A0A5K4ENT5_SCHMA Loading...

Protein shisa-5

AlphaFold DB , UniProt , Accession A0A5K4ENT5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 201 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
1M50.2Low63.8Low251 Ų251146.5 Ų146.5100%1.23668%0.679SS**  044.20-139.3106.3146.800111.4
2S58.3Low64.8Low82 Ų82143.2 Ų143.257%0.57367%0.668SS**  trans-1381.1-175.4610000114.9
3W54.5Low65.7Low231 Ų231140.2 Ų140.288%0.87566%0.657SS**Hα-helixtrans-84-17.6-178.7-87.281000113.9
4F51.9Low66.3Low175 Ų175138.6 Ų138.677%0.76865%0.648SS**Hα-helixtrans-80.4-26.6-178.2-121.6-90.5000113.1
5D61.3Low66.8Low129 Ų129135.5 Ų135.569%0.6964%0.636SS**Hα-helixtrans-70.2-40.4-177.4-159.2-97000112.5R7 A9D5-R7 PolarHBondContact O-N 2.79Å; D5-A9 WeakPolarHBondContact O-CB 3.26Å; D5-A9 PolarHBondContact O-N 3.37Å
6N62.9Low67Low89 Ų89134.1 Ų134.148%0.47663%0.633SS.*Hα-helixtrans-66.1-39-179.9-92.4-60.8000112.8A9 Y10N6-A9 PolarHBondContact O-N 3.11Å; N6-Y10 HydrophobicContact CB-CD2 4.3Å; N6-Y10 HydrophobicContact CB-CE2 4.09Å; N6-Y10 WeakPolarHBondContact O-CD2 3.4Å; N6-Y10 PolarHBondContact O-N 2.78Å
7R68.8Low67.3Low210 Ų210135.7 Ų135.779%0.79264%0.637SS**Hα-helixtrans-66.1-42-175.8-116-175.6-174.3-144.72.1112.4D5 F11D5-R7 PolarHBondContact O-N 2.79Å; R7-F11 WeakPolarHBondContact O-CB 3.34Å; R7-F11 PolarHBondContact O-N 3.11Å; R7-F11 VanDerWaalsContact O-N 3.08Å
8E72.4Confident67.3Low114 Ų114137.7 Ų137.753%0.53364%0.638SS.*Hα-helixtrans-64.9-43.8174.9-67.2-68.8147.800110.8Y10 F11 I12E8-Y10 PolarHBondContact O-N 3.14Å; E8-F11 WeakPolarHBondContact O-CB 2.87Å; E8-F11 PolarHBondContact O-N 2.73Å; E8-F11 VanDerWaalsContact O-N 3.14Å; E8-I12 WeakPolarHBondContact O-CG1 3.1Å; E8-I12 PolarHBondContact O-N 3.08Å
9A71.2Confident67.3Low38 Ų38133.1 Ų133.131%0.31463%0.626SS.*Hα-helixtrans-61-43.9177.300000112.5D5 N6 F11 I12 I13D5-A9 WeakPolarHBondContact O-CB 3.26Å; D5-A9 PolarHBondContact O-N 3.37Å; N6-A9 PolarHBondContact O-N 3.11Å; A9-F11 VanDerWaalsContact C-N 3.31Å; A9-F11 PolarHBondContact O-N 3.24Å; A9-I12 PolarHBondContact O-N 3.13Å; A9-I13 WeakPolarHBondContact O-CB 3.28Å; A9-I13 WeakPolarHBondContact O-CD1 3.4Å; A9-I13 VanDerWaalsContact O-CG1 3.24Å; A9-I13 WeakPolarHBondContact O-CG1 3.25Å; A9-I13 PolarHBondContact O-N 3.2Å
10Y74.2Confident67.5Low161 Ų161129.9 Ų129.963%0.63162%0.616SS**Hα-helixtrans-63.4-37174.8-77.2-64.9000112.2N6 E8 F14N6-Y10 HydrophobicContact CB-CD2 4.3Å; N6-Y10 HydrophobicContact CB-CE2 4.09Å; N6-Y10 WeakPolarHBondContact O-CD2 3.4Å; N6-Y10 PolarHBondContact O-N 2.78Å; E8-Y10 PolarHBondContact O-N 3.14Å; Y10-F14 VanDerWaalsContact O-CB 3.29Å; Y10-F14 WeakPolarHBondContact O-CB 3.31Å; Y10-F14 PolarHBondContact O-N 2.83Å
11F75.9Confident67.7Low132 Ų132125.7 Ų125.758%0.57961%0.607SS**Hα-helixtrans-67.6-43.3178.3-154.6-103.8000111.6R7 E8 A9 F14 I15R7-F11 WeakPolarHBondContact O-CB 3.34Å; R7-F11 PolarHBondContact O-N 3.11Å; R7-F11 VanDerWaalsContact O-N 3.08Å; E8-F11 WeakPolarHBondContact O-CB 2.87Å; E8-F11 PolarHBondContact O-N 2.73Å; E8-F11 VanDerWaalsContact O-N 3.14Å; A9-F11 VanDerWaalsContact C-N 3.31Å; A9-F11 PolarHBondContact O-N 3.24Å; F11-F14 PolarHBondContact O-N 3.11Å; F11-I15 HydrophobicContact CD1-CD1 3.54Å; F11-I15 HydrophobicContact CD1-CG1 4.36Å; F11-I15 HydrophobicContact CE1-CD1 3.51Å; F11-I15 HydrophobicContact CE1-CG1 4.36Å; F11-I15 HydrophobicContact CZ-CD1 4.46Å; F11-I15 WeakPolarHBondContact O-CG1 3.43Å; F11-I15 PolarHBondContact O-N 2.95Å
12I76.2Confident68.9Low106 Ų106116.5 Ų116.554%0.54457%0.571SS.*Hα-helixtrans-63.3-45.9175.7-65.6165.8000110.8E8 A9 F14 I15 L16E8-I12 WeakPolarHBondContact O-CG1 3.1Å; E8-I12 PolarHBondContact O-N 3.08Å; A9-I12 PolarHBondContact O-N 3.13Å; I12-F14 VanDerWaalsContact C-N 3.31Å; I12-F14 PolarHBondContact O-N 3.29Å; I12-I15 PolarHBondContact O-N 2.97Å; I12-L16 VanDerWaalsContact O-CB 3.3Å; I12-L16 WeakPolarHBondContact O-CB 3.07Å; I12-L16 PolarHBondContact O-N 2.91Å
13I76.4Confident69.9Low104 Ų104116.2 Ų116.253%0.53357%0.566SS.*Hα-helixtrans-63.1-39.9178.1-67.8165.4000110.9A9 L16 K17A9-I13 WeakPolarHBondContact O-CB 3.28Å; A9-I13 WeakPolarHBondContact O-CD1 3.4Å; A9-I13 VanDerWaalsContact O-CG1 3.24Å; A9-I13 WeakPolarHBondContact O-CG1 3.25Å; A9-I13 PolarHBondContact O-N 3.2Å; I13-L16 PolarHBondContact O-N 2.96Å; I13-K17 VanDerWaalsContact O-CB 3.29Å; I13-K17 WeakPolarHBondContact O-CB 3.16Å; I13-K17 PolarHBondContact O-N 3.37Å
14F73.8Confident71.1Confident119 Ų119110.5 Ų110.552%0.52255%0.552SS.*Hα-helixtrans-62.3-53.7176.1-171.9-101.1000110.3Y10 F11 I12 L16 K17 W18Y10-F14 VanDerWaalsContact O-CB 3.29Å; Y10-F14 WeakPolarHBondContact O-CB 3.31Å; Y10-F14 PolarHBondContact O-N 2.83Å; F11-F14 PolarHBondContact O-N 3.11Å; I12-F14 VanDerWaalsContact C-N 3.31Å; I12-F14 PolarHBondContact O-N 3.29Å; F14-L16 VanDerWaalsContact C-N 3.3Å; F14-L16 PolarHBondContact O-N 3.21Å; F14-K17 PolarHBondContact O-N 2.93Å; F14-K17 VanDerWaalsContact O-N 3.09Å; F14-W18 AromaticContact CD1-CD1 3.48Å; F14-W18 VanDerWaalsContact CD1-CD1 3.48Å; F14-W18 AromaticContact CD1-NE1 3.63Å; F14-W18 AromaticContact CD2-CD1 3.96Å; F14-W18 AromaticContact CD2-NE1 3.63Å; F14-W18 AromaticContact CE1-CD1 3.41Å; F14-W18 VanDerWaalsContact CE1-CD1 3.41Å; F14-W18 HydrophobicContact CE1-CG 4.48Å; F14-W18 AromaticContact CE1-NE1 3.12Å; F14-W18 AromaticContact CE2-CD1 3.91Å; F14-W18 AromaticContact CE2-NE1 3.13Å; F14-W18 AromaticContact CG-CD1 3.79Å; F14-W18 AromaticContact CG-NE1 3.88Å; F14-W18 AromaticContact CZ-CD1 3.66Å; F14-W18 AromaticContact CZ-CE2 3.72Å; F14-W18 HydrophobicContact CZ-CZ2 4.1Å; F14-W18 AromaticContact CZ-NE1 2.87Å; F14-W18 PolarHBondContact O-N 2.79Å
15I73.7Confident72.6Confident92 Ų92103.7 Ų103.747%0.47253%0.531SS..Hα-helixtrans-56.7-45177.6-68.2170.2000111F11 I12 K17 W18 A19F11-I15 HydrophobicContact CD1-CD1 3.54Å; F11-I15 HydrophobicContact CD1-CG1 4.36Å; F11-I15 HydrophobicContact CE1-CD1 3.51Å; F11-I15 HydrophobicContact CE1-CG1 4.36Å; F11-I15 HydrophobicContact CZ-CD1 4.46Å; F11-I15 WeakPolarHBondContact O-CG1 3.43Å; F11-I15 PolarHBondContact O-N 2.95Å; I12-I15 PolarHBondContact O-N 2.97Å; I15-K17 VanDerWaalsContact C-N 3.33Å; I15-K17 PolarHBondContact O-N 2.98Å; I15-W18 PolarHBondContact O-N 2.58Å; I15-A19 VanDerWaalsContact O-CB 3.28Å; I15-A19 WeakPolarHBondContact O-CB 3.28Å; I15-A19 PolarHBondContact O-N 3.31Å
16L70.8Confident73.8Confident113 Ų113101.5 Ų101.559%0.59252%0.522SS*.Hα-helixtrans-60.3-45.2178.4-163.174.6000110.4I12 I13 F14 W18 A19 T20I12-L16 VanDerWaalsContact O-CB 3.3Å; I12-L16 WeakPolarHBondContact O-CB 3.07Å; I12-L16 PolarHBondContact O-N 2.91Å; I13-L16 PolarHBondContact O-N 2.96Å; F14-L16 VanDerWaalsContact C-N 3.3Å; F14-L16 PolarHBondContact O-N 3.21Å; L16-W18 PolarHBondContact O-N 3.47Å; L16-A19 PolarHBondContact O-N 2.91Å; L16-T20 PolarHBondContact O-N 3.44Å; L16-T20 PolarHBondContact O-OG1 3.32Å
17K71.9Confident74.8Confident161 Ų161102.4 Ų102.470%0.753%0.526SS*.Hα-helixtrans-64.9-36.5178.6-169.4165.9178.2170.70113I13 F14 I15 G21I13-K17 VanDerWaalsContact O-CB 3.29Å; I13-K17 WeakPolarHBondContact O-CB 3.16Å; I13-K17 PolarHBondContact O-N 3.37Å; F14-K17 PolarHBondContact O-N 2.93Å; F14-K17 VanDerWaalsContact O-N 3.09Å; I15-K17 VanDerWaalsContact C-N 3.33Å; I15-K17 PolarHBondContact O-N 2.98Å; K17-G21 PolarHBondContact O-N 3.25Å
18W66.3Low75.6Confident171 Ų17195 Ų9565%0.64851%0.51SS*.Hα-helixtrans-70.9-38.1172.6-7894.7000112.2F14 I15 L16 G21 A22F14-W18 AromaticContact CD1-CD1 3.48Å; F14-W18 VanDerWaalsContact CD1-CD1 3.48Å; F14-W18 AromaticContact CD1-NE1 3.63Å; F14-W18 AromaticContact CD2-CD1 3.96Å; F14-W18 AromaticContact CD2-NE1 3.63Å; F14-W18 AromaticContact CE1-CD1 3.41Å; F14-W18 VanDerWaalsContact CE1-CD1 3.41Å; F14-W18 HydrophobicContact CE1-CG 4.48Å; F14-W18 AromaticContact CE1-NE1 3.12Å; F14-W18 AromaticContact CE2-CD1 3.91Å; F14-W18 AromaticContact CE2-NE1 3.13Å; F14-W18 AromaticContact CG-CD1 3.79Å; F14-W18 AromaticContact CG-NE1 3.88Å; F14-W18 AromaticContact CZ-CD1 3.66Å; F14-W18 AromaticContact CZ-CE2 3.72Å; F14-W18 HydrophobicContact CZ-CZ2 4.1Å; F14-W18 AromaticContact CZ-NE1 2.87Å; F14-W18 PolarHBondContact O-N 2.79Å; I15-W18 PolarHBondContact O-N 2.58Å; L16-W18 PolarHBondContact O-N 3.47Å; W18-G21 PolarHBondContact O-N 2.91Å; W18-A22 WeakPolarHBondContact O-CB 3.23Å; W18-A22 PolarHBondContact O-N 3.25Å
19A68Low76.3Confident50 Ų5095.2 Ų95.241%0.41351%0.513SS..Hα-helixtrans-64.6-46.2174.800000110.9I15 L16 G21 A22 T23I15-A19 VanDerWaalsContact O-CB 3.28Å; I15-A19 WeakPolarHBondContact O-CB 3.28Å; I15-A19 PolarHBondContact O-N 3.31Å; L16-A19 PolarHBondContact O-N 2.91Å; A19-G21 VanDerWaalsContact C-N 3.33Å; A19-G21 PolarHBondContact O-N 3.35Å; A19-A22 PolarHBondContact O-N 2.92Å; A19-T23 WeakPolarHBondContact O-CG2 3.5Å; A19-T23 PolarHBondContact O-N 2.71Å; A19-T23 PolarHBondContact O-OG1 2.78Å
20T70.7Confident77.1Confident69 Ų6998 Ų9842%0.42352%0.522SS..Hα-helixtrans-67.5-35.3175.6-31.50000111.7L16 T23 L24L16-T20 PolarHBondContact O-N 3.44Å; L16-T20 PolarHBondContact O-OG1 3.32Å; T20-T23 WeakPolarHBondContact CA-OG1 3.18Å; T20-T23 PolarHBondContact O-N 3.09Å; T20-T23 PolarHBondContact O-OG1 3.4Å; T20-L24 HydrophobicContact CG2-CD1 4.42Å; T20-L24 WeakPolarHBondContact O-CB 3.41Å; T20-L24 WeakPolarHBondContact O-CG 3.47Å; T20-L24 PolarHBondContact O-N 3.42Å
21G73Confident77.7Confident42 Ų4295 Ų9543%0.43352%0.517SS..Hα-helixtrans-63.7-42.8173.900000112.1K17 W18 A19 G25K17-G21 PolarHBondContact O-N 3.25Å; W18-G21 PolarHBondContact O-N 2.91Å; A19-G21 VanDerWaalsContact C-N 3.33Å; A19-G21 PolarHBondContact O-N 3.35Å; G21-G25 PolarHBondContact O-N 3.42Å
22A75.4Confident78.4Confident58 Ų5893.2 Ų93.248%0.47952%0.517SS..Hα-helixtrans-66.4-43.3176.200000111.7W18 A19 G25 V26W18-A22 WeakPolarHBondContact O-CB 3.23Å; W18-A22 PolarHBondContact O-N 3.25Å; A19-A22 PolarHBondContact O-N 2.92Å; A22-G25 PolarHBondContact O-N 3.3Å; A22-V26 WeakPolarHBondContact O-CB 3.05Å; A22-V26 VanDerWaalsContact O-CG2 3.22Å; A22-V26 WeakPolarHBondContact O-CG2 3.2Å; A22-V26 PolarHBondContact O-N 2.75Å
23T79.4Confident79Confident77 Ų7792.5 Ų92.547%0.47251%0.513SS..Hα-helixtrans-65.9-41.817856.20000111.9A19 T20 G25 V26 L27A19-T23 WeakPolarHBondContact O-CG2 3.5Å; A19-T23 PolarHBondContact O-N 2.71Å; A19-T23 PolarHBondContact O-OG1 2.78Å; T20-T23 WeakPolarHBondContact CA-OG1 3.18Å; T20-T23 PolarHBondContact O-N 3.09Å; T20-T23 PolarHBondContact O-OG1 3.4Å; T23-G25 VanDerWaalsContact C-N 3.35Å; T23-V26 PolarHBondContact O-N 2.94Å; T23-L27 WeakPolarHBondContact O-CB 2.96Å; T23-L27 WeakPolarHBondContact O-CG 3.33Å; T23-L27 PolarHBondContact O-N 2.79Å
24L79.1Confident79.6Confident111 Ų11193.5 Ų93.558%0.58151%0.514SS*.Hα-helixtrans-64.3-39.2174.5-70.4173.2000112T20 L27 A28T20-L24 HydrophobicContact CG2-CD1 4.42Å; T20-L24 WeakPolarHBondContact O-CB 3.41Å; T20-L24 WeakPolarHBondContact O-CG 3.47Å; T20-L24 PolarHBondContact O-N 3.42Å; L24-L27 PolarHBondContact O-N 2.79Å; L24-A28 WeakPolarHBondContact O-CB 3.11Å; L24-A28 PolarHBondContact O-N 3.46Å
25G82.7Confident80.1Confident31 Ų3192.1 Ų92.132%0.3251%0.512SS..Hα-helixtrans-64.8-45.8175.500000112.7G21 A22 T23 A28 I29G21-G25 PolarHBondContact O-N 3.42Å; A22-G25 PolarHBondContact O-N 3.3Å; T23-G25 VanDerWaalsContact C-N 3.35Å; G25-A28 PolarHBondContact O-N 2.84Å; G25-I29 VanDerWaalsContact O-CG1 3.3Å; G25-I29 WeakPolarHBondContact O-CG1 3.48Å; G25-I29 PolarHBondContact O-N 3.46Å
26V86.2Confident80.6Confident84 Ų8492.2 Ų92.251%0.50951%0.513SS..Hα-helixtrans-63.4-43.6176.41730000110.6A22 T23 A28 I29 L30A22-V26 WeakPolarHBondContact O-CB 3.05Å; A22-V26 VanDerWaalsContact O-CG2 3.22Å; A22-V26 WeakPolarHBondContact O-CG2 3.2Å; A22-V26 PolarHBondContact O-N 2.75Å; T23-V26 PolarHBondContact O-N 2.94Å; V26-A28 VanDerWaalsContact C-N 3.34Å; V26-A28 PolarHBondContact O-N 3.28Å; V26-I29 PolarHBondContact O-N 3.42Å; V26-L30 HydrophobicContact CG1-CD1 3.96Å; V26-L30 HydrophobicContact CG1-CG 4.36Å; V26-L30 WeakPolarHBondContact O-CB 3.45Å; V26-L30 VanDerWaalsContact O-CG 3.3Å; V26-L30 WeakPolarHBondContact O-CG 3.4Å; V26-L30 PolarHBondContact O-N 3.34Å
27L84Confident81.1Confident107 Ų10791.7 Ų91.756%0.5651%0.51SS*.Hα-helixtrans-62.2-40.7175.4-73.2172.2000111.9T23 L24 L30 L31T23-L27 WeakPolarHBondContact O-CB 2.96Å; T23-L27 WeakPolarHBondContact O-CG 3.33Å; T23-L27 PolarHBondContact O-N 2.79Å; L24-L27 PolarHBondContact O-N 2.79Å; L27-L30 PolarHBondContact O-N 3.3Å; L27-L31 WeakPolarHBondContact O-CB 3.35Å; L27-L31 PolarHBondContact O-N 2.72Å
28A85.9Confident81.4Confident54 Ų5487.7 Ų87.745%0.44650%0.496SS..Hα-helixtrans-63.8-44.2176.200000112L24 G25 V26 L31 V32L24-A28 WeakPolarHBondContact O-CB 3.11Å; L24-A28 PolarHBondContact O-N 3.46Å; G25-A28 PolarHBondContact O-N 2.84Å; V26-A28 VanDerWaalsContact C-N 3.34Å; V26-A28 PolarHBondContact O-N 3.28Å; A28-L31 PolarHBondContact O-N 2.96Å; A28-V32 WeakPolarHBondContact O-CG2 3.43Å; A28-V32 PolarHBondContact O-N 3.49Å
29I86.9Confident81.9Confident119 Ų11983.3 Ų83.361%0.6149%0.49SS*.Hα-helixtrans-64.6-43.2176.9-65.3163.8000110.6G25 V26 L31 V32 L33G25-I29 VanDerWaalsContact O-CG1 3.3Å; G25-I29 WeakPolarHBondContact O-CG1 3.48Å; G25-I29 PolarHBondContact O-N 3.46Å; V26-I29 PolarHBondContact O-N 3.42Å; I29-L31 VanDerWaalsContact C-N 3.31Å; I29-L31 PolarHBondContact O-N 2.81Å; I29-V32 PolarHBondContact O-N 3.39Å; I29-L33 VanDerWaalsContact O-CB 3.29Å; I29-L33 WeakPolarHBondContact O-CB 3.38Å; I29-L33 PolarHBondContact O-N 2.92Å
30L88.1Confident81.8Confident96 Ų9685.4 Ų85.450%0.50349%0.494SS..Hα-helixtrans-61.3-40175.1-75.1172.6000111.7V26 L27 L33 F34V26-L30 HydrophobicContact CG1-CD1 3.96Å; V26-L30 HydrophobicContact CG1-CG 4.36Å; V26-L30 WeakPolarHBondContact O-CB 3.45Å; V26-L30 VanDerWaalsContact O-CG 3.3Å; V26-L30 WeakPolarHBondContact O-CG 3.4Å; V26-L30 PolarHBondContact O-N 3.34Å; L27-L30 PolarHBondContact O-N 3.3Å; L30-L33 PolarHBondContact O-N 3.48Å; L30-F34 WeakPolarHBondContact O-CB 3.24Å; L30-F34 PolarHBondContact O-N 3.21Å
31L88.2Confident81.5Confident100 Ų10084.8 Ų84.852%0.52449%0.491SS..Hα-helixtrans-66.5-45.3176.9-149.9-173000110.9L27 A28 I29 L33 F34 L35L27-L31 WeakPolarHBondContact O-CB 3.35Å; L27-L31 PolarHBondContact O-N 2.72Å; A28-L31 PolarHBondContact O-N 2.96Å; I29-L31 VanDerWaalsContact C-N 3.31Å; I29-L31 PolarHBondContact O-N 2.81Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-L33 PolarHBondContact O-N 3.32Å; L31-F34 PolarHBondContact O-N 2.96Å; L31-L35 HydrophobicContact CD2-CD1 3.59Å; L31-L35 HydrophobicContact CD2-CD2 4.49Å; L31-L35 HydrophobicContact CD2-CG 3.69Å; L31-L35 WeakPolarHBondContact O-CB 3.16Å; L31-L35 WeakPolarHBondContact O-CG 3.48Å; L31-L35 PolarHBondContact O-N 2.96Å
32V90.4Very high80.7Confident93 Ų9391.8 Ų91.856%0.56451%0.505SS*.Hα-helixtrans-61.7-44.4175.9172.60000110.6A28 I29 F34 L35 L36A28-V32 WeakPolarHBondContact O-CG2 3.43Å; A28-V32 PolarHBondContact O-N 3.49Å; I29-V32 PolarHBondContact O-N 3.39Å; V32-F34 VanDerWaalsContact C-N 3.34Å; V32-F34 PolarHBondContact O-N 3.38Å; V32-L35 PolarHBondContact O-N 3.45Å; V32-L36 VanDerWaalsContact O-CB 3.3Å; V32-L36 WeakPolarHBondContact O-CB 3.33Å; V32-L36 PolarHBondContact O-N 3.26Å
33L88.3Confident79.9Confident91 Ų9195.5 Ų95.548%0.47652%0.517SS..Hα-helixtrans-63.3-40.7176.3-175.667.9000111.4I29 L30 L31 L36 L37I29-L33 VanDerWaalsContact O-CB 3.29Å; I29-L33 WeakPolarHBondContact O-CB 3.38Å; I29-L33 PolarHBondContact O-N 2.92Å; L30-L33 PolarHBondContact O-N 3.48Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-L33 PolarHBondContact O-N 3.32Å; L33-L36 PolarHBondContact O-N 3.25Å; L33-L37 HydrophobicContact CG-CD1 4.19Å; L33-L37 WeakPolarHBondContact O-CB 3.43Å; L33-L37 VanDerWaalsContact O-CG 3.32Å; L33-L37 WeakPolarHBondContact O-CG 3.11Å; L33-L37 PolarHBondContact O-N 2.68Å
34F87.8Confident78.6Confident126 Ų12698.4 Ų98.455%0.55352%0.523SS*.Hα-helixtrans-64.3-43.6176-176.8-102.2000111.6L30 L31 V32 L36 L37 L38L30-F34 WeakPolarHBondContact O-CB 3.24Å; L30-F34 PolarHBondContact O-N 3.21Å; L31-F34 PolarHBondContact O-N 2.96Å; V32-F34 VanDerWaalsContact C-N 3.34Å; V32-F34 PolarHBondContact O-N 3.38Å; F34-L36 VanDerWaalsContact C-N 3.33Å; F34-L36 PolarHBondContact O-N 3.5Å; F34-L37 CarbonylContact O-C 3.58Å; F34-L37 PolarHBondContact O-N 3.01Å; F34-L38 HydrophobicContact CD1-CD1 3.71Å; F34-L38 HydrophobicContact CD1-CG 4.37Å; F34-L38 HydrophobicContact CE1-CD1 3.3Å; F34-L38 HydrophobicContact CE1-CG 4.11Å; F34-L38 HydrophobicContact CZ-CD1 3.86Å; F34-L38 HydrophobicContact CZ-CG 4.29Å; F34-L38 WeakPolarHBondContact O-CB 3.37Å; F34-L38 WeakPolarHBondContact O-CG 3.33Å; F34-L38 PolarHBondContact O-N 3.41Å
35L85.1Confident77.1Confident90 Ų9094.3 Ų94.347%0.47150%0.503SS..Hα-helixtrans-63.3-39.2172.2-73.8171.9000111.5L31 V32 L38 C39L31-L35 HydrophobicContact CD2-CD1 3.59Å; L31-L35 HydrophobicContact CD2-CD2 4.49Å; L31-L35 HydrophobicContact CD2-CG 3.69Å; L31-L35 WeakPolarHBondContact O-CB 3.16Å; L31-L35 WeakPolarHBondContact O-CG 3.48Å; L31-L35 PolarHBondContact O-N 2.96Å; V32-L35 PolarHBondContact O-N 3.45Å; L35-L38 CarbonylContact O-C 3.57Å; L35-L38 PolarHBondContact O-N 3.04Å; L35-C39 VanDerWaalsContact O-CB 3.25Å; L35-C39 WeakPolarHBondContact O-CB 3.4Å; L35-C39 PolarHBondContact O-N 2.81Å; L35-C39 PolarHBondContact O-SG 2.81Å
36L83.8Confident75.5Confident93 Ų93100.5 Ų100.549%0.48753%0.529SS..Hα-helixtrans-67-41.2177.4-150.9153.9000110.4V32 L33 F34 L38 C39 L40V32-L36 VanDerWaalsContact O-CB 3.3Å; V32-L36 WeakPolarHBondContact O-CB 3.33Å; V32-L36 PolarHBondContact O-N 3.26Å; L33-L36 PolarHBondContact O-N 3.25Å; F34-L36 VanDerWaalsContact C-N 3.33Å; F34-L36 PolarHBondContact O-N 3.5Å; L36-L38 VanDerWaalsContact C-N 3.34Å; L36-C39 PolarHBondContact O-N 3.14Å; L36-L40 HydrophobicContact CD2-CD1 3.52Å; L36-L40 HydrophobicContact CD2-CD2 4.4Å; L36-L40 HydrophobicContact CD2-CG 3.79Å; L36-L40 VanDerWaalsContact O-CB 3.26Å; L36-L40 WeakPolarHBondContact O-CB 2.78Å; L36-L40 WeakPolarHBondContact O-CD1 3.27Å; L36-L40 WeakPolarHBondContact O-CG 3.42Å; L36-L40 PolarHBondContact O-N 3.19Å
37L82.4Confident73.7Confident102 Ų102107 Ų10753%0.53454%0.544SS..Hα-helixtrans-67.5-28.3172.4-76.2169.9000113.5L33 F34 L40 P41L33-L37 HydrophobicContact CG-CD1 4.19Å; L33-L37 WeakPolarHBondContact O-CB 3.43Å; L33-L37 VanDerWaalsContact O-CG 3.32Å; L33-L37 WeakPolarHBondContact O-CG 3.11Å; L33-L37 PolarHBondContact O-N 2.68Å; F34-L37 CarbonylContact O-C 3.58Å; F34-L37 PolarHBondContact O-N 3.01Å; L37-L40 HydrophobicContact CD2-CD1 4.17Å; L37-P41 WeakPolarHBondContact O-CD 3.32Å; L37-P41 VanDerWaalsContact O-CG 3.27Å; L37-P41 WeakPolarHBondContact O-CG 2.85Å
38L78.3Confident71.9Confident78 Ų78108.1 Ų108.141%0.40854%0.542SS..Hα-helixtrans-77.6-36.3169.5-75.7174.6000111.2F34 L35 L36 P41 W42F34-L38 HydrophobicContact CD1-CD1 3.71Å; F34-L38 HydrophobicContact CD1-CG 4.37Å; F34-L38 HydrophobicContact CE1-CD1 3.3Å; F34-L38 HydrophobicContact CE1-CG 4.11Å; F34-L38 HydrophobicContact CZ-CD1 3.86Å; F34-L38 HydrophobicContact CZ-CG 4.29Å; F34-L38 WeakPolarHBondContact O-CB 3.37Å; F34-L38 WeakPolarHBondContact O-CG 3.33Å; F34-L38 PolarHBondContact O-N 3.41Å; L35-L38 CarbonylContact O-C 3.57Å; L35-L38 PolarHBondContact O-N 3.04Å; L36-L38 VanDerWaalsContact C-N 3.34Å; L38-P41 WeakPolarHBondContact O-CD 3.44Å; L38-P41 WeakPolarHBondContact O-CG 3.36Å; L38-W42 PolarHBondContact O-NE1 2.62Å
39C76Confident70Confident78 Ų78109 Ų10953%0.52754%0.544SS..Hα-helixtrans-78.7-27.8179.8-72.10000113.4L35 L36 W42 N43L35-C39 VanDerWaalsContact O-CB 3.25Å; L35-C39 WeakPolarHBondContact O-CB 3.4Å; L35-C39 PolarHBondContact O-N 2.81Å; L35-C39 PolarHBondContact O-SG 2.81Å; L36-C39 PolarHBondContact O-N 3.14Å; C39-W42 PolarHBondContact O-N 3.33Å; C39-W42 VanDerWaalsContact O-N 3.1Å; C39-N43 PolarHBondContact O-N 3.04Å
40L65.4Low68Low94 Ų94107.7 Ų107.749%0.49255%0.546SS..Hα-helixtrans-58.8-49.2176.9-86.3162.2000113.2L36 L37 W42L36-L40 HydrophobicContact CD2-CD1 3.52Å; L36-L40 HydrophobicContact CD2-CD2 4.4Å; L36-L40 HydrophobicContact CD2-CG 3.79Å; L36-L40 VanDerWaalsContact O-CB 3.26Å; L36-L40 WeakPolarHBondContact O-CB 2.78Å; L36-L40 WeakPolarHBondContact O-CD1 3.27Å; L36-L40 WeakPolarHBondContact O-CG 3.42Å; L36-L40 PolarHBondContact O-N 3.19Å; L37-L40 HydrophobicContact CD2-CD1 4.17Å; L40-W42 PolarHBondContact O-N 3.35Å
41P64.6Low66.1Low57 Ų57105.9 Ų105.937%0.3754%0.54SS..Hα-helixtrans-63.1-34173.312.7-17.1000109.5L37 L38 K44 C45L37-P41 WeakPolarHBondContact O-CD 3.32Å; L37-P41 VanDerWaalsContact O-CG 3.27Å; L37-P41 WeakPolarHBondContact O-CG 2.85Å; L38-P41 WeakPolarHBondContact O-CD 3.44Å; L38-P41 WeakPolarHBondContact O-CG 3.36Å; P41-K44 CarbonylContact O-C 3.58Å; P41-C45 VanDerWaalsContact O-CA 3.25Å; P41-C45 WeakPolarHBondContact O-CA 2.85Å; P41-C45 WeakPolarHBondContact O-CB 3.25Å; P41-C45 PolarHBondContact O-N 3.34Å; P41-C45 PolarHBondContact O-SG 2.9Å
42W57.1Low64.3Low189 Ų189104 Ų10472%0.71654%0.535SS*.Hα-helixtrans-80.7-36.3-170.9-67.553.8000114.4L38 C39 L40 K44 C45 D46L38-W42 PolarHBondContact O-NE1 2.62Å; C39-W42 PolarHBondContact O-N 3.33Å; C39-W42 VanDerWaalsContact O-N 3.1Å; L40-W42 PolarHBondContact O-N 3.35Å; W42-K44 PolarHBondContact O-N 2.73Å; W42-C45 CarbonylContact O-C 3.52Å; W42-C45 PolarHBondContact O-N 3.29Å; W42-D46 PolarHBondContact O-N 3.1Å
43N57.6Low62.2Low136 Ų136109.5 Ų109.573%0.72755%0.546SS*.Hα-helixtrans-55.4-42.3171.8166-19000111.2C39C39-N43 PolarHBondContact O-N 3.04Å
44K53.6Low60.2Low138 Ų138108.5 Ų108.560%0.655%0.545SS*.Hα-helixtrans-82.3-34.5172.7-80.3178.9-178.6174.20111.1P41 W42 D46 R47 Y48P41-K44 CarbonylContact O-C 3.58Å; W42-K44 PolarHBondContact O-N 2.73Å; K44-D46 VanDerWaalsContact C-N 3.32Å; K44-D46 PolarHBondContact O-N 3.39Å; K44-R47 CarbonylContact O-C 3.58Å; K44-R47 WeakPolarHBondContact O-CA 3.34Å; K44-R47 WeakPolarHBondContact O-CB 3.4Å; K44-R47 PolarHBondContact O-N 2.91Å; K44-Y48 HydrophobicContact CB-CD2 3.73Å; K44-Y48 HydrophobicContact CB-CE2 4.27Å; K44-Y48 HydrophobicContact CG-CD2 4.35Å; K44-Y48 HydrophobicContact CG-CE2 4.42Å; K44-Y48 WeakPolarHBondContact O-CB 3.12Å; K44-Y48 WeakPolarHBondContact O-CD2 3.26Å; K44-Y48 PolarHBondContact O-N 2.62Å
45C47.5Very low58.2Low24 Ų24112.1 Ų112.116%0.16256%0.555CS.*Hα-helixtrans-75.4-8.5-175.4-70.30000113.9P41 W42 R47 Y48 C49P41-C45 VanDerWaalsContact O-CA 3.25Å; P41-C45 WeakPolarHBondContact O-CA 2.85Å; P41-C45 WeakPolarHBondContact O-CB 3.25Å; P41-C45 PolarHBondContact O-N 3.34Å; P41-C45 PolarHBondContact O-SG 2.9Å; W42-C45 CarbonylContact O-C 3.52Å; W42-C45 PolarHBondContact O-N 3.29Å; C45-R47 PolarHBondContact O-N 3.27Å; C45-Y48 PolarHBondContact O-N 3.38Å; C45-C49 VanDerWaalsContact CA-N 3.34Å; C45-C49 HydrophobicContact CB-CB 3.72Å; C45-C49 VanDerWaalsContact O-CA 3.24Å; C45-C49 WeakPolarHBondContact O-CA 3.3Å; C45-C49 WeakPolarHBondContact O-CB 3.19Å; C45-C49 PolarHBondContact O-N 3.3Å
46D47.6Very low56.5Low162 Ų162115.2 Ų115.287%0.86657%0.572SS**Hα-helixtrans-66.6-24.8160.2-111.4-26000111.8W42 K44W42-D46 PolarHBondContact O-N 3.1Å; K44-D46 VanDerWaalsContact C-N 3.32Å; K44-D46 PolarHBondContact O-N 3.39Å
47R48.7Very low54.7Low219 Ų219117.2 Ų117.283%0.82658%0.577SS**Hα-helixtrans-98-22.5168.1-66.9-170.8-171.7-163.32.2114.3K44 C45K44-R47 CarbonylContact O-C 3.58Å; K44-R47 WeakPolarHBondContact O-CA 3.34Å; K44-R47 WeakPolarHBondContact O-CB 3.4Å; K44-R47 PolarHBondContact O-N 2.91Å; C45-R47 PolarHBondContact O-N 3.27Å
48Y47.8Very low52.9Low131 Ų131116.6 Ų116.651%0.51458%0.581SS.*Hα-helixtrans-115.2-6.1-173.9-71.7-84.8000114.5K44 C45 S50 C51 C52K44-Y48 HydrophobicContact CB-CD2 3.73Å; K44-Y48 HydrophobicContact CB-CE2 4.27Å; K44-Y48 HydrophobicContact CG-CD2 4.35Å; K44-Y48 HydrophobicContact CG-CE2 4.42Å; K44-Y48 WeakPolarHBondContact O-CB 3.12Å; K44-Y48 WeakPolarHBondContact O-CD2 3.26Å; K44-Y48 PolarHBondContact O-N 2.62Å; C45-Y48 PolarHBondContact O-N 3.38Å; Y48-S50 VanDerWaalsContact C-N 3.31Å; Y48-C51 HydrophobicContact CD1-CB 4.39Å; Y48-C51 CarbonylContact O-C 3.38Å; Y48-C51 WeakPolarHBondContact O-CA 3.25Å; Y48-C51 WeakPolarHBondContact O-CB 3.48Å; Y48-C51 PolarHBondContact O-N 3.39Å; Y48-C52 WeakPolarHBondContact O-CB 3.29Å; Y48-C52 PolarHBondContact O-N 3.3Å; Y48-C52 PolarHBondContact O-SG 3.06Å; Y48-C52 VanDerWaalsContact O-SG 3.35Å
49C44Very low51.5Low73 Ų73117.9 Ų117.949%0.49360%0.596SS.*Hα-helixtrans-73.9-28.3177.4-154.60000110.4C45 C51 R53C45-C49 VanDerWaalsContact CA-N 3.34Å; C45-C49 HydrophobicContact CB-CB 3.72Å; C45-C49 VanDerWaalsContact O-CA 3.24Å; C45-C49 WeakPolarHBondContact O-CA 3.3Å; C45-C49 WeakPolarHBondContact O-CB 3.19Å; C45-C49 PolarHBondContact O-N 3.3Å; C49-C51 VanDerWaalsContact C-N 3.28Å; C49-R53 PolarHBondContact O-N 2.87Å
50S46.6Very low50.1Low92 Ų92121 Ų12164%0.64361%0.607SS**Hα-helixtrans-63.4-39164.8-1460000110.4Y48 C54Y48-S50 VanDerWaalsContact C-N 3.31Å; S50-C54 PolarHBondContact O-SG 2.9Å
51C47.8Very low49.1Very low58 Ų58121.4 Ų121.439%0.39261%0.607SS.*Hα-helixtrans-80.5-32.5-179.4-64.20000114.6Y48 C49 C54 W55Y48-C51 HydrophobicContact CD1-CB 4.39Å; Y48-C51 CarbonylContact O-C 3.38Å; Y48-C51 WeakPolarHBondContact O-CA 3.25Å; Y48-C51 WeakPolarHBondContact O-CB 3.48Å; Y48-C51 PolarHBondContact O-N 3.39Å; C49-C51 VanDerWaalsContact C-N 3.28Å; C51-C54 CarbonylContact O-C 3.4Å; C51-C54 WeakPolarHBondContact O-CB 3.3Å; C51-C54 PolarHBondContact O-N 3.3Å; C51-W55 WeakPolarHBondContact O-CB 3.22Å; C51-W55 VanDerWaalsContact O-CD1 3.3Å; C51-W55 PolarHBondContact O-N 3.27Å
52C49.6Very low48Very low61 Ų61125.7 Ų125.741%0.41263%0.627SS.*Hα-helixtrans-80.9-27.8-176.5-73.20000111.7Y48 C54 W55 L56Y48-C52 WeakPolarHBondContact O-CB 3.29Å; Y48-C52 PolarHBondContact O-N 3.3Å; Y48-C52 PolarHBondContact O-SG 3.06Å; Y48-C52 VanDerWaalsContact O-SG 3.35Å; C52-C54 VanDerWaalsContact C-N 3.3Å; C52-W55 PolarHBondContact O-N 3.37Å; C52-L56 WeakPolarHBondContact O-CB 3.44Å; C52-L56 PolarHBondContact O-N 2.81Å
53R47.5Very low47.6Very low208 Ų208123.7 Ų123.779%0.78563%0.629SS**Hα-helixtrans-68.3-31.5164.6-110.3-172170.2178.1-1.8112.2C49C49-R53 PolarHBondContact O-N 2.87Å
54C45.9Very low47Very low70 Ų70124.8 Ų124.847%0.47363%0.629SS.*Hα-helixtrans-72-40.4171-64.50000111.9S50 C51 C52 S58S50-C54 PolarHBondContact O-SG 2.9Å; C51-C54 CarbonylContact O-C 3.4Å; C51-C54 WeakPolarHBondContact O-CB 3.3Å; C51-C54 PolarHBondContact O-N 3.3Å; C52-C54 VanDerWaalsContact C-N 3.3Å; C54-S58 WeakPolarHBondContact O-CB 3.4Å; C54-S58 PolarHBondContact O-N 3.41Å
55W45Very low46.8Very low201 Ų201129 Ų12976%0.76164%0.641SS**Hα-helixtrans-75.4-35.5-177.9-92.786.1000114.3C51 C52 F57 S58 S59C51-W55 WeakPolarHBondContact O-CB 3.22Å; C51-W55 VanDerWaalsContact O-CD1 3.3Å; C51-W55 PolarHBondContact O-N 3.27Å; C52-W55 PolarHBondContact O-N 3.37Å; W55-F57 VanDerWaalsContact C-N 3.32Å; W55-F57 PolarHBondContact O-N 3.35Å; W55-S58 PolarHBondContact O-N 2.75Å; W55-S59 PolarHBondContact O-N 3.24Å
56L49.5Very low46.7Very low155 Ų155137.4 Ų137.481%0.81268%0.678SS**Hα-helixtrans-76.1-20.9-179.6-140.1113.3000112.9C52C52-L56 WeakPolarHBondContact O-CB 3.44Å; C52-L56 PolarHBondContact O-N 2.81Å
57F45.9Very low47Very low136 Ų136134 Ų13460%0.59667%0.667SS**Hα-helixtrans-91.5-27.3169.1-107-94.3000112.6W55 S59 E61W55-F57 VanDerWaalsContact C-N 3.32Å; W55-F57 PolarHBondContact O-N 3.35Å; F57-S59 VanDerWaalsContact C-N 3.28Å; F57-S59 PolarHBondContact O-N 2.79Å; F57-E61 HydrophobicContact CD1-CG 4.35Å; F57-E61 WeakPolarHBondContact CD1-OE1 3.33Å; F57-E61 WeakPolarHBondContact CE1-OE1 3.41Å; F57-E61 WeakPolarHBondContact O-CG 3.38Å
58S45.7Very low47.3Very low88 Ų88129.4 Ų129.462%0.61566%0.659SS**Hα-helixtrans-72.5-15.7-178.8-172.10000114.2C54 W55C54-S58 WeakPolarHBondContact O-CB 3.4Å; C54-S58 PolarHBondContact O-N 3.41Å; W55-S58 PolarHBondContact O-N 2.75Å
59S48.7Very low47.7Very low105 Ų105127.7 Ų127.773%0.73466%0.659SS**THydrogen-bonded Turntrans-86.3-4.8179-166.80000114.9W55 F57W55-S59 PolarHBondContact O-N 3.24Å; F57-S59 VanDerWaalsContact C-N 3.28Å; F57-S59 PolarHBondContact O-N 2.79Å
60N46.3Very low48.2Very low143 Ų143128.6 Ų128.677%0.76567%0.671SS**SBendtrans-137.720.1-176.2-156.6-2.8000115.1
61E43.8Very low48.5Very low103 Ų103131.2 Ų131.248%0.48167%0.671SS.*  trans-148.771.6173.323.9-164.2113.200109.5F57 I63F57-E61 HydrophobicContact CD1-CG 4.35Å; F57-E61 WeakPolarHBondContact CD1-OE1 3.33Å; F57-E61 WeakPolarHBondContact CE1-OE1 3.41Å; F57-E61 WeakPolarHBondContact O-CG 3.38Å; E61-I63 PolarHBondContact O-N 2.91Å
62N41.6Very low48.8Very low148 Ų148136.2 Ų136.279%0.79168%0.682SS**  trans-47.4131.3140.6-73.3-74.6000107
63I48.2Very low49.1Very low146 Ų146137.5 Ų137.575%0.74970%0.697SS**SBendtrans101.8102.4170.3-48.6151.6000113.7E61E61-I63 PolarHBondContact O-N 2.91Å
64H46.7Very low49.2Very low160 Ų160131.9 Ų131.974%0.74170%0.695SS**SBendtrans100.313.7148.2-84-53.4000125.2
65R47.6Very low49.3Very low226 Ų226135.9 Ų135.985%0.85370%0.7SS**  trans-126.939.9177.2-104.1-173.1173.6166.4-0.2117.6S67R65-S67 PolarHBondContact O-N 2.76Å
66Q46.6Very low49.5Very low201 Ų201132.3 Ų132.394%0.93969%0.693SS**  trans-92.627.5-168.1-153.6-175.9-7.300117
67S53.1Low49.5Very low90 Ų90131.7 Ų131.763%0.62970%0.698SS**SBendtrans-130-16.9-17459.90000119.3R65R65-S67 PolarHBondContact O-N 2.76Å
68D56.2Low49.8Very low122 Ų122129 Ų12965%0.65271%0.709SS**SBendtrans-112.9-6.7-160.5-60.2-10.3000115.7
69D55.6Low49.7Very low96 Ų96130.5 Ų130.551%0.51371%0.706SS.*SBendtrans-98.1-11.6-170.4-68-35.1000115.2F71 R72D69-F71 PolarHBondContact O-N 2.93Å; D69-R72 PolarHBondContact O-N 3.29Å
70A55.5Low49.9Very low92 Ų92135.6 Ų135.676%0.7671%0.711SS**THydrogen-bonded Turntrans-64.1-23.5177.200000113.1
71F52.2Low50.3Low146 Ų146133 Ų13364%0.6470%0.702SS**THydrogen-bonded Turntrans-95.6-11.2179.9-71.9-86.2000114.2D69 M84D69-F71 PolarHBondContact O-N 2.93Å; F71-M84 HydrophobicContact CD1-CE 4.36Å; F71-M84 HydrophobicContact CE1-CE 3.65Å; F71-M84 HydrophobicContact CE1-CG 4.42Å; F71-M84 HydrophobicContact CE1-SD 3.5Å; F71-M84 WeakPolarHBondContact CE1-SD 3.3Å; F71-M84 HydrophobicContact CZ-CE 4.12Å; F71-M84 HydrophobicContact CZ-SD 4.02Å
72R54.9Low50.8Low164 Ų164134.5 Ų134.562%0.61971%0.711SS**THydrogen-bonded Turntrans-96.4-14.7-177.6-66.7-174.271.4-168.94.7113.6D69 A74D69-R72 PolarHBondContact O-N 3.29Å; R72-A74 VanDerWaalsContact C-N 3.34Å; R72-A74 PolarHBondContact O-N 2.81Å
73A53.8Low51.5Low88 Ų88130.7 Ų130.773%0.72769%0.694SS**THydrogen-bonded Turntrans-78.4-8-173.900000115.4
74A49.7Very low51.9Low89 Ų89129.6 Ų129.674%0.73669%0.687SS**THydrogen-bonded Turntrans-95.17.917900000114.4R72 M76R72-A74 VanDerWaalsContact C-N 3.34Å; R72-A74 PolarHBondContact O-N 2.81Å; A74-M76 PolarHBondContact O-N 3.25Å
75R49.6Very low52.3Low155 Ų155129.2 Ų129.259%0.58568%0.684SS**  trans-78.789.8-179.8-74.2-168175.4103.2-3111.2
76M49.3Very low52.7Low126 Ų126123.8 Ų123.862%0.62167%0.671SS**  trans-67.6139.3156.3-64.7-123.5-158.800108.9A74 G78 E79A74-M76 PolarHBondContact O-N 3.25Å; M76-G78 PolarHBondContact O-N 3.49Å; M76-E79 HydrophobicContact CB-CB 4.37Å; M76-E79 WeakPolarHBondContact CB-OE2 3.31Å; M76-E79 WeakPolarHBondContact CG-OE2 3.37Å; M76-E79 PolarHBondContact O-N 3.26Å
77P48.2Very low53.1Low141 Ų141122 Ų12292%0.91666%0.661SS**THydrogen-bonded Turntrans-69.596.8178.128.6-31.2000109
78G53Low53.3Low79 Ų79120.8 Ų120.881%0.81465%0.647SS**THydrogen-bonded Turntrans131-9.4179.500000115.2M76M76-G78 PolarHBondContact O-N 3.49Å
79E43.9Very low53.5Low121 Ų121118.4 Ų118.457%0.56564%0.638SS**  trans-104.9116.7176.7-84.2156.1112.200109.9M76M76-E79 HydrophobicContact CB-CB 4.37Å; M76-E79 WeakPolarHBondContact CB-OE2 3.31Å; M76-E79 WeakPolarHBondContact CG-OE2 3.37Å; M76-E79 PolarHBondContact O-N 3.26Å
80Y52Low53.6Low212 Ų212119.5 Ų119.583%0.83165%0.65SS**  trans-54132.3166-90.1-96.2000108M82Y80-M82 PolarHBondContact O-N 3.46Å
81P56Low53.8Low89 Ų89120.6 Ų120.658%0.57865%0.652SS**  trans-61101.7175.924.8-31.7000107.9P83P81-P83 WeakPolarHBondContact O-CD 3.39Å; P81-P83 VanDerWaalsContact O-N 3.09Å
82M52.5Low54.4Low134 Ų134116.7 Ų116.766%0.6665%0.647SS**  trans-59.6115168.8-75.1-170-68.500105.7Y80Y80-M82 PolarHBondContact O-N 3.46Å
83P57.5Low54.6Low68 Ų68113.3 Ų113.344%0.44264%0.641SS.*  trans-63.5145.6-176.931.6-36.4000107.8P81 F85 D86P81-P83 WeakPolarHBondContact O-CD 3.39Å; P81-P83 VanDerWaalsContact O-N 3.09Å; P83-F85 HydrophobicContact CB-CD2 3.47Å; P83-F85 VanDerWaalsContact CB-CD2 3.47Å; P83-F85 HydrophobicContact CB-CE2 3.84Å; P83-F85 HydrophobicContact CB-CG 4.46Å; P83-F85 HydrophobicContact CG-CD2 3.92Å; P83-F85 PolarHBondContact O-N 3.34Å; P83-D86 PolarHBondContact O-N 2.83Å
84M56.1Low55Low122 Ų122114.3 Ų114.360%0.60164%0.639SS**G310 helixtrans-50.7-12-178.1-91.8-176176.300114.7F71 D86 F87F71-M84 HydrophobicContact CD1-CE 4.36Å; F71-M84 HydrophobicContact CE1-CE 3.65Å; F71-M84 HydrophobicContact CE1-CG 4.42Å; F71-M84 HydrophobicContact CE1-SD 3.5Å; F71-M84 WeakPolarHBondContact CE1-SD 3.3Å; F71-M84 HydrophobicContact CZ-CE 4.12Å; F71-M84 HydrophobicContact CZ-SD 4.02Å; M84-D86 PolarHBondContact O-N 3.18Å; M84-F87 PolarHBondContact O-N 2.82Å
85F56.2Low55.8Low153 Ų153119.9 Ų119.967%0.67165%0.647SS**G310 helixtrans-64.7-17.4172.8-43.5-60.4000114P83 F87 I88P83-F85 HydrophobicContact CB-CD2 3.47Å; P83-F85 VanDerWaalsContact CB-CD2 3.47Å; P83-F85 HydrophobicContact CB-CE2 3.84Å; P83-F85 HydrophobicContact CB-CG 4.46Å; P83-F85 HydrophobicContact CG-CD2 3.92Å; P83-F85 PolarHBondContact O-N 3.34Å; F85-F87 VanDerWaalsContact C-N 3.33Å; F85-I88 HydrophobicContact CB-CD1 4.48Å; F85-I88 HydrophobicContact CD1-CD1 4.26Å; F85-I88 PolarHBondContact O-N 3.5Å
86D55.2Low56.5Low112 Ų112119 Ų11960%0.59965%0.653SS**G310 helixtrans-79.3-10.8174.6-90.2-30.4000114.2P83 M84 I88P83-D86 PolarHBondContact O-N 2.83Å; M84-D86 PolarHBondContact O-N 3.18Å; D86-I88 VanDerWaalsContact C-N 3.35Å
87F54.8Low57.2Low164 Ų164117.9 Ų117.972%0.71966%0.655SS**G310 helixtrans-90.5-2.6173-66.7-76.4000113.1M84 F85 P89M84-F87 PolarHBondContact O-N 2.82Å; F85-F87 VanDerWaalsContact C-N 3.33Å; F87-P89 WeakPolarHBondContact O-CD 3.21Å
88I57.4Low58Low64 Ų64114.7 Ų114.733%0.32863%0.63SS.*SBendtrans-88.2105.7177.3-53.4171.3000105.6F85 D86 A92 L93F85-I88 HydrophobicContact CB-CD1 4.48Å; F85-I88 HydrophobicContact CD1-CD1 4.26Å; F85-I88 PolarHBondContact O-N 3.5Å; D86-I88 VanDerWaalsContact C-N 3.35Å; I88-A92 HydrophobicContact CG2-CB 3.72Å; I88-L93 HydrophobicContact CG2-CG 4.16Å
89P60Low58.2Low72 Ų72119.7 Ų119.747%0.46863%0.626SS.*  trans-53.8145.8171.923.4-32.4000108.2F87 S91 A92F87-P89 WeakPolarHBondContact O-CD 3.21Å; P89-S91 PolarHBondContact O-N 2.81Å; P89-A92 HydrophobicContact CG-CB 3.93Å; P89-A92 PolarHBondContact O-N 2.81Å
90P57.8Low59.2Low118 Ų118119.9 Ų119.977%0.76663%0.627SS**THydrogen-bonded Turntrans-53.8-17.3-17917.7-29.6000113.3
91S60.7Low59.5Low115 Ų115115.9 Ų115.980%0.80462%0.616SS**THydrogen-bonded Turntrans-77.2-17.2174.7-39.80000115.8P89P89-S91 PolarHBondContact O-N 2.81Å
92A63.1Low59.4Low64 Ų64114.8 Ų114.853%0.52961%0.61SS.*SBendtrans-104.7-0.7-178.800000113.1I88 P89I88-A92 HydrophobicContact CG2-CB 3.72Å; P89-A92 HydrophobicContact CG-CB 3.93Å; P89-A92 PolarHBondContact O-N 2.81Å
93L59.1Low59.8Low94 Ų94112.5 Ų112.549%0.49260%0.603SS.*SBendtrans-70.6133169-91.5136.7000109.6I88 K95I88-L93 HydrophobicContact CG2-CG 4.16Å; L93-K95 PolarHBondContact O-N 2.89Å
94P62.4Low59.6Low108 Ų108115.7 Ų115.770%0.70162%0.616SS**  trans-54.3131170.421.8-30.4000108.6L96P94-L96 PolarHBondContact O-N 3.06Å
95K66.6Low59.6Low207 Ų207114.5 Ų114.590%0.962%0.616SS**  trans-54.9108.8-177.3-153.2169.4-173.5179.30107.9L93L93-K95 PolarHBondContact O-N 2.89Å
96L65.1Low59.4Low136 Ų136109.4 Ų109.471%0.71261%0.607SS**PPolyproline II helixtrans-57.7134.8176.6-88.379.7000107.6P94 N98P94-L96 PolarHBondContact O-N 3.06Å; L96-N98 PolarHBondContact O-N 3.42Å
97P64.2Low59.4Low102 Ų102109.9 Ų109.966%0.66262%0.616SS**PPolyproline II helixtrans-58.4135.7175.227.4-34000108.2Y99P97-Y99 PolarHBondContact O-N 2.88Å
98N63.6Low59.3Low74 Ų74106.9 Ų106.940%0.39661%0.613SS.*PPolyproline II helixtrans-64.8125.7-172.2-167.1-1.1000109.5L96 E100 E101 C102L96-N98 PolarHBondContact O-N 3.42Å; N98-E100 HydrophobicContact CB-CG 4.4Å; N98-E100 VanDerWaalsContact ND2-CD 3.33Å; N98-E100 WeakPolarHBondContact ND2-CG 3.28Å; N98-E100 PolarHBondContact ND2-OE1 3.34Å; N98-E100 PolarHBondContact O-N 3.49Å; N98-E100 WeakPolarHBondContact OD1-CG 3.32Å; N98-E100 PolarHBondContact OD1-OE1 2.89Å; N98-E101 HydrophobicContact CB-CB 3.92Å; N98-E101 CarbonylContact O-C 3.56Å; N98-E101 WeakPolarHBondContact O-CA 3.21Å; N98-E101 WeakPolarHBondContact O-CB 3.35Å; N98-E101 PolarHBondContact O-N 2.91Å; N98-C102 PolarHBondContact O-N 3.34Å; N98-C102 PolarHBondContact O-SG 2.89Å
99Y58.6Low59Low184 Ų184108.3 Ų108.372%0.72264%0.635SS**Hα-helixtrans-62.9-33.9-175.4-172.7-96.3000111.3P97 E101 C102 V103P97-Y99 PolarHBondContact O-N 2.88Å; Y99-E101 VanDerWaalsContact C-N 3.27Å; Y99-E101 PolarHBondContact O-N 3.47Å; Y99-C102 PolarHBondContact O-N 3.29Å; Y99-V103 HydrophobicContact CD1-CG2 3.77Å; Y99-V103 HydrophobicContact CD2-CG2 4.4Å; Y99-V103 HydrophobicContact CE1-CG2 3.39Å; Y99-V103 HydrophobicContact CE2-CG2 4.07Å; Y99-V103 HydrophobicContact CG-CG2 4.27Å; Y99-V103 WeakPolarHBondContact O-CB 3.34Å; Y99-V103 VanDerWaalsContact O-CG2 3.28Å; Y99-V103 WeakPolarHBondContact O-CG2 3.34Å; Y99-V103 PolarHBondContact O-N 3.45Å
100E63.8Low58.4Low125 Ų125111.2 Ų111.258%0.58465%0.646SS**Hα-helixtrans-66-28.5172.246.3176167.200112.6N98 N104N98-E100 HydrophobicContact CB-CG 4.4Å; N98-E100 VanDerWaalsContact ND2-CD 3.33Å; N98-E100 WeakPolarHBondContact ND2-CG 3.28Å; N98-E100 PolarHBondContact ND2-OE1 3.34Å; N98-E100 PolarHBondContact O-N 3.49Å; N98-E100 WeakPolarHBondContact OD1-CG 3.32Å; N98-E100 PolarHBondContact OD1-OE1 2.89Å; E100-N104 VanDerWaalsContact O-CB 3.25Å; E100-N104 WeakPolarHBondContact O-CB 3.33Å; E100-N104 VanDerWaalsContact O-CG 3.24Å; E100-N104 PolarHBondContact O-N 3.48Å; E100-N104 PolarHBondContact O-ND2 2.95Å
101E59.8Low58.2Low128 Ų128113.9 Ų113.960%0.59865%0.654SS**Hα-helixtrans-81.3-32.9175.8-153.3170-158.600110.6N98 Y99 T105N98-E101 HydrophobicContact CB-CB 3.92Å; N98-E101 CarbonylContact O-C 3.56Å; N98-E101 WeakPolarHBondContact O-CA 3.21Å; N98-E101 WeakPolarHBondContact O-CB 3.35Å; N98-E101 PolarHBondContact O-N 2.91Å; Y99-E101 VanDerWaalsContact C-N 3.27Å; Y99-E101 PolarHBondContact O-N 3.47Å; E101-T105 WeakPolarHBondContact O-CB 3.3Å; E101-T105 PolarHBondContact O-N 3.38Å; E101-T105 PolarHBondContact O-OG1 3.15Å
102C53.6Low57.8Low66 Ų66116.8 Ų116.845%0.44666%0.655SS.*Hα-helixtrans-76.4-30.5177.2-600000113.7N98 Y99N98-C102 PolarHBondContact O-N 3.34Å; N98-C102 PolarHBondContact O-SG 2.89Å; Y99-C102 PolarHBondContact O-N 3.29Å
103V59.6Low57.2Low86 Ų86117.9 Ų117.952%0.52166%0.664SS.*Hα-helixtrans-82.1-28177.2173.60000111.6Y99Y99-V103 HydrophobicContact CD1-CG2 3.77Å; Y99-V103 HydrophobicContact CD2-CG2 4.4Å; Y99-V103 HydrophobicContact CE1-CG2 3.39Å; Y99-V103 HydrophobicContact CE2-CG2 4.07Å; Y99-V103 HydrophobicContact CG-CG2 4.27Å; Y99-V103 WeakPolarHBondContact O-CB 3.34Å; Y99-V103 VanDerWaalsContact O-CG2 3.28Å; Y99-V103 WeakPolarHBondContact O-CG2 3.34Å; Y99-V103 PolarHBondContact O-N 3.45Å
104N54.7Low57.2Low135 Ų135118.9 Ų118.972%0.72268%0.676SS**Hα-helixtrans-91.1-16.3177-67.7-41000113.6E100E100-N104 VanDerWaalsContact O-CB 3.25Å; E100-N104 WeakPolarHBondContact O-CB 3.33Å; E100-N104 VanDerWaalsContact O-CG 3.24Å; E100-N104 PolarHBondContact O-N 3.48Å; E100-N104 PolarHBondContact O-ND2 2.95Å
105T55.2Low57.3Low97 Ų97119.2 Ų119.260%0.59568%0.678SS**SBendtrans-102.473.2171.1-36.40000108.4E101E101-T105 WeakPolarHBondContact O-CB 3.3Å; E101-T105 PolarHBondContact O-N 3.38Å; E101-T105 PolarHBondContact O-OG1 3.15Å
106G51.7Low57Low47 Ų47114.7 Ų114.749%0.48567%0.67SS.*PPolyproline II helixtrans-51.2151.8164.800000110
107P56.5Low56.6Low122 Ų122112.4 Ų112.479%0.79266%0.664SS**PPolyproline II helixtrans-50.2131.3-175.620.5-30.8000109.2A109P107-A109 PolarHBondContact O-N 3.31Å; P107-A109 VanDerWaalsContact O-N 3.08Å
108P52.8Low56.4Low100 Ų100113.5 Ų113.565%0.64967%0.668SS**PPolyproline II helixtrans-54.2125.417722.7-31.5000107N110P108-N110 PolarHBondContact O-N 3.01Å
109A49.8Very low56Low95 Ų95113.1 Ų113.179%0.78567%0.67SS**  trans-69.945.4178.700000111.6P107P107-A109 PolarHBondContact O-N 3.31Å; P107-A109 VanDerWaalsContact O-N 3.08Å
110N47.9Very low55.8Low133 Ų133109.9 Ų109.971%0.71167%0.665SS**  trans-97102.2175-72.5-4.6000107.1P108 E112P108-N110 PolarHBondContact O-N 3.01Å; N110-E112 PolarHBondContact O-N 3.49Å
111D52.9Low55.3Low173 Ų173107.6 Ų107.693%0.92566%0.662SS**  trans-58.429.2173.3-75.1-50.2000114.7
112E52.3Low55Low176 Ų176107 Ų10782%0.82266%0.658SS**  trans-105.492179.4-156.4139.6114.100108.8N110N110-E112 PolarHBondContact O-N 3.49Å
113A52.3Low55.1Low88 Ų88111.5 Ų111.573%0.72767%0.667SS**PPolyproline II helixtrans-50.3125.6178.400000110.2
114P58.2Low54.7Low115 Ų115110.4 Ų110.475%0.74766%0.663SS**PPolyproline II helixtrans-60.2143.2177.823-31.1000110
115P64.5Low54.7Low114 Ų114106.7 Ų106.774%0.7465%0.651SS**PPolyproline II helixtrans-57.5145.8179.623.4-32.7000110.6
116P59.7Low55Low112 Ų112104.2 Ų104.273%0.72763%0.634SS**PPolyproline II helixtrans-57.8137.7-177.822.9-32.5000110.5T118P116-T118 PolarHBondContact O-N 2.93Å; P116-T118 VanDerWaalsContact O-N 3.14Å
117P57.3Low55.6Low89 Ų89107.7 Ų107.758%0.57865%0.651SS**PPolyproline II helixtrans-62.2117.4-176.421.6-30.9000110.8S139P117-S139 WeakPolarHBondContact CB-OG 3.5Å; P117-S139 WeakPolarHBondContact CG-OG 3.29Å
118T59.2Low56.2Low124 Ų124108.3 Ų108.376%0.76165%0.648SS**PPolyproline II helixtrans-63.6125.2178.6-31.90000109.6P116 L120P116-T118 PolarHBondContact O-N 2.93Å; P116-T118 VanDerWaalsContact O-N 3.14Å; T118-L120 PolarHBondContact O-N 2.85Å; T118-L120 VanDerWaalsContact O-N 3.11Å
119P55.3Low56.6Low66 Ų66106.4 Ų106.443%0.42965%0.646SS.*PPolyproline II helixtrans-63.7116.817822.8-30.5000110S121 T136P119-S121 PolarHBondContact O-N 3.31Å; P119-T136 HydrophobicContact CB-CG2 3.67Å
120L55.5Low57.1Low117 Ų117108 Ų10861%0.61364%0.638SS**EExtended strand (participates in β ladder)trans-78.5114.5172.5-67.6172.4000108.1T118 F122T118-L120 PolarHBondContact O-N 2.85Å; T118-L120 VanDerWaalsContact O-N 3.11Å; L120-F122 HydrophobicContact CB-CE2 3.86Å; L120-F122 HydrophobicContact CB-CZ 4.17Å; L120-F122 HydrophobicContact CD1-CZ 4.48Å
121S52.7Low57.7Low77 Ų77105.2 Ų105.254%0.53863%0.627SS.*EExtended strand (participates in β ladder)trans-88.9118.6174.4-54.90000108.7P119P119-S121 PolarHBondContact O-N 3.31Å
122F53.3Low57.9Low115 Ų11599.1 Ų99.150%0.50460%0.601SS.*EExtended strand (participates in β ladder)trans-98.2126.2172.7-64.8-83.9000109.1L120 F135 I137L120-F122 HydrophobicContact CB-CE2 3.86Å; L120-F122 HydrophobicContact CB-CZ 4.17Å; L120-F122 HydrophobicContact CD1-CZ 4.48Å; F122-F135 PolarHBondContact N-O 3.32Å; F122-F135 VanDerWaalsContact N-O 3.13Å; F122-F135 PolarHBondContact O-N 3.43Å; F122-I137 HydrophobicContact CD2-CD1 4.07Å; F122-I137 HydrophobicContact CD2-CG1 4.4Å; F122-I137 HydrophobicContact CE2-CD1 3.83Å; F122-I137 HydrophobicContact CE2-CG1 4.41Å
123Y56.8Low58Low160 Ų16095.6 Ų95.663%0.62759%0.587SS**EExtended strand (participates in β ladder)trans-104.5121.8176.8-141.9-99.1000108.8P131Y123-P131 HydrophobicContact CD1-CB 4.42Å; Y123-P131 HydrophobicContact CE1-CB 3.47Å; Y123-P131 VanDerWaalsContact CE1-CB 3.47Å; Y123-P131 HydrophobicContact CE1-CG 4.11Å; Y123-P131 HydrophobicContact CE2-CB 4.42Å; Y123-P131 VanDerWaalsContact CZ-CB 3.49Å; Y123-P131 VanDerWaalsContact OH-CB 3.28Å; Y123-P131 WeakPolarHBondContact OH-CB 3.34Å; Y123-P131 VanDerWaalsContact OH-CG 3.26Å; Y123-P131 WeakPolarHBondContact OH-CG 3.29Å
124S50.2Low58.2Low64 Ų6496.7 Ų96.745%0.44858%0.577SS.*EExtended strand (participates in β ladder)trans-106.6121.8168.3-175.20000108.4A132 L133S124-A132 PolarHBondContact O-N 2.84Å; S124-L133 PolarHBondContact N-O 2.8Å; S124-L133 PolarHBondContact O-N 3.44Å
125A55.5Low57.9Low57 Ų5797.4 Ų97.447%0.47157%0.568SS.*EExtended strand (participates in β ladder)trans-99.9139.117200000109.7Q130A125-Q130 CarbonylContact C-O 3.53Å; A125-Q130 VanDerWaalsContact CA-O 3.31Å; A125-Q130 WeakPolarHBondContact CA-O 3.5Å
126N59.9Low57.1Low44 Ų4494.6 Ų94.624%0.23555%0.549CS..  trans-70.5174.2170.265.520000111N128 G129 Q130 A132N126-N128 PolarHBondContact O-N 2.9Å; N126-N128 WeakPolarHBondContact OD1-CA 3.48Å; N126-N128 WeakPolarHBondContact OD1-CB 3.24Å; N126-N128 PolarHBondContact OD1-N 3.28Å; N126-G129 PolarHBondContact O-N 3.44Å; N126-G129 PolarHBondContact OD1-N 2.92Å; N126-Q130 VanDerWaalsContact CG-O 3.31Å; N126-Q130 PolarHBondContact N-O 3.21Å; N126-Q130 PolarHBondContact OD1-N 2.96Å; N126-Q130 PolarHBondContact OD1-O 2.79Å; N126-A132 HydrophobicContact CB-CB 4.22Å
127S66Low56.7Low121 Ų12194.2 Ų94.285%0.84654%0.54SS*.THydrogen-bonded Turntrans-57-17176.658.90000114.3
128N67.4Low56.4Low135 Ų13596.1 Ų96.172%0.72254%0.541SS*.THydrogen-bonded Turntrans-97.69.4-180-59.7-5.1000112.2N126 Q130N126-N128 PolarHBondContact O-N 2.9Å; N126-N128 WeakPolarHBondContact OD1-CA 3.48Å; N126-N128 WeakPolarHBondContact OD1-CB 3.24Å; N126-N128 PolarHBondContact OD1-N 3.28Å; N128-Q130 PolarHBondContact O-N 2.73Å
129G62Low56.1Low60 Ų6094.2 Ų94.262%0.61953%0.533SS*.SBendtrans72.97.218000000114.6N126N126-G129 PolarHBondContact O-N 3.44Å; N126-G129 PolarHBondContact OD1-N 2.92Å
130Q60.1Low55.6Low128 Ų12898 Ų9860%0.59854%0.544SS*.SBendtrans-88.8140.6175.1-70.3-164.8-5000111.1A125 N126 N128 A132A125-Q130 CarbonylContact C-O 3.53Å; A125-Q130 VanDerWaalsContact CA-O 3.31Å; A125-Q130 WeakPolarHBondContact CA-O 3.5Å; N126-Q130 VanDerWaalsContact CG-O 3.31Å; N126-Q130 PolarHBondContact N-O 3.21Å; N126-Q130 PolarHBondContact OD1-N 2.96Å; N126-Q130 PolarHBondContact OD1-O 2.79Å; N128-Q130 PolarHBondContact O-N 2.73Å; Q130-A132 PolarHBondContact O-N 3.37Å; Q130-A132 VanDerWaalsContact O-N 3.11Å
131P60.5Low55Low74 Ų7498.1 Ų98.148%0.48155%0.552SS.*EExtended strand (participates in β ladder)trans-51.8117.7169.114.6-26.4000111.5Y123Y123-P131 HydrophobicContact CD1-CB 4.42Å; Y123-P131 HydrophobicContact CE1-CB 3.47Å; Y123-P131 VanDerWaalsContact CE1-CB 3.47Å; Y123-P131 HydrophobicContact CE1-CG 4.11Å; Y123-P131 HydrophobicContact CE2-CB 4.42Å; Y123-P131 VanDerWaalsContact CZ-CB 3.49Å; Y123-P131 VanDerWaalsContact OH-CB 3.28Å; Y123-P131 WeakPolarHBondContact OH-CB 3.34Å; Y123-P131 VanDerWaalsContact OH-CG 3.26Å; Y123-P131 WeakPolarHBondContact OH-CG 3.29Å
132A58.2Low54.4Low46 Ų46100.4 Ų100.438%0.3856%0.558SS.*EExtended strand (participates in β ladder)trans-89.4-41.8174.800000111S124 N126 Q130S124-A132 PolarHBondContact O-N 2.84Å; N126-A132 HydrophobicContact CB-CB 4.22Å; Q130-A132 PolarHBondContact O-N 3.37Å; Q130-A132 VanDerWaalsContact O-N 3.11Å
133L54.3Low53.8Low102 Ų102103 Ų10353%0.53458%0.577SS.*EExtended strand (participates in β ladder)trans-151.2135.3-177-71.1167.8000110.8S124 F135S124-L133 PolarHBondContact N-O 2.8Å; S124-L133 PolarHBondContact O-N 3.44Å; L133-F135 HydrophobicContact CB-CD2 4.14Å; L133-F135 HydrophobicContact CB-CE2 3.79Å; L133-F135 HydrophobicContact CD1-CE2 3.98Å; L133-F135 HydrophobicContact CD2-CE2 4.19Å; L133-F135 HydrophobicContact CD2-CZ 4.48Å; L133-F135 HydrophobicContact CG-CE2 4.18Å
134H56.5Low53Low111 Ų111100.6 Ų100.651%0.51458%0.578SS.*EExtended strand (participates in β ladder)trans-113.5116.8172.2175.5-102.8000108.2T136H134-T136 PolarHBondContact CE1-OG1 3.28Å
135F51.6Low52.5Low129 Ų129101.4 Ų101.457%0.56659%0.589SS**EExtended strand (participates in β ladder)trans-119.8127.4173.3-73.9-80.3000110F122 L133F122-F135 PolarHBondContact N-O 3.32Å; F122-F135 VanDerWaalsContact N-O 3.13Å; F122-F135 PolarHBondContact O-N 3.43Å; L133-F135 HydrophobicContact CB-CD2 4.14Å; L133-F135 HydrophobicContact CB-CE2 3.79Å; L133-F135 HydrophobicContact CD1-CE2 3.98Å; L133-F135 HydrophobicContact CD2-CE2 4.19Å; L133-F135 HydrophobicContact CD2-CZ 4.48Å; L133-F135 HydrophobicContact CG-CE2 4.18Å
136T47.2Very low51.6Low55 Ų55106.1 Ų106.134%0.33760%0.601SS.*EExtended strand (participates in β ladder)trans-105109.3171.9-50.70000107P119 H134 H138P119-T136 HydrophobicContact CB-CG2 3.67Å; H134-T136 PolarHBondContact CE1-OG1 3.28Å; T136-H138 PolarHBondContact O-N 3.5Å
137I51.6Low50.9Low104 Ų104110.6 Ų110.653%0.53362%0.624SS.*EExtended strand (participates in β ladder)trans-86.6105.7176-57.1-179.5000107F122F122-I137 HydrophobicContact CD2-CD1 4.07Å; F122-I137 HydrophobicContact CD2-CG1 4.4Å; F122-I137 HydrophobicContact CE2-CD1 3.83Å; F122-I137 HydrophobicContact CE2-CG1 4.41Å
138H51.7Low49.5Very low130 Ų130111.7 Ų111.760%0.60262%0.62SS**  trans-79.3125164.3-68.4-74.5000107.7T136 Q140T136-H138 PolarHBondContact O-N 3.5Å; H138-Q140 PolarHBondContact O-N 2.87Å
139S52Low48.2Very low84 Ų84109.5 Ų109.559%0.58762%0.615SS**SBendtrans-72.219179.760.70000113.6P117P117-S139 WeakPolarHBondContact CB-OG 3.5Å; P117-S139 WeakPolarHBondContact CG-OG 3.29Å
140Q45.7Very low47Very low145 Ų145112.2 Ų112.268%0.67863%0.625SS**SBendtrans-116.9121.7175.9-164.4167.11000106.8H138 D142H138-Q140 PolarHBondContact O-N 2.87Å; Q140-D142 PolarHBondContact O-N 3.37Å
141P41.1Very low46.1Very low120 Ų120115.1 Ų115.178%0.77964%0.638SS**  trans-76.272.7178.932.7-31.9000107.8L143P141-L143 PolarHBondContact O-N 2.93Å
142D40.2Very low44.9Very low124 Ų124116.2 Ų116.266%0.66365%0.654SS**  trans-85.4107.9173-140.8-5.7000107.5Q140 V144Q140-D142 PolarHBondContact O-N 3.37Å; D142-V144 PolarHBondContact O-N 3.43Å
143L42.5Very low43.8Very low170 Ų170121.9 Ų121.989%0.8968%0.677SS**  trans-67.262.5176-99.979.2000110.1P141P141-L143 PolarHBondContact O-N 2.93Å
144V39.8Very low42.9Very low109 Ų109121.7 Ų121.766%0.66169%0.69SS**  trans-127.765.1174.7-170.60000108.4D142 H146D142-V144 PolarHBondContact O-N 3.43Å; V144-H146 PolarHBondContact O-N 2.84Å; V144-H146 VanDerWaalsContact O-N 3.09Å
145A39.8Very low42.2Very low82 Ų82121.3 Ų121.368%0.67870%0.7SS**  trans-70.5101159.200000107.1I147A145-I147 HydrophobicContact CB-CD1 4.37Å; A145-I147 HydrophobicContact CB-CG1 3.99Å; A145-I147 WeakPolarHBondContact O-CG1 3.5Å; A145-I147 PolarHBondContact O-N 3.35Å
146H34.9Very low42.1Very low156 Ų156121.3 Ų121.372%0.72271%0.713SS**  trans-67.878.1171.3-170.130.7000109V144 N148V144-H146 PolarHBondContact O-N 2.84Å; V144-H146 VanDerWaalsContact O-N 3.09Å; H146-N148 PolarHBondContact O-N 2.93Å
147I44.8Very low41.7Very low138 Ų138126 Ų12671%0.70874%0.735SS**  trans-91.996.9172-28.2178.2000106.6A145 S149A145-I147 HydrophobicContact CB-CD1 4.37Å; A145-I147 HydrophobicContact CB-CG1 3.99Å; A145-I147 WeakPolarHBondContact O-CG1 3.5Å; A145-I147 PolarHBondContact O-N 3.35Å; I147-S149 PolarHBondContact O-N 3.09Å
148N37.5Very low41.1Very low143 Ų143126.8 Ų126.877%0.76575%0.749SS**  trans-6281.3160.5-83.5-31.7000108.4H146H146-N148 PolarHBondContact O-N 2.93Å
149S39.5Very low41.1Very low90 Ų90126.4 Ų126.463%0.62976%0.757SS**  trans-153.197.8164.2-170.90000108I147 Q151I147-S149 PolarHBondContact O-N 3.09Å; S149-Q151 PolarHBondContact O-N 2.9Å
150S37.3Very low41.4Very low117 Ų117127.6 Ų127.682%0.81876%0.762SS**  trans-53.496.1169.343.90000111.2
151Q40.6Very low42.3Very low189 Ų189126 Ų12688%0.88377%0.765SS**  trans-162.1129.9150.1-109.8169.942.200109.6S149S149-Q151 PolarHBondContact O-N 2.9Å
152A35.3Very low43.2Very low97 Ų97124.7 Ų124.780%0.80276%0.756SS**  trans-72.7140-16200000114.4
153L35.1Very low43.8Very low164 Ų164125 Ų12586%0.85976%0.762SS**  trans-3.4128.3156-7574.8000118.7
154A36.9Very low44Very low99 Ų99126.1 Ų126.182%0.81876%0.756SS**  -144.2118.5129.500000109.1
155S41.6Very low44.2Very low102 Ų102125.6 Ų125.671%0.71376%0.757SS**  trans-59135.3-177.8-47.20000112.3L157S155-L157 PolarHBondContact O-N 3.33Å; S155-L157 VanDerWaalsContact O-N 3.14Å
156P48.3Very low44.2Very low129 Ų129127 Ų12784%0.83876%0.762SS**  trans-71.9110.8166.628.1-29.2000108.8S158P156-S158 PolarHBondContact O-N 3.48Å
157L38.8Very low44.4Very low154 Ų154125 Ų12581%0.80676%0.761SS**  trans-62.1121.6173.4-171.869.2000109.4S155 T159S155-L157 PolarHBondContact O-N 3.33Å; S155-L157 VanDerWaalsContact O-N 3.14Å; L157-T159 PolarHBondContact O-N 3.33Å
158S40.7Very low44.2Very low120 Ų120123.7 Ų123.784%0.83976%0.763SS**  trans-58.4105.5174.2-64.20000110.9P156P156-S158 PolarHBondContact O-N 3.48Å
159T50.4Low44.3Very low123 Ų123124.5 Ų124.576%0.75577%0.766SS**PPolyproline II helixtrans-87.9130.6166.725.90000109.9L157L157-T159 PolarHBondContact O-N 3.33Å
160P57.8Low44Very low108 Ų108128.9 Ų128.970%0.70178%0.776SS**PPolyproline II helixtrans-66.8156.6173.228.7-33000110.7
161P64.8Low44.1Very low113 Ų113133.9 Ų133.973%0.73478%0.777SS**PPolyproline II helixtrans-61.9145.4179.926.2-33.7000111T163P161-T163 PolarHBondContact O-N 2.92Å
162P59.6Low44Very low92 Ų92129.7 Ų129.760%0.59777%0.766SS**PPolyproline II helixtrans-65.9126.7-179.225.4-32000111.3Y164P162-Y164 HydrophobicContact CB-CE2 4.49Å; P162-Y164 HydrophobicContact CG-CE2 3.95Å; P162-Y164 WeakPolarHBondContact O-CD2 3.49Å; P162-Y164 PolarHBondContact O-N 3.44Å
163T54.2Low44Very low129 Ų129130.7 Ų130.779%0.79177%0.768SS**  trans-68.9110.8170-53.50000109.4P161 S165P161-T163 PolarHBondContact O-N 2.92Å; T163-S165 PolarHBondContact O-N 3.14Å
164Y45.6Very low44.4Very low195 Ų195128.9 Ų128.977%0.76576%0.764SS**  trans-83.8104.5169.9-66.7-84.8000109.5P162 S166P162-Y164 HydrophobicContact CB-CE2 4.49Å; P162-Y164 HydrophobicContact CG-CE2 3.95Å; P162-Y164 WeakPolarHBondContact O-CD2 3.49Å; P162-Y164 PolarHBondContact O-N 3.44Å; Y164-S166 PolarHBondContact O-N 3.08Å
165S44.4Very low44.3Very low98 Ų98130.7 Ų130.769%0.68577%0.765SS**  trans-76.9109.4164.5-59.30000108.7T163 T167T163-S165 PolarHBondContact O-N 3.14Å; S165-T167 VanDerWaalsContact C-N 3.26Å; S165-T167 PolarHBondContact O-N 2.97Å
166S39.6Very low44.2Very low110 Ų110131.3 Ų131.377%0.76977%0.769SS**  trans-7181.6171.6174.90000109.7Y164 C168Y164-S166 PolarHBondContact O-N 3.08Å; S166-C168 PolarHBondContact O-N 3.41Å
167T39.8Very low43.7Very low115 Ų115135.7 Ų135.771%0.70677%0.769SS**  trans-81.799.9162.8-45.10000107.4S165 L169S165-T167 VanDerWaalsContact C-N 3.26Å; S165-T167 PolarHBondContact O-N 2.97Å; T167-L169 VanDerWaalsContact C-N 3.29Å; T167-L169 PolarHBondContact O-N 2.93Å
168C40.2Very low43.7Very low110 Ų110135.1 Ų135.174%0.74377%0.772SS**  trans-57.993.5170.6-46.90000108S166 H170S166-C168 PolarHBondContact O-N 3.41Å; C168-H170 VanDerWaalsContact C-N 3.31Å; C168-H170 PolarHBondContact O-N 3.44Å
169L39.9Very low43.6Very low160 Ų160135 Ų13584%0.83877%0.766SS**  trans-69.397.5173.2-86.4170.2000107.9T167 R171T167-L169 VanDerWaalsContact C-N 3.29Å; T167-L169 PolarHBondContact O-N 2.93Å; L169-R171 PolarHBondContact O-N 2.93Å
170H33.6Very low43.2Very low182 Ų182138.4 Ų138.484%0.84377%0.773SS**  trans-28.6107.3156.1-118.6-22.5000110.3C168 P172C168-H170 VanDerWaalsContact C-N 3.31Å; C168-H170 PolarHBondContact O-N 3.44Å; H170-P172 VanDerWaalsContact O-CD 3.31Å; H170-P172 WeakPolarHBondContact O-CD 2.94Å
171R38.5Very low42.2Very low222 Ų222136.6 Ų136.684%0.83877%0.774SS**  trans-82115.2163.4-172.9174.5-177126.1-1107.4L169 S173L169-R171 PolarHBondContact O-N 2.93Å; R171-S173 PolarHBondContact O-N 3.19Å
172P37.8Very low41Very low101 Ų101137.7 Ų137.766%0.65678%0.779SS**  trans-75.4117.7171.1-4.923.5000107.8H170 T174H170-P172 VanDerWaalsContact O-CD 3.31Å; H170-P172 WeakPolarHBondContact O-CD 2.94Å; P172-T174 HydrophobicContact CB-CG2 4.42Å; P172-T174 PolarHBondContact O-N 3.45Å; P172-T174 VanDerWaalsContact O-N 3.15Å
173S36.2Very low39.9Very low118 Ų118137.7 Ų137.783%0.82578%0.781SS**  trans-75.595.5166.7-740000108.6R171R171-S173 PolarHBondContact O-N 3.19Å
174T44.1Very low39.2Very low127 Ų127142.6 Ų142.678%0.77979%0.785SS**  trans-95.7110173.151.40000110.9P172P172-T174 HydrophobicContact CB-CG2 4.42Å; P172-T174 PolarHBondContact O-N 3.45Å; P172-T174 VanDerWaalsContact O-N 3.15Å
175T34.1Very low38.8Very low136 Ų136139.4 Ų139.483%0.83479%0.786SS**  trans-50.6133.7163.2-61.10000113.3
176S39.8Very low38.5Very low115 Ų115141 Ų14180%0.80479%0.791SS**  trans-150.8101.6150.361.90000112.3
177R37.4Very low38.5Very low222 Ų222144 Ų14484%0.83879%0.793SS**  trans15.4126.5147.4-75.5175177.2149.7-0.3120.1
178T38.3Very low38.2Very low141 Ų141144.9 Ų144.987%0.86579%0.794SS**  -16287.8114.6-28.40000107.4
179V38.7Very low38.2Very low119 Ų119144.7 Ų144.772%0.72179%0.794SS**  3497.7101.4-170.70000115.5
180E42.1Very low37.9Very low193 Ų193142.1 Ų142.190%0.90279%0.789SS**  trans-176.196.2139.6-99.8172.1-168.600104.6
181G36.8Very low38.1Very low70 Ų70142 Ų14272%0.72279%0.789SS**  109.9133.981.500000108
182T40.4Very low38.2Very low136 Ų136137.9 Ų137.983%0.83479%0.788SS**  trans103.473.2173.7-36.40000117
183S36.7Very low38.4Very low93 Ų93139 Ų13965%0.6579%0.793SS**  49.3125.3116.1-56.40000122.3
184R40Very low38.3Very low231 Ų231138.9 Ų138.987%0.87279%0.792SS**  trans76.5126.2140.1-71.4174.3178.1150.6-1.3114.8
185T37Very low38.2Very low129 Ų129143 Ų14379%0.79179%0.793SS**  cis-161.8147.426.2-65.80000109.1
186V36.6Very low38.4Very low130 Ų130145.6 Ų145.679%0.78880%0.796SS**  trans-76135.1171.7168.30000110.6
187E39.7Very low38.6Very low173 Ų173147.2 Ų147.281%0.80880%0.795SS**  trans-173.6109.5143.2-105.3167.2166.200108
188N34.4Very low38.6Very low135 Ų135141.3 Ų141.372%0.72279%0.788SS**  86112.685.9-167.821.9000111.8
189S40.1Very low39.3Very low106 Ų106141.6 Ų141.674%0.74179%0.789SS**  163.2114.3129.7-68.50000111.9
190S34Very low39.4Very low105 Ų105143.2 Ų143.273%0.73479%0.794SS**  trans-71.2135.2169.446.10000113.2
191H37.3Very low39.5Very low181 Ų181149.2 Ų149.284%0.83881%0.808SS**  trans-163.8116.9154.2-93.7-71.4000110.4
192T40.1Very low39.6Very low134 Ų134153.2 Ų153.282%0.82281%0.813SS**  trans175.696133.734.50000109.2
193T41.8Very low39.6Very low124 Ų124154.1 Ų154.176%0.76181%0.811SS**  82.886.897.2-50.70000112.8
194S35.7Very low39.7Very low116 Ų116157.4 Ų157.481%0.81182%0.82SS**  trans-104.1117.2153.6-178.60000107
195R40.9Very low39.7Very low213 Ų213153.1 Ų153.180%0.80482%0.817SS**  trans-127.588.2175.8-140.2-178.5-179.5179.5-0.5107.5
196Q38.6Very low39.9Very low191 Ų191154.6 Ų154.689%0.89382%0.819SS**  trans-66.3127.8157.6-87.4176.5-4900107.8
197L44.7Very low40.1Very low149 Ų149156.3 Ų156.378%0.7882%0.821SS**  trans-113.4115.4170.1-110151.7000107.9
198S36.7Very low40.1Very low99 Ų99155.1 Ų155.169%0.69282%0.822SS**  trans-57.7143.5168.151.80000113
199V53.7Low40.6Very low147 Ų147156.6 Ų156.689%0.89183%0.83SS**  trans-143.8119.6145.9-179.40000109.2
200D41Very low40.6Very low153 Ų153160.8 Ų160.882%0.81884%0.837SS**  trans-52.1133.2169.7-88.5-73.2000114.3
201R42.8Very low41.2Very low318 Ų318165.9 Ų165.9100%1.285%0.846SS**  -166.60120-126.6-177.8-176.7133.50.2112

Retrieved 201 of 201 residues in 55.9 ms (Link to these results)