A0A077ZD50_TRITR Loading...

Ets domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZD50, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 227 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.3Very low46.2Very low210 Ų210107.3 Ų107.3100%1.03460%0.598SS**  0-36.50-62.2-52.3176.900113.8L3 V4M1-L3 PolarHBondContact O-N 3.48Å; M1-V4 VanDerWaalsContact O-CG2 3.25Å; M1-V4 WeakPolarHBondContact O-CG2 3.25Å
2A41.5Very low47.1Very low83 Ų83101 Ų10169%0.68656%0.559SS**Hα-helixtrans-67.8-31177.300000115.1H5 F6A2-H5 WeakPolarHBondContact O-CB 3.41Å; A2-H5 PolarHBondContact O-N 3.12Å; A2-F6 PolarHBondContact O-N 3.07Å; A2-F6 VanDerWaalsContact O-N 3.07Å
3L35.3Very low47.8Very low148 Ų14895.6 Ų95.678%0.77553%0.529SS*.Hα-helixtrans-70.6-35-175.7-82161.8000114.6M1 H5 F6 A7M1-L3 PolarHBondContact O-N 3.48Å; L3-H5 VanDerWaalsContact C-N 3.31Å; L3-F6 PolarHBondContact O-N 3.02Å; L3-A7 PolarHBondContact O-N 3.31Å
4V40.9Very low47.9Very low105 Ų10594.1 Ų94.164%0.63653%0.528SS*.Hα-helixtrans-69.9-31.8173.1-86.10000111.8M1 A8M1-V4 VanDerWaalsContact O-CG2 3.25Å; M1-V4 WeakPolarHBondContact O-CG2 3.25Å; V4-A8 VanDerWaalsContact O-CB 3.32Å; V4-A8 WeakPolarHBondContact O-CB 3.37Å; V4-A8 PolarHBondContact O-N 2.86Å; V4-A8 VanDerWaalsContact O-N 3.11Å
5H45Very low48.4Very low114 Ų11489.5 Ų89.553%0.52850%0.501SS..Hα-helixtrans-64.9-41.3171.9-130.3-131.2000110.7A2 L3 F9A2-H5 WeakPolarHBondContact O-CB 3.41Å; A2-H5 PolarHBondContact O-N 3.12Å; L3-H5 VanDerWaalsContact C-N 3.31Å; H5-F9 WeakPolarHBondContact O-CB 3.23Å; H5-F9 PolarHBondContact O-N 3.3Å
6F43.6Very low48.8Very low139 Ų13984.3 Ų84.361%0.6147%0.473SS*.Hα-helixtrans-69.6-43.6179.2-158.1-96.3000112.9A2 L3 F9 V10A2-F6 PolarHBondContact O-N 3.07Å; A2-F6 VanDerWaalsContact O-N 3.07Å; L3-F6 PolarHBondContact O-N 3.02Å; F6-F9 PolarHBondContact O-N 3.32Å; F6-V10 HydrophobicContact CD1-CG2 3.79Å; F6-V10 HydrophobicContact CE1-CG2 3.63Å; F6-V10 HydrophobicContact CG-CG2 4.5Å; F6-V10 HydrophobicContact CZ-CG2 4.21Å; F6-V10 WeakPolarHBondContact O-CB 2.97Å; F6-V10 VanDerWaalsContact O-CG2 3.23Å; F6-V10 WeakPolarHBondContact O-CG2 3.32Å; F6-V10 PolarHBondContact O-N 2.8Å
7A45.2Very low49.1Very low58 Ų5884.7 Ų84.748%0.47947%0.474SS..Hα-helixtrans-67.3-44.3179.800000112.3L3 F9 V10 L11L3-A7 PolarHBondContact O-N 3.31Å; A7-F9 VanDerWaalsContact C-N 3.35Å; A7-V10 PolarHBondContact O-N 2.9Å; A7-L11 WeakPolarHBondContact O-CB 2.98Å; A7-L11 PolarHBondContact O-N 3.11Å
8A51.3Low49.3Very low50 Ų5082.6 Ų82.641%0.41346%0.459SS..Hα-helixtrans-60.8-47172.100000110V4 V10 L11 F12V4-A8 VanDerWaalsContact O-CB 3.32Å; V4-A8 WeakPolarHBondContact O-CB 3.37Å; V4-A8 PolarHBondContact O-N 2.86Å; V4-A8 VanDerWaalsContact O-N 3.11Å; A8-V10 PolarHBondContact O-N 3.35Å; A8-L11 PolarHBondContact O-N 3.28Å; A8-F12 WeakPolarHBondContact O-CA 2.97Å; A8-F12 WeakPolarHBondContact O-CB 3.32Å; A8-F12 PolarHBondContact O-N 2.95Å
9F50.5Low49.6Very low90 Ų9079.4 Ų79.440%0.39544%0.442SS..Hα-helixtrans-61-37178.3-172.5-97.5000113.7H5 F6 A7 N13H5-F9 WeakPolarHBondContact O-CB 3.23Å; H5-F9 PolarHBondContact O-N 3.3Å; F6-F9 PolarHBondContact O-N 3.32Å; A7-F9 VanDerWaalsContact C-N 3.35Å; F9-N13 WeakPolarHBondContact CD1-ND2 3.38Å; F9-N13 WeakPolarHBondContact CE1-ND2 3.3Å; F9-N13 VanDerWaalsContact CZ-ND2 3.3Å; F9-N13 WeakPolarHBondContact CZ-ND2 3.41Å; F9-N13 VanDerWaalsContact O-CB 3.24Å; F9-N13 WeakPolarHBondContact O-CB 3.3Å; F9-N13 PolarHBondContact O-N 2.58Å; F9-N13 PolarHBondContact O-ND2 2.97Å
10V53.5Low49.7Very low71 Ų7178.1 Ų78.143%0.4344%0.436SS..Hα-helixtrans-74.9-46177.7170.90000111.6F6 A7 A8 F12 N13 C14F6-V10 HydrophobicContact CD1-CG2 3.79Å; F6-V10 HydrophobicContact CE1-CG2 3.63Å; F6-V10 HydrophobicContact CG-CG2 4.5Å; F6-V10 HydrophobicContact CZ-CG2 4.21Å; F6-V10 WeakPolarHBondContact O-CB 2.97Å; F6-V10 VanDerWaalsContact O-CG2 3.23Å; F6-V10 WeakPolarHBondContact O-CG2 3.32Å; F6-V10 PolarHBondContact O-N 2.8Å; A7-V10 PolarHBondContact O-N 2.9Å; A8-V10 PolarHBondContact O-N 3.35Å; V10-F12 PolarHBondContact O-N 2.86Å; V10-N13 PolarHBondContact O-N 3.02Å; V10-C14 WeakPolarHBondContact O-CB 3.26Å; V10-C14 PolarHBondContact O-N 2.94Å
11L54.5Low49.9Very low112 Ų11280.2 Ų80.259%0.58645%0.445SS*.Hα-helixtrans-58.1-42.1172.8-120.5104.2000110A7 A8 L15A7-L11 WeakPolarHBondContact O-CB 2.98Å; A7-L11 PolarHBondContact O-N 3.11Å; A8-L11 PolarHBondContact O-N 3.28Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 PolarHBondContact O-N 3.01Å; L11-L15 VanDerWaalsContact O-N 3.07Å
12F57.7Low50.2Low32 Ų3273.8 Ų73.814%0.1442%0.421CS..Hα-helixtrans-67.7-41.1-179.8-166.3-90.7000112.8A8 V10 L15 A16 L34 W48 F108A8-F12 WeakPolarHBondContact O-CA 2.97Å; A8-F12 WeakPolarHBondContact O-CB 3.32Å; A8-F12 PolarHBondContact O-N 2.95Å; V10-F12 PolarHBondContact O-N 2.86Å; F12-L15 PolarHBondContact O-N 2.93Å; F12-A16 VanDerWaalsContact O-CB 3.27Å; F12-A16 WeakPolarHBondContact O-CB 3.41Å; F12-A16 PolarHBondContact O-N 3.2Å; F12-L34 HydrophobicContact CE1-CB 3.98Å; F12-L34 HydrophobicContact CE1-CD2 3.72Å; F12-L34 HydrophobicContact CE1-CG 4.22Å; F12-L34 HydrophobicContact CE2-CD1 4.13Å; F12-L34 HydrophobicContact CE2-CD2 4.21Å; F12-L34 HydrophobicContact CZ-CB 3.76Å; F12-L34 HydrophobicContact CZ-CD1 3.53Å; F12-L34 HydrophobicContact CZ-CD2 3.18Å; F12-L34 HydrophobicContact CZ-CG 3.57Å; F12-W48 HydrophobicContact CD1-CZ2 4.41Å; F12-W48 HydrophobicContact CE1-CH2 4.4Å; F12-W48 AromaticContact CE1-CZ2 3.9Å; F12-W48 HydrophobicContact CE1-CZ2 3.9Å; F12-W48 HydrophobicContact CZ-CZ2 4.46Å; F12-F108 HydrophobicContact CE2-CE1 4.01Å; F12-F108 HydrophobicContact CE2-CZ 4.45Å
13N56Low50.7Low31 Ų3172 Ų7217%0.16641%0.411CS..Hα-helixtrans-66.9-45.4174.4-95.9-87.7000111.7F9 V10 L15 A16 N17 S38F9-N13 WeakPolarHBondContact CD1-ND2 3.38Å; F9-N13 WeakPolarHBondContact CE1-ND2 3.3Å; F9-N13 VanDerWaalsContact CZ-ND2 3.3Å; F9-N13 WeakPolarHBondContact CZ-ND2 3.41Å; F9-N13 VanDerWaalsContact O-CB 3.24Å; F9-N13 WeakPolarHBondContact O-CB 3.3Å; F9-N13 PolarHBondContact O-N 2.58Å; F9-N13 PolarHBondContact O-ND2 2.97Å; V10-N13 PolarHBondContact O-N 3.02Å; N13-L15 PolarHBondContact O-N 3.05Å; N13-A16 PolarHBondContact O-N 3.44Å; N13-N17 WeakPolarHBondContact O-CB 3.31Å; N13-N17 PolarHBondContact O-N 3.25Å; N13-N17 PolarHBondContact O-ND2 3.48Å; N13-S38 WeakPolarHBondContact OD1-CB 3.36Å; N13-S38 PolarHBondContact OD1-O 2.97Å; N13-S38 VanDerWaalsContact OD1-O 3.06Å
14C49.6Very low51.9Low75 Ų7571.8 Ų71.851%0.50741%0.41SS..Hα-helixtrans-57.3-34.3176.5-166.80000111V10 F18V10-C14 WeakPolarHBondContact O-CB 3.26Å; V10-C14 PolarHBondContact O-N 2.94Å; C14-F18 PolarHBondContact O-N 3.2Å
15L54.5Low52.9Low25 Ų2569.4 Ų69.413%0.13141%0.407CS..Hα-helixtrans-85.5-39.4-176.2-170.9123.7000113.8L11 F12 N13 N17 F18 V19 L118L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 PolarHBondContact O-N 3.01Å; L11-L15 VanDerWaalsContact O-N 3.07Å; F12-L15 PolarHBondContact O-N 2.93Å; N13-L15 PolarHBondContact O-N 3.05Å; L15-N17 VanDerWaalsContact C-N 3.3Å; L15-N17 PolarHBondContact O-N 2.93Å; L15-F18 PolarHBondContact O-N 3.06Å; L15-F18 VanDerWaalsContact O-N 3.14Å; L15-V19 WeakPolarHBondContact O-CG2 3.09Å; L15-V19 PolarHBondContact O-N 2.8Å; L15-L118 HydrophobicContact CD1-CB 3.32Å; L15-L118 HydrophobicContact CD1-CD2 3.63Å; L15-L118 HydrophobicContact CD1-CG 3.25Å; L15-L118 HydrophobicContact CD2-CB 4.34Å; L15-L118 HydrophobicContact CD2-CD1 4.02Å; L15-L118 HydrophobicContact CD2-CD2 3.06Å; L15-L118 HydrophobicContact CD2-CG 3.25Å; L15-L118 HydrophobicContact CG-CB 4.22Å; L15-L118 HydrophobicContact CG-CD2 3.8Å; L15-L118 HydrophobicContact CG-CG 3.57Å
16A54.8Low54.6Low6 Ų671.9 Ų71.95%0.0542%0.419CS..Hα-helixtrans-60.2-44.1171.400000110.1F12 N13 F18 V19 T20F12-A16 VanDerWaalsContact O-CB 3.27Å; F12-A16 WeakPolarHBondContact O-CB 3.41Å; F12-A16 PolarHBondContact O-N 3.2Å; N13-A16 PolarHBondContact O-N 3.44Å; A16-F18 VanDerWaalsContact C-N 3.28Å; A16-F18 PolarHBondContact O-N 2.85Å; A16-V19 PolarHBondContact O-N 2.8Å; A16-T20 VanDerWaalsContact O-CG2 3.3Å; A16-T20 WeakPolarHBondContact O-CG2 3.3Å; A16-T20 PolarHBondContact O-N 3.05Å
17N53.7Low56.6Low91 Ų9165.8 Ų65.849%0.48739%0.392SS..Hα-helixtrans-64.1-29174.2-78.3-70.7000113.3N13 L15 T20N13-N17 WeakPolarHBondContact O-CB 3.31Å; N13-N17 PolarHBondContact O-N 3.25Å; N13-N17 PolarHBondContact O-ND2 3.48Å; L15-N17 VanDerWaalsContact C-N 3.3Å; L15-N17 PolarHBondContact O-N 2.93Å; N17-T20 PolarHBondContact O-OG1 2.95Å
18F52.6Low58.7Low47 Ų4767.3 Ų67.321%0.20639%0.39CS..Hα-helixtrans-76.8-37.8176.4-174.5-86.2000112.1C14 L15 A16 T20 I21 F121 A125C14-F18 PolarHBondContact O-N 3.2Å; L15-F18 PolarHBondContact O-N 3.06Å; L15-F18 VanDerWaalsContact O-N 3.14Å; A16-F18 VanDerWaalsContact C-N 3.28Å; A16-F18 PolarHBondContact O-N 2.85Å; F18-T20 PolarHBondContact O-N 3.43Å; F18-I21 HydrophobicContact CD2-CD1 4.07Å; F18-I21 HydrophobicContact CE2-CD1 4.41Å; F18-I21 WeakPolarHBondContact O-CB 3.47Å; F18-I21 PolarHBondContact O-N 3.4Å; F18-I21 VanDerWaalsContact O-N 3.16Å; F18-F121 HydrophobicContact CD1-CB 3.82Å; F18-F121 HydrophobicContact CD1-CD1 4Å; F18-F121 AromaticContact CD1-CG 3.92Å; F18-F121 HydrophobicContact CD1-CG 3.92Å; F18-F121 HydrophobicContact CE1-CB 3.68Å; F18-F121 AromaticContact CE1-CD1 3.05Å; F18-F121 HydrophobicContact CE1-CD1 3.05Å; F18-F121 HydrophobicContact CE1-CD2 4.28Å; F18-F121 AromaticContact CE1-CE1 3.63Å; F18-F121 HydrophobicContact CE1-CE1 3.63Å; F18-F121 AromaticContact CE1-CG 3.43Å; F18-F121 HydrophobicContact CE1-CG 3.43Å; F18-F121 VanDerWaalsContact CE1-CG 3.43Å; F18-F121 HydrophobicContact CE1-CZ 4.47Å; F18-F121 HydrophobicContact CZ-CB 4.36Å; F18-F121 AromaticContact CZ-CD1 3.54Å; F18-F121 HydrophobicContact CZ-CD1 3.54Å; F18-F121 HydrophobicContact CZ-CE1 4.14Å; F18-F121 HydrophobicContact CZ-CG 4.24Å; F18-A125 HydrophobicContact CD2-CB 4.31Å; F18-A125 HydrophobicContact CE2-CB 4.45Å
19V55.4Low60.8Low22 Ų2265 Ų6513%0.13337%0.371CS..Hα-helixtrans-63.1-26.9178.4172.30000112.1L15 A16 I21 S22 Q31L15-V19 WeakPolarHBondContact O-CG2 3.09Å; L15-V19 PolarHBondContact O-N 2.8Å; A16-V19 PolarHBondContact O-N 2.8Å; V19-I21 PolarHBondContact O-N 2.9Å; V19-S22 PolarHBondContact O-N 3.32Å; V19-Q31 HydrophobicContact CG1-CB 3.65Å; V19-Q31 VanDerWaalsContact CG1-CD 3.42Å; V19-Q31 HydrophobicContact CG1-CG 3.65Å
20T52.7Low62.8Low53 Ų5361.8 Ų61.833%0.32536%0.356SS..THydrogen-bonded Turntrans-68.1-16.6177.269.20000114.2A16 N17 F18 S22 E35A16-T20 VanDerWaalsContact O-CG2 3.3Å; A16-T20 WeakPolarHBondContact O-CG2 3.3Å; A16-T20 PolarHBondContact O-N 3.05Å; N17-T20 PolarHBondContact O-OG1 2.95Å; F18-T20 PolarHBondContact O-N 3.43Å; T20-S22 PolarHBondContact O-N 3.38Å; T20-E35 HydrophobicContact CG2-CB 4.28Å; T20-E35 VanDerWaalsContact CG2-CD 3.42Å; T20-E35 HydrophobicContact CG2-CG 3.58Å; T20-E35 VanDerWaalsContact CG2-OE2 3.28Å; T20-E35 WeakPolarHBondContact CG2-OE2 3.46Å
21I53.2Low64.5Low123 Ų12360.2 Ų60.263%0.63134%0.344SS*.THydrogen-bonded Turntrans-73.2-17.7-177.3-60.6171.6000111.8F18 V19 G23F18-I21 HydrophobicContact CD2-CD1 4.07Å; F18-I21 HydrophobicContact CE2-CD1 4.41Å; F18-I21 WeakPolarHBondContact O-CB 3.47Å; F18-I21 PolarHBondContact O-N 3.4Å; F18-I21 VanDerWaalsContact O-N 3.16Å; V19-I21 PolarHBondContact O-N 2.9Å; I21-G23 PolarHBondContact O-N 3.29Å
22S52Low66.4Low74 Ų7455 Ų5552%0.51732%0.316SS..SBendtrans-82.585.6178.8-63.40000111.5V19 T20V19-S22 PolarHBondContact O-N 3.32Å; T20-S22 PolarHBondContact O-N 3.38Å
23G52.6Low68.2Low47 Ų4753.4 Ų53.449%0.48531%0.309SS..  trans38.7111.7157.700000117.2I21 G25 Q26I21-G23 PolarHBondContact O-N 3.29Å; G23-G25 PolarHBondContact O-N 2.86Å; G23-Q26 PolarHBondContact O-N 2.8Å
24N59.7Low69.9Low142 Ų14252.4 Ų52.476%0.75930%0.304SS*.THydrogen-bonded Turntrans-38.3-16-172.8-59-2000118.9
25G62.3Low71.8Confident55 Ų5550.6 Ų50.657%0.56729%0.288SS*.THydrogen-bonded Turntrans-99.9-21.2176.300000116.9G23 K71G23-G25 PolarHBondContact O-N 2.86Å; G25-K71 PolarHBondContact O-NZ 3.48Å
26Q80.4Confident73.6Confident167 Ų16749.7 Ų49.778%0.7828%0.283SS*.  trans-99.5-0.1-167.6-163.6166-4.600115G23 Q28G23-Q26 PolarHBondContact O-N 2.8Å; Q26-Q28 PolarHBondContact O-N 3.49Å
27I87Confident75.5Confident10 Ų1049.8 Ų49.85%0.05128%0.283CS..  trans-60.5138.3176.7-168.6168.7000112Q31 F32 E35 W67 R70 K71I27-Q31 HydrophobicContact CD1-CB 4.25Å; I27-Q31 HydrophobicContact CG1-CB 3.78Å; I27-F32 HydrophobicContact CD1-CB 3.93Å; I27-F32 HydrophobicContact CG1-CB 4.24Å; I27-E35 WeakPolarHBondContact CD1-OE2 3.21Å; I27-W67 HydrophobicContact CG2-CZ3 4.11Å; I27-R70 HydrophobicContact CG2-CG 3.59Å; I27-K71 HydrophobicContact CG2-CD 4.35Å; I27-K71 PolarHBondContact O-NZ 3.16Å
28Q89.6Confident77.2Confident90 Ų9046.2 Ų46.242%0.42127%0.265SS..  trans-88.1155.7173.4-59.3-174.327.800110.9Q26 W30 Q31 F32Q26-Q28 PolarHBondContact O-N 3.49Å; Q28-W30 VanDerWaalsContact C-N 3.33Å; Q28-W30 PolarHBondContact O-N 2.97Å; Q28-Q31 HydrophobicContact CB-CG 4.27Å; Q28-Q31 WeakPolarHBondContact O-CB 3.15Å; Q28-Q31 PolarHBondContact O-N 3.23Å; Q28-F32 PolarHBondContact O-N 3.23Å
29L93.6Very high78.9Confident3 Ų347.2 Ų47.22%0.01627%0.272CS..Hα-helixtrans-58.9-43.5-176.8173.763.3000112.2Q31 F32 L33 W67 L81 A84 L85 Y88L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 2.78Å; L29-F32 HydrophobicContact CD1-CD1 4.15Å; L29-F32 WeakPolarHBondContact O-CB 3.36Å; L29-F32 PolarHBondContact O-N 3.03Å; L29-L33 HydrophobicContact CD1-CD1 4.23Å; L29-L33 HydrophobicContact CD1-CD2 4.42Å; L29-L33 HydrophobicContact CD1-CG 4.09Å; L29-L33 HydrophobicContact CG-CD1 4.11Å; L29-L33 HydrophobicContact CG-CG 4.4Å; L29-L33 VanDerWaalsContact O-CG 3.32Å; L29-L33 WeakPolarHBondContact O-CG 2.89Å; L29-L33 PolarHBondContact O-N 2.86Å; L29-W67 HydrophobicContact CB-CH2 4.12Å; L29-W67 HydrophobicContact CB-CZ2 3.93Å; L29-W67 HydrophobicContact CD1-CD2 3.86Å; L29-W67 HydrophobicContact CD1-CE3 4.27Å; L29-W67 HydrophobicContact CD1-CG 4.03Å; L29-W67 HydrophobicContact CD1-CZ2 4.46Å; L29-L81 HydrophobicContact CD1-CD1 4.02Å; L29-L81 HydrophobicContact CD1-CG 4.02Å; L29-L81 HydrophobicContact CD2-CD2 4.3Å; L29-L81 HydrophobicContact CD2-CG 4.06Å; L29-A84 HydrophobicContact CD2-CB 3.56Å; L29-L85 HydrophobicContact CD2-CD2 4.11Å; L29-L85 HydrophobicContact CD2-CG 4.14Å; L29-Y88 HydrophobicContact CB-CE2 4.09Å; L29-Y88 HydrophobicContact CD2-CE2 4.18Å; L29-Y88 HydrophobicContact CG-CE2 4.3Å
30W93.1Very high80.6Confident21 Ų2148.5 Ų48.58%0.0829%0.29CS..Hα-helixtrans-61.4-41.6179.371.5-90.7000111.7Q28 F32 L33 L34 Y88 I93 I94 F106 I114 L118Q28-W30 VanDerWaalsContact C-N 3.33Å; Q28-W30 PolarHBondContact O-N 2.97Å; W30-F32 PolarHBondContact O-N 3.35Å; W30-L33 PolarHBondContact O-N 3.48Å; W30-L34 HydrophobicContact CE3-CD1 3.53Å; W30-L34 HydrophobicContact CZ3-CD1 3.69Å; W30-L34 VanDerWaalsContact O-CG 3.27Å; W30-L34 WeakPolarHBondContact O-CG 3.46Å; W30-L34 PolarHBondContact O-N 3.03Å; W30-L34 VanDerWaalsContact O-N 3.13Å; W30-Y88 HydrophobicContact CB-CE2 4.02Å; W30-Y88 AromaticContact CD1-CZ 3.91Å; W30-I93 HydrophobicContact CB-CG2 3.82Å; W30-I93 HydrophobicContact CD2-CG2 4.27Å; W30-I93 HydrophobicContact CG-CG2 3.9Å; W30-I94 HydrophobicContact CB-CD1 4.05Å; W30-F106 HydrophobicContact CB-CE1 4.2Å; W30-I114 HydrophobicContact CH2-CD1 4.04Å; W30-I114 HydrophobicContact CH2-CG1 4.36Å; W30-I114 HydrophobicContact CH2-CG2 3.78Å; W30-I114 HydrophobicContact CZ2-CD1 4.04Å; W30-I114 HydrophobicContact CZ2-CG1 4.42Å; W30-I114 HydrophobicContact CZ3-CD1 4.33Å; W30-I114 HydrophobicContact CZ3-CG2 4.07Å; W30-L118 HydrophobicContact CH2-CD1 4.49Å
31Q90.5Very high82.5Confident39 Ų3956 Ų5618%0.18231%0.313CS..Hα-helixtrans-62.9-43.2175.8-63.7174.6-43.600111.7V19 I27 Q28 L29 L34 E35V19-Q31 HydrophobicContact CG1-CB 3.65Å; V19-Q31 VanDerWaalsContact CG1-CD 3.42Å; V19-Q31 HydrophobicContact CG1-CG 3.65Å; I27-Q31 HydrophobicContact CD1-CB 4.25Å; I27-Q31 HydrophobicContact CG1-CB 3.78Å; Q28-Q31 HydrophobicContact CB-CG 4.27Å; Q28-Q31 WeakPolarHBondContact O-CB 3.15Å; Q28-Q31 PolarHBondContact O-N 3.23Å; L29-Q31 VanDerWaalsContact C-N 3.32Å; L29-Q31 PolarHBondContact O-N 2.78Å; Q31-L34 PolarHBondContact O-N 3.1Å; Q31-E35 PolarHBondContact O-N 3.44Å
32F93Very high84.4Confident1 Ų151 Ų510%0.00429%0.287CS..Hα-helixtrans-62.2-41.7176.8167.4-100.5000112.6I27 Q28 L29 W30 L34 E35 L36 V63 R66 W67 R70I27-F32 HydrophobicContact CD1-CB 3.93Å; I27-F32 HydrophobicContact CG1-CB 4.24Å; Q28-F32 PolarHBondContact O-N 3.23Å; L29-F32 HydrophobicContact CD1-CD1 4.15Å; L29-F32 WeakPolarHBondContact O-CB 3.36Å; L29-F32 PolarHBondContact O-N 3.03Å; W30-F32 PolarHBondContact O-N 3.35Å; F32-L34 VanDerWaalsContact C-N 3.29Å; F32-L34 PolarHBondContact O-N 3.17Å; F32-E35 WeakPolarHBondContact O-CB 3.24Å; F32-E35 PolarHBondContact O-N 2.87Å; F32-L36 HydrophobicContact CD1-CD1 4.41Å; F32-L36 HydrophobicContact CE1-CD1 3.61Å; F32-L36 HydrophobicContact CE1-CG 4.26Å; F32-L36 HydrophobicContact CE2-CD1 4.25Å; F32-L36 HydrophobicContact CE2-CD2 4.28Å; F32-L36 HydrophobicContact CE2-CG 4.15Å; F32-L36 HydrophobicContact CZ-CD1 3.53Å; F32-L36 HydrophobicContact CZ-CD2 4.27Å; F32-L36 HydrophobicContact CZ-CG 3.94Å; F32-L36 PolarHBondContact O-N 2.89Å; F32-V63 HydrophobicContact CE1-CG1 4.47Å; F32-R66 HydrophobicContact CE2-CB 4.45Å; F32-R66 HydrophobicContact CZ-CB 3.77Å; F32-W67 HydrophobicContact CB-CE3 3.85Å; F32-W67 HydrophobicContact CB-CZ3 3.74Å; F32-W67 HydrophobicContact CD1-CB 4.14Å; F32-W67 HydrophobicContact CD1-CD2 4.26Å; F32-W67 AromaticContact CD1-CE3 3.62Å; F32-W67 HydrophobicContact CD1-CE3 3.62Å; F32-W67 HydrophobicContact CD1-CG 4.49Å; F32-W67 HydrophobicContact CD1-CZ3 4.37Å; F32-W67 HydrophobicContact CD2-CE3 4.15Å; F32-W67 HydrophobicContact CE1-CB 3.61Å; F32-W67 HydrophobicContact CE1-CE3 4.19Å; F32-W67 HydrophobicContact CE1-CG 4.42Å; F32-W67 AromaticContact CG-CE3 3.58Å; F32-W67 HydrophobicContact CG-CE3 3.58Å; F32-W67 HydrophobicContact CG-CZ3 4Å; F32-W67 HydrophobicContact CZ-CB 4.07Å; F32-R70 HydrophobicContact CD2-CB 4.42Å; F32-R70 HydrophobicContact CD2-CG 4.26Å; F32-R70 HydrophobicContact CE2-CB 4.3Å
33L95.1Very high86.5Confident0 Ų052.8 Ų52.80%029%0.289CS..Hα-helixtrans-63.7-38.8176.7-68171.8000111.4L29 W30 L36 L37 I46 F55 L57 V63 L85 I94 F106L29-L33 HydrophobicContact CD1-CD1 4.23Å; L29-L33 HydrophobicContact CD1-CD2 4.42Å; L29-L33 HydrophobicContact CD1-CG 4.09Å; L29-L33 HydrophobicContact CG-CD1 4.11Å; L29-L33 HydrophobicContact CG-CG 4.4Å; L29-L33 VanDerWaalsContact O-CG 3.32Å; L29-L33 WeakPolarHBondContact O-CG 2.89Å; L29-L33 PolarHBondContact O-N 2.86Å; W30-L33 PolarHBondContact O-N 3.48Å; L33-L36 PolarHBondContact O-N 2.79Å; L33-L37 WeakPolarHBondContact O-CB 3.37Å; L33-L37 WeakPolarHBondContact O-CD1 3.34Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 2.84Å; L33-I46 HydrophobicContact CB-CD1 4.38Å; L33-I46 HydrophobicContact CD2-CD1 3.8Å; L33-F55 HydrophobicContact CD1-CE2 4.38Å; L33-F55 HydrophobicContact CD1-CZ 4.27Å; L33-L57 HydrophobicContact CD2-CD2 4.34Å; L33-V63 HydrophobicContact CD2-CG1 3.75Å; L33-L85 HydrophobicContact CD1-CD2 3.7Å; L33-I94 HydrophobicContact CD1-CD1 4.17Å; L33-F106 HydrophobicContact CB-CZ 4.2Å
34L91.5Very high88.5Confident10 Ų1058.8 Ų58.85%0.05230%0.304CS..Hα-helixtrans-67.9-38176.4-66.1174.1000112.9F12 W30 Q31 F32 L37 S38 W48 F106F12-L34 HydrophobicContact CE1-CB 3.98Å; F12-L34 HydrophobicContact CE1-CD2 3.72Å; F12-L34 HydrophobicContact CE1-CG 4.22Å; F12-L34 HydrophobicContact CE2-CD1 4.13Å; F12-L34 HydrophobicContact CE2-CD2 4.21Å; F12-L34 HydrophobicContact CZ-CB 3.76Å; F12-L34 HydrophobicContact CZ-CD1 3.53Å; F12-L34 HydrophobicContact CZ-CD2 3.18Å; F12-L34 HydrophobicContact CZ-CG 3.57Å; W30-L34 HydrophobicContact CE3-CD1 3.53Å; W30-L34 HydrophobicContact CZ3-CD1 3.69Å; W30-L34 VanDerWaalsContact O-CG 3.27Å; W30-L34 WeakPolarHBondContact O-CG 3.46Å; W30-L34 PolarHBondContact O-N 3.03Å; W30-L34 VanDerWaalsContact O-N 3.13Å; Q31-L34 PolarHBondContact O-N 3.1Å; F32-L34 VanDerWaalsContact C-N 3.29Å; F32-L34 PolarHBondContact O-N 3.17Å; L34-L37 HydrophobicContact CD2-CD1 4.29Å; L34-L37 PolarHBondContact O-N 2.93Å; L34-S38 WeakPolarHBondContact O-CB 3.41Å; L34-S38 PolarHBondContact O-N 2.9Å; L34-W48 HydrophobicContact CD2-CH2 3.77Å; L34-W48 HydrophobicContact CD2-CZ2 4.18Å; L34-F106 HydrophobicContact CD1-CD1 4.4Å; L34-F106 HydrophobicContact CD1-CE1 3.9Å; L34-F106 HydrophobicContact CD1-CZ 4.25Å; L34-F106 HydrophobicContact CD2-CD1 4.08Å; L34-F106 HydrophobicContact CD2-CD2 3.66Å; L34-F106 HydrophobicContact CD2-CE1 3.61Å; L34-F106 HydrophobicContact CD2-CE2 3.17Å; L34-F106 HydrophobicContact CD2-CG 4.1Å; L34-F106 HydrophobicContact CD2-CZ 3.15Å; L34-F106 HydrophobicContact CG-CD1 4.47Å; L34-F106 HydrophobicContact CG-CE1 3.72Å; L34-F106 HydrophobicContact CG-CE2 4.1Å; L34-F106 HydrophobicContact CG-CZ 3.53Å
35E89.7Confident90.3Very high36 Ų3652.3 Ų52.317%0.16827%0.27CS..Hα-helixtrans-58.6-48.6171.6-178.4-172137.700110.6T20 I27 Q31 F32 L37 S38 R70T20-E35 HydrophobicContact CG2-CB 4.28Å; T20-E35 VanDerWaalsContact CG2-CD 3.42Å; T20-E35 HydrophobicContact CG2-CG 3.58Å; T20-E35 VanDerWaalsContact CG2-OE2 3.28Å; T20-E35 WeakPolarHBondContact CG2-OE2 3.46Å; I27-E35 WeakPolarHBondContact CD1-OE2 3.21Å; Q31-E35 PolarHBondContact O-N 3.44Å; F32-E35 WeakPolarHBondContact O-CB 3.24Å; F32-E35 PolarHBondContact O-N 2.87Å; E35-L37 VanDerWaalsContact C-N 3.32Å; E35-L37 PolarHBondContact O-N 2.86Å; E35-S38 WeakPolarHBondContact O-CB 3.3Å; E35-S38 PolarHBondContact O-N 3.27Å; E35-S38 PolarHBondContact O-OG 3.4Å; E35-R70 VanDerWaalsContact CD-NH1 3.3Å; E35-R70 IonicContact OE1-CZ 2.72Å; E35-R70 VanDerWaalsContact OE1-CZ 3.32Å; E35-R70 IonicContact OE1-NH1 3.32Å; E35-R70 PolarHBondContact OE1-NH1 3.32Å; E35-R70 IonicContact OE1-NH2 2.83Å; E35-R70 PolarHBondContact OE1-NH2 3.04Å; E35-R70 IonicContact OE2-CZ 3.95Å; E35-R70 IonicContact OE2-NH1 3.83Å; E35-R70 PolarHBondContact OE2-NH1 3.37Å; E35-R70 IonicContact OE2-NH2 3.01Å
36L93.7Very high92Very high7 Ų749.8 Ų49.84%0.03724%0.243CC..Hα-helixtrans-61.3-42.5177-67.1-177.5000112.1F32 L33 S38 D39 N42 I46 V63F32-L36 HydrophobicContact CD1-CD1 4.41Å; F32-L36 HydrophobicContact CE1-CD1 3.61Å; F32-L36 HydrophobicContact CE1-CG 4.26Å; F32-L36 HydrophobicContact CE2-CD1 4.25Å; F32-L36 HydrophobicContact CE2-CD2 4.28Å; F32-L36 HydrophobicContact CE2-CG 4.15Å; F32-L36 HydrophobicContact CZ-CD1 3.53Å; F32-L36 HydrophobicContact CZ-CD2 4.27Å; F32-L36 HydrophobicContact CZ-CG 3.94Å; F32-L36 PolarHBondContact O-N 2.89Å; L33-L36 PolarHBondContact O-N 2.79Å; L36-S38 PolarHBondContact O-N 2.93Å; L36-D39 PolarHBondContact O-N 3.32Å; L36-N42 WeakPolarHBondContact O-CB 3.33Å; L36-N42 PolarHBondContact O-ND2 3.19Å; L36-I46 HydrophobicContact CB-CG2 3.51Å; L36-I46 HydrophobicContact CD1-CG2 4.01Å; L36-I46 HydrophobicContact CG-CG2 4.41Å; L36-V63 HydrophobicContact CD1-CG1 4.3Å
37L93.9Very high92.7Very high8 Ų843.3 Ų43.34%0.04222%0.215CC..Hα-helixtrans-69.4-16.5179.1-80.4166.6000114.3L33 L34 E35 I46 T47 W48 F55 F106L33-L37 WeakPolarHBondContact O-CB 3.37Å; L33-L37 WeakPolarHBondContact O-CD1 3.34Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 2.84Å; L34-L37 HydrophobicContact CD2-CD1 4.29Å; L34-L37 PolarHBondContact O-N 2.93Å; E35-L37 VanDerWaalsContact C-N 3.32Å; E35-L37 PolarHBondContact O-N 2.86Å; L37-I46 HydrophobicContact CD1-CD1 4Å; L37-I46 HydrophobicContact CD1-CG1 4.41Å; L37-I46 HydrophobicContact CD2-CD1 4.19Å; L37-I46 HydrophobicContact CD2-CG1 3.71Å; L37-I46 HydrophobicContact CG-CD1 3.76Å; L37-I46 HydrophobicContact CG-CG1 3.85Å; L37-T47 VanDerWaalsContact CD2-C 3.43Å; L37-W48 HydrophobicContact CB-CD2 4.47Å; L37-W48 HydrophobicContact CB-CH2 4.4Å; L37-W48 HydrophobicContact CB-CZ2 3.57Å; L37-W48 HydrophobicContact CD1-CD2 4.34Å; L37-W48 HydrophobicContact CD1-CE3 4.3Å; L37-W48 HydrophobicContact CD1-CH2 3.67Å; L37-W48 HydrophobicContact CD1-CZ2 3.7Å; L37-W48 HydrophobicContact CD1-CZ3 3.97Å; L37-W48 HydrophobicContact CD2-CD2 3.86Å; L37-W48 HydrophobicContact CD2-CE3 4.39Å; L37-W48 HydrophobicContact CD2-CG 4Å; L37-W48 HydrophobicContact CD2-CZ2 4.37Å; L37-W48 HydrophobicContact CG-CD2 4.46Å; L37-W48 HydrophobicContact CG-CZ2 4.08Å; L37-W48 PolarHBondContact O-NE1 3.07Å; L37-F55 HydrophobicContact CD1-CB 3.8Å; L37-F55 HydrophobicContact CD1-CD1 4.28Å; L37-F55 HydrophobicContact CD1-CD2 3.97Å; L37-F55 HydrophobicContact CD1-CG 3.77Å; L37-F55 HydrophobicContact CD2-CB 3.95Å; L37-F106 HydrophobicContact CD1-CE2 3.94Å
38S89.4Confident93.1Very high16 Ų1646.2 Ų46.211%0.11223%0.226CC..Hα-helixtrans-77.2-30.8178.274.30000112.2N13 L34 E35 L36N13-S38 WeakPolarHBondContact OD1-CB 3.36Å; N13-S38 PolarHBondContact OD1-O 2.97Å; N13-S38 VanDerWaalsContact OD1-O 3.06Å; L34-S38 WeakPolarHBondContact O-CB 3.41Å; L34-S38 PolarHBondContact O-N 2.9Å; E35-S38 WeakPolarHBondContact O-CB 3.3Å; E35-S38 PolarHBondContact O-N 3.27Å; E35-S38 PolarHBondContact O-OG 3.4Å; L36-S38 PolarHBondContact O-N 2.93Å
39D89.2Confident93.1Very high67 Ų6745.2 Ų45.236%0.35822%0.221SC..SBendtrans-100.7114.8178.6-176.6-0.3000111.1L36 R41 N42L36-D39 PolarHBondContact O-N 3.32Å; D39-R41 PolarHBondContact O-N 2.91Å; D39-R41 VanDerWaalsContact OD1-CB 3.31Å; D39-R41 WeakPolarHBondContact OD1-CB 3.44Å; D39-R41 WeakPolarHBondContact OD1-CG 3.38Å; D39-R41 PolarHBondContact OD1-N 3.42Å; D39-N42 WeakPolarHBondContact O-CB 3.36Å; D39-N42 PolarHBondContact O-N 2.64Å; D39-N42 PolarHBondContact O-ND2 2.75Å
40G90Very high92.7Very high49 Ų4947.8 Ų47.851%0.50525%0.248SC..G310 helixtrans-59.6-16.7177.700000114.2N42 M43G40-N42 PolarHBondContact O-N 3.34Å; G40-M43 WeakPolarHBondContact O-CB 3.21Å; G40-M43 WeakPolarHBondContact O-CG 3.36Å; G40-M43 PolarHBondContact O-N 2.96Å
41R93Very high92.4Very high211 Ų21150.5 Ų50.580%0.79627%0.267SS*.G310 helixtrans-66.1-15.5173.3-61.7172.166.3179.11.1113.2D39D39-R41 PolarHBondContact O-N 2.91Å; D39-R41 VanDerWaalsContact OD1-CB 3.31Å; D39-R41 WeakPolarHBondContact OD1-CB 3.44Å; D39-R41 WeakPolarHBondContact OD1-CG 3.38Å; D39-R41 PolarHBondContact OD1-N 3.42Å
42N93.8Very high92.1Very high19 Ų1953 Ų5310%0.10228%0.281CS..G310 helixtrans-93.73.5179.4-57.8-43.1000113.5L36 D39 G40 E44 C45 I46 R66L36-N42 WeakPolarHBondContact O-CB 3.33Å; L36-N42 PolarHBondContact O-ND2 3.19Å; D39-N42 WeakPolarHBondContact O-CB 3.36Å; D39-N42 PolarHBondContact O-N 2.64Å; D39-N42 PolarHBondContact O-ND2 2.75Å; G40-N42 PolarHBondContact O-N 3.34Å; N42-E44 PolarHBondContact O-N 3.35Å; N42-C45 PolarHBondContact O-N 3.35Å; N42-C45 PolarHBondContact O-SG 2.77Å; N42-I46 CarbonylContact C-O 3.51Å; N42-I46 HydrophobicContact CB-CG2 4.27Å; N42-I46 PolarHBondContact O-N 2.98Å; N42-R66 PolarHBondContact OD1-NH1 2.84Å
43M94.3Very high91.9Very high111 Ų11153.1 Ų53.155%0.54728%0.283SS..THydrogen-bonded Turntrans-55.5-26.8-176.7-76.1174.570.600114.1G40 C45 I46G40-M43 WeakPolarHBondContact O-CB 3.21Å; G40-M43 WeakPolarHBondContact O-CG 3.36Å; G40-M43 PolarHBondContact O-N 2.96Å; M43-C45 VanDerWaalsContact C-N 3.28Å; M43-C45 PolarHBondContact O-N 2.77Å; M43-I46 WeakPolarHBondContact CA-O 3.45Å
44E96.2Very high91.8Very high173 Ų17354.6 Ų54.681%0.80829%0.29SS*.THydrogen-bonded Turntrans-67.9-25.3176.9-64.8-176.2168.200113.2N42 V58N42-E44 PolarHBondContact O-N 3.35Å; E44-V58 WeakPolarHBondContact O-CB 3.46Å; E44-V58 VanDerWaalsContact O-CG1 3.26Å; E44-V58 WeakPolarHBondContact O-CG1 3.44Å
45C96.9Very high92.1Very high5 Ų554.1 Ų54.13%0.03429%0.288CS..THydrogen-bonded Turntrans-111.3-31.7178.567.80000113.5N42 M43 L57 V58 D59 E62 V63N42-C45 PolarHBondContact O-N 3.35Å; N42-C45 PolarHBondContact O-SG 2.77Å; M43-C45 VanDerWaalsContact C-N 3.28Å; M43-C45 PolarHBondContact O-N 2.77Å; C45-L57 CarbonylContact O-C 3.56Å; C45-V58 PolarHBondContact O-N 3.48Å; C45-D59 HydrophobicContact CB-CB 4.08Å; C45-D59 PolarHBondContact O-N 3.25Å; C45-E62 HydrophobicContact CB-CB 4.01Å; C45-E62 HydrophobicContact CB-CG 3.75Å; C45-V63 HydrophobicContact CB-CG2 4.06Å; C45-V63 WeakPolarHBondContact O-CG2 3.42Å
46I97.4Very high92.4Very high2 Ų255.9 Ų55.91%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-151.2134.2178.2-174172.6000110.9L33 L36 L37 N42 M43 F55 K56 L57 V63L33-I46 HydrophobicContact CB-CD1 4.38Å; L33-I46 HydrophobicContact CD2-CD1 3.8Å; L36-I46 HydrophobicContact CB-CG2 3.51Å; L36-I46 HydrophobicContact CD1-CG2 4.01Å; L36-I46 HydrophobicContact CG-CG2 4.41Å; L37-I46 HydrophobicContact CD1-CD1 4Å; L37-I46 HydrophobicContact CD1-CG1 4.41Å; L37-I46 HydrophobicContact CD2-CD1 4.19Å; L37-I46 HydrophobicContact CD2-CG1 3.71Å; L37-I46 HydrophobicContact CG-CD1 3.76Å; L37-I46 HydrophobicContact CG-CG1 3.85Å; N42-I46 CarbonylContact C-O 3.51Å; N42-I46 HydrophobicContact CB-CG2 4.27Å; N42-I46 PolarHBondContact O-N 2.98Å; M43-I46 WeakPolarHBondContact CA-O 3.45Å; I46-F55 HydrophobicContact CD1-CD2 3.93Å; I46-F55 HydrophobicContact CD1-CE2 4.16Å; I46-F55 HydrophobicContact CG1-CD2 4.18Å; I46-K56 WeakPolarHBondContact CA-O 3.38Å; I46-L57 HydrophobicContact CB-CD2 4.36Å; I46-L57 HydrophobicContact CD1-CD2 3.5Å; I46-L57 VanDerWaalsContact CD1-CD2 3.5Å; I46-L57 HydrophobicContact CG1-CD2 3.79Å; I46-V63 HydrophobicContact CB-CG2 3.98Å; I46-V63 HydrophobicContact CG2-CG2 4.42Å
47T95.4Very high92.6Very high32 Ų3255.5 Ų55.520%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-145.4153.5-177.2-167.40000112.1L37 F55 K56 V58L37-T47 VanDerWaalsContact CD2-C 3.43Å; T47-F55 CarbonylContact O-C 3.57Å; T47-F55 VanDerWaalsContact O-CA 3.3Å; T47-F55 WeakPolarHBondContact O-CA 3.34Å; T47-F55 WeakPolarHBondContact O-CB 3.45Å; T47-K56 PolarHBondContact N-O 3.41Å; T47-K56 PolarHBondContact O-N 3.18Å; T47-V58 HydrophobicContact CG2-CG2 3.72Å
48W94.9Very high92.8Very high71 Ų7158.8 Ų58.827%0.26931%0.313SS..EExtended strand (participates in β ladder)trans-69.4132.6167.3-63.9108.7000109.4F12 L34 L37 F55 F106F12-W48 HydrophobicContact CD1-CZ2 4.41Å; F12-W48 HydrophobicContact CE1-CH2 4.4Å; F12-W48 AromaticContact CE1-CZ2 3.9Å; F12-W48 HydrophobicContact CE1-CZ2 3.9Å; F12-W48 HydrophobicContact CZ-CZ2 4.46Å; L34-W48 HydrophobicContact CD2-CH2 3.77Å; L34-W48 HydrophobicContact CD2-CZ2 4.18Å; L37-W48 HydrophobicContact CB-CD2 4.47Å; L37-W48 HydrophobicContact CB-CH2 4.4Å; L37-W48 HydrophobicContact CB-CZ2 3.57Å; L37-W48 HydrophobicContact CD1-CD2 4.34Å; L37-W48 HydrophobicContact CD1-CE3 4.3Å; L37-W48 HydrophobicContact CD1-CH2 3.67Å; L37-W48 HydrophobicContact CD1-CZ2 3.7Å; L37-W48 HydrophobicContact CD1-CZ3 3.97Å; L37-W48 HydrophobicContact CD2-CD2 3.86Å; L37-W48 HydrophobicContact CD2-CE3 4.39Å; L37-W48 HydrophobicContact CD2-CG 4Å; L37-W48 HydrophobicContact CD2-CZ2 4.37Å; L37-W48 HydrophobicContact CG-CD2 4.46Å; L37-W48 HydrophobicContact CG-CZ2 4.08Å; L37-W48 PolarHBondContact O-NE1 3.07Å; W48-F55 HydrophobicContact CE3-CB 3.83Å; W48-F55 HydrophobicContact CZ3-CB 4.09Å; W48-F55 HydrophobicContact CZ3-CD1 4.37Å; W48-F106 AromaticContact CH2-CD2 3.93Å; W48-F106 HydrophobicContact CH2-CD2 3.93Å; W48-F106 HydrophobicContact CH2-CE2 4.2Å; W48-F106 AromaticContact CZ3-CD2 3.97Å; W48-F106 HydrophobicContact CZ3-CD2 3.97Å; W48-F106 HydrophobicContact CZ3-CE2 4.43Å
49E89.9Confident93.2Very high69 Ų6961.2 Ų61.232%0.32233%0.325SS..  trans-150129.1179.7-169.7-154.6129.900110.1E54 K56 K100E49-E54 PolarHBondContact N-O 3.21Å; E49-E54 CarbonylContact O-C 3.3Å; E49-E54 VanDerWaalsContact O-C 3.3Å; E49-E54 WeakPolarHBondContact O-CB 3.46Å; E49-E54 VanDerWaalsContact O-O 3.09Å; E49-K56 HydrophobicContact CB-CB 4.37Å; E49-K56 WeakPolarHBondContact OE2-CD 3.49Å; E49-K56 IonicContact OE2-NZ 2.86Å; E49-K100 IonicContact OE1-NZ 3.56Å; E49-K100 PolarHBondContact OE1-NZ 3.39Å
50G86.2Confident93.6Very high57 Ų5758.6 Ų58.659%0.58831%0.312SS*.SBendtrans99.1-136.3172.700000113.3
51T85.6Confident94Very high77 Ų7761.4 Ų61.447%0.47232%0.315SS..SBendtrans-80.3171.4-179.8760000112.1G53 E54 K105T51-G53 PolarHBondContact O-N 2.87Å; T51-E54 PolarHBondContact N-OE2 2.65Å; T51-E54 VanDerWaalsContact N-OE2 3.12Å; T51-E54 WeakPolarHBondContact O-CB 3.3Å; T51-E54 PolarHBondContact O-N 3.16Å; T51-E54 PolarHBondContact OG1-OE1 3.45Å; T51-K105 PolarHBondContact OG1-NZ 3.2Å
52N84.7Confident94.3Very high91 Ų9153.3 Ų53.349%0.48729%0.286SS..THydrogen-bonded Turntrans-52.7126-179.8-175.553.2000111.9E54 K105N52-E54 VanDerWaalsContact C-N 3.33Å; N52-K105 VanDerWaalsContact O-CE 3.3Å; N52-K105 WeakPolarHBondContact O-CE 3.46Å
53G88.5Confident94.5Very high4 Ų452.4 Ų52.44%0.04128%0.281CS..THydrogen-bonded Turntrans83.7-5.6-177.500000115.5T51 K105 F106T51-G53 PolarHBondContact O-N 2.87Å; G53-K105 CarbonylContact O-C 3.57Å; G53-K105 WeakPolarHBondContact O-CA 3.44Å; G53-F106 PolarHBondContact O-N 3.08Å
54E94.3Very high94.7Very high31 Ų3147.2 Ų47.215%0.14526%0.256CS..EExtended strand (participates in β ladder)trans-81.3133175.6-68.2177.2-161.600111.6E49 T51 N52 V97 Y104 K105E49-E54 PolarHBondContact N-O 3.21Å; E49-E54 CarbonylContact O-C 3.3Å; E49-E54 VanDerWaalsContact O-C 3.3Å; E49-E54 WeakPolarHBondContact O-CB 3.46Å; E49-E54 VanDerWaalsContact O-O 3.09Å; T51-E54 PolarHBondContact N-OE2 2.65Å; T51-E54 VanDerWaalsContact N-OE2 3.12Å; T51-E54 WeakPolarHBondContact O-CB 3.3Å; T51-E54 PolarHBondContact O-N 3.16Å; T51-E54 PolarHBondContact OG1-OE1 3.45Å; N52-E54 VanDerWaalsContact C-N 3.33Å; E54-V97 HydrophobicContact CG-CG2 4.2Å; E54-Y104 WeakPolarHBondContact CA-O 3.23Å; E54-K105 HydrophobicContact CG-CB 3.9Å; E54-K105 HydrophobicContact CG-CD 3.62Å; E54-K105 HydrophobicContact CG-CG 3.68Å; E54-K105 IonicContact OE1-NZ 3.92Å
55F96.1Very high94.7Very high1 Ų144.3 Ų44.30%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-139.7159.9178.869.5-81.8000110.6L33 L37 I46 T47 W48 L57 I94 A103 Y104 F106L33-F55 HydrophobicContact CD1-CE2 4.38Å; L33-F55 HydrophobicContact CD1-CZ 4.27Å; L37-F55 HydrophobicContact CD1-CB 3.8Å; L37-F55 HydrophobicContact CD1-CD1 4.28Å; L37-F55 HydrophobicContact CD1-CD2 3.97Å; L37-F55 HydrophobicContact CD1-CG 3.77Å; L37-F55 HydrophobicContact CD2-CB 3.95Å; I46-F55 HydrophobicContact CD1-CD2 3.93Å; I46-F55 HydrophobicContact CD1-CE2 4.16Å; I46-F55 HydrophobicContact CG1-CD2 4.18Å; T47-F55 CarbonylContact O-C 3.57Å; T47-F55 VanDerWaalsContact O-CA 3.3Å; T47-F55 WeakPolarHBondContact O-CA 3.34Å; T47-F55 WeakPolarHBondContact O-CB 3.45Å; W48-F55 HydrophobicContact CE3-CB 3.83Å; W48-F55 HydrophobicContact CZ3-CB 4.09Å; W48-F55 HydrophobicContact CZ3-CD1 4.37Å; F55-L57 HydrophobicContact CD2-CD2 4.24Å; F55-L57 HydrophobicContact CE2-CD2 3.98Å; F55-I94 HydrophobicContact CE1-CG2 4.37Å; F55-I94 HydrophobicContact CZ-CD1 4.35Å; F55-I94 HydrophobicContact CZ-CG2 4.39Å; F55-A103 WeakPolarHBondContact O-CA 3.35Å; F55-Y104 WeakPolarHBondContact CD1-O 3.48Å; F55-Y104 HydrophobicContact CE2-CD2 4.24Å; F55-Y104 HydrophobicContact CE2-CG 4.46Å; F55-Y104 VanDerWaalsContact CZ-CB 3.42Å; F55-Y104 HydrophobicContact CZ-CD2 4.4Å; F55-Y104 HydrophobicContact CZ-CG 4.17Å; F55-Y104 PolarHBondContact N-O 3.38Å; F55-Y104 PolarHBondContact O-N 3.39Å; F55-Y104 VanDerWaalsContact O-O 3.05Å; F55-F106 AromaticContact CD1-CD2 3.49Å; F55-F106 HydrophobicContact CD1-CD2 3.49Å; F55-F106 VanDerWaalsContact CD1-CD2 3.49Å; F55-F106 AromaticContact CD1-CE2 3.41Å; F55-F106 HydrophobicContact CD1-CE2 3.41Å; F55-F106 VanDerWaalsContact CD1-CE2 3.41Å; F55-F106 AromaticContact CE1-CD2 3.36Å; F55-F106 HydrophobicContact CE1-CD2 3.36Å; F55-F106 AromaticContact CE1-CE2 3.08Å; F55-F106 HydrophobicContact CE1-CE2 3.08Å; F55-F106 HydrophobicContact CE1-CG 4.3Å; F55-F106 AromaticContact CE1-CZ 3.89Å; F55-F106 HydrophobicContact CE1-CZ 3.89Å; F55-F106 HydrophobicContact CE2-CE2 4.48Å; F55-F106 HydrophobicContact CG-CE2 4.24Å; F55-F106 HydrophobicContact CZ-CD2 4.36Å; F55-F106 AromaticContact CZ-CE2 3.68Å; F55-F106 HydrophobicContact CZ-CE2 3.68Å; F55-F106 HydrophobicContact CZ-CZ 4.13Å
56K96.8Very high94.8Very high72 Ų7247.6 Ų47.631%0.31325%0.249SC..EExtended strand (participates in β ladder)trans-130.1138.1177.9-179.6177.8173-170.40110.4I46 T47 E49 V58I46-K56 WeakPolarHBondContact CA-O 3.38Å; T47-K56 PolarHBondContact N-O 3.41Å; T47-K56 PolarHBondContact O-N 3.18Å; E49-K56 HydrophobicContact CB-CB 4.37Å; E49-K56 WeakPolarHBondContact OE2-CD 3.49Å; E49-K56 IonicContact OE2-NZ 2.86Å; K56-V58 PolarHBondContact O-N 2.78Å
57L98Very high94.7Very high0 Ų048.6 Ų48.60%025%0.253CS..EExtended strand (participates in β ladder)trans-80.7107.3165.1-43.3179.4000107.4L33 C45 I46 F55 P60 V63 Y78 Y102 Y104L33-L57 HydrophobicContact CD2-CD2 4.34Å; C45-L57 CarbonylContact O-C 3.56Å; I46-L57 HydrophobicContact CB-CD2 4.36Å; I46-L57 HydrophobicContact CD1-CD2 3.5Å; I46-L57 VanDerWaalsContact CD1-CD2 3.5Å; I46-L57 HydrophobicContact CG1-CD2 3.79Å; F55-L57 HydrophobicContact CD2-CD2 4.24Å; F55-L57 HydrophobicContact CE2-CD2 3.98Å; L57-P60 HydrophobicContact CB-CB 4.21Å; L57-P60 HydrophobicContact CD1-CB 4.31Å; L57-V63 HydrophobicContact CD2-CG1 4.21Å; L57-V63 HydrophobicContact CD2-CG2 4.26Å; L57-Y78 HydrophobicContact CD1-CD2 4.15Å; L57-Y78 HydrophobicContact CD1-CE2 3.65Å; L57-Y102 PolarHBondContact N-O 3.36Å; L57-Y102 WeakPolarHBondContact O-CB 3.3Å; L57-Y104 HydrophobicContact CD1-CE2 4.15Å; L57-Y104 HydrophobicContact CG-CD2 4.5Å; L57-Y104 HydrophobicContact CG-CE2 4.37Å
58V97.8Very high94.7Very high76 Ų7647.2 Ų47.246%0.46125%0.245SC..SBendtrans-71.9-46.2177.9-179.80000109.3E44 C45 T47 K56E44-V58 WeakPolarHBondContact O-CB 3.46Å; E44-V58 VanDerWaalsContact O-CG1 3.26Å; E44-V58 WeakPolarHBondContact O-CG1 3.44Å; C45-V58 PolarHBondContact O-N 3.48Å; T47-V58 HydrophobicContact CG2-CG2 3.72Å; K56-V58 PolarHBondContact O-N 2.78Å
59D98.1Very high94.7Very high67 Ų6750 Ų5036%0.35826%0.261SS..SBendtrans-120.591.5171.3-172.3-19.4000109.2C45 D61 E62 V63C45-D59 HydrophobicContact CB-CB 4.08Å; C45-D59 PolarHBondContact O-N 3.25Å; D59-D61 PolarHBondContact O-N 3.07Å; D59-D61 PolarHBondContact OD1-N 2.95Å; D59-D61 VanDerWaalsContact OD1-N 3.1Å; D59-E62 HydrophobicContact CB-CB 4.02Å; D59-E62 PolarHBondContact O-N 3.44Å; D59-E62 PolarHBondContact OD1-N 3.01Å; D59-V63 WeakPolarHBondContact O-CG2 3.34Å; D59-V63 PolarHBondContact O-N 2.83Å
60P98.1Very high94.8Very high13 Ų1350.5 Ų50.58%0.08426%0.26CS..Hα-helixtrans-64.5-26.3-178.525.6-33.3000113.3L57 A64 Y78 Y102L57-P60 HydrophobicContact CB-CB 4.21Å; L57-P60 HydrophobicContact CD1-CB 4.31Å; P60-A64 WeakPolarHBondContact O-CB 3.27Å; P60-A64 PolarHBondContact O-N 2.76Å; P60-A64 VanDerWaalsContact O-N 3.07Å; P60-Y78 HydrophobicContact CB-CD1 4.35Å; P60-Y78 HydrophobicContact CB-CD2 3.47Å; P60-Y78 VanDerWaalsContact CB-CD2 3.47Å; P60-Y78 HydrophobicContact CB-CE2 3.9Å; P60-Y78 HydrophobicContact CB-CG 3.72Å; P60-Y102 HydrophobicContact CB-CD1 4.17Å; P60-Y102 HydrophobicContact CB-CE1 4.33Å; P60-Y102 HydrophobicContact CG-CD1 4.1Å; P60-Y102 HydrophobicContact CG-CD2 4.45Å; P60-Y102 HydrophobicContact CG-CE1 3.97Å; P60-Y102 HydrophobicContact CG-CE2 4.34Å; P60-Y102 HydrophobicContact CG-CG 4.34Å
61D98.2Very high95Very high107 Ų10750.9 Ų50.957%0.57225%0.246SC*.Hα-helixtrans-76.1-41.9-179.4-69.4-41.5000110.6D59 A64 R65D59-D61 PolarHBondContact O-N 3.07Å; D59-D61 PolarHBondContact OD1-N 2.95Å; D59-D61 VanDerWaalsContact OD1-N 3.1Å; D61-A64 PolarHBondContact O-N 2.75Å; D61-R65 WeakPolarHBondContact O-CB 3.33Å; D61-R65 PolarHBondContact O-N 3.37Å
62E98.2Very high95.2Very high42 Ų4252.4 Ų52.420%0.19626%0.258CS..Hα-helixtrans-64.2-40.9173.8176.657.3-167.900112C45 D59 A64 R65 R66C45-E62 HydrophobicContact CB-CB 4.01Å; C45-E62 HydrophobicContact CB-CG 3.75Å; D59-E62 HydrophobicContact CB-CB 4.02Å; D59-E62 PolarHBondContact O-N 3.44Å; D59-E62 PolarHBondContact OD1-N 3.01Å; E62-A64 VanDerWaalsContact C-N 3.32Å; E62-A64 PolarHBondContact O-N 2.76Å; E62-R65 PolarHBondContact O-N 2.98Å; E62-R65 IonicContact OE1-CZ 3.78Å; E62-R65 IonicContact OE1-NE 2.75Å; E62-R65 IonicContact OE1-NH2 3.86Å; E62-R65 PolarHBondContact OE1-NH2 3.33Å; E62-R65 IonicContact OE2-CZ 3.63Å; E62-R65 IonicContact OE2-NE 2.76Å; E62-R65 PolarHBondContact OE2-NE 3.37Å; E62-R65 IonicContact OE2-NH2 3.61Å; E62-R65 PolarHBondContact OE2-NH2 3.03Å; E62-R66 WeakPolarHBondContact O-CG 3.46Å; E62-R66 PolarHBondContact O-N 3.41Å; E62-R66 IonicContact OE1-CZ 3.48Å; E62-R66 IonicContact OE1-NE 3.63Å; E62-R66 PolarHBondContact OE1-NE 3.29Å; E62-R66 IonicContact OE1-NH2 2.8Å; E62-R66 PolarHBondContact OE1-NH2 2.87Å
63V98.2Very high95.6Very high0 Ų054 Ų540%026%0.261CS..Hα-helixtrans-60.6-43.7174.51740000110.7F32 L33 L36 C45 I46 L57 D59 W67 L81F32-V63 HydrophobicContact CE1-CG1 4.47Å; L33-V63 HydrophobicContact CD2-CG1 3.75Å; L36-V63 HydrophobicContact CD1-CG1 4.3Å; C45-V63 HydrophobicContact CB-CG2 4.06Å; C45-V63 WeakPolarHBondContact O-CG2 3.42Å; I46-V63 HydrophobicContact CB-CG2 3.98Å; I46-V63 HydrophobicContact CG2-CG2 4.42Å; L57-V63 HydrophobicContact CD2-CG1 4.21Å; L57-V63 HydrophobicContact CD2-CG2 4.26Å; D59-V63 WeakPolarHBondContact O-CG2 3.34Å; D59-V63 PolarHBondContact O-N 2.83Å; V63-W67 WeakPolarHBondContact O-CB 3.07Å; V63-W67 PolarHBondContact O-N 3.44Å; V63-L81 HydrophobicContact CG1-CD1 4.11Å
64A98.3Very high95.7Very high1 Ų159.5 Ų59.51%0.00830%0.296CS..Hα-helixtrans-67-38177.500000112.7P60 D61 E62 W67 G68 M76 L81P60-A64 WeakPolarHBondContact O-CB 3.27Å; P60-A64 PolarHBondContact O-N 2.76Å; P60-A64 VanDerWaalsContact O-N 3.07Å; D61-A64 PolarHBondContact O-N 2.75Å; E62-A64 VanDerWaalsContact C-N 3.32Å; E62-A64 PolarHBondContact O-N 2.76Å; A64-W67 PolarHBondContact O-N 3.48Å; A64-G68 PolarHBondContact O-N 2.95Å; A64-M76 WeakPolarHBondContact O-CG 3.37Å; A64-L81 HydrophobicContact CB-CB 4.46Å; A64-L81 HydrophobicContact CB-CD1 4.07Å
65R97.9Very high95.8Very high113 Ų11364.1 Ų64.143%0.42632%0.322SS..Hα-helixtrans-61.4-49.8175.1-170.1-160.265.369.90.4110.9D61 E62 W67 G68 E69D61-R65 WeakPolarHBondContact O-CB 3.33Å; D61-R65 PolarHBondContact O-N 3.37Å; E62-R65 PolarHBondContact O-N 2.98Å; E62-R65 IonicContact OE1-CZ 3.78Å; E62-R65 IonicContact OE1-NE 2.75Å; E62-R65 IonicContact OE1-NH2 3.86Å; E62-R65 PolarHBondContact OE1-NH2 3.33Å; E62-R65 IonicContact OE2-CZ 3.63Å; E62-R65 IonicContact OE2-NE 2.76Å; E62-R65 PolarHBondContact OE2-NE 3.37Å; E62-R65 IonicContact OE2-NH2 3.61Å; E62-R65 PolarHBondContact OE2-NH2 3.03Å; R65-W67 VanDerWaalsContact C-N 3.33Å; R65-W67 PolarHBondContact O-N 3.45Å; R65-G68 CarbonylContact O-C 3.56Å; R65-G68 WeakPolarHBondContact O-CA 3.39Å; R65-G68 PolarHBondContact O-N 3.26Å; R65-G68 VanDerWaalsContact O-N 3.12Å; R65-E69 IonicContact CZ-OE2 3.53Å; R65-E69 IonicContact NH1-OE2 2.76Å; R65-E69 PolarHBondContact NH1-OE2 2.92Å; R65-E69 IonicContact NH2-OE2 3.44Å; R65-E69 PolarHBondContact O-N 3.13Å
66R97Very high95.9Very high74 Ų7466 Ų6628%0.27933%0.331SS..Hα-helixtrans-62.8-38.2177.4-70.5-173.5-175.5-164.25.3112.4F32 N42 E62 G68 E69 R70F32-R66 HydrophobicContact CE2-CB 4.45Å; F32-R66 HydrophobicContact CZ-CB 3.77Å; N42-R66 PolarHBondContact OD1-NH1 2.84Å; E62-R66 WeakPolarHBondContact O-CG 3.46Å; E62-R66 PolarHBondContact O-N 3.41Å; E62-R66 IonicContact OE1-CZ 3.48Å; E62-R66 IonicContact OE1-NE 3.63Å; E62-R66 PolarHBondContact OE1-NE 3.29Å; E62-R66 IonicContact OE1-NH2 2.8Å; E62-R66 PolarHBondContact OE1-NH2 2.87Å; R66-G68 VanDerWaalsContact C-N 3.35Å; R66-E69 PolarHBondContact O-N 3.32Å; R66-R70 WeakPolarHBondContact O-CB 3.34Å; R66-R70 PolarHBondContact O-N 3.49Å
67W95.9Very high95.9Very high22 Ų2265.7 Ų65.78%0.08333%0.333CS..Hα-helixtrans-63.2-42.7172.4174.9-126000111.9I27 L29 F32 V63 A64 R65 R70 K71 M76 L81I27-W67 HydrophobicContact CG2-CZ3 4.11Å; L29-W67 HydrophobicContact CB-CH2 4.12Å; L29-W67 HydrophobicContact CB-CZ2 3.93Å; L29-W67 HydrophobicContact CD1-CD2 3.86Å; L29-W67 HydrophobicContact CD1-CE3 4.27Å; L29-W67 HydrophobicContact CD1-CG 4.03Å; L29-W67 HydrophobicContact CD1-CZ2 4.46Å; F32-W67 HydrophobicContact CB-CE3 3.85Å; F32-W67 HydrophobicContact CB-CZ3 3.74Å; F32-W67 HydrophobicContact CD1-CB 4.14Å; F32-W67 HydrophobicContact CD1-CD2 4.26Å; F32-W67 AromaticContact CD1-CE3 3.62Å; F32-W67 HydrophobicContact CD1-CE3 3.62Å; F32-W67 HydrophobicContact CD1-CG 4.49Å; F32-W67 HydrophobicContact CD1-CZ3 4.37Å; F32-W67 HydrophobicContact CD2-CE3 4.15Å; F32-W67 HydrophobicContact CE1-CB 3.61Å; F32-W67 HydrophobicContact CE1-CE3 4.19Å; F32-W67 HydrophobicContact CE1-CG 4.42Å; F32-W67 AromaticContact CG-CE3 3.58Å; F32-W67 HydrophobicContact CG-CE3 3.58Å; F32-W67 HydrophobicContact CG-CZ3 4Å; F32-W67 HydrophobicContact CZ-CB 4.07Å; V63-W67 WeakPolarHBondContact O-CB 3.07Å; V63-W67 PolarHBondContact O-N 3.44Å; A64-W67 PolarHBondContact O-N 3.48Å; R65-W67 VanDerWaalsContact C-N 3.33Å; R65-W67 PolarHBondContact O-N 3.45Å; W67-R70 HydrophobicContact CE3-CB 4.44Å; W67-R70 PolarHBondContact O-N 3.36Å; W67-K71 HydrophobicContact CD2-CG 3.92Å; W67-K71 HydrophobicContact CE3-CD 4.45Å; W67-K71 HydrophobicContact CE3-CG 3.82Å; W67-K71 HydrophobicContact CH2-CD 3.43Å; W67-K71 VanDerWaalsContact CH2-CD 3.43Å; W67-K71 HydrophobicContact CH2-CG 3.42Å; W67-K71 VanDerWaalsContact CH2-CG 3.42Å; W67-K71 HydrophobicContact CZ2-CD 3.93Å; W67-K71 HydrophobicContact CZ2-CG 3.5Å; W67-K71 VanDerWaalsContact CZ2-CG 3.5Å; W67-K71 HydrophobicContact CZ3-CD 3.74Å; W67-K71 HydrophobicContact CZ3-CG 3.58Å; W67-K71 PolarHBondContact O-N 2.8Å; W67-M76 VanDerWaalsContact CD1-SD 3.6Å; W67-M76 HydrophobicContact CG-CG 4.45Å; W67-L81 HydrophobicContact CB-CD1 4.04Å; W67-L81 HydrophobicContact CG-CD1 4.23Å
68G95.5Very high95.9Very high4 Ų467.6 Ų67.64%0.04134%0.34CS..Hα-helixtrans-58-47.8173.900000112.2A64 R65 R66 K71 C72 K73 M76A64-G68 PolarHBondContact O-N 2.95Å; R65-G68 CarbonylContact O-C 3.56Å; R65-G68 WeakPolarHBondContact O-CA 3.39Å; R65-G68 PolarHBondContact O-N 3.26Å; R65-G68 VanDerWaalsContact O-N 3.12Å; R66-G68 VanDerWaalsContact C-N 3.35Å; G68-K71 CarbonylContact O-C 3.59Å; G68-K71 PolarHBondContact O-N 3.01Å; G68-C72 CarbonylContact O-C 3.44Å; G68-C72 WeakPolarHBondContact O-CA 3.36Å; G68-C72 PolarHBondContact O-N 2.72Å; G68-K73 WeakPolarHBondContact CA-O 3.41Å; G68-K73 PolarHBondContact O-N 3.19Å; G68-M76 VanDerWaalsContact CA-CB 3.43Å
69E94.6Very high95.9Very high130 Ų13069.1 Ų69.161%0.60735%0.346SS*.Hα-helixtrans-58.5-48.1175.2-177.9166.4-151.100111.4R65 R66 K71 C72R65-E69 IonicContact CZ-OE2 3.53Å; R65-E69 IonicContact NH1-OE2 2.76Å; R65-E69 PolarHBondContact NH1-OE2 2.92Å; R65-E69 IonicContact NH2-OE2 3.44Å; R65-E69 PolarHBondContact O-N 3.13Å; R66-E69 PolarHBondContact O-N 3.32Å; E69-K71 VanDerWaalsContact C-N 3.27Å; E69-K71 PolarHBondContact O-N 2.92Å; E69-C72 PolarHBondContact O-N 2.73Å
70R92.3Very high95.9Very high78 Ų7870.8 Ų70.829%0.29435%0.35SS..Hα-helixtrans-59.6-34.8178.7-174.660.662.281.41.7113.5I27 F32 E35 R66 W67I27-R70 HydrophobicContact CG2-CG 3.59Å; F32-R70 HydrophobicContact CD2-CB 4.42Å; F32-R70 HydrophobicContact CD2-CG 4.26Å; F32-R70 HydrophobicContact CE2-CB 4.3Å; E35-R70 VanDerWaalsContact CD-NH1 3.3Å; E35-R70 IonicContact OE1-CZ 2.72Å; E35-R70 VanDerWaalsContact OE1-CZ 3.32Å; E35-R70 IonicContact OE1-NH1 3.32Å; E35-R70 PolarHBondContact OE1-NH1 3.32Å; E35-R70 IonicContact OE1-NH2 2.83Å; E35-R70 PolarHBondContact OE1-NH2 3.04Å; E35-R70 IonicContact OE2-CZ 3.95Å; E35-R70 IonicContact OE2-NH1 3.83Å; E35-R70 PolarHBondContact OE2-NH1 3.37Å; E35-R70 IonicContact OE2-NH2 3.01Å; R66-R70 WeakPolarHBondContact O-CB 3.34Å; R66-R70 PolarHBondContact O-N 3.49Å; W67-R70 HydrophobicContact CE3-CB 4.44Å; W67-R70 PolarHBondContact O-N 3.36Å
71K89.8Confident95.9Very high65 Ų6570.2 Ų70.228%0.28335%0.346SS..THydrogen-bonded Turntrans-101.15.6-178.4-60.7-65.4-73.9-168.80113.9G25 I27 W67 G68 E69 K73G25-K71 PolarHBondContact O-NZ 3.48Å; I27-K71 HydrophobicContact CG2-CD 4.35Å; I27-K71 PolarHBondContact O-NZ 3.16Å; W67-K71 HydrophobicContact CD2-CG 3.92Å; W67-K71 HydrophobicContact CE3-CD 4.45Å; W67-K71 HydrophobicContact CE3-CG 3.82Å; W67-K71 HydrophobicContact CH2-CD 3.43Å; W67-K71 VanDerWaalsContact CH2-CD 3.43Å; W67-K71 HydrophobicContact CH2-CG 3.42Å; W67-K71 VanDerWaalsContact CH2-CG 3.42Å; W67-K71 HydrophobicContact CZ2-CD 3.93Å; W67-K71 HydrophobicContact CZ2-CG 3.5Å; W67-K71 VanDerWaalsContact CZ2-CG 3.5Å; W67-K71 HydrophobicContact CZ3-CD 3.74Å; W67-K71 HydrophobicContact CZ3-CG 3.58Å; W67-K71 PolarHBondContact O-N 2.8Å; G68-K71 CarbonylContact O-C 3.59Å; G68-K71 PolarHBondContact O-N 3.01Å; E69-K71 VanDerWaalsContact C-N 3.27Å; E69-K71 PolarHBondContact O-N 2.92Å; K71-K73 VanDerWaalsContact C-N 3.31Å; K71-K73 HydrophobicContact CB-CG 4Å; K71-K73 PolarHBondContact O-N 3.18Å
72C91.7Very high95.9Very high110 Ų11066 Ų6674%0.74333%0.325SS*.THydrogen-bonded Turntrans51.247.1-171.6-58.20000112.8G68 E69G68-C72 CarbonylContact O-C 3.44Å; G68-C72 WeakPolarHBondContact O-CA 3.36Å; G68-C72 PolarHBondContact O-N 2.72Å; E69-C72 PolarHBondContact O-N 2.73Å
73K91.8Very high95.8Very high123 Ų12368.2 Ų68.254%0.53533%0.331SS..  trans-117.488.4178-63.8-62.3-178.5-179.20109.8G68 K71 N75 M76G68-K73 WeakPolarHBondContact CA-O 3.41Å; G68-K73 PolarHBondContact O-N 3.19Å; K71-K73 VanDerWaalsContact C-N 3.31Å; K71-K73 HydrophobicContact CB-CG 4Å; K71-K73 PolarHBondContact O-N 3.18Å; K73-N75 PolarHBondContact O-N 2.81Å; K73-M76 HydrophobicContact CB-CB 4.24Å; K73-M76 HydrophobicContact CB-CE 4.12Å; K73-M76 HydrophobicContact CG-CE 4.39Å; K73-M76 WeakPolarHBondContact O-CB 3.24Å; K73-M76 PolarHBondContact O-N 3.31Å
74P91.9Very high95.7Very high121 Ų12169.6 Ų69.679%0.78634%0.343SS*.THydrogen-bonded Turntrans-65.1-26.6-174.725.4-34.8000113.5M76P74-M76 PolarHBondContact O-N 2.75Å
75N95.9Very high95.6Very high127 Ų12769.6 Ų69.668%0.67934%0.343SS*.THydrogen-bonded Turntrans-89.620.3177.1-61.5-28.4000112.7K73 K80K73-N75 PolarHBondContact O-N 2.81Å; N75-K80 PolarHBondContact O-NZ 2.82Å
76M97Very high95.6Very high41 Ų4169.7 Ų69.720%0.20234%0.343CS..  trans-73137.3174-173.55967.700109.8A64 W67 G68 K73 P74 K80A64-M76 WeakPolarHBondContact O-CG 3.37Å; W67-M76 VanDerWaalsContact CD1-SD 3.6Å; W67-M76 HydrophobicContact CG-CG 4.45Å; G68-M76 VanDerWaalsContact CA-CB 3.43Å; K73-M76 HydrophobicContact CB-CB 4.24Å; K73-M76 HydrophobicContact CB-CE 4.12Å; K73-M76 HydrophobicContact CG-CE 4.39Å; K73-M76 WeakPolarHBondContact O-CB 3.24Å; K73-M76 PolarHBondContact O-N 3.31Å; P74-M76 PolarHBondContact O-N 2.75Å; M76-K80 HydrophobicContact SD-CB 3.99Å
77N98.1Very high95.5Very high65 Ų6572.6 Ų72.635%0.34836%0.355SS..  trans-149.2172.2178.161.622.1000109.4D79 K80 L81N77-D79 VanDerWaalsContact C-N 3.29Å; N77-D79 PolarHBondContact O-N 3.38Å; N77-D79 PolarHBondContact OD1-N 3.46Å; N77-K80 PolarHBondContact O-N 3Å; N77-K80 WeakPolarHBondContact OD1-CG 3.21Å; N77-K80 PolarHBondContact OD1-N 3.38Å; N77-L81 PolarHBondContact O-N 3.46Å
78Y98.4Very high95.4Very high41 Ų4172.7 Ų72.716%0.16136%0.356CS..Hα-helixtrans-63.6-33.1-177.1176-105.5000113L57 P60 K80 L81 S82 Y102 Y104L57-Y78 HydrophobicContact CD1-CD2 4.15Å; L57-Y78 HydrophobicContact CD1-CE2 3.65Å; P60-Y78 HydrophobicContact CB-CD1 4.35Å; P60-Y78 HydrophobicContact CB-CD2 3.47Å; P60-Y78 VanDerWaalsContact CB-CD2 3.47Å; P60-Y78 HydrophobicContact CB-CE2 3.9Å; P60-Y78 HydrophobicContact CB-CG 3.72Å; Y78-K80 PolarHBondContact O-N 3.14Å; Y78-L81 HydrophobicContact CD2-CD2 4.42Å; Y78-L81 PolarHBondContact O-N 3.07Å; Y78-S82 WeakPolarHBondContact O-CB 3.43Å; Y78-S82 PolarHBondContact O-N 3.5Å; Y78-S82 PolarHBondContact O-OG 2.79Å; Y78-Y102 HydrophobicContact CD1-CE1 4.19Å; Y78-Y102 AromaticContact CE1-CD1 3.89Å; Y78-Y102 HydrophobicContact CE1-CD1 3.89Å; Y78-Y102 AromaticContact CE1-CE1 3.54Å; Y78-Y102 HydrophobicContact CE1-CE1 3.54Å; Y78-Y102 HydrophobicContact CE2-CD1 4.21Å; Y78-Y102 AromaticContact CZ-CD1 3.57Å; Y78-Y102 AromaticContact CZ-CE1 3.76Å; Y78-Y102 WeakPolarHBondContact OH-CD1 3.28Å; Y78-Y104 PolarHBondContact OH-OH 3.4Å
79D97.8Very high95.3Very high108 Ų10875.6 Ų75.658%0.57837%0.366SS*.Hα-helixtrans-56.3-50.2176.317766.1000111.6N77 S82 R83N77-D79 VanDerWaalsContact C-N 3.29Å; N77-D79 PolarHBondContact O-N 3.38Å; N77-D79 PolarHBondContact OD1-N 3.46Å; D79-S82 PolarHBondContact O-N 3.32Å; D79-S82 PolarHBondContact O-OG 3.35Å; D79-R83 PolarHBondContact O-N 2.92Å
80K97.6Very high95.1Very high102 Ų10276.5 Ų76.544%0.44338%0.375SS..Hα-helixtrans-67.8-40.8177.3-66.5170-171.9173.20112.6N75 M76 N77 Y78 S82 R83 A84N75-K80 PolarHBondContact O-NZ 2.82Å; M76-K80 HydrophobicContact SD-CB 3.99Å; N77-K80 PolarHBondContact O-N 3Å; N77-K80 WeakPolarHBondContact OD1-CG 3.21Å; N77-K80 PolarHBondContact OD1-N 3.38Å; Y78-K80 PolarHBondContact O-N 3.14Å; K80-S82 VanDerWaalsContact C-N 3.34Å; K80-R83 WeakPolarHBondContact O-CB 3.37Å; K80-R83 PolarHBondContact O-N 3.25Å; K80-A84 PolarHBondContact O-N 2.82Å
81L98Very high94.8Very high1 Ų178 Ų781%0.00538%0.383CS..Hα-helixtrans-63-44.1177-174154.5000110.7L29 V63 A64 W67 N77 Y78 R83 A84 L85L29-L81 HydrophobicContact CD1-CD1 4.02Å; L29-L81 HydrophobicContact CD1-CG 4.02Å; L29-L81 HydrophobicContact CD2-CD2 4.3Å; L29-L81 HydrophobicContact CD2-CG 4.06Å; V63-L81 HydrophobicContact CG1-CD1 4.11Å; A64-L81 HydrophobicContact CB-CB 4.46Å; A64-L81 HydrophobicContact CB-CD1 4.07Å; W67-L81 HydrophobicContact CB-CD1 4.04Å; W67-L81 HydrophobicContact CG-CD1 4.23Å; N77-L81 PolarHBondContact O-N 3.46Å; Y78-L81 HydrophobicContact CD2-CD2 4.42Å; Y78-L81 PolarHBondContact O-N 3.07Å; L81-R83 PolarHBondContact O-N 2.86Å; L81-A84 WeakPolarHBondContact O-CA 3.32Å; L81-A84 WeakPolarHBondContact O-CB 3.39Å; L81-A84 PolarHBondContact O-N 2.82Å; L81-L85 HydrophobicContact CD2-CD1 3.61Å; L81-L85 HydrophobicContact CD2-CG 3.96Å; L81-L85 PolarHBondContact O-N 2.91Å
82S97.7Very high94.7Very high17 Ų1778.5 Ų78.512%0.11939%0.389CS..Hα-helixtrans-64.5-31177.481.10000111.7Y78 D79 K80 A84 L85 R86Y78-S82 WeakPolarHBondContact O-CB 3.43Å; Y78-S82 PolarHBondContact O-N 3.5Å; Y78-S82 PolarHBondContact O-OG 2.79Å; D79-S82 PolarHBondContact O-N 3.32Å; D79-S82 PolarHBondContact O-OG 3.35Å; K80-S82 VanDerWaalsContact C-N 3.34Å; S82-A84 VanDerWaalsContact C-N 3.33Å; S82-L85 PolarHBondContact O-N 3.36Å; S82-R86 WeakPolarHBondContact O-CG 3.42Å; S82-R86 PolarHBondContact O-N 3.44Å
83R97.3Very high94.7Very high89 Ų8973.6 Ų73.634%0.33636%0.356SS..Hα-helixtrans-62.5-41.3171-175.466.3-167.695-16.1111.7D79 K80 L81 R86 Y87D79-R83 PolarHBondContact O-N 2.92Å; K80-R83 WeakPolarHBondContact O-CB 3.37Å; K80-R83 PolarHBondContact O-N 3.25Å; L81-R83 PolarHBondContact O-N 2.86Å; R83-R86 VanDerWaalsContact CD-NH2 3.26Å; R83-R86 PolarHBondContact O-N 3.18Å; R83-Y87 HydrophobicContact CG-CE2 3.89Å; R83-Y87 PolarHBondContact NE-OH 3.36Å; R83-Y87 PolarHBondContact NH2-OH 2.86Å; R83-Y87 WeakPolarHBondContact O-CD2 3.39Å; R83-Y87 PolarHBondContact O-N 2.97Å
84A95.1Very high94.8Very high30 Ų3067.8 Ų67.825%0.24833%0.33CS..Hα-helixtrans-66-42.417500000112.1L29 K80 L81 S82 R86 Y87L29-A84 HydrophobicContact CD2-CB 3.56Å; K80-A84 PolarHBondContact O-N 2.82Å; L81-A84 WeakPolarHBondContact O-CA 3.32Å; L81-A84 WeakPolarHBondContact O-CB 3.39Å; L81-A84 PolarHBondContact O-N 2.82Å; S82-A84 VanDerWaalsContact C-N 3.33Å; A84-R86 VanDerWaalsContact C-N 3.3Å; A84-R86 PolarHBondContact O-N 2.78Å; A84-Y87 WeakPolarHBondContact O-CB 3.44Å; A84-Y87 PolarHBondContact O-N 3.23Å; A84-Y87 VanDerWaalsContact O-N 3.15Å
85L97.1Very high94.9Very high0 Ų064.3 Ų64.30%031%0.307CS..Hα-helixtrans-59.2-39.8174.6-73.2177.2000112.7L29 L33 L81 S82 Y87 Y88 Y89 I94 Y104L29-L85 HydrophobicContact CD2-CD2 4.11Å; L29-L85 HydrophobicContact CD2-CG 4.14Å; L33-L85 HydrophobicContact CD1-CD2 3.7Å; L81-L85 HydrophobicContact CD2-CD1 3.61Å; L81-L85 HydrophobicContact CD2-CG 3.96Å; L81-L85 PolarHBondContact O-N 2.91Å; S82-L85 PolarHBondContact O-N 3.36Å; L85-Y87 VanDerWaalsContact C-N 3.28Å; L85-Y87 PolarHBondContact O-N 3.43Å; L85-Y88 HydrophobicContact CD2-CD2 4.15Å; L85-Y88 WeakPolarHBondContact O-CB 3.45Å; L85-Y88 PolarHBondContact O-N 3.27Å; L85-Y89 WeakPolarHBondContact O-CD1 3.27Å; L85-Y89 VanDerWaalsContact O-CE1 3.24Å; L85-Y89 WeakPolarHBondContact O-CE1 3.3Å; L85-I94 HydrophobicContact CD2-CD1 3.79Å; L85-I94 HydrophobicContact CD2-CG2 4.44Å; L85-Y104 HydrophobicContact CB-CE1 4.3Å; L85-Y104 HydrophobicContact CD1-CD1 4.28Å; L85-Y104 HydrophobicContact CD1-CD2 4.27Å; L85-Y104 HydrophobicContact CD1-CE1 3.83Å; L85-Y104 HydrophobicContact CD1-CE2 3.83Å; L85-Y104 HydrophobicContact CD1-CG 4.48Å
86R96.6Very high94.9Very high115 Ų11560.6 Ų60.643%0.43429%0.285SS..Hα-helixtrans-62.5-33.7176.8-75.4-175.2-75.5150.1-11.7113.2S82 R83 A84 Y88 Y89S82-R86 WeakPolarHBondContact O-CG 3.42Å; S82-R86 PolarHBondContact O-N 3.44Å; R83-R86 VanDerWaalsContact CD-NH2 3.26Å; R83-R86 PolarHBondContact O-N 3.18Å; A84-R86 VanDerWaalsContact C-N 3.3Å; A84-R86 PolarHBondContact O-N 2.78Å; R86-Y88 PolarHBondContact O-N 3.28Å; R86-Y89 HydrophobicContact CB-CE2 4.24Å; R86-Y89 HydrophobicContact CG-CE2 3.79Å; R86-Y89 PolarHBondContact O-N 3.2Å
87Y94.7Very high94.9Very high135 Ų13559.8 Ų59.853%0.52928%0.282SS..THydrogen-bonded Turntrans-68.1-11.3175-67.2-58.7000113.4R83 A84 L85R83-Y87 HydrophobicContact CG-CE2 3.89Å; R83-Y87 PolarHBondContact NE-OH 3.36Å; R83-Y87 PolarHBondContact NH2-OH 2.86Å; R83-Y87 WeakPolarHBondContact O-CD2 3.39Å; R83-Y87 PolarHBondContact O-N 2.97Å; A84-Y87 WeakPolarHBondContact O-CB 3.44Å; A84-Y87 PolarHBondContact O-N 3.23Å; A84-Y87 VanDerWaalsContact O-N 3.15Å; L85-Y87 VanDerWaalsContact C-N 3.28Å; L85-Y87 PolarHBondContact O-N 3.43Å
88Y93.7Very high94.7Very high25 Ų2564.6 Ų64.610%0.09830%0.302CS..THydrogen-bonded Turntrans-86.5-9.8176.5-68.6-38000114.3L29 W30 L85 R86 K91 N92 I93 I94L29-Y88 HydrophobicContact CB-CE2 4.09Å; L29-Y88 HydrophobicContact CD2-CE2 4.18Å; L29-Y88 HydrophobicContact CG-CE2 4.3Å; W30-Y88 HydrophobicContact CB-CE2 4.02Å; W30-Y88 AromaticContact CD1-CZ 3.91Å; L85-Y88 HydrophobicContact CD2-CD2 4.15Å; L85-Y88 WeakPolarHBondContact O-CB 3.45Å; L85-Y88 PolarHBondContact O-N 3.27Å; R86-Y88 PolarHBondContact O-N 3.28Å; Y88-K91 HydrophobicContact CD1-CD 4.39Å; Y88-K91 PolarHBondContact O-N 3.38Å; Y88-N92 PolarHBondContact O-N 3.3Å; Y88-I93 HydrophobicContact CD1-CB 4.28Å; Y88-I93 HydrophobicContact CD1-CD1 3.56Å; Y88-I93 HydrophobicContact CD1-CG1 4.43Å; Y88-I93 HydrophobicContact CE1-CD1 3.88Å; Y88-I93 HydrophobicContact CG-CB 4.27Å; Y88-I93 HydrophobicContact CG-CD1 4.39Å; Y88-I93 PolarHBondContact O-N 3.03Å; Y88-I94 CarbonylContact C-O 3.45Å; Y88-I94 HydrophobicContact CD2-CD1 4.02Å
89Y93.8Very high94.6Very high64 Ų6467 Ų6725%0.25134%0.339SS..THydrogen-bonded Turntrans-66.2-53.8-175.9-62.1-3.1000110.4L85 R86 K91 N92 I94 K96L85-Y89 WeakPolarHBondContact O-CD1 3.27Å; L85-Y89 VanDerWaalsContact O-CE1 3.24Å; L85-Y89 WeakPolarHBondContact O-CE1 3.3Å; R86-Y89 HydrophobicContact CB-CE2 4.24Å; R86-Y89 HydrophobicContact CG-CE2 3.79Å; R86-Y89 PolarHBondContact O-N 3.2Å; Y89-K91 PolarHBondContact O-N 3.41Å; Y89-N92 PolarHBondContact O-N 3.35Å; Y89-I94 WeakPolarHBondContact CD1-O 3.42Å; Y89-K96 HydrophobicContact CE1-CB 4.33Å; Y89-K96 HydrophobicContact CE2-CB 4.16Å
90D89.9Confident94.5Very high149 Ų14965.7 Ų65.780%0.79733%0.329SS*.THydrogen-bonded Turntrans-66.3-22.3178.7-54-23.9000112.6N92D90-N92 VanDerWaalsContact C-N 3.27Å; D90-N92 PolarHBondContact O-ND2 3.33Å
91K87.6Confident94.4Very high110 Ų11069.6 Ų69.648%0.47834%0.34SS..THydrogen-bonded Turntrans-84.5-2.4177.4-60.9-173.967.31790112.6Y88 Y89 I93 H111Y88-K91 HydrophobicContact CD1-CD 4.39Å; Y88-K91 PolarHBondContact O-N 3.38Å; Y89-K91 PolarHBondContact O-N 3.41Å; K91-I93 HydrophobicContact CB-CD1 3.85Å; K91-I93 HydrophobicContact CB-CG1 3.96Å; K91-I93 HydrophobicContact CD-CD1 4.15Å; K91-I93 PolarHBondContact O-N 3.37Å; K91-I93 VanDerWaalsContact O-N 3.12Å; K91-H111 PolarHBondContact O-CE1 3.36Å; K91-H111 PolarHBondContact O-NE2 3.12Å
92N88Confident94.4Very high76 Ų7672.6 Ų72.641%0.40635%0.352SS..THydrogen-bonded Turntrans52.233.8-176.4-49.5-79.2000112.5Y88 Y89 D90 D107 H111Y88-N92 PolarHBondContact O-N 3.3Å; Y89-N92 PolarHBondContact O-N 3.35Å; D90-N92 VanDerWaalsContact C-N 3.27Å; D90-N92 PolarHBondContact O-ND2 3.33Å; N92-D107 WeakPolarHBondContact O-CB 3.35Å; N92-H111 PolarHBondContact O-CD2 3.41Å; N92-H111 PolarHBondContact O-NE2 2.75Å
93I90Very high94.4Very high7 Ų772 Ų724%0.03635%0.348CS..SBendtrans-91.9-52.5177.7-63.2166.6000109.2W30 Y88 K91 F106 D107 H111 I114W30-I93 HydrophobicContact CB-CG2 3.82Å; W30-I93 HydrophobicContact CD2-CG2 4.27Å; W30-I93 HydrophobicContact CG-CG2 3.9Å; Y88-I93 HydrophobicContact CD1-CB 4.28Å; Y88-I93 HydrophobicContact CD1-CD1 3.56Å; Y88-I93 HydrophobicContact CD1-CG1 4.43Å; Y88-I93 HydrophobicContact CE1-CD1 3.88Å; Y88-I93 HydrophobicContact CG-CB 4.27Å; Y88-I93 HydrophobicContact CG-CD1 4.39Å; Y88-I93 PolarHBondContact O-N 3.03Å; K91-I93 HydrophobicContact CB-CD1 3.85Å; K91-I93 HydrophobicContact CB-CG1 3.96Å; K91-I93 HydrophobicContact CD-CD1 4.15Å; K91-I93 PolarHBondContact O-N 3.37Å; K91-I93 VanDerWaalsContact O-N 3.12Å; I93-F106 WeakPolarHBondContact O-CA 3.35Å; I93-D107 PolarHBondContact O-N 3.34Å; I93-H111 WeakPolarHBondContact CA-NE2 3.35Å; I93-H111 WeakPolarHBondContact CG1-CE1 3.28Å; I93-H111 WeakPolarHBondContact CG1-NE2 3.08Å; I93-H111 PolarHBondContact N-NE2 2.95Å; I93-I114 HydrophobicContact CG1-CD1 4.36Å
94I94.1Very high94.4Very high0 Ų068.1 Ų68.10%033%0.334CS..EExtended strand (participates in β ladder)trans-135.5140178-70.8160.5000106.8W30 L33 F55 L85 Y88 Y89 Y104 K105 F106W30-I94 HydrophobicContact CB-CD1 4.05Å; L33-I94 HydrophobicContact CD1-CD1 4.17Å; F55-I94 HydrophobicContact CE1-CG2 4.37Å; F55-I94 HydrophobicContact CZ-CD1 4.35Å; F55-I94 HydrophobicContact CZ-CG2 4.39Å; L85-I94 HydrophobicContact CD2-CD1 3.79Å; L85-I94 HydrophobicContact CD2-CG2 4.44Å; Y88-I94 CarbonylContact C-O 3.45Å; Y88-I94 HydrophobicContact CD2-CD1 4.02Å; Y89-I94 WeakPolarHBondContact CD1-O 3.42Å; I94-Y104 HydrophobicContact CG2-CD1 4.09Å; I94-Y104 HydrophobicContact CG2-CG 4.31Å; I94-K105 CarbonylContact C-O 3.55Å; I94-K105 WeakPolarHBondContact CA-O 3.18Å; I94-F106 HydrophobicContact CD1-CD1 4.12Å; I94-F106 HydrophobicContact CD1-CE1 3.48Å; I94-F106 VanDerWaalsContact CD1-CE1 3.48Å; I94-F106 HydrophobicContact CD1-CZ 3.7Å; I94-F106 HydrophobicContact CG1-CD1 3.51Å; I94-F106 HydrophobicContact CG1-CE1 3.43Å; I94-F106 VanDerWaalsContact CG1-CE1 3.43Å; I94-F106 HydrophobicContact CG1-CE2 4.5Å; I94-F106 HydrophobicContact CG1-CG 4.13Å; I94-F106 HydrophobicContact CG1-CZ 3.93Å
95T95Very high94.4Very high49 Ų4969.9 Ų69.930%0.30134%0.336SS..EExtended strand (participates in β ladder)trans-119.2159.3172.656.40000110.8Y104 K105T95-Y104 CarbonylContact O-C 3.57Å; T95-Y104 WeakPolarHBondContact O-CA 3.23Å; T95-K105 PolarHBondContact N-O 3.37Å; T95-K105 PolarHBondContact O-N 3.45Å; T95-K105 PolarHBondContact OG1-O 3.15Å
96K96.2Very high94.1Very high49 Ų4970.2 Ų70.221%0.21334%0.337CS..EExtended strand (participates in β ladder)trans-82.3130.2176.6-176.862.7-167.1156.60110.2Y89 H98 K100 A103 Y104Y89-K96 HydrophobicContact CE1-CB 4.33Å; Y89-K96 HydrophobicContact CE2-CB 4.16Å; K96-H98 PolarHBondContact O-CD2 3.41Å; K96-H98 PolarHBondContact O-N 3.03Å; K96-K100 PolarHBondContact NZ-O 3.04Å; K96-A103 WeakPolarHBondContact CD-O 3.09Å; K96-A103 WeakPolarHBondContact CE-O 3.15Å; K96-A103 PolarHBondContact NZ-O 3.34Å; K96-Y104 HydrophobicContact CD-CD1 3.95Å; K96-Y104 HydrophobicContact CD-CE1 3.58Å
97V96.1Very high93.7Very high23 Ų2366.9 Ų66.914%0.13933%0.328CS..  trans-81110.4166.3-178.50000108.1E54 K100 A103 K105E54-V97 HydrophobicContact CG-CG2 4.2Å; V97-K100 HydrophobicContact CG1-CB 4.24Å; V97-K100 HydrophobicContact CG1-CD 4.1Å; V97-K100 HydrophobicContact CG1-CG 4.31Å; V97-A103 HydrophobicContact CB-CB 3.88Å; V97-A103 HydrophobicContact CG1-CB 4.37Å; V97-A103 HydrophobicContact CG2-CB 4.39Å; V97-A103 PolarHBondContact N-O 3.23Å; V97-K105 HydrophobicContact CG2-CB 4.06Å
98H95Very high92.6Very high166 Ų16664.8 Ų64.877%0.76932%0.322SS*.THydrogen-bonded Turntrans-72.7150.8176.7-68.4-83.9000110.9K96 K100K96-H98 PolarHBondContact O-CD2 3.41Å; K96-H98 PolarHBondContact O-N 3.03Å; H98-K100 PolarHBondContact O-N 3.02Å
99G95.6Very high91.4Very high92 Ų9272.3 Ų72.395%0.94836%0.358SS*.THydrogen-bonded Turntrans80.6-12.9-175.300000115.2
100K95.1Very high89.6Confident81 Ų8171.1 Ų71.135%0.35237%0.365SS..SBendtrans-119.2127.5178.2-67.4-171.7-179.4-1700112.5E49 K96 V97 H98 A103E49-K100 IonicContact OE1-NZ 3.56Å; E49-K100 PolarHBondContact OE1-NZ 3.39Å; K96-K100 PolarHBondContact NZ-O 3.04Å; V97-K100 HydrophobicContact CG1-CB 4.24Å; V97-K100 HydrophobicContact CG1-CD 4.1Å; V97-K100 HydrophobicContact CG1-CG 4.31Å; H98-K100 PolarHBondContact O-N 3.02Å; K100-A103 HydrophobicContact CB-CB 3.5Å; K100-A103 VanDerWaalsContact CB-CB 3.5Å; K100-A103 HydrophobicContact CD-CB 4.15Å; K100-A103 HydrophobicContact CG-CB 4.49Å
101R96.7Very high88.2Confident183 Ų18365.4 Ų65.469%0.69133%0.333SS*.THydrogen-bonded Turntrans-67.5135.4173.5-68.7-173.566.4-171.7-0.2110A103R101-A103 PolarHBondContact O-N 3.03Å
102Y97.8Very high86.8Confident64 Ų6468.2 Ų68.225%0.25135%0.348SS..THydrogen-bonded Turntrans57.612.9176.6-47-62.9000116.6L57 P60 Y78 Y104L57-Y102 PolarHBondContact N-O 3.36Å; L57-Y102 WeakPolarHBondContact O-CB 3.3Å; P60-Y102 HydrophobicContact CB-CD1 4.17Å; P60-Y102 HydrophobicContact CB-CE1 4.33Å; P60-Y102 HydrophobicContact CG-CD1 4.1Å; P60-Y102 HydrophobicContact CG-CD2 4.45Å; P60-Y102 HydrophobicContact CG-CE1 3.97Å; P60-Y102 HydrophobicContact CG-CE2 4.34Å; P60-Y102 HydrophobicContact CG-CG 4.34Å; Y78-Y102 HydrophobicContact CD1-CE1 4.19Å; Y78-Y102 AromaticContact CE1-CD1 3.89Å; Y78-Y102 HydrophobicContact CE1-CD1 3.89Å; Y78-Y102 AromaticContact CE1-CE1 3.54Å; Y78-Y102 HydrophobicContact CE1-CE1 3.54Å; Y78-Y102 HydrophobicContact CE2-CD1 4.21Å; Y78-Y102 AromaticContact CZ-CD1 3.57Å; Y78-Y102 AromaticContact CZ-CE1 3.76Å; Y78-Y102 WeakPolarHBondContact OH-CD1 3.28Å; Y102-Y104 VanDerWaalsContact O-CD2 3.3Å; Y102-Y104 WeakPolarHBondContact O-CD2 3.34Å; Y102-Y104 WeakPolarHBondContact O-CE2 3.4Å
103A97.2Very high85.3Confident4 Ų470.3 Ų70.33%0.03336%0.355CS..EExtended strand (participates in β ladder)trans-94141.4176.500000112.4F55 K96 V97 K100 R101F55-A103 WeakPolarHBondContact O-CA 3.35Å; K96-A103 WeakPolarHBondContact CD-O 3.09Å; K96-A103 WeakPolarHBondContact CE-O 3.15Å; K96-A103 PolarHBondContact NZ-O 3.34Å; V97-A103 HydrophobicContact CB-CB 3.88Å; V97-A103 HydrophobicContact CG1-CB 4.37Å; V97-A103 HydrophobicContact CG2-CB 4.39Å; V97-A103 PolarHBondContact N-O 3.23Å; K100-A103 HydrophobicContact CB-CB 3.5Å; K100-A103 VanDerWaalsContact CB-CB 3.5Å; K100-A103 HydrophobicContact CD-CB 4.15Å; K100-A103 HydrophobicContact CG-CB 4.49Å; R101-A103 PolarHBondContact O-N 3.03Å
104Y97.4Very high83.8Confident8 Ų871.3 Ų71.33%0.03136%0.361CS..EExtended strand (participates in β ladder)trans-145.1163.6-175.2-63.4-84.5000109.3E54 F55 L57 Y78 L85 I94 T95 K96 Y102E54-Y104 WeakPolarHBondContact CA-O 3.23Å; F55-Y104 WeakPolarHBondContact CD1-O 3.48Å; F55-Y104 HydrophobicContact CE2-CD2 4.24Å; F55-Y104 HydrophobicContact CE2-CG 4.46Å; F55-Y104 VanDerWaalsContact CZ-CB 3.42Å; F55-Y104 HydrophobicContact CZ-CD2 4.4Å; F55-Y104 HydrophobicContact CZ-CG 4.17Å; F55-Y104 PolarHBondContact N-O 3.38Å; F55-Y104 PolarHBondContact O-N 3.39Å; F55-Y104 VanDerWaalsContact O-O 3.05Å; L57-Y104 HydrophobicContact CD1-CE2 4.15Å; L57-Y104 HydrophobicContact CG-CD2 4.5Å; L57-Y104 HydrophobicContact CG-CE2 4.37Å; Y78-Y104 PolarHBondContact OH-OH 3.4Å; L85-Y104 HydrophobicContact CB-CE1 4.3Å; L85-Y104 HydrophobicContact CD1-CD1 4.28Å; L85-Y104 HydrophobicContact CD1-CD2 4.27Å; L85-Y104 HydrophobicContact CD1-CE1 3.83Å; L85-Y104 HydrophobicContact CD1-CE2 3.83Å; L85-Y104 HydrophobicContact CD1-CG 4.48Å; I94-Y104 HydrophobicContact CG2-CD1 4.09Å; I94-Y104 HydrophobicContact CG2-CG 4.31Å; T95-Y104 CarbonylContact O-C 3.57Å; T95-Y104 WeakPolarHBondContact O-CA 3.23Å; K96-Y104 HydrophobicContact CD-CD1 3.95Å; K96-Y104 HydrophobicContact CD-CE1 3.58Å; Y102-Y104 VanDerWaalsContact O-CD2 3.3Å; Y102-Y104 WeakPolarHBondContact O-CD2 3.34Å; Y102-Y104 WeakPolarHBondContact O-CE2 3.4Å
105K94.2Very high82.1Confident68 Ų6878 Ų7830%0.29639%0.39SS..EExtended strand (participates in β ladder)trans-134.8128.5179.6-173.5172-176.41610110.5T51 N52 G53 E54 I94 T95 V97T51-K105 PolarHBondContact OG1-NZ 3.2Å; N52-K105 VanDerWaalsContact O-CE 3.3Å; N52-K105 WeakPolarHBondContact O-CE 3.46Å; G53-K105 CarbonylContact O-C 3.57Å; G53-K105 WeakPolarHBondContact O-CA 3.44Å; E54-K105 HydrophobicContact CG-CB 3.9Å; E54-K105 HydrophobicContact CG-CD 3.62Å; E54-K105 HydrophobicContact CG-CG 3.68Å; E54-K105 IonicContact OE1-NZ 3.92Å; I94-K105 CarbonylContact C-O 3.55Å; I94-K105 WeakPolarHBondContact CA-O 3.18Å; T95-K105 PolarHBondContact N-O 3.37Å; T95-K105 PolarHBondContact O-N 3.45Å; T95-K105 PolarHBondContact OG1-O 3.15Å; V97-K105 HydrophobicContact CG2-CB 4.06Å
106F92.5Very high80.4Confident7 Ų782 Ų823%0.03140%0.404CS..EExtended strand (participates in β ladder)trans-70.6130.6167.2-76.3-83.6000109.8W30 L33 L34 L37 W48 G53 F55 I93 I94 F108W30-F106 HydrophobicContact CB-CE1 4.2Å; L33-F106 HydrophobicContact CB-CZ 4.2Å; L34-F106 HydrophobicContact CD1-CD1 4.4Å; L34-F106 HydrophobicContact CD1-CE1 3.9Å; L34-F106 HydrophobicContact CD1-CZ 4.25Å; L34-F106 HydrophobicContact CD2-CD1 4.08Å; L34-F106 HydrophobicContact CD2-CD2 3.66Å; L34-F106 HydrophobicContact CD2-CE1 3.61Å; L34-F106 HydrophobicContact CD2-CE2 3.17Å; L34-F106 HydrophobicContact CD2-CG 4.1Å; L34-F106 HydrophobicContact CD2-CZ 3.15Å; L34-F106 HydrophobicContact CG-CD1 4.47Å; L34-F106 HydrophobicContact CG-CE1 3.72Å; L34-F106 HydrophobicContact CG-CE2 4.1Å; L34-F106 HydrophobicContact CG-CZ 3.53Å; L37-F106 HydrophobicContact CD1-CE2 3.94Å; W48-F106 AromaticContact CH2-CD2 3.93Å; W48-F106 HydrophobicContact CH2-CD2 3.93Å; W48-F106 HydrophobicContact CH2-CE2 4.2Å; W48-F106 AromaticContact CZ3-CD2 3.97Å; W48-F106 HydrophobicContact CZ3-CD2 3.97Å; W48-F106 HydrophobicContact CZ3-CE2 4.43Å; G53-F106 PolarHBondContact O-N 3.08Å; F55-F106 AromaticContact CD1-CD2 3.49Å; F55-F106 HydrophobicContact CD1-CD2 3.49Å; F55-F106 VanDerWaalsContact CD1-CD2 3.49Å; F55-F106 AromaticContact CD1-CE2 3.41Å; F55-F106 HydrophobicContact CD1-CE2 3.41Å; F55-F106 VanDerWaalsContact CD1-CE2 3.41Å; F55-F106 AromaticContact CE1-CD2 3.36Å; F55-F106 HydrophobicContact CE1-CD2 3.36Å; F55-F106 AromaticContact CE1-CE2 3.08Å; F55-F106 HydrophobicContact CE1-CE2 3.08Å; F55-F106 HydrophobicContact CE1-CG 4.3Å; F55-F106 AromaticContact CE1-CZ 3.89Å; F55-F106 HydrophobicContact CE1-CZ 3.89Å; F55-F106 HydrophobicContact CE2-CE2 4.48Å; F55-F106 HydrophobicContact CG-CE2 4.24Å; F55-F106 HydrophobicContact CZ-CD2 4.36Å; F55-F106 AromaticContact CZ-CE2 3.68Å; F55-F106 HydrophobicContact CZ-CE2 3.68Å; F55-F106 HydrophobicContact CZ-CZ 4.13Å; I93-F106 WeakPolarHBondContact O-CA 3.35Å; I94-F106 HydrophobicContact CD1-CD1 4.12Å; I94-F106 HydrophobicContact CD1-CE1 3.48Å; I94-F106 VanDerWaalsContact CD1-CE1 3.48Å; I94-F106 HydrophobicContact CD1-CZ 3.7Å; I94-F106 HydrophobicContact CG1-CD1 3.51Å; I94-F106 HydrophobicContact CG1-CE1 3.43Å; I94-F106 VanDerWaalsContact CG1-CE1 3.43Å; I94-F106 HydrophobicContact CG1-CE2 4.5Å; I94-F106 HydrophobicContact CG1-CG 4.13Å; I94-F106 HydrophobicContact CG1-CZ 3.93Å; F106-F108 HydrophobicContact CB-CE1 3.86Å; F106-F108 HydrophobicContact CB-CE2 4.11Å; F106-F108 HydrophobicContact CB-CZ 3.64Å; F106-F108 HydrophobicContact CG-CZ 4.49Å
107D86.9Confident78.7Confident44 Ų4484.8 Ų84.824%0.23542%0.415CS..  trans-98.5107.8173.1-174-11.7000108.7N92 I93 Q109 G110N92-D107 WeakPolarHBondContact O-CB 3.35Å; I93-D107 PolarHBondContact O-N 3.34Å; D107-Q109 WeakPolarHBondContact OD1-CB 3.33Å; D107-Q109 PolarHBondContact OD1-N 3.01Å; D107-G110 PolarHBondContact OD1-N 3.18Å
108F73.2Confident76.9Confident91 Ų9185.1 Ų85.140%0.39942%0.416SS..SBendtrans-87-10.2-179.4-56.9-66.9000112.7F12 F106F12-F108 HydrophobicContact CE2-CE1 4.01Å; F12-F108 HydrophobicContact CE2-CZ 4.45Å; F106-F108 HydrophobicContact CB-CE1 3.86Å; F106-F108 HydrophobicContact CB-CE2 4.11Å; F106-F108 HydrophobicContact CB-CZ 3.64Å; F106-F108 HydrophobicContact CG-CZ 4.49Å
109Q67.1Low75.2Confident184 Ų18479.9 Ų79.986%0.8640%0.398SS*.SBendtrans-85.1-32.2-176.6-65.2-179.8-24.900111.5D107 H111D107-Q109 WeakPolarHBondContact OD1-CB 3.33Å; D107-Q109 PolarHBondContact OD1-N 3.01Å; Q109-H111 VanDerWaalsContact C-N 3.32Å; Q109-H111 PolarHBondContact O-N 3.24Å
110G57Low73.3Confident38 Ų3880 Ų8039%0.39238%0.377SS..SBendtrans-79.3-2.9-175.700000116.2D107D107-G110 PolarHBondContact OD1-N 3.18Å
111H60.7Low71.3Confident30 Ų3080 Ų8014%0.13938%0.377CS..  trans-125.975.4-175.9-67.8-84.5000113K91 N92 I93 Q109 E113 I114 F115K91-H111 PolarHBondContact O-CE1 3.36Å; K91-H111 PolarHBondContact O-NE2 3.12Å; N92-H111 PolarHBondContact O-CD2 3.41Å; N92-H111 PolarHBondContact O-NE2 2.75Å; I93-H111 WeakPolarHBondContact CA-NE2 3.35Å; I93-H111 WeakPolarHBondContact CG1-CE1 3.28Å; I93-H111 WeakPolarHBondContact CG1-NE2 3.08Å; I93-H111 PolarHBondContact N-NE2 2.95Å; Q109-H111 VanDerWaalsContact C-N 3.32Å; Q109-H111 PolarHBondContact O-N 3.24Å; H111-E113 PolarHBondContact O-N 3.34Å; H111-I114 HydrophobicContact CB-CB 3.39Å; H111-I114 HydrophobicContact CB-CD1 3.75Å; H111-I114 HydrophobicContact CB-CG1 3.53Å; H111-I114 WeakPolarHBondContact ND1-CD1 3.02Å; H111-I114 WeakPolarHBondContact ND1-CG1 3.2Å; H111-I114 PolarHBondContact O-N 3.28Å; H111-F115 VanDerWaalsContact O-CB 3.3Å; H111-F115 WeakPolarHBondContact O-CB 3.49Å; H111-F115 PolarHBondContact O-N 2.85Å
112E56.9Low69.2Low169 Ų16973.4 Ų73.479%0.7936%0.359SS*.Hα-helixtrans-54.5-36.115862.1-161.2177.400111F116E112-F116 WeakPolarHBondContact O-CA 3.15Å; E112-F116 WeakPolarHBondContact O-CB 3.41Å; E112-F116 PolarHBondContact O-N 2.8Å
113E57.2Low67.3Low119 Ų11972.3 Ų72.356%0.55637%0.367SS*.Hα-helixtrans-68.5-40.9175.3-86.5-156.4-157.500114.2H111 K117H111-E113 PolarHBondContact O-N 3.34Å; E113-K117 WeakPolarHBondContact O-CB 3.41Å; E113-K117 WeakPolarHBondContact O-CD 3.45Å; E113-K117 WeakPolarHBondContact O-CG 3.47Å; E113-K117 PolarHBondContact O-N 2.91Å; E113-K117 IonicContact OE2-NZ 2.72Å; E113-K117 PolarHBondContact OE2-NZ 3.07Å
114I58.5Low65.4Low29 Ų2975.7 Ų75.715%0.14938%0.384CS..Hα-helixtrans-67.8-51.8175.8-64179.8000106.7W30 I93 H111 F116 K117 L118W30-I114 HydrophobicContact CH2-CD1 4.04Å; W30-I114 HydrophobicContact CH2-CG1 4.36Å; W30-I114 HydrophobicContact CH2-CG2 3.78Å; W30-I114 HydrophobicContact CZ2-CD1 4.04Å; W30-I114 HydrophobicContact CZ2-CG1 4.42Å; W30-I114 HydrophobicContact CZ3-CD1 4.33Å; W30-I114 HydrophobicContact CZ3-CG2 4.07Å; I93-I114 HydrophobicContact CG1-CD1 4.36Å; H111-I114 HydrophobicContact CB-CB 3.39Å; H111-I114 HydrophobicContact CB-CD1 3.75Å; H111-I114 HydrophobicContact CB-CG1 3.53Å; H111-I114 WeakPolarHBondContact ND1-CD1 3.02Å; H111-I114 WeakPolarHBondContact ND1-CG1 3.2Å; H111-I114 PolarHBondContact O-N 3.28Å; I114-F116 PolarHBondContact O-N 2.83Å; I114-K117 PolarHBondContact O-N 2.85Å; I114-K117 VanDerWaalsContact O-N 3.16Å; I114-L118 HydrophobicContact CB-CD1 4.38Å; I114-L118 HydrophobicContact CG2-CD1 3.38Å; I114-L118 HydrophobicContact CG2-CD2 3.93Å; I114-L118 HydrophobicContact CG2-CG 4.23Å; I114-L118 WeakPolarHBondContact O-CB 2.97Å; I114-L118 WeakPolarHBondContact O-CD1 3.43Å; I114-L118 WeakPolarHBondContact O-CG 3.41Å; I114-L118 PolarHBondContact O-N 3.4Å
115F58.9Low63.4Low140 Ų14076.2 Ų76.261%0.61439%0.39SS*.Hα-helixtrans-57.3-35.6177.3-157.9-95.2000112.8H111 S119H111-F115 VanDerWaalsContact O-CB 3.3Å; H111-F115 WeakPolarHBondContact O-CB 3.49Å; H111-F115 PolarHBondContact O-N 2.85Å; F115-S119 WeakPolarHBondContact O-CB 3.24Å; F115-S119 PolarHBondContact O-N 3.12Å; F115-S119 PolarHBondContact O-OG 3.44Å
116F59.3Low61.6Low134 Ų13479 Ų7959%0.58840%0.403SS*.Hα-helixtrans-73.3-43.8175.7-172.8-92.9000112.7E112 I114 L118 S119 L120E112-F116 WeakPolarHBondContact O-CA 3.15Å; E112-F116 WeakPolarHBondContact O-CB 3.41Å; E112-F116 PolarHBondContact O-N 2.8Å; I114-F116 PolarHBondContact O-N 2.83Å; F116-L118 VanDerWaalsContact C-N 3.29Å; F116-L118 PolarHBondContact O-N 3.23Å; F116-S119 WeakPolarHBondContact CA-OG 3.44Å; F116-S119 PolarHBondContact O-N 3.17Å; F116-S119 PolarHBondContact O-OG 2.78Å; F116-S119 VanDerWaalsContact O-OG 3.07Å; F116-L120 WeakPolarHBondContact O-CB 3.18Å; F116-L120 PolarHBondContact O-N 3.33Å
117K59.5Low59.8Low106 Ų10680.7 Ų80.746%0.46142%0.419SS..Hα-helixtrans-61.3-44.7172.8-77164.4175.5156.40109.6E113 I114 L120 F121E113-K117 WeakPolarHBondContact O-CB 3.41Å; E113-K117 WeakPolarHBondContact O-CD 3.45Å; E113-K117 WeakPolarHBondContact O-CG 3.47Å; E113-K117 PolarHBondContact O-N 2.91Å; E113-K117 IonicContact OE2-NZ 2.72Å; E113-K117 PolarHBondContact OE2-NZ 3.07Å; I114-K117 PolarHBondContact O-N 2.85Å; I114-K117 VanDerWaalsContact O-N 3.16Å; K117-L120 PolarHBondContact O-N 3.48Å; K117-F121 WeakPolarHBondContact O-CB 3.21Å; K117-F121 WeakPolarHBondContact O-CD2 3.42Å; K117-F121 WeakPolarHBondContact O-CG 3.41Å; K117-F121 PolarHBondContact O-N 3.28Å
118L58.7Low58.1Low31 Ų3183.6 Ų83.616%0.16243%0.434CS..Hα-helixtrans-63.2-42.8176.5-89.560.4000112.7L15 W30 I114 F116 F121 S122L15-L118 HydrophobicContact CD1-CB 3.32Å; L15-L118 HydrophobicContact CD1-CD2 3.63Å; L15-L118 HydrophobicContact CD1-CG 3.25Å; L15-L118 HydrophobicContact CD2-CB 4.34Å; L15-L118 HydrophobicContact CD2-CD1 4.02Å; L15-L118 HydrophobicContact CD2-CD2 3.06Å; L15-L118 HydrophobicContact CD2-CG 3.25Å; L15-L118 HydrophobicContact CG-CB 4.22Å; L15-L118 HydrophobicContact CG-CD2 3.8Å; L15-L118 HydrophobicContact CG-CG 3.57Å; W30-L118 HydrophobicContact CH2-CD1 4.49Å; I114-L118 HydrophobicContact CB-CD1 4.38Å; I114-L118 HydrophobicContact CG2-CD1 3.38Å; I114-L118 HydrophobicContact CG2-CD2 3.93Å; I114-L118 HydrophobicContact CG2-CG 4.23Å; I114-L118 WeakPolarHBondContact O-CB 2.97Å; I114-L118 WeakPolarHBondContact O-CD1 3.43Å; I114-L118 WeakPolarHBondContact O-CG 3.41Å; I114-L118 PolarHBondContact O-N 3.4Å; F116-L118 VanDerWaalsContact C-N 3.29Å; F116-L118 PolarHBondContact O-N 3.23Å; L118-F121 PolarHBondContact O-N 2.98Å; L118-S122 WeakPolarHBondContact O-CB 2.91Å; L118-S122 PolarHBondContact O-N 3.41Å
119S58.4Low57.2Low55 Ų5585.4 Ų85.439%0.38544%0.443SS..Hα-helixtrans-72.2-36.4177.872.60000111.8F115 F116 S122 G123F115-S119 WeakPolarHBondContact O-CB 3.24Å; F115-S119 PolarHBondContact O-N 3.12Å; F115-S119 PolarHBondContact O-OG 3.44Å; F116-S119 WeakPolarHBondContact CA-OG 3.44Å; F116-S119 PolarHBondContact O-N 3.17Å; F116-S119 PolarHBondContact O-OG 2.78Å; F116-S119 VanDerWaalsContact O-OG 3.07Å; S119-S122 PolarHBondContact O-N 3.33Å; S119-G123 PolarHBondContact O-N 2.71Å
120L56.4Low56.5Low95 Ų9581.3 Ų81.350%0.49744%0.435SS..Hα-helixtrans-63.2-43.9172.1-169.972.4000110.6F116 K117 G123 I124F116-L120 WeakPolarHBondContact O-CB 3.18Å; F116-L120 PolarHBondContact O-N 3.33Å; K117-L120 PolarHBondContact O-N 3.48Å; L120-G123 PolarHBondContact O-N 3.25Å; L120-I124 HydrophobicContact CG-CD1 4.32Å; L120-I124 VanDerWaalsContact O-CG1 3.3Å; L120-I124 WeakPolarHBondContact O-CG1 3.18Å; L120-I124 PolarHBondContact O-N 2.89Å
121F53Low56.1Low82 Ų8287.7 Ų87.736%0.3645%0.454SS..Hα-helixtrans-68-35.4174.8-76.2-57000112.8F18 K117 L118 G123 I124 A125F18-F121 HydrophobicContact CD1-CB 3.82Å; F18-F121 HydrophobicContact CD1-CD1 4Å; F18-F121 AromaticContact CD1-CG 3.92Å; F18-F121 HydrophobicContact CD1-CG 3.92Å; F18-F121 HydrophobicContact CE1-CB 3.68Å; F18-F121 AromaticContact CE1-CD1 3.05Å; F18-F121 HydrophobicContact CE1-CD1 3.05Å; F18-F121 HydrophobicContact CE1-CD2 4.28Å; F18-F121 AromaticContact CE1-CE1 3.63Å; F18-F121 HydrophobicContact CE1-CE1 3.63Å; F18-F121 AromaticContact CE1-CG 3.43Å; F18-F121 HydrophobicContact CE1-CG 3.43Å; F18-F121 VanDerWaalsContact CE1-CG 3.43Å; F18-F121 HydrophobicContact CE1-CZ 4.47Å; F18-F121 HydrophobicContact CZ-CB 4.36Å; F18-F121 AromaticContact CZ-CD1 3.54Å; F18-F121 HydrophobicContact CZ-CD1 3.54Å; F18-F121 HydrophobicContact CZ-CE1 4.14Å; F18-F121 HydrophobicContact CZ-CG 4.24Å; K117-F121 WeakPolarHBondContact O-CB 3.21Å; K117-F121 WeakPolarHBondContact O-CD2 3.42Å; K117-F121 WeakPolarHBondContact O-CG 3.41Å; K117-F121 PolarHBondContact O-N 3.28Å; L118-F121 PolarHBondContact O-N 2.98Å; F121-G123 VanDerWaalsContact C-N 3.34Å; F121-I124 HydrophobicContact CD1-CD1 4.32Å; F121-I124 PolarHBondContact O-N 3.36Å; F121-A125 VanDerWaalsContact O-CB 3.28Å; F121-A125 WeakPolarHBondContact O-CB 3.3Å; F121-A125 PolarHBondContact O-N 3.04Å
122S53.4Low55.2Low44 Ų4490.4 Ų90.431%0.30848%0.477SS..Hα-helixtrans-63.9-39.5170.5-175.70000111.4L118 S119 A125 Q126L118-S122 WeakPolarHBondContact O-CB 2.91Å; L118-S122 PolarHBondContact O-N 3.41Å; S119-S122 PolarHBondContact O-N 3.33Å; S122-A125 PolarHBondContact O-N 3.04Å; S122-Q126 WeakPolarHBondContact O-CB 3.39Å; S122-Q126 WeakPolarHBondContact O-CG 3.35Å; S122-Q126 PolarHBondContact O-N 3.16Å
123G57.5Low54.1Low41 Ų4185.3 Ų85.342%0.42347%0.469SS..Hα-helixtrans-63-42.1174.100000112.1S119 L120 F121 A127S119-G123 PolarHBondContact O-N 2.71Å; L120-G123 PolarHBondContact O-N 3.25Å; F121-G123 VanDerWaalsContact C-N 3.34Å; G123-A127 VanDerWaalsContact O-CB 3.23Å; G123-A127 WeakPolarHBondContact O-CB 3.19Å; G123-A127 PolarHBondContact O-N 3.06Å
124I57.5Low53.3Low75 Ų7584.5 Ų84.539%0.38548%0.483SS..Hα-helixtrans-68.2-43.5175.5-65.7163.2000111L120 F121 A127 I128L120-I124 HydrophobicContact CG-CD1 4.32Å; L120-I124 VanDerWaalsContact O-CG1 3.3Å; L120-I124 WeakPolarHBondContact O-CG1 3.18Å; L120-I124 PolarHBondContact O-N 2.89Å; F121-I124 HydrophobicContact CD1-CD1 4.32Å; F121-I124 PolarHBondContact O-N 3.36Å; I124-A127 PolarHBondContact O-N 3.23Å; I124-I128 HydrophobicContact CG2-CD1 3.74Å; I124-I128 HydrophobicContact CG2-CG1 4.38Å; I124-I128 VanDerWaalsContact O-CG1 3.23Å; I124-I128 WeakPolarHBondContact O-CG1 3.39Å; I124-I128 PolarHBondContact O-N 2.76Å
125A54.2Low52.5Low19 Ų1986.6 Ų86.616%0.15751%0.505CS..Hα-helixtrans-64.7-42.3178.200000112.1F18 F121 S122 I128 Q129F18-A125 HydrophobicContact CD2-CB 4.31Å; F18-A125 HydrophobicContact CE2-CB 4.45Å; F121-A125 VanDerWaalsContact O-CB 3.28Å; F121-A125 WeakPolarHBondContact O-CB 3.3Å; F121-A125 PolarHBondContact O-N 3.04Å; S122-A125 PolarHBondContact O-N 3.04Å; A125-I128 PolarHBondContact O-N 3.4Å; A125-Q129 WeakPolarHBondContact O-CG 3.19Å; A125-Q129 PolarHBondContact O-N 3.06Å
126Q56.3Low51.7Low125 Ų12583 Ų8358%0.58450%0.497SS*.Hα-helixtrans-66.2-36.3172.6-74-163.1-20.400111.8S122 Q129 S130S122-Q126 WeakPolarHBondContact O-CB 3.39Å; S122-Q126 WeakPolarHBondContact O-CG 3.35Å; S122-Q126 PolarHBondContact O-N 3.16Å; Q126-Q129 PolarHBondContact O-N 3.18Å; Q126-S130 WeakPolarHBondContact O-CB 3.36Å; Q126-S130 PolarHBondContact O-N 3.43Å; Q126-S130 PolarHBondContact O-OG 3.38Å
127A55.2Low51.2Low44 Ų4481.1 Ų81.136%0.36451%0.506SS..Hα-helixtrans-67.1-35.6174.400000112.8G123 I124 S130 Q131G123-A127 VanDerWaalsContact O-CB 3.23Å; G123-A127 WeakPolarHBondContact O-CB 3.19Å; G123-A127 PolarHBondContact O-N 3.06Å; I124-A127 PolarHBondContact O-N 3.23Å; A127-S130 PolarHBondContact O-N 2.74Å; A127-Q131 WeakPolarHBondContact O-CG 3.36Å; A127-Q131 PolarHBondContact O-N 3.04Å
128I51.7Low50.7Low104 Ų10481 Ų8153%0.53352%0.515SS..Hα-helixtrans-69.7-39.5174.3-67.8165.3000110.9I124 A125 S130 Q131 S132I124-I128 HydrophobicContact CG2-CD1 3.74Å; I124-I128 HydrophobicContact CG2-CG1 4.38Å; I124-I128 VanDerWaalsContact O-CG1 3.23Å; I124-I128 WeakPolarHBondContact O-CG1 3.39Å; I124-I128 PolarHBondContact O-N 2.76Å; A125-I128 PolarHBondContact O-N 3.4Å; I128-S130 VanDerWaalsContact C-N 3.33Å; I128-Q131 PolarHBondContact O-N 2.95Å; I128-S132 PolarHBondContact O-N 3.31Å; I128-S132 PolarHBondContact O-OG 2.72Å; I128-S132 VanDerWaalsContact O-OG 3.08Å
129Q53.8Low50.3Low130 Ų13085.3 Ų85.361%0.60753%0.534SS*.Hα-helixtrans-68.1-32.7174.1-72.9175.6-1.100112.3A125 Q126 S132A125-Q129 WeakPolarHBondContact O-CG 3.19Å; A125-Q129 PolarHBondContact O-N 3.06Å; Q126-Q129 PolarHBondContact O-N 3.18Å; Q129-S132 PolarHBondContact O-N 3.33Å; Q129-S132 PolarHBondContact O-OG 3.21Å
130S51.6Low49.8Very low97 Ų9789.5 Ų89.568%0.67855%0.549SS*.Hα-helixtrans-74.4-23.8177.8-53.80000113.4Q126 A127 I128Q126-S130 WeakPolarHBondContact O-CB 3.36Å; Q126-S130 PolarHBondContact O-N 3.43Å; Q126-S130 PolarHBondContact O-OG 3.38Å; A127-S130 PolarHBondContact O-N 2.74Å; I128-S130 VanDerWaalsContact C-N 3.33Å
131Q48.4Very low49.2Very low172 Ų17293.5 Ų93.580%0.80456%0.563SS**Hα-helixtrans-86.6-12.4174.4-72.5-176.456.100113.3A127 I128 G133A127-Q131 WeakPolarHBondContact O-CG 3.36Å; A127-Q131 PolarHBondContact O-N 3.04Å; I128-Q131 PolarHBondContact O-N 2.95Å; Q131-G133 VanDerWaalsContact C-N 3.27Å; Q131-G133 PolarHBondContact O-N 3.26Å
132S42.2Very low49.2Very low88 Ų8893.1 Ų93.162%0.61558%0.575SS**  trans-94.552.416941.80000111I128 Q129I128-S132 PolarHBondContact O-N 3.31Å; I128-S132 PolarHBondContact O-OG 2.72Å; I128-S132 VanDerWaalsContact O-OG 3.08Å; Q129-S132 PolarHBondContact O-N 3.33Å; Q129-S132 PolarHBondContact O-OG 3.21Å
133G35Very low49Very low61 Ų61101.7 Ų101.763%0.62960%0.601SS**  trans-69.3128.2159.200000109.8Q131Q131-G133 VanDerWaalsContact C-N 3.27Å; Q131-G133 PolarHBondContact O-N 3.26Å
134A39.3Very low48.3Very low102 Ų102104.5 Ų104.584%0.84361%0.613SS**  trans68.680.1161.700000118.4
135A41.6Very low47.6Very low73 Ų73104.6 Ų104.660%0.60363%0.626SS**  trans-150.692141.900000108.9A137A135-A137 PolarHBondContact O-N 2.94Å
136S42.3Very low47.1Very low65 Ų65109.7 Ų109.746%0.45566%0.655SS.*  trans-56.8128.3170.8177.50000108.1T138 E139S136-T138 PolarHBondContact O-N 3.48Å; S136-T138 PolarHBondContact OG-OG1 2.64Å; S136-E139 PolarHBondContact O-N 3.04Å
137A49.5Very low46.5Very low94 Ų94109.1 Ų109.178%0.77766%0.66SS**THydrogen-bonded Turntrans-55.9-6.6177.100000113.7A135A135-A137 PolarHBondContact O-N 2.94Å
138T48.6Very low45.8Very low105 Ų105118.3 Ų118.364%0.64469%0.685SS**THydrogen-bonded Turntrans-84.4-26173.8-410000113.1S136S136-T138 PolarHBondContact O-N 3.48Å; S136-T138 PolarHBondContact OG-OG1 2.64Å
139E50.3Low45.2Very low121 Ų121122 Ų12257%0.56570%0.698SS**Hα-helixtrans-82.9-19.5-177.5-74.5177.1114.300113.6S136 R143S136-E139 PolarHBondContact O-N 3.04Å; E139-R143 WeakPolarHBondContact O-CG 3.43Å
140M47.9Very low44.5Very low142 Ų142121.6 Ų121.670%0.771%0.706SS**Hα-helixtrans-74.2-27.1171.8-71.3-163.6175.800112.6
141F44.9Very low43.7Very low180 Ų180122 Ų12279%0.78971%0.709SS**Hα-helixtrans-79.9-29.2176.6-165.3-104.3000112.5
142A51.6Low43.3Very low74 Ų74122.5 Ų122.561%0.61271%0.711SS**Hα-helixtrans-76.8-22178.800000114
143R49.1Very low43Very low224 Ų224127.6 Ų127.685%0.84572%0.723SS**THydrogen-bonded Turntrans-92.9-4.7-178.2-66.7177.971-177.81.9114.3E139E139-R143 WeakPolarHBondContact O-CG 3.43Å
144S43.2Very low43.3Very low99 Ų99131.4 Ų131.469%0.69273%0.729SS**SBendtrans-1063.8176.4-65.10000114.1
145A42.8Very low43.3Very low78 Ų78133.8 Ų133.865%0.64572%0.724SS**  trans-88.67.3-177.700000115.4
146T44.1Very low43.2Very low126 Ų126138 Ų13877%0.77373%0.732SS**  trans-103.773.7174-66.20000110.5
147V44.1Very low42.7Very low113 Ų113143.3 Ų143.369%0.68575%0.749SS**  trans-129.198151.7-179.50000106.3F149V147-F149 HydrophobicContact CG1-CD2 4.12Å; V147-F149 HydrophobicContact CG1-CE2 3.68Å; V147-F149 PolarHBondContact O-N 2.75Å
148R39.6Very low42.1Very low236 Ų236144.4 Ų144.489%0.89175%0.751SS**  trans-58.9125.3177.7-72.4174.8168.3-179.9-4.6110.3
149F38.6Very low41.4Very low183 Ų183144 Ų14480%0.80376%0.758SS**  trans-132.4137.9156.5-79.8-73.7000110.2V147V147-F149 HydrophobicContact CG1-CD2 4.12Å; V147-F149 HydrophobicContact CG1-CE2 3.68Å; V147-F149 PolarHBondContact O-N 2.75Å
150P39.6Very low40.7Very low120 Ų120142.2 Ų142.278%0.77976%0.764SS**  trans-88.4148-162.235.7-34.3000113.2
151S35.3Very low40.2Very low106 Ų106143.7 Ų143.774%0.74177%0.773SS**  trans-71.8140.5165.244.10000111.8
152E40Very low39.8Very low183 Ų183138.4 Ų138.486%0.85577%0.77SS**  trans153.2103.3139.2-81.7-172.4127.400109.8
153F36.4Very low39Very low195 Ų195138.1 Ų138.186%0.85577%0.774SS**  66.497.995.8-138.2-87.5000112.9
154N41.1Very low38Very low140 Ų140139.8 Ų139.875%0.74978%0.781SS**  173.1144.9109.5-161.221.3000112.5
155M37.8Very low37.8Very low153 Ų153139.8 Ų139.875%0.75478%0.78SS**  trans-62.9135.5173.5-150.3174.1-144.500111.3
156Q39.6Very low37.7Very low162 Ų162141.8 Ų141.876%0.75778%0.78SS**  172.5111.9127.2-127.975.4-3800112.4
157Q33Very low37.5Very low175 Ų175145.9 Ų145.982%0.81878%0.783SS**  trans-5.5134.1143.2-165.1160.658.700118.7
158S36.3Very low37.8Very low117 Ų117146.7 Ų146.782%0.81879%0.788SS**  170.5150.2113.5-70.50000113.9
159A34.6Very low37.9Very low97 Ų97146.5 Ų146.580%0.80279%0.788SS**  trans-58.3156.9-174.300000116.8
160A35.9Very low38.7Very low83 Ų83144 Ų14469%0.68679%0.79SS**  129.6143.8119.200000115.2
161I37.3Very low38.7Very low173 Ų173146.8 Ų146.889%0.88779%0.794SS**  trans76.7122160.4-37.8-166.2000114
162G36.4Very low39Very low70 Ų70148.3 Ų148.372%0.72280%0.795SS**  cis132.4117.217.500000108.4
163G33.2Very low39.1Very low68 Ų68146.6 Ų146.670%0.70179%0.79SS**  trans76.9157.7163.500000118.4
164W30.1Very low39.2Very low259 Ų259145 Ų14598%0.98179%0.787SS**  cis-155.9170.7-4-83.2-19.7000109.8
165S37.3Very low39.4Very low98 Ų98143.2 Ų143.269%0.68579%0.792SS**  trans-45163.1178.5-147.30000119.2
166N40.9Very low39.8Very low121 Ų121141.5 Ų141.565%0.64780%0.795SS**  trans88.1122.3154-60.2-17000117.8
167Y40.8Very low40.4Very low212 Ų212139.3 Ų139.383%0.83180%0.795SS**  -179110.398-90.4-74.8000111.3
168T49.9Very low40.9Very low129 Ų129139.3 Ų139.379%0.79180%0.8SS**  43.3124.5124.7-43.40000121.4
169R40.9Very low41.4Very low233 Ų233137.9 Ų137.988%0.87980%0.795SS**  trans-68.3153.6168.6-52.2170.179.3162.95.3112.4
170P56Low42Very low131 Ų131138.2 Ų138.285%0.85179%0.792SS**  trans-104.5147.9159.133.5-24.4000113.2
171M39.8Very low42.6Very low177 Ų177142.1 Ų142.187%0.87280%0.801SS**  trans-111.8139.3173.7-108.9-83.9-127.800109.3
172N41.8Very low43Very low139 Ų139138 Ų13874%0.74379%0.793SS**  trans62.1129.3144.9-139.217.7000120.5
173L41.3Very low43.5Very low147 Ų147139.9 Ų139.977%0.7780%0.802SS**  -169.9134.1126.6-122.889.1000113
174M39.8Very low44Very low161 Ų161139.7 Ų139.779%0.79380%0.8SS**  trans-43.7146.8164.662.5-150.8173.500117.6
175A44.8Very low44.8Very low102 Ų102135.1 Ų135.184%0.84379%0.794SS**  trans170.2139.4131.500000112.4
176S44.8Very low45.2Very low118 Ų118139.4 Ų139.483%0.82580%0.8SS**  trans-94.1-159.7-172.3-51.60000113.2
177P52.4Low45Very low116 Ų116138.8 Ų138.875%0.75380%0.801SS**  -124.2167.3-100.537.4-18.7000114.1
178L43.6Very low45.1Very low175 Ų175133.5 Ų133.592%0.91680%0.801SS**  trans-174.1146.6157.3-106.5134.3000113.5
179A46.6Very low44.6Very low87 Ų87132.4 Ų132.472%0.71980%0.799SS**  trans73.5141.9157.300000118.3
180S48Very low44.8Very low104 Ų104128 Ų12873%0.72780%0.797SS**  cis-176165.8-4.2-83.30000108.4
181N47.7Very low43.9Very low164 Ų164125.7 Ų125.788%0.87779%0.789SS**  trans84.7141.5164.2-690.7000119
182A46.3Very low44.2Very low87 Ų87128 Ų12872%0.71979%0.79SS**  cis-177.7156.1-17.900000107.9
183A47.6Very low44.4Very low110 Ų110126.5 Ų126.591%0.90979%0.788SS**  trans76.3125.9165.200000118.1
184G44Very low44.2Very low64 Ų64128 Ų12866%0.6679%0.791SS**  cis177158.1-0.900000112
185L46.8Very low44.2Very low163 Ų163128.4 Ų128.485%0.85379%0.794SS**  trans60.1132.1147.1-49.5175.1000118
186F44.7Very low43.9Very low187 Ų187126.7 Ų126.782%0.8279%0.787SS**  cis-158.1156.310.2-142.8-97.3000108.5
187T38.3Very low43.5Very low109 Ų109124.9 Ų124.967%0.66979%0.786SS**  trans-73.5151.3-174-169.70000114.6
188A42.8Very low42.6Very low101 Ų101123 Ų12384%0.83579%0.788SS**  -167.5111.9128.800000110.8
189S37.5Very low42.5Very low106 Ų106121.9 Ų121.974%0.74178%0.783SS**  trans-70.1143.7172.4-48.90000112.7
190V46.9Very low42.5Very low140 Ų140123.7 Ų123.785%0.84879%0.787SS**  trans-149.2122.1132-173.80000108.3
191A37.1Very low41.9Very low82 Ų82122.8 Ų122.868%0.67879%0.786SS**  trans-93.6153.3173.500000110.6
192Y46Very low41.6Very low225 Ų225119.7 Ų119.788%0.88278%0.777SS**  trans-168.1159146-90.5-55.1000110.1
193P45.5Very low41.4Very low109 Ų109120.4 Ų120.471%0.70878%0.783SS**  trans-119.4156.8-133.726.6-4.7000115.7
194H36.4Very low41.3Very low178 Ų178125.1 Ų125.182%0.82478%0.777SS**  trans16.9106.7144.8-163.6-76.6000120
195I40.6Very low41.3Very low170 Ų170129.3 Ų129.387%0.87279%0.785SS**  trans-142.3132.5140.2-70.3-163.1000108.2
196G38Very low40.8Very low66 Ų66130.6 Ų130.668%0.6878%0.784SS**  trans-83.2-177.4-170.400000116.1
197G36.1Very low41.2Very low79 Ų79126.3 Ų126.381%0.81478%0.777SS**  trans140.499.7167.600000114.2
198G34.8Very low41.5Very low77 Ų77129.5 Ų129.579%0.79478%0.782SS**  trans64.9109.4135.400000120.8
199N40.5Very low41.2Very low152 Ų152131.4 Ų131.481%0.81379%0.788SS**  trans69.9130.1151.6-121-30.7000118
200P46.1Very low41.8Very low124 Ų124130.5 Ų130.581%0.80578%0.781SS**  -141135.6111.933.3-17.9000114
201A37.3Very low41.4Very low85 Ų85134.1 Ų134.170%0.70278%0.78SS**  trans-53.2158.9153.300000111.5
202S40.2Very low41.9Very low99 Ų99135 Ų13569%0.69279%0.786SS**  trans89.974.6163.6-161.30000116.8
203A42.7Very low41.9Very low102 Ų102131.9 Ų131.984%0.84378%0.782SS**  trans-117.784.5149.400000109.1N205A203-N205 PolarHBondContact O-N 3.47Å
204R44.4Very low42.3Very low209 Ų209131.5 Ų131.579%0.78979%0.788SS**  trans-72.6102.2163.9-80.9-176.2-94.7175.8-7.3107.6F206R204-F206 HydrophobicContact CG-CE2 4.48Å
205N44.4Very low43.2Very low153 Ų153128.5 Ų128.582%0.81879%0.787SS**  trans-112.692.6168.2-143.9-12.9000107.6A203 S207A203-N205 PolarHBondContact O-N 3.47Å; N205-S207 PolarHBondContact O-N 3.43Å
206F37Very low44.4Very low190 Ų190126.5 Ų126.583%0.83379%0.785SS**  trans-80.4108.3172.1-83.4-85.3000108R204R204-F206 HydrophobicContact CG-CE2 4.48Å
207S52.5Low45.5Very low97 Ų97126.9 Ų126.968%0.67879%0.789SS**  trans-124.4136.5168.1-121.20000108.1N205N205-S207 PolarHBondContact O-N 3.43Å
208F43.9Very low46.4Very low175 Ų175129.2 Ų129.277%0.76879%0.79SS**  trans75.194.3167.8-81-100.1000118.5S210F208-S210 VanDerWaalsContact C-N 3.32Å; F208-S210 WeakPolarHBondContact CD1-OG 3.33Å; F208-S210 PolarHBondContact O-N 3.4Å
209C37.5Very low47.4Very low142 Ų142132.7 Ų132.796%0.95979%0.785SS**  trans-89.975.9146.7-166.80000108.4
210S49.3Very low47.9Very low86 Ų86134.5 Ų134.560%0.60179%0.786SS**  trans-88.5114.9162.5-85.70000109.2F208 A212F208-S210 VanDerWaalsContact C-N 3.32Å; F208-S210 WeakPolarHBondContact CD1-OG 3.33Å; F208-S210 PolarHBondContact O-N 3.4Å; S210-A212 PolarHBondContact O-N 3.24Å
211R39.7Very low48.6Very low217 Ų217133.2 Ų133.282%0.81978%0.78SS**  trans-0.7112147.5-179.3166.7-112.5170.8-5.9115.9
212A46.3Very low50Low99 Ų99134.6 Ų134.682%0.81878%0.782SS**  trans-141.4115.5148.100000108S210S210-A212 PolarHBondContact O-N 3.24Å
213M47.5Very low50.9Low161 Ų161140.8 Ų140.879%0.79379%0.792SS**  trans-77.9127.7170.7-57.9-165-163.500108.1
214A53.7Low52.2Low100 Ų100141.2 Ų141.283%0.82679%0.786SS**  trans-147.2134.8164.500000109
215S53.8Low53.2Low115 Ų115141.6 Ų141.680%0.80479%0.793SS**PPolyproline II helixtrans-60.4154.3-159-47.90000117
216P66.7Low54.2Low128 Ų128140.2 Ų140.283%0.83179%0.79SS**PPolyproline II helixtrans-85.9125.2163.732.4-26000110.3
217G61.7Low55.4Low74 Ų74144.9 Ų144.976%0.76381%0.811SS**PPolyproline II helixtrans-71.8149.4165.200000111
218P55.4Low55.5Low128 Ų128147.3 Ų147.383%0.83182%0.817SS**PPolyproline II helixtrans-89.5151.1171.235.3-28.8000109.9
219H55.3Low56.1Low150 Ų150145.8 Ų145.869%0.69482%0.82SS**  trans140.4109.4145.9-159.7-95.5000110.3
220F50.4Low57.2Low191 Ų191146 Ų14684%0.83881%0.812SS**  -173.7147.1119.8-104.5-78.4000110.8
221S60.5Low57.6Low97 Ų97149.5 Ų149.568%0.67883%0.825SS**PPolyproline II helixtrans-80.4166.6-149.8-130.30000116
222P66.6Low58.7Low114 Ų114145.3 Ų145.374%0.7483%0.825SS**PPolyproline II helixtrans-81.3145.8178.97.39.9000113.1
223Y60Low59.6Low229 Ų229148.4 Ų148.490%0.89883%0.825SS**PPolyproline II helixtrans-87.6132.9162.4-82.8-85.1000110.5
224P70.1Confident60.4Low111 Ų111147.5 Ų147.572%0.72183%0.828SS**PPolyproline II helixtrans-83.5140.4175.332.3-30.7000111.3
225K65.6Low60.9Low217 Ų217151.2 Ų151.294%0.94383%0.828SS**  trans-92.1110.7158.4-76.1-160.4177.4-175.30108.6
226T65.1Low61.5Low124 Ų124154.2 Ų154.276%0.76183%0.83SS**  trans-76.1132.3164.738.10000110.3
227F61Low61.1Low287 Ų287156.5 Ų156.5100%1.25983%0.83SS**  trans42.70159.4-88.8-89.7000120

Retrieved 227 of 227 residues in 724.6 ms (Link to these results)

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