A0A087YEA7_POEFO Loading...

Ciliogenesis and planar polarity effector 2

AlphaFold DB , UniProt , Accession A0A087YEA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 249 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.5Very low52.2Low247 Ų247130.9 Ų130.9100%1.21768%0.677SS**  087.10-164.1173.6-173.500107.4A3M1-A3 PolarHBondContact O-N 2.89Å
2M29.5Very low55.3Low190 Ų190123.1 Ų123.194%0.93664%0.639SS**  trans-80.4114.9-179.2-73.7-159.116100108.7R4M2-R4 PolarHBondContact O-N 2.73Å; M2-R4 VanDerWaalsContact O-N 3.14Å
3A32.7Very low57.5Low95 Ų95118.4 Ų118.479%0.78562%0.621SS**  trans-58116.8171.900000108.1M1 V5M1-A3 PolarHBondContact O-N 2.89Å; A3-V5 PolarHBondContact O-N 3.24Å
4R33Very low59.5Low218 Ų218114.7 Ų114.782%0.82360%0.602SS**  trans-56110.9170.6-105.4172.4150.8-173.9-8.8107.4M2M2-R4 PolarHBondContact O-N 2.73Å; M2-R4 VanDerWaalsContact O-N 3.14Å
5V31.2Very low61.5Low123 Ų123107.5 Ų107.575%0.74556%0.564SS**PPolyproline II helixtrans-52.4124.3166.4179.70000106.4A3A3-V5 PolarHBondContact O-N 3.24Å
6P40.8Very low63Low100 Ų100102.7 Ų102.765%0.64954%0.537SS*.PPolyproline II helixtrans-56.9142174.923-31.1000108.1R8P6-R8 PolarHBondContact O-N 2.9Å; P6-R8 VanDerWaalsContact O-N 3.12Å
7P53Low64.5Low121 Ų121107.2 Ų107.279%0.78655%0.545SS*.PPolyproline II helixtrans-48.8127.9176.8-2130.3000108.1A9P7-A9 PolarHBondContact O-N 3.08Å
8R64.1Low65.8Low221 Ų221103.8 Ų103.883%0.83453%0.533SS*.  trans-55.6111.3175.1-93.2-179.6162.6177.7-5.1106.4P6 Y10P6-R8 PolarHBondContact O-N 2.9Å; P6-R8 VanDerWaalsContact O-N 3.12Å; R8-Y10 PolarHBondContact O-N 3.45Å
9A79.1Confident66.9Low39 Ų39108.1 Ų108.132%0.32255%0.547SS..  trans-56.1130.3173.400000107.9P7 R102 E224P7-A9 PolarHBondContact O-N 3.08Å; A9-R102 WeakPolarHBondContact O-CD 3.49Å; A9-E224 WeakPolarHBondContact CA-OE1 3.35Å
10Y86.6Confident67.9Low80 Ų80106.5 Ų106.531%0.31454%0.54SS..SBendtrans-82.1-32.1178.3-70.1-91.9000111.2R8 R102 E224 W227 H228 C231R8-Y10 PolarHBondContact O-N 3.45Å; Y10-R102 PolarHBondContact O-N 3.26Å; Y10-E224 WeakPolarHBondContact CD2-OE1 3.43Å; Y10-E224 PolarHBondContact N-OE1 3.2Å; Y10-E224 PolarHBondContact N-OE2 3.49Å; Y10-E224 VanDerWaalsContact N-OE2 3.12Å; Y10-W227 VanDerWaalsContact CB-CD1 3.44Å; Y10-W227 AromaticContact CD1-CD1 3.93Å; Y10-W227 AromaticContact CG-CD1 3.88Å; Y10-H228 HydrophobicContact CD2-CB 3.96Å; Y10-H228 HydrophobicContact CE2-CB 3.86Å; Y10-H228 AromaticContact CE2-CD2 3.32Å; Y10-H228 WeakPolarHBondContact CE2-CD2 3Å; Y10-H228 AromaticContact CE2-CG 3.9Å; Y10-H228 AromaticContact CZ-CD2 3.56Å; Y10-H228 PolarHBondContact OH-CD2 2.85Å; Y10-C231 HydrophobicContact CE1-CB 4.41Å
11I90.4Very high68.8Low6 Ų6101.5 Ų101.53%0.03151%0.514CS..BIsolated β-bridgetrans-105.1155.1179.784-175.4000111.4P13 V99 K100 L101 R102 N220 A223 E224I11-P13 VanDerWaalsContact O-CD 3.24Å; I11-P13 WeakPolarHBondContact O-CD 3.18Å; I11-V99 HydrophobicContact CB-CG1 3.61Å; I11-V99 HydrophobicContact CD1-CG1 4.18Å; I11-V99 HydrophobicContact CG1-CG1 4.43Å; I11-V99 HydrophobicContact CG2-CG1 3.37Å; I11-K100 CarbonylContact C-O 3.27Å; I11-K100 WeakPolarHBondContact CA-O 3.49Å; I11-L101 HydrophobicContact CG2-CD2 4.44Å; I11-R102 WeakPolarHBondContact O-CD 3.45Å; I11-R102 PolarHBondContact O-NE 3.22Å; I11-N220 HydrophobicContact CD1-CB 4.5Å; I11-A223 HydrophobicContact CD1-CB 3.91Å; I11-E224 HydrophobicContact CD1-CB 4.07Å; I11-E224 HydrophobicContact CG1-CB 4.46Å; I11-E224 VanDerWaalsContact CG1-OE2 3.28Å; I11-E224 WeakPolarHBondContact CG1-OE2 3.46Å; I11-E224 PolarHBondContact N-OE2 3.44Å
12V89.3Confident71.3Confident37 Ų3795.9 Ų95.922%0.22448%0.483CS..  trans-70.4111.2171.1179.60000107.9W15 K100 R102V12-W15 HydrophobicContact CB-CB 4.1Å; V12-W15 HydrophobicContact CB-CG 4.42Å; V12-W15 HydrophobicContact CG1-CB 4.01Å; V12-W15 HydrophobicContact CG1-CG 4.35Å; V12-W15 WeakPolarHBondContact O-CB 3.48Å; V12-W15 PolarHBondContact O-N 3.03Å; V12-K100 HydrophobicContact CB-CB 4.28Å; V12-K100 HydrophobicContact CG2-CB 4.1Å; V12-K100 HydrophobicContact CG2-CD 4.18Å; V12-K100 HydrophobicContact CG2-CG 4Å; V12-K100 PolarHBondContact N-O 2.8Å; V12-R102 HydrophobicContact CG2-CG 3.75Å
13P83.9Confident74.1Confident62 Ų6290.9 Ų90.940%0.40346%0.458SS..THydrogen-bonded Turntrans-66.3144-178.230.5-35.9000109I11 W15 R102I11-P13 VanDerWaalsContact O-CD 3.24Å; I11-P13 WeakPolarHBondContact O-CD 3.18Å; P13-W15 PolarHBondContact O-N 3.08Å; P13-R102 VanDerWaalsContact CD-CZ 3.49Å; P13-R102 VanDerWaalsContact CG-NH2 3.26Å
14D85.6Confident76.7Confident67 Ų6788.3 Ų88.336%0.35843%0.428SS..THydrogen-bonded Turntrans52.728.6178.6-58.6-45.8000114.5H16 R17 N220D14-H16 PolarHBondContact O-N 2.99Å; D14-H16 IonicContact OD1-CE1 2.73Å; D14-H16 PolarHBondContact OD1-CE1 2.85Å; D14-R17 HydrophobicContact CB-CG 4.3Å; D14-R17 WeakPolarHBondContact O-CB 3.01Å; D14-R17 PolarHBondContact O-N 3.05Å; D14-N220 PolarHBondContact OD1-ND2 3.2Å
15W89.2Confident79.2Confident7 Ų778.3 Ų78.33%0.02739%0.39CS..G310 helixtrans-57-27.7-179.8-175.652.7000112.8V12 P13 R17 C18 D20 S21 Y24 F25 P98 K100 V107V12-W15 HydrophobicContact CB-CB 4.1Å; V12-W15 HydrophobicContact CB-CG 4.42Å; V12-W15 HydrophobicContact CG1-CB 4.01Å; V12-W15 HydrophobicContact CG1-CG 4.35Å; V12-W15 WeakPolarHBondContact O-CB 3.48Å; V12-W15 PolarHBondContact O-N 3.03Å; P13-W15 PolarHBondContact O-N 3.08Å; W15-R17 PolarHBondContact O-N 2.7Å; W15-C18 WeakPolarHBondContact O-CB 3.36Å; W15-C18 PolarHBondContact O-N 3.01Å; W15-D20 PolarHBondContact NE1-OD1 3.46Å; W15-D20 VanDerWaalsContact NE1-OD1 3.08Å; W15-D20 PolarHBondContact NE1-OD2 2.98Å; W15-S21 WeakPolarHBondContact O-CB 3.37Å; W15-S21 PolarHBondContact O-OG 3.37Å; W15-Y24 HydrophobicContact CH2-CD1 4.46Å; W15-Y24 AromaticContact CH2-CD2 3.29Å; W15-Y24 HydrophobicContact CH2-CD2 3.29Å; W15-Y24 AromaticContact CH2-CE2 3.69Å; W15-Y24 HydrophobicContact CH2-CE2 3.69Å; W15-Y24 AromaticContact CH2-CG 3.72Å; W15-Y24 HydrophobicContact CH2-CG 3.72Å; W15-Y24 AromaticContact CZ2-CD2 3.73Å; W15-Y24 HydrophobicContact CZ2-CD2 3.73Å; W15-Y24 AromaticContact CZ2-CE2 3.87Å; W15-Y24 HydrophobicContact CZ2-CE2 3.87Å; W15-Y24 HydrophobicContact CZ3-CD2 4.35Å; W15-Y24 HydrophobicContact CZ3-CG 4.44Å; W15-F25 HydrophobicContact CD2-CE2 4.43Å; W15-F25 AromaticContact CE3-CE2 3.79Å; W15-F25 HydrophobicContact CE3-CE2 3.79Å; W15-F25 HydrophobicContact CZ3-CE2 4.1Å; W15-P98 HydrophobicContact CE3-CB 4.46Å; W15-P98 HydrophobicContact CZ3-CB 3.75Å; W15-K100 HydrophobicContact CD2-CB 3.54Å; W15-K100 HydrophobicContact CD2-CD 4.33Å; W15-K100 HydrophobicContact CE3-CB 3.77Å; W15-K100 HydrophobicContact CG-CB 3.97Å; W15-K100 HydrophobicContact CH2-CB 4.24Å; W15-K100 HydrophobicContact CZ2-CB 4.05Å; W15-K100 HydrophobicContact CZ2-CD 4.03Å; W15-K100 HydrophobicContact CZ3-CB 4.1Å; W15-V107 HydrophobicContact CH2-CB 4.2Å; W15-V107 HydrophobicContact CH2-CG1 3.54Å; W15-V107 HydrophobicContact CH2-CG2 3.52Å; W15-V107 HydrophobicContact CZ2-CG2 3.91Å; W15-V107 HydrophobicContact CZ3-CG1 3.76Å; W15-V107 HydrophobicContact CZ3-CG2 4.32Å
16H86.5Confident81.8Confident30 Ų3077.3 Ų77.314%0.13938%0.381CS..G310 helixtrans-53.9-19.4170.771.1-84.6000114.6D14 F25 W97 L212 A216D14-H16 PolarHBondContact O-N 2.99Å; D14-H16 IonicContact OD1-CE1 2.73Å; D14-H16 PolarHBondContact OD1-CE1 2.85Å; H16-F25 VanDerWaalsContact CA-CE2 3.47Å; H16-F25 HydrophobicContact CB-CD1 4.23Å; H16-F25 HydrophobicContact CB-CD2 4.33Å; H16-F25 HydrophobicContact CB-CE1 3.67Å; H16-F25 HydrophobicContact CB-CE2 3.83Å; H16-F25 HydrophobicContact CB-CZ 3.47Å; H16-F25 VanDerWaalsContact CB-CZ 3.47Å; H16-W97 HydrophobicContact CB-CH2 4.23Å; H16-W97 HydrophobicContact CB-CZ2 4.4Å; H16-L212 HydrophobicContact CB-CD1 4.28Å; H16-A216 WeakPolarHBondContact CE1-CB 3.36Å
17R87.4Confident83.9Confident179 Ų17975.5 Ų75.568%0.67536%0.363SS*.G310 helixtrans-91.7-14176.3-54-173.7179.1-173.5-2.5113.3D14 W15D14-R17 HydrophobicContact CB-CG 4.3Å; D14-R17 WeakPolarHBondContact O-CB 3.01Å; D14-R17 PolarHBondContact O-N 3.05Å; W15-R17 PolarHBondContact O-N 2.7Å
18C87.7Confident85.3Confident47 Ų4769.8 Ų69.832%0.31833%0.326SS..SBendtrans-77.2152.8-176.9-60.80000112W15 D20 S21W15-C18 WeakPolarHBondContact O-CB 3.36Å; W15-C18 PolarHBondContact O-N 3.01Å; C18-D20 VanDerWaalsContact C-N 3.33Å; C18-D20 WeakPolarHBondContact CB-OD1 3.38Å; C18-D20 PolarHBondContact O-N 3Å; C18-S21 PolarHBondContact O-N 3.16Å; C18-S21 PolarHBondContact O-OG 3.08Å
19K86.9Confident86.2Confident185 Ų18561.1 Ų61.180%0.80430%0.296SS*.G310 helixtrans-68.6-33.8179.9-67.8-176.7-178.7177.60112.5S21 K22K19-S21 VanDerWaalsContact C-N 3.26Å; K19-S21 PolarHBondContact O-N 3.16Å; K19-K22 WeakPolarHBondContact O-CG 3.31Å
20D88Confident86Confident76 Ų7664.4 Ų64.441%0.40630%0.304SS..G310 helixtrans-74.5-14-178.867.7-32.2000113.1W15 C18 K100W15-D20 PolarHBondContact NE1-OD1 3.46Å; W15-D20 VanDerWaalsContact NE1-OD1 3.08Å; W15-D20 PolarHBondContact NE1-OD2 2.98Å; C18-D20 VanDerWaalsContact C-N 3.33Å; C18-D20 WeakPolarHBondContact CB-OD1 3.38Å; C18-D20 PolarHBondContact O-N 3Å; D20-K100 IonicContact OD2-NZ 2.67Å; D20-K100 PolarHBondContact OD2-NZ 3.09Å
21S86.6Confident84.9Confident1 Ų168.8 Ų68.81%0.00733%0.325CS..G310 helixtrans-86.1-16.8178.376.70000113.5W15 C18 K19 E23 Y24 F25W15-S21 WeakPolarHBondContact O-CB 3.37Å; W15-S21 PolarHBondContact O-OG 3.37Å; C18-S21 PolarHBondContact O-N 3.16Å; C18-S21 PolarHBondContact O-OG 3.08Å; K19-S21 VanDerWaalsContact C-N 3.26Å; K19-S21 PolarHBondContact O-N 3.16Å; S21-E23 VanDerWaalsContact C-N 3.27Å; S21-E23 PolarHBondContact O-N 2.88Å; S21-E23 VanDerWaalsContact O-N 3.16Å; S21-Y24 PolarHBondContact O-N 3.43Å; S21-F25 WeakPolarHBondContact O-CD2 3.42Å; S21-F25 PolarHBondContact O-N 3.46Å
22K86Confident83.9Confident129 Ų12975.6 Ų75.656%0.56135%0.354SS*.Hα-helixtrans-54-40.6-172.8-72.8-176.8175.3-174.10113.2K19 Y24 F25 N26K19-K22 WeakPolarHBondContact O-CG 3.31Å; K22-Y24 VanDerWaalsContact C-N 3.28Å; K22-Y24 PolarHBondContact O-N 3.17Å; K22-F25 PolarHBondContact O-N 3.4Å; K22-N26 WeakPolarHBondContact O-CB 3.48Å; K22-N26 PolarHBondContact O-N 3.13Å; K22-N26 PolarHBondContact O-ND2 3.36Å; K22-N26 PolarHBondContact O-OD1 3.4Å
23E87.1Confident83Confident85 Ų8578.8 Ų78.840%0.39737%0.37SS..Hα-helixtrans-58.9-40.9179.7-174.3176.1173.700112.2S21S21-E23 VanDerWaalsContact C-N 3.27Å; S21-E23 PolarHBondContact O-N 2.88Å; S21-E23 VanDerWaalsContact O-N 3.16Å
24Y88.1Confident82.8Confident41 Ų4177.1 Ų77.116%0.16136%0.356CS..Hα-helixtrans-76.9-45.5-179.8-53.8-87.6000111.6W15 S21 K22 N26 K27 M45 V51 V107 F109W15-Y24 HydrophobicContact CH2-CD1 4.46Å; W15-Y24 AromaticContact CH2-CD2 3.29Å; W15-Y24 HydrophobicContact CH2-CD2 3.29Å; W15-Y24 AromaticContact CH2-CE2 3.69Å; W15-Y24 HydrophobicContact CH2-CE2 3.69Å; W15-Y24 AromaticContact CH2-CG 3.72Å; W15-Y24 HydrophobicContact CH2-CG 3.72Å; W15-Y24 AromaticContact CZ2-CD2 3.73Å; W15-Y24 HydrophobicContact CZ2-CD2 3.73Å; W15-Y24 AromaticContact CZ2-CE2 3.87Å; W15-Y24 HydrophobicContact CZ2-CE2 3.87Å; W15-Y24 HydrophobicContact CZ3-CD2 4.35Å; W15-Y24 HydrophobicContact CZ3-CG 4.44Å; S21-Y24 PolarHBondContact O-N 3.43Å; K22-Y24 VanDerWaalsContact C-N 3.28Å; K22-Y24 PolarHBondContact O-N 3.17Å; Y24-N26 VanDerWaalsContact C-N 3.33Å; Y24-N26 PolarHBondContact O-N 3.15Å; Y24-K27 WeakPolarHBondContact O-CB 3.18Å; Y24-K27 PolarHBondContact O-N 2.9Å; Y24-K27 VanDerWaalsContact O-N 3.08Å; Y24-M45 HydrophobicContact CD1-CE 3.46Å; Y24-M45 VanDerWaalsContact CD1-CE 3.46Å; Y24-M45 HydrophobicContact CD1-SD 4.1Å; Y24-M45 HydrophobicContact CE1-CE 3.49Å; Y24-M45 VanDerWaalsContact CE1-CE 3.49Å; Y24-M45 HydrophobicContact CG-CE 4.4Å; Y24-V51 HydrophobicContact CD1-CG2 3.9Å; Y24-V51 HydrophobicContact CE1-CG2 3.49Å; Y24-V51 VanDerWaalsContact CE1-CG2 3.49Å; Y24-V107 HydrophobicContact CD1-CB 4.45Å; Y24-V107 HydrophobicContact CD1-CG1 3.67Å; Y24-V107 HydrophobicContact CE1-CB 3.93Å; Y24-V107 HydrophobicContact CE1-CG1 3.64Å; Y24-V107 HydrophobicContact CE1-CG2 4.14Å; Y24-V107 HydrophobicContact CE2-CG2 4.07Å; Y24-V107 HydrophobicContact CG-CG1 4.13Å; Y24-F109 HydrophobicContact CD1-CE2 4.39Å
25F86.1Confident82.4Confident8 Ų877.5 Ų77.54%0.03535%0.354CS..Hα-helixtrans-69.4-29.2-179.5-78.6-81.7000112.9W15 H16 S21 K22 K27 I28 I29 W97 P98 L212W15-F25 HydrophobicContact CD2-CE2 4.43Å; W15-F25 AromaticContact CE3-CE2 3.79Å; W15-F25 HydrophobicContact CE3-CE2 3.79Å; W15-F25 HydrophobicContact CZ3-CE2 4.1Å; H16-F25 VanDerWaalsContact CA-CE2 3.47Å; H16-F25 HydrophobicContact CB-CD1 4.23Å; H16-F25 HydrophobicContact CB-CD2 4.33Å; H16-F25 HydrophobicContact CB-CE1 3.67Å; H16-F25 HydrophobicContact CB-CE2 3.83Å; H16-F25 HydrophobicContact CB-CZ 3.47Å; H16-F25 VanDerWaalsContact CB-CZ 3.47Å; S21-F25 WeakPolarHBondContact O-CD2 3.42Å; S21-F25 PolarHBondContact O-N 3.46Å; K22-F25 PolarHBondContact O-N 3.4Å; F25-K27 PolarHBondContact O-N 3.2Å; F25-K27 VanDerWaalsContact O-N 3.16Å; F25-I28 HydrophobicContact CD1-CD1 3.8Å; F25-I28 HydrophobicContact CD1-CG1 4.19Å; F25-I28 HydrophobicContact CE1-CD1 4.14Å; F25-I28 VanDerWaalsContact O-CG1 3.31Å; F25-I28 WeakPolarHBondContact O-CG1 3.48Å; F25-I28 PolarHBondContact O-N 2.97Å; F25-I28 VanDerWaalsContact O-N 3.09Å; F25-I29 HydrophobicContact CB-CD1 4.37Å; F25-I29 WeakPolarHBondContact O-CB 3.39Å; F25-I29 WeakPolarHBondContact O-CG1 3.5Å; F25-I29 PolarHBondContact O-N 3.25Å; F25-W97 HydrophobicContact CD1-CZ3 4.44Å; F25-W97 HydrophobicContact CE1-CD2 4.28Å; F25-W97 AromaticContact CE1-CE3 3.82Å; F25-W97 HydrophobicContact CE1-CE3 3.82Å; F25-W97 AromaticContact CE1-CH2 3.79Å; F25-W97 HydrophobicContact CE1-CH2 3.79Å; F25-W97 HydrophobicContact CE1-CZ2 4.18Å; F25-W97 AromaticContact CE1-CZ3 3.59Å; F25-W97 HydrophobicContact CE1-CZ3 3.59Å; F25-W97 HydrophobicContact CZ-CH2 4.37Å; F25-W97 HydrophobicContact CZ-CZ2 4.33Å; F25-W97 HydrophobicContact CZ-CZ3 4.48Å; F25-P98 HydrophobicContact CD1-CG 3.98Å; F25-P98 HydrophobicContact CD2-CB 4.36Å; F25-P98 HydrophobicContact CD2-CG 4.19Å; F25-P98 HydrophobicContact CE1-CB 4.43Å; F25-P98 HydrophobicContact CE1-CG 3.88Å; F25-P98 HydrophobicContact CE2-CB 3.91Å; F25-P98 HydrophobicContact CE2-CG 4.06Å; F25-P98 HydrophobicContact CG-CG 4.16Å; F25-P98 HydrophobicContact CZ-CB 3.95Å; F25-P98 HydrophobicContact CZ-CG 3.91Å; F25-P98 WeakPolarHBondContact CZ-O 3.01Å; F25-L212 HydrophobicContact CD1-CD1 3.29Å; F25-L212 HydrophobicContact CE1-CD1 3.63Å; F25-L212 HydrophobicContact CG-CD1 4.27Å
26N85.8Confident81.7Confident103 Ų10382.4 Ų82.455%0.55138%0.381SS*.Hα-helixtrans-62.7-17.7171.1-75-16.6000113.2K22 Y24K22-N26 WeakPolarHBondContact O-CB 3.48Å; K22-N26 PolarHBondContact O-N 3.13Å; K22-N26 PolarHBondContact O-ND2 3.36Å; K22-N26 PolarHBondContact O-OD1 3.4Å; Y24-N26 VanDerWaalsContact C-N 3.33Å; Y24-N26 PolarHBondContact O-N 3.15Å
27K84.8Confident81.2Confident61 Ų6182.2 Ų82.227%0.26538%0.379SS..Hα-helixtrans-75.4-34.4173.9-60.1-59.9-176160.70112.2Y24 F25 K35 P43 V44 M45Y24-K27 WeakPolarHBondContact O-CB 3.18Å; Y24-K27 PolarHBondContact O-N 2.9Å; Y24-K27 VanDerWaalsContact O-N 3.08Å; F25-K27 PolarHBondContact O-N 3.2Å; F25-K27 VanDerWaalsContact O-N 3.16Å; K27-K35 WeakPolarHBondContact O-CD 3.16Å; K27-K35 WeakPolarHBondContact O-CE 3.22Å; K27-K35 PolarHBondContact O-NZ 3.02Å; K27-P43 HydrophobicContact CB-CB 3.86Å; K27-V44 WeakPolarHBondContact CE-O 3.24Å; K27-V44 PolarHBondContact NZ-O 2.85Å; K27-V44 VanDerWaalsContact NZ-O 3.13Å; K27-M45 HydrophobicContact CG-SD 3.75Å
28I83.1Confident80.6Confident2 Ų275.1 Ų75.11%0.0136%0.362CS..Hα-helixtrans-98-5.1-17964.4157.3000113.7F25 R34 K35 F37 P43 W97 P98 F109F25-I28 HydrophobicContact CD1-CD1 3.8Å; F25-I28 HydrophobicContact CD1-CG1 4.19Å; F25-I28 HydrophobicContact CE1-CD1 4.14Å; F25-I28 VanDerWaalsContact O-CG1 3.31Å; F25-I28 WeakPolarHBondContact O-CG1 3.48Å; F25-I28 PolarHBondContact O-N 2.97Å; F25-I28 VanDerWaalsContact O-N 3.09Å; I28-R34 CarbonylContact O-C 3.55Å; I28-R34 WeakPolarHBondContact O-CA 3.45Å; I28-K35 PolarHBondContact O-N 2.95Å; I28-F37 HydrophobicContact CB-CE2 4.15Å; I28-F37 HydrophobicContact CB-CZ 4.5Å; I28-F37 HydrophobicContact CG2-CE2 3.96Å; I28-F37 HydrophobicContact CG2-CZ 4.09Å; I28-P43 HydrophobicContact CG2-CB 4.19Å; I28-P43 HydrophobicContact CG2-CG 4.32Å; I28-W97 HydrophobicContact CD1-CE3 4.19Å; I28-W97 HydrophobicContact CD1-CZ3 4.49Å; I28-P98 HydrophobicContact CD1-CG 4.19Å; I28-P98 HydrophobicContact CG1-CG 4.45Å; I28-F109 HydrophobicContact CG2-CE1 4.01Å
29I81.8Confident79.7Confident39 Ų3978.1 Ų78.120%0.237%0.374CS..EExtended strand (participates in β ladder)trans-113.6138.9175.4-60.1172.3000110.1F25 N33 K35 L212F25-I29 HydrophobicContact CB-CD1 4.37Å; F25-I29 WeakPolarHBondContact O-CB 3.39Å; F25-I29 WeakPolarHBondContact O-CG1 3.5Å; F25-I29 PolarHBondContact O-N 3.25Å; I29-N33 CarbonylContact C-O 3.32Å; I29-N33 VanDerWaalsContact CA-O 3.29Å; I29-N33 WeakPolarHBondContact CA-O 3.28Å; I29-N33 WeakPolarHBondContact CG2-O 3.38Å; I29-K35 WeakPolarHBondContact O-CE 3.45Å; I29-L212 HydrophobicContact CD1-CD1 3.81Å; I29-L212 HydrophobicContact CD1-CG 4.05Å
30H75.3Confident79Confident107 Ų10777.6 Ų77.650%0.49538%0.379SS..EExtended strand (participates in β ladder)trans-132.3124.9167.2-173.170.4000110.2K32 N33 K35H30-K32 VanDerWaalsContact C-N 3.3Å; H30-K32 PolarHBondContact O-N 3.46Å; H30-N33 PolarHBondContact N-O 2.85Å; H30-N33 PolarHBondContact O-N 2.81Å; H30-N33 VanDerWaalsContact O-O 3.08Å; H30-K35 HydrophobicContact CB-CD 4.24Å; H30-K35 HydrophobicContact CB-CG 3.59Å
31K64.1Low78.5Confident172 Ų17279.1 Ų79.175%0.74838%0.384SS*.THydrogen-bonded Turntrans48.348.2178.5-63.4178.3-179.9178.20113.2N33K31-N33 PolarHBondContact O-N 2.92Å
32K68.6Low78.2Confident150 Ų15082.1 Ų82.165%0.65241%0.405SS*.THydrogen-bonded Turntrans70.5-8.5-176.9-53.4179176.1-178.50116.5H30H30-K32 VanDerWaalsContact C-N 3.3Å; H30-K32 PolarHBondContact O-N 3.46Å
33N71.3Confident77.9Confident103 Ų10376.7 Ų76.755%0.55138%0.383SS*.EExtended strand (participates in β ladder)trans-97.6154174.8-65.1-28.9000111.1I29 H30 K31I29-N33 CarbonylContact C-O 3.32Å; I29-N33 VanDerWaalsContact CA-O 3.29Å; I29-N33 WeakPolarHBondContact CA-O 3.28Å; I29-N33 WeakPolarHBondContact CG2-O 3.38Å; H30-N33 PolarHBondContact N-O 2.85Å; H30-N33 PolarHBondContact O-N 2.81Å; H30-N33 VanDerWaalsContact O-O 3.08Å; K31-N33 PolarHBondContact O-N 2.92Å
34R78.8Confident77.5Confident28 Ų2877.9 Ų77.911%0.10640%0.396CS..EExtended strand (participates in β ladder)trans-65.6138.1169.2-99.8177164.2-110-3.7109.9I28 L75 V95 Y96 L212I28-R34 CarbonylContact O-C 3.55Å; I28-R34 WeakPolarHBondContact O-CA 3.45Å; R34-L75 PolarHBondContact NH1-O 2.81Å; R34-V95 VanDerWaalsContact NH1-CG1 3.32Å; R34-Y96 PolarHBondContact NH2-O 2.72Å; R34-L212 HydrophobicContact CG-CD2 3.96Å
35K78.3Confident77.1Confident75 Ų7577 Ų7733%0.32639%0.394SS..PPolyproline II helixtrans-70.6133.5170.3-72.8-171.1-166.9161.20108.9K27 I28 I29 H30 F37K27-K35 WeakPolarHBondContact O-CD 3.16Å; K27-K35 WeakPolarHBondContact O-CE 3.22Å; K27-K35 PolarHBondContact O-NZ 3.02Å; I28-K35 PolarHBondContact O-N 2.95Å; I29-K35 WeakPolarHBondContact O-CE 3.45Å; H30-K35 HydrophobicContact CB-CD 4.24Å; H30-K35 HydrophobicContact CB-CG 3.59Å; K35-F37 HydrophobicContact CB-CD2 4.32Å; K35-F37 HydrophobicContact CB-CE2 3.78Å; K35-F37 HydrophobicContact CB-CZ 4.06Å; K35-F37 HydrophobicContact CD-CZ 4.39Å; K35-F37 WeakPolarHBondContact O-CD2 3.29Å
36N74.6Confident76.5Confident110 Ų11077.7 Ų77.759%0.58840%0.399SS*.PPolyproline II helixtrans-75125.8165.4-171.94000108.1L78N36-L78 HydrophobicContact CB-CD2 3.99Å; N36-L78 WeakPolarHBondContact ND2-CD2 3.37Å; N36-L78 WeakPolarHBondContact OD1-CD2 3.17Å
37F76Confident75.6Confident25 Ų2578.8 Ų78.811%0.1141%0.411CS..  trans-108.5123.3172.4-67.6-88.4000108I28 K35 E41 P43 Y96I28-F37 HydrophobicContact CB-CE2 4.15Å; I28-F37 HydrophobicContact CB-CZ 4.5Å; I28-F37 HydrophobicContact CG2-CE2 3.96Å; I28-F37 HydrophobicContact CG2-CZ 4.09Å; K35-F37 HydrophobicContact CB-CD2 4.32Å; K35-F37 HydrophobicContact CB-CE2 3.78Å; K35-F37 HydrophobicContact CB-CZ 4.06Å; K35-F37 HydrophobicContact CD-CZ 4.39Å; K35-F37 WeakPolarHBondContact O-CD2 3.29Å; F37-E41 WeakPolarHBondContact CA-OE2 3.16Å; F37-E41 HydrophobicContact CB-CB 4.2Å; F37-E41 HydrophobicContact CD1-CB 4.1Å; F37-P43 HydrophobicContact CE1-CB 4.16Å; F37-P43 HydrophobicContact CZ-CB 4.03Å; F37-Y96 HydrophobicContact CB-CD2 4.07Å; F37-Y96 HydrophobicContact CB-CE2 3.75Å; F37-Y96 HydrophobicContact CD1-CD2 4.25Å; F37-Y96 HydrophobicContact CD1-CE2 4.11Å; F37-Y96 AromaticContact CD2-CD2 3.65Å; F37-Y96 HydrophobicContact CD2-CD2 3.65Å; F37-Y96 HydrophobicContact CD2-CE2 4.18Å; F37-Y96 HydrophobicContact CE2-CD2 4.09Å; F37-Y96 AromaticContact CG-CD2 3.72Å; F37-Y96 HydrophobicContact CG-CD2 3.72Å; F37-Y96 AromaticContact CG-CE2 3.75Å; F37-Y96 HydrophobicContact CG-CE2 3.75Å
38G73.1Confident74.9Confident30 Ų3084.9 Ų84.931%0.30943%0.434SS..  trans-60.5167.3165.900000112.1L40 E41G38-L40 PolarHBondContact O-N 3.46Å; G38-L40 VanDerWaalsContact O-N 3.09Å; G38-E41 PolarHBondContact N-OE2 3.25Å; G38-E41 PolarHBondContact O-N 2.93Å
39L69.6Low74.3Confident111 Ų11185.5 Ų85.558%0.58144%0.44SS*.THydrogen-bonded Turntrans-55.5-32.5-177.7-71.9168.5000113.9T92 V94 R111L39-T92 HydrophobicContact CD2-CG2 4.43Å; L39-V94 HydrophobicContact CD2-CG2 4.01Å; L39-R111 PolarHBondContact O-NH2 3.29Å
40L73Confident73.9Confident173 Ų17387.6 Ų87.691%0.90646%0.463SS*.THydrogen-bonded Turntrans-98.3-6.7-179.9-57.1179.5000113.2G38G38-L40 PolarHBondContact O-N 3.46Å; G38-L40 VanDerWaalsContact O-N 3.09Å
41E76.6Confident74.3Confident108 Ų10883.6 Ų83.651%0.50545%0.446SS..  trans-87.7143-178.8-61.2-177.6160.800110.3F37 G38 Y96F37-E41 WeakPolarHBondContact CA-OE2 3.16Å; F37-E41 HydrophobicContact CB-CB 4.2Å; F37-E41 HydrophobicContact CD1-CB 4.1Å; G38-E41 PolarHBondContact N-OE2 3.25Å; G38-E41 PolarHBondContact O-N 2.93Å; E41-Y96 WeakPolarHBondContact O-CE2 3.34Å; E41-Y96 PolarHBondContact O-OH 3.29Å
42S80.6Confident75.4Confident65 Ų6579.2 Ų79.246%0.45543%0.431SS..  trans-140.4151.9178.258.50000111.2V44 Y96S42-V44 PolarHBondContact O-N 2.82Å; S42-V44 VanDerWaalsContact O-N 3.16Å; S42-Y96 WeakPolarHBondContact CA-OH 3.08Å; S42-Y96 WeakPolarHBondContact CB-OH 3.49Å
43P80.3Confident76.5Confident14 Ų1475 Ų759%0.09142%0.417CS..  trans-66.6112.5173.225.6-31.4000110K27 I28 F37 M45 Y96 F109K27-P43 HydrophobicContact CB-CB 3.86Å; I28-P43 HydrophobicContact CG2-CB 4.19Å; I28-P43 HydrophobicContact CG2-CG 4.32Å; F37-P43 HydrophobicContact CE1-CB 4.16Å; F37-P43 HydrophobicContact CZ-CB 4.03Å; P43-M45 PolarHBondContact O-N 2.81Å; P43-Y96 VanDerWaalsContact CD-CD1 3.46Å; P43-Y96 VanDerWaalsContact CD-CE1 3.49Å; P43-Y96 HydrophobicContact CG-CD1 3.75Å; P43-Y96 HydrophobicContact CG-CD2 4.41Å; P43-Y96 HydrophobicContact CG-CE1 4.23Å; P43-Y96 HydrophobicContact CG-CG 3.84Å; P43-F109 HydrophobicContact CB-CE1 4.04Å; P43-F109 HydrophobicContact CB-CZ 4.19Å; P43-F109 HydrophobicContact CG-CD1 3.76Å; P43-F109 HydrophobicContact CG-CE1 3.65Å; P43-F109 HydrophobicContact CG-CG 4.29Å; P43-F109 HydrophobicContact CG-CZ 4.15Å
44V77.7Confident77.5Confident110 Ų11072.3 Ų72.367%0.66740%0.403SS*.PPolyproline II helixtrans-84.1117.7178.7-175.60000110.6K27 S42K27-V44 WeakPolarHBondContact CE-O 3.24Å; K27-V44 PolarHBondContact NZ-O 2.85Å; K27-V44 VanDerWaalsContact NZ-O 3.13Å; S42-V44 PolarHBondContact O-N 2.82Å; S42-V44 VanDerWaalsContact O-N 3.16Å
45M79.4Confident78.2Confident24 Ų2475.4 Ų75.412%0.11842%0.421CS..PPolyproline II helixtrans-86.3148.9170.7-68.8-60.8-67.800111.2Y24 K27 P43 A49 V51 F109Y24-M45 HydrophobicContact CD1-CE 3.46Å; Y24-M45 VanDerWaalsContact CD1-CE 3.46Å; Y24-M45 HydrophobicContact CD1-SD 4.1Å; Y24-M45 HydrophobicContact CE1-CE 3.49Å; Y24-M45 VanDerWaalsContact CE1-CE 3.49Å; Y24-M45 HydrophobicContact CG-CE 4.4Å; K27-M45 HydrophobicContact CG-SD 3.75Å; P43-M45 PolarHBondContact O-N 2.81Å; M45-A49 WeakPolarHBondContact CB-O 3.4Å; M45-A49 HydrophobicContact CE-CB 3.89Å; M45-V51 HydrophobicContact CE-CG2 4.17Å; M45-V51 HydrophobicContact CG-CB 4.2Å; M45-V51 HydrophobicContact CG-CG2 3.99Å; M45-F109 HydrophobicContact CG-CD2 4.5Å; M45-F109 HydrophobicContact CG-CE2 3.7Å; M45-F109 HydrophobicContact CG-CZ 4.5Å; M45-F109 HydrophobicContact SD-CE2 3.86Å; M45-F109 HydrophobicContact SD-CZ 4.19Å
46P72.9Confident79Confident22 Ų2272.1 Ų72.114%0.14341%0.407CS..PPolyproline II helixtrans-58.2150.6169.5-19.431.6000111.5Y48 A49 A50P46-Y48 HydrophobicContact CB-CD1 3.78Å; P46-Y48 HydrophobicContact CB-CD2 4.24Å; P46-Y48 HydrophobicContact CB-CE1 3.28Å; P46-Y48 HydrophobicContact CB-CE2 3.78Å; P46-Y48 HydrophobicContact CB-CG 4.24Å; P46-Y48 HydrophobicContact CG-CE1 4.13Å; P46-Y48 HydrophobicContact CG-CE2 4.07Å; P46-Y48 WeakPolarHBondContact CG-OH 3.28Å; P46-Y48 PolarHBondContact O-N 3.37Å; P46-Y48 VanDerWaalsContact O-N 3.15Å; P46-A49 CarbonylContact O-C 3.5Å; P46-A49 VanDerWaalsContact O-C 3.27Å; P46-A49 WeakPolarHBondContact O-CA 3.45Å; P46-A49 PolarHBondContact O-N 2.84Å; P46-A50 PolarHBondContact O-N 2.84Å
47P68.6Low79.9Confident125 Ų12568 Ų6881%0.81238%0.384SS*.G310 helixtrans-58.1-32.2-176.2-2533.6000114.4A49P47-A49 PolarHBondContact O-N 3.39Å
48Y69.8Low80.8Confident189 Ų18966.8 Ų66.874%0.74138%0.378SS*.G310 helixtrans-74.1-13.2177.156.9-101.2000113.8P46P46-Y48 HydrophobicContact CB-CD1 3.78Å; P46-Y48 HydrophobicContact CB-CD2 4.24Å; P46-Y48 HydrophobicContact CB-CE1 3.28Å; P46-Y48 HydrophobicContact CB-CE2 3.78Å; P46-Y48 HydrophobicContact CB-CG 4.24Å; P46-Y48 HydrophobicContact CG-CE1 4.13Å; P46-Y48 HydrophobicContact CG-CE2 4.07Å; P46-Y48 WeakPolarHBondContact CG-OH 3.28Å; P46-Y48 PolarHBondContact O-N 3.37Å; P46-Y48 VanDerWaalsContact O-N 3.15Å
49A69.9Low81.9Confident16 Ų1665.4 Ų65.413%0.13236%0.364CS..G310 helixtrans-127.133.3-179.700000110.3M45 P46 P47 V51M45-A49 WeakPolarHBondContact CB-O 3.4Å; M45-A49 HydrophobicContact CE-CB 3.89Å; P46-A49 CarbonylContact O-C 3.5Å; P46-A49 VanDerWaalsContact O-C 3.27Å; P46-A49 WeakPolarHBondContact O-CA 3.45Å; P46-A49 PolarHBondContact O-N 2.84Å; P47-A49 PolarHBondContact O-N 3.39Å; A49-V51 WeakPolarHBondContact O-CG2 3.47Å; A49-V51 PolarHBondContact O-N 3.01Å
50A72.6Confident83Confident82 Ų8260.2 Ų60.268%0.67834%0.337SS*.  trans-53.5126.1176.500000109.6P46P46-A50 PolarHBondContact O-N 2.84Å
51V84.3Confident84Confident23 Ų2352.4 Ų52.414%0.13930%0.297CS..  trans-116.8130-179.2175.50000108Y24 M45 A49 V107 L108 F109Y24-V51 HydrophobicContact CD1-CG2 3.9Å; Y24-V51 HydrophobicContact CE1-CG2 3.49Å; Y24-V51 VanDerWaalsContact CE1-CG2 3.49Å; M45-V51 HydrophobicContact CE-CG2 4.17Å; M45-V51 HydrophobicContact CG-CB 4.2Å; M45-V51 HydrophobicContact CG-CG2 3.99Å; A49-V51 WeakPolarHBondContact O-CG2 3.47Å; A49-V51 PolarHBondContact O-N 3.01Å; V51-V107 HydrophobicContact CG1-CG1 4.17Å; V51-V107 WeakPolarHBondContact CG1-O 3.44Å; V51-V107 HydrophobicContact CG2-CB 4.42Å; V51-V107 HydrophobicContact CG2-CG1 4.28Å; V51-L108 VanDerWaalsContact CG1-CA 3.49Å; V51-F109 HydrophobicContact CB-CD2 3.67Å; V51-F109 HydrophobicContact CB-CE2 3.99Å; V51-F109 HydrophobicContact CG1-CB 4.38Å; V51-F109 HydrophobicContact CG1-CD2 3.37Å; V51-F109 HydrophobicContact CG1-CE2 4.01Å; V51-F109 HydrophobicContact CG1-CG 4.25Å; V51-F109 HydrophobicContact CG2-CD2 4.33Å; V51-F109 HydrophobicContact CG2-CE2 4.2Å
52D88.2Confident84.7Confident81 Ų8147.9 Ų47.943%0.43328%0.279SS..EExtended strand (participates in β ladder)trans-68.3138.1175.7-53.6-78000110.7R106 L108 F109D52-R106 IonicContact OD1-NH2 2.61Å; D52-R106 IonicContact OD2-CZ 3.38Å; D52-R106 VanDerWaalsContact OD2-CZ 3.3Å; D52-R106 IonicContact OD2-NE 3.8Å; D52-R106 PolarHBondContact OD2-NE 3.08Å; D52-R106 IonicContact OD2-NH2 3.3Å; D52-R106 PolarHBondContact OD2-NH2 3.2Å; D52-L108 HydrophobicContact CB-CD2 3.87Å; D52-L108 WeakPolarHBondContact O-CA 3.49Å; D52-F109 PolarHBondContact O-N 3.35Å
53T90.3Very high85.2Confident61 Ų6147 Ų4737%0.37427%0.267SS..EExtended strand (participates in β ladder)trans-104.8130.7177.2-57.60000109.2Y96 F109 R111T53-Y96 HydrophobicContact CG2-CE1 4.37Å; T53-F109 CarbonylContact C-O 3.51Å; T53-F109 VanDerWaalsContact CA-O 3.24Å; T53-F109 WeakPolarHBondContact CA-O 3.37Å; T53-F109 HydrophobicContact CG2-CB 4.25Å; T53-R111 HydrophobicContact CG2-CB 3.69Å
54L92.6Very high85.7Confident47 Ų4748.3 Ų48.325%0.24628%0.276CS..EExtended strand (participates in β ladder)trans-110.3127.9175.5-60.2178.9000109.2Y56 L108 F109 F110 R111 W227L54-Y56 HydrophobicContact CB-CD2 4.36Å; L54-Y56 HydrophobicContact CB-CE2 3.57Å; L54-Y56 HydrophobicContact CD1-CE2 4.4Å; L54-Y56 WeakPolarHBondContact CD1-OH 3.41Å; L54-L108 HydrophobicContact CD1-CD1 3.85Å; L54-F109 PolarHBondContact N-O 2.88Å; L54-F110 HydrophobicContact CD1-CE1 4.21Å; L54-F110 HydrophobicContact CD1-CZ 4.36Å; L54-R111 PolarHBondContact O-N 3.36Å; L54-W227 HydrophobicContact CD1-CE3 3.87Å; L54-W227 HydrophobicContact CD1-CZ3 3.55Å
55D93.5Very high86.1Confident93 Ų9344.2 Ų44.250%0.49726%0.257SS..EExtended strand (participates in β ladder)trans-91.9128.6179.8-73.7-71.9000110.7R111D55-R111 WeakPolarHBondContact OD1-CD 3.3Å; D55-R111 WeakPolarHBondContact OD1-CG 3.44Å; D55-R111 IonicContact OD1-CZ 3.75Å; D55-R111 IonicContact OD1-NE 3.23Å; D55-R111 IonicContact OD1-NH1 3.53Å; D55-R111 PolarHBondContact OD1-NH1 2.97Å
56Y95.1Very high86.7Confident5 Ų543.1 Ų43.12%0.0225%0.251CS..EExtended strand (participates in β ladder)trans-130.8128.6176.7-63.1-74.4000110.9L54 F110 R111 L112 Q113 D137 L226 D230L54-Y56 HydrophobicContact CB-CD2 4.36Å; L54-Y56 HydrophobicContact CB-CE2 3.57Å; L54-Y56 HydrophobicContact CD1-CE2 4.4Å; L54-Y56 WeakPolarHBondContact CD1-OH 3.41Å; Y56-F110 HydrophobicContact CD2-CB 4.46Å; Y56-F110 AromaticContact CD2-CD2 3.79Å; Y56-F110 HydrophobicContact CD2-CD2 3.79Å; Y56-F110 HydrophobicContact CD2-CE2 4.33Å; Y56-F110 HydrophobicContact CD2-CG 4.33Å; Y56-F110 HydrophobicContact CE2-CB 4.43Å; Y56-F110 AromaticContact CE2-CD2 3.28Å; Y56-F110 HydrophobicContact CE2-CD2 3.28Å; Y56-F110 AromaticContact CE2-CE2 3.44Å; Y56-F110 HydrophobicContact CE2-CE2 3.44Å; Y56-F110 VanDerWaalsContact CE2-CE2 3.44Å; Y56-F110 AromaticContact CE2-CG 3.86Å; Y56-F110 HydrophobicContact CE2-CG 3.86Å; Y56-F110 HydrophobicContact CE2-CZ 4.14Å; Y56-F110 AromaticContact CZ-CE2 3.88Å; Y56-R111 PolarHBondContact N-O 3.32Å; Y56-L112 HydrophobicContact CD2-CD2 3.82Å; Y56-L112 HydrophobicContact CG-CD2 4.27Å; Y56-Q113 PolarHBondContact O-N 3.08Å; Y56-D137 WeakPolarHBondContact CA-OD2 3.32Å; Y56-D137 HydrophobicContact CD1-CB 4.04Å; Y56-L226 HydrophobicContact CD1-CB 4.23Å; Y56-L226 HydrophobicContact CD1-CD1 4.09Å; Y56-L226 HydrophobicContact CD1-CD2 3.68Å; Y56-L226 HydrophobicContact CD1-CG 4.22Å; Y56-L226 HydrophobicContact CD2-CD1 4.03Å; Y56-L226 HydrophobicContact CE1-CB 3.95Å; Y56-L226 HydrophobicContact CE1-CD2 4.13Å; Y56-L226 HydrophobicContact CE1-CG 4.44Å; Y56-L226 HydrophobicContact CE2-CB 4.49Å; Y56-L226 HydrophobicContact CG-CD1 3.77Å; Y56-L226 HydrophobicContact CG-CD2 4.16Å; Y56-L226 HydrophobicContact CG-CG 4.4Å; Y56-D230 VanDerWaalsContact CE1-OD2 3.25Å; Y56-D230 WeakPolarHBondContact CE1-OD2 2.98Å; Y56-D230 VanDerWaalsContact CZ-OD2 3.29Å; Y56-D230 PolarHBondContact OH-OD2 3.22Å
57K94.5Very high87.6Confident23 Ų2343 Ų4310%0.125%0.254CS..EExtended strand (participates in β ladder)trans-90.5119172.6-175.1177.7176.4-178.60109.9W115 S131 E134 Q135 V136 D137 A138K57-W115 HydrophobicContact CD-CZ2 4.35Å; K57-W115 HydrophobicContact CG-CG 4.34Å; K57-S131 PolarHBondContact NZ-O 2.95Å; K57-E134 PolarHBondContact NZ-O 2.86Å; K57-Q135 WeakPolarHBondContact CB-O 3.38Å; K57-V136 HydrophobicContact CB-CG2 4.49Å; K57-V136 HydrophobicContact CD-CG2 3.93Å; K57-V136 HydrophobicContact CG-CG2 3.8Å; K57-D137 PolarHBondContact N-OD2 3.5Å; K57-D137 PolarHBondContact O-N 3.2Å; K57-A138 PolarHBondContact O-N 2.85Å
58I95.3Very high88.7Confident0 Ų037.5 Ų37.50%022%0.217CC..EExtended strand (participates in β ladder)trans-117117.4-179.7-51-169.6000109.5L112 Q113 L114 W115 A138 L140 L222 L226I58-L112 HydrophobicContact CD1-CB 3.91Å; I58-L112 HydrophobicContact CD1-CD1 4.03Å; I58-L112 HydrophobicContact CD1-CD2 4.03Å; I58-L112 HydrophobicContact CD1-CG 4.2Å; I58-Q113 PolarHBondContact N-O 2.81Å; I58-L114 HydrophobicContact CB-CD2 3.92Å; I58-L114 HydrophobicContact CD1-CD2 4.01Å; I58-L114 HydrophobicContact CG1-CD2 4.38Å; I58-L114 HydrophobicContact CG2-CD2 4.14Å; I58-W115 PolarHBondContact O-N 3.21Å; I58-A138 CarbonylContact C-O 3.53Å; I58-A138 WeakPolarHBondContact CA-O 3.29Å; I58-A138 HydrophobicContact CG1-CB 4.17Å; I58-A138 HydrophobicContact CG2-CB 4.19Å; I58-L140 HydrophobicContact CG2-CD1 3.99Å; I58-L140 HydrophobicContact CG2-CG 3.7Å; I58-L222 HydrophobicContact CD1-CD1 3.8Å; I58-L222 HydrophobicContact CD1-CD2 4.04Å; I58-L222 HydrophobicContact CD1-CG 4.42Å; I58-L226 HydrophobicContact CD1-CD1 4.43Å
59F94.4Very high89.7Confident2 Ų230.1 Ų30.11%0.00919%0.192CC..EExtended strand (participates in β ladder)trans-90.8135.6173.9-178.7-102.9000111.9W115 C117 L122 C132 V136 A138 V139 L140 W161F59-W115 HydrophobicContact CD2-CB 4.18Å; F59-C117 HydrophobicContact CE2-CB 4.16Å; F59-L122 HydrophobicContact CZ-CD1 3.91Å; F59-L122 HydrophobicContact CZ-CD2 4.48Å; F59-C132 HydrophobicContact CD2-CB 3.65Å; F59-C132 HydrophobicContact CE2-CB 3.56Å; F59-C132 HydrophobicContact CG-CB 4.49Å; F59-C132 HydrophobicContact CZ-CB 4.33Å; F59-V136 HydrophobicContact CB-CG2 3.8Å; F59-A138 PolarHBondContact N-O 3.22Å; F59-V139 HydrophobicContact CB-CG2 4.35Å; F59-V139 HydrophobicContact CD1-CG1 4.34Å; F59-V139 CarbonylContact O-C 3.59Å; F59-V139 WeakPolarHBondContact O-CA 3.48Å; F59-L140 PolarHBondContact O-N 3.45Å; F59-W161 HydrophobicContact CB-CH2 4.16Å; F59-W161 AromaticContact CD1-CH2 3.64Å; F59-W161 HydrophobicContact CD1-CH2 3.64Å; F59-W161 AromaticContact CD1-CZ2 3.18Å; F59-W161 HydrophobicContact CD1-CZ2 3.18Å; F59-W161 HydrophobicContact CE1-CH2 4.24Å; F59-W161 AromaticContact CE1-CZ2 3.44Å; F59-W161 HydrophobicContact CE1-CZ2 3.44Å; F59-W161 VanDerWaalsContact CE1-CZ2 3.44Å; F59-W161 AromaticContact CG-CH2 3.96Å; F59-W161 HydrophobicContact CG-CH2 3.96Å; F59-W161 AromaticContact CG-CZ2 3.96Å; F59-W161 HydrophobicContact CG-CZ2 3.96Å; F59-W161 HydrophobicContact CZ-CZ2 4.38Å
60I94.4Very high90.8Very high1 Ų130.9 Ų30.91%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-99.8111.3176.7-53.1-177.4000109.1K68 A72 L114 W115 L140 L142I60-K68 HydrophobicContact CG2-CB 3.72Å; I60-K68 HydrophobicContact CG2-CD 4.08Å; I60-K68 HydrophobicContact CG2-CG 3.81Å; I60-A72 HydrophobicContact CD1-CB 3.83Å; I60-L114 HydrophobicContact CD1-CB 4.2Å; I60-W115 PolarHBondContact N-O 2.76Å; I60-L140 HydrophobicContact CG1-CB 4.5Å; I60-L140 HydrophobicContact CG1-CD1 4.39Å; I60-L142 HydrophobicContact CG2-CD1 3.67Å; I60-L142 HydrophobicContact CG2-CD2 3.74Å; I60-L142 HydrophobicContact CG2-CG 4.3Å
61S92.6Very high91.7Very high9 Ų927.1 Ų27.16%0.06317%0.167CC..EExtended strand (participates in β ladder)trans-108.6140-178.8-173.20000111.2L140 F141 L142 Q157S61-L140 PolarHBondContact N-O 2.93Å; S61-F141 CarbonylContact O-C 3.57Å; S61-F141 WeakPolarHBondContact O-CA 3.48Å; S61-L142 PolarHBondContact O-N 3.21Å; S61-Q157 PolarHBondContact OG-OE1 3.47Å
62G91.6Very high92.1Very high13 Ų1326.1 Ų26.113%0.13416%0.161CC..  trans158.8166.3176.600000111.8K68G62-K68 PolarHBondContact O-NZ 3.16Å
63K91.1Very high92.2Very high48 Ų4822.7 Ų22.721%0.20914%0.143CC..  trans-60.4160.9-178.5-68.5-167.2-177.1-175.50113.2V66 K68 E119 T149K63-V66 HydrophobicContact CB-CG1 3.77Å; K63-V66 WeakPolarHBondContact O-CG2 3.38Å; K63-K68 PolarHBondContact O-NZ 3.14Å; K63-E119 VanDerWaalsContact CA-OE2 3.25Å; K63-E119 WeakPolarHBondContact CA-OE2 3.23Å; K63-T149 VanDerWaalsContact CE-O 3.31Å; K63-T149 WeakPolarHBondContact CE-O 3.41Å; K63-T149 VanDerWaalsContact NZ-C 3.31Å; K63-T149 VanDerWaalsContact NZ-CB 3.29Å; K63-T149 PolarHBondContact NZ-O 2.98Å; K63-T149 PolarHBondContact NZ-OG1 3.45Å
64S90.2Very high92.2Very high40 Ų4021.2 Ų21.228%0.2813%0.131SC..THydrogen-bonded Turntrans-55145.7165.9-179.40000110.8V66 E86 E119S64-V66 VanDerWaalsContact C-N 3.25Å; S64-V66 PolarHBondContact O-N 3.22Å; S64-V66 VanDerWaalsContact O-N 3.14Å; S64-E86 VanDerWaalsContact CB-OE2 3.31Å; S64-E86 WeakPolarHBondContact CB-OE2 3.32Å; S64-E86 PolarHBondContact OG-OE2 2.74Å; S64-E119 PolarHBondContact N-OE2 2.88Å
65G87.6Confident92.1Very high25 Ų2519 Ų1926%0.25812%0.119SC..THydrogen-bonded Turntrans73-3.6177.900000117.7G67 K176G65-G67 PolarHBondContact O-N 2.81Å; G65-K176 WeakPolarHBondContact O-CE 3.36Å; G65-K176 PolarHBondContact O-NZ 2.81Å
66V91.7Very high91.8Very high1 Ų114.8 Ų14.81%0.00610%0.098CC..SBendtrans-74.1-10.1177.9-54.20000113.6K63 S64 K68 L142 T175K63-V66 HydrophobicContact CB-CG1 3.77Å; K63-V66 WeakPolarHBondContact O-CG2 3.38Å; S64-V66 VanDerWaalsContact C-N 3.25Å; S64-V66 PolarHBondContact O-N 3.22Å; S64-V66 VanDerWaalsContact O-N 3.14Å; V66-K68 HydrophobicContact CG2-CG 3.79Å; V66-L142 HydrophobicContact CG2-CB 3.86Å; V66-T175 WeakPolarHBondContact O-CB 3.48Å; V66-T175 PolarHBondContact O-OG1 2.82Å
67G90.6Very high91.4Very high19 Ų1916.2 Ų16.220%0.19611%0.114CC..  trans94.232177.600000115.4G65 A70 L71G65-G67 PolarHBondContact O-N 2.81Å; G67-A70 PolarHBondContact O-N 3.01Å; G67-L71 WeakPolarHBondContact O-CB 3.41Å; G67-L71 PolarHBondContact O-N 3.48Å
68K93Very high90.9Very high10 Ų1017.8 Ų17.84%0.04312%0.123CC..Hα-helixtrans-55.1-55.1174.3-58.8-171.2-71-80.90112.8I60 G62 K63 V66 A70 L71 A72 D116 C117 L142I60-K68 HydrophobicContact CG2-CB 3.72Å; I60-K68 HydrophobicContact CG2-CD 4.08Å; I60-K68 HydrophobicContact CG2-CG 3.81Å; G62-K68 PolarHBondContact O-NZ 3.16Å; K63-K68 PolarHBondContact O-NZ 3.14Å; V66-K68 HydrophobicContact CG2-CG 3.79Å; K68-A70 VanDerWaalsContact C-N 3.31Å; K68-A70 PolarHBondContact O-N 3.12Å; K68-L71 PolarHBondContact O-N 2.8Å; K68-A72 PolarHBondContact O-N 3.28Å; K68-D116 WeakPolarHBondContact CB-OD1 3.34Å; K68-C117 WeakPolarHBondContact CE-O 3.44Å; K68-L142 HydrophobicContact CB-CD2 4.24Å; K68-L142 HydrophobicContact CG-CD2 3.98Å
69T91.4Very high90.3Very high34 Ų3425.3 Ų25.321%0.20916%0.163CC..Hα-helixtrans-61.8-39.3177.5-38.30000112A72 A73 T87 D116T69-A72 PolarHBondContact O-N 3.12Å; T69-A73 WeakPolarHBondContact O-CB 3.35Å; T69-A73 PolarHBondContact O-N 2.93Å; T69-T87 PolarHBondContact OG1-OG1 2.89Å; T69-D116 WeakPolarHBondContact CA-OD2 3.29Å; T69-D116 VanDerWaalsContact CB-OD2 3.24Å; T69-D116 WeakPolarHBondContact CB-OD2 3.46Å; T69-D116 PolarHBondContact N-OD2 3.38Å; T69-D116 PolarHBondContact OG1-OD2 3.17Å
70A91.8Very high89.8Confident32 Ų3228 Ų2826%0.26418%0.177SC..Hα-helixtrans-65.2-39.8177.300000112.1G67 K68 R74 I80G67-A70 PolarHBondContact O-N 3.01Å; K68-A70 VanDerWaalsContact C-N 3.31Å; K68-A70 PolarHBondContact O-N 3.12Å; A70-R74 VanDerWaalsContact O-CB 3.29Å; A70-R74 WeakPolarHBondContact O-CB 3.32Å; A70-R74 PolarHBondContact O-N 3.38Å; A70-I80 HydrophobicContact CB-CG2 3.8Å
71L92.2Very high89Confident3 Ų331.5 Ų31.52%0.01620%0.2CC..Hα-helixtrans-66.7-45.1174.5-17669000111.1G67 K68 A73 R74 L75 L140 L142 V173 S204 I218G67-L71 WeakPolarHBondContact O-CB 3.41Å; G67-L71 PolarHBondContact O-N 3.48Å; K68-L71 PolarHBondContact O-N 2.8Å; L71-A73 VanDerWaalsContact C-N 3.34Å; L71-A73 PolarHBondContact O-N 3.38Å; L71-R74 PolarHBondContact O-N 3.31Å; L71-L75 HydrophobicContact CD1-CG 4.32Å; L71-L75 HydrophobicContact CG-CD1 4.09Å; L71-L75 HydrophobicContact CG-CG 4.29Å; L71-L75 WeakPolarHBondContact O-CG 3.19Å; L71-L75 PolarHBondContact O-N 3.03Å; L71-L140 HydrophobicContact CD2-CD1 4.42Å; L71-L142 HydrophobicContact CB-CD2 4.11Å; L71-L142 HydrophobicContact CD2-CD1 3.88Å; L71-L142 HydrophobicContact CD2-CD2 3.72Å; L71-L142 HydrophobicContact CD2-CG 4.01Å; L71-V173 HydrophobicContact CD1-CG1 4.2Å; L71-V173 HydrophobicContact CD2-CB 4.14Å; L71-V173 HydrophobicContact CD2-CG1 3.89Å; L71-V173 HydrophobicContact CD2-CG2 4.25Å; L71-S204 WeakPolarHBondContact CD1-OG 3.47Å; L71-I218 HydrophobicContact CD1-CD1 3.94Å
72A92.6Very high88.1Confident2 Ų237 Ų372%0.01724%0.238CC..Hα-helixtrans-58.6-46.9177.600000111.6I60 K68 T69 R74 L75 A76 L114I60-A72 HydrophobicContact CD1-CB 3.83Å; K68-A72 PolarHBondContact O-N 3.28Å; T69-A72 PolarHBondContact O-N 3.12Å; A72-R74 PolarHBondContact O-N 2.96Å; A72-L75 PolarHBondContact O-N 3.35Å; A72-A76 WeakPolarHBondContact O-CB 3.3Å; A72-A76 PolarHBondContact O-N 2.91Å; A72-A76 VanDerWaalsContact O-N 3.09Å; A72-L114 HydrophobicContact CB-CD1 4.21Å
73A90Very high87.5Confident8 Ų840.4 Ų40.47%0.06626%0.256CS..Hα-helixtrans-59.3-46.7174.400000111.6T69 L71 L75 A76 G77 L78T69-A73 WeakPolarHBondContact O-CB 3.35Å; T69-A73 PolarHBondContact O-N 2.93Å; L71-A73 VanDerWaalsContact C-N 3.34Å; L71-A73 PolarHBondContact O-N 3.38Å; A73-L75 PolarHBondContact O-N 3.15Å; A73-A76 CarbonylContact O-C 3.51Å; A73-A76 PolarHBondContact O-N 3.37Å; A73-G77 PolarHBondContact O-N 3.47Å; A73-L78 HydrophobicContact CB-CB 4.08Å; A73-L78 PolarHBondContact O-N 3.05Å
74R89.9Confident86.9Confident31 Ų3143.5 Ų43.512%0.11727%0.271CS..Hα-helixtrans-59.6-48.7178.2-174.7178.8-68.2-141.5-3.4112A70 L71 A72 A76 G77 I80 G205 G206 V215A70-R74 VanDerWaalsContact O-CB 3.29Å; A70-R74 WeakPolarHBondContact O-CB 3.32Å; A70-R74 PolarHBondContact O-N 3.38Å; L71-R74 PolarHBondContact O-N 3.31Å; A72-R74 PolarHBondContact O-N 2.96Å; R74-A76 PolarHBondContact O-N 3.19Å; R74-G77 PolarHBondContact O-N 3.49Å; R74-I80 HydrophobicContact CB-CD1 4.03Å; R74-I80 HydrophobicContact CB-CG1 4.44Å; R74-I80 HydrophobicContact CG-CD1 4.34Å; R74-G205 VanDerWaalsContact NH1-C 3.31Å; R74-G205 PolarHBondContact NH1-O 2.84Å; R74-G206 PolarHBondContact NH1-O 3.38Å; R74-G206 PolarHBondContact NH2-O 2.78Å; R74-V215 HydrophobicContact CG-CG1 3.97Å; R74-V215 WeakPolarHBondContact O-CG1 3.47Å
75L90.5Very high86.3Confident0 Ų048.1 Ų48.10%029%0.288CS..Hα-helixtrans-61.7-32.5178.9-68.3177.2000112.4R34 L71 A72 A73 V95 L114 L140 V215 I218 L219R34-L75 PolarHBondContact NH1-O 2.81Å; L71-L75 HydrophobicContact CD1-CG 4.32Å; L71-L75 HydrophobicContact CG-CD1 4.09Å; L71-L75 HydrophobicContact CG-CG 4.29Å; L71-L75 WeakPolarHBondContact O-CG 3.19Å; L71-L75 PolarHBondContact O-N 3.03Å; A72-L75 PolarHBondContact O-N 3.35Å; A73-L75 PolarHBondContact O-N 3.15Å; L75-V95 HydrophobicContact CB-CG2 4.19Å; L75-L114 HydrophobicContact CB-CD1 3.9Å; L75-L114 HydrophobicContact CD1-CD1 3.82Å; L75-L140 HydrophobicContact CD1-CD1 4.41Å; L75-V215 HydrophobicContact CD2-CB 3.98Å; L75-V215 HydrophobicContact CD2-CG1 4.06Å; L75-I218 HydrophobicContact CD1-CG2 4.3Å; L75-I218 HydrophobicContact CD2-CB 4.05Å; L75-I218 HydrophobicContact CD2-CD1 4.35Å; L75-I218 HydrophobicContact CD2-CG2 3.98Å; L75-L219 HydrophobicContact CD2-CD2 4.12Å; L75-L219 HydrophobicContact CD2-CG 4.15Å
76A88.3Confident86Confident5 Ų549.3 Ų49.34%0.04129%0.287CS..Hα-helixtrans-83.4-12.5174.900000114.3A72 A73 R74 L78 T93 V95A72-A76 WeakPolarHBondContact O-CB 3.3Å; A72-A76 PolarHBondContact O-N 2.91Å; A72-A76 VanDerWaalsContact O-N 3.09Å; A73-A76 CarbonylContact O-C 3.51Å; A73-A76 PolarHBondContact O-N 3.37Å; R74-A76 PolarHBondContact O-N 3.19Å; A76-L78 VanDerWaalsContact C-N 3.3Å; A76-L78 HydrophobicContact CB-CD1 3.94Å; A76-L78 HydrophobicContact CB-CG 3.78Å; A76-T93 HydrophobicContact CB-CG2 3.35Å; A76-V95 HydrophobicContact CB-CG2 3.81Å
77G85.6Confident85.6Confident35 Ų3549.8 Ų49.836%0.36129%0.29SS..THydrogen-bonded Turntrans69.329.3-172.300000113.3A73 R74A73-G77 PolarHBondContact O-N 3.47Å; R74-G77 PolarHBondContact O-N 3.49Å
78L85Confident85.1Confident55 Ų5555.1 Ų55.129%0.28832%0.319SS..PPolyproline II helixtrans-84.4161171.1-57.9174.2000110N36 A73 A76 I80 T93N36-L78 HydrophobicContact CB-CD2 3.99Å; N36-L78 WeakPolarHBondContact ND2-CD2 3.37Å; N36-L78 WeakPolarHBondContact OD1-CD2 3.17Å; A73-L78 HydrophobicContact CB-CB 4.08Å; A73-L78 PolarHBondContact O-N 3.05Å; A76-L78 VanDerWaalsContact C-N 3.3Å; A76-L78 HydrophobicContact CB-CD1 3.94Å; A76-L78 HydrophobicContact CB-CG 3.78Å; L78-I80 PolarHBondContact O-N 2.61Å; L78-T93 HydrophobicContact CD1-CG2 3.89Å
79N82.1Confident84.6Confident159 Ų15955.6 Ų55.685%0.8533%0.327SS*.PPolyproline II helixtrans-60124.3172.4-69.6-33.3000109.9P81N79-P81 WeakPolarHBondContact O-CD 3.29Å
80I83.6Confident84.4Confident59 Ų5956.6 Ų56.630%0.30333%0.331SS..PPolyproline II helixtrans-73.2125.7177.6-59.4176.6000108A70 R74 L78 S82 V208A70-I80 HydrophobicContact CB-CG2 3.8Å; R74-I80 HydrophobicContact CB-CD1 4.03Å; R74-I80 HydrophobicContact CB-CG1 4.44Å; R74-I80 HydrophobicContact CG-CD1 4.34Å; L78-I80 PolarHBondContact O-N 2.61Å; I80-S82 PolarHBondContact O-N 3.23Å; I80-V208 HydrophobicContact CD1-CG2 3.47Å; I80-V208 VanDerWaalsContact CD1-CG2 3.47Å; I80-V208 HydrophobicContact CG1-CG2 4.38Å
81P77.1Confident84.2Confident73 Ų7359.7 Ų59.747%0.47434%0.339SS..PPolyproline II helixtrans-59.3126.8176.7-21.832000111N79N79-P81 WeakPolarHBondContact O-CD 3.29Å
82S73.6Confident84.1Confident125 Ų12562 Ų6287%0.87435%0.354SS*.SBendtrans-77-22.9178.456.10000113.3I80I80-S82 PolarHBondContact O-N 3.23Å
83V78.7Confident84Confident85 Ų8563.2 Ų63.252%0.51536%0.361SS..SBendtrans-115.7127.2179.8-176.70000109.3H85V83-H85 WeakPolarHBondContact CG1-CE1 3.1Å; V83-H85 PolarHBondContact O-N 2.85Å; V83-H85 PolarHBondContact O-ND1 2.89Å; V83-H85 VanDerWaalsContact O-ND1 3.12Å
84H78.9Confident84.1Confident112 Ų11263.4 Ų63.452%0.51936%0.361SS..  trans-71.1122.2175.5178.452.8000110.6
85H77.9Confident84.2Confident138 Ų13862 Ų6264%0.63936%0.356SS*.  trans-122.9138.2166.1-61.184.9000107.8V83 T87V83-H85 WeakPolarHBondContact CG1-CE1 3.1Å; V83-H85 PolarHBondContact O-N 2.85Å; V83-H85 PolarHBondContact O-ND1 2.89Å; V83-H85 VanDerWaalsContact O-ND1 3.12Å; H85-T87 PolarHBondContact O-N 3.36Å
86E81.9Confident84.2Confident49 Ų4962.3 Ų62.323%0.22936%0.357CS..  trans-66.5129.7174.3-176.670.3-177.800109.4S64 T88 G118 E119 N120S64-E86 VanDerWaalsContact CB-OE2 3.31Å; S64-E86 WeakPolarHBondContact CB-OE2 3.32Å; S64-E86 PolarHBondContact OG-OE2 2.74Å; E86-T88 PolarHBondContact O-N 2.91Å; E86-G118 WeakPolarHBondContact OE1-CA 3.43Å; E86-E119 PolarHBondContact OE1-N 2.88Å; E86-N120 HydrophobicContact CG-CB 4.1Å; E86-N120 PolarHBondContact OE1-N 2.83Å
87T82.2Confident84.5Confident11 Ų1162.1 Ų62.17%0.06736%0.355CS..  trans-69.1113.8179.3-43.20000109.8T69 H85 G89 Q91 G118T69-T87 PolarHBondContact OG1-OG1 2.89Å; H85-T87 PolarHBondContact O-N 3.36Å; T87-G89 VanDerWaalsContact CG2-O 3.3Å; T87-G89 WeakPolarHBondContact CG2-O 3.47Å; T87-G89 PolarHBondContact O-N 2.87Å; T87-Q91 HydrophobicContact CG2-CB 4.3Å; T87-Q91 HydrophobicContact CG2-CG 3.63Å; T87-G118 WeakPolarHBondContact O-CA 3.35Å; T87-G118 PolarHBondContact O-N 3.02Å
88T81.6Confident84.8Confident131 Ų13160.5 Ų60.580%0.80434%0.339SS*.  trans-75.9-0.2-172.951.70000114.5E86E86-T88 PolarHBondContact O-N 2.91Å
89G82.5Confident85.2Confident21 Ų2158.1 Ų58.122%0.21633%0.326CS..SBendtrans-170.1-158.5179.200000111.7T87T87-G89 VanDerWaalsContact CG2-O 3.3Å; T87-G89 WeakPolarHBondContact CG2-O 3.47Å; T87-G89 PolarHBondContact O-N 2.87Å
90I85.5Confident85.7Confident55 Ų5553 Ų5328%0.28230%0.296SS..EExtended strand (participates in β ladder)trans-86.4121.4176.8-59.1172.5000109W115 D116 C117 L128 C132I90-W115 HydrophobicContact CD1-CE3 4.36Å; I90-W115 HydrophobicContact CD1-CZ3 4.15Å; I90-W115 HydrophobicContact CG2-CD2 4.15Å; I90-W115 HydrophobicContact CG2-CE3 3.4Å; I90-W115 HydrophobicContact CG2-CZ3 3.82Å; I90-D116 WeakPolarHBondContact CA-O 3.31Å; I90-C117 HydrophobicContact CG1-CB 4.35Å; I90-L128 HydrophobicContact CD1-CD2 3.89Å; I90-L128 HydrophobicContact CG1-CD2 4.21Å; I90-C132 VanDerWaalsContact CD1-SG 3.57Å
91Q88.8Confident86.1Confident96 Ų9650.4 Ų50.445%0.44928%0.283SS..EExtended strand (participates in β ladder)trans-107.7130169.7-69.8-173.1-9.700109.4T87 D116T87-Q91 HydrophobicContact CG2-CB 4.3Å; T87-Q91 HydrophobicContact CG2-CG 3.63Å; Q91-D116 PolarHBondContact N-O 3.3Å; Q91-D116 PolarHBondContact O-N 3.18Å
92T89.8Confident86.6Confident53 Ų5353.3 Ų53.333%0.32529%0.285SS..EExtended strand (participates in β ladder)trans-110.4124.2177.9-56.10000109.9L39 Q113 L114L39-T92 HydrophobicContact CD2-CG2 4.43Å; T92-Q113 HydrophobicContact CG2-CB 4.25Å; T92-L114 CarbonylContact C-O 3.55Å; T92-L114 WeakPolarHBondContact CA-O 3.49Å
93T91Very high87.2Confident26 Ų2655.7 Ų55.716%0.1628%0.282CS..EExtended strand (participates in β ladder)trans-117.4128.3175.7-57.30000109.5A76 L78 L114A76-T93 HydrophobicContact CB-CG2 3.35Å; L78-T93 HydrophobicContact CD1-CG2 3.89Å; T93-L114 PolarHBondContact N-O 3.44Å; T93-L114 WeakPolarHBondContact O-CB 3.29Å; T93-L114 PolarHBondContact O-N 2.91Å
94V91.5Very high87.6Confident12 Ų1256.3 Ų56.37%0.07328%0.283CS..EExtended strand (participates in β ladder)trans-95.9130.5-179.1-179.10000110.5L39 Y96 R111 L112L39-V94 HydrophobicContact CD2-CG2 4.01Å; V94-Y96 HydrophobicContact CG1-CD2 4.17Å; V94-Y96 HydrophobicContact CG1-CE2 3.66Å; V94-R111 HydrophobicContact CG1-CG 3.81Å; V94-L112 WeakPolarHBondContact CA-O 3.37Å
95V91.7Very high88Confident1 Ų152.5 Ų52.51%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-123121.3176.3170.50000109.6R34 L75 A76 L112 L114 L219R34-V95 VanDerWaalsContact NH1-CG1 3.32Å; L75-V95 HydrophobicContact CB-CG2 4.19Å; A76-V95 HydrophobicContact CB-CG2 3.81Å; V95-L112 HydrophobicContact CB-CB 4.23Å; V95-L112 PolarHBondContact N-O 3.24Å; V95-L112 PolarHBondContact O-N 2.99Å; V95-L114 HydrophobicContact CG2-CD1 3.78Å; V95-L114 HydrophobicContact CG2-CG 4.29Å; V95-L219 HydrophobicContact CG1-CD1 4.24Å; V95-L219 HydrophobicContact CG1-CD2 3.79Å
96Y91.7Very high88.6Confident7 Ų751.4 Ų51.43%0.02726%0.264CS..EExtended strand (participates in β ladder)trans-91.2133.6168.8-66.8-83.9000110.7R34 F37 E41 S42 P43 T53 V94 F110 R111R34-Y96 PolarHBondContact NH2-O 2.72Å; F37-Y96 HydrophobicContact CB-CD2 4.07Å; F37-Y96 HydrophobicContact CB-CE2 3.75Å; F37-Y96 HydrophobicContact CD1-CD2 4.25Å; F37-Y96 HydrophobicContact CD1-CE2 4.11Å; F37-Y96 AromaticContact CD2-CD2 3.65Å; F37-Y96 HydrophobicContact CD2-CD2 3.65Å; F37-Y96 HydrophobicContact CD2-CE2 4.18Å; F37-Y96 HydrophobicContact CE2-CD2 4.09Å; F37-Y96 AromaticContact CG-CD2 3.72Å; F37-Y96 HydrophobicContact CG-CD2 3.72Å; F37-Y96 AromaticContact CG-CE2 3.75Å; F37-Y96 HydrophobicContact CG-CE2 3.75Å; E41-Y96 WeakPolarHBondContact O-CE2 3.34Å; E41-Y96 PolarHBondContact O-OH 3.29Å; S42-Y96 WeakPolarHBondContact CA-OH 3.08Å; S42-Y96 WeakPolarHBondContact CB-OH 3.49Å; P43-Y96 VanDerWaalsContact CD-CD1 3.46Å; P43-Y96 VanDerWaalsContact CD-CE1 3.49Å; P43-Y96 HydrophobicContact CG-CD1 3.75Å; P43-Y96 HydrophobicContact CG-CD2 4.41Å; P43-Y96 HydrophobicContact CG-CE1 4.23Å; P43-Y96 HydrophobicContact CG-CG 3.84Å; T53-Y96 HydrophobicContact CG2-CE1 4.37Å; V94-Y96 HydrophobicContact CG1-CD2 4.17Å; V94-Y96 HydrophobicContact CG1-CE2 3.66Å; Y96-F110 CarbonylContact C-O 3.55Å; Y96-F110 WeakPolarHBondContact CA-O 3.5Å; Y96-R111 HydrophobicContact CD1-CB 4.07Å; Y96-R111 HydrophobicContact CD1-CG 4.32Å; Y96-R111 HydrophobicContact CE1-CB 3.75Å; Y96-R111 HydrophobicContact CE1-CG 3.68Å; Y96-R111 VanDerWaalsContact OH-CD 3.32Å; Y96-R111 WeakPolarHBondContact OH-CD 3.45Å; Y96-R111 PolarHBondContact OH-NE 3.37Å
97W93.4Very high89Confident1 Ų149.8 Ų49.80%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-135113.6174.8-166.6-118.3000111.2H16 F25 I28 F110 L212 A216 L219 N220H16-W97 HydrophobicContact CB-CH2 4.23Å; H16-W97 HydrophobicContact CB-CZ2 4.4Å; F25-W97 HydrophobicContact CD1-CZ3 4.44Å; F25-W97 HydrophobicContact CE1-CD2 4.28Å; F25-W97 AromaticContact CE1-CE3 3.82Å; F25-W97 HydrophobicContact CE1-CE3 3.82Å; F25-W97 AromaticContact CE1-CH2 3.79Å; F25-W97 HydrophobicContact CE1-CH2 3.79Å; F25-W97 HydrophobicContact CE1-CZ2 4.18Å; F25-W97 AromaticContact CE1-CZ3 3.59Å; F25-W97 HydrophobicContact CE1-CZ3 3.59Å; F25-W97 HydrophobicContact CZ-CH2 4.37Å; F25-W97 HydrophobicContact CZ-CZ2 4.33Å; F25-W97 HydrophobicContact CZ-CZ3 4.48Å; I28-W97 HydrophobicContact CD1-CE3 4.19Å; I28-W97 HydrophobicContact CD1-CZ3 4.49Å; W97-F110 HydrophobicContact CB-CB 4.42Å; W97-F110 PolarHBondContact N-O 2.86Å; W97-F110 PolarHBondContact O-N 3.31Å; W97-L212 HydrophobicContact CH2-CB 4.19Å; W97-L212 HydrophobicContact CH2-CD1 3.99Å; W97-L212 HydrophobicContact CH2-CG 4.47Å; W97-L212 HydrophobicContact CZ3-CB 4.39Å; W97-L212 HydrophobicContact CZ3-CD1 3.76Å; W97-L212 HydrophobicContact CZ3-CD2 3.88Å; W97-L212 HydrophobicContact CZ3-CG 4.23Å; W97-A216 HydrophobicContact CH2-CB 3.87Å; W97-A216 HydrophobicContact CZ2-CB 3.95Å; W97-L219 HydrophobicContact CD2-CB 3.73Å; W97-L219 HydrophobicContact CD2-CD1 3.75Å; W97-L219 HydrophobicContact CD2-CG 4.37Å; W97-L219 HydrophobicContact CE3-CB 4.3Å; W97-L219 HydrophobicContact CE3-CD1 3.44Å; W97-L219 VanDerWaalsContact CE3-CD1 3.44Å; W97-L219 HydrophobicContact CG-CB 3.9Å; W97-L219 HydrophobicContact CG-CD1 4.34Å; W97-L219 HydrophobicContact CH2-CD1 4.22Å; W97-L219 HydrophobicContact CZ2-CB 4.15Å; W97-L219 HydrophobicContact CZ3-CD1 3.67Å; W97-N220 WeakPolarHBondContact CZ2-OD1 3.42Å; W97-N220 PolarHBondContact NE1-OD1 2.72Å
98P92.6Very high89.5Confident2 Ų249.4 Ų49.41%0.01326%0.255CS..EExtended strand (participates in β ladder)trans-67.7132.8171.4-13.923.9000111.6W15 F25 I28 F109W15-P98 HydrophobicContact CE3-CB 4.46Å; W15-P98 HydrophobicContact CZ3-CB 3.75Å; F25-P98 HydrophobicContact CD1-CG 3.98Å; F25-P98 HydrophobicContact CD2-CB 4.36Å; F25-P98 HydrophobicContact CD2-CG 4.19Å; F25-P98 HydrophobicContact CE1-CB 4.43Å; F25-P98 HydrophobicContact CE1-CG 3.88Å; F25-P98 HydrophobicContact CE2-CB 3.91Å; F25-P98 HydrophobicContact CE2-CG 4.06Å; F25-P98 HydrophobicContact CG-CG 4.16Å; F25-P98 HydrophobicContact CZ-CB 3.95Å; F25-P98 HydrophobicContact CZ-CG 3.91Å; F25-P98 WeakPolarHBondContact CZ-O 3.01Å; I28-P98 HydrophobicContact CD1-CG 4.19Å; I28-P98 HydrophobicContact CG1-CG 4.45Å; P98-F109 HydrophobicContact CB-CE1 4.2Å; P98-F109 HydrophobicContact CB-CZ 4.47Å; P98-F109 HydrophobicContact CG-CD1 4.22Å; P98-F109 HydrophobicContact CG-CE1 3.6Å; P98-F109 HydrophobicContact CG-CZ 4.1Å
99V92.4Very high89.9Confident4 Ų443.2 Ų43.22%0.02422%0.217CC..EExtended strand (participates in β ladder)trans-132.7134.8-178.3179.20000109.1I11 V107 L108 F110 A223I11-V99 HydrophobicContact CB-CG1 3.61Å; I11-V99 HydrophobicContact CD1-CG1 4.18Å; I11-V99 HydrophobicContact CG1-CG1 4.43Å; I11-V99 HydrophobicContact CG2-CG1 3.37Å; V99-V107 CarbonylContact O-C 3.47Å; V99-V107 VanDerWaalsContact O-CA 3.28Å; V99-V107 WeakPolarHBondContact O-CA 3.24Å; V99-L108 PolarHBondContact N-O 3Å; V99-L108 PolarHBondContact O-N 2.92Å; V99-F110 HydrophobicContact CB-CD1 3.89Å; V99-F110 HydrophobicContact CB-CE1 3.82Å; V99-F110 HydrophobicContact CG1-CE1 4.16Å; V99-F110 HydrophobicContact CG2-CD1 3.58Å; V99-F110 HydrophobicContact CG2-CE1 3.88Å; V99-F110 HydrophobicContact CG2-CG 3.96Å; V99-F110 HydrophobicContact CG2-CZ 4.46Å; V99-A223 HydrophobicContact CG2-CB 3.72Å
100K92.7Very high90.5Very high51 Ų5142.2 Ų42.222%0.22221%0.207CC..EExtended strand (participates in β ladder)trans-106.8124.8173.1-174.5174.8-172.8-179.10109.8I11 V12 W15 D20 V107I11-K100 CarbonylContact C-O 3.27Å; I11-K100 WeakPolarHBondContact CA-O 3.49Å; V12-K100 HydrophobicContact CB-CB 4.28Å; V12-K100 HydrophobicContact CG2-CB 4.1Å; V12-K100 HydrophobicContact CG2-CD 4.18Å; V12-K100 HydrophobicContact CG2-CG 4Å; V12-K100 PolarHBondContact N-O 2.8Å; W15-K100 HydrophobicContact CD2-CB 3.54Å; W15-K100 HydrophobicContact CD2-CD 4.33Å; W15-K100 HydrophobicContact CE3-CB 3.77Å; W15-K100 HydrophobicContact CG-CB 3.97Å; W15-K100 HydrophobicContact CH2-CB 4.24Å; W15-K100 HydrophobicContact CZ2-CB 4.05Å; W15-K100 HydrophobicContact CZ2-CD 4.03Å; W15-K100 HydrophobicContact CZ3-CB 4.1Å; D20-K100 IonicContact OD2-NZ 2.67Å; D20-K100 PolarHBondContact OD2-NZ 3.09Å; K100-V107 HydrophobicContact CB-CG2 4.33Å; K100-V107 HydrophobicContact CG-CG2 4.24Å
101L91.9Very high90.9Very high5 Ų541.6 Ų41.63%0.02620%0.201CC..BIsolated β-bridgetrans-74.4137.9176.2-60.3-174.9000110.5I11 N104 G105 R106 L108 W227I11-L101 HydrophobicContact CG2-CD2 4.44Å; L101-N104 WeakPolarHBondContact CB-OD1 3.35Å; L101-G105 WeakPolarHBondContact O-CA 3.41Å; L101-G105 PolarHBondContact O-N 2.95Å; L101-G105 VanDerWaalsContact O-N 3.08Å; L101-R106 HydrophobicContact CD1-CB 4.33Å; L101-R106 PolarHBondContact N-O 3.16Å; L101-L108 HydrophobicContact CD1-CD1 3.86Å; L101-L108 HydrophobicContact CD2-CD1 4.04Å; L101-L108 HydrophobicContact CG-CD1 4.03Å; L101-W227 HydrophobicContact CD1-CH2 3.95Å; L101-W227 HydrophobicContact CD1-CZ2 3.41Å; L101-W227 VanDerWaalsContact CD1-CZ2 3.41Å; L101-W227 HydrophobicContact CD2-CD2 3.82Å; L101-W227 VanDerWaalsContact CD2-CE2 3.49Å; L101-W227 HydrophobicContact CD2-CG 4.08Å; L101-W227 HydrophobicContact CD2-CZ2 3.95Å; L101-W227 HydrophobicContact CG-CZ2 4.34Å
102R89.4Confident91.2Very high135 Ų13537 Ų3751%0.50918%0.179SC..THydrogen-bonded Turntrans-75-31178.7-85.1169.8173.4-97.114.4113.4A9 Y10 I11 V12 P13A9-R102 WeakPolarHBondContact O-CD 3.49Å; Y10-R102 PolarHBondContact O-N 3.26Å; I11-R102 WeakPolarHBondContact O-CD 3.45Å; I11-R102 PolarHBondContact O-NE 3.22Å; V12-R102 HydrophobicContact CG2-CG 3.75Å; P13-R102 VanDerWaalsContact CD-CZ 3.49Å; P13-R102 VanDerWaalsContact CG-NH2 3.26Å
103E86.1Confident91.4Very high175 Ų17536.7 Ų36.782%0.81817%0.174SC*.THydrogen-bonded Turntrans-68.8-46.3-172.6-176.5174.5-158.500112.7
104N85.8Confident91.5Very high98 Ų9835.5 Ų35.552%0.52417%0.167SC..THydrogen-bonded Turntrans-125.1-0.6-173.760.510.6000113.6L101 R106L101-N104 WeakPolarHBondContact CB-OD1 3.35Å; N104-R106 PolarHBondContact O-N 2.86Å; N104-R106 WeakPolarHBondContact OD1-CB 3.4Å; N104-R106 PolarHBondContact OD1-N 3.32Å
105G87.3Confident91.6Very high32 Ų3237.4 Ų37.433%0.3317%0.173SC..  trans713.8-177.100000114.8L101L101-G105 WeakPolarHBondContact O-CA 3.41Å; L101-G105 PolarHBondContact O-N 2.95Å; L101-G105 VanDerWaalsContact O-N 3.08Å
106R90.2Very high91.6Very high114 Ų11437.4 Ų37.443%0.4317%0.173SC..  trans-62.2139.1177.9-177.8177177.6-164.97109.7D52 L101 N104 L108D52-R106 IonicContact OD1-NH2 2.61Å; D52-R106 IonicContact OD2-CZ 3.38Å; D52-R106 VanDerWaalsContact OD2-CZ 3.3Å; D52-R106 IonicContact OD2-NE 3.8Å; D52-R106 PolarHBondContact OD2-NE 3.08Å; D52-R106 IonicContact OD2-NH2 3.3Å; D52-R106 PolarHBondContact OD2-NH2 3.2Å; L101-R106 HydrophobicContact CD1-CB 4.33Å; L101-R106 PolarHBondContact N-O 3.16Å; N104-R106 PolarHBondContact O-N 2.86Å; N104-R106 WeakPolarHBondContact OD1-CB 3.4Å; N104-R106 PolarHBondContact OD1-N 3.32Å; R106-L108 HydrophobicContact CG-CD2 4.4Å
107V91.3Very high91.3Very high16 Ų1637.1 Ų37.110%0.09717%0.172CC..EExtended strand (participates in β ladder)trans-97.6143.8173.3-178.60000108.7W15 Y24 V51 V99 K100W15-V107 HydrophobicContact CH2-CB 4.2Å; W15-V107 HydrophobicContact CH2-CG1 3.54Å; W15-V107 HydrophobicContact CH2-CG2 3.52Å; W15-V107 HydrophobicContact CZ2-CG2 3.91Å; W15-V107 HydrophobicContact CZ3-CG1 3.76Å; W15-V107 HydrophobicContact CZ3-CG2 4.32Å; Y24-V107 HydrophobicContact CD1-CB 4.45Å; Y24-V107 HydrophobicContact CD1-CG1 3.67Å; Y24-V107 HydrophobicContact CE1-CB 3.93Å; Y24-V107 HydrophobicContact CE1-CG1 3.64Å; Y24-V107 HydrophobicContact CE1-CG2 4.14Å; Y24-V107 HydrophobicContact CE2-CG2 4.07Å; Y24-V107 HydrophobicContact CG-CG1 4.13Å; V51-V107 HydrophobicContact CG1-CG1 4.17Å; V51-V107 WeakPolarHBondContact CG1-O 3.44Å; V51-V107 HydrophobicContact CG2-CB 4.42Å; V51-V107 HydrophobicContact CG2-CG1 4.28Å; V99-V107 CarbonylContact O-C 3.47Å; V99-V107 VanDerWaalsContact O-CA 3.28Å; V99-V107 WeakPolarHBondContact O-CA 3.24Å; K100-V107 HydrophobicContact CB-CG2 4.33Å; K100-V107 HydrophobicContact CG-CG2 4.24Å
108L91.6Very high90.8Very high2 Ų237 Ų371%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-133.3147.8177.5-64.2173.9000109.4V51 D52 L54 V99 L101 R106 F110 W227V51-L108 VanDerWaalsContact CG1-CA 3.49Å; D52-L108 HydrophobicContact CB-CD2 3.87Å; D52-L108 WeakPolarHBondContact O-CA 3.49Å; L54-L108 HydrophobicContact CD1-CD1 3.85Å; V99-L108 PolarHBondContact N-O 3Å; V99-L108 PolarHBondContact O-N 2.92Å; L101-L108 HydrophobicContact CD1-CD1 3.86Å; L101-L108 HydrophobicContact CD2-CD1 4.04Å; L101-L108 HydrophobicContact CG-CD1 4.03Å; R106-L108 HydrophobicContact CG-CD2 4.4Å; L108-F110 HydrophobicContact CB-CD1 4.14Å; L108-F110 HydrophobicContact CB-CE1 3.82Å; L108-F110 HydrophobicContact CD1-CE1 4.07Å; L108-W227 HydrophobicContact CD1-CE3 3.92Å; L108-W227 HydrophobicContact CD1-CH2 3.83Å; L108-W227 HydrophobicContact CD1-CZ2 4.46Å; L108-W227 HydrophobicContact CD1-CZ3 3.55Å
109F91.5Very high90.2Very high2 Ų238.3 Ų38.31%0.00918%0.177CC..EExtended strand (participates in β ladder)trans-98.9119.9166.9-89.8-80.1000109.6Y24 I28 P43 M45 V51 D52 T53 L54 P98Y24-F109 HydrophobicContact CD1-CE2 4.39Å; I28-F109 HydrophobicContact CG2-CE1 4.01Å; P43-F109 HydrophobicContact CB-CE1 4.04Å; P43-F109 HydrophobicContact CB-CZ 4.19Å; P43-F109 HydrophobicContact CG-CD1 3.76Å; P43-F109 HydrophobicContact CG-CE1 3.65Å; P43-F109 HydrophobicContact CG-CG 4.29Å; P43-F109 HydrophobicContact CG-CZ 4.15Å; M45-F109 HydrophobicContact CG-CD2 4.5Å; M45-F109 HydrophobicContact CG-CE2 3.7Å; M45-F109 HydrophobicContact CG-CZ 4.5Å; M45-F109 HydrophobicContact SD-CE2 3.86Å; M45-F109 HydrophobicContact SD-CZ 4.19Å; V51-F109 HydrophobicContact CB-CD2 3.67Å; V51-F109 HydrophobicContact CB-CE2 3.99Å; V51-F109 HydrophobicContact CG1-CB 4.38Å; V51-F109 HydrophobicContact CG1-CD2 3.37Å; V51-F109 HydrophobicContact CG1-CE2 4.01Å; V51-F109 HydrophobicContact CG1-CG 4.25Å; V51-F109 HydrophobicContact CG2-CD2 4.33Å; V51-F109 HydrophobicContact CG2-CE2 4.2Å; D52-F109 PolarHBondContact O-N 3.35Å; T53-F109 CarbonylContact C-O 3.51Å; T53-F109 VanDerWaalsContact CA-O 3.24Å; T53-F109 WeakPolarHBondContact CA-O 3.37Å; T53-F109 HydrophobicContact CG2-CB 4.25Å; L54-F109 PolarHBondContact N-O 2.88Å; P98-F109 HydrophobicContact CB-CE1 4.2Å; P98-F109 HydrophobicContact CB-CZ 4.47Å; P98-F109 HydrophobicContact CG-CD1 4.22Å; P98-F109 HydrophobicContact CG-CE1 3.6Å; P98-F109 HydrophobicContact CG-CZ 4.1Å
110F94.2Very high89.6Confident0 Ų041.4 Ų41.40%019%0.193CC..EExtended strand (participates in β ladder)trans-89.8113.5173.6-77.946.8000107.2L54 Y56 Y96 W97 V99 L108 L112 A223 L226 W227L54-F110 HydrophobicContact CD1-CE1 4.21Å; L54-F110 HydrophobicContact CD1-CZ 4.36Å; Y56-F110 HydrophobicContact CD2-CB 4.46Å; Y56-F110 AromaticContact CD2-CD2 3.79Å; Y56-F110 HydrophobicContact CD2-CD2 3.79Å; Y56-F110 HydrophobicContact CD2-CE2 4.33Å; Y56-F110 HydrophobicContact CD2-CG 4.33Å; Y56-F110 HydrophobicContact CE2-CB 4.43Å; Y56-F110 AromaticContact CE2-CD2 3.28Å; Y56-F110 HydrophobicContact CE2-CD2 3.28Å; Y56-F110 AromaticContact CE2-CE2 3.44Å; Y56-F110 HydrophobicContact CE2-CE2 3.44Å; Y56-F110 VanDerWaalsContact CE2-CE2 3.44Å; Y56-F110 AromaticContact CE2-CG 3.86Å; Y56-F110 HydrophobicContact CE2-CG 3.86Å; Y56-F110 HydrophobicContact CE2-CZ 4.14Å; Y56-F110 AromaticContact CZ-CE2 3.88Å; Y96-F110 CarbonylContact C-O 3.55Å; Y96-F110 WeakPolarHBondContact CA-O 3.5Å; W97-F110 HydrophobicContact CB-CB 4.42Å; W97-F110 PolarHBondContact N-O 2.86Å; W97-F110 PolarHBondContact O-N 3.31Å; V99-F110 HydrophobicContact CB-CD1 3.89Å; V99-F110 HydrophobicContact CB-CE1 3.82Å; V99-F110 HydrophobicContact CG1-CE1 4.16Å; V99-F110 HydrophobicContact CG2-CD1 3.58Å; V99-F110 HydrophobicContact CG2-CE1 3.88Å; V99-F110 HydrophobicContact CG2-CG 3.96Å; V99-F110 HydrophobicContact CG2-CZ 4.46Å; L108-F110 HydrophobicContact CB-CD1 4.14Å; L108-F110 HydrophobicContact CB-CE1 3.82Å; L108-F110 HydrophobicContact CD1-CE1 4.07Å; F110-L112 HydrophobicContact CB-CD2 3.95Å; F110-L112 HydrophobicContact CB-CG 4.41Å; F110-L112 HydrophobicContact CD2-CD2 4.37Å; F110-A223 HydrophobicContact CD2-CB 3.91Å; F110-A223 HydrophobicContact CE2-CB 3.92Å; F110-L226 HydrophobicContact CE2-CB 4.29Å; F110-W227 HydrophobicContact CE2-CB 4.43Å; F110-W227 HydrophobicContact CZ-CB 4.06Å; F110-W227 HydrophobicContact CZ-CE3 4.12Å
111R94.1Very high88.8Confident41 Ų4139.2 Ų39.216%0.15519%0.185CC..EExtended strand (participates in β ladder)trans-92.792.3172.5-179.6166.8176.5-885108.3L39 T53 L54 D55 Y56 V94 Y96L39-R111 PolarHBondContact O-NH2 3.29Å; T53-R111 HydrophobicContact CG2-CB 3.69Å; L54-R111 PolarHBondContact O-N 3.36Å; D55-R111 WeakPolarHBondContact OD1-CD 3.3Å; D55-R111 WeakPolarHBondContact OD1-CG 3.44Å; D55-R111 IonicContact OD1-CZ 3.75Å; D55-R111 IonicContact OD1-NE 3.23Å; D55-R111 IonicContact OD1-NH1 3.53Å; D55-R111 PolarHBondContact OD1-NH1 2.97Å; Y56-R111 PolarHBondContact N-O 3.32Å; V94-R111 HydrophobicContact CG1-CG 3.81Å; Y96-R111 HydrophobicContact CD1-CB 4.07Å; Y96-R111 HydrophobicContact CD1-CG 4.32Å; Y96-R111 HydrophobicContact CE1-CB 3.75Å; Y96-R111 HydrophobicContact CE1-CG 3.68Å; Y96-R111 VanDerWaalsContact OH-CD 3.32Å; Y96-R111 WeakPolarHBondContact OH-CD 3.45Å; Y96-R111 PolarHBondContact OH-NE 3.37Å
112L94.7Very high88.3Confident1 Ų140.6 Ų40.61%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-87.3113.9-179.4-48.8-176.4000109.4Y56 I58 V94 V95 F110 L114 L219 L222 L226Y56-L112 HydrophobicContact CD2-CD2 3.82Å; Y56-L112 HydrophobicContact CG-CD2 4.27Å; I58-L112 HydrophobicContact CD1-CB 3.91Å; I58-L112 HydrophobicContact CD1-CD1 4.03Å; I58-L112 HydrophobicContact CD1-CD2 4.03Å; I58-L112 HydrophobicContact CD1-CG 4.2Å; V94-L112 WeakPolarHBondContact CA-O 3.37Å; V95-L112 HydrophobicContact CB-CB 4.23Å; V95-L112 PolarHBondContact N-O 3.24Å; V95-L112 PolarHBondContact O-N 2.99Å; F110-L112 HydrophobicContact CB-CD2 3.95Å; F110-L112 HydrophobicContact CB-CG 4.41Å; F110-L112 HydrophobicContact CD2-CD2 4.37Å; L112-L114 HydrophobicContact CB-CD2 4.49Å; L112-L219 HydrophobicContact CD1-CD2 3.73Å; L112-L222 HydrophobicContact CD1-CD1 4.3Å; L112-L226 HydrophobicContact CD2-CD1 3.93Å
113Q94.2Very high87.8Confident46 Ų4642.5 Ų42.522%0.21520%0.199CC..EExtended strand (participates in β ladder)trans-89.9106.1171.7-58.4-174.1-30.900108.6Y56 I58 T92 W115Y56-Q113 PolarHBondContact O-N 3.08Å; I58-Q113 PolarHBondContact N-O 2.81Å; T92-Q113 HydrophobicContact CG2-CB 4.25Å; Q113-W115 PolarHBondContact O-N 2.89Å
114L94.2Very high87.4Confident1 Ų143.7 Ų43.71%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-86.1110177.5-55.2-176.7000109.5I58 I60 A72 L75 T92 T93 V95 L112I58-L114 HydrophobicContact CB-CD2 3.92Å; I58-L114 HydrophobicContact CD1-CD2 4.01Å; I58-L114 HydrophobicContact CG1-CD2 4.38Å; I58-L114 HydrophobicContact CG2-CD2 4.14Å; I60-L114 HydrophobicContact CD1-CB 4.2Å; A72-L114 HydrophobicContact CB-CD1 4.21Å; L75-L114 HydrophobicContact CB-CD1 3.9Å; L75-L114 HydrophobicContact CD1-CD1 3.82Å; T92-L114 CarbonylContact C-O 3.55Å; T92-L114 WeakPolarHBondContact CA-O 3.49Å; T93-L114 PolarHBondContact N-O 3.44Å; T93-L114 WeakPolarHBondContact O-CB 3.29Å; T93-L114 PolarHBondContact O-N 2.91Å; V95-L114 HydrophobicContact CG2-CD1 3.78Å; V95-L114 HydrophobicContact CG2-CG 4.29Å; L112-L114 HydrophobicContact CB-CD2 4.49Å
115W93.1Very high86.9Confident51 Ų5143.4 Ų43.419%0.19319%0.191CC..EExtended strand (participates in β ladder)trans-94.5102.9176.9-72.157.7000108.9K57 I58 F59 I60 I90 Q113K57-W115 HydrophobicContact CD-CZ2 4.35Å; K57-W115 HydrophobicContact CG-CG 4.34Å; I58-W115 PolarHBondContact O-N 3.21Å; F59-W115 HydrophobicContact CD2-CB 4.18Å; I60-W115 PolarHBondContact N-O 2.76Å; I90-W115 HydrophobicContact CD1-CE3 4.36Å; I90-W115 HydrophobicContact CD1-CZ3 4.15Å; I90-W115 HydrophobicContact CG2-CD2 4.15Å; I90-W115 HydrophobicContact CG2-CE3 3.4Å; I90-W115 HydrophobicContact CG2-CZ3 3.82Å; Q113-W115 PolarHBondContact O-N 2.89Å
116D91Very high86.3Confident1 Ų148.5 Ų48.51%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-95.8132.7171.7-179.227.6000109.7K68 T69 I90 Q91K68-D116 WeakPolarHBondContact CB-OD1 3.34Å; T69-D116 WeakPolarHBondContact CA-OD2 3.29Å; T69-D116 VanDerWaalsContact CB-OD2 3.24Å; T69-D116 WeakPolarHBondContact CB-OD2 3.46Å; T69-D116 PolarHBondContact N-OD2 3.38Å; T69-D116 PolarHBondContact OG1-OD2 3.17Å; I90-D116 WeakPolarHBondContact CA-O 3.31Å; Q91-D116 PolarHBondContact N-O 3.3Å; Q91-D116 PolarHBondContact O-N 3.18Å
117C85.5Confident85.6Confident1 Ų148.8 Ų48.81%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-140.5135.5175.1-167.20000109.7F59 K68 I90 L122F59-C117 HydrophobicContact CE2-CB 4.16Å; K68-C117 WeakPolarHBondContact CE-O 3.44Å; I90-C117 HydrophobicContact CG1-CB 4.35Å; C117-L122 HydrophobicContact CB-CD1 4.33Å; C117-L122 HydrophobicContact CB-CD2 4.07Å; C117-L122 HydrophobicContact CB-CG 4.13Å; C117-L122 VanDerWaalsContact SG-CD2 3.59Å
118G83.1Confident85Confident0 Ų049.2 Ų49.20%022%0.218CC..  trans-62142.7177.100000111E86 T87 N120 A121 L122E86-G118 WeakPolarHBondContact OE1-CA 3.43Å; T87-G118 WeakPolarHBondContact O-CA 3.35Å; T87-G118 PolarHBondContact O-N 3.02Å; G118-N120 VanDerWaalsContact C-N 3.25Å; G118-N120 PolarHBondContact O-N 3.41Å; G118-A121 PolarHBondContact O-N 3.47Å; G118-L122 WeakPolarHBondContact O-CG 3.22Å; G118-L122 PolarHBondContact O-N 3.01Å
119E80.9Confident84.4Confident28 Ų2850.7 Ų50.713%0.13123%0.226CC..Hα-helixtrans-63.3-39.3179.2-178.3-179.2-16700110.4K63 S64 E86 A121 L122 R123K63-E119 VanDerWaalsContact CA-OE2 3.25Å; K63-E119 WeakPolarHBondContact CA-OE2 3.23Å; S64-E119 PolarHBondContact N-OE2 2.88Å; E86-E119 PolarHBondContact OE1-N 2.88Å; E119-A121 VanDerWaalsContact C-N 3.33Å; E119-A121 PolarHBondContact O-N 2.93Å; E119-L122 PolarHBondContact O-N 2.97Å; E119-R123 WeakPolarHBondContact O-CG 3.37Å; E119-R123 PolarHBondContact O-N 3.27Å; E119-R123 VanDerWaalsContact O-N 3.11Å; E119-R123 IonicContact OE1-CZ 2.91Å; E119-R123 IonicContact OE1-NE 3.6Å; E119-R123 IonicContact OE1-NH2 3.17Å; E119-R123 PolarHBondContact OE1-NH2 3.19Å
120N78.6Confident84Confident69 Ų6954.2 Ų54.237%0.36925%0.249SC..Hα-helixtrans-66.4-36.5177.6-70.2-31.5000111.9E86 G118 R123 R124E86-N120 HydrophobicContact CG-CB 4.1Å; E86-N120 PolarHBondContact OE1-N 2.83Å; G118-N120 VanDerWaalsContact C-N 3.25Å; G118-N120 PolarHBondContact O-N 3.41Å; N120-R123 PolarHBondContact O-N 3.3Å; N120-R124 VanDerWaalsContact O-CB 3.31Å; N120-R124 WeakPolarHBondContact O-CB 3.43Å; N120-R124 WeakPolarHBondContact O-CG 3.42Å; N120-R124 PolarHBondContact O-N 3.22Å
121A77.1Confident83.3Confident5 Ų556.8 Ų56.84%0.04127%0.267CS..Hα-helixtrans-65-45.1176.400000110.9G118 E119 R123 R124 F125 L128G118-A121 PolarHBondContact O-N 3.47Å; E119-A121 VanDerWaalsContact C-N 3.33Å; E119-A121 PolarHBondContact O-N 2.93Å; A121-R123 VanDerWaalsContact C-N 3.27Å; A121-R123 PolarHBondContact O-N 2.92Å; A121-R124 PolarHBondContact O-N 2.96Å; A121-F125 HydrophobicContact CB-CD2 4.43Å; A121-F125 WeakPolarHBondContact O-CB 3.46Å; A121-F125 WeakPolarHBondContact O-CD2 3.38Å; A121-F125 PolarHBondContact O-N 3.46Å; A121-L128 HydrophobicContact CB-CD1 4.1Å
122L80.6Confident82.6Confident35 Ų3554.8 Ų54.818%0.18326%0.259CS..Hα-helixtrans-61.2-33.2176.6-66.8169.7000113.3F59 C117 G118 E119 L128 L129F59-L122 HydrophobicContact CZ-CD1 3.91Å; F59-L122 HydrophobicContact CZ-CD2 4.48Å; C117-L122 HydrophobicContact CB-CD1 4.33Å; C117-L122 HydrophobicContact CB-CD2 4.07Å; C117-L122 HydrophobicContact CB-CG 4.13Å; C117-L122 VanDerWaalsContact SG-CD2 3.59Å; G118-L122 WeakPolarHBondContact O-CG 3.22Å; G118-L122 PolarHBondContact O-N 3.01Å; E119-L122 PolarHBondContact O-N 2.97Å; L122-L128 HydrophobicContact CD2-CB 4.19Å; L122-L129 HydrophobicContact CD2-CB 4.14Å; L122-L129 HydrophobicContact CD2-CD1 4.29Å
123R78.4Confident82Confident175 Ų17557.1 Ų57.166%0.6627%0.269SS*.Hα-helixtrans-80.3-29.8177.2-69.3178.6-175-161.92.6113.4E119 N120 A121E119-R123 WeakPolarHBondContact O-CG 3.37Å; E119-R123 PolarHBondContact O-N 3.27Å; E119-R123 VanDerWaalsContact O-N 3.11Å; E119-R123 IonicContact OE1-CZ 2.91Å; E119-R123 IonicContact OE1-NE 3.6Å; E119-R123 IonicContact OE1-NH2 3.17Å; E119-R123 PolarHBondContact OE1-NH2 3.19Å; N120-R123 PolarHBondContact O-N 3.3Å; A121-R123 VanDerWaalsContact C-N 3.27Å; A121-R123 PolarHBondContact O-N 2.92Å
124R78.6Confident81.4Confident199 Ų19960.8 Ų60.875%0.75129%0.286SS*.Hα-helixtrans-83.5-28.8-178.8-76179.3-179.1-1661.2112.8N120 A121N120-R124 VanDerWaalsContact O-CB 3.31Å; N120-R124 WeakPolarHBondContact O-CB 3.43Å; N120-R124 WeakPolarHBondContact O-CG 3.42Å; N120-R124 PolarHBondContact O-N 3.22Å; A121-R124 PolarHBondContact O-N 2.96Å
125F75.2Confident80.9Confident92 Ų9268.5 Ų68.540%0.40432%0.322SS..  trans-123.894.9-173.5-58.8-67.4000110.2A121 H127 L128A121-F125 HydrophobicContact CB-CD2 4.43Å; A121-F125 WeakPolarHBondContact O-CB 3.46Å; A121-F125 WeakPolarHBondContact O-CD2 3.38Å; A121-F125 PolarHBondContact O-N 3.46Å; F125-H127 AromaticContact CD1-CE1 3.95Å; F125-H127 PolarHBondContact O-N 3.3Å; F125-L128 HydrophobicContact CB-CB 4.41Å; F125-L128 HydrophobicContact CB-CD1 3.63Å; F125-L128 HydrophobicContact CB-CG 3.61Å; F125-L128 HydrophobicContact CD2-CD1 3.75Å; F125-L128 HydrophobicContact CG-CD1 4.08Å; F125-L128 HydrophobicContact CG-CG 4.44Å; F125-L128 PolarHBondContact O-N 3.4Å
126D74.7Confident80.7Confident140 Ų14066.5 Ų66.575%0.74932%0.316SS*.THydrogen-bonded Turntrans-58.3-23.1-174.9-64.5-30.7000114P130D126-P130 WeakPolarHBondContact O-CD 3.44Å; D126-P130 WeakPolarHBondContact O-CG 3.39Å
127H75.8Confident80.8Confident120 Ų12067.8 Ų67.856%0.55632%0.322SS*.THydrogen-bonded Turntrans-80.6-20178.861.9-85.7000113.8F125 P130 S131F125-H127 AromaticContact CD1-CE1 3.95Å; F125-H127 PolarHBondContact O-N 3.3Å; H127-P130 WeakPolarHBondContact O-CD 3.48Å; H127-S131 PolarHBondContact O-N 3.25Å; H127-S131 PolarHBondContact O-OG 3.03Å
128L79Confident81.3Confident24 Ų2467.7 Ų67.713%0.12632%0.322CS..Hα-helixtrans-70.2-41-176.9-67.9-177.3000112.2I90 A121 L122 F125 S131 C132I90-L128 HydrophobicContact CD1-CD2 3.89Å; I90-L128 HydrophobicContact CG1-CD2 4.21Å; A121-L128 HydrophobicContact CB-CD1 4.1Å; L122-L128 HydrophobicContact CD2-CB 4.19Å; F125-L128 HydrophobicContact CB-CB 4.41Å; F125-L128 HydrophobicContact CB-CD1 3.63Å; F125-L128 HydrophobicContact CB-CG 3.61Å; F125-L128 HydrophobicContact CD2-CD1 3.75Å; F125-L128 HydrophobicContact CG-CD1 4.08Å; F125-L128 HydrophobicContact CG-CG 4.44Å; F125-L128 PolarHBondContact O-N 3.4Å; L128-S131 PolarHBondContact O-N 3.3Å; L128-C132 WeakPolarHBondContact O-CB 3.47Å; L128-C132 PolarHBondContact O-N 2.8Å; L128-C132 PolarHBondContact O-SG 2.54Å
129L78.6Confident81.8Confident33 Ų3367.7 Ų67.717%0.17332%0.322CS..Hα-helixtrans-66-45.8-177.5-18066.2000112.4L122 S131 C132 K133 W161L122-L129 HydrophobicContact CD2-CB 4.14Å; L122-L129 HydrophobicContact CD2-CD1 4.29Å; L129-S131 PolarHBondContact O-N 3.08Å; L129-C132 PolarHBondContact O-N 2.81Å; L129-K133 HydrophobicContact CD1-CG 4.39Å; L129-K133 HydrophobicContact CG-CD 4.43Å; L129-K133 WeakPolarHBondContact O-CB 3.21Å; L129-K133 WeakPolarHBondContact O-CG 3.25Å; L129-K133 PolarHBondContact O-N 2.81Å; L129-W161 HydrophobicContact CD1-CZ2 4.42Å
130P81.8Confident82.5Confident76 Ų7666.4 Ų66.449%0.49432%0.316SS..Hα-helixtrans-53.8-47.8170.6-2835.1000113.3D126 H127 C132 K133 E134D126-P130 WeakPolarHBondContact O-CD 3.44Å; D126-P130 WeakPolarHBondContact O-CG 3.39Å; H127-P130 WeakPolarHBondContact O-CD 3.48Å; P130-C132 VanDerWaalsContact C-N 3.28Å; P130-C132 PolarHBondContact O-N 2.93Å; P130-K133 WeakPolarHBondContact O-CB 3.27Å; P130-K133 PolarHBondContact O-N 2.95Å; P130-K133 VanDerWaalsContact O-N 3.07Å; P130-E134 PolarHBondContact O-N 3.5Å
131S79.6Confident83.3Confident54 Ų5463.1 Ų63.138%0.37830%0.299SS..Hα-helixtrans-64.5-32178.2-57.70000113.1K57 H127 L128 L129K57-S131 PolarHBondContact NZ-O 2.95Å; H127-S131 PolarHBondContact O-N 3.25Å; H127-S131 PolarHBondContact O-OG 3.03Å; L128-S131 PolarHBondContact O-N 3.3Å; L129-S131 PolarHBondContact O-N 3.08Å
132C79.8Confident84.2Confident0 Ų063 Ų630%030%0.297CS..Hα-helixtrans-70.9-35.3172.8-68.20000112.1F59 I90 L128 L129 P130 V136F59-C132 HydrophobicContact CD2-CB 3.65Å; F59-C132 HydrophobicContact CE2-CB 3.56Å; F59-C132 HydrophobicContact CG-CB 4.49Å; F59-C132 HydrophobicContact CZ-CB 4.33Å; I90-C132 VanDerWaalsContact CD1-SG 3.57Å; L128-C132 WeakPolarHBondContact O-CB 3.47Å; L128-C132 PolarHBondContact O-N 2.8Å; L128-C132 PolarHBondContact O-SG 2.54Å; L129-C132 PolarHBondContact O-N 2.81Å; P130-C132 VanDerWaalsContact C-N 3.28Å; P130-C132 PolarHBondContact O-N 2.93Å; C132-V136 WeakPolarHBondContact O-CG2 3.48Å
133K81.3Confident84.9Confident49 Ų4961.3 Ų61.321%0.21329%0.288CS..Hα-helixtrans-73.7-29.9178.9-78.3-172.5164.5-1590113.3L129 P130 Q135 K160 W161 S164L129-K133 HydrophobicContact CD1-CG 4.39Å; L129-K133 HydrophobicContact CG-CD 4.43Å; L129-K133 WeakPolarHBondContact O-CB 3.21Å; L129-K133 WeakPolarHBondContact O-CG 3.25Å; L129-K133 PolarHBondContact O-N 2.81Å; P130-K133 WeakPolarHBondContact O-CB 3.27Å; P130-K133 PolarHBondContact O-N 2.95Å; P130-K133 VanDerWaalsContact O-N 3.07Å; K133-Q135 PolarHBondContact O-N 2.77Å; K133-K160 PolarHBondContact NZ-O 3.3Å; K133-W161 HydrophobicContact CB-CH2 4.27Å; K133-W161 HydrophobicContact CB-CZ3 4.24Å; K133-W161 HydrophobicContact CG-CE3 4.26Å; K133-W161 HydrophobicContact CG-CH2 3.45Å; K133-W161 VanDerWaalsContact CG-CH2 3.45Å; K133-W161 HydrophobicContact CG-CZ2 4.03Å; K133-W161 HydrophobicContact CG-CZ3 3.58Å; K133-S164 PolarHBondContact NZ-OG 2.93Å
134E82.3Confident85.6Confident123 Ų12353 Ų5358%0.57526%0.257SS*.THydrogen-bonded Turntrans-62.5129.4-179.2-174.3172.9-161.100111.4K57 P130 V136K57-E134 PolarHBondContact NZ-O 2.86Å; P130-E134 PolarHBondContact O-N 3.5Å; E134-V136 PolarHBondContact O-N 3.43Å; E134-V136 VanDerWaalsContact O-N 3.13Å
135Q83.1Confident86.3Confident164 Ų16443.6 Ų43.677%0.76622%0.222SC*.THydrogen-bonded Turntrans52.333.7177.5-62.4176.3-4.500114.2K57 K133K57-Q135 WeakPolarHBondContact CB-O 3.38Å; K133-Q135 PolarHBondContact O-N 2.77Å
136V90.8Very high87.1Confident8 Ų840.9 Ų40.95%0.04821%0.212CC..  trans-81.7128.7174.3130.90000110.3K57 F59 C132 E134 V139 W161 L168K57-V136 HydrophobicContact CB-CG2 4.49Å; K57-V136 HydrophobicContact CD-CG2 3.93Å; K57-V136 HydrophobicContact CG-CG2 3.8Å; F59-V136 HydrophobicContact CB-CG2 3.8Å; C132-V136 WeakPolarHBondContact O-CG2 3.48Å; E134-V136 PolarHBondContact O-N 3.43Å; E134-V136 VanDerWaalsContact O-N 3.13Å; V136-V139 HydrophobicContact CG1-CG2 3.92Å; V136-W161 HydrophobicContact CB-CZ3 4.43Å; V136-W161 HydrophobicContact CG1-CH2 4.47Å; V136-W161 HydrophobicContact CG1-CZ3 3.78Å; V136-L168 HydrophobicContact CG1-CD1 3.28Å; V136-L168 HydrophobicContact CG1-CD2 4.42Å; V136-L168 HydrophobicContact CG1-CG 4.47Å
137D93.2Very high87.9Confident28 Ų2836.3 Ų36.315%0.1519%0.188CC..  trans-93.6-32.1178.2-58.6-65.1000112Y56 K57 L168 V169 L226 Q229 R233Y56-D137 WeakPolarHBondContact CA-OD2 3.32Å; Y56-D137 HydrophobicContact CD1-CB 4.04Å; K57-D137 PolarHBondContact N-OD2 3.5Å; K57-D137 PolarHBondContact O-N 3.2Å; D137-L168 WeakPolarHBondContact O-CD1 3.48Å; D137-V169 PolarHBondContact O-N 3.1Å; D137-L226 HydrophobicContact CB-CD2 3.8Å; D137-Q229 PolarHBondContact O-OE1 2.92Å; D137-R233 IonicContact OD1-NH1 3.53Å; D137-R233 PolarHBondContact OD1-NH1 2.92Å
138A94.6Very high88.7Confident0 Ų035.3 Ų35.30%018%0.179CC..EExtended strand (participates in β ladder)trans-141.5154.117600000113.5K57 I58 F59 V169 L222 L226K57-A138 PolarHBondContact O-N 2.85Å; I58-A138 CarbonylContact C-O 3.53Å; I58-A138 WeakPolarHBondContact CA-O 3.29Å; I58-A138 HydrophobicContact CG1-CB 4.17Å; I58-A138 HydrophobicContact CG2-CB 4.19Å; F59-A138 PolarHBondContact N-O 3.22Å; A138-V169 CarbonylContact C-O 3.56Å; A138-V169 WeakPolarHBondContact CA-O 3.49Å; A138-V169 HydrophobicContact CB-CB 3.8Å; A138-V169 HydrophobicContact CB-CG1 3.99Å; A138-L222 HydrophobicContact CB-CD2 4.27Å; A138-L226 HydrophobicContact CB-CD2 4Å
139V94.3Very high89.4Confident0 Ų037.5 Ų37.50%019%0.194CC..EExtended strand (participates in β ladder)trans-121.9128.2166.2-179.80000110F59 V136 F141 W161 L168 V169 V171F59-V139 HydrophobicContact CB-CG2 4.35Å; F59-V139 HydrophobicContact CD1-CG1 4.34Å; F59-V139 CarbonylContact O-C 3.59Å; F59-V139 WeakPolarHBondContact O-CA 3.48Å; V136-V139 HydrophobicContact CG1-CG2 3.92Å; V139-F141 HydrophobicContact CB-CE2 3.88Å; V139-F141 HydrophobicContact CB-CZ 3.96Å; V139-F141 HydrophobicContact CG1-CD1 4.08Å; V139-F141 HydrophobicContact CG1-CD2 4.04Å; V139-F141 HydrophobicContact CG1-CE1 3.71Å; V139-F141 HydrophobicContact CG1-CE2 3.65Å; V139-F141 HydrophobicContact CG1-CG 4.23Å; V139-F141 HydrophobicContact CG1-CZ 3.48Å; V139-F141 VanDerWaalsContact CG1-CZ 3.48Å; V139-W161 HydrophobicContact CG1-CD2 4.47Å; V139-W161 HydrophobicContact CG2-CD2 3.64Å; V139-W161 HydrophobicContact CG2-CE3 3.47Å; V139-W161 VanDerWaalsContact CG2-CE3 3.47Å; V139-W161 HydrophobicContact CG2-CG 4.27Å; V139-W161 HydrophobicContact CG2-CH2 3.97Å; V139-W161 HydrophobicContact CG2-CZ2 4.2Å; V139-W161 HydrophobicContact CG2-CZ3 3.6Å; V139-L168 HydrophobicContact CG2-CD1 4.13Å; V139-L168 HydrophobicContact CG2-CD2 3.71Å; V139-L168 HydrophobicContact CG2-CG 4.27Å; V139-V169 PolarHBondContact N-O 2.82Å; V139-V171 PolarHBondContact O-N 2.89Å
140L95.5Very high90.1Very high0 Ų036 Ų360%019%0.186CC..EExtended strand (participates in β ladder)trans-92.8112.6167-67.7-177.8000109.1I58 F59 I60 S61 L71 L75 L142 V171 V173 L222I58-L140 HydrophobicContact CG2-CD1 3.99Å; I58-L140 HydrophobicContact CG2-CG 3.7Å; F59-L140 PolarHBondContact O-N 3.45Å; I60-L140 HydrophobicContact CG1-CB 4.5Å; I60-L140 HydrophobicContact CG1-CD1 4.39Å; S61-L140 PolarHBondContact N-O 2.93Å; L71-L140 HydrophobicContact CD2-CD1 4.42Å; L75-L140 HydrophobicContact CD1-CD1 4.41Å; L140-L142 HydrophobicContact CB-CD1 3.75Å; L140-L142 WeakPolarHBondContact O-CD1 3.32Å; L140-V171 CarbonylContact C-O 3.55Å; L140-V171 WeakPolarHBondContact CA-O 3.48Å; L140-V171 HydrophobicContact CD2-CB 3.77Å; L140-V171 HydrophobicContact CD2-CG1 4.09Å; L140-V173 HydrophobicContact CD2-CG2 4.28Å; L140-L222 HydrophobicContact CD1-CD1 4.34Å; L140-L222 HydrophobicContact CD2-CD1 4.19Å; L140-L222 HydrophobicContact CD2-CD2 3.78Å; L140-L222 HydrophobicContact CD2-CG 4.26Å
141F95.3Very high90.7Very high1 Ų133.3 Ų33.30%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-91.5116.9174.2-62.7-82.5000110S61 V139 L154 Q157 I158 W161 K170 V171 V172 V173S61-F141 CarbonylContact O-C 3.57Å; S61-F141 WeakPolarHBondContact O-CA 3.48Å; V139-F141 HydrophobicContact CB-CE2 3.88Å; V139-F141 HydrophobicContact CB-CZ 3.96Å; V139-F141 HydrophobicContact CG1-CD1 4.08Å; V139-F141 HydrophobicContact CG1-CD2 4.04Å; V139-F141 HydrophobicContact CG1-CE1 3.71Å; V139-F141 HydrophobicContact CG1-CE2 3.65Å; V139-F141 HydrophobicContact CG1-CG 4.23Å; V139-F141 HydrophobicContact CG1-CZ 3.48Å; V139-F141 VanDerWaalsContact CG1-CZ 3.48Å; F141-L154 HydrophobicContact CB-CD2 3.81Å; F141-Q157 HydrophobicContact CD1-CB 3.75Å; F141-Q157 HydrophobicContact CE1-CB 3.78Å; F141-I158 HydrophobicContact CD1-CG1 4.03Å; F141-I158 HydrophobicContact CD2-CG1 3.91Å; F141-I158 HydrophobicContact CE1-CG1 3.97Å; F141-I158 HydrophobicContact CE2-CG1 3.86Å; F141-I158 HydrophobicContact CG-CG1 3.99Å; F141-I158 HydrophobicContact CZ-CB 4.44Å; F141-I158 HydrophobicContact CZ-CG1 3.89Å; F141-W161 HydrophobicContact CE1-CB 4.43Å; F141-W161 AromaticContact CE1-CD1 3.61Å; F141-W161 HydrophobicContact CE1-CG 4.18Å; F141-W161 HydrophobicContact CZ-CB 3.88Å; F141-W161 AromaticContact CZ-CD1 3.86Å; F141-W161 AromaticContact CZ-CG 3.97Å; F141-W161 HydrophobicContact CZ-CG 3.97Å; F141-K170 HydrophobicContact CD2-CB 4.49Å; F141-K170 HydrophobicContact CE2-CB 3.92Å; F141-K170 HydrophobicContact CE2-CD 4.25Å; F141-K170 HydrophobicContact CE2-CG 3.95Å; F141-V171 PolarHBondContact N-O 2.93Å; F141-V172 HydrophobicContact CB-CG2 4.11Å; F141-V172 CarbonylContact O-C 3.58Å; F141-V172 VanDerWaalsContact O-CA 3.26Å; F141-V172 WeakPolarHBondContact O-CA 3.48Å; F141-V173 PolarHBondContact O-N 2.55Å
142L95.7Very high91.4Very high1 Ų136.1 Ų36.11%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-105.3136.2-176.7-83.762.8000111.3I60 S61 V66 K68 L71 L140 V173 T175I60-L142 HydrophobicContact CG2-CD1 3.67Å; I60-L142 HydrophobicContact CG2-CD2 3.74Å; I60-L142 HydrophobicContact CG2-CG 4.3Å; S61-L142 PolarHBondContact O-N 3.21Å; V66-L142 HydrophobicContact CG2-CB 3.86Å; K68-L142 HydrophobicContact CB-CD2 4.24Å; K68-L142 HydrophobicContact CG-CD2 3.98Å; L71-L142 HydrophobicContact CB-CD2 4.11Å; L71-L142 HydrophobicContact CD2-CD1 3.88Å; L71-L142 HydrophobicContact CD2-CD2 3.72Å; L71-L142 HydrophobicContact CD2-CG 4.01Å; L140-L142 HydrophobicContact CB-CD1 3.75Å; L140-L142 WeakPolarHBondContact O-CD1 3.32Å; L142-V173 WeakPolarHBondContact CA-O 3.41Å; L142-V173 HydrophobicContact CD1-CB 4.16Å; L142-V173 HydrophobicContact CG-CB 4.26Å; L142-T175 HydrophobicContact CD2-CG2 4.06Å; L142-T175 HydrophobicContact CG-CG2 4.22Å
143F95.8Very high92Very high0 Ų037.6 Ų37.60%018%0.182CC..EExtended strand (participates in β ladder)trans-130.2159.2163.874.3-83000108.9F145 S150 F151 L154 V172 V173 G174 T175 V185 V190 V201F143-F145 HydrophobicContact CE2-CD1 4.23Å; F143-F145 HydrophobicContact CE2-CD2 4.21Å; F143-F145 HydrophobicContact CE2-CE1 4.11Å; F143-F145 HydrophobicContact CE2-CE2 4.09Å; F143-F145 HydrophobicContact CE2-CG 4.28Å; F143-F145 HydrophobicContact CE2-CZ 4.03Å; F143-F145 HydrophobicContact CZ-CE1 4.28Å; F143-F145 HydrophobicContact CZ-CE2 4.02Å; F143-F145 AromaticContact CZ-CZ 3.85Å; F143-F145 HydrophobicContact CZ-CZ 3.85Å; F143-S150 WeakPolarHBondContact CA-OG 3.1Å; F143-S150 WeakPolarHBondContact CB-OG 3.37Å; F143-F151 HydrophobicContact CB-CB 4.27Å; F143-F151 HydrophobicContact CD1-CD2 4.09Å; F143-F151 HydrophobicContact CD2-CB 3.94Å; F143-F151 AromaticContact CD2-CD2 3.68Å; F143-F151 HydrophobicContact CD2-CD2 3.68Å; F143-F151 HydrophobicContact CD2-CG 4.26Å; F143-F151 HydrophobicContact CE1-CD2 4.11Å; F143-F151 HydrophobicContact CE1-CE2 4.4Å; F143-F151 AromaticContact CE2-CD2 3.73Å; F143-F151 HydrophobicContact CE2-CD2 3.73Å; F143-F151 HydrophobicContact CE2-CE2 4.39Å; F143-F151 HydrophobicContact CG-CB 4.25Å; F143-F151 AromaticContact CG-CD2 3.86Å; F143-F151 HydrophobicContact CG-CD2 3.86Å; F143-F151 AromaticContact CZ-CD2 3.93Å; F143-F151 HydrophobicContact CZ-CD2 3.93Å; F143-F151 HydrophobicContact CZ-CE2 4.22Å; F143-L154 HydrophobicContact CB-CD1 4.06Å; F143-L154 HydrophobicContact CB-CD2 4.22Å; F143-L154 HydrophobicContact CB-CG 4.2Å; F143-L154 HydrophobicContact CD1-CD1 3.63Å; F143-L154 HydrophobicContact CD1-CD2 4.46Å; F143-L154 HydrophobicContact CE1-CD1 4.31Å; F143-L154 HydrophobicContact CG-CD1 4.01Å; F143-V172 HydrophobicContact CD1-CG1 3.9Å; F143-V172 HydrophobicContact CE1-CG1 3.89Å; F143-V173 PolarHBondContact N-O 3.34Å; F143-G174 CarbonylContact O-C 3.58Å; F143-G174 WeakPolarHBondContact O-CA 3.5Å; F143-T175 PolarHBondContact O-N 2.88Å; F143-T175 PolarHBondContact O-OG1 3.09Å; F143-T175 VanDerWaalsContact O-OG1 3.1Å; F143-V185 HydrophobicContact CD2-CG2 4.45Å; F143-V185 HydrophobicContact CE2-CB 4.38Å; F143-V185 HydrophobicContact CE2-CG1 4.04Å; F143-V185 HydrophobicContact CE2-CG2 4.47Å; F143-V190 HydrophobicContact CZ-CG2 4.14Å; F143-V201 HydrophobicContact CE1-CG1 4.06Å
144S93.8Very high92.5Very high0 Ų035.4 Ų35.40%017%0.172CC..EExtended strand (participates in β ladder)trans-102.7135.8173.7179.50000109.9T146 D147 S150 T175 K176S144-T146 PolarHBondContact O-N 3.29Å; S144-T146 VanDerWaalsContact O-N 3.15Å; S144-T146 PolarHBondContact OG-N 2.69Å; S144-T146 PolarHBondContact OG-OG1 3.28Å; S144-D147 CarbonylContact O-C 3.51Å; S144-D147 PolarHBondContact O-N 2.97Å; S144-S150 PolarHBondContact N-OG 2.83Å; S144-T175 WeakPolarHBondContact CA-OG1 3.48Å; S144-K176 WeakPolarHBondContact OG-CD 3.46Å
145F91.9Very high93Very high3 Ų331.4 Ų31.41%0.01316%0.158CC..THydrogen-bonded Turntrans-61.5-20.2172-82.9-82000112.7F143 T175 F177 C183 D184 V185 V190 H203F143-F145 HydrophobicContact CE2-CD1 4.23Å; F143-F145 HydrophobicContact CE2-CD2 4.21Å; F143-F145 HydrophobicContact CE2-CE1 4.11Å; F143-F145 HydrophobicContact CE2-CE2 4.09Å; F143-F145 HydrophobicContact CE2-CG 4.28Å; F143-F145 HydrophobicContact CE2-CZ 4.03Å; F143-F145 HydrophobicContact CZ-CE1 4.28Å; F143-F145 HydrophobicContact CZ-CE2 4.02Å; F143-F145 AromaticContact CZ-CZ 3.85Å; F143-F145 HydrophobicContact CZ-CZ 3.85Å; F145-T175 WeakPolarHBondContact CD2-O 3.36Å; F145-T175 PolarHBondContact N-O 3.33Å; F145-F177 HydrophobicContact CD1-CD2 4.2Å; F145-F177 HydrophobicContact CD2-CB 3.86Å; F145-F177 AromaticContact CD2-CD2 3.65Å; F145-F177 HydrophobicContact CD2-CD2 3.65Å; F145-F177 HydrophobicContact CD2-CG 4.26Å; F145-F177 AromaticContact CE1-CD2 3.97Å; F145-F177 HydrophobicContact CE1-CD2 3.97Å; F145-F177 HydrophobicContact CE1-CE2 4.2Å; F145-F177 HydrophobicContact CE2-CB 4.03Å; F145-F177 AromaticContact CE2-CD2 3.38Å; F145-F177 HydrophobicContact CE2-CD2 3.38Å; F145-F177 HydrophobicContact CE2-CE2 4.24Å; F145-F177 HydrophobicContact CE2-CG 4.11Å; F145-F177 HydrophobicContact CG-CD2 4.06Å; F145-F177 AromaticContact CZ-CD2 3.56Å; F145-F177 HydrophobicContact CZ-CD2 3.56Å; F145-F177 AromaticContact CZ-CE2 3.97Å; F145-F177 HydrophobicContact CZ-CE2 3.97Å; F145-C183 CarbonylContact O-C 3.58Å; F145-C183 WeakPolarHBondContact O-CA 3.4Å; F145-D184 PolarHBondContact O-N 3.21Å; F145-V185 HydrophobicContact CD1-CB 4.14Å; F145-V185 PolarHBondContact O-N 3.3Å; F145-V190 HydrophobicContact CE1-CG2 4.1Å; F145-V190 HydrophobicContact CZ-CG2 4.4Å; F145-H203 HydrophobicContact CE2-CB 4.4Å; F145-H203 AromaticContact CE2-CD2 3.68Å; F145-H203 AromaticContact CZ-CD2 3.52Å; F145-H203 AromaticContact CZ-NE2 3.62Å
146T91.6Very high93.3Very high34 Ų3428.4 Ų28.421%0.20915%0.147CC..THydrogen-bonded Turntrans-94.89.5175.376.80000114.5S144 K176 L179 H182S144-T146 PolarHBondContact O-N 3.29Å; S144-T146 VanDerWaalsContact O-N 3.15Å; S144-T146 PolarHBondContact OG-N 2.69Å; S144-T146 PolarHBondContact OG-OG1 3.28Å; T146-K176 HydrophobicContact CG2-CB 4.16Å; T146-K176 HydrophobicContact CG2-CD 4.38Å; T146-L179 HydrophobicContact CG2-CB 3.68Å; T146-L179 HydrophobicContact CG2-CD1 3.85Å; T146-L179 HydrophobicContact CG2-CG 4.38Å; T146-H182 VanDerWaalsContact CA-O 3.28Å; T146-H182 WeakPolarHBondContact CA-O 3.33Å; T146-H182 HydrophobicContact CG2-CB 3.89Å
147D91.3Very high93.2Very high44 Ų4429.8 Ų29.824%0.23515%0.153CC..  trans-142.493.8177.8176.35.8000109.6S144 T149 S150 F151S144-D147 CarbonylContact O-C 3.51Å; S144-D147 PolarHBondContact O-N 2.97Å; D147-T149 PolarHBondContact O-N 2.95Å; D147-T149 WeakPolarHBondContact OD1-CA 3.46Å; D147-T149 WeakPolarHBondContact OD1-CB 3.49Å; D147-T149 PolarHBondContact OD1-N 2.71Å; D147-T149 PolarHBondContact OD1-OG1 3.09Å; D147-S150 WeakPolarHBondContact O-CB 3.3Å; D147-S150 PolarHBondContact O-N 2.93Å; D147-S150 VanDerWaalsContact O-N 3.1Å; D147-S150 PolarHBondContact O-OG 2.86Å; D147-S150 PolarHBondContact OD1-N 3.25Å; D147-S150 WeakPolarHBondContact OD2-CB 3.35Å; D147-F151 PolarHBondContact O-N 2.88Å
148R92.8Very high93.1Very high100 Ų10028.5 Ų28.538%0.37715%0.146SC..Hα-helixtrans-58.5-30.4177.3-175.4170.3-17382.94.8113S150 F151 Q152 D184 V185 D189R148-S150 VanDerWaalsContact C-N 3.3Å; R148-S150 PolarHBondContact O-N 3.09Å; R148-F151 PolarHBondContact O-N 3.27Å; R148-Q152 WeakPolarHBondContact O-CG 3.14Å; R148-Q152 PolarHBondContact O-N 2.91Å; R148-D184 HydrophobicContact CB-CB 3.98Å; R148-D184 PolarHBondContact NH1-O 3.23Å; R148-V185 HydrophobicContact CB-CG2 4.42Å; R148-D189 IonicContact CZ-OD2 3.36Å; R148-D189 IonicContact NH1-OD2 3.38Å; R148-D189 PolarHBondContact NH1-OD2 3.41Å; R148-D189 IonicContact NH2-OD2 2.66Å; R148-D189 PolarHBondContact NH2-OD2 3.24Å; R148-D189 VanDerWaalsContact NH2-OD2 3.17Å
149T94.1Very high92.8Very high69 Ų6931.2 Ų31.242%0.42316%0.163SC..Hα-helixtrans-70.2-31-179.680.80000111.5K63 D147 F151 D153K63-T149 VanDerWaalsContact CE-O 3.31Å; K63-T149 WeakPolarHBondContact CE-O 3.41Å; K63-T149 VanDerWaalsContact NZ-C 3.31Å; K63-T149 VanDerWaalsContact NZ-CB 3.29Å; K63-T149 PolarHBondContact NZ-O 2.98Å; K63-T149 PolarHBondContact NZ-OG1 3.45Å; D147-T149 PolarHBondContact O-N 2.95Å; D147-T149 WeakPolarHBondContact OD1-CA 3.46Å; D147-T149 WeakPolarHBondContact OD1-CB 3.49Å; D147-T149 PolarHBondContact OD1-N 2.71Å; D147-T149 PolarHBondContact OD1-OG1 3.09Å; T149-F151 VanDerWaalsContact C-N 3.34Å; T149-D153 PolarHBondContact O-N 3.43Å
150S93.9Very high92.3Very high3 Ų335.6 Ų35.62%0.02118%0.182CC..Hα-helixtrans-66.3-37.1172.8730000111.8F143 S144 D147 R148 D153F143-S150 WeakPolarHBondContact CA-OG 3.1Å; F143-S150 WeakPolarHBondContact CB-OG 3.37Å; S144-S150 PolarHBondContact N-OG 2.83Å; D147-S150 WeakPolarHBondContact O-CB 3.3Å; D147-S150 PolarHBondContact O-N 2.93Å; D147-S150 VanDerWaalsContact O-N 3.1Å; D147-S150 PolarHBondContact O-OG 2.86Å; D147-S150 PolarHBondContact OD1-N 3.25Å; D147-S150 WeakPolarHBondContact OD2-CB 3.35Å; R148-S150 VanDerWaalsContact C-N 3.3Å; R148-S150 PolarHBondContact O-N 3.09Å; S150-D153 PolarHBondContact O-N 3.4Å
151F94.7Very high91.7Very high19 Ų1935.7 Ų35.78%0.08318%0.182CC..Hα-helixtrans-68.7-42.4176.9-179-102.6000112F143 D147 R148 T149 D153 L154 V185 D189 V190 F193F143-F151 HydrophobicContact CB-CB 4.27Å; F143-F151 HydrophobicContact CD1-CD2 4.09Å; F143-F151 HydrophobicContact CD2-CB 3.94Å; F143-F151 AromaticContact CD2-CD2 3.68Å; F143-F151 HydrophobicContact CD2-CD2 3.68Å; F143-F151 HydrophobicContact CD2-CG 4.26Å; F143-F151 HydrophobicContact CE1-CD2 4.11Å; F143-F151 HydrophobicContact CE1-CE2 4.4Å; F143-F151 AromaticContact CE2-CD2 3.73Å; F143-F151 HydrophobicContact CE2-CD2 3.73Å; F143-F151 HydrophobicContact CE2-CE2 4.39Å; F143-F151 HydrophobicContact CG-CB 4.25Å; F143-F151 AromaticContact CG-CD2 3.86Å; F143-F151 HydrophobicContact CG-CD2 3.86Å; F143-F151 AromaticContact CZ-CD2 3.93Å; F143-F151 HydrophobicContact CZ-CD2 3.93Å; F143-F151 HydrophobicContact CZ-CE2 4.22Å; D147-F151 PolarHBondContact O-N 2.88Å; R148-F151 PolarHBondContact O-N 3.27Å; T149-F151 VanDerWaalsContact C-N 3.34Å; F151-D153 VanDerWaalsContact C-N 3.27Å; F151-D153 PolarHBondContact O-N 3.17Å; F151-L154 HydrophobicContact CD2-CD1 3.59Å; F151-L154 HydrophobicContact CE2-CD1 3.99Å; F151-L154 HydrophobicContact CG-CD1 4.34Å; F151-L154 WeakPolarHBondContact O-CB 3.5Å; F151-L154 WeakPolarHBondContact O-CG 3.26Å; F151-L154 PolarHBondContact O-N 3.14Å; F151-V185 HydrophobicContact CB-CG1 4.3Å; F151-V185 HydrophobicContact CB-CG2 3.79Å; F151-V185 HydrophobicContact CD1-CG1 4.01Å; F151-V185 HydrophobicContact CD2-CG1 3.85Å; F151-V185 HydrophobicContact CE1-CG1 4.28Å; F151-V185 HydrophobicContact CE2-CG1 4.14Å; F151-V185 HydrophobicContact CG-CG1 3.78Å; F151-V185 HydrophobicContact CG-CG2 4.19Å; F151-V185 HydrophobicContact CZ-CG1 4.34Å; F151-D189 HydrophobicContact CE1-CB 4.04Å; F151-D189 HydrophobicContact CZ-CB 4.34Å; F151-V190 HydrophobicContact CE2-CG2 4.12Å; F151-V190 HydrophobicContact CZ-CG2 4.46Å; F151-F193 HydrophobicContact CE2-CB 4.32Å; F151-F193 HydrophobicContact CE2-CD2 4.47Å; F151-F193 HydrophobicContact CE2-CG 4.3Å; F151-F193 HydrophobicContact CZ-CB 3.75Å; F151-F193 HydrophobicContact CZ-CD2 4.18Å; F151-F193 HydrophobicContact CZ-CG 4.07Å
152Q92.8Very high90.9Very high112 Ų11238.5 Ų38.552%0.52320%0.199SC..Hα-helixtrans-62.4-35.7177.4-71.9173.8-22.600112.4R148 L154 S155R148-Q152 WeakPolarHBondContact O-CG 3.14Å; R148-Q152 PolarHBondContact O-N 2.91Å; Q152-L154 VanDerWaalsContact C-N 3.28Å; Q152-L154 PolarHBondContact O-N 2.84Å; Q152-S155 PolarHBondContact O-OG 3.07Å
153D92.6Very high89.7Confident31 Ų3145.9 Ų45.917%0.16623%0.234CC..Hα-helixtrans-71.3-17.8-179.7-166.355.3000114T149 S150 F151 S155 N156 Q157T149-D153 PolarHBondContact O-N 3.43Å; S150-D153 PolarHBondContact O-N 3.4Å; F151-D153 VanDerWaalsContact C-N 3.27Å; F151-D153 PolarHBondContact O-N 3.17Å; D153-S155 PolarHBondContact O-N 2.98Å; D153-S155 VanDerWaalsContact O-N 3.17Å; D153-N156 WeakPolarHBondContact O-CB 3.4Å; D153-N156 PolarHBondContact O-N 2.88Å; D153-N156 VanDerWaalsContact O-N 3.1Å; D153-N156 PolarHBondContact OD1-ND2 3.22Å; D153-Q157 WeakPolarHBondContact O-CG 3.35Å; D153-Q157 PolarHBondContact O-N 3.33Å; D153-Q157 WeakPolarHBondContact OD2-CG 3.21Å; D153-Q157 PolarHBondContact OD2-NE2 3.49Å
154L93.1Very high88.1Confident4 Ų448.8 Ų48.82%0.02125%0.254CS..Hα-helixtrans-52.6-41.4179.2-70.7172.8000112.6F141 F143 F151 Q152 N156 Q157 I158 V172 F193F141-L154 HydrophobicContact CB-CD2 3.81Å; F143-L154 HydrophobicContact CB-CD1 4.06Å; F143-L154 HydrophobicContact CB-CD2 4.22Å; F143-L154 HydrophobicContact CB-CG 4.2Å; F143-L154 HydrophobicContact CD1-CD1 3.63Å; F143-L154 HydrophobicContact CD1-CD2 4.46Å; F143-L154 HydrophobicContact CE1-CD1 4.31Å; F143-L154 HydrophobicContact CG-CD1 4.01Å; F151-L154 HydrophobicContact CD2-CD1 3.59Å; F151-L154 HydrophobicContact CE2-CD1 3.99Å; F151-L154 HydrophobicContact CG-CD1 4.34Å; F151-L154 WeakPolarHBondContact O-CB 3.5Å; F151-L154 WeakPolarHBondContact O-CG 3.26Å; F151-L154 PolarHBondContact O-N 3.14Å; Q152-L154 VanDerWaalsContact C-N 3.28Å; Q152-L154 PolarHBondContact O-N 2.84Å; L154-N156 PolarHBondContact O-N 3.41Å; L154-Q157 PolarHBondContact O-N 3.1Å; L154-I158 HydrophobicContact CB-CD1 4.47Å; L154-I158 WeakPolarHBondContact O-CB 3.35Å; L154-I158 WeakPolarHBondContact O-CD1 3.32Å; L154-I158 VanDerWaalsContact O-CG1 3.23Å; L154-I158 WeakPolarHBondContact O-CG1 3.47Å; L154-I158 PolarHBondContact O-N 3.46Å; L154-V172 HydrophobicContact CD1-CG1 4.01Å; L154-V172 HydrophobicContact CD2-CG1 4.31Å; L154-F193 HydrophobicContact CB-CE2 3.88Å; L154-F193 HydrophobicContact CB-CZ 3.95Å; L154-F193 HydrophobicContact CD1-CE2 4.18Å; L154-F193 HydrophobicContact CD1-CZ 4.05Å
155S91.6Very high86.6Confident38 Ų3850.8 Ų50.827%0.26627%0.266SS..Hα-helixtrans-57.8-48.9179.457.20000111.8Q152 D153 Q157 I158 T159Q152-S155 PolarHBondContact O-OG 3.07Å; D153-S155 PolarHBondContact O-N 2.98Å; D153-S155 VanDerWaalsContact O-N 3.17Å; S155-Q157 PolarHBondContact O-N 3.44Å; S155-I158 PolarHBondContact O-N 3.37Å; S155-T159 PolarHBondContact O-N 3.38Å; S155-T159 PolarHBondContact O-OG1 3.01Å
156N90.1Very high85.2Confident101 Ų10158.4 Ų58.454%0.5431%0.307SS..Hα-helixtrans-62.3-44177.3-62.4-28.1000111.5D153 L154 T159 K160D153-N156 WeakPolarHBondContact O-CB 3.4Å; D153-N156 PolarHBondContact O-N 2.88Å; D153-N156 VanDerWaalsContact O-N 3.1Å; D153-N156 PolarHBondContact OD1-ND2 3.22Å; L154-N156 PolarHBondContact O-N 3.41Å; N156-T159 PolarHBondContact O-N 3.23Å; N156-K160 WeakPolarHBondContact O-CB 3.35Å; N156-K160 PolarHBondContact O-N 3.26Å
157Q88.7Confident84.4Confident37 Ų3759.6 Ų59.617%0.17332%0.316CS..Hα-helixtrans-62.4-46.6178.7-62.4-64.1-24.100110.9S61 F141 D153 L154 S155 T159 K160 W161S61-Q157 PolarHBondContact OG-OE1 3.47Å; F141-Q157 HydrophobicContact CD1-CB 3.75Å; F141-Q157 HydrophobicContact CE1-CB 3.78Å; D153-Q157 WeakPolarHBondContact O-CG 3.35Å; D153-Q157 PolarHBondContact O-N 3.33Å; D153-Q157 WeakPolarHBondContact OD2-CG 3.21Å; D153-Q157 PolarHBondContact OD2-NE2 3.49Å; L154-Q157 PolarHBondContact O-N 3.1Å; S155-Q157 PolarHBondContact O-N 3.44Å; Q157-T159 PolarHBondContact O-N 2.81Å; Q157-K160 PolarHBondContact O-N 3.35Å; Q157-W161 VanDerWaalsContact O-CD1 3.24Å; Q157-W161 PolarHBondContact O-N 2.84Å; Q157-W161 VanDerWaalsContact O-N 3.16Å
158I90Very high84.3Confident2 Ų258 Ų581%0.0131%0.308CS..Hα-helixtrans-62.7-43.1-179.4-69.7160.3000111.2F141 L154 S155 W161 T162 K170 V172 F193 W197 L199F141-I158 HydrophobicContact CD1-CG1 4.03Å; F141-I158 HydrophobicContact CD2-CG1 3.91Å; F141-I158 HydrophobicContact CE1-CG1 3.97Å; F141-I158 HydrophobicContact CE2-CG1 3.86Å; F141-I158 HydrophobicContact CG-CG1 3.99Å; F141-I158 HydrophobicContact CZ-CB 4.44Å; F141-I158 HydrophobicContact CZ-CG1 3.89Å; L154-I158 HydrophobicContact CB-CD1 4.47Å; L154-I158 WeakPolarHBondContact O-CB 3.35Å; L154-I158 WeakPolarHBondContact O-CD1 3.32Å; L154-I158 VanDerWaalsContact O-CG1 3.23Å; L154-I158 WeakPolarHBondContact O-CG1 3.47Å; L154-I158 PolarHBondContact O-N 3.46Å; S155-I158 PolarHBondContact O-N 3.37Å; I158-W161 PolarHBondContact O-N 3.01Å; I158-T162 WeakPolarHBondContact O-CB 3.32Å; I158-T162 PolarHBondContact O-N 3.46Å; I158-T162 PolarHBondContact O-OG1 3.15Å; I158-K170 HydrophobicContact CG2-CD 4.37Å; I158-V172 HydrophobicContact CD1-CG2 4.45Å; I158-F193 HydrophobicContact CD1-CE1 4.36Å; I158-F193 HydrophobicContact CD1-CE2 4.36Å; I158-F193 HydrophobicContact CD1-CZ 3.51Å; I158-W197 HydrophobicContact CB-CE3 4.38Å; I158-W197 HydrophobicContact CB-CZ3 4.14Å; I158-W197 HydrophobicContact CD1-CD2 4.44Å; I158-W197 HydrophobicContact CG2-CE3 3.62Å; I158-W197 HydrophobicContact CG2-CH2 4.35Å; I158-W197 HydrophobicContact CG2-CZ3 3.51Å; I158-L199 HydrophobicContact CD1-CD1 3.68Å; I158-L199 HydrophobicContact CG1-CD1 4.18Å; I158-L199 HydrophobicContact CG2-CD1 4.19Å
159T88.4Confident84.3Confident56 Ų5653.8 Ų53.834%0.34429%0.293SS..Hα-helixtrans-59.3-48.9176.2-57.30000110.9S155 N156 Q157 W161 T162 E163S155-T159 PolarHBondContact O-N 3.38Å; S155-T159 PolarHBondContact O-OG1 3.01Å; N156-T159 PolarHBondContact O-N 3.23Å; Q157-T159 PolarHBondContact O-N 2.81Å; T159-W161 PolarHBondContact O-N 2.83Å; T159-W161 VanDerWaalsContact O-N 3.13Å; T159-T162 PolarHBondContact O-N 3.06Å; T159-E163 WeakPolarHBondContact CG2-OE1 3.33Å; T159-E163 WeakPolarHBondContact O-CG 3.28Å; T159-E163 PolarHBondContact O-N 2.82Å
160K84.5Confident84.3Confident92 Ų9252.1 Ų52.140%0.428%0.28SS..Hα-helixtrans-57.7-30.2179179.9175.9-179.5179.20114.1K133 N156 Q157 S164K133-K160 PolarHBondContact NZ-O 3.3Å; N156-K160 WeakPolarHBondContact O-CB 3.35Å; N156-K160 PolarHBondContact O-N 3.26Å; Q157-K160 PolarHBondContact O-N 3.35Å; K160-S164 PolarHBondContact O-OG 2.86Å
161W82.8Confident84.3Confident3 Ų352 Ų521%0.01128%0.279CS..Hα-helixtrans-90.6-25.4176.9-80.395.5000113.1F59 L129 K133 V136 V139 F141 Q157 I158 T159 L168F59-W161 HydrophobicContact CB-CH2 4.16Å; F59-W161 AromaticContact CD1-CH2 3.64Å; F59-W161 HydrophobicContact CD1-CH2 3.64Å; F59-W161 AromaticContact CD1-CZ2 3.18Å; F59-W161 HydrophobicContact CD1-CZ2 3.18Å; F59-W161 HydrophobicContact CE1-CH2 4.24Å; F59-W161 AromaticContact CE1-CZ2 3.44Å; F59-W161 HydrophobicContact CE1-CZ2 3.44Å; F59-W161 VanDerWaalsContact CE1-CZ2 3.44Å; F59-W161 AromaticContact CG-CH2 3.96Å; F59-W161 HydrophobicContact CG-CH2 3.96Å; F59-W161 AromaticContact CG-CZ2 3.96Å; F59-W161 HydrophobicContact CG-CZ2 3.96Å; F59-W161 HydrophobicContact CZ-CZ2 4.38Å; L129-W161 HydrophobicContact CD1-CZ2 4.42Å; K133-W161 HydrophobicContact CB-CH2 4.27Å; K133-W161 HydrophobicContact CB-CZ3 4.24Å; K133-W161 HydrophobicContact CG-CE3 4.26Å; K133-W161 HydrophobicContact CG-CH2 3.45Å; K133-W161 VanDerWaalsContact CG-CH2 3.45Å; K133-W161 HydrophobicContact CG-CZ2 4.03Å; K133-W161 HydrophobicContact CG-CZ3 3.58Å; V136-W161 HydrophobicContact CB-CZ3 4.43Å; V136-W161 HydrophobicContact CG1-CH2 4.47Å; V136-W161 HydrophobicContact CG1-CZ3 3.78Å; V139-W161 HydrophobicContact CG1-CD2 4.47Å; V139-W161 HydrophobicContact CG2-CD2 3.64Å; V139-W161 HydrophobicContact CG2-CE3 3.47Å; V139-W161 VanDerWaalsContact CG2-CE3 3.47Å; V139-W161 HydrophobicContact CG2-CG 4.27Å; V139-W161 HydrophobicContact CG2-CH2 3.97Å; V139-W161 HydrophobicContact CG2-CZ2 4.2Å; V139-W161 HydrophobicContact CG2-CZ3 3.6Å; F141-W161 HydrophobicContact CE1-CB 4.43Å; F141-W161 AromaticContact CE1-CD1 3.61Å; F141-W161 HydrophobicContact CE1-CG 4.18Å; F141-W161 HydrophobicContact CZ-CB 3.88Å; F141-W161 AromaticContact CZ-CD1 3.86Å; F141-W161 AromaticContact CZ-CG 3.97Å; F141-W161 HydrophobicContact CZ-CG 3.97Å; Q157-W161 VanDerWaalsContact O-CD1 3.24Å; Q157-W161 PolarHBondContact O-N 2.84Å; Q157-W161 VanDerWaalsContact O-N 3.16Å; I158-W161 PolarHBondContact O-N 3.01Å; T159-W161 PolarHBondContact O-N 2.83Å; T159-W161 VanDerWaalsContact O-N 3.13Å; W161-L168 HydrophobicContact CB-CD2 4.17Å; W161-L168 HydrophobicContact CD2-CD2 4.39Å; W161-L168 HydrophobicContact CE3-CD2 3.65Å; W161-L168 HydrophobicContact CZ3-CD2 4.39Å
162T79.3Confident84.4Confident60 Ų6051 Ų5137%0.36828%0.275SS..Hα-helixtrans-74.6-37.3178-57.70000111.6I158 T159 S164 K170I158-T162 WeakPolarHBondContact O-CB 3.32Å; I158-T162 PolarHBondContact O-N 3.46Å; I158-T162 PolarHBondContact O-OG1 3.15Å; T159-T162 PolarHBondContact O-N 3.06Å; T162-S164 PolarHBondContact O-N 3.28Å; T162-K170 WeakPolarHBondContact OG1-CE 3.5Å; T162-K170 PolarHBondContact OG1-NZ 2.84Å
163E69.5Low84.6Confident156 Ų15645.7 Ų45.773%0.72925%0.25SC*.THydrogen-bonded Turntrans-64.3-20.3175.4-69.4171.5-179.200113.5T159T159-E163 WeakPolarHBondContact CG2-OE1 3.33Å; T159-E163 WeakPolarHBondContact O-CG 3.28Å; T159-E163 PolarHBondContact O-N 2.82Å
164S61.9Low84.6Confident60 Ų6044.2 Ų44.242%0.4224%0.242SC..THydrogen-bonded Turntrans-95.5-22.3-172.5-51.30000114.1K133 K160 T162K133-S164 PolarHBondContact NZ-OG 2.93Å; K160-S164 PolarHBondContact O-OG 2.86Å; T162-S164 PolarHBondContact O-N 3.28Å
165T62.4Low84.6Confident42 Ų4244.4 Ų44.426%0.25824%0.243SC..  trans-158.3111.3-166.5-440000111.9C167 L168T165-C167 VanDerWaalsContact C-N 3.31Å; T165-C167 PolarHBondContact O-N 2.93Å; T165-L168 HydrophobicContact CG2-CB 3.99Å
166D64Low84.5Confident164 Ų16445.9 Ų45.988%0.87725%0.245SC*.THydrogen-bonded Turntrans-69.3-26.2-178.7-83.7-21.5000113.6
167C74.8Confident84.3Confident58 Ų5845.2 Ų45.239%0.39224%0.237SC..THydrogen-bonded Turntrans-117.263.5-178.1-68.90000110.9T165 Q229 R233T165-C167 VanDerWaalsContact C-N 3.31Å; T165-C167 PolarHBondContact O-N 2.93Å; C167-Q229 VanDerWaalsContact O-CD 3.3Å; C167-Q229 PolarHBondContact O-NE2 3.07Å; C167-Q229 PolarHBondContact O-OE1 3.35Å; C167-R233 PolarHBondContact O-NH2 3.18Å
168L89Confident84Confident12 Ų1246.8 Ų46.86%0.06325%0.247CC..  trans-119.8125.3178.1178.560.2000111.4V136 D137 V139 W161 T165 K170V136-L168 HydrophobicContact CG1-CD1 3.28Å; V136-L168 HydrophobicContact CG1-CD2 4.42Å; V136-L168 HydrophobicContact CG1-CG 4.47Å; D137-L168 WeakPolarHBondContact O-CD1 3.48Å; V139-L168 HydrophobicContact CG2-CD1 4.13Å; V139-L168 HydrophobicContact CG2-CD2 3.71Å; V139-L168 HydrophobicContact CG2-CG 4.27Å; W161-L168 HydrophobicContact CB-CD2 4.17Å; W161-L168 HydrophobicContact CD2-CD2 4.39Å; W161-L168 HydrophobicContact CE3-CD2 3.65Å; W161-L168 HydrophobicContact CZ3-CD2 4.39Å; T165-L168 HydrophobicContact CG2-CB 3.99Å; L168-K170 HydrophobicContact CG-CG 4.38Å
169V92.5Very high83.6Confident10 Ų1050 Ų506%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-70.8130.9172.5169.60000109.8D137 A138 V139 V171 N225 L226 Q229D137-V169 PolarHBondContact O-N 3.1Å; A138-V169 CarbonylContact C-O 3.56Å; A138-V169 WeakPolarHBondContact CA-O 3.49Å; A138-V169 HydrophobicContact CB-CB 3.8Å; A138-V169 HydrophobicContact CB-CG1 3.99Å; V139-V169 PolarHBondContact N-O 2.82Å; V169-V171 HydrophobicContact CG1-CG2 4.08Å; V169-N225 HydrophobicContact CB-CB 4.47Å; V169-N225 HydrophobicContact CG1-CB 3.55Å; V169-N225 HydrophobicContact CG2-CB 4.03Å; V169-N225 WeakPolarHBondContact CG2-O 3.47Å; V169-L226 HydrophobicContact CB-CD2 4.29Å; V169-L226 HydrophobicContact CG2-CD2 4.07Å; V169-L226 HydrophobicContact CG2-CG 4.44Å; V169-Q229 HydrophobicContact CG2-CB 4.09Å
170K93.7Very high83Confident34 Ų3454.2 Ų54.215%0.14828%0.277CS..EExtended strand (participates in β ladder)trans-124.1120.5-178-61-179.4-173.7119.80109F141 I158 T162 L168 L199F141-K170 HydrophobicContact CD2-CB 4.49Å; F141-K170 HydrophobicContact CE2-CB 3.92Å; F141-K170 HydrophobicContact CE2-CD 4.25Å; F141-K170 HydrophobicContact CE2-CG 3.95Å; I158-K170 HydrophobicContact CG2-CD 4.37Å; T162-K170 WeakPolarHBondContact OG1-CE 3.5Å; T162-K170 PolarHBondContact OG1-NZ 2.84Å; L168-K170 HydrophobicContact CG-CG 4.38Å; K170-L199 HydrophobicContact CB-CD1 4.17Å; K170-L199 HydrophobicContact CB-CD2 3.81Å
171V94.9Very high82.6Confident0 Ų057 Ų570%029%0.294CS..EExtended strand (participates in β ladder)trans-130.8140.3177.1179.10000108.7V139 L140 F141 V169 P200 L202 L222V139-V171 PolarHBondContact O-N 2.89Å; L140-V171 CarbonylContact C-O 3.55Å; L140-V171 WeakPolarHBondContact CA-O 3.48Å; L140-V171 HydrophobicContact CD2-CB 3.77Å; L140-V171 HydrophobicContact CD2-CG1 4.09Å; F141-V171 PolarHBondContact N-O 2.93Å; V169-V171 HydrophobicContact CG1-CG2 4.08Å; V171-P200 HydrophobicContact CB-CG 4.26Å; V171-P200 HydrophobicContact CG1-CG 4.15Å; V171-P200 HydrophobicContact CG2-CG 3.9Å; V171-L202 HydrophobicContact CG1-CD1 4.14Å; V171-L222 HydrophobicContact CG2-CD2 4.02Å
172V96.2Very high82.4Confident0 Ų062.7 Ų62.70%032%0.32CS..EExtended strand (participates in β ladder)trans-108.5136-179.7179.40000109.2F141 F143 L154 I158 F193 L199 P200 V201 L202F141-V172 HydrophobicContact CB-CG2 4.11Å; F141-V172 CarbonylContact O-C 3.58Å; F141-V172 VanDerWaalsContact O-CA 3.26Å; F141-V172 WeakPolarHBondContact O-CA 3.48Å; F143-V172 HydrophobicContact CD1-CG1 3.9Å; F143-V172 HydrophobicContact CE1-CG1 3.89Å; L154-V172 HydrophobicContact CD1-CG1 4.01Å; L154-V172 HydrophobicContact CD2-CG1 4.31Å; I158-V172 HydrophobicContact CD1-CG2 4.45Å; V172-F193 HydrophobicContact CG2-CE1 4.02Å; V172-F193 HydrophobicContact CG2-CZ 4.45Å; V172-L199 HydrophobicContact CG2-CB 4.41Å; V172-L199 HydrophobicContact CG2-CD1 4.29Å; V172-P200 PolarHBondContact N-O 3.18Å; V172-V201 HydrophobicContact CB-CB 4.35Å; V172-V201 HydrophobicContact CB-CG1 4.36Å; V172-V201 HydrophobicContact CB-CG2 3.83Å; V172-V201 HydrophobicContact CG1-CG1 4.05Å; V172-V201 HydrophobicContact CG1-CG2 4.01Å; V172-V201 HydrophobicContact CG2-CG2 4.45Å; V172-V201 WeakPolarHBondContact O-CA 3.21Å; V172-L202 PolarHBondContact O-N 2.91Å
173V95.9Very high82.6Confident0 Ų062.7 Ų62.70%032%0.322CS..EExtended strand (participates in β ladder)trans-127.1116.9179.3-174.80000109.9L71 L140 F141 L142 F143 L202 I218L71-V173 HydrophobicContact CD1-CG1 4.2Å; L71-V173 HydrophobicContact CD2-CB 4.14Å; L71-V173 HydrophobicContact CD2-CG1 3.89Å; L71-V173 HydrophobicContact CD2-CG2 4.25Å; L140-V173 HydrophobicContact CD2-CG2 4.28Å; F141-V173 PolarHBondContact O-N 2.55Å; L142-V173 WeakPolarHBondContact CA-O 3.41Å; L142-V173 HydrophobicContact CD1-CB 4.16Å; L142-V173 HydrophobicContact CG-CB 4.26Å; F143-V173 PolarHBondContact N-O 3.34Å; V173-L202 CarbonylContact C-O 3.6Å; V173-L202 VanDerWaalsContact CA-O 3.31Å; V173-L202 WeakPolarHBondContact CA-O 3.19Å; V173-I218 HydrophobicContact CG1-CD1 3.99Å; V173-I218 HydrophobicContact CG2-CD1 4.47Å
174G94.3Very high83.3Confident0 Ų059.7 Ų59.70%031%0.311CS..EExtended strand (participates in β ladder)trans-86.2115.6170.700000110.6F143 L202 H203 S204F143-G174 CarbonylContact O-C 3.58Å; F143-G174 WeakPolarHBondContact O-CA 3.5Å; G174-L202 PolarHBondContact N-O 3.13Å; G174-H203 CarbonylContact O-C 3.6Å; G174-H203 WeakPolarHBondContact O-CA 3.09Å; G174-S204 PolarHBondContact O-N 3.14Å
175T92.3Very high84.6Confident7 Ų756.9 Ų56.94%0.04329%0.291CS..EExtended strand (participates in β ladder)trans-95.2167.1-178.764.20000112V66 L142 F143 S144 F145 F177 S204V66-T175 WeakPolarHBondContact O-CB 3.48Å; V66-T175 PolarHBondContact O-OG1 2.82Å; L142-T175 HydrophobicContact CD2-CG2 4.06Å; L142-T175 HydrophobicContact CG-CG2 4.22Å; F143-T175 PolarHBondContact O-N 2.88Å; F143-T175 PolarHBondContact O-OG1 3.09Å; F143-T175 VanDerWaalsContact O-OG1 3.1Å; S144-T175 WeakPolarHBondContact CA-OG1 3.48Å; F145-T175 WeakPolarHBondContact CD2-O 3.36Å; F145-T175 PolarHBondContact N-O 3.33Å; T175-F177 PolarHBondContact O-N 3.4Å; T175-S204 CarbonylContact C-O 3.48Å; T175-S204 VanDerWaalsContact C-O 3.32Å; T175-S204 VanDerWaalsContact CA-O 3.22Å; T175-S204 WeakPolarHBondContact CA-O 3.41Å
176K89.3Confident85.8Confident70 Ų7056.6 Ų56.630%0.30429%0.293SS..  trans57.532.2-179.7-49.5-172.6-160.6167.60112.7G65 S144 T146 D178 L179 S204G65-K176 WeakPolarHBondContact O-CE 3.36Å; G65-K176 PolarHBondContact O-NZ 2.81Å; S144-K176 WeakPolarHBondContact OG-CD 3.46Å; T146-K176 HydrophobicContact CG2-CB 4.16Å; T146-K176 HydrophobicContact CG2-CD 4.38Å; K176-D178 PolarHBondContact O-N 3.29Å; K176-L179 HydrophobicContact CB-CD1 4.04Å; K176-L179 HydrophobicContact CB-CG 4.3Å; K176-L179 HydrophobicContact CD-CD1 4.08Å; K176-L179 HydrophobicContact CG-CD1 4.47Å; K176-L179 PolarHBondContact O-N 3.5Å; K176-L179 VanDerWaalsContact O-N 3.08Å; K176-S204 PolarHBondContact N-O 2.84Å
177F85.1Confident86.9Confident86 Ų8653.6 Ų53.638%0.37727%0.274SS..THydrogen-bonded Turntrans-62.3-22.6-179.8-174.8-111.5000112.7F145 T175 L179 H203 S204F145-F177 HydrophobicContact CD1-CD2 4.2Å; F145-F177 HydrophobicContact CD2-CB 3.86Å; F145-F177 AromaticContact CD2-CD2 3.65Å; F145-F177 HydrophobicContact CD2-CD2 3.65Å; F145-F177 HydrophobicContact CD2-CG 4.26Å; F145-F177 AromaticContact CE1-CD2 3.97Å; F145-F177 HydrophobicContact CE1-CD2 3.97Å; F145-F177 HydrophobicContact CE1-CE2 4.2Å; F145-F177 HydrophobicContact CE2-CB 4.03Å; F145-F177 AromaticContact CE2-CD2 3.38Å; F145-F177 HydrophobicContact CE2-CD2 3.38Å; F145-F177 HydrophobicContact CE2-CE2 4.24Å; F145-F177 HydrophobicContact CE2-CG 4.11Å; F145-F177 HydrophobicContact CG-CD2 4.06Å; F145-F177 AromaticContact CZ-CD2 3.56Å; F145-F177 HydrophobicContact CZ-CD2 3.56Å; F145-F177 AromaticContact CZ-CE2 3.97Å; F145-F177 HydrophobicContact CZ-CE2 3.97Å; T175-F177 PolarHBondContact O-N 3.4Å; F177-L179 VanDerWaalsContact C-N 3.31Å; F177-L179 PolarHBondContact O-N 2.98Å; F177-H203 HydrophobicContact CB-CB 4.19Å; F177-H203 HydrophobicContact CD1-CB 4.18Å; F177-H203 HydrophobicContact CD2-CB 4.21Å; F177-H203 AromaticContact CE2-ND1 3.73Å; F177-H203 HydrophobicContact CG-CB 3.93Å; F177-H203 AromaticContact CZ-ND1 3.85Å; F177-S204 PolarHBondContact N-O 3.38Å
178D82.5Confident87.7Confident70 Ų7059.2 Ų59.237%0.37429%0.287SS..THydrogen-bonded Turntrans-71.6-18.7174.955-67.5000114.6K176 F180 G205 G206K176-D178 PolarHBondContact O-N 3.29Å; D178-F180 WeakPolarHBondContact O-CD1 3.19Å; D178-F180 PolarHBondContact O-N 2.88Å; D178-G205 WeakPolarHBondContact OD1-CA 3.24Å; D178-G206 VanDerWaalsContact CB-N 3.26Å; D178-G206 PolarHBondContact OD1-N 2.9Å
179L82.5Confident87.9Confident69 Ų6960 Ų6036%0.36129%0.291SS..  trans-85.356.1-179.7-60.4-176000111.1T146 K176 F177 M181 H182 C183T146-L179 HydrophobicContact CG2-CB 3.68Å; T146-L179 HydrophobicContact CG2-CD1 3.85Å; T146-L179 HydrophobicContact CG2-CG 4.38Å; K176-L179 HydrophobicContact CB-CD1 4.04Å; K176-L179 HydrophobicContact CB-CG 4.3Å; K176-L179 HydrophobicContact CD-CD1 4.08Å; K176-L179 HydrophobicContact CG-CD1 4.47Å; K176-L179 PolarHBondContact O-N 3.5Å; K176-L179 VanDerWaalsContact O-N 3.08Å; F177-L179 VanDerWaalsContact C-N 3.31Å; F177-L179 PolarHBondContact O-N 2.98Å; L179-M181 PolarHBondContact O-N 2.67Å; L179-H182 CarbonylContact O-C 3.55Å; L179-H182 PolarHBondContact O-N 3.35Å; L179-C183 PolarHBondContact O-N 3.17Å
180F75.1Confident87.9Confident146 Ų14659.7 Ų59.764%0.6429%0.289SS*.G310 helixtrans-57.3-33.9-173.165.8-86.3000113.7D178 H182 C183D178-F180 WeakPolarHBondContact O-CD1 3.19Å; D178-F180 PolarHBondContact O-N 2.88Å; F180-H182 PolarHBondContact O-N 3.12Å; F180-C183 VanDerWaalsContact O-CB 3.29Å; F180-C183 WeakPolarHBondContact O-CB 3.39Å; F180-C183 PolarHBondContact O-N 2.78Å
181M76.8Confident87.8Confident150 Ų15065 Ų6574%0.73931%0.309SS*.G310 helixtrans-68.8-17.4176.7-65.7-56.5-16500113.8L179L179-M181 PolarHBondContact O-N 2.67Å
182H77.6Confident87.7Confident122 Ų12271 Ų7157%0.56533%0.334SS*.G310 helixtrans-113.621.4178.8-59.3-60.8000111.7T146 L179 F180 D184T146-H182 VanDerWaalsContact CA-O 3.28Å; T146-H182 WeakPolarHBondContact CA-O 3.33Å; T146-H182 HydrophobicContact CG2-CB 3.89Å; L179-H182 CarbonylContact O-C 3.55Å; L179-H182 PolarHBondContact O-N 3.35Å; F180-H182 PolarHBondContact O-N 3.12Å; H182-D184 PolarHBondContact O-N 3.43Å
183C83.7Confident87.5Confident61 Ų6171.9 Ų71.941%0.41234%0.338SS..  trans-74.3109.9-177.2-169.30000111.1F145 L179 F180 V185F145-C183 CarbonylContact O-C 3.58Å; F145-C183 WeakPolarHBondContact O-CA 3.4Å; L179-C183 PolarHBondContact O-N 3.17Å; F180-C183 VanDerWaalsContact O-CB 3.29Å; F180-C183 WeakPolarHBondContact O-CB 3.39Å; F180-C183 PolarHBondContact O-N 2.78Å; C183-V185 PolarHBondContact SG-O 3.31Å
184D85.4Confident87.4Confident93 Ų9375.1 Ų75.150%0.49735%0.353SS..  trans-98.4-6.7177.1-72.5-23.4000113F145 R148 H182F145-D184 PolarHBondContact O-N 3.21Å; R148-D184 HydrophobicContact CB-CB 3.98Å; R148-D184 PolarHBondContact NH1-O 3.23Å; H182-D184 PolarHBondContact O-N 3.43Å
185V88.1Confident87.2Confident1 Ų181.9 Ų81.91%0.00639%0.385CS..SBendtrans-118105-178.5-175.40000109.7F143 F145 R148 F151 C183 V190F143-V185 HydrophobicContact CD2-CG2 4.45Å; F143-V185 HydrophobicContact CE2-CB 4.38Å; F143-V185 HydrophobicContact CE2-CG1 4.04Å; F143-V185 HydrophobicContact CE2-CG2 4.47Å; F145-V185 HydrophobicContact CD1-CB 4.14Å; F145-V185 PolarHBondContact O-N 3.3Å; R148-V185 HydrophobicContact CB-CG2 4.42Å; F151-V185 HydrophobicContact CB-CG1 4.3Å; F151-V185 HydrophobicContact CB-CG2 3.79Å; F151-V185 HydrophobicContact CD1-CG1 4.01Å; F151-V185 HydrophobicContact CD2-CG1 3.85Å; F151-V185 HydrophobicContact CE1-CG1 4.28Å; F151-V185 HydrophobicContact CE2-CG1 4.14Å; F151-V185 HydrophobicContact CG-CG1 3.78Å; F151-V185 HydrophobicContact CG-CG2 4.19Å; F151-V185 HydrophobicContact CZ-CG1 4.34Å; C183-V185 PolarHBondContact SG-O 3.31Å; V185-V190 HydrophobicContact CG1-CG2 3.84Å
186A88.5Confident87.2Confident36 Ų3686.6 Ų86.630%0.29841%0.414SS..  trans-70.4143.518000000111.8R188 D189 V190A186-R188 HydrophobicContact CB-CG 3.86Å; A186-R188 PolarHBondContact O-N 3.23Å; A186-R188 VanDerWaalsContact O-N 3.08Å; A186-D189 WeakPolarHBondContact O-CA 3.39Å; A186-D189 WeakPolarHBondContact O-CB 3.45Å; A186-D189 PolarHBondContact O-N 3.17Å; A186-V190 PolarHBondContact O-N 3.42Å
187E87.4Confident87.2Confident100 Ų10087.2 Ų87.247%0.46742%0.415SS..Hα-helixtrans-54.8-33.2177.2-70.7-167.3-179.200113.3D189 V190 R191E187-D189 PolarHBondContact O-N 3.4Å; E187-V190 WeakPolarHBondContact O-CB 3.37Å; E187-V190 PolarHBondContact O-N 2.79Å; E187-R191 WeakPolarHBondContact O-CG 3.23Å; E187-R191 PolarHBondContact O-N 3.33Å; E187-R191 IonicContact OE2-NH2 3.37Å; E187-R191 PolarHBondContact OE2-NH2 2.91Å
188R91.8Very high87.4Confident176 Ų17692.6 Ų92.666%0.66443%0.432SS*.Hα-helixtrans-59.9-35.5175.569.8-175.2-178.8-169-5.1112.4A186 K192A186-R188 HydrophobicContact CB-CG 3.86Å; A186-R188 PolarHBondContact O-N 3.23Å; A186-R188 VanDerWaalsContact O-N 3.08Å; R188-K192 VanDerWaalsContact O-CG 3.3Å; R188-K192 WeakPolarHBondContact O-CG 3.47Å; R188-K192 PolarHBondContact O-N 2.94Å; R188-K192 VanDerWaalsContact O-N 3.09Å
189D92.6Very high87.8Confident28 Ų2890.7 Ų90.715%0.1542%0.422CS..Hα-helixtrans-72.5-40.1179-65.3-11.5000109.1R148 F151 A186 E187 K192 F193R148-D189 IonicContact CZ-OD2 3.36Å; R148-D189 IonicContact NH1-OD2 3.38Å; R148-D189 PolarHBondContact NH1-OD2 3.41Å; R148-D189 IonicContact NH2-OD2 2.66Å; R148-D189 PolarHBondContact NH2-OD2 3.24Å; R148-D189 VanDerWaalsContact NH2-OD2 3.17Å; F151-D189 HydrophobicContact CE1-CB 4.04Å; F151-D189 HydrophobicContact CZ-CB 4.34Å; A186-D189 WeakPolarHBondContact O-CA 3.39Å; A186-D189 WeakPolarHBondContact O-CB 3.45Å; A186-D189 PolarHBondContact O-N 3.17Å; E187-D189 PolarHBondContact O-N 3.4Å; D189-K192 PolarHBondContact O-N 3.2Å; D189-F193 WeakPolarHBondContact O-CB 3.34Å; D189-F193 PolarHBondContact O-N 3.47Å
190V91.9Very high88.2Confident5 Ų589.2 Ų89.23%0.0342%0.416CS..Hα-helixtrans-62.1-44.8174.3-178.10000111.6F143 F145 F151 V185 A186 E187 F193 Q194 V201F143-V190 HydrophobicContact CZ-CG2 4.14Å; F145-V190 HydrophobicContact CE1-CG2 4.1Å; F145-V190 HydrophobicContact CZ-CG2 4.4Å; F151-V190 HydrophobicContact CE2-CG2 4.12Å; F151-V190 HydrophobicContact CZ-CG2 4.46Å; V185-V190 HydrophobicContact CG1-CG2 3.84Å; A186-V190 PolarHBondContact O-N 3.42Å; E187-V190 WeakPolarHBondContact O-CB 3.37Å; E187-V190 PolarHBondContact O-N 2.79Å; V190-F193 WeakPolarHBondContact O-CB 3.47Å; V190-F193 PolarHBondContact O-N 2.8Å; V190-Q194 WeakPolarHBondContact O-CG 3.33Å; V190-Q194 PolarHBondContact O-N 2.64Å; V190-V201 HydrophobicContact CG1-CB 4.13Å; V190-V201 HydrophobicContact CG1-CG1 3.67Å; V190-V201 HydrophobicContact CG1-CG2 4.41Å
191R91.7Very high89.1Confident146 Ų14682.8 Ų82.855%0.55139%0.389SS*.Hα-helixtrans-62.7-46.6177.3-70.4-178.8-162-153.65.8111.9E187 F193 Q194 E195E187-R191 WeakPolarHBondContact O-CG 3.23Å; E187-R191 PolarHBondContact O-N 3.33Å; E187-R191 IonicContact OE2-NH2 3.37Å; E187-R191 PolarHBondContact OE2-NH2 2.91Å; R191-F193 PolarHBondContact O-N 3.06Å; R191-Q194 WeakPolarHBondContact O-CB 3.34Å; R191-Q194 PolarHBondContact O-N 3.24Å; R191-Q194 VanDerWaalsContact O-N 3.16Å; R191-E195 WeakPolarHBondContact O-CG 3.19Å; R191-E195 PolarHBondContact O-N 3.46Å
192K93.5Very high89.9Confident125 Ų12577.3 Ų77.354%0.54336%0.363SS..Hα-helixtrans-57.8-40.4174.6-75.4175.8-178.6-176.90111.7R188 D189 E195 T196R188-K192 VanDerWaalsContact O-CG 3.3Å; R188-K192 WeakPolarHBondContact O-CG 3.47Å; R188-K192 PolarHBondContact O-N 2.94Å; R188-K192 VanDerWaalsContact O-N 3.09Å; D189-K192 PolarHBondContact O-N 3.2Å; K192-E195 PolarHBondContact O-N 3.47Å; K192-T196 WeakPolarHBondContact O-CB 3.39Å; K192-T196 PolarHBondContact O-N 3.26Å; K192-T196 PolarHBondContact O-OG1 3.37Å
193F92.8Very high90.5Very high18 Ų1875 Ų758%0.07935%0.352CS..Hα-helixtrans-64-46.3176.1179.1-81000111.8F151 L154 I158 V172 D189 V190 R191 E195 T196 W197 V201F151-F193 HydrophobicContact CE2-CB 4.32Å; F151-F193 HydrophobicContact CE2-CD2 4.47Å; F151-F193 HydrophobicContact CE2-CG 4.3Å; F151-F193 HydrophobicContact CZ-CB 3.75Å; F151-F193 HydrophobicContact CZ-CD2 4.18Å; F151-F193 HydrophobicContact CZ-CG 4.07Å; L154-F193 HydrophobicContact CB-CE2 3.88Å; L154-F193 HydrophobicContact CB-CZ 3.95Å; L154-F193 HydrophobicContact CD1-CE2 4.18Å; L154-F193 HydrophobicContact CD1-CZ 4.05Å; I158-F193 HydrophobicContact CD1-CE1 4.36Å; I158-F193 HydrophobicContact CD1-CE2 4.36Å; I158-F193 HydrophobicContact CD1-CZ 3.51Å; V172-F193 HydrophobicContact CG2-CE1 4.02Å; V172-F193 HydrophobicContact CG2-CZ 4.45Å; D189-F193 WeakPolarHBondContact O-CB 3.34Å; D189-F193 PolarHBondContact O-N 3.47Å; V190-F193 WeakPolarHBondContact O-CB 3.47Å; V190-F193 PolarHBondContact O-N 2.8Å; R191-F193 PolarHBondContact O-N 3.06Å; F193-E195 VanDerWaalsContact C-N 3.31Å; F193-E195 PolarHBondContact O-N 2.64Å; F193-T196 PolarHBondContact O-N 2.77Å; F193-W197 AromaticContact CD2-CD1 3.49Å; F193-W197 VanDerWaalsContact CD2-CD1 3.49Å; F193-W197 AromaticContact CD2-NE1 3.77Å; F193-W197 HydrophobicContact CE1-CB 4.33Å; F193-W197 HydrophobicContact CE1-CG 4.31Å; F193-W197 AromaticContact CE2-CD1 3.35Å; F193-W197 HydrophobicContact CE2-CG 4.15Å; F193-W197 AromaticContact CE2-NE1 3.48Å; F193-W197 AromaticContact CG-CD1 3.91Å; F193-W197 HydrophobicContact CZ-CB 4.48Å; F193-W197 AromaticContact CZ-CD1 3.65Å; F193-W197 HydrophobicContact CZ-CG 4.03Å; F193-W197 PolarHBondContact O-N 2.8Å; F193-V201 HydrophobicContact CD1-CG2 3.99Å; F193-V201 HydrophobicContact CE1-CG2 4.22Å
194Q92Very high90.7Very high68 Ų6872.7 Ų72.732%0.31834%0.337SS..Hα-helixtrans-57-43.2174.8-74.6177.3-44.800112.1V190 R191 R198 V201V190-Q194 WeakPolarHBondContact O-CG 3.33Å; V190-Q194 PolarHBondContact O-N 2.64Å; R191-Q194 WeakPolarHBondContact O-CB 3.34Å; R191-Q194 PolarHBondContact O-N 3.24Å; R191-Q194 VanDerWaalsContact O-N 3.16Å; Q194-R198 WeakPolarHBondContact O-CA 3.32Å; Q194-R198 PolarHBondContact O-N 3.2Å; Q194-V201 HydrophobicContact CG-CB 3.74Å; Q194-V201 HydrophobicContact CG-CG2 3.35Å; Q194-V201 PolarHBondContact NE2-O 3.1Å
195E91.1Very high90.6Very high142 Ų14269.6 Ų69.666%0.66433%0.327SS*.Hα-helixtrans-66.4-41178.6-71.4170.2-177.500112.3R191 K192 F193R191-E195 WeakPolarHBondContact O-CG 3.19Å; R191-E195 PolarHBondContact O-N 3.46Å; K192-E195 PolarHBondContact O-N 3.47Å; F193-E195 VanDerWaalsContact C-N 3.31Å; F193-E195 PolarHBondContact O-N 2.64Å
196T92Very high89.9Confident106 Ų10670.9 Ų70.965%0.6534%0.34SS*.Hα-helixtrans-69.9-50.6-177.5-56.70000111.5K192 F193K192-T196 WeakPolarHBondContact O-CB 3.39Å; K192-T196 PolarHBondContact O-N 3.26Å; K192-T196 PolarHBondContact O-OG1 3.37Å; F193-T196 PolarHBondContact O-N 2.77Å
197W88.9Confident88.8Confident84 Ų8478.1 Ų78.132%0.31837%0.367SS..Hα-helixtrans-90-16-174.6-69.693.8000113.4I158 F193 L199I158-W197 HydrophobicContact CB-CE3 4.38Å; I158-W197 HydrophobicContact CB-CZ3 4.14Å; I158-W197 HydrophobicContact CD1-CD2 4.44Å; I158-W197 HydrophobicContact CG2-CE3 3.62Å; I158-W197 HydrophobicContact CG2-CH2 4.35Å; I158-W197 HydrophobicContact CG2-CZ3 3.51Å; F193-W197 AromaticContact CD2-CD1 3.49Å; F193-W197 VanDerWaalsContact CD2-CD1 3.49Å; F193-W197 AromaticContact CD2-NE1 3.77Å; F193-W197 HydrophobicContact CE1-CB 4.33Å; F193-W197 HydrophobicContact CE1-CG 4.31Å; F193-W197 AromaticContact CE2-CD1 3.35Å; F193-W197 HydrophobicContact CE2-CG 4.15Å; F193-W197 AromaticContact CE2-NE1 3.48Å; F193-W197 AromaticContact CG-CD1 3.91Å; F193-W197 HydrophobicContact CZ-CB 4.48Å; F193-W197 AromaticContact CZ-CD1 3.65Å; F193-W197 HydrophobicContact CZ-CG 4.03Å; F193-W197 PolarHBondContact O-N 2.8Å; W197-L199 HydrophobicContact CB-CB 4.49Å; W197-L199 HydrophobicContact CB-CD1 4.22Å; W197-L199 HydrophobicContact CB-CG 4.07Å; W197-L199 PolarHBondContact O-N 2.92Å
198R90.1Very high87.7Confident198 Ų19877.1 Ų77.175%0.74737%0.368SS*.  trans54.335.5-175-57.7-177175.1-179.31.5113Q194Q194-R198 WeakPolarHBondContact O-CA 3.32Å; Q194-R198 PolarHBondContact O-N 3.2Å
199L90.3Very high86.2Confident31 Ų3171.3 Ų71.316%0.16235%0.354CS..  trans-105.3144.7177.7-64.4-179.2000110.9I158 K170 V172 W197 V201I158-L199 HydrophobicContact CD1-CD1 3.68Å; I158-L199 HydrophobicContact CG1-CD1 4.18Å; I158-L199 HydrophobicContact CG2-CD1 4.19Å; K170-L199 HydrophobicContact CB-CD1 4.17Å; K170-L199 HydrophobicContact CB-CD2 3.81Å; V172-L199 HydrophobicContact CG2-CB 4.41Å; V172-L199 HydrophobicContact CG2-CD1 4.29Å; W197-L199 HydrophobicContact CB-CB 4.49Å; W197-L199 HydrophobicContact CB-CD1 4.22Å; W197-L199 HydrophobicContact CB-CG 4.07Å; W197-L199 PolarHBondContact O-N 2.92Å; L199-V201 PolarHBondContact O-N 3.36Å
200P91.8Very high84.6Confident37 Ų3776 Ų7624%0.2438%0.379CS..  trans-64.8128.4171.127.3-32.4000109.5V171 V172V171-P200 HydrophobicContact CB-CG 4.26Å; V171-P200 HydrophobicContact CG1-CG 4.15Å; V171-P200 HydrophobicContact CG2-CG 3.9Å; V172-P200 PolarHBondContact N-O 3.18Å
201V93.1Very high83.5Confident11 Ų1177.2 Ų77.27%0.06739%0.393CS..EExtended strand (participates in β ladder)trans-114.6122.9170.2-176.70000107.9F143 V172 V190 F193 Q194 L199F143-V201 HydrophobicContact CE1-CG1 4.06Å; V172-V201 HydrophobicContact CB-CB 4.35Å; V172-V201 HydrophobicContact CB-CG1 4.36Å; V172-V201 HydrophobicContact CB-CG2 3.83Å; V172-V201 HydrophobicContact CG1-CG1 4.05Å; V172-V201 HydrophobicContact CG1-CG2 4.01Å; V172-V201 HydrophobicContact CG2-CG2 4.45Å; V172-V201 WeakPolarHBondContact O-CA 3.21Å; V190-V201 HydrophobicContact CG1-CB 4.13Å; V190-V201 HydrophobicContact CG1-CG1 3.67Å; V190-V201 HydrophobicContact CG1-CG2 4.41Å; F193-V201 HydrophobicContact CD1-CG2 3.99Å; F193-V201 HydrophobicContact CE1-CG2 4.22Å; Q194-V201 HydrophobicContact CG-CB 3.74Å; Q194-V201 HydrophobicContact CG-CG2 3.35Å; Q194-V201 PolarHBondContact NE2-O 3.1Å; L199-V201 PolarHBondContact O-N 3.36Å
202L93.1Very high82.9Confident36 Ų3670.9 Ų70.919%0.18837%0.37CS..EExtended strand (participates in β ladder)trans-117.7157.9179.7-59.8171.9000109.4V171 V172 V173 G174 I218 C221V171-L202 HydrophobicContact CG1-CD1 4.14Å; V172-L202 PolarHBondContact O-N 2.91Å; V173-L202 CarbonylContact C-O 3.6Å; V173-L202 VanDerWaalsContact CA-O 3.31Å; V173-L202 WeakPolarHBondContact CA-O 3.19Å; G174-L202 PolarHBondContact N-O 3.13Å; L202-I218 HydrophobicContact CB-CG1 4.18Å; L202-I218 HydrophobicContact CD1-CB 4.21Å; L202-I218 HydrophobicContact CD1-CG1 3.9Å; L202-C221 HydrophobicContact CD1-CB 3.61Å
203H91Very high82.2Confident74 Ų7466.6 Ų66.634%0.34336%0.361SS..EExtended strand (participates in β ladder)trans-113.3145.4-179.5-52.1151.3000110.4F145 G174 F177F145-H203 HydrophobicContact CE2-CB 4.4Å; F145-H203 AromaticContact CE2-CD2 3.68Å; F145-H203 AromaticContact CZ-CD2 3.52Å; F145-H203 AromaticContact CZ-NE2 3.62Å; G174-H203 CarbonylContact O-C 3.6Å; G174-H203 WeakPolarHBondContact O-CA 3.09Å; F177-H203 HydrophobicContact CB-CB 4.19Å; F177-H203 HydrophobicContact CD1-CB 4.18Å; F177-H203 HydrophobicContact CD2-CB 4.21Å; F177-H203 AromaticContact CE2-ND1 3.73Å; F177-H203 HydrophobicContact CG-CB 3.93Å; F177-H203 AromaticContact CZ-ND1 3.85Å
204S88.8Confident81.7Confident12 Ų1267.4 Ų67.48%0.08437%0.367CS..  trans-135.8128.1175.2-175.20000109.1L71 G174 T175 K176 F177L71-S204 WeakPolarHBondContact CD1-OG 3.47Å; G174-S204 PolarHBondContact O-N 3.14Å; T175-S204 CarbonylContact C-O 3.48Å; T175-S204 VanDerWaalsContact C-O 3.32Å; T175-S204 VanDerWaalsContact CA-O 3.22Å; T175-S204 WeakPolarHBondContact CA-O 3.41Å; K176-S204 PolarHBondContact N-O 2.84Å; F177-S204 PolarHBondContact N-O 3.38Å
205G81.9Confident81.5Confident28 Ų2864.3 Ų64.329%0.28935%0.352SS..  trans-178.5168.4-17800000112R74 D178R74-G205 VanDerWaalsContact NH1-C 3.31Å; R74-G205 PolarHBondContact NH1-O 2.84Å; D178-G205 WeakPolarHBondContact OD1-CA 3.24Å
206G74.8Confident81.5Confident27 Ų2757.6 Ų57.628%0.27832%0.321SS..SBendtrans84.6-177.1171.900000113.9R74 D178R74-G206 PolarHBondContact NH1-O 3.38Å; R74-G206 PolarHBondContact NH2-O 2.78Å; D178-G206 VanDerWaalsContact CB-N 3.26Å; D178-G206 PolarHBondContact OD1-N 2.9Å
207E64.3Low81.5Confident188 Ų18855.6 Ų55.688%0.87931%0.31SS*.SBendtrans-62.4144173.8-65.3-168.8153.100110.8S209E207-S209 PolarHBondContact O-N 2.58Å
208V65.1Low81.7Confident79 Ų7951.7 Ų51.748%0.47930%0.295SS..  trans-65.3107.3172.9-1800000106.9I80I80-V208 HydrophobicContact CD1-CG2 3.47Å; I80-V208 VanDerWaalsContact CD1-CG2 3.47Å; I80-V208 HydrophobicContact CG1-CG2 4.38Å
209S60.3Low81.8Confident54 Ų5442.3 Ų42.338%0.37826%0.26SS..  trans-67.9141.6176.263.40000109.9E207 G211E207-S209 PolarHBondContact O-N 2.58Å; S209-G211 PolarHBondContact O-N 3.24Å; S209-G211 VanDerWaalsContact O-N 3.08Å
210D59.2Low82Confident127 Ų12741.9 Ų41.968%0.67926%0.258SS*.SBendtrans-51.1116.9173-86-4000111.1
211G67.8Low82.1Confident30 Ų3041.1 Ų41.131%0.30925%0.253SS..SBendtrans112-128.8173.200000114.6S209S209-G211 PolarHBondContact O-N 3.24Å; S209-G211 VanDerWaalsContact O-N 3.08Å
212L79.5Confident82.1Confident13 Ų1340.6 Ų40.67%0.06825%0.25CS..SBendtrans-127.3-2.1-169.7-65.7179000113.7H16 F25 I29 R34 W97 D214 V215 A216H16-L212 HydrophobicContact CB-CD1 4.28Å; F25-L212 HydrophobicContact CD1-CD1 3.29Å; F25-L212 HydrophobicContact CE1-CD1 3.63Å; F25-L212 HydrophobicContact CG-CD1 4.27Å; I29-L212 HydrophobicContact CD1-CD1 3.81Å; I29-L212 HydrophobicContact CD1-CG 4.05Å; R34-L212 HydrophobicContact CG-CD2 3.96Å; W97-L212 HydrophobicContact CH2-CB 4.19Å; W97-L212 HydrophobicContact CH2-CD1 3.99Å; W97-L212 HydrophobicContact CH2-CG 4.47Å; W97-L212 HydrophobicContact CZ3-CB 4.39Å; W97-L212 HydrophobicContact CZ3-CD1 3.76Å; W97-L212 HydrophobicContact CZ3-CD2 3.88Å; W97-L212 HydrophobicContact CZ3-CG 4.23Å; L212-D214 VanDerWaalsContact C-N 3.33Å; L212-D214 PolarHBondContact O-N 2.86Å; L212-V215 HydrophobicContact CB-CG2 4.49Å; L212-V215 HydrophobicContact CD2-CG2 4.18Å; L212-V215 WeakPolarHBondContact O-CG2 3.3Å; L212-V215 PolarHBondContact O-N 2.8Å; L212-A216 WeakPolarHBondContact O-CA 3.21Å; L212-A216 WeakPolarHBondContact O-CB 3.48Å; L212-A216 PolarHBondContact O-N 3.43Å
213G78.8Confident82.2Confident36 Ų3639 Ų3937%0.37124%0.241SC..THydrogen-bonded Turntrans-66.3-33.4-167.600000113.8P217G213-P217 VanDerWaalsContact O-CD 3.29Å; G213-P217 WeakPolarHBondContact O-CD 3.31Å
214D81.8Confident82.3Confident35 Ų3537.3 Ų37.319%0.18723%0.234CC..THydrogen-bonded Turntrans-75.3-36.9179.365.6-35.9000112.5L212L212-D214 VanDerWaalsContact C-N 3.33Å; L212-D214 PolarHBondContact O-N 2.86Å
215V88.7Confident82.5Confident3 Ų339.2 Ų39.22%0.01824%0.243CC..THydrogen-bonded Turntrans-90.7-25.4-178.8-61.80000113.7R74 L75 L212 P217 I218 L219R74-V215 HydrophobicContact CG-CG1 3.97Å; R74-V215 WeakPolarHBondContact O-CG1 3.47Å; L75-V215 HydrophobicContact CD2-CB 3.98Å; L75-V215 HydrophobicContact CD2-CG1 4.06Å; L212-V215 HydrophobicContact CB-CG2 4.49Å; L212-V215 HydrophobicContact CD2-CG2 4.18Å; L212-V215 WeakPolarHBondContact O-CG2 3.3Å; L212-V215 PolarHBondContact O-N 2.8Å; V215-P217 VanDerWaalsContact C-CD 3.48Å; V215-I218 PolarHBondContact O-N 3Å; V215-I218 VanDerWaalsContact O-N 3.15Å; V215-L219 HydrophobicContact CB-CD1 4.1Å; V215-L219 HydrophobicContact CG2-CD1 3.96Å; V215-L219 WeakPolarHBondContact O-CG 3.48Å; V215-L219 PolarHBondContact O-N 3.01Å
216A90.2Very high83Confident1 Ų137.9 Ų37.91%0.00823%0.229CC..Hα-helixtrans-56.3-41.5-174.900000114H16 W97 L212 I218 L219 N220H16-A216 WeakPolarHBondContact CE1-CB 3.36Å; W97-A216 HydrophobicContact CH2-CB 3.87Å; W97-A216 HydrophobicContact CZ2-CB 3.95Å; L212-A216 WeakPolarHBondContact O-CA 3.21Å; L212-A216 WeakPolarHBondContact O-CB 3.48Å; L212-A216 PolarHBondContact O-N 3.43Å; A216-I218 VanDerWaalsContact C-N 3.3Å; A216-I218 PolarHBondContact O-N 3.17Å; A216-L219 PolarHBondContact O-N 3.48Å; A216-N220 WeakPolarHBondContact O-CB 3.34Å; A216-N220 PolarHBondContact O-N 3.35Å; A216-N220 PolarHBondContact O-ND2 3.06Å
217P91.8Very high83.9Confident64 Ų6438.5 Ų38.542%0.41622%0.223SC..Hα-helixtrans-58.6-41.3177.9-25.835.5000112.7G213 V215 C221G213-P217 VanDerWaalsContact O-CD 3.29Å; G213-P217 WeakPolarHBondContact O-CD 3.31Å; V215-P217 VanDerWaalsContact C-CD 3.48Å; P217-C221 WeakPolarHBondContact O-CB 3.4Å; P217-C221 PolarHBondContact O-N 3.13Å
218I93.1Very high85.2Confident2 Ų233.3 Ų33.31%0.0120%0.199CC..Hα-helixtrans-70.3-47.8179.6-58.2176.7000110.6L71 L75 V173 L202 V215 A216 C221 L222L71-I218 HydrophobicContact CD1-CD1 3.94Å; L75-I218 HydrophobicContact CD1-CG2 4.3Å; L75-I218 HydrophobicContact CD2-CB 4.05Å; L75-I218 HydrophobicContact CD2-CD1 4.35Å; L75-I218 HydrophobicContact CD2-CG2 3.98Å; V173-I218 HydrophobicContact CG1-CD1 3.99Å; V173-I218 HydrophobicContact CG2-CD1 4.47Å; L202-I218 HydrophobicContact CB-CG1 4.18Å; L202-I218 HydrophobicContact CD1-CB 4.21Å; L202-I218 HydrophobicContact CD1-CG1 3.9Å; V215-I218 PolarHBondContact O-N 3Å; V215-I218 VanDerWaalsContact O-N 3.15Å; A216-I218 VanDerWaalsContact C-N 3.3Å; A216-I218 PolarHBondContact O-N 3.17Å; I218-C221 PolarHBondContact O-N 3.01Å; I218-L222 HydrophobicContact CG2-CD1 4.14Å; I218-L222 WeakPolarHBondContact O-CB 3.44Å; I218-L222 WeakPolarHBondContact O-CG 3.5Å; I218-L222 PolarHBondContact O-N 3.37Å
219L93.5Very high86.3Confident0 Ų030.5 Ų30.50%018%0.181CC..Hα-helixtrans-68-39-178.4-63.9175.3000112.5L75 V95 W97 L112 V215 A216 L222 A223L75-L219 HydrophobicContact CD2-CD2 4.12Å; L75-L219 HydrophobicContact CD2-CG 4.15Å; V95-L219 HydrophobicContact CG1-CD1 4.24Å; V95-L219 HydrophobicContact CG1-CD2 3.79Å; W97-L219 HydrophobicContact CD2-CB 3.73Å; W97-L219 HydrophobicContact CD2-CD1 3.75Å; W97-L219 HydrophobicContact CD2-CG 4.37Å; W97-L219 HydrophobicContact CE3-CB 4.3Å; W97-L219 HydrophobicContact CE3-CD1 3.44Å; W97-L219 VanDerWaalsContact CE3-CD1 3.44Å; W97-L219 HydrophobicContact CG-CB 3.9Å; W97-L219 HydrophobicContact CG-CD1 4.34Å; W97-L219 HydrophobicContact CH2-CD1 4.22Å; W97-L219 HydrophobicContact CZ2-CB 4.15Å; W97-L219 HydrophobicContact CZ3-CD1 3.67Å; L112-L219 HydrophobicContact CD1-CD2 3.73Å; V215-L219 HydrophobicContact CB-CD1 4.1Å; V215-L219 HydrophobicContact CG2-CD1 3.96Å; V215-L219 WeakPolarHBondContact O-CG 3.48Å; V215-L219 PolarHBondContact O-N 3.01Å; A216-L219 PolarHBondContact O-N 3.48Å; L219-L222 PolarHBondContact O-N 3.1Å; L219-A223 VanDerWaalsContact O-CB 3.29Å; L219-A223 WeakPolarHBondContact O-CB 3.44Å; L219-A223 PolarHBondContact O-N 3.38Å
220N93Very high87.7Confident22 Ų2229.9 Ų29.912%0.11817%0.173CC..Hα-helixtrans-65.7-43.1174.5-70.4-20.2000111.3I11 D14 W97 A216 A223 E224I11-N220 HydrophobicContact CD1-CB 4.5Å; D14-N220 PolarHBondContact OD1-ND2 3.2Å; W97-N220 WeakPolarHBondContact CZ2-OD1 3.42Å; W97-N220 PolarHBondContact NE1-OD1 2.72Å; A216-N220 WeakPolarHBondContact O-CB 3.34Å; A216-N220 PolarHBondContact O-N 3.35Å; A216-N220 PolarHBondContact O-ND2 3.06Å; N220-A223 PolarHBondContact O-N 3.49Å; N220-E224 VanDerWaalsContact O-CB 3.3Å; N220-E224 WeakPolarHBondContact O-CB 3.31Å; N220-E224 PolarHBondContact O-N 3.44Å
221C93.6Very high89.1Confident22 Ų2225.9 Ų25.915%0.14915%0.154CC..Hα-helixtrans-62.9-43177.1-177.30000111.6L202 P217 I218 N225L202-C221 HydrophobicContact CD1-CB 3.61Å; P217-C221 WeakPolarHBondContact O-CB 3.4Å; P217-C221 PolarHBondContact O-N 3.13Å; I218-C221 PolarHBondContact O-N 3.01Å; C221-N225 PolarHBondContact O-N 3.01Å; C221-N225 PolarHBondContact O-ND2 3.39Å; C221-N225 PolarHBondContact SG-ND2 3.04Å; C221-N225 VanDerWaalsContact SG-ND2 3.44Å
222L94.3Very high89.9Confident0 Ų028.2 Ų28.20%016%0.162CC..Hα-helixtrans-61.2-50.9174.4-79.4169.3000111.2I58 L112 A138 L140 V171 I218 L219 E224 N225 L226I58-L222 HydrophobicContact CD1-CD1 3.8Å; I58-L222 HydrophobicContact CD1-CD2 4.04Å; I58-L222 HydrophobicContact CD1-CG 4.42Å; L112-L222 HydrophobicContact CD1-CD1 4.3Å; A138-L222 HydrophobicContact CB-CD2 4.27Å; L140-L222 HydrophobicContact CD1-CD1 4.34Å; L140-L222 HydrophobicContact CD2-CD1 4.19Å; L140-L222 HydrophobicContact CD2-CD2 3.78Å; L140-L222 HydrophobicContact CD2-CG 4.26Å; V171-L222 HydrophobicContact CG2-CD2 4.02Å; I218-L222 HydrophobicContact CG2-CD1 4.14Å; I218-L222 WeakPolarHBondContact O-CB 3.44Å; I218-L222 WeakPolarHBondContact O-CG 3.5Å; I218-L222 PolarHBondContact O-N 3.37Å; L219-L222 PolarHBondContact O-N 3.1Å; L222-E224 VanDerWaalsContact C-N 3.34Å; L222-E224 PolarHBondContact O-N 3.47Å; L222-N225 PolarHBondContact O-N 3.23Å; L222-L226 HydrophobicContact CB-CD1 4.39Å; L222-L226 VanDerWaalsContact O-CB 3.27Å; L222-L226 WeakPolarHBondContact O-CB 3.5Å; L222-L226 WeakPolarHBondContact O-CD1 3.25Å; L222-L226 WeakPolarHBondContact O-CG 3.5Å; L222-L226 PolarHBondContact O-N 3.06Å
223A93.9Very high90.2Very high1 Ų131.5 Ų31.51%0.00817%0.174CC..Hα-helixtrans-58.6-44.3-178.800000112.6I11 V99 F110 L219 N220 W227I11-A223 HydrophobicContact CD1-CB 3.91Å; V99-A223 HydrophobicContact CG2-CB 3.72Å; F110-A223 HydrophobicContact CD2-CB 3.91Å; F110-A223 HydrophobicContact CE2-CB 3.92Å; L219-A223 VanDerWaalsContact O-CB 3.29Å; L219-A223 WeakPolarHBondContact O-CB 3.44Å; L219-A223 PolarHBondContact O-N 3.38Å; N220-A223 PolarHBondContact O-N 3.49Å; A223-W227 VanDerWaalsContact O-CB 3.23Å; A223-W227 WeakPolarHBondContact O-CB 3.46Å; A223-W227 PolarHBondContact O-N 3.28Å
224E93.6Very high90.4Very high39 Ų3933 Ų3318%0.18218%0.183CC..Hα-helixtrans-61.6-47.6179179.565.1-164.700111.6A9 Y10 I11 N220 L222 H228A9-E224 WeakPolarHBondContact CA-OE1 3.35Å; Y10-E224 WeakPolarHBondContact CD2-OE1 3.43Å; Y10-E224 PolarHBondContact N-OE1 3.2Å; Y10-E224 PolarHBondContact N-OE2 3.49Å; Y10-E224 VanDerWaalsContact N-OE2 3.12Å; I11-E224 HydrophobicContact CD1-CB 4.07Å; I11-E224 HydrophobicContact CG1-CB 4.46Å; I11-E224 VanDerWaalsContact CG1-OE2 3.28Å; I11-E224 WeakPolarHBondContact CG1-OE2 3.46Å; I11-E224 PolarHBondContact N-OE2 3.44Å; N220-E224 VanDerWaalsContact O-CB 3.3Å; N220-E224 WeakPolarHBondContact O-CB 3.31Å; N220-E224 PolarHBondContact O-N 3.44Å; L222-E224 VanDerWaalsContact C-N 3.34Å; L222-E224 PolarHBondContact O-N 3.47Å; E224-H228 VanDerWaalsContact O-CB 3.3Å; E224-H228 WeakPolarHBondContact O-CB 3.41Å; E224-H228 PolarHBondContact O-N 3.16Å
225N92.9Very high90.1Very high52 Ų5233.3 Ų33.328%0.27819%0.194SC..Hα-helixtrans-72-38.3-178.6-72.3-67.7000112.7V169 C221 L222 Q229V169-N225 HydrophobicContact CB-CB 4.47Å; V169-N225 HydrophobicContact CG1-CB 3.55Å; V169-N225 HydrophobicContact CG2-CB 4.03Å; V169-N225 WeakPolarHBondContact CG2-O 3.47Å; C221-N225 PolarHBondContact O-N 3.01Å; C221-N225 PolarHBondContact O-ND2 3.39Å; C221-N225 PolarHBondContact SG-ND2 3.04Å; C221-N225 VanDerWaalsContact SG-ND2 3.44Å; L222-N225 PolarHBondContact O-N 3.23Å; N225-Q229 WeakPolarHBondContact O-CB 3.4Å; N225-Q229 PolarHBondContact O-N 3.43Å
226L93.5Very high89Confident0 Ų035.6 Ų35.60%021%0.214CC..Hα-helixtrans-63.9-47.7176.2-74.9167.9000110.8Y56 I58 F110 L112 D137 A138 V169 L222 H228 Q229 D230Y56-L226 HydrophobicContact CD1-CB 4.23Å; Y56-L226 HydrophobicContact CD1-CD1 4.09Å; Y56-L226 HydrophobicContact CD1-CD2 3.68Å; Y56-L226 HydrophobicContact CD1-CG 4.22Å; Y56-L226 HydrophobicContact CD2-CD1 4.03Å; Y56-L226 HydrophobicContact CE1-CB 3.95Å; Y56-L226 HydrophobicContact CE1-CD2 4.13Å; Y56-L226 HydrophobicContact CE1-CG 4.44Å; Y56-L226 HydrophobicContact CE2-CB 4.49Å; Y56-L226 HydrophobicContact CG-CD1 3.77Å; Y56-L226 HydrophobicContact CG-CD2 4.16Å; Y56-L226 HydrophobicContact CG-CG 4.4Å; I58-L226 HydrophobicContact CD1-CD1 4.43Å; F110-L226 HydrophobicContact CE2-CB 4.29Å; L112-L226 HydrophobicContact CD2-CD1 3.93Å; D137-L226 HydrophobicContact CB-CD2 3.8Å; A138-L226 HydrophobicContact CB-CD2 4Å; V169-L226 HydrophobicContact CB-CD2 4.29Å; V169-L226 HydrophobicContact CG2-CD2 4.07Å; V169-L226 HydrophobicContact CG2-CG 4.44Å; L222-L226 HydrophobicContact CB-CD1 4.39Å; L222-L226 VanDerWaalsContact O-CB 3.27Å; L222-L226 WeakPolarHBondContact O-CB 3.5Å; L222-L226 WeakPolarHBondContact O-CD1 3.25Å; L222-L226 WeakPolarHBondContact O-CG 3.5Å; L222-L226 PolarHBondContact O-N 3.06Å; L226-H228 PolarHBondContact O-N 3.28Å; L226-Q229 WeakPolarHBondContact O-CB 3.36Å; L226-Q229 PolarHBondContact O-N 3.4Å; L226-Q229 VanDerWaalsContact O-N 3.17Å; L226-D230 PolarHBondContact O-N 2.86Å
227W92.9Very high87.6Confident41 Ų4139 Ų3916%0.15524%0.235CC..Hα-helixtrans-65.4-41.1178.7-175.1-98.4000112.7Y10 L54 L101 L108 F110 A223 Q229 D230 C231Y10-W227 VanDerWaalsContact CB-CD1 3.44Å; Y10-W227 AromaticContact CD1-CD1 3.93Å; Y10-W227 AromaticContact CG-CD1 3.88Å; L54-W227 HydrophobicContact CD1-CE3 3.87Å; L54-W227 HydrophobicContact CD1-CZ3 3.55Å; L101-W227 HydrophobicContact CD1-CH2 3.95Å; L101-W227 HydrophobicContact CD1-CZ2 3.41Å; L101-W227 VanDerWaalsContact CD1-CZ2 3.41Å; L101-W227 HydrophobicContact CD2-CD2 3.82Å; L101-W227 VanDerWaalsContact CD2-CE2 3.49Å; L101-W227 HydrophobicContact CD2-CG 4.08Å; L101-W227 HydrophobicContact CD2-CZ2 3.95Å; L101-W227 HydrophobicContact CG-CZ2 4.34Å; L108-W227 HydrophobicContact CD1-CE3 3.92Å; L108-W227 HydrophobicContact CD1-CH2 3.83Å; L108-W227 HydrophobicContact CD1-CZ2 4.46Å; L108-W227 HydrophobicContact CD1-CZ3 3.55Å; F110-W227 HydrophobicContact CE2-CB 4.43Å; F110-W227 HydrophobicContact CZ-CB 4.06Å; F110-W227 HydrophobicContact CZ-CE3 4.12Å; A223-W227 VanDerWaalsContact O-CB 3.23Å; A223-W227 WeakPolarHBondContact O-CB 3.46Å; A223-W227 PolarHBondContact O-N 3.28Å; W227-Q229 VanDerWaalsContact C-N 3.27Å; W227-Q229 PolarHBondContact O-N 2.8Å; W227-D230 PolarHBondContact O-N 3.05Å; W227-C231 PolarHBondContact NE1-SG 3.29Å; W227-C231 PolarHBondContact O-N 2.94Å; W227-C231 PolarHBondContact O-SG 2.96Å
228H91.1Very high85.8Confident78 Ų7837.6 Ų37.636%0.36123%0.232SC..Hα-helixtrans-56.6-44.9172.8170-110.3000111.1Y10 E224 L226 C231 V232Y10-H228 HydrophobicContact CD2-CB 3.96Å; Y10-H228 HydrophobicContact CE2-CB 3.86Å; Y10-H228 AromaticContact CE2-CD2 3.32Å; Y10-H228 WeakPolarHBondContact CE2-CD2 3Å; Y10-H228 AromaticContact CE2-CG 3.9Å; Y10-H228 AromaticContact CZ-CD2 3.56Å; Y10-H228 PolarHBondContact OH-CD2 2.85Å; E224-H228 VanDerWaalsContact O-CB 3.3Å; E224-H228 WeakPolarHBondContact O-CB 3.41Å; E224-H228 PolarHBondContact O-N 3.16Å; L226-H228 PolarHBondContact O-N 3.28Å; H228-C231 WeakPolarHBondContact O-CB 3.36Å; H228-C231 PolarHBondContact O-N 2.88Å; H228-V232 WeakPolarHBondContact O-CG2 3.46Å; H228-V232 PolarHBondContact O-N 2.87Å
229Q89.6Confident83.8Confident21 Ų2146.9 Ų46.910%0.09827%0.267CS..Hα-helixtrans-62.9-42.4178173.7165.384.900112.5D137 C167 V169 N225 L226 W227 C231 V232 R233D137-Q229 PolarHBondContact O-OE1 2.92Å; C167-Q229 VanDerWaalsContact O-CD 3.3Å; C167-Q229 PolarHBondContact O-NE2 3.07Å; C167-Q229 PolarHBondContact O-OE1 3.35Å; V169-Q229 HydrophobicContact CG2-CB 4.09Å; N225-Q229 WeakPolarHBondContact O-CB 3.4Å; N225-Q229 PolarHBondContact O-N 3.43Å; L226-Q229 WeakPolarHBondContact O-CB 3.36Å; L226-Q229 PolarHBondContact O-N 3.4Å; L226-Q229 VanDerWaalsContact O-N 3.17Å; W227-Q229 VanDerWaalsContact C-N 3.27Å; W227-Q229 PolarHBondContact O-N 2.8Å; Q229-C231 VanDerWaalsContact C-N 3.31Å; Q229-C231 PolarHBondContact O-N 2.86Å; Q229-V232 PolarHBondContact O-N 2.55Å; Q229-R233 HydrophobicContact CG-CG 4.38Å; Q229-R233 WeakPolarHBondContact O-CB 3.21Å; Q229-R233 WeakPolarHBondContact O-CG 3.31Å; Q229-R233 PolarHBondContact O-N 2.91Å
230D89.8Confident81.6Confident41 Ų4153.3 Ų53.322%0.21930%0.297CS..Hα-helixtrans-63.8-38.9176.2-72.7-13.1000111.9Y56 L226 W227 V232 R233 A234Y56-D230 VanDerWaalsContact CE1-OD2 3.25Å; Y56-D230 WeakPolarHBondContact CE1-OD2 2.98Å; Y56-D230 VanDerWaalsContact CZ-OD2 3.29Å; Y56-D230 PolarHBondContact OH-OD2 3.22Å; L226-D230 PolarHBondContact O-N 2.86Å; W227-D230 PolarHBondContact O-N 3.05Å; D230-V232 VanDerWaalsContact C-N 3.35Å; D230-V232 PolarHBondContact O-N 2.98Å; D230-R233 PolarHBondContact O-N 3.07Å; D230-A234 WeakPolarHBondContact O-CB 3.45Å; D230-A234 PolarHBondContact O-N 3.47Å
231C87.1Confident79.5Confident42 Ų4258.2 Ų58.228%0.28432%0.319SS..Hα-helixtrans-62-42.2173.9-69.40000111.7Y10 W227 H228 Q229 G235Y10-C231 HydrophobicContact CE1-CB 4.41Å; W227-C231 PolarHBondContact NE1-SG 3.29Å; W227-C231 PolarHBondContact O-N 2.94Å; W227-C231 PolarHBondContact O-SG 2.96Å; H228-C231 WeakPolarHBondContact O-CB 3.36Å; H228-C231 PolarHBondContact O-N 2.88Å; Q229-C231 VanDerWaalsContact C-N 3.31Å; Q229-C231 PolarHBondContact O-N 2.86Å; C231-G235 PolarHBondContact O-N 2.73Å
232V86.4Confident77.2Confident79 Ų7964.4 Ų64.448%0.47935%0.346SS..Hα-helixtrans-66-43.9176173.80000111H228 Q229 D230 G235 A236H228-V232 WeakPolarHBondContact O-CG2 3.46Å; H228-V232 PolarHBondContact O-N 2.87Å; Q229-V232 PolarHBondContact O-N 2.55Å; D230-V232 VanDerWaalsContact C-N 3.35Å; D230-V232 PolarHBondContact O-N 2.98Å; V232-G235 PolarHBondContact O-N 3.19Å; V232-A236 WeakPolarHBondContact O-CB 3.49Å; V232-A236 PolarHBondContact O-N 3.02Å
233R83.9Confident74.9Confident82 Ų8271.8 Ų71.831%0.30938%0.38SS..Hα-helixtrans-59.8-51.7176.7-74.7174.2174.9179.9-0.5110.6D137 C167 Q229 D230 G235 A236 T237D137-R233 IonicContact OD1-NH1 3.53Å; D137-R233 PolarHBondContact OD1-NH1 2.92Å; C167-R233 PolarHBondContact O-NH2 3.18Å; Q229-R233 HydrophobicContact CG-CG 4.38Å; Q229-R233 WeakPolarHBondContact O-CB 3.21Å; Q229-R233 WeakPolarHBondContact O-CG 3.31Å; Q229-R233 PolarHBondContact O-N 2.91Å; D230-R233 PolarHBondContact O-N 3.07Å; R233-G235 VanDerWaalsContact C-N 3.32Å; R233-G235 PolarHBondContact O-N 3.19Å; R233-A236 PolarHBondContact O-N 2.84Å; R233-A236 VanDerWaalsContact O-N 3.14Å; R233-T237 PolarHBondContact O-N 3.19Å; R233-T237 PolarHBondContact O-OG1 3.38Å
234A83.5Confident72.6Confident67 Ų6779.2 Ų79.255%0.55442%0.415SS*.Hα-helixtrans-60.5-39.7178.400000112.8D230 T237 G238D230-A234 WeakPolarHBondContact O-CB 3.45Å; D230-A234 PolarHBondContact O-N 3.47Å; A234-T237 PolarHBondContact O-N 3.12Å; A234-G238 PolarHBondContact O-N 3.11Å; A234-G238 VanDerWaalsContact O-N 3.1Å
235G76.3Confident70.5Confident42 Ų4282.8 Ų82.843%0.43344%0.439SS..Hα-helixtrans-67-32.5175.700000113.9C231 V232 R233 R239C231-G235 PolarHBondContact O-N 2.73Å; V232-G235 PolarHBondContact O-N 3.19Å; R233-G235 VanDerWaalsContact C-N 3.32Å; R233-G235 PolarHBondContact O-N 3.19Å; G235-R239 PolarHBondContact O-N 3.31Å
236A64.8Low68.2Low52 Ų5283.5 Ų83.543%0.4346%0.458SS..Hα-helixtrans-70.8-43.1174.700000111.7V232 R233 G238 R239 Q240V232-A236 WeakPolarHBondContact O-CB 3.49Å; V232-A236 PolarHBondContact O-N 3.02Å; R233-A236 PolarHBondContact O-N 2.84Å; R233-A236 VanDerWaalsContact O-N 3.14Å; A236-G238 PolarHBondContact O-N 3.31Å; A236-R239 PolarHBondContact O-N 3.38Å; A236-Q240 PolarHBondContact O-N 3.47Å
237T61.7Low66.1Low72 Ų7288.7 Ų88.744%0.44249%0.49SS..Hα-helixtrans-64.3-39.2178.4-360000112R233 A234 R239 Q240 Q241R233-T237 PolarHBondContact O-N 3.19Å; R233-T237 PolarHBondContact O-OG1 3.38Å; A234-T237 PolarHBondContact O-N 3.12Å; T237-R239 VanDerWaalsContact C-N 3.32Å; T237-R239 PolarHBondContact O-N 3.37Å; T237-Q240 PolarHBondContact O-N 3.39Å; T237-Q241 PolarHBondContact O-N 2.66Å
238G53.8Low63.4Low35 Ų3594.1 Ų94.136%0.36152%0.521SS..Hα-helixtrans-65.5-30176.700000114.1A234 A236A234-G238 PolarHBondContact O-N 3.11Å; A234-G238 VanDerWaalsContact O-N 3.1Å; A236-G238 PolarHBondContact O-N 3.31Å
239R50.1Low61.6Low197 Ų19799.9 Ų99.974%0.74357%0.566SS**Hα-helixtrans-76.5-32.6174.7-75.5-180179.1178.30.8113G235 A236 T237 H243G235-R239 PolarHBondContact O-N 3.31Å; A236-R239 PolarHBondContact O-N 3.38Å; T237-R239 VanDerWaalsContact C-N 3.32Å; T237-R239 PolarHBondContact O-N 3.37Å; R239-H243 PolarHBondContact O-N 3.48Å
240Q48.7Very low60.2Low134 Ų134103.9 Ų103.963%0.62659%0.589SS**Hα-helixtrans-68.2-41.8176.3-77.2175.9-31.800111.8A236 T237 Q242 H243 E244A236-Q240 PolarHBondContact O-N 3.47Å; T237-Q240 PolarHBondContact O-N 3.39Å; Q240-Q242 VanDerWaalsContact C-N 3.34Å; Q240-Q242 PolarHBondContact O-N 3.4Å; Q240-H243 PolarHBondContact O-N 3.22Å; Q240-H243 VanDerWaalsContact O-N 3.17Å; Q240-E244 PolarHBondContact O-N 2.99Å
241Q46.9Very low58.6Low126 Ų126107.2 Ų107.259%0.58961%0.609SS**Hα-helixtrans-66.7-30.9178.2-71.4178.5000113.7T237 H243 T245T237-Q241 PolarHBondContact O-N 2.66Å; Q241-H243 VanDerWaalsContact C-N 3.33Å; Q241-T245 PolarHBondContact O-N 3.18Å; Q241-T245 PolarHBondContact O-OG1 3.02Å
242Q46.2Very low57.1Low152 Ų152110.8 Ų110.871%0.7163%0.627SS**Hα-helixtrans-71.6-26.3174.3-76.8-178.3-400113Q240 T245Q240-Q242 VanDerWaalsContact C-N 3.34Å; Q240-Q242 PolarHBondContact O-N 3.4Å; Q242-T245 PolarHBondContact O-OG1 2.96Å
243H46.2Very low55.3Low155 Ų155112.6 Ų112.672%0.71864%0.636SS**Hα-helixtrans-80.5-31.7178.7-125.3-42.9000112.7R239 Q240 Q241 T247R239-H243 PolarHBondContact O-N 3.48Å; Q240-H243 PolarHBondContact O-N 3.22Å; Q240-H243 VanDerWaalsContact O-N 3.17Å; Q241-H243 VanDerWaalsContact C-N 3.33Å; H243-T247 PolarHBondContact O-OG1 2.96Å
244E46.7Very low53.5Low157 Ų157114.6 Ų114.673%0.73466%0.656SS**Hα-helixtrans-76.6-27.7176-73.3-177.8155.200113.1Q240 G246Q240-E244 PolarHBondContact O-N 2.99Å; E244-G246 VanDerWaalsContact C-N 3.35Å
245T48.3Very low51.5Low114 Ų114117.7 Ų117.770%0.69966%0.663SS**THydrogen-bonded Turntrans-82-10.8176.541.70000114Q241 Q242Q241-T245 PolarHBondContact O-N 3.18Å; Q241-T245 PolarHBondContact O-OG1 3.02Å; Q242-T245 PolarHBondContact O-OG1 2.96Å
246G45.1Very low49.8Very low66 Ų66123.1 Ų123.168%0.6868%0.679SS**THydrogen-bonded Turntrans-90.33.3175.900000115.2E244E244-G246 VanDerWaalsContact C-N 3.35Å
247T48.2Very low48.6Very low110 Ų110128.6 Ų128.668%0.67570%0.699SS**  trans-128.766.6-175.6-31.20000111.3H243H243-T247 PolarHBondContact O-OG1 2.96Å
248L36.9Very low47.5Very low154 Ų154133.3 Ų133.381%0.80672%0.72SS**  trans-129.3126.1160.2-87.2148.2000107.7
249P53.3Low47Very low200 Ų200142.3 Ų142.3100%1.29975%0.753SS**  trans-69.90-173.829.3-34.7000114

Retrieved 249 of 249 residues in 235.3 ms (Link to these results)

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