact O-N 2.79Å; S232-L235 PolarHBondContact O-N 3.1Å; L235-L238 HydrophobicContact CD1-CD2 4.46Å; L235-R239 WeakPolarHBondContact O-CG 3.49Å; L235-R239 PolarHBondContact O-N 2.79Å
236Q87.5Confident88.3Confident109 Ų10984.2 Ų84.251%0.50942%0.423SS..Hα-helixtrans-65.9-42176-167.8-175.420.200111.7S232 Q233 N234 R239 R240S232-Q236 PolarHBondContact O-N 3.38Å; Q233-Q236 WeakPolarHBondContact O-CB 3.25Å; Q233-Q236 PolarHBondContact O-N 2.96Å; N234-Q236 VanDerWaalsContact C-N 3.31Å; N234-Q236 PolarHBondContact O-N 2.77Å; Q236-R239 PolarHBondContact O-N 2.92Å; Q236-R240 WeakPolarHBondContact O-CG 3.43Å; Q236-R240 PolarHBondContact O-N 3.44Å
237S91.3Very high88.3Confident51 Ų5185.8 Ų85.836%0.35743%0.432SS..Hα-helixtrans-66-40.717872.80000111.6Q233 N234 R239 R240 K241Q233-S237 PolarHBondContact O-N 2.83Å; N234-S237 WeakPolarHBondContact CA-OG 3.23Å; N234-S237 PolarHBondContact O-N 3.49Å; N234-S237 PolarHBondContact O-OG 3.38Å; S237-R239 PolarHBondContact O-N 3.35Å; S237-R240 PolarHBondContact O-N 3.26Å; S237-K241 PolarHBondContact O-N 3.18Å
238L92.1Very high88.3Confident18 Ų1887.6 Ų87.69%0.09445%0.449CS..Hα-helixtrans-57.1-48.9173.6178.466.4000111.8Q153 E156 L160 N234 L235 R240 K241 F242Q153-L238 HydrophobicContact CG-CD2 4.41Å; Q153-L238 WeakPolarHBondContact O-CD2 3.41Å; E156-L238 HydrophobicContact CB-CD2 3.8Å; L160-L238 HydrophobicContact CB-CD1 4.45Å; L160-L238 HydrophobicContact CD2-CD1 3.5Å; N234-L238 VanDerWaalsContact O-CB 3.26Å; N234-L238 WeakPolarHBondContact O-CB 3.12Å; N234-L238 PolarHBondContact O-N 2.74Å; L235-L238 HydrophobicContact CD1-CD2 4.46Å; L238-R240 PolarHBondContact O-N 2.82Å; L238-K241 WeakPolarHBondContact O-CB 3.37Å; L238-K241 PolarHBondContact O-N 3.43Å; L238-F242 HydrophobicContact CG-CE2 4.46Å
239R92.6Very high88.5Confident113 Ų11390.1 Ų90.143%0.42646%0.457SS..Hα-helixtrans-58.6-31.3178.8-78.9170.6175.7171.10.4113.9E156 L235 Q236 S237 K241E156-R239 IonicContact OE1-CZ 2.72Å; E156-R239 IonicContact OE1-NE 2.82Å; E156-R239 PolarHBondContact OE1-NE 2.97Å; E156-R239 VanDerWaalsContact OE1-NE 3.07Å; E156-R239 IonicContact OE1-NH2 3.69Å; E156-R239 PolarHBondContact OE1-NH2 2.77Å; E156-R239 WeakPolarHBondContact OE2-CG 3.01Å; E156-R239 IonicContact OE2-CZ 3.45Å; E156-R239 IonicContact OE2-NE 3.73Å; E156-R239 PolarHBondContact OE2-NE 2.88Å; L235-R239 WeakPolarHBondContact O-CG 3.49Å; L235-R239 PolarHBondContact O-N 2.79Å; Q236-R239 PolarHBondContact O-N 2.92Å; S237-R239 PolarHBondContact O-N 3.35Å; R239-K241 VanDerWaalsContact C-N 3.33Å
240R91.2Very high88.6Confident176 Ų17687.4 Ų87.466%0.66445%0.448SS*.Hα-helixtrans-69.9-30176-67.3175.6-173.4177.74.3112.1Q236 S237 L238 F242 N243Q236-R240 WeakPolarHBondContact O-CG 3.43Å; Q236-R240 PolarHBondContact O-N 3.44Å; S237-R240 PolarHBondContact O-N 3.26Å; L238-R240 PolarHBondContact O-N 2.82Å; R240-F242 VanDerWaalsContact C-N 3.31Å; R240-F242 PolarHBondContact O-N 2.96Å; R240-N243 PolarHBondContact O-N 3.05Å
241K94.4Very high88.9Confident149 Ų14986.7 Ų86.765%0.64844%0.444SS*.Hα-helixtrans-66.9-29.4-179.8-63.6-179.6179.6-178.50113.5L160 S237 L238 R239 N243L160-K241 HydrophobicContact CD1-CB 4.48Å; L160-K241 HydrophobicContact CD2-CB 3.77Å; L160-K241 HydrophobicContact CD2-CD 3.88Å; L160-K241 HydrophobicContact CD2-CG 4.49Å; S237-K241 PolarHBondContact O-N 3.18Å; L238-K241 WeakPolarHBondContact O-CB 3.37Å; L238-K241 PolarHBondContact O-N 3.43Å; R239-K241 VanDerWaalsContact C-N 3.33Å; K241-N243 PolarHBondContact O-N 3.14Å
242F90.7Very high89.2Confident34 Ų3487.8 Ų87.815%0.14945%0.454CS..THydrogen-bonded Turntrans-63-23176.1-80.2-85.5000113.7E156 Q159 L160 L238 R240 H244E156-F242 HydrophobicContact CB-CE2 4.06Å; E156-F242 HydrophobicContact CB-CZ 4.31Å; E156-F242 WeakPolarHBondContact O-CZ 3.13Å; Q159-F242 HydrophobicContact CB-CE1 4.42Å; Q159-F242 HydrophobicContact CB-CZ 4.21Å; Q159-F242 HydrophobicContact CG-CE1 4.12Å; Q159-F242 HydrophobicContact CG-CZ 4.39Å; L160-F242 HydrophobicContact CB-CE1 4.13Å; L160-F242 HydrophobicContact CB-CE2 4.04Å; L160-F242 HydrophobicContact CB-CZ 3.71Å; L160-F242 HydrophobicContact CD1-CD1 4.07Å; L160-F242 HydrophobicContact CD1-CD2 4.36Å; L160-F242 HydrophobicContact CD1-CE1 4.15Å; L160-F242 HydrophobicContact CD1-CE2 4.42Å; L160-F242 HydrophobicContact CD1-CG 4.21Å; L160-F242 HydrophobicContact CD1-CZ 4.34Å; L238-F242 HydrophobicContact CG-CE2 4.46Å; R240-F242 VanDerWaalsContact C-N 3.31Å; R240-F242 PolarHBondContact O-N 2.96Å; F242-H244 VanDerWaalsContact CB-CD2 3.47Å; F242-H244 WeakPolarHBondContact CB-CD2 3.25Å; F242-H244 AromaticContact CD1-CD2 3.9Å; F242-H244 AromaticContact CD1-CE1 3.77Å; F242-H244 AromaticContact CD1-NE2 3.22Å; F242-H244 WeakPolarHBondContact CD1-NE2 3.39Å; F242-H244 AromaticContact CE1-NE2 3.99Å; F242-H244 AromaticContact CG-CD2 3.86Å; F242-H244 AromaticContact CG-NE2 3.69Å; F242-H244 PolarHBondContact O-N 2.99Å
243N88.4Confident89.7Confident151 Ų15192.5 Ų92.581%0.80747%0.466SS*.  trans47.134.8-176.6-163.230000113.6R240 K241R240-N243 PolarHBondContact O-N 3.05Å; K241-N243 PolarHBondContact O-N 3.14Å
244H87.6Confident90.3Very high87 Ų8786.6 Ų86.640%0.40344%0.439SS..PPolyproline II helixtrans-69.9136.8-176.7-76.6-38.9000111.5F242F242-H244 VanDerWaalsContact CB-CD2 3.47Å; F242-H244 WeakPolarHBondContact CB-CD2 3.25Å; F242-H244 AromaticContact CD1-CD2 3.9Å; F242-H244 AromaticContact CD1-CE1 3.77Å; F242-H244 AromaticContact CD1-NE2 3.22Å; F242-H244 WeakPolarHBondContact CD1-NE2 3.39Å; F242-H244 AromaticContact CE1-NE2 3.99Å; F242-H244 AromaticContact CG-CD2 3.86Å; F242-H244 AromaticContact CG-NE2 3.69Å; F242-H244 PolarHBondContact O-N 2.99Å
245K89.4Confident90.6Very high176 Ų17693.3 Ų93.377%0.76546%0.458SS*.PPolyproline II helixtrans-60.2141.7160.7-66.3-177.6-179.2177.60109.3L247 R286K245-L247 PolarHBondContact O-N 3.25Å; K245-R286 PolarHBondContact O-NH1 3.39Å; K245-R286 VanDerWaalsContact O-NH1 3.16Å; K245-R286 PolarHBondContact O-NH2 3.03Å
246P89.8Confident90.7Very high118 Ų118102.8 Ų102.877%0.76649%0.492SS*.PPolyproline II helixtrans-51.5142.9172.4-2634.7000111
247L91.8Very high91.1Very high33 Ų33100.5 Ų100.517%0.17348%0.479CS..PPolyproline II helixtrans-61.9135.2171.7-81.7168.1000108.9K245 T249 K282 Q285 R286 A289K245-L247 PolarHBondContact O-N 3.25Å; L247-T249 PolarHBondContact O-N 3.35Å; L247-K282 HydrophobicContact CD1-CG 3.83Å; L247-Q285 HydrophobicContact CD1-CB 4.4Å; L247-R286 HydrophobicContact CD1-CB 4.23Å; L247-R286 VanDerWaalsContact CD2-CA 3.49Å; L247-R286 HydrophobicContact CD2-CB 3.76Å; L247-R286 HydrophobicContact CD2-CG 4.14Å; L247-R286 HydrophobicContact CG-CB 4.35Å; L247-A289 HydrophobicContact CD2-CB 4.48Å
248P89.8Confident91.1Very high85 Ų85100.2 Ų100.255%0.55248%0.483SS*.PPolyproline II helixtrans-53.5133.9173.6-25.134.3000110.2
249T91.2Very high91.1Very high92 Ų92103.5 Ų103.556%0.56451%0.513SS*.PPolyproline II helixtrans-94117.8170.5-57.60000107.4L247 Q298L247-T249 PolarHBondContact O-N 3.35Å; T249-Q298 HydrophobicContact CG2-CG 4.49Å
250V89.8Confident91.2Very high37 Ų37101.9 Ų101.922%0.22451%0.512CS..  trans-107.7135.3177.8-178.60000108.4T200 T295 Q298 P376T200-V250 HydrophobicContact CG2-CG1 4.12Å; V250-T295 HydrophobicContact CB-CG2 3.87Å; V250-T295 HydrophobicContact CG1-CG2 3.78Å; V250-T295 HydrophobicContact CG2-CG2 4.02Å; V250-Q298 PolarHBondContact O-NE2 3.46Å; V250-P376 HydrophobicContact CG1-CB 3.5Å; V250-P376 VanDerWaalsContact CG1-CB 3.5Å; V250-P376 HydrophobicContact CG1-CG 4Å
251G90.3Very high91.5Very high25 Ų2595 Ų9526%0.25849%0.488SS..SBendtrans75.3-163.8-177.100000114.4Y370 P376G251-Y370 WeakPolarHBondContact CA-OH 3.36Å; G251-P376 VanDerWaalsContact CA-O 3.32Å; G251-P376 WeakPolarHBondContact CA-O 3.47Å
252S91.1Very high91.6Very high50 Ų5092.6 Ų92.635%0.3548%0.475SS..SBendtrans-64.3135.7175.7-72.10000111.5L254 Q298 Y370 P381S252-L254 PolarHBondContact O-N 3.43Å; S252-Q298 PolarHBondContact O-NE2 3.29Å; S252-Y370 PolarHBondContact N-OH 2.93Å; S252-P381 WeakPolarHBondContact OG-CD 3.39Å
253K92.4Very high91.8Very high172 Ų17291 Ų9175%0.74847%0.468SS*.PPolyproline II helixtrans-63.5127.1178.3-172.9175.1-178.2177.10110.6R255K253-R255 PolarHBondContact O-N 3.35Å
254L93.3Very high92.1Very high33 Ų3389.4 Ų89.417%0.17346%0.46CS..PPolyproline II helixtrans-62121.5175.4179.458.4000109.8A201 E203 S252 R256 Q298A201-L254 HydrophobicContact CB-CB 4.25Å; A201-L254 HydrophobicContact CB-CD1 4.21Å; E203-L254 HydrophobicContact CG-CD1 3.82Å; E203-L254 HydrophobicContact CG-CD2 4.35Å; S252-L254 PolarHBondContact O-N 3.43Å; L254-R256 PolarHBondContact O-N 3.25Å; L254-Q298 HydrophobicContact CB-CB 3.94Å; L254-Q298 HydrophobicContact CD2-CB 4.26Å
255R90.6Very high92.3Very high221 Ų22187.9 Ų87.983%0.83445%0.453SS*.  trans-78.3114.4177-67.2-176.4179.4-172.7-1.2108.9K253K253-R255 PolarHBondContact O-N 3.35Å
256R90.4Very high92.6Very high229 Ų22980.7 Ų80.786%0.86442%0.422SS*.  trans-67.6134.2173.8-66.8-172177-172.9-2.4110L254L254-R256 PolarHBondContact O-N 3.25Å
257R94.3Very high92.9Very high61 Ų6180.8 Ų80.823%0.2341%0.413CS..  trans-76163.6174.1-56.5-178.8-177.2-138.51.6110.8E203 F261 E265 Y302E203-R257 IonicContact OE1-NE 3.25Å; E203-R257 PolarHBondContact OE1-NE 2.91Å; E203-R257 IonicContact OE2-CZ 3.87Å; E203-R257 VanDerWaalsContact OE2-CZ 3.3Å; E203-R257 IonicContact OE2-NE 2.84Å; E203-R257 PolarHBondContact OE2-NE 3.11Å; E203-R257 IonicContact OE2-NH2 3.82Å; E203-R257 PolarHBondContact OE2-NH2 2.92Å; R257-F261 HydrophobicContact CB-CD1 3.68Å; R257-F261 HydrophobicContact CB-CD2 4.46Å; R257-F261 HydrophobicContact CB-CE1 3.43Å; R257-F261 VanDerWaalsContact CB-CE1 3.43Å; R257-F261 HydrophobicContact CB-CE2 4.26Å; R257-F261 HydrophobicContact CB-CG 4.2Å; R257-F261 HydrophobicContact CB-CZ 3.75Å; R257-F261 HydrophobicContact CG-CE1 4.28Å; R257-F261 HydrophobicContact CG-CE2 4.32Å; R257-F261 HydrophobicContact CG-CZ 4.09Å; R257-E265 IonicContact CZ-OE1 2.64Å; R257-E265 IonicContact CZ-OE2 3.67Å; R257-E265 IonicContact NH1-OE1 3.24Å; R257-E265 PolarHBondContact NH1-OE1 3.2Å; R257-E265 IonicContact NH1-OE2 2.89Å; R257-E265 PolarHBondContact NH1-OE2 3.36Å; R257-E265 IonicContact NH2-OE1 3.1Å; R257-E265 PolarHBondContact NH2-OE1 3.43Å; R257-E265 IonicContact NH2-OE2 3.42Å; R257-Y302 HydrophobicContact CB-CD1 4.49Å; R257-Y302 HydrophobicContact CB-CE1 3.64Å; R257-Y302 HydrophobicContact CG-CE1 4.1Å; R257-Y302 HydrophobicContact CG-CE2 4.38Å; R257-Y302 WeakPolarHBondContact CG-OH 3.32Å; R257-Y302 PolarHBondContact N-OH 2.85Å
258G93Very high93.1Very high44 Ų4482 Ų8245%0.45442%0.417SS..  trans-66.4174.6-178.300000113.6L260 F261G258-L260 PolarHBondContact O-N 3.38Å; G258-F261 WeakPolarHBondContact O-CD1 3.47Å
259A92Very high93.5Very high88 Ų8881.3 Ų81.373%0.72740%0.404SS*.SBendtrans-65.3-25.2178.700000113.5P272A259-P272 WeakPolarHBondContact O-CD 3.49Å
260L94.9Very high93.8Very high78 Ų7877 Ų7741%0.40838%0.377SS..SBendtrans-148.3132.5171.417967.3000107.7G258 Y269 I311G258-L260 PolarHBondContact O-N 3.38Å; L260-Y269 HydrophobicContact CD1-CD1 4.3Å; L260-Y269 HydrophobicContact CG-CD1 4.4Å; L260-I311 HydrophobicContact CD1-CD1 4.13Å; L260-I311 HydrophobicContact CD1-CG1 4.29Å; L260-I311 HydrophobicContact CD1-CG2 4.39Å; L260-I311 HydrophobicContact CD2-CD1 4.22Å; L260-I311 HydrophobicContact CD2-CG2 3.72Å
261F96.1Very high94.1Very high32 Ų3277.6 Ų77.614%0.1438%0.379CS..EExtended strand (participates in β ladder)trans-153.8156.1176.961.1-82.3000110.3F205 R257 G258 Y269 A270 Y302F205-F261 AromaticContact CE1-CE2 3.98Å; F205-F261 HydrophobicContact CE1-CE2 3.98Å; F205-F261 AromaticContact CE1-CZ 3.97Å; F205-F261 HydrophobicContact CE1-CZ 3.97Å; R257-F261 HydrophobicContact CB-CD1 3.68Å; R257-F261 HydrophobicContact CB-CD2 4.46Å; R257-F261 HydrophobicContact CB-CE1 3.43Å; R257-F261 VanDerWaalsContact CB-CE1 3.43Å; R257-F261 HydrophobicContact CB-CE2 4.26Å; R257-F261 HydrophobicContact CB-CG 4.2Å; R257-F261 HydrophobicContact CB-CZ 3.75Å; R257-F261 HydrophobicContact CG-CE1 4.28Å; R257-F261 HydrophobicContact CG-CE2 4.32Å; R257-F261 HydrophobicContact CG-CZ 4.09Å; G258-F261 WeakPolarHBondContact O-CD1 3.47Å; F261-Y269 CarbonylContact O-C 3.37Å; F261-Y269 WeakPolarHBondContact O-CA 3.41Å; F261-A270 HydrophobicContact CE1-CB 4.14Å; F261-A270 HydrophobicContact CE2-CB 3.87Å; F261-A270 HydrophobicContact CZ-CB 3.64Å; F261-A270 PolarHBondContact N-O 3.38Å; F261-A270 VanDerWaalsContact N-O 3.08Å; F261-A270 PolarHBondContact O-N 2.73Å; F261-Y302 AromaticContact CE1-CD1 3.64Å; F261-Y302 HydrophobicContact CE1-CD1 3.64Å; F261-Y302 AromaticContact CE1-CE1 3.97Å; F261-Y302 HydrophobicContact CE1-CE1 3.97Å; F261-Y302 HydrophobicContact CE1-CG 4.32Å; F261-Y302 AromaticContact CZ-CD1 3.66Å; F261-Y302 HydrophobicContact CZ-CD1 3.66Å; F261-Y302 HydrophobicContact CZ-CE1 4.11Å; F261-Y302 AromaticContact CZ-CG 3.89Å; F261-Y302 HydrophobicContact CZ-CG 3.89Å
262Y96.4Very high94.3Very high99 Ų9978.4 Ų78.439%0.38838%0.38SS..EExtended strand (participates in β ladder)trans-83127.4168-170.9-100.2000109.4Q267 Y269Y262-Q267 VanDerWaalsContact OH-C 3.24Å; Y262-Q267 WeakPolarHBondContact OH-CA 3.23Å; Y262-Q267 PolarHBondContact OH-O 3.08Å; Y262-Q267 VanDerWaalsContact OH-O 3.05Å; Y262-Q267 PolarHBondContact OH-OE1 2.98Å; Y262-Y269 HydrophobicContact CD2-CD1 4.42Å; Y262-Y269 AromaticContact CD2-CD2 3.84Å; Y262-Y269 HydrophobicContact CD2-CD2 3.84Å; Y262-Y269 HydrophobicContact CD2-CE1 4.42Å; Y262-Y269 AromaticContact CD2-CE2 3.84Å; Y262-Y269 HydrophobicContact CD2-CE2 3.84Å; Y262-Y269 HydrophobicContact CD2-CG 4.15Å; Y262-Y269 HydrophobicContact CE2-CD2 4.44Å; Y262-Y269 HydrophobicContact CE2-CE2 4.47Å
263S96.3Very high94.5Very high0 Ų078.4 Ų78.40%037%0.374CS..EExtended strand (participates in β ladder)trans-100.2115.9179.11760000110F205 E265 I266 Q267 E268F205-S263 WeakPolarHBondContact CE1-OG 3.04Å; S263-E265 PolarHBondContact O-N 2.83Å; S263-E265 WeakPolarHBondContact OG-CB 3.01Å; S263-E265 PolarHBondContact OG-N 2.84Å; S263-E265 PolarHBondContact OG-OE2 3.45Å; S263-I266 PolarHBondContact O-N 2.69Å; S263-Q267 WeakPolarHBondContact O-CA 3.14Å; S263-Q267 PolarHBondContact O-N 2.94Å; S263-E268 PolarHBondContact N-O 2.82Å; S263-E268 PolarHBondContact O-N 3.12Å
264N94.2Very high94.2Very high118 Ų11877.2 Ų77.263%0.63137%0.373SS*.THydrogen-bonded Turntrans-67.6-21.7173.1-66.5-34.3000111.7Q267N264-Q267 PolarHBondContact O-NE2 3.45Å
265E92.3Very high94Very high55 Ų5577.1 Ų77.126%0.25738%0.38SS..THydrogen-bonded Turntrans-68.4-38.2-179.9-66.485.7178.400113.3F205 R257 S263 Y366F205-E265 HydrophobicContact CE2-CB 4.35Å; F205-E265 HydrophobicContact CE2-CG 4.37Å; R257-E265 IonicContact CZ-OE1 2.64Å; R257-E265 IonicContact CZ-OE2 3.67Å; R257-E265 IonicContact NH1-OE1 3.24Å; R257-E265 PolarHBondContact NH1-OE1 3.2Å; R257-E265 IonicContact NH1-OE2 2.89Å; R257-E265 PolarHBondContact NH1-OE2 3.36Å; R257-E265 IonicContact NH2-OE1 3.1Å; R257-E265 PolarHBondContact NH2-OE1 3.43Å; R257-E265 IonicContact NH2-OE2 3.42Å; S263-E265 PolarHBondContact O-N 2.83Å; S263-E265 WeakPolarHBondContact OG-CB 3.01Å; S263-E265 PolarHBondContact OG-N 2.84Å; S263-E265 PolarHBondContact OG-OE2 3.45Å; E265-Y366 HydrophobicContact CB-CD2 4.4Å; E265-Y366 HydrophobicContact CB-CE1 4.1Å; E265-Y366 HydrophobicContact CB-CE2 3.62Å; E265-Y366 VanDerWaalsContact CB-CZ 3.44Å; E265-Y366 WeakPolarHBondContact CB-OH 3.42Å; E265-Y366 HydrophobicContact CG-CD1 4.25Å; E265-Y366 HydrophobicContact CG-CD2 4.3Å; E265-Y366 HydrophobicContact CG-CE1 3.89Å; E265-Y366 HydrophobicContact CG-CE2 3.95Å; E265-Y366 HydrophobicContact CG-CG 4.43Å; E265-Y366 PolarHBondContact O-OH 3.05Å
266I95Very high94.2Very high24 Ų2466.7 Ų66.712%0.12334%0.341CS..THydrogen-bonded Turntrans-115.8-1.4-179.260.4164.1000113.4F205 T207 S263 E268 A270F205-I266 HydrophobicContact CB-CD1 4.3Å; F205-I266 HydrophobicContact CB-CG2 3.61Å; F205-I266 HydrophobicContact CD1-CD1 4.05Å; F205-I266 HydrophobicContact CD1-CG1 4.28Å; F205-I266 HydrophobicContact CD1-CG2 4.43Å; F205-I266 HydrophobicContact CG-CG2 4.02Å; T207-I266 HydrophobicContact CG2-CB 4.35Å; T207-I266 HydrophobicContact CG2-CD1 3.77Å; T207-I266 HydrophobicContact CG2-CG2 4.47Å; S263-I266 PolarHBondContact O-N 2.69Å; I266-E268 HydrophobicContact CD1-CB 3.97Å; I266-E268 HydrophobicContact CG1-CB 4.13Å; I266-E268 PolarHBondContact O-N 2.85Å; I266-A270 HydrophobicContact CD1-CB 4.36Å
267Q95.9Very high94.5Very high121 Ų12155.8 Ų55.857%0.56530%0.3SS*.THydrogen-bonded Turntrans57.630.7-178.2-60.8-67.5-60.400113.7Y262 S263 N264Y262-Q267 VanDerWaalsContact OH-C 3.24Å; Y262-Q267 WeakPolarHBondContact OH-CA 3.23Å; Y262-Q267 PolarHBondContact OH-O 3.08Å; Y262-Q267 VanDerWaalsContact OH-O 3.05Å; Y262-Q267 PolarHBondContact OH-OE1 2.98Å; S263-Q267 WeakPolarHBondContact O-CA 3.14Å; S263-Q267 PolarHBondContact O-N 2.94Å; N264-Q267 PolarHBondContact O-NE2 3.45Å
268E96.4Very high94.6Very high57 Ų5755.3 Ų55.327%0.26630%0.304SS..EExtended strand (participates in β ladder)trans-135.2161.7-179.6-67-178.2-156.100110.8S263 I266 G306S263-E268 PolarHBondContact N-O 2.82Å; S263-E268 PolarHBondContact O-N 3.12Å; I266-E268 HydrophobicContact CD1-CB 3.97Å; I266-E268 HydrophobicContact CG1-CB 4.13Å; I266-E268 PolarHBondContact O-N 2.85Å; E268-G306 WeakPolarHBondContact OE2-CA 3.32Å; E268-G306 PolarHBondContact OE2-N 3.34Å
269Y97.2Very high94.7Very high72 Ų7253.6 Ų53.628%0.28229%0.285SS..EExtended strand (participates in β ladder)trans-69.4141.8161.6-73.9-92.2000109.8L260 F261 Y262 G304 V305 G306 I311L260-Y269 HydrophobicContact CD1-CD1 4.3Å; L260-Y269 HydrophobicContact CG-CD1 4.4Å; F261-Y269 CarbonylContact O-C 3.37Å; F261-Y269 WeakPolarHBondContact O-CA 3.41Å; Y262-Y269 HydrophobicContact CD2-CD1 4.42Å; Y262-Y269 AromaticContact CD2-CD2 3.84Å; Y262-Y269 HydrophobicContact CD2-CD2 3.84Å; Y262-Y269 HydrophobicContact CD2-CE1 4.42Å; Y262-Y269 AromaticContact CD2-CE2 3.84Å; Y262-Y269 HydrophobicContact CD2-CE2 3.84Å; Y262-Y269 HydrophobicContact CD2-CG 4.15Å; Y262-Y269 HydrophobicContact CE2-CD2 4.44Å; Y262-Y269 HydrophobicContact CE2-CE2 4.47Å; Y269-G304 WeakPolarHBondContact O-CA 3.45Å; Y269-V305 WeakPolarHBondContact O-CG2 3.16Å; Y269-V305 PolarHBondContact O-N 3.32Å; Y269-G306 WeakPolarHBondContact CB-O 3.21Å; Y269-G306 PolarHBondContact N-O 3.07Å; Y269-I311 HydrophobicContact CD1-CD1 3.55Å; Y269-I311 HydrophobicContact CD2-CD1 3.59Å; Y269-I311 HydrophobicContact CE1-CD1 4.09Å; Y269-I311 HydrophobicContact CE2-CD1 4.14Å; Y269-I311 HydrophobicContact CG-CD1 3.25Å; Y269-I311 HydrophobicContact CG-CG1 4.33Å
270A97.1Very high95Very high0 Ų049.4 Ų49.40%025%0.251CS..EExtended strand (participates in β ladder)trans-133.4154.9-178.800000111.5F205 F261 I266 A303F205-A270 HydrophobicContact CD1-CB 4.45Å; F205-A270 HydrophobicContact CE1-CB 4.5Å; F261-A270 HydrophobicContact CE1-CB 4.14Å; F261-A270 HydrophobicContact CE2-CB 3.87Å; F261-A270 HydrophobicContact CZ-CB 3.64Å; F261-A270 PolarHBondContact N-O 3.38Å; F261-A270 VanDerWaalsContact N-O 3.08Å; F261-A270 PolarHBondContact O-N 2.73Å; I266-A270 HydrophobicContact CD1-CB 4.36Å; A270-A303 WeakPolarHBondContact CA-O 3.2Å
271L96Very high95.2Very high50 Ų5045.7 Ų45.726%0.26223%0.231SC..EExtended strand (participates in β ladder)trans-132.9155.4176.356.387.7000110.4F273 Y302 A303 V305L271-F273 PolarHBondContact O-N 3.38Å; L271-Y302 CarbonylContact O-C 3.12Å; L271-Y302 VanDerWaalsContact O-CA 3.26Å; L271-Y302 WeakPolarHBondContact O-CA 3.32Å; L271-A303 HydrophobicContact CD1-CB 4.45Å; L271-A303 PolarHBondContact N-O 3.12Å; L271-A303 PolarHBondContact O-N 3.33Å; L271-V305 HydrophobicContact CD2-CG1 3.49Å; L271-V305 VanDerWaalsContact CD2-CG1 3.49Å; L271-V305 HydrophobicContact CD2-CG2 4.45Å; L271-V305 HydrophobicContact CG-CG1 3.96Å
272P96Very high95.2Very high43 Ų4350 Ų5028%0.27925%0.25SC..EExtended strand (participates in β ladder)trans-55.6129173.2-25.234.9000111.3A259 M274A259-P272 WeakPolarHBondContact O-CD 3.49Å; P272-M274 PolarHBondContact O-N 3.25Å
273F93.8Very high95.3Very high50 Ų5046.4 Ų46.422%0.21924%0.236CC..  trans-68.6121.3177.5-177.8-107.9000109.9L206 L271 D277 A301 A303L206-F273 HydrophobicContact CD2-CE2 4.12Å; L271-F273 PolarHBondContact O-N 3.38Å; F273-D277 HydrophobicContact CD1-CB 4.03Å; F273-D277 HydrophobicContact CE1-CB 3.95Å; F273-D277 WeakPolarHBondContact CE1-OD1 3.2Å; F273-D277 WeakPolarHBondContact CE1-OD2 3.39Å; F273-A301 HydrophobicContact CB-CB 3.88Å; F273-A301 HydrophobicContact CD1-CB 4.47Å; F273-A301 PolarHBondContact N-O 2.94Å; F273-A303 HydrophobicContact CD2-CB 4.22Å
274M86.3Confident95.4Very high146 Ų14646.4 Ų46.472%0.71924%0.236SC*.  trans-93.93-175.6-62.5-170.7174.800113.8F229 P272F229-M274 HydrophobicContact CE1-SD 4.31Å; F229-M274 HydrophobicContact CZ-SD 3.92Å; P272-M274 PolarHBondContact O-N 3.25Å
275G89.5Confident95.6Very high31 Ų3141 Ų4132%0.3221%0.207SC..SBendtrans-80.1-160.6178.300000113.5P278G275-P278 WeakPolarHBondContact O-CD 3.45Å
276S94.2Very high95.8Very high2 Ų239.5 Ų39.51%0.01420%0.199CC..SBendtrans-81.3-20.4-170.471.50000115.6G150 D180 S181 P278 S279 V280G150-S276 WeakPolarHBondContact O-CB 3.49Å; D180-S276 PolarHBondContact O-OG 3.08Å; D180-S276 VanDerWaalsContact O-OG 3.07Å; S181-S276 PolarHBondContact OG-OG 2.92Å; S276-P278 VanDerWaalsContact C-CD 3.48Å; S276-P278 VanDerWaalsContact O-N 3.16Å; S276-S279 WeakPolarHBondContact O-CA 3.46Å; S276-S279 WeakPolarHBondContact O-CB 3.19Å; S276-S279 PolarHBondContact O-N 3.2Å; S276-V280 PolarHBondContact O-N 3.32Å
277D97.3Very high96Very high1 Ų139.7 Ų39.71%0.00520%0.199CC..Hα-helixtrans-46.6-49.3-175.1-53.3-1.7000114.1A184 F273 S279 V280 V281 Y299A184-D277 HydrophobicContact CB-CB 3.68Å; A184-D277 WeakPolarHBondContact CB-OD2 3.43Å; F273-D277 HydrophobicContact CD1-CB 4.03Å; F273-D277 HydrophobicContact CE1-CB 3.95Å; F273-D277 WeakPolarHBondContact CE1-OD1 3.2Å; F273-D277 WeakPolarHBondContact CE1-OD2 3.39Å; D277-S279 PolarHBondContact O-N 3.37Å; D277-V280 PolarHBondContact O-N 3.23Å; D277-V281 WeakPolarHBondContact O-CB 3.46Å; D277-V281 VanDerWaalsContact O-CG2 3.3Å; D277-V281 WeakPolarHBondContact O-CG2 3.28Å; D277-V281 PolarHBondContact O-N 3.24Å; D277-Y299 HydrophobicContact CB-CE1 4.1Å
278P96.4Very high96Very high51 Ų5134.1 Ų34.133%0.33117%0.173SC..Hα-helixtrans-65.7-28.9-176.9-20.535.1000112.7G275 S276 K282 A301G275-P278 WeakPolarHBondContact O-CD 3.45Å; S276-P278 VanDerWaalsContact C-CD 3.48Å; S276-P278 VanDerWaalsContact O-N 3.16Å; P278-K282 WeakPolarHBondContact O-CB 3.33Å; P278-K282 PolarHBondContact O-N 3.45Å; P278-A301 HydrophobicContact CG-CB 4.01Å
279S95.9Very high96Very high8 Ų832.5 Ų32.56%0.05617%0.169CC..Hα-helixtrans-73.7-49173.5176.70000110.7E156 S276 D277 K282 R283E156-S279 PolarHBondContact OE1-OG 2.96Å; S276-S279 WeakPolarHBondContact O-CA 3.46Å; S276-S279 WeakPolarHBondContact O-CB 3.19Å; S276-S279 PolarHBondContact O-N 3.2Å; D277-S279 PolarHBondContact O-N 3.37Å; S279-K282 PolarHBondContact O-N 3.04Å; S279-R283 WeakPolarHBondContact O-CG 3.44Å; S279-R283 PolarHBondContact O-N 2.71Å
280V98.4Very high95.9Very high0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-64.4-49.3-176.6177.90000111.3L155 S181 D185 S276 D277 K282 R283 T284L155-V280 HydrophobicContact CD1-CG2 4Å; S181-V280 WeakPolarHBondContact OG-CB 3.39Å; S181-V280 VanDerWaalsContact OG-CG2 3.31Å; S181-V280 WeakPolarHBondContact OG-CG2 3.3Å; D185-V280 HydrophobicContact CB-CG1 4.18Å; D185-V280 WeakPolarHBondContact OD2-CG1 3.42Å; S276-V280 PolarHBondContact O-N 3.32Å; D277-V280 PolarHBondContact O-N 3.23Å; V280-K282 VanDerWaalsContact C-N 3.3Å; V280-K282 PolarHBondContact O-N 3.4Å; V280-R283 WeakPolarHBondContact O-CB 3.46Å; V280-R283 PolarHBondContact O-N 3.41Å; V280-R283 VanDerWaalsContact O-N 3.08Å; V280-T284 PolarHBondContact O-N 3.25Å; V280-T284 PolarHBondContact O-OG1 3.23Å
281V98.4Very high95.8Very high0 Ų040.4 Ų40.40%021%0.209CC..Hα-helixtrans-58.1-43.5175.3174.10000110.9D185 V188 D277 R283 T284 Q285 Y299D185-V281 HydrophobicContact CB-CG2 4.22Å; D185-V281 WeakPolarHBondContact OD1-CA 3.27Å; V188-V281 HydrophobicContact CG2-CG1 4.03Å; V188-V281 HydrophobicContact CG2-CG2 4.28Å; D277-V281 WeakPolarHBondContact O-CB 3.46Å; D277-V281 VanDerWaalsContact O-CG2 3.3Å; D277-V281 WeakPolarHBondContact O-CG2 3.28Å; D277-V281 PolarHBondContact O-N 3.24Å; V281-R283 VanDerWaalsContact C-N 3.3Å; V281-R283 PolarHBondContact O-N 3.33Å; V281-T284 WeakPolarHBondContact O-CB 3.44Å; V281-T284 PolarHBondContact O-N 2.78Å; V281-Q285 HydrophobicContact CG1-CG 4.1Å; V281-Q285 VanDerWaalsContact O-CG 3.3Å; V281-Q285 WeakPolarHBondContact O-CG 3.43Å; V281-Q285 PolarHBondContact O-N 2.67Å; V281-Y299 HydrophobicContact CB-CD1 3.59Å; V281-Y299 HydrophobicContact CB-CE1 3.9Å; V281-Y299 HydrophobicContact CB-CG 4.18Å; V281-Y299 HydrophobicContact CG1-CD1 3.61Å; V281-Y299 HydrophobicContact CG1-CD2 4.35Å; V281-Y299 HydrophobicContact CG1-CE1 4.25Å; V281-Y299 HydrophobicContact CG1-CG 3.66Å; V281-Y299 HydrophobicContact CG2-CD1 3.76Å; V281-Y299 HydrophobicContact CG2-CE1 3.53Å; V281-Y299 HydrophobicContact CG2-CG 4.41Å
282K97.2Very high95.8Very high122 Ų12241.3 Ų41.353%0.5321%0.209SC..Hα-helixtrans-62.2-37.8178.2-175.8-178179.5-174.30112.2L247 P278 S279 V280 R286L247-K282 HydrophobicContact CD1-CG 3.83Å; P278-K282 WeakPolarHBondContact O-CB 3.33Å; P278-K282 PolarHBondContact O-N 3.45Å; S279-K282 PolarHBondContact O-N 3.04Å; V280-K282 VanDerWaalsContact C-N 3.3Å; V280-K282 PolarHBondContact O-N 3.4Å; K282-R286 WeakPolarHBondContact O-CB 3.45Å; K282-R286 PolarHBondContact O-N 2.72Å
283R97.6Very high95.7Very high23 Ų2347.9 Ų47.99%0.08724%0.236CC..Hα-helixtrans-66.5-42.8175-69.8166.266.8-143.8-4.7111S279 V280 V281 R286 F287S279-R283 WeakPolarHBondContact O-CG 3.44Å; S279-R283 PolarHBondContact O-N 2.71Å; V280-R283 WeakPolarHBondContact O-CB 3.46Å; V280-R283 PolarHBondContact O-N 3.41Å; V280-R283 VanDerWaalsContact O-N 3.08Å; V281-R283 VanDerWaalsContact C-N 3.3Å; V281-R283 PolarHBondContact O-N 3.33Å; R283-R286 PolarHBondContact O-N 2.92Å; R283-F287 PolarHBondContact O-N 3.06Å
284T98.6Very high95.7Very high0 Ų046.9 Ų46.90%024%0.237CC..Hα-helixtrans-57.6-53.9172.4-69.50000111.7D185 I189 V280 V281 R286 F287 L288 S425 A428D185-T284 WeakPolarHBondContact OD1-CB 3.3Å; D185-T284 WeakPolarHBondContact OD1-CG2 3.12Å; D185-T284 PolarHBondContact OD1-OG1 3.24Å; D185-T284 PolarHBondContact OD2-OG1 3.12Å; I189-T284 HydrophobicContact CD1-CG2 3.9Å; V280-T284 PolarHBondContact O-N 3.25Å; V280-T284 PolarHBondContact O-OG1 3.23Å; V281-T284 WeakPolarHBondContact O-CB 3.44Å; V281-T284 PolarHBondContact O-N 2.78Å; T284-R286 PolarHBondContact O-N 3.11Å; T284-F287 PolarHBondContact O-N 3.26Å; T284-F287 VanDerWaalsContact O-N 3.14Å; T284-L288 HydrophobicContact CG2-CD1 3.76Å; T284-L288 HydrophobicContact CG2-CG 4.25Å; T284-L288 VanDerWaalsContact O-CG 3.28Å; T284-L288 WeakPolarHBondContact O-CG 3.42Å; T284-L288 PolarHBondContact O-N 3.05Å; T284-S425 WeakPolarHBondContact CA-OG 3.33Å; T284-S425 PolarHBondContact N-OG 3.36Å; T284-S425 VanDerWaalsContact OG1-CB 3.31Å; T284-S425 WeakPolarHBondContact OG1-CB 3.19Å; T284-S425 PolarHBondContact OG1-OG 3.24Å; T284-A428 PolarHBondContact OG1-N 3.34Å
285Q98.3Very high96.1Very high5 Ų542.6 Ų42.62%0.02322%0.219CC..Hα-helixtrans-60.7-34.9-179.1-64.5-54-54.200112.1L247 V281 A289L247-Q285 HydrophobicContact CD1-CB 4.4Å; V281-Q285 HydrophobicContact CG1-CG 4.1Å; V281-Q285 VanDerWaalsContact O-CG 3.3Å; V281-Q285 WeakPolarHBondContact O-CG 3.43Å; V281-Q285 PolarHBondContact O-N 2.67Å; Q285-A289 VanDerWaalsContact O-CB 3.27Å; Q285-A289 WeakPolarHBondContact O-CB 3.01Å; Q285-A289 PolarHBondContact O-N 2.81Å
286R97.3Very high96.4Very high23 Ų2341.7 Ų41.79%0.08721%0.207CC..Hα-helixtrans-63.2-52.6172.5178.4172.6-61.8-76.70.4112.4K245 L247 K282 R283 T284 L288 A289 E290K245-R286 PolarHBondContact O-NH1 3.39Å; K245-R286 VanDerWaalsContact O-NH1 3.16Å; K245-R286 PolarHBondContact O-NH2 3.03Å; L247-R286 HydrophobicContact CD1-CB 4.23Å; L247-R286 VanDerWaalsContact CD2-CA 3.49Å; L247-R286 HydrophobicContact CD2-CB 3.76Å; L247-R286 HydrophobicContact CD2-CG 4.14Å; L247-R286 HydrophobicContact CG-CB 4.35Å; K282-R286 WeakPolarHBondContact O-CB 3.45Å; K282-R286 PolarHBondContact O-N 2.72Å; R283-R286 PolarHBondContact O-N 2.92Å; T284-R286 PolarHBondContact O-N 3.11Å; R286-L288 VanDerWaalsContact C-N 3.3Å; R286-L288 PolarHBondContact O-N 3.02Å; R286-A289 PolarHBondContact O-N 3.25Å; R286-E290 WeakPolarHBondContact CD-OE1 3.26Å; R286-E290 HydrophobicContact CG-CG 4.21Å; R286-E290 WeakPolarHBondContact CG-OE1 3.36Å; R286-E290 WeakPolarHBondContact CG-OE2 3.46Å; R286-E290 IonicContact CZ-OE1 3.3Å; R286-E290 IonicContact NH1-OE1 2.7Å; R286-E290 PolarHBondContact NH1-OE1 3.19Å; R286-E290 WeakPolarHBondContact O-CB 3.37Å; R286-E290 WeakPolarHBondContact O-CG 3.41Å; R286-E290 PolarHBondContact O-N 2.88Å
287F97.4Very high96.5Very high29 Ų2941.9 Ų41.913%0.12721%0.209CC..Hα-helixtrans-56.1-47.3179.5172.1-95.9000111.1R283 T284 A289 E290 E291 Y292 P418 Y424 A428R283-F287 PolarHBondContact O-N 3.06Å; T284-F287 PolarHBondContact O-N 3.26Å; T284-F287 VanDerWaalsContact O-N 3.14Å; F287-A289 VanDerWaalsContact C-N 3.33Å; F287-A289 PolarHBondContact O-N 2.97Å; F287-E290 PolarHBondContact O-N 2.9Å; F287-E291 HydrophobicContact CD2-CB 4.34Å; F287-E291 HydrophobicContact CD2-CG 3.7Å; F287-E291 HydrophobicContact CE2-CB 4.02Å; F287-E291 HydrophobicContact CE2-CG 3.5Å; F287-E291 VanDerWaalsContact CE2-CG 3.5Å; F287-E291 HydrophobicContact CG-CG 4.45Å; F287-E291 HydrophobicContact CZ-CB 4.13Å; F287-E291 HydrophobicContact CZ-CG 4.11Å; F287-E291 VanDerWaalsContact O-CB 3.28Å; F287-E291 WeakPolarHBondContact O-CB 3.47Å; F287-E291 PolarHBondContact O-N 3.11Å; F287-Y292 HydrophobicContact CD1-CE2 4.49Å; F287-Y292 HydrophobicContact CE1-CD2 4.34Å; F287-Y292 AromaticContact CE1-CE2 3.65Å; F287-Y292 HydrophobicContact CE1-CE2 3.65Å; F287-Y292 AromaticContact CE1-CZ 3.9Å; F287-Y292 HydrophobicContact CZ-CE2 4.34Å; F287-P418 HydrophobicContact CE1-CG 4.36Å; F287-P418 HydrophobicContact CZ-CB 3.94Å; F287-P418 HydrophobicContact CZ-CG 3.83Å; F287-Y424 HydrophobicContact CD2-CD1 4.23Å; F287-Y424 AromaticContact CD2-CE1 3.91Å; F287-Y424 HydrophobicContact CD2-CE1 3.91Å; F287-Y424 HydrophobicContact CE2-CD1 4.08Å; F287-Y424 AromaticContact CE2-CE1 3.45Å; F287-Y424 HydrophobicContact CE2-CE1 3.45Å; F287-Y424 VanDerWaalsContact CE2-CE1 3.45Å; F287-Y424 HydrophobicContact CZ-CD1 4.5Å; F287-Y424 HydrophobicContact CZ-CE1 4.03Å; F287-A428 HydrophobicContact CB-CB 3.85Å; F287-A428 HydrophobicContact CD1-CB 3.47Å; F287-A428 VanDerWaalsContact CD1-CB 3.47Å; F287-A428 HydrophobicContact CD2-CB 4.44Å; F287-A428 HydrophobicContact CE1-CB 4.13Å; F287-A428 VanDerWaalsContact CE1-O 3.25Å; F287-A428 WeakPolarHBondContact CE1-O 3.22Å; F287-A428 HydrophobicContact CG-CB 3.66Å
288L97.6Very high96.5Very high4 Ų443.4 Ų43.42%0.02122%0.216CC..Hα-helixtrans-63.2-37.9179.5-62.8173.2000112.7I189 R192 T284 R286 Y292 Q293 A294 A431I189-L288 HydrophobicContact CD1-CD1 3.59Å; R192-L288 VanDerWaalsContact NH1-CD1 3.32Å; T284-L288 HydrophobicContact CG2-CD1 3.76Å; T284-L288 HydrophobicContact CG2-CG 4.25Å; T284-L288 VanDerWaalsContact O-CG 3.28Å; T284-L288 WeakPolarHBondContact O-CG 3.42Å; T284-L288 PolarHBondContact O-N 3.05Å; R286-L288 VanDerWaalsContact C-N 3.3Å; R286-L288 PolarHBondContact O-N 3.02Å; L288-Y292 HydrophobicContact CD2-CD2 3.55Å; L288-Y292 HydrophobicContact CD2-CE2 3.93Å; L288-Y292 CarbonylContact O-C 3.48Å; L288-Y292 VanDerWaalsContact O-C 3.31Å; L288-Y292 VanDerWaalsContact O-CA 3.31Å; L288-Y292 WeakPolarHBondContact O-CA 3.48Å; L288-Y292 WeakPolarHBondContact O-CB 3.47Å; L288-Y292 PolarHBondContact O-N 3.23Å; L288-Q293 PolarHBondContact O-N 3.36Å; L288-Q293 VanDerWaalsContact O-N 3.12Å; L288-A294 HydrophobicContact CB-CB 4.03Å; L288-A294 PolarHBondContact O-N 2.8Å; L288-A294 VanDerWaalsContact O-N 3.07Å; L288-A431 HydrophobicContact CD2-CB 4.18Å
289A96.4Very high96.6Very high22 Ų2242.9 Ų42.918%0.18221%0.207CC..Hα-helixtrans-69.9-41.6177.700000112.6L247 Q285 R286 F287 Q293 A294 P296L247-A289 HydrophobicContact CD2-CB 4.48Å; Q285-A289 VanDerWaalsContact O-CB 3.27Å; Q285-A289 WeakPolarHBondContact O-CB 3.01Å; Q285-A289 PolarHBondContact O-N 2.81Å; R286-A289 PolarHBondContact O-N 3.25Å; F287-A289 VanDerWaalsContact C-N 3.33Å; F287-A289 PolarHBondContact O-N 2.97Å; A289-Q293 VanDerWaalsContact O-CA 3.3Å; A289-Q293 WeakPolarHBondContact O-CA 3.47Å; A289-Q293 PolarHBondContact O-N 3.1Å; A289-A294 WeakPolarHBondContact CA-O 3.16Å; A289-P296 HydrophobicContact CB-CG 3.84Å
290E95Very high96.7Very high111 Ų11142.9 Ų42.952%0.51921%0.209SC..Hα-helixtrans-78.6-42.5-176.6-69.7172.8-177.800111.8R286 F287R286-E290 WeakPolarHBondContact CD-OE1 3.26Å; R286-E290 HydrophobicContact CG-CG 4.21Å; R286-E290 WeakPolarHBondContact CG-OE1 3.36Å; R286-E290 WeakPolarHBondContact CG-OE2 3.46Å; R286-E290 IonicContact CZ-OE1 3.3Å; R286-E290 IonicContact NH1-OE1 2.7Å; R286-E290 PolarHBondContact NH1-OE1 3.19Å; R286-E290 WeakPolarHBondContact O-CB 3.37Å; R286-E290 WeakPolarHBondContact O-CG 3.41Å; R286-E290 PolarHBondContact O-N 2.88Å; F287-E290 PolarHBondContact O-N 2.9Å
291E95.1Very high96.7Very high128 Ų12843.3 Ų43.360%0.59821%0.213SC*.Hα-helixtrans-94.7-33-173.3-65-67.8150.600113.7F287F287-E291 HydrophobicContact CD2-CB 4.34Å; F287-E291 HydrophobicContact CD2-CG 3.7Å; F287-E291 HydrophobicContact CE2-CB 4.02Å; F287-E291 HydrophobicContact CE2-CG 3.5Å; F287-E291 VanDerWaalsContact CE2-CG 3.5Å; F287-E291 HydrophobicContact CG-CG 4.45Å; F287-E291 HydrophobicContact CZ-CB 4.13Å; F287-E291 HydrophobicContact CZ-CG 4.11Å; F287-E291 VanDerWaalsContact O-CB 3.28Å; F287-E291 WeakPolarHBondContact O-CB 3.47Å; F287-E291 PolarHBondContact O-N 3.11Å
292Y94.9Very high96.6Very high68 Ų6843.7 Ų43.727%0.26721%0.214SC..Hα-helixtrans-113.83.6-177.9-58-32.6000113.8F287 L288 A294 K432F287-Y292 HydrophobicContact CD1-CE2 4.49Å; F287-Y292 HydrophobicContact CE1-CD2 4.34Å; F287-Y292 AromaticContact CE1-CE2 3.65Å; F287-Y292 HydrophobicContact CE1-CE2 3.65Å; F287-Y292 AromaticContact CE1-CZ 3.9Å; F287-Y292 HydrophobicContact CZ-CE2 4.34Å; L288-Y292 HydrophobicContact CD2-CD2 3.55Å; L288-Y292 HydrophobicContact CD2-CE2 3.93Å; L288-Y292 CarbonylContact O-C 3.48Å; L288-Y292 VanDerWaalsContact O-C 3.31Å; L288-Y292 VanDerWaalsContact O-CA 3.31Å; L288-Y292 WeakPolarHBondContact O-CA 3.48Å; L288-Y292 WeakPolarHBondContact O-CB 3.47Å; L288-Y292 PolarHBondContact O-N 3.23Å; Y292-A294 PolarHBondContact O-N 2.8Å; Y292-K432 VanDerWaalsContact CE1-NZ 3.33Å; Y292-K432 HydrophobicContact CE2-CD 4.19Å
293Q94.6Very high96.6Very high181 Ų18138.7 Ų38.785%0.84620%0.195SC*.  trans53.728.3-178.6-56.8178.2-3.300112.5L288 A289L288-Q293 PolarHBondContact O-N 3.36Å; L288-Q293 VanDerWaalsContact O-N 3.12Å; A289-Q293 VanDerWaalsContact O-CA 3.3Å; A289-Q293 WeakPolarHBondContact O-CA 3.47Å; A289-Q293 PolarHBondContact O-N 3.1Å
294A94.3Very high96.6Very high30 Ų3038.4 Ų38.425%0.24820%0.199CC..PPolyproline II helixtrans-75.8146.7179.300000110.6L288 A289 Y292 P296L288-A294 HydrophobicContact CB-CB 4.03Å; L288-A294 PolarHBondContact O-N 2.8Å; L288-A294 VanDerWaalsContact O-N 3.07Å; A289-A294 WeakPolarHBondContact CA-O 3.16Å; Y292-A294 PolarHBondContact O-N 2.8Å; A294-P296 VanDerWaalsContact O-CD 3.3Å; A294-P296 WeakPolarHBondContact O-CD 3.31Å
295T93.6Very high96.4Very high55 Ų5539.4 Ų39.434%0.33721%0.206SC..PPolyproline II helixtrans-62.3119.9171.6-61.30000110T198 V250 V297T198-T295 HydrophobicContact CG2-CG2 3.7Å; V250-T295 HydrophobicContact CB-CG2 3.87Å; V250-T295 HydrophobicContact CG1-CG2 3.78Å; V250-T295 HydrophobicContact CG2-CG2 4.02Å; T295-V297 PolarHBondContact O-N 3.4Å
296P95.2Very high96.1Very high12 Ų1239.9 Ų39.98%0.07821%0.212CC..PPolyproline II helixtrans-65.9132.7177.2-12.222.8000111.2A289 A294A289-P296 HydrophobicContact CB-CG 3.84Å; A294-P296 VanDerWaalsContact O-CD 3.3Å; A294-P296 WeakPolarHBondContact O-CD 3.31Å
297V97.5Very high95.9Very high7 Ų740.8 Ų40.84%0.04223%0.228CC..PPolyproline II helixtrans-89.6125.6172.6-178.30000109.5V188 L199 V202 T295V188-V297 HydrophobicContact CG1-CB 4.2Å; V188-V297 HydrophobicContact CG1-CG1 4.13Å; L199-V297 HydrophobicContact CB-CG2 4.48Å; L199-V297 HydrophobicContact CD2-CG1 4.28Å; L199-V297 HydrophobicContact CD2-CG2 4.24Å; L199-V297 HydrophobicContact CG-CG1 4.29Å; L199-V297 HydrophobicContact CG-CG2 4.28Å; V202-V297 HydrophobicContact CB-CG1 3.98Å; V202-V297 HydrophobicContact CG2-CG1 3.57Å; T295-V297 PolarHBondContact O-N 3.4Å
298Q97.7Very high95.6Very high33 Ų3344.7 Ų44.715%0.15425%0.249CC..EExtended strand (participates in β ladder)trans-69.9135.1170.7-62.3174.178.400109.8T200 A201 V202 T249 V250 S252 L254T200-Q298 WeakPolarHBondContact O-CB 3.29Å; T200-Q298 PolarHBondContact O-N 3.07Å; A201-Q298 CarbonylContact C-O 3.45Å; A201-Q298 WeakPolarHBondContact CA-O 3.39Å; A201-Q298 HydrophobicContact CB-CB 4.24Å; V202-Q298 PolarHBondContact N-O 2.9Å; T249-Q298 HydrophobicContact CG2-CG 4.49Å; V250-Q298 PolarHBondContact O-NE2 3.46Å; S252-Q298 PolarHBondContact O-NE2 3.29Å; L254-Q298 HydrophobicContact CB-CB 3.94Å; L254-Q298 HydrophobicContact CD2-CB 4.26Å
299Y97.8Very high95.1Very high39 Ų3946.4 Ų46.415%0.15327%0.268CS..EExtended strand (participates in β ladder)trans-124.6130-174.5-176.5-124.4000112.7V188 V202 S204 D277 V281 A301 F365V188-Y299 HydrophobicContact CG2-CD2 3.73Å; V188-Y299 HydrophobicContact CG2-CE2 3.72Å; V188-Y299 HydrophobicContact CG2-CG 4.44Å; V202-Y299 HydrophobicContact CB-CD2 4.4Å; V202-Y299 HydrophobicContact CG1-CD2 4.11Å; V202-Y299 HydrophobicContact CG1-CE2 4.31Å; V202-Y299 WeakPolarHBondContact O-CA 3.19Å; S204-Y299 WeakPolarHBondContact OG-CE2 3.48Å; S204-Y299 VanDerWaalsContact OG-CZ 3.26Å; S204-Y299 PolarHBondContact OG-OH 3.49Å; D277-Y299 HydrophobicContact CB-CE1 4.1Å; V281-Y299 HydrophobicContact CB-CD1 3.59Å; V281-Y299 HydrophobicContact CB-CE1 3.9Å; V281-Y299 HydrophobicContact CB-CG 4.18Å; V281-Y299 HydrophobicContact CG1-CD1 3.61Å; V281-Y299 HydrophobicContact CG1-CD2 4.35Å; V281-Y299 HydrophobicContact CG1-CE1 4.25Å; V281-Y299 HydrophobicContact CG1-CG 3.66Å; V281-Y299 HydrophobicContact CG2-CD1 3.76Å; V281-Y299 HydrophobicContact CG2-CE1 3.53Å; V281-Y299 HydrophobicContact CG2-CG 4.41Å; Y299-A301 HydrophobicContact CE1-CB 3.72Å; Y299-F365 HydrophobicContact CE2-CE1 4.3Å
300G97.6Very high94.7Very high8 Ų848.7 Ų48.78%0.08228%0.277CS..EExtended strand (participates in β ladder)trans-121124.3168.600000110.1V202 E203 S204V202-G300 PolarHBondContact O-N 2.95Å; E203-G300 CarbonylContact C-O 3.59Å; E203-G300 VanDerWaalsContact CA-O 3.23Å; E203-G300 WeakPolarHBondContact CA-O 3.33Å; S204-G300 PolarHBondContact N-O 3.07Å
301A97.8Very high94.5Very high10 Ų1044 Ų448%0.08326%0.256CS..EExtended strand (participates in β ladder)trans-112.5134.3-17900000110.9F273 P278 Y299F273-A301 HydrophobicContact CB-CB 3.88Å; F273-A301 HydrophobicContact CD1-CB 4.47Å; F273-A301 PolarHBondContact N-O 2.94Å; P278-A301 HydrophobicContact CG-CB 4.01Å; Y299-A301 HydrophobicContact CE1-CB 3.72Å
302Y98.1Very high94.1Very high8 Ų842.3 Ų42.33%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-137.1154.3-179.2-50.2-80.7000110.8E203 S204 F205 L206 R257 F261 L271E203-Y302 HydrophobicContact CB-CD2 4.48Å; E203-Y302 HydrophobicContact CB-CE2 4.05Å; E203-Y302 HydrophobicContact CG-CE2 3.98Å; E203-Y302 WeakPolarHBondContact OE1-CE2 3.31Å; E203-Y302 PolarHBondContact OE1-OH 3.39Å; S204-Y302 WeakPolarHBondContact O-CD2 3.44Å; S204-Y302 PolarHBondContact O-N 2.71Å; F205-Y302 CarbonylContact C-O 3.36Å; F205-Y302 WeakPolarHBondContact CA-O 3.38Å; F205-Y302 HydrophobicContact CD1-CD2 4.39Å; F205-Y302 HydrophobicContact CD1-CG 4.46Å; F205-Y302 AromaticContact CE1-CD2 3.88Å; F205-Y302 HydrophobicContact CE1-CD2 3.88Å; F205-Y302 HydrophobicContact CE1-CG 4.08Å; F205-Y302 HydrophobicContact CE2-CD2 4.42Å; F205-Y302 AromaticContact CZ-CD2 3.89Å; F205-Y302 HydrophobicContact CZ-CD2 3.89Å; F205-Y302 HydrophobicContact CZ-CE2 4.44Å; L206-Y302 PolarHBondContact N-O 2.81Å; R257-Y302 HydrophobicContact CB-CD1 4.49Å; R257-Y302 HydrophobicContact CB-CE1 3.64Å; R257-Y302 HydrophobicContact CG-CE1 4.1Å; R257-Y302 HydrophobicContact CG-CE2 4.38Å; R257-Y302 WeakPolarHBondContact CG-OH 3.32Å; R257-Y302 PolarHBondContact N-OH 2.85Å; F261-Y302 AromaticContact CE1-CD1 3.64Å; F261-Y302 HydrophobicContact CE1-CD1 3.64Å; F261-Y302 AromaticContact CE1-CE1 3.97Å; F261-Y302 HydrophobicContact CE1-CE1 3.97Å; F261-Y302 HydrophobicContact CE1-CG 4.32Å; F261-Y302 AromaticContact CZ-CD1 3.66Å; F261-Y302 HydrophobicContact CZ-CD1 3.66Å; F261-Y302 HydrophobicContact CZ-CE1 4.11Å; F261-Y302 AromaticContact CZ-CG 3.89Å; F261-Y302 HydrophobicContact CZ-CG 3.89Å; L271-Y302 CarbonylContact O-C 3.12Å; L271-Y302 VanDerWaalsContact O-CA 3.26Å; L271-Y302 WeakPolarHBondContact O-CA 3.32Å
303A96.9Very high93.7Very high16 Ų1647.6 Ų47.613%0.13227%0.269CS..EExtended strand (participates in β ladder)trans-120.7131.117300000109.6L206 A270 L271 F273L206-A303 CarbonylContact O-C 3.55Å; L206-A303 WeakPolarHBondContact O-CA 3.29Å; A270-A303 WeakPolarHBondContact CA-O 3.2Å; L271-A303 HydrophobicContact CD1-CB 4.45Å; L271-A303 PolarHBondContact N-O 3.12Å; L271-A303 PolarHBondContact O-N 3.33Å; F273-A303 HydrophobicContact CD2-CB 4.22Å
304G96.5Very high93.3Very high17 Ų1742.4 Ų42.418%0.17525%0.247CC..EExtended strand (participates in β ladder)trans-71.4139.8167.900000110.4L206 Y269L206-G304 PolarHBondContact O-N 3.3Å; Y269-G304 WeakPolarHBondContact O-CA 3.45Å
305V93.9Very high93Very high22 Ų2247 Ų4713%0.13327%0.265CS..EExtended strand (participates in β ladder)trans-123.610.7179.7-63.70000112.2Y269 L271 N310 I311 L314Y269-V305 WeakPolarHBondContact O-CG2 3.16Å; Y269-V305 PolarHBondContact O-N 3.32Å; L271-V305 HydrophobicContact CD2-CG1 3.49Å; L271-V305 VanDerWaalsContact CD2-CG1 3.49Å; L271-V305 HydrophobicContact CD2-CG2 4.45Å; L271-V305 HydrophobicContact CG-CG1 3.96Å; V305-N310 WeakPolarHBondContact O-CB 3.26Å; V305-N310 PolarHBondContact O-ND2 3.13Å; V305-I311 HydrophobicContact CG2-CG1 4.07Å; V305-L314 HydrophobicContact CB-CD1 3.68Å; V305-L314 HydrophobicContact CG1-CD1 3.57Å; V305-L314 HydrophobicContact CG2-CD1 4.37Å
306G93.3Very high92.7Very high15 Ų1550.6 Ų50.616%0.15528%0.276CS..EExtended strand (participates in β ladder)trans73.5-141.7-177.100000113.7E268 Y269E268-G306 WeakPolarHBondContact OE2-CA 3.32Å; E268-G306 PolarHBondContact OE2-N 3.34Å; Y269-G306 WeakPolarHBondContact CB-O 3.21Å; Y269-G306 PolarHBondContact N-O 3.07Å
307G93.3Very high92.3Very high42 Ų4250.9 Ų50.943%0.43328%0.279SS..SBendtrans-86.4178.8-173.900000114.9G309 N310 I311G307-G309 PolarHBondContact O-N 3.03Å; G307-G309 VanDerWaalsContact O-N 3.15Å; G307-N310 PolarHBondContact O-N 3.18Å; G307-I311 PolarHBondContact O-N 2.89Å
308I90.3Very high91.8Very high110 Ų11052.3 Ų52.356%0.56430%0.296SS*.Hα-helixtrans-59.5-30.8-174.5-157162.2000114.1N310 I311 I312I308-N310 VanDerWaalsContact C-N 3.34Å; I308-N310 PolarHBondContact O-N 3.19Å; I308-I311 HydrophobicContact CG1-CD1 4.38Å; I308-I311 WeakPolarHBondContact O-CB 3.5Å; I308-I311 PolarHBondContact O-N 3.06Å; I308-I312 WeakPolarHBondContact O-CG1 3.21Å; I308-I312 PolarHBondContact O-N 3.23Å; I308-I312 VanDerWaalsContact O-N 3.17Å
309G88.4Confident91.5Very high40 Ų4055.9 Ų55.941%0.41231%0.313SS..Hα-helixtrans-62.9-38176.200000113.3G307 R313G307-G309 PolarHBondContact O-N 3.03Å; G307-G309 VanDerWaalsContact O-N 3.15Å; G309-R313 WeakPolarHBondContact O-CG 3.09Å; G309-R313 PolarHBondContact O-N 3.37Å
310N87.9Confident91.1Very high70 Ų7056.3 Ų56.337%0.37432%0.318SS..Hα-helixtrans-70.3-36.2176.5-74-13000111.7V305 G307 I308 I312 R313 L314V305-N310 WeakPolarHBondContact O-CB 3.26Å; V305-N310 PolarHBondContact O-ND2 3.13Å; G307-N310 PolarHBondContact O-N 3.18Å; I308-N310 VanDerWaalsContact C-N 3.34Å; I308-N310 PolarHBondContact O-N 3.19Å; N310-I312 VanDerWaalsContact C-N 3.34Å; N310-I312 PolarHBondContact O-N 3.25Å; N310-R313 PolarHBondContact O-N 3.33Å; N310-L314 WeakPolarHBondContact O-CB 3.46Å; N310-L314 WeakPolarHBondContact O-CG 3.15Å; N310-L314 PolarHBondContact O-N 3.36Å
311I89.3Confident90.8Very high14 Ų1457 Ų577%0.07232%0.318CS..Hα-helixtrans-58.9-47.7175.8-59.2166.7000110.3L260 Y269 V305 G307 I308 R313 L314 M315L260-I311 HydrophobicContact CD1-CD1 4.13Å; L260-I311 HydrophobicContact CD1-CG1 4.29Å; L260-I311 HydrophobicContact CD1-CG2 4.39Å; L260-I311 HydrophobicContact CD2-CD1 4.22Å; L260-I311 HydrophobicContact CD2-CG2 3.72Å; Y269-I311 HydrophobicContact CD1-CD1 3.55Å; Y269-I311 HydrophobicContact CD2-CD1 3.59Å; Y269-I311 HydrophobicContact CE1-CD1 4.09Å; Y269-I311 HydrophobicContact CE2-CD1 4.14Å; Y269-I311 HydrophobicContact CG-CD1 3.25Å; Y269-I311 HydrophobicContact CG-CG1 4.33Å; V305-I311 HydrophobicContact CG2-CG1 4.07Å; G307-I311 PolarHBondContact O-N 2.89Å; I308-I311 HydrophobicContact CG1-CD1 4.38Å; I308-I311 WeakPolarHBondContact O-CB 3.5Å; I308-I311 PolarHBondContact O-N 3.06Å; I311-R313 VanDerWaalsContact C-N 3.33Å; I311-R313 PolarHBondContact O-N 3.26Å; I311-L314 PolarHBondContact O-N 2.66Å; I311-M315 HydrophobicContact CG2-CG 4.28Å; I311-M315 HydrophobicContact CG2-SD 4.06Å; I311-M315 WeakPolarHBondContact O-CB 3.11Å; I311-M315 WeakPolarHBondContact O-CG 3.44Å; I311-M315 PolarHBondContact O-N 3.01Å
312I87.9Confident90.5Very high91 Ų9163.4 Ų63.447%0.46734%0.34SS..Hα-helixtrans-58.6-47.5179.6-65.8167.8000110I308 N310 L314 M315 F316I308-I312 WeakPolarHBondContact O-CG1 3.21Å; I308-I312 PolarHBondContact O-N 3.23Å; I308-I312 VanDerWaalsContact O-N 3.17Å; N310-I312 VanDerWaalsContact C-N 3.34Å; N310-I312 PolarHBondContact O-N 3.25Å; I312-L314 PolarHBondContact O-N 2.78Å; I312-M315 PolarHBondContact O-N 2.96Å; I312-F316 HydrophobicContact CG2-CD2 3.87Å; I312-F316 HydrophobicContact CG2-CE2 3.76Å; I312-F316 VanDerWaalsContact O-CD2 3.25Å; I312-F316 WeakPolarHBondContact O-CD2 3.37Å; I312-F316 PolarHBondContact O-N 2.88Å; I312-F316 VanDerWaalsContact O-N 3.12Å
313R86.1Confident90.2Very high179 Ų17967.2 Ų67.268%0.67536%0.361SS*.Hα-helixtrans-58.8-47176.8-67.9175.1-175.9170-0.7112G309 N310 I311 M315 F316 A317G309-R313 WeakPolarHBondContact O-CG 3.09Å; G309-R313 PolarHBondContact O-N 3.37Å; N310-R313 PolarHBondContact O-N 3.33Å; I311-R313 VanDerWaalsContact C-N 3.33Å; I311-R313 PolarHBondContact O-N 3.26Å; R313-M315 VanDerWaalsContact C-N 3.34Å; R313-M315 PolarHBondContact O-N 3.19Å; R313-F316 PolarHBondContact O-N 3.16Å; R313-A317 WeakPolarHBondContact O-CB 3.42Å; R313-A317 PolarHBondContact O-N 3.49Å
314L86.6Confident90.1Very high72 Ų7267.4 Ų67.438%0.37736%0.359SS..Hα-helixtrans-64.5-36.5178.8-75172.5000112.5V305 N310 I311 I312 G318V305-L314 HydrophobicContact CB-CD1 3.68Å; V305-L314 HydrophobicContact CG1-CD1 3.57Å; V305-L314 HydrophobicContact CG2-CD1 4.37Å; N310-L314 WeakPolarHBondContact O-CB 3.46Å; N310-L314 WeakPolarHBondContact O-CG 3.15Å; N310-L314 PolarHBondContact O-N 3.36Å; I311-L314 PolarHBondContact O-N 2.66Å; I312-L314 PolarHBondContact O-N 2.78Å; L314-G318 WeakPolarHBondContact O-CA 3.34Å; L314-G318 PolarHBondContact O-N 2.97Å
315M87.6Confident89.9Confident127 Ų12766.9 Ų66.963%0.62635%0.353SS*.Hα-helixtrans-64.6-45.8176.1-75.6-177.667.200111.5I311 I312 R313 M319I311-M315 HydrophobicContact CG2-CG 4.28Å; I311-M315 HydrophobicContact CG2-SD 4.06Å; I311-M315 WeakPolarHBondContact O-CB 3.11Å; I311-M315 WeakPolarHBondContact O-CG 3.44Å; I311-M315 PolarHBondContact O-N 3.01Å; I312-M315 PolarHBondContact O-N 2.96Å; R313-M315 VanDerWaalsContact C-N 3.34Å; R313-M315 PolarHBondContact O-N 3.19Å; M315-M319 VanDerWaalsContact O-CB 3.25Å; M315-M319 WeakPolarHBondContact O-CB 3.45Å; M315-M319 PolarHBondContact O-N 2.96Å
316F86.8Confident89.7Confident130 Ų13071.3 Ų71.357%0.5737%0.37SS*.Hα-helixtrans-64.1-47.7176.2-81.6-73.1000111.9I312 R313 M319 M320I312-F316 HydrophobicContact CG2-CD2 3.87Å; I312-F316 HydrophobicContact CG2-CE2 3.76Å; I312-F316 VanDerWaalsContact O-CD2 3.25Å; I312-F316 WeakPolarHBondContact O-CD2 3.37Å; I312-F316 PolarHBondContact O-N 2.88Å; I312-F316 VanDerWaalsContact O-N 3.12Å; R313-F316 PolarHBondContact O-N 3.16Å; F316-M319 HydrophobicContact CD1-CE 4.23Å; F316-M319 PolarHBondContact O-N 3.19Å; F316-M320 WeakPolarHBondContact O-CB 3.48Å; F316-M320 PolarHBondContact O-N 2.88Å
317A86.6Confident89.7Confident19 Ų1975.8 Ų75.816%0.15739%0.386CS..Hα-helixtrans-60.4-46.517700000111.8R313 M320 F321 F343R313-A317 WeakPolarHBondContact O-CB 3.42Å; R313-A317 PolarHBondContact O-N 3.49Å; A317-M320 PolarHBondContact O-N 3.01Å; A317-F321 VanDerWaalsContact O-CB 3.3Å; A317-F321 WeakPolarHBondContact O-CB 3.28Å; A317-F321 PolarHBondContact O-N 3.29Å; A317-F343 HydrophobicContact CB-CD2 4.01Å; A317-F343 HydrophobicContact CB-CE2 3.71Å
318G88.5Confident89.7Confident37 Ų3775.3 Ų75.338%0.38138%0.381SS..Hα-helixtrans-65.6-39.7-18000000113L314 F321 W322L314-G318 WeakPolarHBondContact O-CA 3.34Å; L314-G318 PolarHBondContact O-N 2.97Å; G318-F321 PolarHBondContact O-N 2.67Å; G318-W322 VanDerWaalsContact O-CB 3.23Å; G318-W322 WeakPolarHBondContact O-CB 3.32Å; G318-W322 PolarHBondContact O-N 3.35Å
319M89.8Confident89.9Confident107 Ų10777.9 Ų77.953%0.52738%0.384SS..Hα-helixtrans-64.1-46.8174.9-178.817665.400111.4M315 F316 W322 L323M315-M319 VanDerWaalsContact O-CB 3.25Å; M315-M319 WeakPolarHBondContact O-CB 3.45Å; M315-M319 PolarHBondContact O-N 2.96Å; F316-M319 HydrophobicContact CD1-CE 4.23Å; F316-M319 PolarHBondContact O-N 3.19Å; M319-W322 PolarHBondContact O-N 3.23Å; M319-L323 HydrophobicContact CG-CD1 4.18Å; M319-L323 WeakPolarHBondContact O-CG 3.27Å; M319-L323 PolarHBondContact O-N 3.25Å
320M89.8Confident90.3Very high49 Ų4976 Ų7624%0.24136%0.364CS..Hα-helixtrans-60.9-46.9176.7178.8174.758.900111.3F316 A317 W322 L323 L324 F341 F343F316-M320 WeakPolarHBondContact O-CB 3.48Å; F316-M320 PolarHBondContact O-N 2.88Å; A317-M320 PolarHBondContact O-N 3.01Å; M320-W322 PolarHBondContact O-N 2.99Å; M320-L323 PolarHBondContact O-N 2.9Å; M320-L324 HydrophobicContact CG-CD1 3.94Å; M320-L324 WeakPolarHBondContact O-CG 3.22Å; M320-L324 PolarHBondContact O-N 2.74Å; M320-L324 VanDerWaalsContact O-N 3.1Å; M320-F341 HydrophobicContact CE-CB 4.42Å; M320-F341 HydrophobicContact CE-CD1 3.61Å; M320-F341 HydrophobicContact CE-CE1 4.34Å; M320-F341 HydrophobicContact CE-CG 4.47Å; M320-F341 HydrophobicContact CG-CD1 4.04Å; M320-F341 HydrophobicContact CG-CE1 4.2Å; M320-F341 HydrophobicContact SD-CD1 3.5Å; M320-F341 VanDerWaalsContact SD-CD1 3.5Å; M320-F341 HydrophobicContact SD-CE1 3.63Å; M320-F343 HydrophobicContact CE-CE2 4.04Å; M320-F343 HydrophobicContact CE-CZ 4.32Å
321F91.8Very high90.6Very high22 Ų2276.2 Ų76.210%0.09636%0.36CS..Hα-helixtrans-57.6-49.2175.5179.3-90.3000111.7W222 I226 F229 A317 G318 L323 L324 V325 L334W222-F321 AromaticContact CH2-CD2 3.46Å; W222-F321 HydrophobicContact CH2-CD2 3.46Å; W222-F321 VanDerWaalsContact CH2-CD2 3.46Å; W222-F321 AromaticContact CH2-CE2 3.84Å; W222-F321 HydrophobicContact CH2-CE2 3.84Å; W222-F321 AromaticContact CZ2-CD2 3.81Å; W222-F321 HydrophobicContact CZ2-CD2 3.81Å; W222-F321 HydrophobicContact CZ2-CE2 4.07Å; W222-F321 HydrophobicContact CZ3-CD2 4.07Å; W222-F321 HydrophobicContact CZ3-CE2 4.09Å; I226-F321 HydrophobicContact CG1-CE2 3.61Å; I226-F321 HydrophobicContact CG1-CZ 4.08Å; F229-F321 HydrophobicContact CB-CE1 4.06Å; F229-F321 HydrophobicContact CB-CZ 4.49Å; F229-F321 AromaticContact CD2-CE1 3.67Å; F229-F321 HydrophobicContact CD2-CE1 3.67Å; F229-F321 HydrophobicContact CD2-CZ 4Å; F229-F321 HydrophobicContact CE2-CE1 4.26Å; F229-F321 AromaticContact CG-CE1 3.85Å; F229-F321 HydrophobicContact CG-CE1 3.85Å; F229-F321 HydrophobicContact CG-CZ 4.46Å; A317-F321 VanDerWaalsContact O-CB 3.3Å; A317-F321 WeakPolarHBondContact O-CB 3.28Å; A317-F321 PolarHBondContact O-N 3.29Å; G318-F321 PolarHBondContact O-N 2.67Å; F321-L323 VanDerWaalsContact C-N 3.32Å; F321-L323 PolarHBondContact O-N 2.62Å; F321-L324 PolarHBondContact O-N 3.08Å; F321-V325 HydrophobicContact CE1-CB 4.29Å; F321-V325 HydrophobicContact CE1-CG1 4.38Å; F321-V325 HydrophobicContact CE1-CG2 4.33Å; F321-V325 HydrophobicContact CZ-CG2 4.31Å; F321-V325 WeakPolarHBondContact O-CB 3.22Å; F321-V325 WeakPolarHBondContact O-CG1 3.47Å; F321-V325 PolarHBondContact O-N 3.04Å; F321-L334 HydrophobicContact CD2-CD1 3.97Å; F321-L334 HydrophobicContact CD2-CD2 4.26Å; F321-L334 HydrophobicContact CE2-CD1 4.18Å
322W90.6Very high90.9Very high144 Ų14480.5 Ų80.555%0.54538%0.383SS..Hα-helixtrans-63.6-33.8-178.3-178.783.9000113.5G318 M319 M320 K326G318-W322 VanDerWaalsContact O-CB 3.23Å; G318-W322 WeakPolarHBondContact O-CB 3.32Å; G318-W322 PolarHBondContact O-N 3.35Å; M319-W322 PolarHBondContact O-N 3.23Å; M320-W322 PolarHBondContact O-N 2.99Å; W322-K326 VanDerWaalsContact CE2-CE 3.47Å
323L92.6Very high91.2Very high88 Ų8878.9 Ų78.946%0.46138%0.375SS..Hα-helixtrans-70.5-44.8174.9-71.2167.2000111.4M319 M320 F321 F327M319-L323 HydrophobicContact CG-CD1 4.18Å; M319-L323 WeakPolarHBondContact O-CG 3.27Å; M319-L323 PolarHBondContact O-N 3.25Å; M320-L323 PolarHBondContact O-N 2.9Å; F321-L323 VanDerWaalsContact C-N 3.32Å; F321-L323 PolarHBondContact O-N 2.62Å; L323-F327 WeakPolarHBondContact O-CD2 3.33Å; L323-F327 WeakPolarHBondContact O-CE2 3.33Å
324L93.9Very high91.7Very high20 Ų2070.4 Ų70.411%0.10534%0.343CS..Hα-helixtrans-75.3-36.8-175.3-69.1173.1000113.1M320 F321 K326 F327 W329 G330 R331 L334 F341M320-L324 HydrophobicContact CG-CD1 3.94Å; M320-L324 WeakPolarHBondContact O-CG 3.22Å; M320-L324 PolarHBondContact O-N 2.74Å; M320-L324 VanDerWaalsContact O-N 3.1Å; F321-L324 PolarHBondContact O-N 3.08Å; L324-K326 PolarHBondContact O-N 3.07Å; L324-K326 VanDerWaalsContact O-N 3.12Å; L324-F327 PolarHBondContact O-N 2.94Å; L324-F327 VanDerWaalsContact O-N 3.16Å; L324-W329 HydrophobicContact CD2-CH2 3.8Å; L324-W329 HydrophobicContact CD2-CZ3 3.79Å; L324-G330 CarbonylContact O-C 3.58Å; L324-G330 WeakPolarHBondContact O-CA 3.45Å; L324-R331 PolarHBondContact O-N 2.6Å; L324-L334 HydrophobicContact CB-CD1 3.82Å; L324-L334 HydrophobicContact CB-CD2 4.19Å; L324-L334 HydrophobicContact CB-CG 3.93Å; L324-L334 HydrophobicContact CD1-CD2 3.77Å; L324-L334 HydrophobicContact CD1-CG 4.18Å; L324-F341 HydrophobicContact CD1-CD1 3.75Å; L324-F341 HydrophobicContact CD1-CE1 3.41Å; L324-F341 VanDerWaalsContact CD1-CE1 3.41Å; L324-F341 HydrophobicContact CD1-CZ 4.15Å
325V93.6Very high92Very high7 Ų768.5 Ų68.54%0.04233%0.333CS..Hα-helixtrans-62.8-23.1-174.974.30000113.3I226 F229 A230 F321 F327 R331 L334I226-V325 HydrophobicContact CG2-CG2 4.14Å; I226-V325 WeakPolarHBondContact O-CG2 3.46Å; F229-V325 HydrophobicContact CB-CG2 4.09Å; A230-V325 HydrophobicContact CB-CG2 4.14Å; F321-V325 HydrophobicContact CE1-CB 4.29Å; F321-V325 HydrophobicContact CE1-CG1 4.38Å; F321-V325 HydrophobicContact CE1-CG2 4.33Å; F321-V325 HydrophobicContact CZ-CG2 4.31Å; F321-V325 WeakPolarHBondContact O-CB 3.22Å; F321-V325 WeakPolarHBondContact O-CG1 3.47Å; F321-V325 PolarHBondContact O-N 3.04Å; V325-F327 VanDerWaalsContact C-N 3.3Å; V325-F327 PolarHBondContact O-N 2.95Å; V325-R331 HydrophobicContact CG2-CG 4.32Å; V325-R331 VanDerWaalsContact O-CD 3.3Å; V325-R331 WeakPolarHBondContact O-CD 3.26Å; V325-R331 VanDerWaalsContact O-CG 3.24Å; V325-R331 WeakPolarHBondContact O-CG 3.4Å; V325-L334 HydrophobicContact CB-CD1 4.28Å
326K89.9Confident92.4Very high114 Ų11468.2 Ų68.250%0.49633%0.328SS..THydrogen-bonded Turntrans-71.2-22.4179.5-67.6179.4-178.1-179.40113.9W322 L324W322-K326 VanDerWaalsContact CE2-CE 3.47Å; L324-K326 PolarHBondContact O-N 3.07Å; L324-K326 VanDerWaalsContact O-N 3.12Å
327F92.5Very high92.8Very high109 Ų10967.1 Ų67.148%0.47832%0.321SS..SBendtrans-113.3143.6-174.2-55.4-78.2000111L323 L324 V325 W329 G330 R331L323-F327 WeakPolarHBondContact O-CD2 3.33Å; L323-F327 WeakPolarHBondContact O-CE2 3.33Å; L324-F327 PolarHBondContact O-N 2.94Å; L324-F327 VanDerWaalsContact O-N 3.16Å; V325-F327 VanDerWaalsContact C-N 3.3Å; V325-F327 PolarHBondContact O-N 2.95Å; F327-W329 VanDerWaalsContact C-N 3.35Å; F327-W329 HydrophobicContact CB-CG 4.39Å; F327-W329 AromaticContact CG-NE1 3.85Å; F327-W329 PolarHBondContact O-N 3.03Å; F327-G330 PolarHBondContact O-N 2.97Å; F327-R331 WeakPolarHBondContact O-CG 3.26Å; F327-R331 PolarHBondContact O-N 2.97Å
328G92.8Very high93.1Very high33 Ų3366.4 Ų66.434%0.3432%0.315SS..Hα-helixtrans-56.6-46.2177.500000112.9G330 R331 N332G328-G330 VanDerWaalsContact C-N 3.34Å; G328-G330 PolarHBondContact O-N 3.07Å; G328-R331 PolarHBondContact O-N 2.85Å; G328-N332 VanDerWaalsContact O-CG 3.32Å; G328-N332 PolarHBondContact O-N 2.79Å
329W95.6Very high93.4Very high164 Ų16469.7 Ų69.762%0.62132%0.32SS*.Hα-helixtrans-65.4-36.5177.468.8-97000112.5L324 F327 N332 L333L324-W329 HydrophobicContact CD2-CH2 3.8Å; L324-W329 HydrophobicContact CD2-CZ3 3.79Å; F327-W329 VanDerWaalsContact C-N 3.35Å; F327-W329 HydrophobicContact CB-CG 4.39Å; F327-W329 AromaticContact CG-NE1 3.85Å; F327-W329 PolarHBondContact O-N 3.03Å; W329-N332 PolarHBondContact O-N 2.8Å; W329-L333 PolarHBondContact O-N 3.33Å
330G95.4Very high93.5Very high0 Ų071.5 Ų71.50%033%0.326CS..Hα-helixtrans-68.1-42.5177.800000111.7L324 F327 G328 N332 L333 L334L324-G330 CarbonylContact O-C 3.58Å; L324-G330 WeakPolarHBondContact O-CA 3.45Å; F327-G330 PolarHBondContact O-N 2.97Å; G328-G330 VanDerWaalsContact C-N 3.34Å; G328-G330 PolarHBondContact O-N 3.07Å; G330-N332 VanDerWaalsContact C-N 3.35Å; G330-N332 PolarHBondContact O-N 2.7Å; G330-L333 WeakPolarHBondContact O-CB 2.94Å; G330-L333 PolarHBondContact O-N 3.38Å; G330-L333 VanDerWaalsContact O-N 3.14Å; G330-L334 WeakPolarHBondContact O-CG 3.31Å; G330-L334 PolarHBondContact O-N 3.07Å
331R94.9Very high93.6Very high74 Ų7470 Ų7028%0.27932%0.318SS..Hα-helixtrans-57.9-45.5170.5-68.9-175.9-70.1170.9-1.6111.8I226 L324 V325 F327 G328 L333 L334 I335I226-R331 HydrophobicContact CG2-CB 4.02Å; I226-R331 HydrophobicContact CG2-CG 3.77Å; L324-R331 PolarHBondContact O-N 2.6Å; V325-R331 HydrophobicContact CG2-CG 4.32Å; V325-R331 VanDerWaalsContact O-CD 3.3Å; V325-R331 WeakPolarHBondContact O-CD 3.26Å; V325-R331 VanDerWaalsContact O-CG 3.24Å; V325-R331 WeakPolarHBondContact O-CG 3.4Å; F327-R331 WeakPolarHBondContact O-CG 3.26Å; F327-R331 PolarHBondContact O-N 2.97Å; G328-R331 PolarHBondContact O-N 2.85Å; R331-L333 PolarHBondContact O-N 3.05Å; R331-L334 PolarHBondContact O-N 3Å; R331-I335 VanDerWaalsContact O-CG1 3.25Å; R331-I335 WeakPolarHBondContact O-CG1 3.32Å; R331-I335 PolarHBondContact O-N 2.85Å
332N94.8Very high93.5Very high105 Ų10569.6 Ų69.656%0.56132%0.318SS*.Hα-helixtrans-59.6-37.2176.5-70.6-15.1000112.1G328 W329 G330 K336G328-N332 VanDerWaalsContact O-CG 3.32Å; G328-N332 PolarHBondContact O-N 2.79Å; W329-N332 PolarHBondContact O-N 2.8Å; G330-N332 VanDerWaalsContact C-N 3.35Å; G330-N332 PolarHBondContact O-N 2.7Å; N332-K336 WeakPolarHBondContact O-CB 3.2Å; N332-K336 PolarHBondContact O-N 2.85Å
333L95.8Very high93.4Very high57 Ų5769.8 Ų69.830%0.29832%0.322SS..Hα-helixtrans-67.6-46.6177.3-166.968.9000111.8W329 G330 R331 I335 K336 Y337 F341W329-L333 PolarHBondContact O-N 3.33Å; G330-L333 WeakPolarHBondContact O-CB 2.94Å; G330-L333 PolarHBondContact O-N 3.38Å; G330-L333 VanDerWaalsContact O-N 3.14Å; R331-L333 PolarHBondContact O-N 3.05Å; L333-I335 VanDerWaalsContact C-N 3.3Å; L333-I335 PolarHBondContact O-N 3.33Å; L333-K336 PolarHBondContact O-N 3.48Å; L333-Y337 HydrophobicContact CD1-CD2 3.7Å; L333-Y337 HydrophobicContact CD1-CE2 3.75Å; L333-Y337 HydrophobicContact CG-CD2 4.41Å; L333-Y337 PolarHBondContact O-N 2.85Å; L333-Y337 VanDerWaalsContact O-N 3.09Å; L333-F341 HydrophobicContact CD1-CE2 4.35Å; L333-F341 HydrophobicContact CD2-CE1 4.29Å; L333-F341 HydrophobicContact CD2-CE2 3.92Å; L333-F341 HydrophobicContact CD2-CZ 3.41Å; L333-F341 VanDerWaalsContact CD2-CZ 3.41Å; L333-F341 HydrophobicContact CG-CE2 3.55Å; L333-F341 HydrophobicContact CG-CZ 3.62Å
334L94.8Very high93.2Very high0 Ų067.6 Ų67.60%032%0.321CS..Hα-helixtrans-58.4-40.7175.5-66.6171.8000111.8W222 I226 F321 L324 V325 G330 R331 F341W222-L334 HydrophobicContact CZ2-CD2 4.02Å; W222-L334 PolarHBondContact NE1-O 2.97Å; I226-L334 HydrophobicContact CD1-CB 3.52Å; I226-L334 HydrophobicContact CD1-CD1 4.39Å; I226-L334 HydrophobicContact CG1-CB 4.22Å; I226-L334 HydrophobicContact CG1-CD1 4.19Å; F321-L334 HydrophobicContact CD2-CD1 3.97Å; F321-L334 HydrophobicContact CD2-CD2 4.26Å; F321-L334 HydrophobicContact CE2-CD1 4.18Å; L324-L334 HydrophobicContact CB-CD1 3.82Å; L324-L334 HydrophobicContact CB-CD2 4.19Å; L324-L334 HydrophobicContact CB-CG 3.93Å; L324-L334 HydrophobicContact CD1-CD2 3.77Å; L324-L334 HydrophobicContact CD1-CG 4.18Å; V325-L334 HydrophobicContact CB-CD1 4.28Å; G330-L334 WeakPolarHBondContact O-CG 3.31Å; G330-L334 PolarHBondContact O-N 3.07Å; R331-L334 PolarHBondContact O-N 3Å; L334-F341 HydrophobicContact CD2-CB 3.72Å; L334-F341 HydrophobicContact CD2-CD1 3.8Å; L334-F341 HydrophobicContact CD2-CD2 4.33Å; L334-F341 HydrophobicContact CD2-CG 3.67Å
335I94.3Very high93Very high32 Ų3270.6 Ų70.616%0.16434%0.335CS..Hα-helixtrans-71.8-39.4178.3-66.1167.7000111.4Q223 I226 Y227 R331 L333 P338Q223-I335 HydrophobicContact CG-CG1 4.34Å; Q223-I335 HydrophobicContact CG-CG2 4.4Å; I226-I335 HydrophobicContact CD1-CG1 3.67Å; Y227-I335 HydrophobicContact CE2-CD1 3.84Å; Y227-I335 WeakPolarHBondContact OH-CD1 3.39Å; R331-I335 VanDerWaalsContact O-CG1 3.25Å; R331-I335 WeakPolarHBondContact O-CG1 3.32Å; R331-I335 PolarHBondContact O-N 2.85Å; L333-I335 VanDerWaalsContact C-N 3.3Å; L333-I335 PolarHBondContact O-N 3.33Å; I335-P338 WeakPolarHBondContact O-CD 3.41Å
336K95.3Very high93Very high122 Ų12271.4 Ų71.453%0.5334%0.338SS..Hα-helixtrans-69.7-37.1-176-170.9173.4179.3-1680111.9N332 L333 P338 K348N332-K336 WeakPolarHBondContact O-CB 3.2Å; N332-K336 PolarHBondContact O-N 2.85Å; L333-K336 PolarHBondContact O-N 3.48Å; K336-P338 VanDerWaalsContact C-CD 3.47Å; K336-P338 WeakPolarHBondContact O-CD 3.49Å; K336-K348 PolarHBondContact O-NZ 3.41Å
337Y94.8Very high93.3Very high107 Ų10766.5 Ų66.542%0.4232%0.318SS..  trans-125.659.9-173.8-53.7-75.4000113L333 E339 F340 F341L333-Y337 HydrophobicContact CD1-CD2 3.7Å; L333-Y337 HydrophobicContact CD1-CE2 3.75Å; L333-Y337 HydrophobicContact CG-CD2 4.41Å; L333-Y337 PolarHBondContact O-N 2.85Å; L333-Y337 VanDerWaalsContact O-N 3.09Å; Y337-E339 VanDerWaalsContact C-N 3.31Å; Y337-E339 PolarHBondContact O-N 3.15Å; Y337-F340 PolarHBondContact O-N 3.32Å; Y337-F341 WeakPolarHBondContact O-CD2 3.45Å; Y337-F341 PolarHBondContact O-N 3.06Å
338P93.9Very high93.4Very high4 Ų466.5 Ų66.53%0.02632%0.318CS..Hα-helixtrans-59.9-41.1-174.225.1-33.6000112.1D219 W222 I335 K336 F340 F341 S342 F346 K348D219-P338 HydrophobicContact CB-CB 4.28Å; D219-P338 HydrophobicContact CB-CG 4.11Å; W222-P338 HydrophobicContact CG-CB 4.35Å; I335-P338 WeakPolarHBondContact O-CD 3.41Å; K336-P338 VanDerWaalsContact C-CD 3.47Å; K336-P338 WeakPolarHBondContact O-CD 3.49Å; P338-F340 VanDerWaalsContact C-N 3.32Å; P338-F340 PolarHBondContact O-N 2.92Å; P338-F341 PolarHBondContact O-N 2.75Å; P338-S342 WeakPolarHBondContact O-CB 3.13Å; P338-S342 PolarHBondContact O-N 3.03Å; P338-S342 PolarHBondContact O-OG 2.97Å; P338-F346 CarbonylContact C-O 3.38Å; P338-F346 HydrophobicContact CB-CB 4.33Å; P338-K348 HydrophobicContact CG-CG 4.04Å
339E93.5Very high93.4Very high105 Ų10568.5 Ų68.549%0.49133%0.331SS..Hα-helixtrans-61.1-40.7-179.1-67.8164.4-148.600112.1Y337 F343 G344 F346 S347Y337-E339 VanDerWaalsContact C-N 3.31Å; Y337-E339 PolarHBondContact O-N 3.15Å; E339-F343 PolarHBondContact O-N 2.81Å; E339-F343 VanDerWaalsContact O-N 3.11Å; E339-G344 PolarHBondContact O-N 3.04Å; E339-F346 WeakPolarHBondContact CA-O 3.39Å; E339-F346 VanDerWaalsContact CG-O 3.31Å; E339-F346 WeakPolarHBondContact CG-O 3.38Å; E339-F346 PolarHBondContact N-O 2.95Å; E339-F346 VanDerWaalsContact N-O 3.15Å; E339-S347 WeakPolarHBondContact OE1-CB 3.27Å
340F92.6Very high93.4Very high146 Ų14661 Ų6164%0.6431%0.305SS*.Hα-helixtrans-68.3-50.9178.5-179.7-95.6000111.4Y337 P338 S342 F343Y337-F340 PolarHBondContact O-N 3.32Å; P338-F340 VanDerWaalsContact C-N 3.32Å; P338-F340 PolarHBondContact O-N 2.92Å; F340-S342 VanDerWaalsContact C-N 3.26Å; F340-S342 PolarHBondContact O-N 2.83Å; F340-F343 PolarHBondContact O-N 2.95Å
341F91.6Very high93.4Very high18 Ų1861.5 Ų61.58%0.07931%0.308CS..Hα-helixtrans-75.1-15.4-175.3-74.5-76.1000114W222 M320 L324 L333 L334 Y337 P338W222-F341 HydrophobicContact CZ2-CB 4.03Å; M320-F341 HydrophobicContact CE-CB 4.42Å; M320-F341 HydrophobicContact CE-CD1 3.61Å; M320-F341 HydrophobicContact CE-CE1 4.34Å; M320-F341 HydrophobicContact CE-CG 4.47Å; M320-F341 HydrophobicContact CG-CD1 4.04Å; M320-F341 HydrophobicContact CG-CE1 4.2Å; M320-F341 HydrophobicContact SD-CD1 3.5Å; M320-F341 VanDerWaalsContact SD-CD1 3.5Å; M320-F341 HydrophobicContact SD-CE1 3.63Å; L324-F341 HydrophobicContact CD1-CD1 3.75Å; L324-F341 HydrophobicContact CD1-CE1 3.41Å; L324-F341 VanDerWaalsContact CD1-CE1 3.41Å; L324-F341 HydrophobicContact CD1-CZ 4.15Å; L333-F341 HydrophobicContact CD1-CE2 4.35Å; L333-F341 HydrophobicContact CD2-CE1 4.29Å; L333-F341 HydrophobicContact CD2-CE2 3.92Å; L333-F341 HydrophobicContact CD2-CZ 3.41Å; L333-F341 VanDerWaalsContact CD2-CZ 3.41Å; L333-F341 HydrophobicContact CG-CE2 3.55Å; L333-F341 HydrophobicContact CG-CZ 3.62Å; L334-F341 HydrophobicContact CD2-CB 3.72Å; L334-F341 HydrophobicContact CD2-CD1 3.8Å; L334-F341 HydrophobicContact CD2-CD2 4.33Å; L334-F341 HydrophobicContact CD2-CG 3.67Å; Y337-F341 WeakPolarHBondContact O-CD2 3.45Å; Y337-F341 PolarHBondContact O-N 3.06Å; P338-F341 PolarHBondContact O-N 2.75Å
342S89.6Confident93.4Very high13 Ų1361.6 Ų61.69%0.09132%0.317CS..THydrogen-bonded Turntrans-106.33.4175.968.60000114.6P338 F340 G344 M345 F346P338-S342 WeakPolarHBondContact O-CB 3.13Å; P338-S342 PolarHBondContact O-N 3.03Å; P338-S342 PolarHBondContact O-OG 2.97Å; F340-S342 VanDerWaalsContact C-N 3.26Å; F340-S342 PolarHBondContact O-N 2.83Å; S342-G344 VanDerWaalsContact C-N 3.26Å; S342-G344 PolarHBondContact O-N 2.91Å; S342-M345 WeakPolarHBondContact O-CB 3.46Å; S342-M345 PolarHBondContact O-N 3.07Å; S342-M345 PolarHBondContact OG-N 2.81Å; S342-F346 PolarHBondContact OG-N 3.23Å; S342-F346 PolarHBondContact OG-O 2.84Å
343F88.5Confident93.4Very high148 Ų14861.3 Ų61.365%0.64931%0.308SS*.THydrogen-bonded Turntrans54.741.6-175.4-58.1-89.7000112.9A317 M320 E339 F340 M345A317-F343 HydrophobicContact CB-CD2 4.01Å; A317-F343 HydrophobicContact CB-CE2 3.71Å; M320-F343 HydrophobicContact CE-CE2 4.04Å; M320-F343 HydrophobicContact CE-CZ 4.32Å; E339-F343 PolarHBondContact O-N 2.81Å; E339-F343 VanDerWaalsContact O-N 3.11Å; F340-F343 PolarHBondContact O-N 2.95Å; F343-M345 VanDerWaalsContact C-N 3.32Å; F343-M345 PolarHBondContact O-N 2.87Å
344G88.8Confident93.4Very high41 Ų4164.3 Ų64.342%0.42332%0.319SS..THydrogen-bonded Turntrans84.3-4.8177.900000115.3E339 S342 F346E339-G344 PolarHBondContact O-N 3.04Å; S342-G344 VanDerWaalsContact C-N 3.26Å; S342-G344 PolarHBondContact O-N 2.91Å; G344-F346 VanDerWaalsContact C-N 3.33Å; G344-F346 PolarHBondContact O-N 3.14Å
345M90.3Very high93.4Very high83 Ų8366.1 Ų66.141%0.40933%0.327SS..SBendtrans-68.1-32.4-179.7-174.6176.9-70.800112.6C216 I217 S342 F343C216-M345 CarbonylContact C-O 3.58Å; C216-M345 WeakPolarHBondContact CA-O 3.4Å; I217-M345 PolarHBondContact N-O 3.48Å; S342-M345 WeakPolarHBondContact O-CB 3.46Å; S342-M345 PolarHBondContact O-N 3.07Å; S342-M345 PolarHBondContact OG-N 2.81Å; F343-M345 VanDerWaalsContact C-N 3.32Å; F343-M345 PolarHBondContact O-N 2.87Å
346F94.1Very high93.5Very high25 Ų2565 Ų6511%0.1132%0.322CS..EExtended strand (participates in β ladder)trans-119.1133.4176.6-63.7-91.5000111.8I217 T221 W222 P338 E339 S342 G344I217-F346 HydrophobicContact CB-CD1 3.62Å; I217-F346 HydrophobicContact CB-CE1 3.65Å; I217-F346 HydrophobicContact CB-CG 4.47Å; I217-F346 HydrophobicContact CB-CZ 4.5Å; I217-F346 HydrophobicContact CD1-CE1 3.95Å; I217-F346 HydrophobicContact CD1-CZ 4.06Å; I217-F346 HydrophobicContact CG1-CE1 4.38Å; I217-F346 HydrophobicContact CG2-CD1 3.77Å; I217-F346 HydrophobicContact CG2-CE1 3.57Å; I217-F346 CarbonylContact O-C 3.57Å; I217-F346 WeakPolarHBondContact O-CA 3.43Å; T221-F346 HydrophobicContact CG2-CE1 4.04Å; W222-F346 HydrophobicContact CB-CB 4Å; W222-F346 HydrophobicContact CB-CD1 3.67Å; W222-F346 HydrophobicContact CB-CE1 4.26Å; W222-F346 HydrophobicContact CB-CG 3.81Å; W222-F346 HydrophobicContact CD2-CB 4.44Å; W222-F346 HydrophobicContact CD2-CD2 4.12Å; W222-F346 HydrophobicContact CD2-CG 4.21Å; W222-F346 HydrophobicContact CE3-CD1 4.43Å; W222-F346 AromaticContact CE3-CD2 3.41Å; W222-F346 HydrophobicContact CE3-CD2 3.41Å; W222-F346 VanDerWaalsContact CE3-CD2 3.41Å; W222-F346 AromaticContact CE3-CE2 3.56Å; W222-F346 HydrophobicContact CE3-CE2 3.56Å; W222-F346 AromaticContact CE3-CG 3.89Å; W222-F346 HydrophobicContact CE3-CG 3.89Å; W222-F346 HydrophobicContact CE3-CZ 4.13Å; W222-F346 HydrophobicContact CG-CB 4.25Å; W222-F346 HydrophobicContact CG-CG 4.24Å; W222-F346 AromaticContact CZ3-CD2 3.89Å; W222-F346 HydrophobicContact CZ3-CD2 3.89Å; W222-F346 AromaticContact CZ3-CE2 3.9Å; W222-F346 HydrophobicContact CZ3-CE2 3.9Å; P338-F346 CarbonylContact C-O 3.38Å; P338-F346 HydrophobicContact CB-CB 4.33Å; E339-F346 WeakPolarHBondContact CA-O 3.39Å; E339-F346 VanDerWaalsContact CG-O 3.31Å; E339-F346 WeakPolarHBondContact CG-O 3.38Å; E339-F346 PolarHBondContact N-O 2.95Å; E339-F346 VanDerWaalsContact N-O 3.15Å; S342-F346 PolarHBondContact OG-N 3.23Å; S342-F346 PolarHBondContact OG-O 2.84Å; G344-F346 VanDerWaalsContact C-N 3.33Å; G344-F346 PolarHBondContact O-N 3.14Å
347S95.1Very high93.6Very high10 Ų1066.6 Ų66.67%0.0733%0.331CS..EExtended strand (participates in β ladder)trans-139.5157.417981.40000112.8C216 I217 H218 D219 E339 A349 G350C216-S347 PolarHBondContact SG-OG 3.38Å; I217-S347 PolarHBondContact O-N 2.61Å; H218-S347 CarbonylContact C-O 3.59Å; H218-S347 WeakPolarHBondContact CA-O 3.39Å; D219-S347 PolarHBondContact N-O 3.17Å; E339-S347 WeakPolarHBondContact OE1-CB 3.27Å; S347-A349 VanDerWaalsContact C-N 3.27Å; S347-A349 PolarHBondContact OG-N 3.23Å; S347-G350 PolarHBondContact O-N 3.33Å; S347-G350 WeakPolarHBondContact OG-CA 3.34Å; S347-G350 PolarHBondContact OG-N 3.46Å; S347-G350 PolarHBondContact OG-O 3.49Å
348K94.2Very high93.6Very high110 Ų11063.1 Ų63.148%0.47833%0.327SS..SBendtrans-74.3-21.4174.6-65.6-178.2-177.2169.30112.7H218 D219 K336 P338H218-K348 PolarHBondContact CD2-O 3.38Å; H218-K348 PolarHBondContact NE2-O 3.01Å; D219-K348 HydrophobicContact CB-CG 4.25Å; K336-K348 PolarHBondContact O-NZ 3.41Å; P338-K348 HydrophobicContact CG-CG 4.04Å
349A93.8Very high93.8Very high75 Ų7563.5 Ų63.562%0.6233%0.33SS*.SBendtrans-81.2-21.2175.500000112F44 S347F44-A349 WeakPolarHBondContact CE2-O 3.45Å; S347-A349 VanDerWaalsContact C-N 3.27Å; S347-A349 PolarHBondContact OG-N 3.23Å
350G94.5Very high94Very high7 Ų760.8 Ų60.87%0.07232%0.323CS..  trans68-174.2-16900000112.8S347S347-G350 PolarHBondContact O-N 3.33Å; S347-G350 WeakPolarHBondContact OG-CA 3.34Å; S347-G350 PolarHBondContact OG-N 3.46Å; S347-G350 PolarHBondContact OG-O 3.49Å
351P95.8Very high94.2Very high10 Ų1054 Ų547%0.06529%0.293CS..  trans-71.9150.1176.528.7-34.5000112.8F44 C216 Q355 M356 Y396F44-P351 HydrophobicContact CE1-CG 4.44Å; F44-P351 HydrophobicContact CZ-CG 4.45Å; C216-P351 HydrophobicContact CB-CB 4.03Å; C216-P351 WeakPolarHBondContact O-CB 3.44Å; C216-P351 WeakPolarHBondContact O-CD 3.34Å; C216-P351 WeakPolarHBondContact O-CG 3.43Å; P351-Q355 HydrophobicContact CB-CB 4.21Å; P351-M356 HydrophobicContact CB-CG 3.91Å; P351-M356 HydrophobicContact CG-CG 3.81Å; P351-M356 HydrophobicContact CG-SD 3.98Å; P351-Y396 VanDerWaalsContact CD-CE2 3.44Å; P351-Y396 HydrophobicContact CG-CD2 3.32Å; P351-Y396 HydrophobicContact CG-CE2 3.37Å; P351-Y396 HydrophobicContact CG-CG 4.38Å
352T95.5Very high94.6Very high76 Ų7659 Ų5947%0.46631%0.312SS..  trans-75161.6167.965.70000111.5K354 Q355 M356T352-K354 VanDerWaalsContact C-N 3.29Å; T352-K354 PolarHBondContact O-N 3.43Å; T352-Q355 PolarHBondContact O-N 3.06Å; T352-Q355 VanDerWaalsContact OG1-CG 3.32Å; T352-Q355 WeakPolarHBondContact OG1-CG 3.3Å; T352-Q355 PolarHBondContact OG1-N 2.87Å; T352-Q355 PolarHBondContact OG1-OE1 3.43Å; T352-M356 WeakPolarHBondContact O-CG 3.33Å; T352-M356 PolarHBondContact O-N 3.06Å
353R94.3Very high94.9Very high98 Ų9858.5 Ų58.537%0.3731%0.308SS..Hα-helixtrans-54.2-44.4173.9-70.3-77.1-179177.72.2112.5E51 Q355 M356 E357E51-R353 VanDerWaalsContact CD-NH2 3.26Å; E51-R353 IonicContact OE1-CZ 3.07Å; E51-R353 IonicContact OE1-NH1 2.73Å; E51-R353 IonicContact OE1-NH2 3.81Å; E51-R353 PolarHBondContact OE1-NH2 2.82Å; E51-R353 IonicContact OE2-CZ 2.99Å; E51-R353 IonicContact OE2-NH1 3.96Å; E51-R353 PolarHBondContact OE2-NH1 3.02Å; E51-R353 IonicContact OE2-NH2 3Å; E51-R353 PolarHBondContact OE2-NH2 3.36Å; E51-R353 VanDerWaalsContact OE2-NH2 3.1Å; R353-Q355 PolarHBondContact O-N 2.89Å; R353-M356 HydrophobicContact CB-CE 4.5Å; R353-M356 HydrophobicContact CG-CE 4.24Å; R353-M356 PolarHBondContact O-N 3.36Å; R353-M356 VanDerWaalsContact O-N 3.13Å; R353-E357 WeakPolarHBondContact O-CB 3.43Å; R353-E357 VanDerWaalsContact O-CG 3.32Å; R353-E357 WeakPolarHBondContact O-CG 3.48Å; R353-E357 PolarHBondContact O-N 3.07Å
354K95.5Very high95.4Very high121 Ų12151.6 Ų51.653%0.52628%0.278SS..Hα-helixtrans-64.3-37.9179.6-161.7-179.1177.3-1670112.8E213 T352 G358E213-K354 HydrophobicContact CG-CB 4.41Å; E213-K354 HydrophobicContact CG-CD 3.65Å; E213-K354 HydrophobicContact CG-CG 3.81Å; E213-K354 VanDerWaalsContact OE1-CE 3.22Å; E213-K354 WeakPolarHBondContact OE1-CE 3.36Å; E213-K354 IonicContact OE1-NZ 3.82Å; E213-K354 PolarHBondContact OE1-NZ 2.91Å; T352-K354 VanDerWaalsContact C-N 3.29Å; T352-K354 PolarHBondContact O-N 3.43Å; K354-G358 PolarHBondContact O-N 3.32Å
355Q96.3Very high95.9Very high37 Ų3749.6 Ų49.617%0.17326%0.257CS..Hα-helixtrans-64.9-41172.9-75.1172.3-45.400111.6E213 P351 T352 R353 S359E213-Q355 HydrophobicContact CB-CG 3.67Å; E213-Q355 WeakPolarHBondContact O-CG 3.33Å; E213-Q355 PolarHBondContact O-NE2 3.37Å; P351-Q355 HydrophobicContact CB-CB 4.21Å; T352-Q355 PolarHBondContact O-N 3.06Å; T352-Q355 VanDerWaalsContact OG1-CG 3.32Å; T352-Q355 WeakPolarHBondContact OG1-CG 3.3Å; T352-Q355 PolarHBondContact OG1-N 2.87Å; T352-Q355 PolarHBondContact OG1-OE1 3.43Å; R353-Q355 PolarHBondContact O-N 2.89Å; Q355-S359 WeakPolarHBondContact O-CB 3.25Å; Q355-S359 PolarHBondContact O-N 3.49Å; Q355-S359 PolarHBondContact O-OG 3.42Å
356M96.6Very high96.3Very high9 Ų947.9 Ų47.94%0.04425%0.247CC..Hα-helixtrans-66.5-46176.2-65.9-178-71.500111.9F48 P351 T352 R353 G358 S359 E393 Y396 V397F48-M356 HydrophobicContact CE1-CE 3.71Å; F48-M356 HydrophobicContact CE1-SD 4.14Å; F48-M356 HydrophobicContact CZ-CE 3.72Å; F48-M356 HydrophobicContact CZ-SD 4Å; P351-M356 HydrophobicContact CB-CG 3.91Å; P351-M356 HydrophobicContact CG-CG 3.81Å; P351-M356 HydrophobicContact CG-SD 3.98Å; T352-M356 WeakPolarHBondContact O-CG 3.33Å; T352-M356 PolarHBondContact O-N 3.06Å; R353-M356 HydrophobicContact CB-CE 4.5Å; R353-M356 HydrophobicContact CG-CE 4.24Å; R353-M356 PolarHBondContact O-N 3.36Å; R353-M356 VanDerWaalsContact O-N 3.13Å; M356-G358 VanDerWaalsContact C-N 3.27Å; M356-G358 PolarHBondContact O-N 3.35Å; M356-S359 PolarHBondContact O-N 3.44Å; M356-S359 VanDerWaalsContact O-N 3.12Å; M356-E393 HydrophobicContact CB-CB 4.19Å; M356-E393 HydrophobicContact CB-CG 4.24Å; M356-E393 HydrophobicContact CG-CG 4.15Å; M356-E393 WeakPolarHBondContact O-CB 3.48Å; M356-Y396 WeakPolarHBondContact SD-CB 3.38Å; M356-Y396 HydrophobicContact SD-CD2 4.01Å; M356-Y396 HydrophobicContact SD-CG 4.03Å; M356-V397 HydrophobicContact CB-CG2 4.35Å
357E95.4Very high96.4Very high155 Ų15546.8 Ų46.872%0.72424%0.242SC*.Hα-helixtrans-60.6-34.9177.5-73.4164.5-166.300112.8R353 S359R353-E357 WeakPolarHBondContact O-CB 3.43Å; R353-E357 VanDerWaalsContact O-CG 3.32Å; R353-E357 WeakPolarHBondContact O-CG 3.48Å; R353-E357 PolarHBondContact O-N 3.07Å; E357-S359 VanDerWaalsContact C-N 3.33Å
358G96.3Very high96.5Very high34 Ų3449.8 Ų49.835%0.35126%0.255SS..THydrogen-bonded Turntrans-82.4-5.117800000114.9G211 K354 M356G211-G358 VanDerWaalsContact CA-O 3.28Å; G211-G358 WeakPolarHBondContact CA-O 3.35Å; G211-G358 PolarHBondContact N-O 3.22Å; K354-G358 PolarHBondContact O-N 3.32Å; M356-G358 VanDerWaalsContact C-N 3.27Å; M356-G358 PolarHBondContact O-N 3.35Å
359S97.3Very high96.6Very high12 Ų1244.6 Ų44.68%0.08423%0.233CC..  trans-109.8148.6-173.3-61.40000112.4S209 Q355 M356 E357 P392 E393S209-S359 CarbonylContact O-C 3.53Å; S209-S359 VanDerWaalsContact O-CA 3.27Å; S209-S359 WeakPolarHBondContact O-CA 3.26Å; Q355-S359 WeakPolarHBondContact O-CB 3.25Å; Q355-S359 PolarHBondContact O-N 3.49Å; Q355-S359 PolarHBondContact O-OG 3.42Å; M356-S359 PolarHBondContact O-N 3.44Å; M356-S359 VanDerWaalsContact O-N 3.12Å; E357-S359 VanDerWaalsContact C-N 3.33Å; S359-P392 CarbonylContact O-C 3.56Å; S359-E393 PolarHBondContact O-N 3.46Å; S359-E393 VanDerWaalsContact O-N 3.07Å
360S97.9Very high96.7Very high48 Ų4841.1 Ų41.134%0.33620%0.204SC..EExtended strand (participates in β ladder)trans-149.9160.1177.255.70000111.1S209 G391S209-S360 PolarHBondContact N-O 3.16Å; S209-S360 PolarHBondContact O-N 2.75Å; S360-G391 WeakPolarHBondContact CA-O 3.36Å; S360-G391 WeakPolarHBondContact CB-O 3.18Å
361F97.9Very high96.8Very high4 Ų443.4 Ų43.42%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-115.7159.2171.977.7-97.6000111.5F179 P183 L206 F363 I389 Q390 G391 P392 A394 A398 I444F179-F361 AromaticContact CD2-CD1 3.77Å; F179-F361 HydrophobicContact CD2-CD1 3.77Å; F179-F361 HydrophobicContact CD2-CD2 4.44Å; F179-F361 AromaticContact CD2-CE1 3.82Å; F179-F361 HydrophobicContact CD2-CE1 3.82Å; F179-F361 HydrophobicContact CD2-CE2 4.47Å; F179-F361 HydrophobicContact CD2-CG 4.11Å; F179-F361 HydrophobicContact CD2-CZ 4.18Å; F179-F361 HydrophobicContact CE2-CB 3.84Å; F179-F361 AromaticContact CE2-CD1 3.48Å; F179-F361 HydrophobicContact CE2-CD1 3.48Å; F179-F361 VanDerWaalsContact CE2-CD1 3.48Å; F179-F361 AromaticContact CE2-CD2 3.57Å; F179-F361 HydrophobicContact CE2-CD2 3.57Å; F179-F361 AromaticContact CE2-CE1 3.86Å; F179-F361 HydrophobicContact CE2-CE1 3.86Å; F179-F361 AromaticContact CE2-CE2 3.92Å; F179-F361 HydrophobicContact CE2-CE2 3.92Å; F179-F361 AromaticContact CE2-CG 3.33Å; F179-F361 HydrophobicContact CE2-CG 3.33Å; F179-F361 HydrophobicContact CE2-CZ 4.06Å; F179-F361 HydrophobicContact CZ-CB 4.14Å; F179-F361 HydrophobicContact CZ-CD2 4.4Å; F179-F361 HydrophobicContact CZ-CG 4.12Å; P183-F361 HydrophobicContact CB-CE2 4.14Å; P183-F361 HydrophobicContact CB-CZ 4.35Å; P183-F361 HydrophobicContact CG-CE2 4.33Å; P183-F361 HydrophobicContact CG-CZ 4.08Å; L206-F361 HydrophobicContact CD1-CB 4.23Å; F361-F363 AromaticContact CD2-CD2 3.96Å; F361-F363 HydrophobicContact CD2-CD2 3.96Å; F361-F363 HydrophobicContact CE2-CD2 4.06Å; F361-I389 HydrophobicContact CE2-CG2 4.11Å; F361-I389 HydrophobicContact CZ-CG2 4.47Å; F361-Q390 WeakPolarHBondContact O-CA 3.32Å; F361-G391 PolarHBondContact N-O 2.91Å; F361-G391 VanDerWaalsContact N-O 3.11Å; F361-G391 PolarHBondContact O-N 2.94Å; F361-P392 WeakPolarHBondContact CD1-O 3.36Å; F361-A394 HydrophobicContact CD1-CB 4.48Å; F361-A398 HydrophobicContact CD1-CB 4.29Å; F361-A398 HydrophobicContact CE1-CB 3.66Å; F361-I444 HydrophobicContact CZ-CG2 4.12Å
362R98.1Very high96.5Very high124 Ų12448.9 Ų48.947%0.46825%0.245SC..EExtended strand (participates in β ladder)trans-140.8127.6170.5-177.5-177.2-68.6157.93.7110.2L206 T207 L388 I389L206-R362 CarbonylContact C-O 3.4Å; L206-R362 WeakPolarHBondContact CA-O 3.31Å; T207-R362 PolarHBondContact N-O 2.96Å; T207-R362 PolarHBondContact O-N 3.37Å; R362-L388 HydrophobicContact CG-CD1 3.39Å; R362-L388 HydrophobicContact CG-CG 4.43Å; R362-I389 CarbonylContact C-O 3.55Å; R362-I389 WeakPolarHBondContact CA-O 3.44Å
363F97.6Very high96Very high2 Ų249.4 Ų49.41%0.00927%0.265CS..EExtended strand (participates in β ladder)trans-108.3115.6166.5-91.5-81.1000109.4F179 P183 A184 F205 L206 F361 F365 I389F179-F363 HydrophobicContact CE2-CD2 4.37Å; F179-F363 AromaticContact CE2-CE2 3.85Å; F179-F363 HydrophobicContact CE2-CE2 3.85Å; F179-F363 AromaticContact CZ-CE2 3.75Å; F179-F363 HydrophobicContact CZ-CE2 3.75Å; P183-F363 HydrophobicContact CB-CD2 3.76Å; P183-F363 HydrophobicContact CB-CE2 3.85Å; A184-F363 HydrophobicContact CB-CE1 4.4Å; A184-F363 HydrophobicContact CB-CZ 4.3Å; F205-F363 WeakPolarHBondContact O-CA 3.33Å; L206-F363 HydrophobicContact CB-CD1 4.07Å; L206-F363 HydrophobicContact CB-CE1 3.7Å; L206-F363 HydrophobicContact CB-CE2 4.4Å; L206-F363 HydrophobicContact CB-CZ 3.88Å; L206-F363 HydrophobicContact CD1-CD2 3.94Å; L206-F363 HydrophobicContact CD1-CE2 3.74Å; L206-F363 HydrophobicContact CD1-CG 4.42Å; L206-F363 HydrophobicContact CD1-CZ 4.07Å; L206-F363 HydrophobicContact CD2-CE2 4.38Å; L206-F363 HydrophobicContact CD2-CZ 4.06Å; L206-F363 HydrophobicContact CG-CE2 4.38Å; L206-F363 HydrophobicContact CG-CZ 4.21Å; F361-F363 AromaticContact CD2-CD2 3.96Å; F361-F363 HydrophobicContact CD2-CD2 3.96Å; F361-F363 HydrophobicContact CE2-CD2 4.06Å; F363-F365 HydrophobicContact CB-CD2 4.17Å; F363-F365 HydrophobicContact CB-CE2 3.55Å; F363-F365 HydrophobicContact CB-CZ 4.36Å; F363-F365 HydrophobicContact CD1-CE2 4.29Å; F363-F365 HydrophobicContact CD1-CZ 4.37Å; F363-F365 HydrophobicContact CG-CE2 4.19Å; F363-I389 HydrophobicContact CB-CB 4.14Å; F363-I389 PolarHBondContact N-O 3.33Å; F363-I389 PolarHBondContact O-N 3.3Å
364S98.3Very high95.6Very high2 Ų249.6 Ų49.61%0.01427%0.27CS..EExtended strand (participates in β ladder)trans-98.2123.5170.8-62.70000109.8S204 F205S204-S364 CarbonylContact C-O 3.57Å; S204-S364 WeakPolarHBondContact CA-O 3.28Å; F205-S364 PolarHBondContact N-O 3.3Å; F205-S364 PolarHBondContact O-N 2.91Å
365F98.7Very high95.1Very high0 Ų047.4 Ų47.40%026%0.264CS..EExtended strand (participates in β ladder)trans-108.4133.4178.1-68.9-105000110.1P183 V188 V202 E203 Y299 F363 R386 T387 I389P183-F365 WeakPolarHBondContact O-CZ 3.44Å; V188-F365 HydrophobicContact CG2-CD1 4.4Å; V188-F365 HydrophobicContact CG2-CE1 3.9Å; V202-F365 HydrophobicContact CG1-CB 4.37Å; V202-F365 HydrophobicContact CG1-CD1 3.6Å; V202-F365 HydrophobicContact CG1-CE1 4.45Å; V202-F365 HydrophobicContact CG1-CG 4.48Å; E203-F365 CarbonylContact O-C 3.07Å; E203-F365 WeakPolarHBondContact O-CA 3.47Å; Y299-F365 HydrophobicContact CE2-CE1 4.3Å; F363-F365 HydrophobicContact CB-CD2 4.17Å; F363-F365 HydrophobicContact CB-CE2 3.55Å; F363-F365 HydrophobicContact CB-CZ 4.36Å; F363-F365 HydrophobicContact CD1-CE2 4.29Å; F363-F365 HydrophobicContact CD1-CZ 4.37Å; F363-F365 HydrophobicContact CG-CE2 4.19Å; F365-R386 VanDerWaalsContact O-CA 3.29Å; F365-R386 WeakPolarHBondContact O-CA 3.46Å; F365-R386 WeakPolarHBondContact O-CG 3.3Å; F365-T387 WeakPolarHBondContact CB-OG1 3.34Å; F365-T387 PolarHBondContact N-O 2.92Å; F365-T387 PolarHBondContact O-N 3.39Å; F365-I389 HydrophobicContact CD2-CD1 3.3Å; F365-I389 HydrophobicContact CD2-CG1 4.46Å; F365-I389 HydrophobicContact CE2-CB 4.38Å; F365-I389 HydrophobicContact CE2-CD1 3.2Å; F365-I389 HydrophobicContact CE2-CG1 3.94Å; F365-I389 HydrophobicContact CG-CD1 4.38Å; F365-I389 HydrophobicContact CZ-CD1 4.25Å
366Y98.2Very high94.7Very high47 Ų4746.6 Ų46.618%0.18426%0.262CS..EExtended strand (participates in β ladder)trans-119.6103.8178.7-65.7-92.6000108.3V202 E203 F205 E265 R386V202-Y366 WeakPolarHBondContact CA-O 3.34Å; E203-Y366 PolarHBondContact N-O 2.73Å; E203-Y366 PolarHBondContact O-N 3.33Å; F205-Y366 AromaticContact CD2-CD2 3.66Å; F205-Y366 HydrophobicContact CD2-CD2 3.66Å; F205-Y366 AromaticContact CD2-CE2 3.72Å; F205-Y366 HydrophobicContact CD2-CE2 3.72Å; F205-Y366 AromaticContact CE2-CD2 3.74Å; F205-Y366 HydrophobicContact CE2-CD2 3.74Å; F205-Y366 HydrophobicContact CE2-CE2 4.08Å; E265-Y366 HydrophobicContact CB-CD2 4.4Å; E265-Y366 HydrophobicContact CB-CE1 4.1Å; E265-Y366 HydrophobicContact CB-CE2 3.62Å; E265-Y366 VanDerWaalsContact CB-CZ 3.44Å; E265-Y366 WeakPolarHBondContact CB-OH 3.42Å; E265-Y366 HydrophobicContact CG-CD1 4.25Å; E265-Y366 HydrophobicContact CG-CD2 4.3Å; E265-Y366 HydrophobicContact CG-CE1 3.89Å; E265-Y366 HydrophobicContact CG-CE2 3.95Å; E265-Y366 HydrophobicContact CG-CG 4.43Å; E265-Y366 PolarHBondContact O-OH 3.05Å; Y366-R386 HydrophobicContact CD1-CG 4.18Å; Y366-R386 HydrophobicContact CE1-CG 3.93Å; Y366-R386 PolarHBondContact OH-NE 3.26Å; Y366-R386 VanDerWaalsContact OH-NE 3.07Å; Y366-R386 PolarHBondContact OH-NH2 2.91Å
367G97.8Very high94.1Very high2 Ų250.2 Ų50.22%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-96.7140-178.800000112.3A201 K384 I385A201-G367 CarbonylContact O-C 3.57Å; A201-G367 WeakPolarHBondContact O-CA 3.31Å; G367-K384 VanDerWaalsContact O-CA 3.25Å; G367-K384 WeakPolarHBondContact O-CA 3.33Å; G367-I385 PolarHBondContact N-O 2.88Å; G367-I385 PolarHBondContact O-N 2.8Å
368E96.9Very high93.3Very high73 Ų7349.1 Ų49.134%0.34129%0.289SS..EExtended strand (participates in β ladder)trans-127.5140.8171.7-59-166.9155.100110.7T200 A201 P381 K384T200-E368 PolarHBondContact N-O 3.07Å; T200-E368 PolarHBondContact OG1-O 3.38Å; A201-E368 PolarHBondContact N-O 3.01Å; A201-E368 PolarHBondContact O-N 3.32Å; E368-P381 HydrophobicContact CB-CB 4.17Å; E368-K384 HydrophobicContact CG-CG 4.31Å; E368-K384 VanDerWaalsContact OE1-CE 3.25Å; E368-K384 WeakPolarHBondContact OE1-CE 3.36Å; E368-K384 IonicContact OE1-NZ 2.77Å; E368-K384 PolarHBondContact OE1-NZ 2.88Å
369G96.5Very high92.6Very high0 Ų050.4 Ų50.40%030%0.302CS..EExtended strand (participates in β ladder)trans-169.4-159.6-177.400000113.6T198 P381 N382 A383T198-G369 CarbonylContact O-C 3.39Å; T198-G369 WeakPolarHBondContact O-CA 3.25Å; G369-P381 CarbonylContact O-C 3.58Å; G369-P381 VanDerWaalsContact O-CA 3.27Å; G369-P381 WeakPolarHBondContact O-CA 3.39Å; G369-P381 WeakPolarHBondContact O-CB 3.42Å; G369-N382 PolarHBondContact O-N 2.93Å; G369-A383 PolarHBondContact N-O 3.39Å; G369-A383 PolarHBondContact O-N 3.23Å
370Y96.1Very high92.3Very high3 Ų358.4 Ų58.41%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-120.9131.6-172.3-62.1-101000109.1G197 T198 T200 G251 S252 P376 G379 P381 N382G197-Y370 CarbonylContact C-O 3.49Å; G197-Y370 VanDerWaalsContact CA-O 3.26Å; G197-Y370 WeakPolarHBondContact CA-O 3.37Å; T198-Y370 PolarHBondContact N-O 3.49Å; T198-Y370 PolarHBondContact O-N 2.76Å; T200-Y370 HydrophobicContact CG2-CD2 3.79Å; T200-Y370 HydrophobicContact CG2-CE2 3.87Å; G251-Y370 WeakPolarHBondContact CA-OH 3.36Å; S252-Y370 PolarHBondContact N-OH 2.93Å; Y370-P376 HydrophobicContact CD2-CB 3.78Å; Y370-P376 HydrophobicContact CD2-CG 4.05Å; Y370-P376 HydrophobicContact CE2-CB 3.81Å; Y370-P376 HydrophobicContact CG-CB 4.25Å; Y370-P376 HydrophobicContact CG-CG 4.28Å; Y370-P376 PolarHBondContact OH-O 2.84Å; Y370-G379 PolarHBondContact OH-O 2.84Å; Y370-P381 HydrophobicContact CE2-CG 4.11Å; Y370-N382 VanDerWaalsContact CA-OD1 3.32Å; Y370-N382 WeakPolarHBondContact CA-OD1 3.29Å
371T94.9Very high92.1Very high54 Ų5457.9 Ų57.933%0.33133%0.33SS..  trans-56.8157173.752.10000111.8G373 Q374 N382 A383T371-G373 PolarHBondContact O-N 3.05Å; T371-Q374 WeakPolarHBondContact O-CB 3.42Å; T371-Q374 PolarHBondContact O-N 3.22Å; T371-Q374 VanDerWaalsContact O-N 3.12Å; T371-Q374 WeakPolarHBondContact OG1-CG 3.44Å; T371-N382 PolarHBondContact N-OD1 3.29Å; T371-N382 PolarHBondContact OG1-ND2 2.92Å; T371-A383 HydrophobicContact CG2-CB 3.86Å
372D91.1Very high91.9Very high126 Ų12661.9 Ų61.967%0.67435%0.352SS*.THydrogen-bonded Turntrans-48.3134177.5-71.2-42.7000112.9G197 Q374G197-D372 WeakPolarHBondContact CA-OD1 3.25Å; G197-D372 PolarHBondContact N-OD1 3.29Å; D372-Q374 VanDerWaalsContact C-N 3.29Å; D372-Q374 PolarHBondContact O-N 2.97Å
373G83.8Confident91.9Very high86 Ų8656.8 Ų56.889%0.88734%0.337SS*.THydrogen-bonded Turntrans80.3-4.9179.200000115.9T371T371-G373 PolarHBondContact O-N 3.05Å
374Q87.4Confident91.8Very high102 Ų10264.3 Ų64.348%0.47737%0.369SS..  trans-86.7133.2170.9-68.2-67.2-54.900110.8T371 D372 P376T371-Q374 WeakPolarHBondContact O-CB 3.42Å; T371-Q374 PolarHBondContact O-N 3.22Å; T371-Q374 VanDerWaalsContact O-N 3.12Å; T371-Q374 WeakPolarHBondContact OG1-CG 3.44Å; D372-Q374 VanDerWaalsContact C-N 3.29Å; D372-Q374 PolarHBondContact O-N 2.97Å; Q374-P376 WeakPolarHBondContact O-CD 3.36Å
375D84.9Confident91.8Very high75 Ų7565.3 Ų65.340%0.40138%0.375SS..  trans-76.9118.6175.7179.31.6000110A377 Q378D375-A377 PolarHBondContact O-N 2.7Å; D375-A377 VanDerWaalsContact OD1-CB 3.3Å; D375-A377 WeakPolarHBondContact OD1-CB 3.19Å; D375-A377 PolarHBondContact OD1-N 2.94Å; D375-Q378 HydrophobicContact CB-CB 4.43Å; D375-Q378 HydrophobicContact CB-CG 4.1Å; D375-Q378 PolarHBondContact O-N 2.92Å; D375-Q378 PolarHBondContact OD2-NE2 2.87Å
376P86.3Confident91.8Very high20 Ų2069.7 Ų69.713%0.1339%0.391CS..THydrogen-bonded Turntrans-59.4-17.2175.9-24.635.7000114.5T198 T200 V250 G251 Y370 Q374 Q378T198-P376 HydrophobicContact CG2-CG 4.01Å; T200-P376 HydrophobicContact CG2-CB 4.25Å; V250-P376 HydrophobicContact CG1-CB 3.5Å; V250-P376 VanDerWaalsContact CG1-CB 3.5Å; V250-P376 HydrophobicContact CG1-CG 4Å; G251-P376 VanDerWaalsContact CA-O 3.32Å; G251-P376 WeakPolarHBondContact CA-O 3.47Å; Y370-P376 HydrophobicContact CD2-CB 3.78Å; Y370-P376 HydrophobicContact CD2-CG 4.05Å; Y370-P376 HydrophobicContact CE2-CB 3.81Å; Y370-P376 HydrophobicContact CG-CB 4.25Å; Y370-P376 HydrophobicContact CG-CG 4.28Å; Y370-P376 PolarHBondContact OH-O 2.84Å; Q374-P376 WeakPolarHBondContact O-CD 3.36Å; P376-Q378 PolarHBondContact O-N 3.31Å
377A83.8Confident91.9Very high86 Ų8667.5 Ų67.571%0.71138%0.382SS*.THydrogen-bonded Turntrans-72.3-13.8172.100000113.1D375D375-A377 PolarHBondContact O-N 2.7Å; D375-A377 VanDerWaalsContact OD1-CB 3.3Å; D375-A377 WeakPolarHBondContact OD1-CB 3.19Å; D375-A377 PolarHBondContact OD1-N 2.94Å
378Q79.3Confident91.9Very high132 Ų13268.3 Ų68.362%0.61739%0.386SS*.SBendtrans-113.7113.9-174.5-58.2-174.124.400110.7D375 P376D375-Q378 HydrophobicContact CB-CB 4.43Å; D375-Q378 HydrophobicContact CB-CG 4.1Å; D375-Q378 PolarHBondContact O-N 2.92Å; D375-Q378 PolarHBondContact OD2-NE2 2.87Å; P376-Q378 PolarHBondContact O-N 3.31Å
379G81.8Confident92Very high61 Ų6164.8 Ų64.863%0.62937%0.37SS*.SBendtrans76.8-168.9172.200000115.6Y370Y370-G379 PolarHBondContact OH-O 2.84Å
380K90.9Very high92.1Very high179 Ų17968.4 Ų68.478%0.77839%0.387SS*.SBendtrans-93.2153.3-177.2-65.5179.6-178173.80110.4N382K380-N382 PolarHBondContact O-N 3.27Å
381P93.7Very high92.2Very high37 Ų3768.8 Ų68.824%0.2439%0.392CS..  trans-49.5133.1171-27.334.4000111.5S252 E368 G369 Y370S252-P381 WeakPolarHBondContact OG-CD 3.39Å; E368-P381 HydrophobicContact CB-CB 4.17Å; G369-P381 CarbonylContact O-C 3.58Å; G369-P381 VanDerWaalsContact O-CA 3.27Å; G369-P381 WeakPolarHBondContact O-CA 3.39Å; G369-P381 WeakPolarHBondContact O-CB 3.42Å; Y370-P381 HydrophobicContact CE2-CG 4.11Å
382N94.7Very high92.3Very high88 Ų8868.1 Ų68.147%0.47139%0.388SS..  trans-119-1.5-176.171.9-16.5000113.2G369 Y370 T371 K380G369-N382 PolarHBondContact O-N 2.93Å; Y370-N382 VanDerWaalsContact CA-OD1 3.32Å; Y370-N382 WeakPolarHBondContact CA-OD1 3.29Å; T371-N382 PolarHBondContact N-OD1 3.29Å; T371-N382 PolarHBondContact OG1-ND2 2.92Å; K380-N382 PolarHBondContact O-N 3.27Å
383A96.5Very high92.6Very high18 Ų1863 Ų6315%0.14936%0.36CS..EExtended strand (participates in β ladder)trans-131.8148.2178.100000111.2F195 G369 T371F195-A383 HydrophobicContact CE1-CB 4.4Å; F195-A383 HydrophobicContact CE2-CB 4.07Å; F195-A383 HydrophobicContact CZ-CB 3.53Å; G369-A383 PolarHBondContact N-O 3.39Å; G369-A383 PolarHBondContact O-N 3.23Å; T371-A383 HydrophobicContact CG2-CB 3.86Å
384K97.2Very high93.2Very high159 Ų15959.6 Ų59.669%0.69132%0.324SS*.EExtended strand (participates in β ladder)trans-133.1151.7-179.8-59.5-166.1179.5-148.10110.4G367 E368G367-K384 VanDerWaalsContact O-CA 3.25Å; G367-K384 WeakPolarHBondContact O-CA 3.33Å; E368-K384 HydrophobicContact CG-CG 4.31Å; E368-K384 VanDerWaalsContact OE1-CE 3.25Å; E368-K384 WeakPolarHBondContact OE1-CE 3.36Å; E368-K384 IonicContact OE1-NZ 2.77Å; E368-K384 PolarHBondContact OE1-NZ 2.88Å
385I98.3Very high93.6Very high24 Ų2455.7 Ų55.712%0.12331%0.311CS..EExtended strand (participates in β ladder)trans-137.3149169.7-171.4167.5000109T191 Q194 F195 L199 G367 T387 V448T191-I385 HydrophobicContact CG2-CG2 3.54Å; Q194-I385 HydrophobicContact CB-CD1 3.66Å; F195-I385 HydrophobicContact CD2-CB 3.8Å; F195-I385 HydrophobicContact CD2-CG2 3.52Å; F195-I385 HydrophobicContact CE2-CB 4.37Å; F195-I385 HydrophobicContact CE2-CG2 4.19Å; L199-I385 HydrophobicContact CD1-CG2 4.35Å; G367-I385 PolarHBondContact N-O 2.88Å; G367-I385 PolarHBondContact O-N 2.8Å; I385-T387 HydrophobicContact CD1-CG2 4.03Å; I385-T387 HydrophobicContact CG1-CG2 4.08Å; I385-V448 HydrophobicContact CD1-CG1 4.27Å; I385-V448 HydrophobicContact CD1-CG2 4.48Å; I385-V448 HydrophobicContact CG1-CG1 4.2Å
386R98.4Very high94.2Very high92 Ų9252.4 Ų52.435%0.34729%0.293SS..EExtended strand (participates in β ladder)trans-121.4132.4166-167.7-178.3174.9-173.6-2.4108.9F365 Y366 I449F365-R386 VanDerWaalsContact O-CA 3.29Å; F365-R386 WeakPolarHBondContact O-CA 3.46Å; F365-R386 WeakPolarHBondContact O-CG 3.3Å; Y366-R386 HydrophobicContact CD1-CG 4.18Å; Y366-R386 HydrophobicContact CE1-CG 3.93Å; Y366-R386 PolarHBondContact OH-NE 3.26Å; Y366-R386 VanDerWaalsContact OH-NE 3.07Å; Y366-R386 PolarHBondContact OH-NH2 2.91Å; R386-I449 HydrophobicContact CB-CG1 3.9Å; R386-I449 HydrophobicContact CG-CD1 3.66Å; R386-I449 HydrophobicContact CG-CG1 3.57Å; R386-I449 PolarHBondContact O-N 3.09Å
387T98.8Very high94.7Very high0 Ų053.9 Ų53.90%030%0.302CS..EExtended strand (participates in β ladder)trans-126.8157171.468.40000109.7Y190 T191 F365 I385 S447 V448Y190-T387 HydrophobicContact CD1-CG2 4.01Å; Y190-T387 HydrophobicContact CE1-CG2 3.95Å; T191-T387 HydrophobicContact CG2-CG2 4.14Å; T191-T387 PolarHBondContact OG1-OG1 3.23Å; F365-T387 WeakPolarHBondContact CB-OG1 3.34Å; F365-T387 PolarHBondContact N-O 2.92Å; F365-T387 PolarHBondContact O-N 3.39Å; I385-T387 HydrophobicContact CD1-CG2 4.03Å; I385-T387 HydrophobicContact CG1-CG2 4.08Å; T387-S447 CarbonylContact C-O 3.57Å; T387-S447 WeakPolarHBondContact CA-O 3.25Å; T387-S447 VanDerWaalsContact CB-O 3.26Å; T387-S447 WeakPolarHBondContact CB-O 3.47Å; T387-V448 HydrophobicContact CG2-CG2 4.24Å
388L98.6Very high95.4Very high19 Ų1949.8 Ų49.810%0.09927%0.268CS..EExtended strand (participates in β ladder)trans-131.1126.8-175.2-173.369000109.1R362 F446 S447 I449R362-L388 HydrophobicContact CG-CD1 3.39Å; R362-L388 HydrophobicContact CG-CG 4.43Å; L388-F446 WeakPolarHBondContact O-CA 3.49Å; L388-S447 PolarHBondContact N-O 3.12Å; L388-S447 PolarHBondContact O-N 3.45Å; L388-S447 PolarHBondContact O-OG 3.5Å; L388-I449 HydrophobicContact CB-CD1 3.96Å; L388-I449 HydrophobicContact CB-CG1 4.33Å; L388-I449 HydrophobicContact CB-CG2 4.05Å; L388-I449 HydrophobicContact CD2-CG2 4.43Å
389I98.6Very high96.3Very high0 Ų043.8 Ų43.80%024%0.24CC..EExtended strand (participates in β ladder)trans-116.1118.5171.9-59.164.3000106.8P183 F361 R362 F363 F365 I444 M445 F446P183-I389 HydrophobicContact CB-CG2 4.18Å; F361-I389 HydrophobicContact CE2-CG2 4.11Å; F361-I389 HydrophobicContact CZ-CG2 4.47Å; R362-I389 CarbonylContact C-O 3.55Å; R362-I389 WeakPolarHBondContact CA-O 3.44Å; F363-I389 HydrophobicContact CB-CB 4.14Å; F363-I389 PolarHBondContact N-O 3.33Å; F363-I389 PolarHBondContact O-N 3.3Å; F365-I389 HydrophobicContact CD2-CD1 3.3Å; F365-I389 HydrophobicContact CD2-CG1 4.46Å; F365-I389 HydrophobicContact CE2-CB 4.38Å; F365-I389 HydrophobicContact CE2-CD1 3.2Å; F365-I389 HydrophobicContact CE2-CG1 3.94Å; F365-I389 HydrophobicContact CG-CD1 4.38Å; F365-I389 HydrophobicContact CZ-CD1 4.25Å; I389-I444 HydrophobicContact CG2-CG2 4.08Å; I389-M445 CarbonylContact C-O 3.56Å; I389-M445 WeakPolarHBondContact CA-O 3.47Å; I389-F446 HydrophobicContact CD1-CD1 4.11Å; I389-F446 HydrophobicContact CD1-CE1 4.46Å; I389-F446 HydrophobicContact CG1-CD1 3.36Å; I389-F446 HydrophobicContact CG1-CE1 3.5Å; I389-F446 VanDerWaalsContact CG1-CE1 3.5Å; I389-F446 HydrophobicContact CG1-CG 3.94Å; I389-F446 HydrophobicContact CG1-CZ 4.19Å; I389-F446 HydrophobicContact CG2-CD1 4.42Å; I389-F446 HydrophobicContact CG2-CD2 4.36Å; I389-F446 HydrophobicContact CG2-CE1 4.16Å; I389-F446 HydrophobicContact CG2-CE2 4.11Å; I389-F446 HydrophobicContact CG2-CG 4.5Å; I389-F446 HydrophobicContact CG2-CZ 3.99Å
390Q98.3Very high97.2Very high75 Ų7541 Ų4135%0.3521%0.211SC..EExtended strand (participates in β ladder)trans-133.6147.9-178.260.9-176.3-31.300110.3F361 I444 M445F361-Q390 WeakPolarHBondContact O-CA 3.32Å; Q390-I444 CarbonylContact O-C 3.54Å; Q390-M445 HydrophobicContact CG-CB 3.95Å; Q390-M445 PolarHBondContact N-O 3.15Å; Q390-M445 PolarHBondContact O-N 3.06Å
391G98.3Very high97.5Very high12 Ų1233 Ų3312%0.12418%0.177CC..EExtended strand (participates in β ladder)trans-163-177.8-179.400000112.6S360 F361 G443S360-G391 WeakPolarHBondContact CA-O 3.36Å; S360-G391 WeakPolarHBondContact CB-O 3.18Å; F361-G391 PolarHBondContact N-O 2.91Å; F361-G391 VanDerWaalsContact N-O 3.11Å; F361-G391 PolarHBondContact O-N 2.94Å; G391-G443 WeakPolarHBondContact CA-O 3.33Å
392P98.1Very high97.8Very high39 Ų3931.3 Ų31.325%0.25317%0.165SC..EExtended strand (participates in β ladder)trans-69.2-166.6179.333-37.6000110.8S359 F361 A394 V397 A398 I401 G443S359-P392 CarbonylContact O-C 3.56Å; F361-P392 WeakPolarHBondContact CD1-O 3.36Å; P392-A394 PolarHBondContact O-N 3.35Å; P392-V397 HydrophobicContact CB-CB 4.01Å; P392-V397 HydrophobicContact CB-CG1 3.68Å; P392-V397 HydrophobicContact CG-CB 3.92Å; P392-V397 HydrophobicContact CG-CG1 3.45Å; P392-V397 VanDerWaalsContact CG-CG1 3.45Å; P392-A398 HydrophobicContact CG-CB 4.3Å; P392-I401 HydrophobicContact CG-CD1 4.23Å; P392-G443 WeakPolarHBondContact CD-O 3.34Å
393E97.7Very high98Very high18 Ų1827.1 Ų27.18%0.08414%0.143CC..  trans-50.7135.7175.5-169.8-74.3141.500112.2M356 S359 G395 Y396 V397 A398M356-E393 HydrophobicContact CB-CB 4.19Å; M356-E393 HydrophobicContact CB-CG 4.24Å; M356-E393 HydrophobicContact CG-CG 4.15Å; M356-E393 WeakPolarHBondContact O-CB 3.48Å; S359-E393 PolarHBondContact O-N 3.46Å; S359-E393 VanDerWaalsContact O-N 3.07Å; E393-G395 PolarHBondContact OE1-N 2.61Å; E393-G395 PolarHBondContact OE2-N 3.15Å; E393-G395 VanDerWaalsContact OE2-N 3.1Å; E393-Y396 WeakPolarHBondContact OE2-CA 3.37Å; E393-Y396 PolarHBondContact OE2-N 3.31Å; E393-V397 HydrophobicContact CB-CG2 4.16Å; E393-V397 PolarHBondContact O-N 3.41Å; E393-V397 PolarHBondContact OE2-N 3.37Å; E393-A398 VanDerWaalsContact O-CB 3.32Å; E393-A398 WeakPolarHBondContact O-CB 3.47Å; E393-A398 PolarHBondContact O-N 3.36Å
394A96.4Very high98.1Very high16 Ų1626.2 Ų26.213%0.13214%0.136CC..Iπ-helixtrans-67-50.3-167.400000114.2F179 F361 P392 T399F179-A394 HydrophobicContact CB-CB 4.38Å; F179-A394 WeakPolarHBondContact CB-O 3.44Å; F179-A394 HydrophobicContact CD1-CB 3.57Å; F179-A394 HydrophobicContact CD2-CB 3.7Å; F179-A394 HydrophobicContact CE1-CB 3.65Å; F179-A394 HydrophobicContact CE2-CB 3.83Å; F179-A394 HydrophobicContact CG-CB 3.59Å; F179-A394 HydrophobicContact CZ-CB 3.78Å; F361-A394 HydrophobicContact CD1-CB 4.48Å; P392-A394 PolarHBondContact O-N 3.35Å; A394-T399 PolarHBondContact O-N 3.46Å; A394-T399 VanDerWaalsContact O-N 3.09Å; A394-T399 PolarHBondContact O-OG1 2.95Å
395G94.7Very high98.2Very high20 Ų2018.7 Ų18.721%0.20610%0.103CC..Iπ-helixtrans-82.5-29.2-165.100000115.6E393 T399E393-G395 PolarHBondContact OE1-N 2.61Å; E393-G395 PolarHBondContact OE2-N 3.15Å; E393-G395 VanDerWaalsContact OE2-N 3.1Å; G395-T399 VanDerWaalsContact O-CB 3.25Å; G395-T399 WeakPolarHBondContact O-CB 3.14Å
396Y97.1Very high98.2Very high6 Ų617.5 Ų17.52%0.02410%0.097CC..Iπ-helixtrans-136.1-4.2-165.1-50-64.3000113.6F44 F48 H218 P351 M356 E393 P400F44-Y396 AromaticContact CD1-CD1 3.7Å; F44-Y396 HydrophobicContact CD1-CD1 3.7Å; F44-Y396 AromaticContact CD1-CE1 3.32Å; F44-Y396 HydrophobicContact CD1-CE1 3.32Å; F44-Y396 AromaticContact CD1-CZ 3.84Å; F44-Y396 AromaticContact CE1-CD1 3.53Å; F44-Y396 HydrophobicContact CE1-CD1 3.53Å; F44-Y396 HydrophobicContact CE1-CD2 4.1Å; F44-Y396 AromaticContact CE1-CE1 3.38Å; F44-Y396 HydrophobicContact CE1-CE1 3.38Å; F44-Y396 AromaticContact CE1-CE2 3.94Å; F44-Y396 HydrophobicContact CE1-CE2 3.94Å; F44-Y396 AromaticContact CE1-CG 3.91Å; F44-Y396 HydrophobicContact CE1-CG 3.91Å; F44-Y396 AromaticContact CE1-CZ 3.6Å; F48-Y396 WeakPolarHBondContact CB-O 3.44Å; F48-Y396 AromaticContact CD2-CD1 3.96Å; F48-Y396 HydrophobicContact CD2-CD1 3.96Å; F48-Y396 HydrophobicContact CD2-CG 4.24Å; F48-Y396 AromaticContact CE2-CD1 3.95Å; F48-Y396 HydrophobicContact CE2-CD1 3.95Å; F48-Y396 HydrophobicContact CE2-CG 4.06Å; H218-Y396 HydrophobicContact CB-CE1 4.3Å; H218-Y396 WeakPolarHBondContact CB-OH 3.15Å; H218-Y396 PolarHBondContact N-OH 2.92Å; P351-Y396 VanDerWaalsContact CD-CE2 3.44Å; P351-Y396 HydrophobicContact CG-CD2 3.32Å; P351-Y396 HydrophobicContact CG-CE2 3.37Å; P351-Y396 HydrophobicContact CG-CG 4.38Å; M356-Y396 WeakPolarHBondContact SD-CB 3.38Å; M356-Y396 HydrophobicContact SD-CD2 4.01Å; M356-Y396 HydrophobicContact SD-CG 4.03Å; E393-Y396 WeakPolarHBondContact OE2-CA 3.37Å; E393-Y396 PolarHBondContact OE2-N 3.31Å; Y396-P400 WeakPolarHBondContact O-CG 3.33Å
397V98.2Very high98.2Very high51 Ų5113.1 Ų13.131%0.3098%0.081SC..Iπ-helixtrans-113.2-60.6165.7-170.50000109.8M356 P392 E393 T399 P400 I401M356-V397 HydrophobicContact CB-CG2 4.35Å; P392-V397 HydrophobicContact CB-CB 4.01Å; P392-V397 HydrophobicContact CB-CG1 3.68Å; P392-V397 HydrophobicContact CG-CB 3.92Å; P392-V397 HydrophobicContact CG-CG1 3.45Å; P392-V397 VanDerWaalsContact CG-CG1 3.45Å; E393-V397 HydrophobicContact CB-CG2 4.16Å; E393-V397 PolarHBondContact O-N 3.41Å; E393-V397 PolarHBondContact OE2-N 3.37Å; V397-T399 PolarHBondContact O-N 2.81Å; V397-P400 WeakPolarHBondContact O-CD 3.25Å; V397-I401 HydrophobicContact CG1-CD1 3.92Å; V397-I401 VanDerWaalsContact O-CD1 3.32Å; V397-I401 WeakPolarHBondContact O-CD1 3.23Å; V397-I401 VanDerWaalsContact O-CG1 3.29Å; V397-I401 WeakPolarHBondContact O-CG1 3.39Å; V397-I401 PolarHBondContact O-N 3.24Å
398A98.6Very high98.2Very high0 Ų013.1 Ų13.10%08%0.081CC..Iπ-helixtrans-67.2-35-177.500000113.3F361 P392 E393 I401 A402 I444F361-A398 HydrophobicContact CD1-CB 4.29Å; F361-A398 HydrophobicContact CE1-CB 3.66Å; P392-A398 HydrophobicContact CG-CB 4.3Å; E393-A398 VanDerWaalsContact O-CB 3.32Å; E393-A398 WeakPolarHBondContact O-CB 3.47Å; E393-A398 PolarHBondContact O-N 3.36Å; A398-I401 PolarHBondContact O-N 3.38Å; A398-A402 VanDerWaalsContact O-CB 3.23Å; A398-A402 WeakPolarHBondContact O-CB 3.46Å; A398-A402 PolarHBondContact O-N 3.48Å; A398-I444 HydrophobicContact CB-CD1 3.94Å; A398-I444 HydrophobicContact CB-CG1 4.3Å
399T98.6Very high98.2Very high5 Ų512.2 Ų12.23%0.0318%0.076CC..Hα-helixtrans-64-52.3177.4-69.90000112.9T45 I148 F179 A394 G395 V397 I401 A402 M403T45-T399 HydrophobicContact CG2-CG2 4.14Å; I148-T399 HydrophobicContact CB-CG2 4Å; I148-T399 HydrophobicContact CD1-CG2 3.82Å; I148-T399 HydrophobicContact CG2-CG2 3.74Å; F179-T399 WeakPolarHBondContact CB-OG1 3.32Å; F179-T399 PolarHBondContact N-OG1 3.19Å; A394-T399 PolarHBondContact O-N 3.46Å; A394-T399 VanDerWaalsContact O-N 3.09Å; A394-T399 PolarHBondContact O-OG1 2.95Å; G395-T399 VanDerWaalsContact O-CB 3.25Å; G395-T399 WeakPolarHBondContact O-CB 3.14Å; V397-T399 PolarHBondContact O-N 2.81Å; T399-I401 VanDerWaalsContact C-N 3.35Å; T399-I401 PolarHBondContact O-N 3.34Å; T399-A402 PolarHBondContact O-N 3.3Å; T399-M403 WeakPolarHBondContact O-CB 3.3Å; T399-M403 PolarHBondContact O-N 3.2Å
400P98.8Very high98.1Very high3 Ų312.3 Ų12.32%0.0198%0.076CC..Hα-helixtrans-53.4-48171.2-30.135.7000113.5F48 V49 E52 Y396 V397 A402 M403 V404F48-P400 HydrophobicContact CB-CB 4.42Å; F48-P400 HydrophobicContact CB-CG 3.55Å; V49-P400 HydrophobicContact CG2-CB 4.21Å; V49-P400 HydrophobicContact CG2-CG 4.26Å; E52-P400 HydrophobicContact CB-CB 3.8Å; E52-P400 HydrophobicContact CG-CB 4.24Å; Y396-P400 WeakPolarHBondContact O-CG 3.33Å; V397-P400 WeakPolarHBondContact O-CD 3.25Å; P400-A402 PolarHBondContact O-N 3.17Å; P400-M403 PolarHBondContact O-N 3.43Å; P400-V404 WeakPolarHBondContact O-CB 3.25Å; P400-V404 WeakPolarHBondContact O-CG2 3.34Å; P400-V404 PolarHBondContact O-N 3.03Å
401I98.9Very high98.1Very high12 Ų129.1 Ų9.16%0.0626%0.061CC..Hα-helixtrans-55-53.8177.3-68.9160.2000109.5E52 P392 V397 A398 T399 M403 V404 Q405 L439 H442 I444E52-I401 HydrophobicContact CG-CG1 4.47Å; P392-I401 HydrophobicContact CG-CD1 4.23Å; V397-I401 HydrophobicContact CG1-CD1 3.92Å; V397-I401 VanDerWaalsContact O-CD1 3.32Å; V397-I401 WeakPolarHBondContact O-CD1 3.23Å; V397-I401 VanDerWaalsContact O-CG1 3.29Å; V397-I401 WeakPolarHBondContact O-CG1 3.39Å; V397-I401 PolarHBondContact O-N 3.24Å; A398-I401 PolarHBondContact O-N 3.38Å; T399-I401 VanDerWaalsContact C-N 3.35Å; T399-I401 PolarHBondContact O-N 3.34Å; I401-M403 VanDerWaalsContact C-N 3.31Å; I401-M403 PolarHBondContact O-N 3.47Å; I401-V404 PolarHBondContact O-N 3.42Å; I401-Q405 HydrophobicContact CG2-CG 4.04Å; I401-Q405 VanDerWaalsContact O-CB 3.27Å; I401-Q405 WeakPolarHBondContact O-CB 3.34Å; I401-Q405 WeakPolarHBondContact O-CG 3.39Å; I401-Q405 PolarHBondContact O-N 2.93Å; I401-L439 HydrophobicContact CG2-CD2 4.34Å; I401-H442 WeakPolarHBondContact CD1-O 3.47Å; I401-H442 HydrophobicContact CG2-CB 3.61Å; I401-I444 HydrophobicContact CB-CD1 4.1Å; I401-I444 HydrophobicContact CG2-CD1 3.76Å; I401-I444 HydrophobicContact CG2-CG1 4.3Å
402A98.9Very high98Very high0 Ų011.5 Ų11.50%07%0.071CC..Hα-helixtrans-58-43-177.400000112.5C177 I182 A398 T399 P400 A406 L439 I444C177-A402 CarbonylContact O-C 3.57Å; I182-A402 HydrophobicContact CB-CB 4.15Å; I182-A402 HydrophobicContact CD1-CB 3.84Å; I182-A402 WeakPolarHBondContact CD1-O 3.26Å; I182-A402 HydrophobicContact CG2-CB 4.14Å; A398-A402 VanDerWaalsContact O-CB 3.23Å; A398-A402 WeakPolarHBondContact O-CB 3.46Å; A398-A402 PolarHBondContact O-N 3.48Å; T399-A402 PolarHBondContact O-N 3.3Å; P400-A402 PolarHBondContact O-N 3.17Å; A402-A406 VanDerWaalsContact O-CB 3.3Å; A402-A406 WeakPolarHBondContact O-CB 3.48Å; A402-A406 PolarHBondContact O-N 3.4Å; A402-L439 HydrophobicContact CB-CD2 4.33Å; A402-I444 HydrophobicContact CB-CD1 4.33Å
403M98.8Very high97.8Very high0 Ų011.6 Ų11.60%07%0.068CC..Hα-helixtrans-67.8-48.2-178.8-169.3-171.5-16300112.2V49 L121 I146 I148 C177 T399 P400 I401 A406 A407V49-M403 HydrophobicContact CG1-SD 4.08Å; V49-M403 HydrophobicContact CG2-SD 4.04Å; L121-M403 HydrophobicContact CB-CE 3.5Å; L121-M403 HydrophobicContact CB-SD 4.19Å; L121-M403 HydrophobicContact CD1-SD 4.48Å; L121-M403 HydrophobicContact CD2-CE 4.14Å; L121-M403 HydrophobicContact CD2-CG 4.49Å; L121-M403 HydrophobicContact CG-CE 4.29Å; I146-M403 HydrophobicContact CG2-CE 4.14Å; I146-M403 HydrophobicContact CG2-CG 3.92Å; I146-M403 WeakPolarHBondContact O-CE 3.18Å; I148-M403 HydrophobicContact CG2-CB 3.85Å; I148-M403 HydrophobicContact CG2-CE 4.22Å; I148-M403 HydrophobicContact CG2-CG 3.83Å; I148-M403 HydrophobicContact CG2-SD 3.62Å; C177-M403 WeakPolarHBondContact O-CA 3.29Å; C177-M403 VanDerWaalsContact O-CB 3.29Å; C177-M403 WeakPolarHBondContact O-CB 3.5Å; C177-M403 PolarHBondContact O-N 3.25Å; T399-M403 WeakPolarHBondContact O-CB 3.3Å; T399-M403 PolarHBondContact O-N 3.2Å; P400-M403 PolarHBondContact O-N 3.43Å; I401-M403 VanDerWaalsContact C-N 3.31Å; I401-M403 PolarHBondContact O-N 3.47Å; M403-A406 PolarHBondContact O-N 2.72Å; M403-A407 PolarHBondContact O-N 3.04Å
404V98.9Very high97.7Very high0 Ų013 Ų130%08%0.079CC..Hα-helixtrans-70-39.8-177.6176.20000110.5V49 E52 V53 T56 L121 P400 I401 A406 A407 L408V49-V404 HydrophobicContact CG1-CG2 4.08Å; E52-V404 HydrophobicContact CB-CG2 3.99Å; E52-V404 HydrophobicContact CG-CB 3.72Å; E52-V404 HydrophobicContact CG-CG1 4.14Å; E52-V404 HydrophobicContact CG-CG2 3.68Å; V53-V404 HydrophobicContact CG2-CB 4.44Å; V53-V404 HydrophobicContact CG2-CG1 4.05Å; V53-V404 HydrophobicContact CG2-CG2 3.5Å; V53-V404 VanDerWaalsContact CG2-CG2 3.5Å; T56-V404 VanDerWaalsContact OG1-CG1 3.28Å; T56-V404 WeakPolarHBondContact OG1-CG1 3.4Å; L121-V404 HydrophobicContact CD1-CG2 4.46Å; P400-V404 WeakPolarHBondContact O-CB 3.25Å; P400-V404 WeakPolarHBondContact O-CG2 3.34Å; P400-V404 PolarHBondContact O-N 3.03Å; I401-V404 PolarHBondContact O-N 3.42Å; V404-A406 VanDerWaalsContact C-N 3.35Å; V404-A406 PolarHBondContact O-N 3.19Å; V404-A407 PolarHBondContact O-N 3.03Å; V404-L408 HydrophobicContact CG1-CD1 3.89Å; V404-L408 HydrophobicContact CG1-CG 4.3Å; V404-L408 WeakPolarHBondContact O-CB 3.41Å; V404-L408 WeakPolarHBondContact O-CG 3.38Å; V404-L408 PolarHBondContact O-N 2.88Å
405Q98.8Very high97.6Very high0 Ų017 Ų170%011%0.113CC..Hα-helixtrans-66.4-35.5175.5-63.3-45.5-43.700112.4I401 T409 L435 R438 L439 H442I401-Q405 HydrophobicContact CG2-CG 4.04Å; I401-Q405 VanDerWaalsContact O-CB 3.27Å; I401-Q405 WeakPolarHBondContact O-CB 3.34Å; I401-Q405 WeakPolarHBondContact O-CG 3.39Å; I401-Q405 PolarHBondContact O-N 2.93Å; Q405-T409 WeakPolarHBondContact O-CB 3.19Å; Q405-T409 PolarHBondContact O-N 3.31Å; Q405-T409 PolarHBondContact O-OG1 3.02Å; Q405-L435 HydrophobicContact CB-CD1 4Å; Q405-R438 HydrophobicContact CB-CB 4.41Å; Q405-R438 VanDerWaalsContact OE1-CZ 3.23Å; Q405-L439 HydrophobicContact CB-CD2 4.11Å; Q405-L439 HydrophobicContact CG-CD2 4.44Å; Q405-H442 HydrophobicContact CG-CB 4.35Å; Q405-H442 PolarHBondContact NE2-CD2 3.47Å; Q405-H442 VanDerWaalsContact NE2-CD2 3.26Å; Q405-H442 PolarHBondContact NE2-NE2 3.37Å; Q405-H442 PolarHBondContact OE1-CD2 3.28Å
406A98.8Very high97.6Very high0 Ų017.4 Ų17.40%011%0.114CC..Hα-helixtrans-61.3-44.6170.700000111.8C177 I182 A402 M403 V404 T409 M410 F430 L435C177-A406 HydrophobicContact CB-CB 4.12Å; I182-A406 HydrophobicContact CD1-CB 4.19Å; A402-A406 VanDerWaalsContact O-CB 3.3Å; A402-A406 WeakPolarHBondContact O-CB 3.48Å; A402-A406 PolarHBondContact O-N 3.4Å; M403-A406 PolarHBondContact O-N 2.72Å; V404-A406 VanDerWaalsContact C-N 3.35Å; V404-A406 PolarHBondContact O-N 3.19Å; A406-T409 PolarHBondContact O-N 2.75Å; A406-M410 PolarHBondContact O-N 3.46Å; A406-F430 HydrophobicContact CB-CE2 3.72Å; A406-F430 HydrophobicContact CB-CZ 3.81Å; A406-F430 WeakPolarHBondContact O-CE1 3.21Å; A406-F430 WeakPolarHBondContact O-CZ 3.44Å; A406-L435 HydrophobicContact CB-CD1 4.44Å
407A98.7Very high97.6Very high0 Ų017.6 Ų17.60%012%0.115CC..Hα-helixtrans-65-45.417800000112.7L36 I119 L121 I146 M403 V404 T409 M410 L411L36-A407 HydrophobicContact CD1-CB 4.28Å; L36-A407 HydrophobicContact CD2-CB 3.86Å; I119-A407 HydrophobicContact CD1-CB 4.46Å; L121-A407 HydrophobicContact CD2-CB 3.76Å; I146-A407 HydrophobicContact CD1-CB 3.86Å; M403-A407 PolarHBondContact O-N 3.04Å; V404-A407 PolarHBondContact O-N 3.03Å; A407-T409 VanDerWaalsContact C-N 3.31Å; A407-T409 PolarHBondContact O-N 2.82Å; A407-M410 WeakPolarHBondContact O-CB 3.21Å; A407-M410 PolarHBondContact O-N 3.34Å; A407-L411 WeakPolarHBondContact O-CG 3.31Å; A407-L411 PolarHBondContact O-N 3.26Å
408L98.4Very high97.5Very high0 Ų015.5 Ų15.50%010%0.103CC..Hα-helixtrans-65.3-35176.6-70.2171.6000112E59 L65 V404 L411 N412 R438E59-L408 HydrophobicContact CB-CD1 4.11Å; L65-L408 HydrophobicContact CD1-CD2 4.08Å; V404-L408 HydrophobicContact CG1-CD1 3.89Å; V404-L408 HydrophobicContact CG1-CG 4.3Å; V404-L408 WeakPolarHBondContact O-CB 3.41Å; V404-L408 WeakPolarHBondContact O-CG 3.38Å; V404-L408 PolarHBondContact O-N 2.88Å; L408-L411 PolarHBondContact O-N 2.95Å; L408-N412 VanDerWaalsContact O-CB 3.29Å; L408-N412 WeakPolarHBondContact O-CB 3.46Å; L408-N412 PolarHBondContact O-N 3.38Å; L408-N412 PolarHBondContact O-ND2 2.89Å; L408-R438 VanDerWaalsContact CB-NH2 3.34Å; L408-R438 VanDerWaalsContact CD1-NH2 3.26Å
409T98.3Very high97.2Very high0 Ų024.8 Ų24.80%014%0.143CC..Hα-helixtrans-62.8-46.4172.2-55.90000110.7Q405 A406 A407 L411 N412 E413 F430 T433 L435 R438Q405-T409 WeakPolarHBondContact O-CB 3.19Å; Q405-T409 PolarHBondContact O-N 3.31Å; Q405-T409 PolarHBondContact O-OG1 3.02Å; A406-T409 PolarHBondContact O-N 2.75Å; A407-T409 VanDerWaalsContact C-N 3.31Å; A407-T409 PolarHBondContact O-N 2.82Å; T409-L411 VanDerWaalsContact C-N 3.32Å; T409-L411 PolarHBondContact O-N 3.14Å; T409-N412 PolarHBondContact O-N 2.97Å; T409-E413 WeakPolarHBondContact O-CA 3.48Å; T409-E413 WeakPolarHBondContact O-CB 3.35Å; T409-E413 PolarHBondContact O-N 3.24Å; T409-F430 HydrophobicContact CG2-CD1 3.96Å; T409-F430 HydrophobicContact CG2-CE1 4.24Å; T409-T433 VanDerWaalsContact CG2-CB 3.44Å; T409-T433 HydrophobicContact CG2-CG2 3.97Å; T409-T433 VanDerWaalsContact CG2-OG1 3.32Å; T409-T433 WeakPolarHBondContact CG2-OG1 3.39Å; T409-L435 HydrophobicContact CG2-CB 4.22Å; T409-R438 VanDerWaalsContact OG1-CD 3.3Å; T409-R438 WeakPolarHBondContact OG1-CD 3.37Å
410M97.6Very high97Very high1 Ų130.9 Ų30.91%0.00517%0.169CC..Hα-helixtrans-59.8-41.1177.3172.6166.8-162.400112.5V26 I119 H144 F172 I174 A406 A407 L417 F430V26-M410 HydrophobicContact CG1-CE 4.24Å; V26-M410 HydrophobicContact CG1-CG 4.35Å; I119-M410 HydrophobicContact CD1-CB 4.19Å; I119-M410 HydrophobicContact CD1-CG 3.87Å; I119-M410 HydrophobicContact CD1-SD 3.83Å; I119-M410 HydrophobicContact CG1-SD 4.48Å; H144-M410 HydrophobicContact CB-CE 3.77Å; H144-M410 HydrophobicContact CB-SD 4.14Å; H144-M410 WeakPolarHBondContact CD2-CE 3.29Å; F172-M410 HydrophobicContact CB-CE 3.7Å; F172-M410 HydrophobicContact CB-SD 4.46Å; F172-M410 HydrophobicContact CD2-CE 3.65Å; F172-M410 HydrophobicContact CG-CE 3.79Å; I174-M410 HydrophobicContact CD1-SD 4.24Å; A406-M410 PolarHBondContact O-N 3.46Å; A407-M410 WeakPolarHBondContact O-CB 3.21Å; A407-M410 PolarHBondContact O-N 3.34Å; M410-L417 HydrophobicContact CB-CD1 4.29Å; M410-L417 HydrophobicContact CE-CD1 4.08Å; M410-L417 HydrophobicContact CG-CD1 3.74Å; M410-F430 HydrophobicContact CB-CE1 4.27Å
411L97.2Very high96.9Very high8 Ų830.8 Ų30.84%0.04217%0.169CC..Hα-helixtrans-70-39.4178.8-70.5172.6000113V26 H35 L36 P61 L65 V118 I119 A407 L408 T409V26-L411 HydrophobicContact CB-CD2 4.3Å; H35-L411 HydrophobicContact CB-CD1 3.83Å; H35-L411 HydrophobicContact CB-CD2 4.2Å; L36-L411 HydrophobicContact CD2-CD1 3.83Å; L36-L411 HydrophobicContact CG-CD1 4.3Å; P61-L411 HydrophobicContact CG-CB 3.76Å; P61-L411 HydrophobicContact CG-CD1 4.48Å; L65-L411 HydrophobicContact CD1-CD1 3.73Å; V118-L411 HydrophobicContact CG1-CD2 4.09Å; I119-L411 HydrophobicContact CD1-CD1 4.41Å; I119-L411 HydrophobicContact CD1-CD2 3.77Å; I119-L411 HydrophobicContact CD1-CG 3.72Å; I119-L411 HydrophobicContact CG1-CD2 4.17Å; A407-L411 WeakPolarHBondContact O-CG 3.31Å; A407-L411 PolarHBondContact O-N 3.26Å; L408-L411 PolarHBondContact O-N 2.95Å; T409-L411 VanDerWaalsContact C-N 3.32Å; T409-L411 PolarHBondContact O-N 3.14Å
412N95.9Very high96.8Very high62 Ų6230.2 Ų30.233%0.33217%0.166SC..Hα-helixtrans-89.1-25-174.3-71.5-46.3000113.5E59 L408 T409E59-N412 PolarHBondContact O-ND2 2.63Å; L408-N412 VanDerWaalsContact O-CB 3.29Å; L408-N412 WeakPolarHBondContact O-CB 3.46Å; L408-N412 PolarHBondContact O-N 3.38Å; L408-N412 PolarHBondContact O-ND2 2.89Å; T409-N412 PolarHBondContact O-N 2.97Å
413E95.5Very high96.8Very high41 Ų4130.6 Ų30.619%0.19217%0.168CC..  trans-127.747-174.7-60.3171.8-136.300113.2T409 A415 A416 T433 T434T409-E413 WeakPolarHBondContact O-CA 3.48Å; T409-E413 WeakPolarHBondContact O-CB 3.35Å; T409-E413 PolarHBondContact O-N 3.24Å; E413-A415 PolarHBondContact O-N 2.99Å; E413-A415 VanDerWaalsContact O-N 3.09Å; E413-A416 HydrophobicContact CB-CB 4.25Å; E413-A416 PolarHBondContact O-N 2.88Å; E413-T433 VanDerWaalsContact OE2-CA 3.29Å; E413-T433 WeakPolarHBondContact OE2-CA 3.38Å; E413-T433 VanDerWaalsContact OE2-CB 3.31Å; E413-T433 WeakPolarHBondContact OE2-CB 3.32Å; E413-T434 WeakPolarHBondContact OE1-CB 3.3Å; E413-T434 PolarHBondContact OE1-OG1 3.37Å; E413-T434 PolarHBondContact OE2-N 2.86Å
414P94.4Very high96.8Very high48 Ų4831.8 Ų31.831%0.31217%0.173SC..G310 helixtrans-59.8-28.2-176.326.5-37.1000113.3V26 A416 L417V26-P414 HydrophobicContact CB-CB 4.46Å; V26-P414 HydrophobicContact CG1-CB 4.05Å; V26-P414 HydrophobicContact CG2-CB 3.56Å; V26-P414 HydrophobicContact CG2-CG 3.56Å; P414-A416 VanDerWaalsContact C-N 3.25Å; P414-A416 PolarHBondContact O-N 3.31Å; P414-L417 PolarHBondContact O-N 2.82Å
415A94.4Very high96.8Very high101 Ų10132 Ų3284%0.83517%0.174SC*.G310 helixtrans-71.1-18178.600000113.8E413E413-A415 PolarHBondContact O-N 2.99Å; E413-A415 VanDerWaalsContact O-N 3.09Å
416A95.9Very high96.8Very high28 Ų2832 Ų3223%0.23117%0.174CC..G310 helixtrans-94.3-6.5179.900000113.3E413 P414 T433E413-A416 HydrophobicContact CB-CB 4.25Å; E413-A416 PolarHBondContact O-N 2.88Å; P414-A416 VanDerWaalsContact C-N 3.25Å; P414-A416 PolarHBondContact O-N 3.31Å; A416-T433 HydrophobicContact CB-CG2 3.78Å
417L96.5Very high96.8Very high10 Ų1032 Ų325%0.05217%0.174CC..SBendtrans-73.8167.6173.6-60176.2000111.7F172 M410 P414 F430 T433F172-L417 HydrophobicContact CE1-CB 4.17Å; F172-L417 HydrophobicContact CZ-CB 4.38Å; M410-L417 HydrophobicContact CB-CD1 4.29Å; M410-L417 HydrophobicContact CE-CD1 4.08Å; M410-L417 HydrophobicContact CG-CD1 3.74Å; P414-L417 PolarHBondContact O-N 2.82Å; L417-F430 HydrophobicContact CD2-CD1 3.92Å; L417-F430 HydrophobicContact CD2-CE1 3.8Å; L417-T433 HydrophobicContact CD2-CG2 4.27Å
418P96.1Very high96.8Very high7 Ų732.1 Ų32.15%0.04518%0.175CC..  trans-51.5146.2171-28.535.8000112.7F172 F287 K420 Y424 A429F172-P418 HydrophobicContact CE1-CB 4.19Å; F172-P418 HydrophobicContact CE1-CG 4.42Å; F172-P418 WeakPolarHBondContact CZ-O 3.24Å; F287-P418 HydrophobicContact CE1-CG 4.36Å; F287-P418 HydrophobicContact CZ-CB 3.94Å; F287-P418 HydrophobicContact CZ-CG 3.83Å; P418-K420 PolarHBondContact O-N 2.77Å; P418-Y424 HydrophobicContact CB-CE1 3.97Å; P418-Y424 HydrophobicContact CB-CE2 4.31Å; P418-Y424 HydrophobicContact CG-CD1 4.13Å; P418-Y424 HydrophobicContact CG-CE1 3.88Å; P418-Y424 HydrophobicContact CG-CE2 4.33Å; P418-Y424 HydrophobicContact CG-CG 4.5Å; P418-A429 WeakPolarHBondContact CD-O 3.41Å
419K92.4Very high96.8Very high194 Ų19432.2 Ų32.284%0.84318%0.176SC*.SBendtrans-62-18.4-173.4-66.6-175.1178.5178.20114.8
420K94.1Very high96.8Very high134 Ų13432.2 Ų32.258%0.58318%0.176SC*.SBendtrans-129.9155.3-178.4-64.5-178.7-179.9177.60108.3F172 P418 Y424F172-K420 WeakPolarHBondContact CE1-O 3.38Å; F172-K420 VanDerWaalsContact CZ-O 3.25Å; F172-K420 WeakPolarHBondContact CZ-O 3.09Å; P418-K420 PolarHBondContact O-N 2.77Å; K420-Y424 PolarHBondContact O-OH 3.49Å
421G96.4Very high96.8Very high1 Ų132.9 Ų32.91%0.0118%0.181CC..  trans-59.7173.216200000111A167 V171 Y424A167-G421 VanDerWaalsContact CA-C 3.44Å; A167-G421 WeakPolarHBondContact CA-O 3.32Å; A167-G421 WeakPolarHBondContact CB-O 3.4Å; V171-G421 CarbonylContact O-C 3.59Å; V171-G421 WeakPolarHBondContact O-CA 3.32Å; G421-Y424 PolarHBondContact O-OH 2.96Å
422G97.8Very high96.8Very high0 Ų038.4 Ų38.40%021%0.205CC..EExtended strand (participates in β ladder)trans152.7-174.3-174.400000111.6V171 V173 Y424V171-G422 PolarHBondContact O-N 3.01Å; V173-G422 PolarHBondContact N-O 2.86Å; G422-Y424 VanDerWaalsContact C-CE2 3.49Å; G422-Y424 WeakPolarHBondContact O-CD2 3.42Å
423V98.6Very high96.9Very high7 Ų736.5 Ų36.54%0.04220%0.196CC..EExtended strand (participates in β ladder)trans-109.4115.8177.2-178.30000109.5M158 Q159 V173M158-V423 HydrophobicContact CB-CG1 4.28Å; Q159-V423 HydrophobicContact CB-CB 4.18Å; Q159-V423 HydrophobicContact CB-CG1 3.89Å; Q159-V423 HydrophobicContact CG-CB 4.37Å; V173-V423 HydrophobicContact CB-CB 4.35Å; V173-V423 HydrophobicContact CB-CG1 4.33Å; V173-V423 HydrophobicContact CB-CG2 3.89Å; V173-V423 HydrophobicContact CG1-CG1 4.19Å; V173-V423 HydrophobicContact CG1-CG2 4.28Å; V173-V423 HydrophobicContact CG2-CG2 4.27Å; V173-V423 CarbonylContact O-C 3.57Å; V173-V423 VanDerWaalsContact O-CA 3.29Å; V173-V423 WeakPolarHBondContact O-CA 3.37Å
424Y98.6Very high97.1Very high26 Ų2637.3 Ų37.310%0.10220%0.203CC..EExtended strand (participates in β ladder)trans-121.4152.3-168.7-61.7-75.7000112.3F172 V173 I174 G175 F287 P418 K420 G421 G422 A428F172-Y424 AromaticContact CD1-CD2 3.82Å; F172-Y424 HydrophobicContact CD1-CD2 3.82Å; F172-Y424 AromaticContact CD1-CE2 3.65Å; F172-Y424 HydrophobicContact CD1-CE2 3.65Å; F172-Y424 HydrophobicContact CE1-CD2 4.42Å; F172-Y424 AromaticContact CE1-CE2 3.88Å; F172-Y424 HydrophobicContact CE1-CE2 3.88Å; V173-Y424 PolarHBondContact O-N 2.99Å; I174-Y424 WeakPolarHBondContact CA-O 3.22Å; G175-Y424 PolarHBondContact N-O 2.83Å; G175-Y424 VanDerWaalsContact N-O 3.17Å; F287-Y424 HydrophobicContact CD2-CD1 4.23Å; F287-Y424 AromaticContact CD2-CE1 3.91Å; F287-Y424 HydrophobicContact CD2-CE1 3.91Å; F287-Y424 HydrophobicContact CE2-CD1 4.08Å; F287-Y424 AromaticContact CE2-CE1 3.45Å; F287-Y424 HydrophobicContact CE2-CE1 3.45Å; F287-Y424 VanDerWaalsContact CE2-CE1 3.45Å; F287-Y424 HydrophobicContact CZ-CD1 4.5Å; F287-Y424 HydrophobicContact CZ-CE1 4.03Å; P418-Y424 HydrophobicContact CB-CE1 3.97Å; P418-Y424 HydrophobicContact CB-CE2 4.31Å; P418-Y424 HydrophobicContact CG-CD1 4.13Å; P418-Y424 HydrophobicContact CG-CE1 3.88Å; P418-Y424 HydrophobicContact CG-CE2 4.33Å; P418-Y424 HydrophobicContact CG-CG 4.5Å; K420-Y424 PolarHBondContact O-OH 3.49Å; G421-Y424 PolarHBondContact O-OH 2.96Å; G422-Y424 VanDerWaalsContact C-CE2 3.49Å; G422-Y424 WeakPolarHBondContact O-CD2 3.42Å; Y424-A428 HydrophobicContact CD1-CB 4.05Å
425S98.7Very high97.3Very high3 Ų335 Ų352%0.02119%0.189CC..  trans-80.1162.915745.90000110.2T284 G427 A428 A429T284-S425 WeakPolarHBondContact CA-OG 3.33Å; T284-S425 PolarHBondContact N-OG 3.36Å; T284-S425 VanDerWaalsContact OG1-CB 3.31Å; T284-S425 WeakPolarHBondContact OG1-CB 3.19Å; T284-S425 PolarHBondContact OG1-OG 3.24Å; S425-G427 PolarHBondContact O-N 3.11Å; S425-A428 PolarHBondContact O-N 3.18Å; S425-A428 WeakPolarHBondContact OG-CB 3.37Å; S425-A429 PolarHBondContact O-N 3.4Å
426P98.6Very high97.5Very high0 Ų031.2 Ų31.20%015%0.154CC..Hα-helixtrans-57.8-46.5-179.7-24.235000112.6G175 S176 I182 D185 A428 A429 F430G175-P426 VanDerWaalsContact O-CD 3.3Å; G175-P426 WeakPolarHBondContact O-CD 3.32Å; G175-P426 WeakPolarHBondContact O-CG 3.33Å; S176-P426 WeakPolarHBondContact O-CG 3.45Å; I182-P426 HydrophobicContact CD1-CB 4.43Å; I182-P426 HydrophobicContact CG1-CB 3.7Å; I182-P426 HydrophobicContact CG1-CG 3.87Å; D185-P426 WeakPolarHBondContact OD2-CD 3.03Å; P426-A428 VanDerWaalsContact C-N 3.32Å; P426-A428 PolarHBondContact O-N 3.24Å; P426-A429 PolarHBondContact O-N 3.05Å; P426-F430 HydrophobicContact CB-CD2 4.35Å; P426-F430 WeakPolarHBondContact O-CB 3.41Å; P426-F430 VanDerWaalsContact O-CD2 3.27Å; P426-F430 WeakPolarHBondContact O-CD2 3.48Å; P426-F430 PolarHBondContact O-N 3.07Å
427G98.5Very high97.6Very high0 Ų034.1 Ų34.10%017%0.166CC..Hα-helixtrans-66.1-31.3178.600000113.4D185 S425 A431D185-G427 WeakPolarHBondContact OD2-CA 3.37Å; D185-G427 PolarHBondContact OD2-N 3.35Å; S425-G427 PolarHBondContact O-N 3.11Å; G427-A431 WeakPolarHBondContact O-CB 3.23Å; G427-A431 PolarHBondContact O-N 3.12Å
428A98.5Very high97.7Very high3 Ų335 Ų353%0.02517%0.169CC..Hα-helixtrans-68.1-40.3172.800000111.8T284 F287 Y424 S425 P426T284-A428 PolarHBondContact OG1-N 3.34Å; F287-A428 HydrophobicContact CB-CB 3.85Å; F287-A428 HydrophobicContact CD1-CB 3.47Å; F287-A428 VanDerWaalsContact CD1-CB 3.47Å; F287-A428 HydrophobicContact CD2-CB 4.44Å; F287-A428 HydrophobicContact CE1-CB 4.13Å; F287-A428 VanDerWaalsContact CE1-O 3.25Å; F287-A428 WeakPolarHBondContact CE1-O 3.22Å; F287-A428 HydrophobicContact CG-CB 3.66Å; Y424-A428 HydrophobicContact CD1-CB 4.05Å; S425-A428 PolarHBondContact O-N 3.18Å; S425-A428 WeakPolarHBondContact OG-CB 3.37Å; P426-A428 VanDerWaalsContact C-N 3.32Å; P426-A428 PolarHBondContact O-N 3.24Å
429A98.5Very high97.8Very high2 Ų234.7 Ų34.72%0.01717%0.166CC..Hα-helixtrans-77.4-38.5-178.100000113.2I174 P418 S425 P426I174-A429 HydrophobicContact CD1-CB 3.76Å; I174-A429 HydrophobicContact CG1-CB 4.21Å; I174-A429 HydrophobicContact CG2-CB 3.95Å; P418-A429 WeakPolarHBondContact CD-O 3.41Å; S425-A429 PolarHBondContact O-N 3.4Å; P426-A429 PolarHBondContact O-N 3.05Å
430F98.7Very high98.1Very high0 Ų027.3 Ų27.30%014%0.136CC..Hα-helixtrans-115.74.2-164.7-58.9-63.8000114.6I174 M186 A406 T409 M410 L417 P426 K432 T433 L435I174-F430 HydrophobicContact CD1-CE1 4.35Å; I174-F430 HydrophobicContact CD1-CE2 3.96Å; I174-F430 HydrophobicContact CD1-CZ 3.58Å; I174-F430 HydrophobicContact CG2-CE2 3.96Å; M186-F430 HydrophobicContact CE-CB 4.16Å; M186-F430 HydrophobicContact SD-CB 4.19Å; A406-F430 HydrophobicContact CB-CE2 3.72Å; A406-F430 HydrophobicContact CB-CZ 3.81Å; A406-F430 WeakPolarHBondContact O-CE1 3.21Å; A406-F430 WeakPolarHBondContact O-CZ 3.44Å; T409-F430 HydrophobicContact CG2-CD1 3.96Å; T409-F430 HydrophobicContact CG2-CE1 4.24Å; M410-F430 HydrophobicContact CB-CE1 4.27Å; L417-F430 HydrophobicContact CD2-CD1 3.92Å; L417-F430 HydrophobicContact CD2-CE1 3.8Å; P426-F430 HydrophobicContact CB-CD2 4.35Å; P426-F430 WeakPolarHBondContact O-CB 3.41Å; P426-F430 VanDerWaalsContact O-CD2 3.27Å; P426-F430 WeakPolarHBondContact O-CD2 3.48Å; P426-F430 PolarHBondContact O-N 3.07Å; F430-K432 PolarHBondContact O-N 3.16Å; F430-T433 HydrophobicContact CB-CG2 4.48Å; F430-T433 WeakPolarHBondContact CB-OG1 3.42Å; F430-T433 HydrophobicContact CD1-CG2 4.09Å; F430-T433 PolarHBondContact O-N 3.31Å; F430-T433 VanDerWaalsContact O-N 3.1Å; F430-T433 PolarHBondContact O-OG1 3.38Å; F430-L435 HydrophobicContact CB-CB 4.09Å; F430-L435 HydrophobicContact CB-CD2 3.64Å; F430-L435 HydrophobicContact CD1-CD2 4.4Å; F430-L435 HydrophobicContact CD2-CD2 3.58Å; F430-L435 HydrophobicContact CE2-CD2 4.31Å; F430-L435 HydrophobicContact CG-CB 4.47Å; F430-L435 HydrophobicContact CG-CD2 3.63Å
431A97.8Very high98.3Very high15 Ų1529.1 Ų29.112%0.12414%0.144CC..THydrogen-bonded Turntrans-61.3-12.4-179.700000115.4I189 L288 G427I189-A431 HydrophobicContact CD1-CB 4.06Å; I189-A431 HydrophobicContact CG1-CB 4.3Å; I189-A431 HydrophobicContact CG2-CB 4.05Å; L288-A431 HydrophobicContact CD2-CB 4.18Å; G427-A431 WeakPolarHBondContact O-CB 3.23Å; G427-A431 PolarHBondContact O-N 3.12Å
432K97.4Very high98.4Very high124 Ų12431.1 Ų31.154%0.53915%0.153SC..THydrogen-bonded Turntrans-118.115.1178.9-63.8-175.8178.1175.90112.9Y292 F430Y292-K432 VanDerWaalsContact CE1-NZ 3.33Å; Y292-K432 HydrophobicContact CE2-CD 4.19Å; F430-K432 PolarHBondContact O-N 3.16Å
433T98.4Very high98.4Very high23 Ų2332.7 Ų32.714%0.14117%0.169CC..SBendtrans-112.3174.9-177.671.60000111.6T409 E413 A416 L417 F430 L435T409-T433 VanDerWaalsContact CG2-CB 3.44Å; T409-T433 HydrophobicContact CG2-CG2 3.97Å; T409-T433 VanDerWaalsContact CG2-OG1 3.32Å; T409-T433 WeakPolarHBondContact CG2-OG1 3.39Å; E413-T433 VanDerWaalsContact OE2-CA 3.29Å; E413-T433 WeakPolarHBondContact OE2-CA 3.38Å; E413-T433 VanDerWaalsContact OE2-CB 3.31Å; E413-T433 WeakPolarHBondContact OE2-CB 3.32Å; A416-T433 HydrophobicContact CB-CG2 3.78Å; L417-T433 HydrophobicContact CD2-CG2 4.27Å; F430-T433 HydrophobicContact CB-CG2 4.48Å; F430-T433 WeakPolarHBondContact CB-OG1 3.42Å; F430-T433 HydrophobicContact CD1-CG2 4.09Å; F430-T433 PolarHBondContact O-N 3.31Å; F430-T433 VanDerWaalsContact O-N 3.1Å; F430-T433 PolarHBondContact O-OG1 3.38Å; T433-L435 PolarHBondContact O-N 3.03Å; T433-L435 PolarHBondContact OG1-N 3.36Å
434T98.1Very high98.4Very high57 Ų5732.4 Ų32.435%0.3517%0.167SC..SBendtrans-85.118.2174.779.60000114.1E413 I436 D437 R438E413-T434 WeakPolarHBondContact OE1-CB 3.3Å; E413-T434 PolarHBondContact OE1-OG1 3.37Å; E413-T434 PolarHBondContact OE2-N 2.86Å; T434-I436 VanDerWaalsContact C-N 3.26Å; T434-I436 PolarHBondContact O-N 3.35Å; T434-I436 VanDerWaalsContact O-N 3.16Å; T434-D437 WeakPolarHBondContact O-CB 3.3Å; T434-D437 PolarHBondContact O-N 3.49Å; T434-R438 PolarHBondContact O-N 3.49Å
435L98.8Very high98.4Very high0 Ų035.3 Ų35.30%018%0.183CC..Hα-helixtrans-52.7-43.3-177.2177.559000112.2I182 M186 Q405 A406 T409 F430 T433 D437 R438 L439I182-L435 HydrophobicContact CD1-CD2 4.46Å; M186-L435 HydrophobicContact CE-CB 4.5Å; M186-L435 HydrophobicContact CE-CD2 4.38Å; M186-L435 HydrophobicContact CG-CD2 4.26Å; M186-L435 HydrophobicContact SD-CD2 4.35Å; Q405-L435 HydrophobicContact CB-CD1 4Å; A406-L435 HydrophobicContact CB-CD1 4.44Å; T409-L435 HydrophobicContact CG2-CB 4.22Å; F430-L435 HydrophobicContact CB-CB 4.09Å; F430-L435 HydrophobicContact CB-CD2 3.64Å; F430-L435 HydrophobicContact CD1-CD2 4.4Å; F430-L435 HydrophobicContact CD2-CD2 3.58Å; F430-L435 HydrophobicContact CE2-CD2 4.31Å; F430-L435 HydrophobicContact CG-CB 4.47Å; F430-L435 HydrophobicContact CG-CD2 3.63Å; T433-L435 PolarHBondContact O-N 3.03Å; T433-L435 PolarHBondContact OG1-N 3.36Å; L435-D437 VanDerWaalsContact C-N 3.34Å; L435-D437 PolarHBondContact O-N 3.1Å; L435-R438 PolarHBondContact O-N 2.88Å; L435-L439 HydrophobicContact CD1-CD1 4.19Å; L435-L439 HydrophobicContact CD1-CD2 4.41Å; L435-L439 HydrophobicContact CD1-CG 4.03Å; L435-L439 HydrophobicContact CG-CD1 3.91Å; L435-L439 HydrophobicContact CG-CG 4.24Å; L435-L439 WeakPolarHBondContact O-CB 3.46Å; L435-L439 VanDerWaalsContact O-CG 3.22Å; L435-L439 WeakPolarHBondContact O-CG 3.43Å; L435-L439 PolarHBondContact O-N 3.24Å
436I98.8Very high98.4Very high22 Ų2235.7 Ų35.711%0.11318%0.184CC..Hα-helixtrans-60.9-42.1177.7-70.7163.6000111.6M186 Y190 T434 R438 L439 N440 F446M186-I436 HydrophobicContact CB-CG1 4.28Å; M186-I436 HydrophobicContact CE-CD1 3.87Å; M186-I436 HydrophobicContact CE-CG1 3.85Å; Y190-I436 HydrophobicContact CD2-CD1 4.22Å; Y190-I436 HydrophobicContact CD2-CG2 4.09Å; Y190-I436 HydrophobicContact CE2-CG2 4.5Å; T434-I436 VanDerWaalsContact C-N 3.26Å; T434-I436 PolarHBondContact O-N 3.35Å; T434-I436 VanDerWaalsContact O-N 3.16Å; I436-R438 VanDerWaalsContact C-N 3.31Å; I436-R438 PolarHBondContact O-N 2.76Å; I436-L439 PolarHBondContact O-N 2.89Å; I436-N440 VanDerWaalsContact O-CG 3.31Å; I436-N440 PolarHBondContact O-N 3.41Å; I436-N440 PolarHBondContact O-ND2 3.42Å; I436-F446 HydrophobicContact CG1-CD1 4.45Å; I436-F446 HydrophobicContact CG1-CE1 4.29Å; I436-F446 HydrophobicContact CG1-CZ 4.38Å; I436-F446 HydrophobicContact CG2-CB 3.96Å; I436-F446 HydrophobicContact CG2-CD1 4.2Å; I436-F446 HydrophobicContact CG2-CD2 3.88Å; I436-F446 HydrophobicContact CG2-CE2 4.45Å; I436-F446 HydrophobicContact CG2-CG 3.76Å
437D98.6Very high98.4Very high88 Ų8837.3 Ų37.347%0.47120%0.195SC..Hα-helixtrans-65.8-37178.4-63.5-31.3000111.7T434 L435 K441T434-D437 WeakPolarHBondContact O-CB 3.3Å; T434-D437 PolarHBondContact O-N 3.49Å; L435-D437 VanDerWaalsContact C-N 3.34Å; L435-D437 PolarHBondContact O-N 3.1Å; D437-K441 WeakPolarHBondContact O-CG 3.44Å; D437-K441 PolarHBondContact O-N 3.08Å; D437-K441 VanDerWaalsContact O-N 3.14Å
438R98.3Very high98.4Very high30 Ų3040.8 Ų40.811%0.11322%0.216CC..Hα-helixtrans-66.3-46.4174.1-64.2-178.765.380.114.6111.1E59 Q405 L408 T409 T434 L435 I436 N440 K441 H442E59-R438 IonicContact OE2-CZ 3.6Å; E59-R438 IonicContact OE2-NH1 3.9Å; E59-R438 IonicContact OE2-NH2 2.69Å; E59-R438 PolarHBondContact OE2-NH2 3.46Å; Q405-R438 HydrophobicContact CB-CB 4.41Å; Q405-R438 VanDerWaalsContact OE1-CZ 3.23Å; L408-R438 VanDerWaalsContact CB-NH2 3.34Å; L408-R438 VanDerWaalsContact CD1-NH2 3.26Å; T409-R438 VanDerWaalsContact OG1-CD 3.3Å; T409-R438 WeakPolarHBondContact OG1-CD 3.37Å; T434-R438 PolarHBondContact O-N 3.49Å; L435-R438 PolarHBondContact O-N 2.88Å; I436-R438 VanDerWaalsContact C-N 3.31Å; I436-R438 PolarHBondContact O-N 2.76Å; R438-N440 VanDerWaalsContact C-N 3.31Å; R438-N440 PolarHBondContact O-N 2.88Å; R438-K441 PolarHBondContact O-N 3.4Å; R438-K441 VanDerWaalsContact O-N 3.15Å; R438-H442 PolarHBondContact O-CD2 3.46Å; R438-H442 PolarHBondContact O-N 3.06Å; R438-H442 VanDerWaalsContact O-N 3.1Å
439L98.8Very high98.2Very high0 Ų046.2 Ų46.20%024%0.244CC..Hα-helixtrans-57.7-43.6175.9-69.5171.5000111.6I182 I401 A402 Q405 L435 I436 K441 H442 G443 I444 F446I182-L439 HydrophobicContact CG2-CD1 3.6Å; I182-L439 HydrophobicContact CG2-CD2 4.48Å; I401-L439 HydrophobicContact CG2-CD2 4.34Å; A402-L439 HydrophobicContact CB-CD2 4.33Å; Q405-L439 HydrophobicContact CB-CD2 4.11Å; Q405-L439 HydrophobicContact CG-CD2 4.44Å; L435-L439 HydrophobicContact CD1-CD1 4.19Å; L435-L439 HydrophobicContact CD1-CD2 4.41Å; L435-L439 HydrophobicContact CD1-CG 4.03Å; L435-L439 HydrophobicContact CG-CD1 3.91Å; L435-L439 HydrophobicContact CG-CG 4.24Å; L435-L439 WeakPolarHBondContact O-CB 3.46Å; L435-L439 VanDerWaalsContact O-CG 3.22Å; L435-L439 WeakPolarHBondContact O-CG 3.43Å; L435-L439 PolarHBondContact O-N 3.24Å; I436-L439 PolarHBondContact O-N 2.89Å; L439-K441 PolarHBondContact O-N 3.46Å; L439-H442 CarbonylContact O-C 3.55Å; L439-H442 PolarHBondContact O-N 3.17Å; L439-H442 VanDerWaalsContact O-N 3.09Å; L439-G443 PolarHBondContact O-N 2.83Å; L439-G443 VanDerWaalsContact O-N 3.13Å; L439-I444 CarbonylContact C-O 3.53Å; L439-I444 HydrophobicContact CB-CB 4.11Å; L439-I444 HydrophobicContact CB-CG2 4.41Å; L439-I444 HydrophobicContact CD2-CD1 3.98Å; L439-I444 PolarHBondContact O-N 3.22Å; L439-F446 HydrophobicContact CB-CE2 3.98Å; L439-F446 HydrophobicContact CD1-CE2 3.82Å; L439-F446 HydrophobicContact CD1-CZ 4.06Å
440N98.7Very high98.1Very high38 Ų3848.5 Ų48.520%0.20326%0.255CS..Hα-helixtrans-56.7-47.7174.7-76.7-27.7000111.7I436 R438 H442 G443 I444 M445 F446I436-N440 VanDerWaalsContact O-CG 3.31Å; I436-N440 PolarHBondContact O-N 3.41Å; I436-N440 PolarHBondContact O-ND2 3.42Å; R438-N440 VanDerWaalsContact C-N 3.31Å; R438-N440 PolarHBondContact O-N 2.88Å; N440-H442 PolarHBondContact O-N 3.29Å; N440-G443 PolarHBondContact O-N 3.28Å; N440-I444 WeakPolarHBondContact CA-O 3.34Å; N440-I444 PolarHBondContact N-O 2.94Å; N440-I444 PolarHBondContact OD1-O 3.31Å; N440-M445 HydrophobicContact CB-SD 4.39Å; N440-M445 VanDerWaalsContact OD1-CA 3.27Å; N440-M445 WeakPolarHBondContact OD1-CA 3.49Å; N440-F446 PolarHBondContact OD1-N 2.89Å
441K98.4Very high98.1Very high172 Ų17251 Ų5175%0.74827%0.269SS*.Hα-helixtrans-62.6-26.6178.3-72171.9-176.3174.90113.2D437 R438 L439D437-K441 WeakPolarHBondContact O-CG 3.44Å; D437-K441 PolarHBondContact O-N 3.08Å; D437-K441 VanDerWaalsContact O-N 3.14Å; R438-K441 PolarHBondContact O-N 3.4Å; R438-K441 VanDerWaalsContact O-N 3.15Å; L439-K441 PolarHBondContact O-N 3.46Å
442H98.4Very high98.1Very high43 Ų4353 Ų5320%0.19928%0.277CS..THydrogen-bonded Turntrans-102.917.7-178.4-71-74.9000113.2E59 I401 Q405 R438 L439 N440E59-H442 IonicContact OE1-CE1 2.97Å; E59-H442 PolarHBondContact OE1-CE1 3.31Å; E59-H442 IonicContact OE1-NE2 2.66Å; E59-H442 PolarHBondContact OE1-NE2 2.99Å; E59-H442 IonicContact OE2-CE1 3.78Å; E59-H442 IonicContact OE2-NE2 2.79Å; E59-H442 PolarHBondContact OE2-NE2 3.01Å; E59-H442 VanDerWaalsContact OE2-NE2 3.09Å; I401-H442 WeakPolarHBondContact CD1-O 3.47Å; I401-H442 HydrophobicContact CG2-CB 3.61Å; Q405-H442 HydrophobicContact CG-CB 4.35Å; Q405-H442 PolarHBondContact NE2-CD2 3.47Å; Q405-H442 VanDerWaalsContact NE2-CD2 3.26Å; Q405-H442 PolarHBondContact NE2-NE2 3.37Å; Q405-H442 PolarHBondContact OE1-CD2 3.28Å; R438-H442 PolarHBondContact O-CD2 3.46Å; R438-H442 PolarHBondContact O-N 3.06Å; R438-H442 VanDerWaalsContact O-N 3.1Å; L439-H442 CarbonylContact O-C 3.55Å; L439-H442 PolarHBondContact O-N 3.17Å; L439-H442 VanDerWaalsContact O-N 3.09Å; N440-H442 PolarHBondContact O-N 3.29Å
443G97.9Very high98.2Very high33 Ų3348.8 Ų48.834%0.3426%0.262SS..THydrogen-bonded Turntrans88.77.4168.500000116G391 P392 L439 N440G391-G443 WeakPolarHBondContact CA-O 3.33Å; P392-G443 WeakPolarHBondContact CD-O 3.34Å; L439-G443 PolarHBondContact O-N 2.83Å; L439-G443 VanDerWaalsContact O-N 3.13Å; N440-G443 PolarHBondContact O-N 3.28Å
444I98.7Very high98.2Very high1 Ų150.4 Ų50.41%0.00527%0.269CS..  trans-101.193.9166.1-61.6171.2000107.6F361 I389 Q390 A398 I401 A402 L439 N440 F446F361-I444 HydrophobicContact CZ-CG2 4.12Å; I389-I444 HydrophobicContact CG2-CG2 4.08Å; Q390-I444 CarbonylContact O-C 3.54Å; A398-I444 HydrophobicContact CB-CD1 3.94Å; A398-I444 HydrophobicContact CB-CG1 4.3Å; I401-I444 HydrophobicContact CB-CD1 4.1Å; I401-I444 HydrophobicContact CG2-CD1 3.76Å; I401-I444 HydrophobicContact CG2-CG1 4.3Å; A402-I444 HydrophobicContact CB-CD1 4.33Å; L439-I444 CarbonylContact C-O 3.53Å; L439-I444 HydrophobicContact CB-CB 4.11Å; L439-I444 HydrophobicContact CB-CG2 4.41Å; L439-I444 HydrophobicContact CD2-CD1 3.98Å; L439-I444 PolarHBondContact O-N 3.22Å; N440-I444 WeakPolarHBondContact CA-O 3.34Å; N440-I444 PolarHBondContact N-O 2.94Å; N440-I444 PolarHBondContact OD1-O 3.31Å; I444-F446 HydrophobicContact CG2-CE2 3.85Å; I444-F446 WeakPolarHBondContact O-CD2 3.25Å
445M98.7Very high98.2Very high88 Ų8850 Ų5043%0.43326%0.264SS..EExtended strand (participates in β ladder)trans-91.3123.5-166.5-62.7-66.1-63.800112.3I389 Q390 N440I389-M445 CarbonylContact C-O 3.56Å; I389-M445 WeakPolarHBondContact CA-O 3.47Å; Q390-M445 HydrophobicContact CG-CB 3.95Å; Q390-M445 PolarHBondContact N-O 3.15Å; Q390-M445 PolarHBondContact O-N 3.06Å; N440-M445 HydrophobicContact CB-SD 4.39Å; N440-M445 VanDerWaalsContact OD1-CA 3.27Å; N440-M445 WeakPolarHBondContact OD1-CA 3.49Å
446F98.8Very high98.1Very high10 Ų1053.6 Ų53.64%0.04428%0.282CS..EExtended strand (participates in β ladder)trans-103.1130.3172.7-66.9-110.7000109.6M186 Y190 L388 I389 I436 L439 N440 I444M186-F446 HydrophobicContact CB-CE1 4.08Å; M186-F446 HydrophobicContact CB-CZ 4.1Å; Y190-F446 HydrophobicContact CD1-CB 4.13Å; Y190-F446 HydrophobicContact CD1-CD1 4.18Å; Y190-F446 HydrophobicContact CD2-CB 4.07Å; Y190-F446 HydrophobicContact CD2-CD1 4.35Å; Y190-F446 HydrophobicContact CE1-CB 4.08Å; Y190-F446 HydrophobicContact CE2-CB 4.01Å; Y190-F446 HydrophobicContact CG-CB 4.13Å; Y190-F446 AromaticContact CG-CD1 3.85Å; Y190-F446 HydrophobicContact CG-CD1 3.85Å; Y190-F446 HydrophobicContact CG-CG 4.44Å; L388-F446 WeakPolarHBondContact O-CA 3.49Å; I389-F446 HydrophobicContact CD1-CD1 4.11Å; I389-F446 HydrophobicContact CD1-CE1 4.46Å; I389-F446 HydrophobicContact CG1-CD1 3.36Å; I389-F446 HydrophobicContact CG1-CE1 3.5Å; I389-F446 VanDerWaalsContact CG1-CE1 3.5Å; I389-F446 HydrophobicContact CG1-CG 3.94Å; I389-F446 HydrophobicContact CG1-CZ 4.19Å; I389-F446 HydrophobicContact CG2-CD1 4.42Å; I389-F446 HydrophobicContact CG2-CD2 4.36Å; I389-F446 HydrophobicContact CG2-CE1 4.16Å; I389-F446 HydrophobicContact CG2-CE2 4.11Å; I389-F446 HydrophobicContact CG2-CG 4.5Å; I389-F446 HydrophobicContact CG2-CZ 3.99Å; I436-F446 HydrophobicContact CG1-CD1 4.45Å; I436-F446 HydrophobicContact CG1-CE1 4.29Å; I436-F446 HydrophobicContact CG1-CZ 4.38Å; I436-F446 HydrophobicContact CG2-CB 3.96Å; I436-F446 HydrophobicContact CG2-CD1 4.2Å; I436-F446 HydrophobicContact CG2-CD2 3.88Å; I436-F446 HydrophobicContact CG2-CE2 4.45Å; I436-F446 HydrophobicContact CG2-CG 3.76Å; L439-F446 HydrophobicContact CB-CE2 3.98Å; L439-F446 HydrophobicContact CD1-CE2 3.82Å; L439-F446 HydrophobicContact CD1-CZ 4.06Å; N440-F446 PolarHBondContact OD1-N 2.89Å; I444-F446 HydrophobicContact CG2-CE2 3.85Å; I444-F446 WeakPolarHBondContact O-CD2 3.25Å
447S98.6Very high98.1Very high34 Ų3456 Ų5624%0.23830%0.296CS..EExtended strand (participates in β ladder)trans-150.7152.1-178.3530000112.7Y190 T387 L388Y190-S447 WeakPolarHBondContact OH-CA 3.46Å; T387-S447 CarbonylContact C-O 3.57Å; T387-S447 WeakPolarHBondContact CA-O 3.25Å; T387-S447 VanDerWaalsContact CB-O 3.26Å; T387-S447 WeakPolarHBondContact CB-O 3.47Å; L388-S447 PolarHBondContact N-O 3.12Å; L388-S447 PolarHBondContact O-N 3.45Å; L388-S447 PolarHBondContact O-OG 3.5Å
448V97.9Very high98Very high73 Ų7353.3 Ų53.344%0.44228%0.281SS..EExtended strand (participates in β ladder)trans-89.2138.1166.1-175.50000108Y190 Q194 I385 T387Y190-V448 HydrophobicContact CE1-CG2 4.29Å; Q194-V448 HydrophobicContact CB-CG2 3.74Å; Q194-V448 HydrophobicContact CG-CG2 3.67Å; I385-V448 HydrophobicContact CD1-CG1 4.27Å; I385-V448 HydrophobicContact CD1-CG2 4.48Å; I385-V448 HydrophobicContact CG1-CG1 4.2Å; T387-V448 HydrophobicContact CG2-CG2 4.24Å
449I93.3Very high98Very high118 Ų11855.5 Ų55.561%0.60530%0.296SS*.  trans-131.40-176.857.2166.7000113.8R386 L388R386-I449 HydrophobicContact CB-CG1 3.9Å; R386-I449 HydrophobicContact CG-CD1 3.66Å; R386-I449 HydrophobicContact CG-CG1 3.57Å; R386-I449 PolarHBondContact O-N 3.09Å; L388-I449 HydrophobicContact CB-CD1 3.96Å; L388-I449 HydrophobicContact CB-CG1 4.33Å; L388-I449 HydrophobicContact CB-CG2 4.05Å; L388-I449 HydrophobicContact CD2-CG2 4.43Å

Retrieved 449 of 449 residues in 154.5 ms (Link to these results)

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