G4VR74_SCHMA Loading...

Putative dual-specificity phosphatase AlphaSync

AlphaFold DB , UniProt , Accession G4VR74, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 149 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
1M76.9Confident95.5Very high234 Ų23468.9 Ų68.9100%1.15336%0.358SS*.  0134.60-63.1-179.9-159.300107.9
2S92.3Very high95.7Very high45 Ų4565 Ų6532%0.31534%0.341SS..  trans-79.2156.5174.851.10000110.7C25 N33S2-C25 WeakPolarHBondContact CA-O 3.36Å; S2-C25 WeakPolarHBondContact CB-O 3.41Å; S2-N33 PolarHBondContact OG-OD1 2.73Å
3R97.2Very high95.8Very high112 Ų11275.2 Ų75.242%0.42338%0.381SS..  trans-144150.5175.167.1179.8179.8755.6110.2C25 E26 Y29R3-C25 PolarHBondContact N-O 2.8Å; R3-E26 HydrophobicContact CG-CG 4.26Å; R3-E26 IonicContact CZ-OE1 3.5Å; R3-E26 IonicContact NH1-OE1 2.74Å; R3-E26 PolarHBondContact NH1-OE1 2.93Å; R3-E26 IonicContact NH2-OE1 3.9Å; R3-E26 PolarHBondContact NH2-OE1 3.36Å; R3-E26 VanDerWaalsContact O-CA 3.3Å; R3-E26 WeakPolarHBondContact O-CA 3.27Å; R3-Y29 VanDerWaalsContact C-CB 3.44Å; R3-Y29 VanDerWaalsContact C-CG 3.48Å; R3-Y29 WeakPolarHBondContact O-CB 3.28Å
4P97.7Very high96Very high57 Ų5771 Ų7137%0.3736%0.362SS..PPolyproline II helixtrans-61.9146.8177.223.9-32.1000111.5F8 Y29P4-F8 HydrophobicContact CB-CB 3.9Å; P4-F8 HydrophobicContact CB-CD1 4.28Å; P4-F8 HydrophobicContact CB-CG 4.17Å; P4-Y29 VanDerWaalsContact CA-CD1 3.47Å; P4-Y29 HydrophobicContact CB-CD1 3.87Å; P4-Y29 HydrophobicContact CB-CE1 3.62Å; P4-Y29 HydrophobicContact CB-CE2 4.32Å; P4-Y29 HydrophobicContact CB-CG 4.32Å; P4-Y29 HydrophobicContact CG-CE1 4.49Å; P4-Y29 HydrophobicContact CG-CE2 4.4Å
5P98Very high96.1Very high3 Ų366.3 Ų66.32%0.01934%0.338CS..PPolyproline II helixtrans-59.2158.7163.9-10.320.7000110.5F8 F18 P21 E26 L30P5-F8 VanDerWaalsContact O-CB 3.29Å; P5-F8 WeakPolarHBondContact O-CB 3.35Å; P5-F8 PolarHBondContact O-N 2.8Å; P5-F18 HydrophobicContact CB-CB 4.18Å; P5-F18 HydrophobicContact CB-CD2 4.07Å; P5-F18 HydrophobicContact CB-CG 4.42Å; P5-F18 HydrophobicContact CG-CB 4.38Å; P5-F18 HydrophobicContact CG-CD2 3.89Å; P5-F18 HydrophobicContact CG-CE2 4.49Å; P5-F18 HydrophobicContact CG-CG 4.23Å; P5-P21 HydrophobicContact CB-CB 4.31Å; P5-P21 HydrophobicContact CG-CB 4.24Å; P5-E26 HydrophobicContact CB-CB 4.28Å; P5-E26 HydrophobicContact CG-CB 4.05Å; P5-L30 HydrophobicContact CG-CD1 3.99Å; P5-L30 HydrophobicContact CG-CD2 3.83Å; P5-L30 HydrophobicContact CG-CG 3.96Å
6S97.8Very high96.3Very high75 Ų7562.1 Ų62.152%0.52432%0.317SS..THydrogen-bonded Turntrans-55.1144176.5-71.60000111.6F8 A19S6-F8 PolarHBondContact O-N 3.04Å; S6-F8 VanDerWaalsContact O-N 3.12Å; S6-A19 WeakPolarHBondContact O-CB 3.41Å; S6-A19 PolarHBondContact O-N 3.18Å
7N97.4Very high96.4Very high64 Ų6458.5 Ų58.534%0.34230%0.298SS..THydrogen-bonded Turntrans56.825.5178.3-161.325.8000114.6S9 A19 L96 G97 R128N7-S9 PolarHBondContact O-N 3.33Å; N7-A19 HydrophobicContact CB-CB 4.39Å; N7-L96 PolarHBondContact ND2-O 3.02Å; N7-G97 PolarHBondContact ND2-O 3.48Å; N7-R128 PolarHBondContact ND2-NH2 2.89Å; N7-R128 PolarHBondContact O-NH1 3.27Å; N7-R128 PolarHBondContact O-NH2 3.25Å
8F98.3Very high96.6Very high35 Ų3555.2 Ų55.215%0.15428%0.282CS..  trans-68.2126.5172.8178.6-87.5000111.5P4 P5 S6 W10 A16 G17 F18 Y29 L30 A34 I36P4-F8 HydrophobicContact CB-CB 3.9Å; P4-F8 HydrophobicContact CB-CD1 4.28Å; P4-F8 HydrophobicContact CB-CG 4.17Å; P5-F8 VanDerWaalsContact O-CB 3.29Å; P5-F8 WeakPolarHBondContact O-CB 3.35Å; P5-F8 PolarHBondContact O-N 2.8Å; S6-F8 PolarHBondContact O-N 3.04Å; S6-F8 VanDerWaalsContact O-N 3.12Å; F8-W10 AromaticContact CE1-NE1 3.84Å; F8-W10 AromaticContact CZ-CE2 3.88Å; F8-W10 HydrophobicContact CZ-CZ2 4.01Å; F8-W10 AromaticContact CZ-NE1 3.87Å; F8-A16 HydrophobicContact CE2-CB 3.8Å; F8-A16 HydrophobicContact CZ-CB 4.01Å; F8-G17 CarbonylContact C-O 3.58Å; F8-G17 VanDerWaalsContact CA-O 3.27Å; F8-G17 WeakPolarHBondContact CA-O 3.47Å; F8-F18 HydrophobicContact CB-CB 4.04Å; F8-F18 HydrophobicContact CD2-CB 4.12Å; F8-F18 AromaticContact CD2-CD1 3.81Å; F8-F18 HydrophobicContact CD2-CD1 3.81Å; F8-F18 HydrophobicContact CD2-CG 4.23Å; F8-F18 HydrophobicContact CE2-CD1 4.27Å; F8-Y29 HydrophobicContact CD1-CE1 4.2Å; F8-Y29 HydrophobicContact CE1-CE1 4.03Å; F8-Y29 HydrophobicContact CZ-CE1 4.2Å; F8-L30 HydrophobicContact CD2-CD2 3.67Å; F8-L30 HydrophobicContact CE2-CD2 3.55Å; F8-A34 HydrophobicContact CE2-CB 4.29Å; F8-A34 HydrophobicContact CZ-CB 3.86Å; F8-I36 HydrophobicContact CE2-CD1 3.9Å
9S98.3Very high96.6Very high34 Ų3452.7 Ų52.724%0.23827%0.27CS..EExtended strand (participates in β ladder)trans-158.7154.2164.378.70000111.9N7 A16 G17 R128N7-S9 PolarHBondContact O-N 3.33Å; S9-A16 VanDerWaalsContact O-CA 3.31Å; S9-A16 WeakPolarHBondContact O-CA 3.37Å; S9-A16 WeakPolarHBondContact O-CB 3.36Å; S9-G17 PolarHBondContact N-O 3.06Å; S9-G17 PolarHBondContact O-N 2.71Å; S9-R128 VanDerWaalsContact N-NH1 3.17Å; S9-R128 VanDerWaalsContact OG-CG 3.32Å; S9-R128 WeakPolarHBondContact OG-CG 3.46Å; S9-R128 PolarHBondContact OG-NH1 3.41Å
10W98.4Very high96.7Very high86 Ų8650.6 Ų50.633%0.32626%0.259SS..EExtended strand (participates in β ladder)trans-77.7135.8173.7-66.9104.1000110.9F8 A16 A34 I36 K89F8-W10 AromaticContact CE1-NE1 3.84Å; F8-W10 AromaticContact CZ-CE2 3.88Å; F8-W10 HydrophobicContact CZ-CZ2 4.01Å; F8-W10 AromaticContact CZ-NE1 3.87Å; W10-A16 HydrophobicContact CD2-CB 4Å; W10-A16 HydrophobicContact CE3-CB 3.65Å; W10-A16 HydrophobicContact CH2-CB 4.33Å; W10-A16 HydrophobicContact CZ3-CB 3.81Å; W10-A34 HydrophobicContact CH2-CB 4.39Å; W10-A34 HydrophobicContact CZ2-CB 3.83Å; W10-A34 WeakPolarHBondContact CZ2-O 3.27Å; W10-I36 HydrophobicContact CH2-CD1 4.36Å; W10-I36 HydrophobicContact CH2-CG1 3.98Å; W10-K89 HydrophobicContact CH2-CB 4.33Å; W10-K89 HydrophobicContact CH2-CD 3.51Å; W10-K89 HydrophobicContact CH2-CG 4.49Å; W10-K89 HydrophobicContact CZ2-CD 4.33Å; W10-K89 HydrophobicContact CZ3-CB 4.46Å; W10-K89 HydrophobicContact CZ3-CD 4.01Å
11V98.3Very high96.8Very high13 Ų1348.2 Ų48.28%0.07925%0.247CC..SBendtrans-101.7-15.1166-59.20000111.9V15 L105 Y108 L109 L124 L127 R128V11-V15 HydrophobicContact CG2-CB 4.03Å; V11-V15 HydrophobicContact CG2-CG1 3.9Å; V11-V15 WeakPolarHBondContact CG2-O 3.29Å; V11-V15 PolarHBondContact N-O 3.15Å; V11-L105 HydrophobicContact CG1-CD1 4.34Å; V11-L105 HydrophobicContact CG1-CD2 4.42Å; V11-L105 HydrophobicContact CG2-CD2 3.81Å; V11-Y108 HydrophobicContact CG2-CD1 4.08Å; V11-Y108 HydrophobicContact CG2-CE1 4.06Å; V11-L109 HydrophobicContact CB-CD2 4.48Å; V11-L124 HydrophobicContact CG1-CD1 3.85Å; V11-L127 HydrophobicContact CB-CD1 4.29Å; V11-R128 HydrophobicContact CG1-CG 4.24Å
12S97.7Very high97.7Very high22 Ų2243.1 Ų43.115%0.15422%0.215CC..SBendtrans-151.9-178.3171.180.70000109.8S14 V15 Y108S12-S14 PolarHBondContact O-N 2.93Å; S12-S14 VanDerWaalsContact O-N 3.15Å; S12-S14 PolarHBondContact OG-N 2.99Å; S12-S14 PolarHBondContact OG-OG 2.99Å; S12-V15 PolarHBondContact N-O 3.03Å; S12-V15 PolarHBondContact OG-N 3.35Å; S12-Y108 WeakPolarHBondContact CB-OH 3.37Å; S12-Y108 PolarHBondContact OG-OH 2.89Å
13K97.2Very high97.9Very high198 Ų19845.6 Ų45.686%0.86122%0.221SC*.SBendtrans-61.6-18.8174.7-64.6-176.1179.11800114
14S98.1Very high97.9Very high16 Ų1645.1 Ų45.111%0.11222%0.222CC..SBendtrans-127-14-168.945.50000113.9S12 E84 K89 V90S12-S14 PolarHBondContact O-N 2.93Å; S12-S14 VanDerWaalsContact O-N 3.15Å; S12-S14 PolarHBondContact OG-N 2.99Å; S12-S14 PolarHBondContact OG-OG 2.99Å; S14-E84 PolarHBondContact OG-OE1 3.46Å; S14-K89 CarbonylContact O-C 3.51Å; S14-K89 VanDerWaalsContact O-CA 3.23Å; S14-K89 WeakPolarHBondContact O-CA 3.3Å; S14-K89 WeakPolarHBondContact O-CB 3.09Å; S14-V90 PolarHBondContact O-N 2.93Å
15V98.7Very high97.9Very high0 Ų044.5 Ų44.50%022%0.219CC..EExtended strand (participates in β ladder)trans-126.2129.2-175.5-178.10000111V11 S12 I80 V90 L105 Y108V11-V15 HydrophobicContact CG2-CB 4.03Å; V11-V15 HydrophobicContact CG2-CG1 3.9Å; V11-V15 WeakPolarHBondContact CG2-O 3.29Å; V11-V15 PolarHBondContact N-O 3.15Å; S12-V15 PolarHBondContact N-O 3.03Å; S12-V15 PolarHBondContact OG-N 3.35Å; V15-I80 HydrophobicContact CG2-CG2 3.72Å; V15-V90 WeakPolarHBondContact CA-O 3.11Å; V15-L105 HydrophobicContact CG1-CD2 3.64Å; V15-Y108 HydrophobicContact CB-CD1 4.27Å; V15-Y108 HydrophobicContact CB-CE1 3.73Å; V15-Y108 HydrophobicContact CG1-CD1 4.2Å; V15-Y108 HydrophobicContact CG1-CE1 4.17Å; V15-Y108 HydrophobicContact CG2-CD1 4.41Å; V15-Y108 HydrophobicContact CG2-CD2 4.39Å; V15-Y108 HydrophobicContact CG2-CE1 3.79Å; V15-Y108 HydrophobicContact CG2-CE2 3.76Å; V15-Y108 WeakPolarHBondContact CG2-OH 3.44Å
16A98.7Very high97.9Very high0 Ų044.7 Ų44.70%022%0.22CC..EExtended strand (participates in β ladder)trans-126.8151.2178.600000112.3F8 S9 W10 I36 V90 V92F8-A16 HydrophobicContact CE2-CB 3.8Å; F8-A16 HydrophobicContact CZ-CB 4.01Å; S9-A16 VanDerWaalsContact O-CA 3.31Å; S9-A16 WeakPolarHBondContact O-CA 3.37Å; S9-A16 WeakPolarHBondContact O-CB 3.36Å; W10-A16 HydrophobicContact CD2-CB 4Å; W10-A16 HydrophobicContact CE3-CB 3.65Å; W10-A16 HydrophobicContact CH2-CB 4.33Å; W10-A16 HydrophobicContact CZ3-CB 3.81Å; A16-I36 HydrophobicContact CB-CD1 4.34Å; A16-V90 PolarHBondContact N-O 2.96Å; A16-V92 PolarHBondContact O-N 3.43Å
17G98.6Very high97.9Very high0 Ų041.2 Ų41.20%020%0.195CC..EExtended strand (participates in β ladder)trans-111.4146.4170.800000111.8F8 S9 V92 R128F8-G17 CarbonylContact C-O 3.58Å; F8-G17 VanDerWaalsContact CA-O 3.27Å; F8-G17 WeakPolarHBondContact CA-O 3.47Å; S9-G17 PolarHBondContact N-O 3.06Å; S9-G17 PolarHBondContact O-N 2.71Å; G17-V92 VanDerWaalsContact CA-O 3.32Å; G17-V92 WeakPolarHBondContact CA-O 3.36Å; G17-R128 PolarHBondContact O-NH1 3.46Å; G17-R128 PolarHBondContact O-NH2 3.04Å
18F98.6Very high97.9Very high0 Ų038.4 Ų38.40%018%0.181CC..EExtended strand (participates in β ladder)trans-156168.1173.946.7-84.2000112.8P5 F8 P21 L30 I36 G91 V92 H93 G97P5-F18 HydrophobicContact CB-CB 4.18Å; P5-F18 HydrophobicContact CB-CD2 4.07Å; P5-F18 HydrophobicContact CB-CG 4.42Å; P5-F18 HydrophobicContact CG-CB 4.38Å; P5-F18 HydrophobicContact CG-CD2 3.89Å; P5-F18 HydrophobicContact CG-CE2 4.49Å; P5-F18 HydrophobicContact CG-CG 4.23Å; F8-F18 HydrophobicContact CB-CB 4.04Å; F8-F18 HydrophobicContact CD2-CB 4.12Å; F8-F18 AromaticContact CD2-CD1 3.81Å; F8-F18 HydrophobicContact CD2-CD1 3.81Å; F8-F18 HydrophobicContact CD2-CG 4.23Å; F8-F18 HydrophobicContact CE2-CD1 4.27Å; F18-P21 HydrophobicContact CE2-CG 4.23Å; F18-L30 HydrophobicContact CD1-CD2 4.16Å; F18-L30 HydrophobicContact CD2-CD1 4.3Å; F18-L30 HydrophobicContact CE1-CD1 4.14Å; F18-L30 HydrophobicContact CE1-CD2 3.91Å; F18-L30 HydrophobicContact CE2-CD1 3.58Å; F18-L30 HydrophobicContact CZ-CD1 3.5Å; F18-L30 HydrophobicContact CZ-CD2 4.14Å; F18-L30 HydrophobicContact CZ-CG 4.49Å; F18-I36 HydrophobicContact CE1-CD1 4.25Å; F18-G91 VanDerWaalsContact CE1-CA 3.44Å; F18-V92 PolarHBondContact N-O 3.18Å; F18-V92 VanDerWaalsContact N-O 3.13Å; F18-H93 HydrophobicContact CD2-CB 3.52Å; F18-H93 HydrophobicContact CE2-CB 3.52Å; F18-H93 AromaticContact CE2-CD2 3.75Å; F18-H93 AromaticContact CE2-CG 3.77Å; F18-H93 HydrophobicContact CG-CB 4.11Å; F18-H93 HydrophobicContact CZ-CB 4.15Å; F18-H93 VanDerWaalsContact O-CA 3.29Å; F18-H93 WeakPolarHBondContact O-CA 3.43Å; F18-H93 WeakPolarHBondContact O-CB 3.36Å; F18-G97 WeakPolarHBondContact O-CA 3.39Å
19A98.1Very high97.9Very high8 Ų839.4 Ų39.47%0.06618%0.184CC..PPolyproline II helixtrans-79.4170.1170.100000111.3S6 N7 P21 C94 Q95S6-A19 WeakPolarHBondContact O-CB 3.41Å; S6-A19 PolarHBondContact O-N 3.18Å; N7-A19 HydrophobicContact CB-CB 4.39Å; A19-P21 WeakPolarHBondContact O-CD 3.44Å; A19-P21 VanDerWaalsContact O-N 3.17Å; A19-C94 CarbonylContact C-O 3.49Å; A19-Q95 WeakPolarHBondContact CB-O 3.46Å
20F98.2Very high97.9Very high10 Ų1037.8 Ų37.84%0.04417%0.173CC..PPolyproline II helixtrans-57.1119.5-176.5-169.3-85.4000111.6R22 C43 E45 P47 H93 C94 Q95F20-R22 HydrophobicContact CD1-CG 4Å; F20-R22 PolarHBondContact O-N 2.75Å; F20-C43 HydrophobicContact CD2-CB 4Å; F20-C43 HydrophobicContact CE2-CB 4.04Å; F20-E45 HydrophobicContact CE2-CB 4.09Å; F20-E45 HydrophobicContact CE2-CG 4.28Å; F20-E45 WeakPolarHBondContact CE2-O 3.45Å; F20-E45 HydrophobicContact CZ-CB 4.14Å; F20-E45 HydrophobicContact CZ-CG 3.82Å; F20-P47 HydrophobicContact CE1-CB 4.43Å; F20-P47 HydrophobicContact CE1-CG 4.39Å; F20-P47 HydrophobicContact CE2-CG 4.04Å; F20-P47 HydrophobicContact CZ-CB 4.25Å; F20-P47 HydrophobicContact CZ-CG 3.94Å; F20-H93 AromaticContact CD2-CE1 3.69Å; F20-H93 AromaticContact CD2-ND1 3.98Å; F20-C94 WeakPolarHBondContact CA-O 3.44Å; F20-C94 PolarHBondContact N-O 2.93Å; F20-Q95 PolarHBondContact N-O 3.13Å
21P97.8Very high97.8Very high1 Ų135.2 Ų35.21%0.00617%0.167CC..PPolyproline II helixtrans-73.7119.1176.429.5-31.2000109.2P5 F18 A19 E26 L27 P47P5-P21 HydrophobicContact CB-CB 4.31Å; P5-P21 HydrophobicContact CG-CB 4.24Å; F18-P21 HydrophobicContact CE2-CG 4.23Å; A19-P21 WeakPolarHBondContact O-CD 3.44Å; A19-P21 VanDerWaalsContact O-N 3.17Å; P21-E26 WeakPolarHBondContact CA-OE2 3.31Å; P21-E26 HydrophobicContact CB-CB 4.18Å; P21-L27 HydrophobicContact CB-CD2 3.75Å; P21-L27 HydrophobicContact CB-CG 4.15Å; P21-L27 HydrophobicContact CG-CD2 3.57Å; P21-L27 HydrophobicContact CG-CG 4.38Å; P21-P47 HydrophobicContact CG-CB 3.99Å; P21-P47 HydrophobicContact CG-CG 3.73Å
22R96.6Very high97.7Very high127 Ų12740.4 Ų40.448%0.47919%0.194SC..  trans-97.4-36.1-177.9-62.5-172-175-71.7-6111.8F20 E26F20-R22 HydrophobicContact CD1-CG 4Å; F20-R22 PolarHBondContact O-N 2.75Å; R22-E26 PolarHBondContact N-OE2 2.67Å
23E96.7Very high97.6Very high96 Ų9643.9 Ų43.945%0.44921%0.211SC..SBendtrans-103146.2-171.5-61.4-60.5146.900111.8C25 E26 L27E23-C25 PolarHBondContact O-N 2.78Å; E23-E26 HydrophobicContact CB-CG 4.14Å; E23-E26 PolarHBondContact N-OE2 3.15Å; E23-E26 WeakPolarHBondContact O-CB 3.32Å; E23-E26 PolarHBondContact O-N 2.61Å; E23-L27 PolarHBondContact O-N 3Å
24K97.1Very high97.6Very high103 Ų10334.7 Ų34.745%0.44817%0.172SC..Hα-helixtrans-55.9-35.4175.2-173.4166.2-179.4159.10112.4E26 L27 G28 Y49 D52 F53K24-E26 VanDerWaalsContact C-N 3.26Å; K24-E26 PolarHBondContact O-N 2.96Å; K24-L27 PolarHBondContact O-N 3.27Å; K24-G28 PolarHBondContact O-N 3.48Å; K24-Y49 HydrophobicContact CB-CD1 4.17Å; K24-Y49 HydrophobicContact CB-CD2 3.71Å; K24-Y49 HydrophobicContact CB-CE2 4.08Å; K24-Y49 HydrophobicContact CB-CG 3.75Å; K24-Y49 HydrophobicContact CD-CD1 4.2Å; K24-Y49 HydrophobicContact CD-CG 4.41Å; K24-Y49 HydrophobicContact CG-CD1 4.48Å; K24-Y49 HydrophobicContact CG-CG 4.2Å; K24-Y49 VanDerWaalsContact N-CD2 3.3Å; K24-D52 WeakPolarHBondContact CE-OD2 3.45Å; K24-D52 IonicContact NZ-OD2 3.15Å; K24-D52 PolarHBondContact NZ-OD2 3.26Å; K24-F53 HydrophobicContact CG-CE2 4Å; K24-F53 HydrophobicContact CG-CZ 3.84Å; K24-F53 WeakPolarHBondContact O-CZ 3.19Å
25C97.4Very high97.6Very high44 Ų4435.4 Ų35.430%0.29718%0.182SC..Hα-helixtrans-68.4-22.8178.167.60000113.8S2 R3 E23 Y29S2-C25 WeakPolarHBondContact CA-O 3.36Å; S2-C25 WeakPolarHBondContact CB-O 3.41Å; R3-C25 PolarHBondContact N-O 2.8Å; E23-C25 PolarHBondContact O-N 2.78Å; C25-Y29 PolarHBondContact O-N 2.84Å; C25-Y29 VanDerWaalsContact O-N 3.15Å
26E98.3Very high97.6Very high7 Ų735.5 Ų35.53%0.03318%0.183CC..Hα-helixtrans-75.6-43.6175.1-68.3175.1147.400111.1R3 P5 P21 R22 E23 K24 G28 Y29 L30R3-E26 HydrophobicContact CG-CG 4.26Å; R3-E26 IonicContact CZ-OE1 3.5Å; R3-E26 IonicContact NH1-OE1 2.74Å; R3-E26 PolarHBondContact NH1-OE1 2.93Å; R3-E26 IonicContact NH2-OE1 3.9Å; R3-E26 PolarHBondContact NH2-OE1 3.36Å; R3-E26 VanDerWaalsContact O-CA 3.3Å; R3-E26 WeakPolarHBondContact O-CA 3.27Å; P5-E26 HydrophobicContact CB-CB 4.28Å; P5-E26 HydrophobicContact CG-CB 4.05Å; P21-E26 WeakPolarHBondContact CA-OE2 3.31Å; P21-E26 HydrophobicContact CB-CB 4.18Å; R22-E26 PolarHBondContact N-OE2 2.67Å; E23-E26 HydrophobicContact CB-CG 4.14Å; E23-E26 PolarHBondContact N-OE2 3.15Å; E23-E26 WeakPolarHBondContact O-CB 3.32Å; E23-E26 PolarHBondContact O-N 2.61Å; K24-E26 VanDerWaalsContact C-N 3.26Å; K24-E26 PolarHBondContact O-N 2.96Å; E26-G28 VanDerWaalsContact C-N 3.35Å; E26-Y29 WeakPolarHBondContact O-CB 3.41Å; E26-Y29 PolarHBondContact O-N 3.13Å; E26-L30 WeakPolarHBondContact O-CG 3.45Å; E26-L30 PolarHBondContact O-N 3.42Å
27L97.7Very high97.6Very high2 Ų238 Ų381%0.0120%0.198CC..Hα-helixtrans-65.1-39.4171.9-68.3-179.8000111.8P21 E23 K24 Y29 L30 V31 I39 P47 Y49 I50 F53 F55P21-L27 HydrophobicContact CB-CD2 3.75Å; P21-L27 HydrophobicContact CB-CG 4.15Å; P21-L27 HydrophobicContact CG-CD2 3.57Å; P21-L27 HydrophobicContact CG-CG 4.38Å; E23-L27 PolarHBondContact O-N 3Å; K24-L27 PolarHBondContact O-N 3.27Å; L27-Y29 VanDerWaalsContact C-N 3.28Å; L27-Y29 PolarHBondContact O-N 2.87Å; L27-L30 HydrophobicContact CD2-CD1 4.05Å; L27-L30 WeakPolarHBondContact O-CB 3.32Å; L27-L30 PolarHBondContact O-N 3.41Å; L27-V31 PolarHBondContact O-N 2.75Å; L27-V31 VanDerWaalsContact O-N 3.16Å; L27-I39 HydrophobicContact CD2-CD1 4.18Å; L27-P47 HydrophobicContact CD1-CB 4.39Å; L27-Y49 VanDerWaalsContact CD1-C 3.41Å; L27-Y49 WeakPolarHBondContact CD1-O 3.48Å; L27-I50 HydrophobicContact CD1-CD1 4.39Å; L27-I50 HydrophobicContact CD2-CD1 4.02Å; L27-F53 HydrophobicContact CB-CD2 3.65Å; L27-F53 HydrophobicContact CB-CE2 3.32Å; L27-F53 HydrophobicContact CB-CG 4.43Å; L27-F53 HydrophobicContact CB-CZ 3.85Å; L27-F53 HydrophobicContact CD1-CD2 3.98Å; L27-F53 HydrophobicContact CD1-CE2 3.94Å; L27-F53 HydrophobicContact CG-CD2 4.48Å; L27-F53 HydrophobicContact CG-CE2 4.3Å; L27-F55 HydrophobicContact CB-CE2 4.34Å; L27-F55 HydrophobicContact CD2-CE2 4.33Å
28G97.6Very high97.6Very high5 Ų538.1 Ų38.15%0.05220%0.199CC..Hα-helixtrans-57.7-39.5173.500000112.7K24 E26 L30 V31 D32 F53K24-G28 PolarHBondContact O-N 3.48Å; E26-G28 VanDerWaalsContact C-N 3.35Å; G28-L30 VanDerWaalsContact C-N 3.33Å; G28-L30 PolarHBondContact O-N 3.49Å; G28-V31 PolarHBondContact O-N 3.48Å; G28-D32 WeakPolarHBondContact O-CB 3.49Å; G28-D32 PolarHBondContact O-N 2.92Å; G28-F53 VanDerWaalsContact CA-CE1 3.42Å
29Y98.3Very high97.6Very high55 Ų5538.1 Ų38.122%0.21620%0.199CC..Hα-helixtrans-61.6-41.2173.3179.7-87000112.6R3 P4 F8 C25 E26 L27 V31 N33 A34R3-Y29 VanDerWaalsContact C-CB 3.44Å; R3-Y29 VanDerWaalsContact C-CG 3.48Å; R3-Y29 WeakPolarHBondContact O-CB 3.28Å; P4-Y29 VanDerWaalsContact CA-CD1 3.47Å; P4-Y29 HydrophobicContact CB-CD1 3.87Å; P4-Y29 HydrophobicContact CB-CE1 3.62Å; P4-Y29 HydrophobicContact CB-CE2 4.32Å; P4-Y29 HydrophobicContact CB-CG 4.32Å; P4-Y29 HydrophobicContact CG-CE1 4.49Å; P4-Y29 HydrophobicContact CG-CE2 4.4Å; F8-Y29 HydrophobicContact CD1-CE1 4.2Å; F8-Y29 HydrophobicContact CE1-CE1 4.03Å; F8-Y29 HydrophobicContact CZ-CE1 4.2Å; C25-Y29 PolarHBondContact O-N 2.84Å; C25-Y29 VanDerWaalsContact O-N 3.15Å; E26-Y29 WeakPolarHBondContact O-CB 3.41Å; E26-Y29 PolarHBondContact O-N 3.13Å; L27-Y29 VanDerWaalsContact C-N 3.28Å; L27-Y29 PolarHBondContact O-N 2.87Å; Y29-V31 VanDerWaalsContact C-N 3.34Å; Y29-V31 PolarHBondContact O-N 3.49Å; Y29-N33 HydrophobicContact CD2-CB 3.6Å; Y29-N33 HydrophobicContact CE2-CB 3.66Å; Y29-N33 HydrophobicContact CG-CB 4.06Å; Y29-N33 WeakPolarHBondContact O-CA 3.11Å; Y29-N33 WeakPolarHBondContact O-CB 3.34Å; Y29-N33 PolarHBondContact O-N 3.34Å; Y29-A34 HydrophobicContact CD1-CB 4.48Å; Y29-A34 HydrophobicContact CE1-CB 4.21Å; Y29-A34 PolarHBondContact O-N 2.87Å
30L98Very high97.6Very high0 Ų037.8 Ų37.80%020%0.195CC..Hα-helixtrans-63-40.1-179.1-62.1175.1000111.5P5 F8 F18 E26 L27 G28 A34 G35 I36 I39 F55P5-L30 HydrophobicContact CG-CD1 3.99Å; P5-L30 HydrophobicContact CG-CD2 3.83Å; P5-L30 HydrophobicContact CG-CG 3.96Å; F8-L30 HydrophobicContact CD2-CD2 3.67Å; F8-L30 HydrophobicContact CE2-CD2 3.55Å; F18-L30 HydrophobicContact CD1-CD2 4.16Å; F18-L30 HydrophobicContact CD2-CD1 4.3Å; F18-L30 HydrophobicContact CE1-CD1 4.14Å; F18-L30 HydrophobicContact CE1-CD2 3.91Å; F18-L30 HydrophobicContact CE2-CD1 3.58Å; F18-L30 HydrophobicContact CZ-CD1 3.5Å; F18-L30 HydrophobicContact CZ-CD2 4.14Å; F18-L30 HydrophobicContact CZ-CG 4.49Å; E26-L30 WeakPolarHBondContact O-CG 3.45Å; E26-L30 PolarHBondContact O-N 3.42Å; L27-L30 HydrophobicContact CD2-CD1 4.05Å; L27-L30 WeakPolarHBondContact O-CB 3.32Å; L27-L30 PolarHBondContact O-N 3.41Å; G28-L30 VanDerWaalsContact C-N 3.33Å; G28-L30 PolarHBondContact O-N 3.49Å; L30-A34 WeakPolarHBondContact O-CB 3.37Å; L30-G35 PolarHBondContact O-N 3.5Å; L30-I36 HydrophobicContact CB-CB 4.42Å; L30-I36 HydrophobicContact CB-CD1 4.3Å; L30-I36 HydrophobicContact CD2-CD1 3.71Å; L30-I36 WeakPolarHBondContact O-CB 3.39Å; L30-I36 PolarHBondContact O-N 3.48Å; L30-I39 HydrophobicContact CD1-CD1 3.93Å; L30-F55 HydrophobicContact CB-CE1 4.09Å; L30-F55 HydrophobicContact CB-CZ 3.82Å
31V95.8Very high97.6Very high33 Ų3337.3 Ų37.320%0.219%0.193CC..Hα-helixtrans-72.1-65.1172.8-173.60000110.5L27 G28 Y29 N33 G35 F53 F55L27-V31 PolarHBondContact O-N 2.75Å; L27-V31 VanDerWaalsContact O-N 3.16Å; G28-V31 PolarHBondContact O-N 3.48Å; Y29-V31 VanDerWaalsContact C-N 3.34Å; Y29-V31 PolarHBondContact O-N 3.49Å; V31-N33 PolarHBondContact O-N 3.34Å; V31-G35 WeakPolarHBondContact O-CA 3.31Å; V31-G35 PolarHBondContact O-N 2.99Å; V31-F53 HydrophobicContact CB-CD1 4.49Å; V31-F53 HydrophobicContact CG2-CB 3.93Å; V31-F53 HydrophobicContact CG2-CD1 3.63Å; V31-F53 HydrophobicContact CG2-CG 4.05Å; V31-F55 HydrophobicContact CB-CE1 4.29Å; V31-F55 HydrophobicContact CB-CZ 4.2Å; V31-F55 HydrophobicContact CG2-CD1 4.09Å; V31-F55 HydrophobicContact CG2-CD2 4.33Å; V31-F55 HydrophobicContact CG2-CE1 3.31Å; V31-F55 HydrophobicContact CG2-CE2 3.59Å; V31-F55 HydrophobicContact CG2-CZ 3.03Å
32D95.7Very high97.6Very high121 Ų12137.2 Ų37.265%0.64719%0.193SC*.Hα-helixtrans-78.1-30.4-158.2-59.6-30.6000112.4G28G28-D32 WeakPolarHBondContact O-CB 3.49Å; G28-D32 PolarHBondContact O-N 2.92Å
33N96.9Very high97.7Very high95 Ų9531.4 Ų31.451%0.50817%0.171SC..THydrogen-bonded Turntrans-105.9-43.7-176.1-59.191.2000112.4S2 Y29 V31S2-N33 PolarHBondContact OG-OD1 2.73Å; Y29-N33 HydrophobicContact CD2-CB 3.6Å; Y29-N33 HydrophobicContact CE2-CB 3.66Å; Y29-N33 HydrophobicContact CG-CB 4.06Å; Y29-N33 WeakPolarHBondContact O-CA 3.11Å; Y29-N33 WeakPolarHBondContact O-CB 3.34Å; Y29-N33 PolarHBondContact O-N 3.34Å; V31-N33 PolarHBondContact O-N 3.34Å
34A97.5Very high97.6Very high5 Ų532 Ų324%0.04117%0.174CC..THydrogen-bonded Turntrans-84.3-23.5-179.200000112.6F8 W10 Y29 L30 I36 K89F8-A34 HydrophobicContact CE2-CB 4.29Å; F8-A34 HydrophobicContact CZ-CB 3.86Å; W10-A34 HydrophobicContact CH2-CB 4.39Å; W10-A34 HydrophobicContact CZ2-CB 3.83Å; W10-A34 WeakPolarHBondContact CZ2-O 3.27Å; Y29-A34 HydrophobicContact CD1-CB 4.48Å; Y29-A34 HydrophobicContact CE1-CB 4.21Å; Y29-A34 PolarHBondContact O-N 2.87Å; L30-A34 WeakPolarHBondContact O-CB 3.37Å; A34-I36 VanDerWaalsContact C-N 3.31Å; A34-I36 HydrophobicContact CB-CD1 4.06Å; A34-I36 HydrophobicContact CB-CG1 4.13Å; A34-K89 WeakPolarHBondContact O-CD 3.45Å; A34-K89 PolarHBondContact O-NZ 3.34Å
35G97.5Very high97.6Very high32 Ų3232.4 Ų32.433%0.3318%0.177SC..  trans68.529.3-176.200000113L30 V31 K89L30-G35 PolarHBondContact O-N 3.5Å; V31-G35 WeakPolarHBondContact O-CA 3.31Å; V31-G35 PolarHBondContact O-N 2.99Å; G35-K89 WeakPolarHBondContact O-CB 3.43Å
36I98.3Very high97.6Very high2 Ų232.8 Ų32.81%0.0118%0.179CC..  trans-73.7129.8175.7-71.7167.2000108.9F8 W10 A16 F18 L30 A34 H38 I39 F55 K89F8-I36 HydrophobicContact CE2-CD1 3.9Å; W10-I36 HydrophobicContact CH2-CD1 4.36Å; W10-I36 HydrophobicContact CH2-CG1 3.98Å; A16-I36 HydrophobicContact CB-CD1 4.34Å; F18-I36 HydrophobicContact CE1-CD1 4.25Å; L30-I36 HydrophobicContact CB-CB 4.42Å; L30-I36 HydrophobicContact CB-CD1 4.3Å; L30-I36 HydrophobicContact CD2-CD1 3.71Å; L30-I36 WeakPolarHBondContact O-CB 3.39Å; L30-I36 PolarHBondContact O-N 3.48Å; A34-I36 VanDerWaalsContact C-N 3.31Å; A34-I36 HydrophobicContact CB-CD1 4.06Å; A34-I36 HydrophobicContact CB-CG1 4.13Å; I36-H38 WeakPolarHBondContact CG2-O 3.41Å; I36-I39 HydrophobicContact CG2-CG1 4Å; I36-F55 HydrophobicContact CB-CE1 4.35Å; I36-F55 HydrophobicContact CG2-CD1 4.31Å; I36-F55 HydrophobicContact CG2-CE1 4.13Å; I36-F55 WeakPolarHBondContact O-CD1 3.23Å; I36-F55 WeakPolarHBondContact O-CE1 3.33Å; I36-K89 HydrophobicContact CG1-CB 4.4Å
37T98.3Very high97.5Very high52 Ų5232.6 Ų32.632%0.31918%0.178SC..  trans-112.9-16.7179.450.30000112.3F55 K56 E88 K89T37-F55 WeakPolarHBondContact O-CA 3.35Å; T37-K56 PolarHBondContact O-N 3.47Å; T37-E88 VanDerWaalsContact OG1-CB 3.3Å; T37-E88 WeakPolarHBondContact OG1-CB 3.37Å; T37-K89 PolarHBondContact N-O 3.2Å; T37-K89 PolarHBondContact OG1-N 2.93Å; T37-K89 PolarHBondContact OG1-O 3.43Å
38H98.7Very high97.4Very high3 Ų339.2 Ų39.21%0.01421%0.209CC..EExtended strand (participates in β ladder)trans-124.6135.6175.5-60.9-119000111.1I36 K56 Y58 E88 K89 V90 G91I36-H38 WeakPolarHBondContact CG2-O 3.41Å; H38-K56 VanDerWaalsContact CA-O 3.3Å; H38-K56 WeakPolarHBondContact CA-O 3.25Å; H38-K56 WeakPolarHBondContact CE1-CD 3.39Å; H38-Y58 HydrophobicContact CB-CE2 3.95Å; H38-Y58 PolarHBondContact CE1-OH 3.12Å; H38-Y58 AromaticContact CG-CE2 3.96Å; H38-Y58 AromaticContact ND1-CE2 3.28Å; H38-Y58 VanDerWaalsContact ND1-CE2 3.28Å; H38-Y58 WeakPolarHBondContact ND1-CE2 3.39Å; H38-Y58 AromaticContact ND1-CZ 3.6Å; H38-Y58 PolarHBondContact ND1-OH 3.49Å; H38-Y58 VanDerWaalsContact ND1-OH 3.08Å; H38-E88 IonicContact CE1-OE2 2.75Å; H38-E88 IonicContact NE2-OE1 3.06Å; H38-E88 IonicContact NE2-OE2 3.36Å; H38-E88 PolarHBondContact NE2-OE2 3.29Å; H38-K89 PolarHBondContact N-O 2.89Å; H38-K89 VanDerWaalsContact N-O 3.08Å; H38-V90 HydrophobicContact CB-CB 4.37Å; H38-V90 HydrophobicContact CB-CG1 4.13Å; H38-V90 HydrophobicContact CB-CG2 4.03Å; H38-V90 WeakPolarHBondContact O-CA 3.46Å; H38-G91 PolarHBondContact O-N 3.47Å
39I98.5Very high97.3Very high0 Ų042 Ų420%022%0.218CC..EExtended strand (participates in β ladder)trans-121.8125.3173.2-67.1-177.4000109.8L27 L30 I36 I50 F55 K56 Y58 G91L27-I39 HydrophobicContact CD2-CD1 4.18Å; L30-I39 HydrophobicContact CD1-CD1 3.93Å; I36-I39 HydrophobicContact CG2-CG1 4Å; I39-I50 HydrophobicContact CB-CD1 4.49Å; I39-I50 HydrophobicContact CD1-CD1 3.79Å; I39-I50 HydrophobicContact CG2-CD1 4.35Å; I39-F55 HydrophobicContact CD1-CB 4.47Å; I39-F55 HydrophobicContact CD1-CD1 3.74Å; I39-F55 HydrophobicContact CD1-CD2 3.66Å; I39-F55 HydrophobicContact CD1-CE1 3.66Å; I39-F55 HydrophobicContact CD1-CE2 3.6Å; I39-F55 HydrophobicContact CD1-CG 3.71Å; I39-F55 HydrophobicContact CD1-CZ 3.57Å; I39-F55 HydrophobicContact CG1-CB 4.42Å; I39-F55 HydrophobicContact CG1-CD1 3.88Å; I39-F55 HydrophobicContact CG1-CD2 4.46Å; I39-F55 HydrophobicContact CG1-CE1 4.13Å; I39-F55 HydrophobicContact CG1-CG 4.03Å; I39-K56 PolarHBondContact N-O 2.84Å; I39-Y58 PolarHBondContact O-N 2.91Å; I39-G91 CarbonylContact C-O 3.5Å; I39-G91 WeakPolarHBondContact CA-O 3.3Å
40I98.6Very high97.1Very high0 Ų040.3 Ų40.30%021%0.213CC..EExtended strand (participates in β ladder)trans-101.6113.8170.6-56.6179.5000108.6L42 Y58 L60 A76 I79 I80 V90 G91 V92 H93I40-L42 HydrophobicContact CG2-CD2 4.05Å; I40-L42 HydrophobicContact CG2-CG 4.45Å; I40-Y58 WeakPolarHBondContact CA-O 3.46Å; I40-Y58 HydrophobicContact CG1-CD2 4.48Å; I40-L60 HydrophobicContact CG2-CD1 4Å; I40-L60 HydrophobicContact CG2-CG 4.45Å; I40-A76 HydrophobicContact CD1-CB 4.09Å; I40-I79 HydrophobicContact CD1-CB 4.19Å; I40-I79 HydrophobicContact CD1-CD1 4.38Å; I40-I79 HydrophobicContact CD1-CG2 3.99Å; I40-I79 HydrophobicContact CG1-CG2 4.25Å; I40-I80 HydrophobicContact CD1-CD1 4.43Å; I40-I80 HydrophobicContact CD1-CG1 4.14Å; I40-V90 HydrophobicContact CD1-CG1 4.01Å; I40-V90 HydrophobicContact CG1-CG1 4.12Å; I40-G91 PolarHBondContact N-O 3.32Å; I40-V92 HydrophobicContact CB-CG1 4.41Å; I40-V92 HydrophobicContact CB-CG2 4.4Å; I40-V92 HydrophobicContact CD1-CG2 4.25Å; I40-H93 PolarHBondContact O-CD2 3.38Å; I40-H93 PolarHBondContact O-N 3.44Å
41T98.4Very high97Very high0 Ų045.1 Ų45.10%025%0.246CC..EExtended strand (participates in β ladder)trans-98.9115.8176.4-61.70000109.9C43 E45 H57 Y58 L60 H93T41-C43 HydrophobicContact CG2-CB 4.18Å; T41-E45 WeakPolarHBondContact CG2-O 3.45Å; T41-H57 WeakPolarHBondContact CB-NE2 3.49Å; T41-H57 PolarHBondContact OG1-NE2 3.21Å; T41-Y58 PolarHBondContact N-O 2.75Å; T41-L60 CarbonylContact O-C 3.59Å; T41-L60 PolarHBondContact O-N 2.94Å; T41-H93 WeakPolarHBondContact CB-NE2 3.37Å; T41-H93 PolarHBondContact OG1-NE2 3.48Å
42L98.2Very high97Very high0 Ų047.4 Ų47.40%026%0.257CS..  trans-95.6-4.3176.2-56.8172.5000113.2I40 L60 V62 V92 H93 C94 R100 A101 I104I40-L42 HydrophobicContact CG2-CD2 4.05Å; I40-L42 HydrophobicContact CG2-CG 4.45Å; L42-L60 WeakPolarHBondContact CA-O 3.44Å; L42-L60 HydrophobicContact CD2-CB 4.17Å; L42-L60 WeakPolarHBondContact CD2-O 3.35Å; L42-V62 HydrophobicContact CD2-CG2 4.34Å; L42-V62 PolarHBondContact O-N 2.95Å; L42-V92 HydrophobicContact CD1-CG1 4.02Å; L42-H93 WeakPolarHBondContact CB-O 3.43Å; L42-H93 WeakPolarHBondContact CG-O 3.24Å; L42-H93 PolarHBondContact N-O 3.45Å; L42-C94 HydrophobicContact CB-CB 4.15Å; L42-R100 HydrophobicContact CB-CB 4.27Å; L42-R100 VanDerWaalsContact CD1-C 3.44Å; L42-R100 HydrophobicContact CD1-CB 3.92Å; L42-R100 WeakPolarHBondContact CD1-O 3.39Å; L42-R100 PolarHBondContact O-NH1 2.93Å; L42-A101 HydrophobicContact CD1-CB 4.27Å; L42-I104 HydrophobicContact CD1-CG1 3.83Å; L42-I104 HydrophobicContact CD2-CG1 4.38Å
43C97.4Very high97Very high4 Ų443.6 Ų43.63%0.02724%0.235CC..SBendtrans-78.6153.9171.8-67.90000110.7F20 T41 E45 H59 Q95F20-C43 HydrophobicContact CD2-CB 4Å; F20-C43 HydrophobicContact CE2-CB 4.04Å; T41-C43 HydrophobicContact CG2-CB 4.18Å; C43-E45 VanDerWaalsContact C-N 3.33Å; C43-E45 WeakPolarHBondContact CB-O 3.47Å; C43-H59 PolarHBondContact O-CD2 2.96Å; C43-H59 PolarHBondContact O-NE2 2.84Å; C43-Q95 PolarHBondContact SG-N 2.82Å
44H96.5Very high96.8Very high110 Ų11045.5 Ų45.551%0.50925%0.25SS..SBendtrans-66-39.1168.2-78-96.8000111.6H59 E63H44-H59 PolarHBondContact O-CE1 3.29Å; H44-H59 PolarHBondContact O-NE2 2.65Å; H44-H59 VanDerWaalsContact O-NE2 3.15Å; H44-E63 IonicContact NE2-OE2 3.89Å
45E96.5Very high96.6Very high110 Ų11046.4 Ų46.451%0.51425%0.253SS..SBendtrans-70.4143.3171.3-168.4-175167.100111.2F20 T41 C43F20-E45 HydrophobicContact CE2-CB 4.09Å; F20-E45 HydrophobicContact CE2-CG 4.28Å; F20-E45 WeakPolarHBondContact CE2-O 3.45Å; F20-E45 HydrophobicContact CZ-CB 4.14Å; F20-E45 HydrophobicContact CZ-CG 3.82Å; T41-E45 WeakPolarHBondContact CG2-O 3.45Å; C43-E45 VanDerWaalsContact C-N 3.33Å; C43-E45 WeakPolarHBondContact CB-O 3.47Å
46V96.2Very high96.6Very high53 Ų5349.2 Ų49.232%0.32126%0.256SS..PPolyproline II helixtrans-100.3134.9171.7173.70000108.7Q48 I50V46-Q48 PolarHBondContact O-N 3.44Å; V46-I50 HydrophobicContact CG1-CB 4.32Å; V46-I50 HydrophobicContact CG1-CG2 3.48Å; V46-I50 VanDerWaalsContact CG1-CG2 3.48Å
47P96.6Very high96.6Very high2 Ų252.1 Ų52.11%0.01327%0.27CS..PPolyproline II helixtrans-53.7128.4176.9-27.935.9000112.5F20 P21 L27 Y49 I50F20-P47 HydrophobicContact CE1-CB 4.43Å; F20-P47 HydrophobicContact CE1-CG 4.39Å; F20-P47 HydrophobicContact CE2-CG 4.04Å; F20-P47 HydrophobicContact CZ-CB 4.25Å; F20-P47 HydrophobicContact CZ-CG 3.94Å; P21-P47 HydrophobicContact CG-CB 3.99Å; P21-P47 HydrophobicContact CG-CG 3.73Å; L27-P47 HydrophobicContact CD1-CB 4.39Å; P47-Y49 VanDerWaalsContact C-N 3.26Å; P47-Y49 PolarHBondContact O-N 3.33Å; P47-Y49 VanDerWaalsContact O-N 3.09Å; P47-I50 HydrophobicContact CB-CB 4.32Å; P47-I50 VanDerWaalsContact O-CB 3.31Å; P47-I50 WeakPolarHBondContact O-CB 3.47Å; P47-I50 WeakPolarHBondContact O-CG2 3.38Å; P47-I50 PolarHBondContact O-N 3.33Å
48Q95.5Very high96.6Very high141 Ų14152.8 Ų52.866%0.65927%0.267SS*.THydrogen-bonded Turntrans-50.9-41.1-170.6-178.1178.76.800114.2V46V46-Q48 PolarHBondContact O-N 3.44Å
49Y95.7Very high96.5Very high65 Ų6556.4 Ų56.426%0.25528%0.284SS..THydrogen-bonded Turntrans-98.914.3-175-50.7-74.7000113.3K24 L27 P47 S51 D52 F53K24-Y49 HydrophobicContact CB-CD1 4.17Å; K24-Y49 HydrophobicContact CB-CD2 3.71Å; K24-Y49 HydrophobicContact CB-CE2 4.08Å; K24-Y49 HydrophobicContact CB-CG 3.75Å; K24-Y49 HydrophobicContact CD-CD1 4.2Å; K24-Y49 HydrophobicContact CD-CG 4.41Å; K24-Y49 HydrophobicContact CG-CD1 4.48Å; K24-Y49 HydrophobicContact CG-CG 4.2Å; K24-Y49 VanDerWaalsContact N-CD2 3.3Å; L27-Y49 VanDerWaalsContact CD1-C 3.41Å; L27-Y49 WeakPolarHBondContact CD1-O 3.48Å; P47-Y49 VanDerWaalsContact C-N 3.26Å; P47-Y49 PolarHBondContact O-N 3.33Å; P47-Y49 VanDerWaalsContact O-N 3.09Å; Y49-S51 PolarHBondContact O-N 3.4Å; Y49-D52 WeakPolarHBondContact O-CB 3.47Å; Y49-D52 PolarHBondContact O-N 2.85Å; Y49-F53 VanDerWaalsContact O-CD2 3.27Å; Y49-F53 WeakPolarHBondContact O-CD2 3.23Å
50I95.2Very high96.5Very high19 Ų1957.9 Ų57.910%0.09729%0.291CS..G310 helixtrans-58.1-36.6-174.8-161.168.3000112.4L27 I39 V46 P47 D52 F53 F55 H57L27-I50 HydrophobicContact CD1-CD1 4.39Å; L27-I50 HydrophobicContact CD2-CD1 4.02Å; I39-I50 HydrophobicContact CB-CD1 4.49Å; I39-I50 HydrophobicContact CD1-CD1 3.79Å; I39-I50 HydrophobicContact CG2-CD1 4.35Å; V46-I50 HydrophobicContact CG1-CB 4.32Å; V46-I50 HydrophobicContact CG1-CG2 3.48Å; V46-I50 VanDerWaalsContact CG1-CG2 3.48Å; P47-I50 HydrophobicContact CB-CB 4.32Å; P47-I50 VanDerWaalsContact O-CB 3.31Å; P47-I50 WeakPolarHBondContact O-CB 3.47Å; P47-I50 WeakPolarHBondContact O-CG2 3.38Å; P47-I50 PolarHBondContact O-N 3.33Å; I50-D52 VanDerWaalsContact C-N 3.25Å; I50-D52 PolarHBondContact O-N 2.92Å; I50-F53 PolarHBondContact O-N 3.45Å; I50-F55 HydrophobicContact CD1-CD2 4.1Å; I50-H57 HydrophobicContact CG1-CB 4.17Å
51S94.7Very high96.4Very high100 Ų10060.5 Ų60.570%0.69931%0.309SS*.G310 helixtrans-73-13.9-179.452.80000114.1Y49 F53Y49-S51 PolarHBondContact O-N 3.4Å; S51-F53 PolarHBondContact O-N 3.48Å
52D95.8Very high96.3Very high82 Ų8261 Ų6144%0.43931%0.312SS..G310 helixtrans-78.1-6179.2-67.16.8000112.2K24 Y49 I50K24-D52 WeakPolarHBondContact CE-OD2 3.45Å; K24-D52 IonicContact NZ-OD2 3.15Å; K24-D52 PolarHBondContact NZ-OD2 3.26Å; Y49-D52 WeakPolarHBondContact O-CB 3.47Å; Y49-D52 PolarHBondContact O-N 2.85Å; I50-D52 VanDerWaalsContact C-N 3.25Å; I50-D52 PolarHBondContact O-N 2.92Å
53F95.7Very high96Very high40 Ų4066.5 Ų66.518%0.17534%0.337CS..SBendtrans-126.5157.2-174.3-62.2-83.8000111.3K24 L27 G28 V31 Y49 I50 S51 F55K24-F53 HydrophobicContact CG-CE2 4Å; K24-F53 HydrophobicContact CG-CZ 3.84Å; K24-F53 WeakPolarHBondContact O-CZ 3.19Å; L27-F53 HydrophobicContact CB-CD2 3.65Å; L27-F53 HydrophobicContact CB-CE2 3.32Å; L27-F53 HydrophobicContact CB-CG 4.43Å; L27-F53 HydrophobicContact CB-CZ 3.85Å; L27-F53 HydrophobicContact CD1-CD2 3.98Å; L27-F53 HydrophobicContact CD1-CE2 3.94Å; L27-F53 HydrophobicContact CG-CD2 4.48Å; L27-F53 HydrophobicContact CG-CE2 4.3Å; G28-F53 VanDerWaalsContact CA-CE1 3.42Å; V31-F53 HydrophobicContact CB-CD1 4.49Å; V31-F53 HydrophobicContact CG2-CB 3.93Å; V31-F53 HydrophobicContact CG2-CD1 3.63Å; V31-F53 HydrophobicContact CG2-CG 4.05Å; Y49-F53 VanDerWaalsContact O-CD2 3.27Å; Y49-F53 WeakPolarHBondContact O-CD2 3.23Å; I50-F53 PolarHBondContact O-N 3.45Å; S51-F53 PolarHBondContact O-N 3.48Å; F53-F55 HydrophobicContact CB-CD2 3.42Å; F53-F55 VanDerWaalsContact CB-CD2 3.42Å; F53-F55 HydrophobicContact CB-CE2 3.33Å; F53-F55 HydrophobicContact CB-CG 4.41Å; F53-F55 HydrophobicContact CB-CZ 4.28Å; F53-F55 HydrophobicContact CD1-CE2 4.5Å; F53-F55 HydrophobicContact CD2-CE2 4.13Å; F53-F55 HydrophobicContact CG-CD2 4.32Å; F53-F55 AromaticContact CG-CE2 3.75Å; F53-F55 HydrophobicContact CG-CE2 3.75Å; F53-F55 PolarHBondContact O-N 3.04Å; F53-F55 VanDerWaalsContact O-N 3.1Å
54T92.3Very high95.3Very high136 Ų13670 Ų7083%0.83436%0.356SS*.  trans-84.826.7-173.561.40000114
55F94.1Very high94.6Very high23 Ų2370.8 Ų70.810%0.10136%0.363CS..  trans-69147.1177.9-56.4-72.4000111L27 L30 V31 I36 T37 I39 I50 F53 H57L27-F55 HydrophobicContact CB-CE2 4.34Å; L27-F55 HydrophobicContact CD2-CE2 4.33Å; L30-F55 HydrophobicContact CB-CE1 4.09Å; L30-F55 HydrophobicContact CB-CZ 3.82Å; V31-F55 HydrophobicContact CB-CE1 4.29Å; V31-F55 HydrophobicContact CB-CZ 4.2Å; V31-F55 HydrophobicContact CG2-CD1 4.09Å; V31-F55 HydrophobicContact CG2-CD2 4.33Å; V31-F55 HydrophobicContact CG2-CE1 3.31Å; V31-F55 HydrophobicContact CG2-CE2 3.59Å; V31-F55 HydrophobicContact CG2-CZ 3.03Å; I36-F55 HydrophobicContact CB-CE1 4.35Å; I36-F55 HydrophobicContact CG2-CD1 4.31Å; I36-F55 HydrophobicContact CG2-CE1 4.13Å; I36-F55 WeakPolarHBondContact O-CD1 3.23Å; I36-F55 WeakPolarHBondContact O-CE1 3.33Å; T37-F55 WeakPolarHBondContact O-CA 3.35Å; I39-F55 HydrophobicContact CD1-CB 4.47Å; I39-F55 HydrophobicContact CD1-CD1 3.74Å; I39-F55 HydrophobicContact CD1-CD2 3.66Å; I39-F55 HydrophobicContact CD1-CE1 3.66Å; I39-F55 HydrophobicContact CD1-CE2 3.6Å; I39-F55 HydrophobicContact CD1-CG 3.71Å; I39-F55 HydrophobicContact CD1-CZ 3.57Å; I39-F55 HydrophobicContact CG1-CB 4.42Å; I39-F55 HydrophobicContact CG1-CD1 3.88Å; I39-F55 HydrophobicContact CG1-CD2 4.46Å; I39-F55 HydrophobicContact CG1-CE1 4.13Å; I39-F55 HydrophobicContact CG1-CG 4.03Å; I50-F55 HydrophobicContact CD1-CD2 4.1Å; F53-F55 HydrophobicContact CB-CD2 3.42Å; F53-F55 VanDerWaalsContact CB-CD2 3.42Å; F53-F55 HydrophobicContact CB-CE2 3.33Å; F53-F55 HydrophobicContact CB-CG 4.41Å; F53-F55 HydrophobicContact CB-CZ 4.28Å; F53-F55 HydrophobicContact CD1-CE2 4.5Å; F53-F55 HydrophobicContact CD2-CE2 4.13Å; F53-F55 HydrophobicContact CG-CD2 4.32Å; F53-F55 AromaticContact CG-CE2 3.75Å; F53-F55 HydrophobicContact CG-CE2 3.75Å; F53-F55 PolarHBondContact O-N 3.04Å; F53-F55 VanDerWaalsContact O-N 3.1Å; F55-H57 PolarHBondContact O-N 3.45Å
56K97.4Very high94.2Very high91 Ų9168 Ų6840%0.39635%0.354SS..EExtended strand (participates in β ladder)trans-77.1106.8154-65171.8-167.4157.50107.6T37 H38 I39 Y58 E88T37-K56 PolarHBondContact O-N 3.47Å; H38-K56 VanDerWaalsContact CA-O 3.3Å; H38-K56 WeakPolarHBondContact CA-O 3.25Å; H38-K56 WeakPolarHBondContact CE1-CD 3.39Å; I39-K56 PolarHBondContact N-O 2.84Å; K56-Y58 HydrophobicContact CB-CE2 3.72Å; K56-Y58 WeakPolarHBondContact O-CD2 3.3Å; K56-Y58 VanDerWaalsContact O-CE2 3.27Å; K56-Y58 WeakPolarHBondContact O-CE2 3.22Å; K56-E88 IonicContact NZ-OE1 2.71Å; K56-E88 PolarHBondContact NZ-OE1 3.33Å; K56-E88 IonicContact NZ-OE2 2.77Å; K56-E88 PolarHBondContact NZ-OE2 2.8Å
57H97.9Very high93.9Very high63 Ų6367.5 Ų67.529%0.29235%0.353SS..EExtended strand (participates in β ladder)trans-94.1131.8-178.7179.5-132.1000111.4T41 I50 F55T41-H57 WeakPolarHBondContact CB-NE2 3.49Å; T41-H57 PolarHBondContact OG1-NE2 3.21Å; I50-H57 HydrophobicContact CG1-CB 4.17Å; F55-H57 PolarHBondContact O-N 3.45Å
58Y98.3Very high93.7Very high66 Ų6667.6 Ų67.626%0.25935%0.353SS..EExtended strand (participates in β ladder)trans-123.7113.6178.3-54.4-92.2000109.1H38 I39 I40 T41 K56 I79H38-Y58 HydrophobicContact CB-CE2 3.95Å; H38-Y58 PolarHBondContact CE1-OH 3.12Å; H38-Y58 AromaticContact CG-CE2 3.96Å; H38-Y58 AromaticContact ND1-CE2 3.28Å; H38-Y58 VanDerWaalsContact ND1-CE2 3.28Å; H38-Y58 WeakPolarHBondContact ND1-CE2 3.39Å; H38-Y58 AromaticContact ND1-CZ 3.6Å; H38-Y58 PolarHBondContact ND1-OH 3.49Å; H38-Y58 VanDerWaalsContact ND1-OH 3.08Å; I39-Y58 PolarHBondContact O-N 2.91Å; I40-Y58 WeakPolarHBondContact CA-O 3.46Å; I40-Y58 HydrophobicContact CG1-CD2 4.48Å; T41-Y58 PolarHBondContact N-O 2.75Å; K56-Y58 HydrophobicContact CB-CE2 3.72Å; K56-Y58 WeakPolarHBondContact O-CD2 3.3Å; K56-Y58 VanDerWaalsContact O-CE2 3.27Å; K56-Y58 WeakPolarHBondContact O-CE2 3.22Å; Y58-I79 HydrophobicContact CD1-CD1 3.4Å; Y58-I79 HydrophobicContact CD1-CG1 3.8Å; Y58-I79 HydrophobicContact CD1-CG2 4.39Å; Y58-I79 HydrophobicContact CD2-CD1 4.26Å; Y58-I79 HydrophobicContact CD2-CG2 3.79Å; Y58-I79 HydrophobicContact CE1-CD1 4.01Å; Y58-I79 HydrophobicContact CE1-CG1 3.85Å; Y58-I79 HydrophobicContact CE1-CG2 4.21Å; Y58-I79 HydrophobicContact CE2-CG2 3.62Å; Y58-I79 HydrophobicContact CG-CD1 3.54Å; Y58-I79 HydrophobicContact CG-CG1 4.19Å; Y58-I79 HydrophobicContact CG-CG2 4.18Å
59H97.8Very high93.7Very high80 Ų8063.8 Ų63.837%0.3734%0.342SS..EExtended strand (participates in β ladder)trans-96.7108178.5-170.7-158.3000110C43 H44 P61C43-H59 PolarHBondContact O-CD2 2.96Å; C43-H59 PolarHBondContact O-NE2 2.84Å; H44-H59 PolarHBondContact O-CE1 3.29Å; H44-H59 PolarHBondContact O-NE2 2.65Å; H44-H59 VanDerWaalsContact O-NE2 3.15Å; H59-P61 WeakPolarHBondContact O-CD 3.33Å
60L98Very high93.7Very high30 Ų3063.5 Ų63.516%0.15735%0.345CS..  trans-124.767.9-178-59.9-179000109I40 T41 L42 V62 V72 K75 A76 I79I40-L60 HydrophobicContact CG2-CD1 4Å; I40-L60 HydrophobicContact CG2-CG 4.45Å; T41-L60 CarbonylContact O-C 3.59Å; T41-L60 PolarHBondContact O-N 2.94Å; L42-L60 WeakPolarHBondContact CA-O 3.44Å; L42-L60 HydrophobicContact CD2-CB 4.17Å; L42-L60 WeakPolarHBondContact CD2-O 3.35Å; L60-V62 PolarHBondContact O-N 3.02Å; L60-V72 HydrophobicContact CB-CG1 4.23Å; L60-K75 HydrophobicContact CD1-CB 4.34Å; L60-K75 HydrophobicContact CD1-CG 4.16Å; L60-K75 HydrophobicContact CD2-CG 3.98Å; L60-A76 HydrophobicContact CD1-CB 4.04Å; L60-I79 HydrophobicContact CD1-CD1 4.1Å
61P97Very high93.8Very high56 Ų5666.8 Ų66.836%0.36437%0.367SS..  trans-61.8135.3-170.326.6-35.2000111.9H59H59-P61 WeakPolarHBondContact O-CD 3.33Å
62V95.1Very high93.9Very high10 Ų1063.5 Ų63.56%0.06134%0.343CS..  trans-128132.7173.7179.30000107.5L42 L60 A68 V72 R100L42-V62 HydrophobicContact CD2-CG2 4.34Å; L42-V62 PolarHBondContact O-N 2.95Å; L60-V62 PolarHBondContact O-N 3.02Å; V62-A68 HydrophobicContact CG1-CB 4.42Å; V62-A68 HydrophobicContact CG2-CB 4.01Å; V62-V72 HydrophobicContact CG2-CG1 3.86Å; V62-R100 HydrophobicContact CB-CG 4.13Å; V62-R100 HydrophobicContact CG1-CG 3.87Å; V62-R100 VanDerWaalsContact O-CD 3.3Å; V62-R100 WeakPolarHBondContact O-CD 3.38Å; V62-R100 PolarHBondContact O-NH1 2.65Å
63E91.5Very high94Very high115 Ų11559.6 Ų59.654%0.53732%0.322SS..  trans-54.7141.7-179.9-173.655.4-114.700110.7H44 T66H44-E63 IonicContact NE2-OE2 3.89Å; E63-T66 HydrophobicContact CB-CG2 3.87Å; E63-T66 HydrophobicContact CG-CG2 3.95Å; E63-T66 PolarHBondContact O-N 3.46Å; E63-T66 PolarHBondContact O-OG1 3.21Å
64D83.7Confident94.1Very high78 Ų7862 Ų6242%0.41733%0.334SS..THydrogen-bonded Turntrans-65.2146.6-175.8-157.613.1000111.4T66 R100D64-T66 PolarHBondContact O-N 2.92Å; D64-T66 VanDerWaalsContact O-N 3.13Å; D64-R100 IonicContact OD1-CZ 2.66Å; D64-R100 IonicContact OD1-NE 2.96Å; D64-R100 PolarHBondContact OD1-NE 3.24Å; D64-R100 IonicContact OD1-NH2 3.19Å; D64-R100 PolarHBondContact OD1-NH2 2.96Å; D64-R100 IonicContact OD2-NH2 3.69Å
65L82Confident94.4Very high126 Ų12660 Ų6066%0.6631%0.313SS*.THydrogen-bonded Turntrans5723.1-176.3-48.6177.4000114.3
66T88.2Confident94.6Very high52 Ų5258.9 Ų58.932%0.31931%0.309SS..SBendtrans-119.1162.1173.273.10000112.1E63 D64E63-T66 HydrophobicContact CB-CG2 3.87Å; E63-T66 HydrophobicContact CG-CG2 3.95Å; E63-T66 PolarHBondContact O-N 3.46Å; E63-T66 PolarHBondContact O-OG1 3.21Å; D64-T66 PolarHBondContact O-N 2.92Å; D64-T66 VanDerWaalsContact O-N 3.13Å
67S88.4Confident94.7Very high43 Ų4354.6 Ų54.630%0.30129%0.29SS..PPolyproline II helixtrans-80.8135.3176.5-43.40000111.2S69 D135 Q136S67-S69 PolarHBondContact O-N 2.85Å; S67-D135 PolarHBondContact OG-O 3.17Å; S67-Q136 VanDerWaalsContact OG-CA 3.28Å; S67-Q136 WeakPolarHBondContact OG-CA 3.27Å
68A93.4Very high94.7Very high3 Ų356.9 Ų56.93%0.02530%0.301CS..PPolyproline II helixtrans-59.9134.9171.500000110.3V62 V72 I73 I104V62-A68 HydrophobicContact CG1-CB 4.42Å; V62-A68 HydrophobicContact CG2-CB 4.01Å; A68-V72 HydrophobicContact CB-CG1 4.24Å; A68-I73 HydrophobicContact CB-CD1 4.25Å; A68-I73 HydrophobicContact CB-CG1 3.78Å; A68-I73 WeakPolarHBondContact O-CD1 3.5Å; A68-I104 HydrophobicContact CB-CD1 4.34Å
69S94.9Very high94.7Very high61 Ų6154.1 Ų54.143%0.42729%0.29SS..PPolyproline II helixtrans-67.9155175.669.70000110.9S67 P71 V72 I73S67-S69 PolarHBondContact O-N 2.85Å; S69-P71 VanDerWaalsContact C-N 3.33Å; S69-V72 PolarHBondContact O-N 3.37Å; S69-V72 WeakPolarHBondContact OG-CG2 3.48Å; S69-I73 WeakPolarHBondContact O-CG1 3.26Å; S69-I73 PolarHBondContact O-N 3.35Å
70L95.8Very high94.8Very high60 Ų6050.3 Ų50.331%0.31427%0.273SS..Hα-helixtrans-54.6-42.2179.7-17864.1000113V72 I73 Q74 Y143L70-V72 PolarHBondContact O-N 3.08Å; L70-I73 PolarHBondContact O-N 3.47Å; L70-Q74 HydrophobicContact CD1-CG 4.19Å; L70-Q74 HydrophobicContact CG-CG 4.32Å; L70-Q74 WeakPolarHBondContact O-CB 3.48Å; L70-Q74 VanDerWaalsContact O-CG 3.3Å; L70-Q74 WeakPolarHBondContact O-CG 3.47Å; L70-Q74 PolarHBondContact O-N 2.95Å; L70-Y143 HydrophobicContact CD1-CD2 4.15Å
71P96.8Very high94.8Very high87 Ų8751.8 Ų51.857%0.56528%0.278SS*.Hα-helixtrans-60.5-39.4174.5-26.236.3000114S69 Q74 K75S69-P71 VanDerWaalsContact C-N 3.33Å; P71-Q74 PolarHBondContact O-N 3.47Å; P71-K75 WeakPolarHBondContact O-CB 3.49Å; P71-K75 PolarHBondContact O-N 3.04Å
72V97.7Very high94.8Very high31 Ų3154.2 Ų54.219%0.18828%0.284CS..Hα-helixtrans-65.3-43.9176.7170.60000110.6L60 V62 A68 S69 L70 K75 A76L60-V72 HydrophobicContact CB-CG1 4.23Å; V62-V72 HydrophobicContact CG2-CG1 3.86Å; A68-V72 HydrophobicContact CB-CG1 4.24Å; S69-V72 PolarHBondContact O-N 3.37Å; S69-V72 WeakPolarHBondContact OG-CG2 3.48Å; L70-V72 PolarHBondContact O-N 3.08Å; V72-K75 PolarHBondContact O-N 2.82Å; V72-A76 WeakPolarHBondContact O-CB 3.15Å; V72-A76 PolarHBondContact O-N 3.32Å
73I98.2Very high95Very high1 Ų153.7 Ų53.71%0.00528%0.282CS..Hα-helixtrans-61-48.7176.2-62.8169.4000110.3A68 S69 L70 K75 A76 M77 T103 I104 C107 A139 Y143A68-I73 HydrophobicContact CB-CD1 4.25Å; A68-I73 HydrophobicContact CB-CG1 3.78Å; A68-I73 WeakPolarHBondContact O-CD1 3.5Å; S69-I73 WeakPolarHBondContact O-CG1 3.26Å; S69-I73 PolarHBondContact O-N 3.35Å; L70-I73 PolarHBondContact O-N 3.47Å; I73-K75 VanDerWaalsContact C-N 3.29Å; I73-K75 PolarHBondContact O-N 2.94Å; I73-A76 PolarHBondContact O-N 3.3Å; I73-M77 HydrophobicContact CG2-CG 4.24Å; I73-M77 WeakPolarHBondContact O-CB 3.29Å; I73-M77 VanDerWaalsContact O-CG 3.24Å; I73-M77 WeakPolarHBondContact O-CG 3.37Å; I73-M77 PolarHBondContact O-N 3Å; I73-T103 HydrophobicContact CD1-CG2 4.18Å; I73-I104 HydrophobicContact CB-CD1 4.26Å; I73-I104 HydrophobicContact CG1-CD1 3.84Å; I73-I104 HydrophobicContact CG2-CD1 4.45Å; I73-C107 HydrophobicContact CG2-CB 3.86Å; I73-C107 VanDerWaalsContact CG2-SG 3.6Å; I73-A139 HydrophobicContact CD1-CB 3.93Å; I73-Y143 HydrophobicContact CG2-CD2 3.51Å; I73-Y143 HydrophobicContact CG2-CE2 4.09Å; I73-Y143 HydrophobicContact CG2-CG 3.76Å
74Q97.8Very high95.3Very high91 Ų9150.5 Ų50.543%0.42527%0.266SS..Hα-helixtrans-58.5-41.9178.3-74.9172.1-2600111.4L70 P71 M77 E78L70-Q74 HydrophobicContact CD1-CG 4.19Å; L70-Q74 HydrophobicContact CG-CG 4.32Å; L70-Q74 WeakPolarHBondContact O-CB 3.48Å; L70-Q74 VanDerWaalsContact O-CG 3.3Å; L70-Q74 WeakPolarHBondContact O-CG 3.47Å; L70-Q74 PolarHBondContact O-N 2.95Å; P71-Q74 PolarHBondContact O-N 3.47Å; Q74-M77 PolarHBondContact O-N 3.27Å; Q74-E78 PolarHBondContact O-N 2.84Å
75K98.5Very high96Very high92 Ų9251.8 Ų51.840%0.428%0.278SS..Hα-helixtrans-65.4-44.9177-171.958178.2177.30112.6L60 P71 V72 I73 M77 E78 I79L60-K75 HydrophobicContact CD1-CB 4.34Å; L60-K75 HydrophobicContact CD1-CG 4.16Å; L60-K75 HydrophobicContact CD2-CG 3.98Å; P71-K75 WeakPolarHBondContact O-CB 3.49Å; P71-K75 PolarHBondContact O-N 3.04Å; V72-K75 PolarHBondContact O-N 2.82Å; I73-K75 VanDerWaalsContact C-N 3.29Å; I73-K75 PolarHBondContact O-N 2.94Å; K75-M77 VanDerWaalsContact C-N 3.29Å; K75-M77 PolarHBondContact O-N 3.31Å; K75-E78 VanDerWaalsContact CD-OE2 3.25Å; K75-E78 WeakPolarHBondContact CD-OE2 3.5Å; K75-E78 IonicContact NZ-OE1 2.7Å; K75-E78 IonicContact NZ-OE2 3.44Å; K75-E78 PolarHBondContact NZ-OE2 3.46Å; K75-E78 WeakPolarHBondContact O-CB 3.48Å; K75-E78 PolarHBondContact O-N 3.34Å; K75-I79 HydrophobicContact CG-CD1 4.35Å; K75-I79 WeakPolarHBondContact O-CD1 3.14Å; K75-I79 WeakPolarHBondContact O-CG1 3.29Å; K75-I79 PolarHBondContact O-N 3.42Å; K75-I79 VanDerWaalsContact O-N 3.13Å
76A98.6Very high96.7Very high0 Ų049.7 Ų49.70%027%0.267CS..Hα-helixtrans-61.1-40.8175.600000111.6I40 L60 V72 I73 I79 I80 I104I40-A76 HydrophobicContact CD1-CB 4.09Å; L60-A76 HydrophobicContact CD1-CB 4.04Å; V72-A76 WeakPolarHBondContact O-CB 3.15Å; V72-A76 PolarHBondContact O-N 3.32Å; I73-A76 PolarHBondContact O-N 3.3Å; A76-I79 PolarHBondContact O-N 2.85Å; A76-I80 VanDerWaalsContact O-CG1 3.3Å; A76-I80 WeakPolarHBondContact O-CG1 3Å; A76-I80 PolarHBondContact O-N 3.25Å; A76-I104 HydrophobicContact CB-CD1 3.96Å; A76-I104 HydrophobicContact CB-CG1 4.36Å; A76-I104 HydrophobicContact CB-CG2 3.83Å
77M98.5Very high97.2Very high2 Ų254.5 Ų54.51%0.0129%0.291CS..Hα-helixtrans-66.6-38.3176.9-73.4-57.5-57.100112.9I73 Q74 K75 I80 K81 C107 Y108 Y111 Y143I73-M77 HydrophobicContact CG2-CG 4.24Å; I73-M77 WeakPolarHBondContact O-CB 3.29Å; I73-M77 VanDerWaalsContact O-CG 3.24Å; I73-M77 WeakPolarHBondContact O-CG 3.37Å; I73-M77 PolarHBondContact O-N 3Å; Q74-M77 PolarHBondContact O-N 3.27Å; K75-M77 VanDerWaalsContact C-N 3.29Å; K75-M77 PolarHBondContact O-N 3.31Å; M77-I80 PolarHBondContact O-N 2.91Å; M77-I80 HydrophobicContact SD-CD1 4.31Å; M77-K81 WeakPolarHBondContact O-CB 3.18Å; M77-K81 VanDerWaalsContact O-CG 3.23Å; M77-K81 WeakPolarHBondContact O-CG 3.2Å; M77-K81 PolarHBondContact O-N 3.22Å; M77-C107 HydrophobicContact SD-CB 4.25Å; M77-Y108 HydrophobicContact CE-CD2 4.28Å; M77-Y108 VanDerWaalsContact SD-CA 3.6Å; M77-Y111 HydrophobicContact CE-CD1 3.93Å; M77-Y111 HydrophobicContact CE-CG 4.02Å; M77-Y143 HydrophobicContact CB-CE2 4.4Å; M77-Y143 WeakPolarHBondContact CE-OH 3.41Å; M77-Y143 HydrophobicContact CG-CE1 4.4Å; M77-Y143 HydrophobicContact CG-CE2 3.89Å
78E98.4Very high97.6Very high110 Ų11054.4 Ų54.451%0.51429%0.285SS..Hα-helixtrans-58.3-48.2172.5-173.2-166.3173.500110.9Q74 K75 I80 K81 Q82Q74-E78 PolarHBondContact O-N 2.84Å; K75-E78 VanDerWaalsContact CD-OE2 3.25Å; K75-E78 WeakPolarHBondContact CD-OE2 3.5Å; K75-E78 IonicContact NZ-OE1 2.7Å; K75-E78 IonicContact NZ-OE2 3.44Å; K75-E78 PolarHBondContact NZ-OE2 3.46Å; K75-E78 WeakPolarHBondContact O-CB 3.48Å; K75-E78 PolarHBondContact O-N 3.34Å; E78-I80 PolarHBondContact O-N 2.74Å; E78-K81 PolarHBondContact O-N 3.16Å; E78-Q82 WeakPolarHBondContact O-CB 3.26Å; E78-Q82 PolarHBondContact O-N 2.99Å
79I98.7Very high97.9Very high8 Ų857.7 Ų57.74%0.04130%0.299CS..Hα-helixtrans-59.4-47177.7-66.2157.8000110.8I40 Y58 L60 K75 A76 Q82 A83I40-I79 HydrophobicContact CD1-CB 4.19Å; I40-I79 HydrophobicContact CD1-CD1 4.38Å; I40-I79 HydrophobicContact CD1-CG2 3.99Å; I40-I79 HydrophobicContact CG1-CG2 4.25Å; Y58-I79 HydrophobicContact CD1-CD1 3.4Å; Y58-I79 HydrophobicContact CD1-CG1 3.8Å; Y58-I79 HydrophobicContact CD1-CG2 4.39Å; Y58-I79 HydrophobicContact CD2-CD1 4.26Å; Y58-I79 HydrophobicContact CD2-CG2 3.79Å; Y58-I79 HydrophobicContact CE1-CD1 4.01Å; Y58-I79 HydrophobicContact CE1-CG1 3.85Å; Y58-I79 HydrophobicContact CE1-CG2 4.21Å; Y58-I79 HydrophobicContact CE2-CG2 3.62Å; Y58-I79 HydrophobicContact CG-CD1 3.54Å; Y58-I79 HydrophobicContact CG-CG1 4.19Å; Y58-I79 HydrophobicContact CG-CG2 4.18Å; L60-I79 HydrophobicContact CD1-CD1 4.1Å; K75-I79 HydrophobicContact CG-CD1 4.35Å; K75-I79 WeakPolarHBondContact O-CD1 3.14Å; K75-I79 WeakPolarHBondContact O-CG1 3.29Å; K75-I79 PolarHBondContact O-N 3.42Å; K75-I79 VanDerWaalsContact O-N 3.13Å; A76-I79 PolarHBondContact O-N 2.85Å; I79-Q82 PolarHBondContact O-N 2.78Å; I79-A83 WeakPolarHBondContact O-CB 3.29Å; I79-A83 PolarHBondContact O-N 3.49Å
80I98.7Very high98.1Very high0 Ų054.8 Ų54.80%028%0.279CS..Hα-helixtrans-62.4-47.8-179.4-67.6163.6000111.1V15 I40 A76 M77 E78 Q82 A83 E84 V90 V92 I104 Y108V15-I80 HydrophobicContact CG2-CG2 3.72Å; I40-I80 HydrophobicContact CD1-CD1 4.43Å; I40-I80 HydrophobicContact CD1-CG1 4.14Å; A76-I80 VanDerWaalsContact O-CG1 3.3Å; A76-I80 WeakPolarHBondContact O-CG1 3Å; A76-I80 PolarHBondContact O-N 3.25Å; M77-I80 PolarHBondContact O-N 2.91Å; M77-I80 HydrophobicContact SD-CD1 4.31Å; E78-I80 PolarHBondContact O-N 2.74Å; I80-Q82 PolarHBondContact O-N 3.06Å; I80-A83 PolarHBondContact O-N 2.75Å; I80-E84 PolarHBondContact O-N 2.66Å; I80-V90 HydrophobicContact CG1-CB 4.37Å; I80-V90 HydrophobicContact CG1-CG1 4.01Å; I80-V90 HydrophobicContact CG1-CG2 4.43Å; I80-V92 HydrophobicContact CD1-CG2 4.35Å; I80-I104 HydrophobicContact CD1-CG2 3.97Å; I80-Y108 HydrophobicContact CG2-CD2 3.48Å; I80-Y108 VanDerWaalsContact CG2-CD2 3.48Å; I80-Y108 HydrophobicContact CG2-CE2 3.49Å; I80-Y108 VanDerWaalsContact CG2-CE2 3.49Å; I80-Y108 HydrophobicContact CG2-CG 4.42Å
81K98.2Very high98.2Very high62 Ų6251.9 Ų51.927%0.2726%0.264SS..Hα-helixtrans-62.8-41.8179.9-69.7175.1-168.7-164.40111.9M77 E78 E84 T85 Y111M77-K81 WeakPolarHBondContact O-CB 3.18Å; M77-K81 VanDerWaalsContact O-CG 3.23Å; M77-K81 WeakPolarHBondContact O-CG 3.2Å; M77-K81 PolarHBondContact O-N 3.22Å; E78-K81 PolarHBondContact O-N 3.16Å; K81-E84 PolarHBondContact O-N 3.2Å; K81-T85 WeakPolarHBondContact O-CB 3.32Å; K81-T85 PolarHBondContact O-N 3.46Å; K81-T85 PolarHBondContact O-OG1 2.88Å; K81-Y111 HydrophobicContact CD-CE1 3.88Å; K81-Y111 HydrophobicContact CD-CE2 4.48Å; K81-Y111 HydrophobicContact CG-CD1 4.44Å; K81-Y111 HydrophobicContact CG-CE1 3.82Å
82Q98.3Very high98.3Very high106 Ų10647.8 Ų47.850%0.49524%0.237SC..Hα-helixtrans-65.4-43177.9-175.958.862.200111.8E78 I79 I80 T85 N86E78-Q82 WeakPolarHBondContact O-CB 3.26Å; E78-Q82 PolarHBondContact O-N 2.99Å; I79-Q82 PolarHBondContact O-N 2.78Å; I80-Q82 PolarHBondContact O-N 3.06Å; Q82-T85 WeakPolarHBondContact O-CB 3.49Å; Q82-T85 PolarHBondContact O-N 3.3Å; Q82-N86 PolarHBondContact NE2-OD1 2.88Å; Q82-N86 PolarHBondContact O-N 3.09Å; Q82-N86 PolarHBondContact O-ND2 3.39Å
83A98.5Very high98.3Very high0 Ų046.3 Ų46.30%023%0.228CC..Hα-helixtrans-62.5-46.9175.800000111.3I79 I80 T85 N86 N87 E88 V90I79-A83 WeakPolarHBondContact O-CB 3.29Å; I79-A83 PolarHBondContact O-N 3.49Å; I80-A83 PolarHBondContact O-N 2.75Å; A83-T85 VanDerWaalsContact C-N 3.27Å; A83-T85 PolarHBondContact O-N 3.23Å; A83-N86 CarbonylContact O-C 3.58Å; A83-N86 WeakPolarHBondContact O-CA 3.49Å; A83-N86 PolarHBondContact O-N 2.86Å; A83-N87 PolarHBondContact O-N 3.36Å; A83-E88 HydrophobicContact CB-CB 3.97Å; A83-E88 WeakPolarHBondContact O-CA 3.41Å; A83-E88 WeakPolarHBondContact O-CB 3.37Å; A83-E88 PolarHBondContact O-N 3.45Å; A83-V90 HydrophobicContact CB-CG2 3.37Å
84E97.9Very high98.3Very high47 Ų4746.4 Ų46.422%0.2223%0.229CC..Hα-helixtrans-60.1-37.5176.7-75.5-167.5129.400112.5S14 I80 K81 N86 N87 Y108 K112S14-E84 PolarHBondContact OG-OE1 3.46Å; I80-E84 PolarHBondContact O-N 2.66Å; K81-E84 PolarHBondContact O-N 3.2Å; E84-N86 PolarHBondContact O-N 3.23Å; E84-N87 PolarHBondContact O-N 2.96Å; E84-Y108 PolarHBondContact OE1-OH 3.45Å; E84-Y108 WeakPolarHBondContact OE2-CE2 3.19Å; E84-K112 IonicContact OE1-NZ 2.84Å; E84-K112 PolarHBondContact OE1-NZ 3.4Å
85T97.7Very high98.2Very high106 Ų10644.8 Ų44.865%0.6522%0.221SC*.Hα-helixtrans-60.8-30.9175.7-57.90000112K81 Q82 A83K81-T85 WeakPolarHBondContact O-CB 3.32Å; K81-T85 PolarHBondContact O-N 3.46Å; K81-T85 PolarHBondContact O-OG1 2.88Å; Q82-T85 WeakPolarHBondContact O-CB 3.49Å; Q82-T85 PolarHBondContact O-N 3.3Å; A83-T85 VanDerWaalsContact C-N 3.27Å; A83-T85 PolarHBondContact O-N 3.23Å
86N97.8Very high98.1Very high81 Ų8145.6 Ų45.643%0.43323%0.23SC..THydrogen-bonded Turntrans-91.17.6176.5-63-23.5000113.6Q82 A83 E84 E88Q82-N86 PolarHBondContact NE2-OD1 2.88Å; Q82-N86 PolarHBondContact O-N 3.09Å; Q82-N86 PolarHBondContact O-ND2 3.39Å; A83-N86 CarbonylContact O-C 3.58Å; A83-N86 WeakPolarHBondContact O-CA 3.49Å; A83-N86 PolarHBondContact O-N 2.86Å; E84-N86 PolarHBondContact O-N 3.23Å; N86-E88 HydrophobicContact CB-CB 4.43Å; N86-E88 HydrophobicContact CB-CG 3.84Å; N86-E88 VanDerWaalsContact CB-OE2 3.26Å; N86-E88 WeakPolarHBondContact CB-OE2 3.46Å; N86-E88 PolarHBondContact ND2-OE2 2.82Å; N86-E88 PolarHBondContact O-N 3.08Å
87N97.7Very high98Very high154 Ų15445.6 Ų45.682%0.82423%0.23SC*.THydrogen-bonded Turntrans57.128.5-170.4-58.6-72.3000113.9A83 E84A83-N87 PolarHBondContact O-N 3.36Å; E84-N87 PolarHBondContact O-N 2.96Å
88E98.4Very high97.8Very high40 Ų4050.1 Ų50.119%0.18725%0.246CC..  trans-91.1159.7177.8-71.1175.8129.100110.9T37 H38 K56 A83 N86T37-E88 VanDerWaalsContact OG1-CB 3.3Å; T37-E88 WeakPolarHBondContact OG1-CB 3.37Å; H38-E88 IonicContact CE1-OE2 2.75Å; H38-E88 IonicContact NE2-OE1 3.06Å; H38-E88 IonicContact NE2-OE2 3.36Å; H38-E88 PolarHBondContact NE2-OE2 3.29Å; K56-E88 IonicContact NZ-OE1 2.71Å; K56-E88 PolarHBondContact NZ-OE1 3.33Å; K56-E88 IonicContact NZ-OE2 2.77Å; K56-E88 PolarHBondContact NZ-OE2 2.8Å; A83-E88 HydrophobicContact CB-CB 3.97Å; A83-E88 WeakPolarHBondContact O-CA 3.41Å; A83-E88 WeakPolarHBondContact O-CB 3.37Å; A83-E88 PolarHBondContact O-N 3.45Å; N86-E88 HydrophobicContact CB-CB 4.43Å; N86-E88 HydrophobicContact CB-CG 3.84Å; N86-E88 VanDerWaalsContact CB-OE2 3.26Å; N86-E88 WeakPolarHBondContact CB-OE2 3.46Å; N86-E88 PolarHBondContact ND2-OE2 2.82Å; N86-E88 PolarHBondContact O-N 3.08Å
89K98.6Very high97.7Very high72 Ų7245.2 Ų45.231%0.31323%0.226SC..  trans-113.8141.7-179.5-57.5-170.9-170.71710112W10 S14 A34 G35 I36 T37 H38W10-K89 HydrophobicContact CH2-CB 4.33Å; W10-K89 HydrophobicContact CH2-CD 3.51Å; W10-K89 HydrophobicContact CH2-CG 4.49Å; W10-K89 HydrophobicContact CZ2-CD 4.33Å; W10-K89 HydrophobicContact CZ3-CB 4.46Å; W10-K89 HydrophobicContact CZ3-CD 4.01Å; S14-K89 CarbonylContact O-C 3.51Å; S14-K89 VanDerWaalsContact O-CA 3.23Å; S14-K89 WeakPolarHBondContact O-CA 3.3Å; S14-K89 WeakPolarHBondContact O-CB 3.09Å; A34-K89 WeakPolarHBondContact O-CD 3.45Å; A34-K89 PolarHBondContact O-NZ 3.34Å; G35-K89 WeakPolarHBondContact O-CB 3.43Å; I36-K89 HydrophobicContact CG1-CB 4.4Å; T37-K89 PolarHBondContact N-O 3.2Å; T37-K89 PolarHBondContact OG1-N 2.93Å; T37-K89 PolarHBondContact OG1-O 3.43Å; H38-K89 PolarHBondContact N-O 2.89Å; H38-K89 VanDerWaalsContact N-O 3.08Å
90V98.8Very high97.6Very high0 Ų045.3 Ų45.30%023%0.225CC..EExtended strand (participates in β ladder)trans-118130.8-174-1700000111.6S14 V15 A16 H38 I40 I80 A83 V92S14-V90 PolarHBondContact O-N 2.93Å; V15-V90 WeakPolarHBondContact CA-O 3.11Å; A16-V90 PolarHBondContact N-O 2.96Å; H38-V90 HydrophobicContact CB-CB 4.37Å; H38-V90 HydrophobicContact CB-CG1 4.13Å; H38-V90 HydrophobicContact CB-CG2 4.03Å; H38-V90 WeakPolarHBondContact O-CA 3.46Å; I40-V90 HydrophobicContact CD1-CG1 4.01Å; I40-V90 HydrophobicContact CG1-CG1 4.12Å; I80-V90 HydrophobicContact CG1-CB 4.37Å; I80-V90 HydrophobicContact CG1-CG1 4.01Å; I80-V90 HydrophobicContact CG1-CG2 4.43Å; A83-V90 HydrophobicContact CB-CG2 3.37Å; V90-V92 HydrophobicContact CG1-CG2 4.32Å
91G98.7Very high97.5Very high0 Ų045.3 Ų45.30%023%0.225CC..EExtended strand (participates in β ladder)trans-101.5129.1167.700000111.6F18 H38 I39 I40F18-G91 VanDerWaalsContact CE1-CA 3.44Å; H38-G91 PolarHBondContact O-N 3.47Å; I39-G91 CarbonylContact C-O 3.5Å; I39-G91 WeakPolarHBondContact CA-O 3.3Å; I40-G91 PolarHBondContact N-O 3.32Å
92V98.7Very high97.5Very high0 Ų042.3 Ų42.30%021%0.213CC..EExtended strand (participates in β ladder)trans-116.1127.9174.2-171.90000109.4A16 G17 F18 I40 L42 I80 V90 A101 I104 L105A16-V92 PolarHBondContact O-N 3.43Å; G17-V92 VanDerWaalsContact CA-O 3.32Å; G17-V92 WeakPolarHBondContact CA-O 3.36Å; F18-V92 PolarHBondContact N-O 3.18Å; F18-V92 VanDerWaalsContact N-O 3.13Å; I40-V92 HydrophobicContact CB-CG1 4.41Å; I40-V92 HydrophobicContact CB-CG2 4.4Å; I40-V92 HydrophobicContact CD1-CG2 4.25Å; L42-V92 HydrophobicContact CD1-CG1 4.02Å; I80-V92 HydrophobicContact CD1-CG2 4.35Å; V90-V92 HydrophobicContact CG1-CG2 4.32Å; V92-A101 HydrophobicContact CG1-CB 4.24Å; V92-I104 HydrophobicContact CG1-CB 4.11Å; V92-I104 HydrophobicContact CG1-CG1 4.44Å; V92-I104 HydrophobicContact CG1-CG2 4.14Å; V92-I104 HydrophobicContact CG2-CG2 4.35Å; V92-L105 HydrophobicContact CB-CD2 4.27Å; V92-L105 HydrophobicContact CG2-CD2 4.23Å
93H98.3Very high97.5Very high0 Ų037.3 Ų37.30%019%0.189CC..EExtended strand (participates in β ladder)trans-139156.8178.281.194.7000113.7F18 F20 I40 T41 L42F18-H93 HydrophobicContact CD2-CB 3.52Å; F18-H93 HydrophobicContact CE2-CB 3.52Å; F18-H93 AromaticContact CE2-CD2 3.75Å; F18-H93 AromaticContact CE2-CG 3.77Å; F18-H93 HydrophobicContact CG-CB 4.11Å; F18-H93 HydrophobicContact CZ-CB 4.15Å; F18-H93 VanDerWaalsContact O-CA 3.29Å; F18-H93 WeakPolarHBondContact O-CA 3.43Å; F18-H93 WeakPolarHBondContact O-CB 3.36Å; F20-H93 AromaticContact CD2-CE1 3.69Å; F20-H93 AromaticContact CD2-ND1 3.98Å; I40-H93 PolarHBondContact O-CD2 3.38Å; I40-H93 PolarHBondContact O-N 3.44Å; T41-H93 WeakPolarHBondContact CB-NE2 3.37Å; T41-H93 PolarHBondContact OG1-NE2 3.48Å; L42-H93 WeakPolarHBondContact CB-O 3.43Å; L42-H93 WeakPolarHBondContact CG-O 3.24Å; L42-H93 PolarHBondContact N-O 3.45Å
94C96.6Very high97.5Very high4 Ų437.3 Ų37.33%0.02719%0.189CC..  trans-133.1-152.3164.665.50000107.7A19 F20 L42 G97 R100 A101A19-C94 CarbonylContact C-O 3.49Å; F20-C94 WeakPolarHBondContact CA-O 3.44Å; F20-C94 PolarHBondContact N-O 2.93Å; L42-C94 HydrophobicContact CB-CB 4.15Å; C94-G97 PolarHBondContact SG-N 3.42Å; C94-R100 HydrophobicContact CB-CB 3.78Å; C94-A101 HydrophobicContact CB-CB 4.18Å
95Q96.6Very high97.5Very high57 Ų5735 Ų3527%0.26618%0.179SC..SBendtrans-67.1-52.8-179.1-167.968-5.300112.2A19 F20 C43A19-Q95 WeakPolarHBondContact CB-O 3.46Å; F20-Q95 PolarHBondContact N-O 3.13Å; C43-Q95 PolarHBondContact SG-N 2.82Å
96L96.2Very high97.5Very high109 Ų10930 Ų3057%0.57115%0.148SC*.SBendtrans-104.1-6.5-177.7-58.9-179.6000113.6N7 R98N7-L96 PolarHBondContact ND2-O 3.02Å; L96-R98 VanDerWaalsContact C-N 3.3Å; L96-R98 HydrophobicContact CB-CB 4.48Å; L96-R98 HydrophobicContact CB-CG 4.35Å; L96-R98 PolarHBondContact O-N 3.31Å
97G95.9Very high97.6Very high0 Ų026.1 Ų26.10%013%0.127CC..SBendtrans67.528.6-17500000114N7 F18 C94 R128N7-G97 PolarHBondContact ND2-O 3.48Å; F18-G97 WeakPolarHBondContact O-CA 3.39Å; C94-G97 PolarHBondContact SG-N 3.42Å; G97-R128 PolarHBondContact O-NH2 3.14Å
98R95.5Very high97.6Very high96 Ų9618.8 Ų18.836%0.3629%0.088SC..SBendtrans-118.3-67.5-173.2-72-176.2-176.9170.26.2113.6L96 G102 K130 I132L96-R98 VanDerWaalsContact C-N 3.3Å; L96-R98 HydrophobicContact CB-CB 4.48Å; L96-R98 HydrophobicContact CB-CG 4.35Å; L96-R98 PolarHBondContact O-N 3.31Å; R98-G102 WeakPolarHBondContact O-CA 3.11Å; R98-G102 PolarHBondContact O-N 3.28Å; R98-G102 VanDerWaalsContact O-N 3.09Å; R98-K130 WeakPolarHBondContact CD-O 3.44Å; R98-I132 PolarHBondContact O-N 3.37Å; R98-I132 VanDerWaalsContact O-N 3.16Å
99G95.3Very high97.6Very high8 Ų817 Ų178%0.0828%0.08CC..SBendtrans-74-91.4-173.100000112.7A101 G102 T103 Q136G99-A101 VanDerWaalsContact C-N 3.31Å; G99-A101 PolarHBondContact O-N 3.06Å; G99-A101 VanDerWaalsContact O-N 3.15Å; G99-G102 CarbonylContact O-C 3.54Å; G99-G102 VanDerWaalsContact O-CA 3.29Å; G99-G102 WeakPolarHBondContact O-CA 3.46Å; G99-G102 PolarHBondContact O-N 2.7Å; G99-T103 PolarHBondContact O-N 3.44Å; G99-T103 PolarHBondContact O-OG1 3.36Å; G99-Q136 PolarHBondContact O-OE1 2.96Å
100R96.4Very high97.6Very high9 Ų913.7 Ų13.73%0.0347%0.065CC..Hα-helixtrans-41-52.2175.2-66.9171.2-78.7174.7-1.5114.3L42 V62 D64 C94 T103 I104L42-R100 HydrophobicContact CB-CB 4.27Å; L42-R100 VanDerWaalsContact CD1-C 3.44Å; L42-R100 HydrophobicContact CD1-CB 3.92Å; L42-R100 WeakPolarHBondContact CD1-O 3.39Å; L42-R100 PolarHBondContact O-NH1 2.93Å; V62-R100 HydrophobicContact CB-CG 4.13Å; V62-R100 HydrophobicContact CG1-CG 3.87Å; V62-R100 VanDerWaalsContact O-CD 3.3Å; V62-R100 WeakPolarHBondContact O-CD 3.38Å; V62-R100 PolarHBondContact O-NH1 2.65Å; D64-R100 IonicContact OD1-CZ 2.66Å; D64-R100 IonicContact OD1-NE 2.96Å; D64-R100 PolarHBondContact OD1-NE 3.24Å; D64-R100 IonicContact OD1-NH2 3.19Å; D64-R100 PolarHBondContact OD1-NH2 2.96Å; D64-R100 IonicContact OD2-NH2 3.69Å; C94-R100 HydrophobicContact CB-CB 3.78Å; R100-T103 WeakPolarHBondContact O-CB 3.21Å; R100-T103 PolarHBondContact O-N 3.35Å; R100-I104 PolarHBondContact O-N 3.37Å
101A97.6Very high97.5Very high0 Ų018.6 Ų18.60%08%0.084CC..Hα-helixtrans-65.4-40.8177.800000112L42 V92 C94 G99 T103 I104 L105L42-A101 HydrophobicContact CD1-CB 4.27Å; V92-A101 HydrophobicContact CG1-CB 4.24Å; C94-A101 HydrophobicContact CB-CB 4.18Å; G99-A101 VanDerWaalsContact C-N 3.31Å; G99-A101 PolarHBondContact O-N 3.06Å; G99-A101 VanDerWaalsContact O-N 3.15Å; A101-T103 VanDerWaalsContact C-N 3.33Å; A101-T103 PolarHBondContact O-N 3.01Å; A101-I104 PolarHBondContact O-N 2.95Å; A101-L105 WeakPolarHBondContact O-CG 3.46Å; A101-L105 PolarHBondContact O-N 3.15Å
102G97.8Very high97.4Very high0 Ų022.6 Ų22.60%010%0.102CC..Hα-helixtrans-59.9-41.9175.100000112.3R98 G99 I104 L105 A106 L124 I132R98-G102 WeakPolarHBondContact O-CA 3.11Å; R98-G102 PolarHBondContact O-N 3.28Å; R98-G102 VanDerWaalsContact O-N 3.09Å; G99-G102 CarbonylContact O-C 3.54Å; G99-G102 VanDerWaalsContact O-CA 3.29Å; G99-G102 WeakPolarHBondContact O-CA 3.46Å; G99-G102 PolarHBondContact O-N 2.7Å; G102-I104 VanDerWaalsContact C-N 3.31Å; G102-I104 PolarHBondContact O-N 2.89Å; G102-L105 CarbonylContact O-C 3.58Å; G102-L105 PolarHBondContact O-N 2.82Å; G102-L105 VanDerWaalsContact O-N 3.08Å; G102-A106 PolarHBondContact O-N 2.88Å; G102-L124 WeakPolarHBondContact O-CD2 3.46Å; G102-I132 VanDerWaalsContact C-CG1 3.47Å
103T97.8Very high97.4Very high0 Ų026.4 Ų26.40%012%0.122CC..Hα-helixtrans-54.6-47.6177-49.80000111.4I73 G99 R100 A101 A106 C107 A139 V140I73-T103 HydrophobicContact CD1-CG2 4.18Å; G99-T103 PolarHBondContact O-N 3.44Å; G99-T103 PolarHBondContact O-OG1 3.36Å; R100-T103 WeakPolarHBondContact O-CB 3.21Å; R100-T103 PolarHBondContact O-N 3.35Å; A101-T103 VanDerWaalsContact C-N 3.33Å; A101-T103 PolarHBondContact O-N 3.01Å; T103-A106 PolarHBondContact O-N 3.03Å; T103-C107 PolarHBondContact O-N 3.34Å; T103-C107 PolarHBondContact O-SG 2.93Å; T103-A139 HydrophobicContact CG2-CB 3.88Å; T103-V140 HydrophobicContact CG2-CG2 4.04Å
104I98.4Very high97.3Very high0 Ų032.8 Ų32.80%016%0.156CC..Hα-helixtrans-63.4-45.2176.4-57.5-52.9000111.1L42 A68 I73 A76 I80 V92 R100 A101 G102 A106 C107 Y108L42-I104 HydrophobicContact CD1-CG1 3.83Å; L42-I104 HydrophobicContact CD2-CG1 4.38Å; A68-I104 HydrophobicContact CB-CD1 4.34Å; I73-I104 HydrophobicContact CB-CD1 4.26Å; I73-I104 HydrophobicContact CG1-CD1 3.84Å; I73-I104 HydrophobicContact CG2-CD1 4.45Å; A76-I104 HydrophobicContact CB-CD1 3.96Å; A76-I104 HydrophobicContact CB-CG1 4.36Å; A76-I104 HydrophobicContact CB-CG2 3.83Å; I80-I104 HydrophobicContact CD1-CG2 3.97Å; V92-I104 HydrophobicContact CG1-CB 4.11Å; V92-I104 HydrophobicContact CG1-CG1 4.44Å; V92-I104 HydrophobicContact CG1-CG2 4.14Å; V92-I104 HydrophobicContact CG2-CG2 4.35Å; R100-I104 PolarHBondContact O-N 3.37Å; A101-I104 PolarHBondContact O-N 2.95Å; G102-I104 VanDerWaalsContact C-N 3.31Å; G102-I104 PolarHBondContact O-N 2.89Å; I104-A106 PolarHBondContact O-N 3.27Å; I104-C107 WeakPolarHBondContact O-CB 3.28Å; I104-C107 PolarHBondContact O-N 3.31Å; I104-Y108 WeakPolarHBondContact O-CB 3.33Å; I104-Y108 PolarHBondContact O-N 3.16Å
105L98.6Very high97.3Very high0 Ų034.4 Ų34.40%017%0.165CC..Hα-helixtrans-65.1-36.2-178.9-64.2168.1000112.4V11 V15 V92 A101 G102 Y108 L109 L124V11-L105 HydrophobicContact CG1-CD1 4.34Å; V11-L105 HydrophobicContact CG1-CD2 4.42Å; V11-L105 HydrophobicContact CG2-CD2 3.81Å; V15-L105 HydrophobicContact CG1-CD2 3.64Å; V92-L105 HydrophobicContact CB-CD2 4.27Å; V92-L105 HydrophobicContact CG2-CD2 4.23Å; A101-L105 WeakPolarHBondContact O-CG 3.46Å; A101-L105 PolarHBondContact O-N 3.15Å; G102-L105 CarbonylContact O-C 3.58Å; G102-L105 PolarHBondContact O-N 2.82Å; G102-L105 VanDerWaalsContact O-N 3.08Å; L105-Y108 WeakPolarHBondContact O-CB 3.3Å; L105-Y108 PolarHBondContact O-N 3.4Å; L105-L109 WeakPolarHBondContact O-CG 3.38Å; L105-L109 PolarHBondContact O-N 3.39Å; L105-L124 HydrophobicContact CB-CD1 3.75Å; L105-L124 HydrophobicContact CB-CD2 4.21Å; L105-L124 HydrophobicContact CD1-CD1 4.45Å
106A98.4Very high97.3Very high0 Ų034.5 Ų34.50%017%0.167CC..Hα-helixtrans-69.5-42.117400000111.5G102 T103 I104 Y108 L109 A110 A120 I121 L124 I132 V140G102-A106 PolarHBondContact O-N 2.88Å; T103-A106 PolarHBondContact O-N 3.03Å; I104-A106 PolarHBondContact O-N 3.27Å; A106-Y108 PolarHBondContact O-N 3.4Å; A106-L109 PolarHBondContact O-N 2.97Å; A106-A110 WeakPolarHBondContact O-CB 3.37Å; A106-A110 PolarHBondContact O-N 3.43Å; A106-A120 WeakPolarHBondContact O-CB 3.35Å; A106-I121 HydrophobicContact CB-CG1 4.35Å; A106-L124 HydrophobicContact CB-CB 4.43Å; A106-L124 HydrophobicContact CB-CD2 3.84Å; A106-I132 HydrophobicContact CB-CD1 3.41Å; A106-I132 VanDerWaalsContact CB-CD1 3.41Å; A106-V140 HydrophobicContact CB-CG1 4.12Å; A106-V140 HydrophobicContact CB-CG2 3.95Å
107C98.4Very high97.4Very high0 Ų029.7 Ų29.70%014%0.143CC..Hα-helixtrans-57.6-40.5173-67.50000111.3I73 M77 T103 I104 A110 Y111 Y143I73-C107 HydrophobicContact CG2-CB 3.86Å; I73-C107 VanDerWaalsContact CG2-SG 3.6Å; M77-C107 HydrophobicContact SD-CB 4.25Å; T103-C107 PolarHBondContact O-N 3.34Å; T103-C107 PolarHBondContact O-SG 2.93Å; I104-C107 WeakPolarHBondContact O-CB 3.28Å; I104-C107 PolarHBondContact O-N 3.31Å; C107-A110 PolarHBondContact O-N 2.96Å; C107-Y111 PolarHBondContact O-N 3.31Å; C107-Y143 HydrophobicContact CB-CD1 3.43Å; C107-Y143 VanDerWaalsContact CB-CD1 3.43Å; C107-Y143 HydrophobicContact CB-CE1 3.75Å; C107-Y143 HydrophobicContact CB-CG 3.97Å; C107-Y143 WeakPolarHBondContact O-CE1 3.45Å
108Y98.6Very high97.5Very high0 Ų033.9 Ų33.90%017%0.165CC..Hα-helixtrans-63-48.3174.6167.3-103.4000113V11 S12 V15 M77 I80 E84 I104 L105 A106 A110 Y111 K112V11-Y108 HydrophobicContact CG2-CD1 4.08Å; V11-Y108 HydrophobicContact CG2-CE1 4.06Å; S12-Y108 WeakPolarHBondContact CB-OH 3.37Å; S12-Y108 PolarHBondContact OG-OH 2.89Å; V15-Y108 HydrophobicContact CB-CD1 4.27Å; V15-Y108 HydrophobicContact CB-CE1 3.73Å; V15-Y108 HydrophobicContact CG1-CD1 4.2Å; V15-Y108 HydrophobicContact CG1-CE1 4.17Å; V15-Y108 HydrophobicContact CG2-CD1 4.41Å; V15-Y108 HydrophobicContact CG2-CD2 4.39Å; V15-Y108 HydrophobicContact CG2-CE1 3.79Å; V15-Y108 HydrophobicContact CG2-CE2 3.76Å; V15-Y108 WeakPolarHBondContact CG2-OH 3.44Å; M77-Y108 HydrophobicContact CE-CD2 4.28Å; M77-Y108 VanDerWaalsContact SD-CA 3.6Å; I80-Y108 HydrophobicContact CG2-CD2 3.48Å; I80-Y108 VanDerWaalsContact CG2-CD2 3.48Å; I80-Y108 HydrophobicContact CG2-CE2 3.49Å; I80-Y108 VanDerWaalsContact CG2-CE2 3.49Å; I80-Y108 HydrophobicContact CG2-CG 4.42Å; E84-Y108 PolarHBondContact OE1-OH 3.45Å; E84-Y108 WeakPolarHBondContact OE2-CE2 3.19Å; I104-Y108 WeakPolarHBondContact O-CB 3.33Å; I104-Y108 PolarHBondContact O-N 3.16Å; L105-Y108 WeakPolarHBondContact O-CB 3.3Å; L105-Y108 PolarHBondContact O-N 3.4Å; A106-Y108 PolarHBondContact O-N 3.4Å; Y108-A110 VanDerWaalsContact C-N 3.31Å; Y108-A110 PolarHBondContact O-N 2.83Å; Y108-Y111 PolarHBondContact O-N 3.39Å; Y108-K112 HydrophobicContact CE1-CD 3.89Å; Y108-K112 HydrophobicContact CE2-CB 4.37Å; Y108-K112 HydrophobicContact CE2-CD 3.89Å; Y108-K112 VanDerWaalsContact O-CB 3.25Å; Y108-K112 WeakPolarHBondContact O-CB 3.41Å; Y108-K112 PolarHBondContact O-N 2.97Å; Y108-K112 WeakPolarHBondContact OH-CD 3.35Å; Y108-K112 PolarHBondContact OH-NZ 2.85Å
109L98.4Very high97.6Very high3 Ų333.7 Ų33.72%0.01617%0.169CC..Hα-helixtrans-62.4-39176.9-71.2171.6000111.9V11 L105 A106 K112 N113 E123 L124 L127V11-L109 HydrophobicContact CB-CD2 4.48Å; L105-L109 WeakPolarHBondContact O-CG 3.38Å; L105-L109 PolarHBondContact O-N 3.39Å; A106-L109 PolarHBondContact O-N 2.97Å; L109-K112 PolarHBondContact O-N 3.45Å; L109-N113 WeakPolarHBondContact O-CB 3.28Å; L109-N113 PolarHBondContact O-N 3.13Å; L109-E123 HydrophobicContact CD1-CG 4.29Å; L109-L124 HydrophobicContact CD1-CB 3.89Å; L109-L124 HydrophobicContact CD1-CD1 4.02Å; L109-L127 HydrophobicContact CD1-CD1 4.19Å
110A98.1Very high97.7Very high1 Ų133.3 Ų33.31%0.00817%0.165CC..Hα-helixtrans-59.2-49.6175.600000111.6A106 C107 Y108 N114 L115 A120 V144A106-A110 WeakPolarHBondContact O-CB 3.37Å; A106-A110 PolarHBondContact O-N 3.43Å; C107-A110 PolarHBondContact O-N 2.96Å; Y108-A110 VanDerWaalsContact C-N 3.31Å; Y108-A110 PolarHBondContact O-N 2.83Å; A110-N114 CarbonylContact O-C 3.59Å; A110-N114 VanDerWaalsContact O-CA 3.29Å; A110-N114 WeakPolarHBondContact O-CA 3.48Å; A110-N114 PolarHBondContact O-N 3.46Å; A110-L115 PolarHBondContact O-N 3.08Å; A110-A120 HydrophobicContact CB-CB 3.56Å; A110-V144 HydrophobicContact CB-CG2 3.52Å
111Y97.7Very high97.8Very high103 Ų10333 Ų3340%0.40416%0.164SC..Hα-helixtrans-63.3-50.3176.5168.9-103000112.1M77 K81 C107 Y108 N113 I147M77-Y111 HydrophobicContact CE-CD1 3.93Å; M77-Y111 HydrophobicContact CE-CG 4.02Å; K81-Y111 HydrophobicContact CD-CE1 3.88Å; K81-Y111 HydrophobicContact CD-CE2 4.48Å; K81-Y111 HydrophobicContact CG-CD1 4.44Å; K81-Y111 HydrophobicContact CG-CE1 3.82Å; C107-Y111 PolarHBondContact O-N 3.31Å; Y108-Y111 PolarHBondContact O-N 3.39Å; Y111-N113 PolarHBondContact O-N 2.98Å; Y111-I147 HydrophobicContact CD2-CD1 4.48Å
112K97.1Very high97.8Very high84 Ų8439.4 Ų39.437%0.36520%0.195SC..Hα-helixtrans-67.1-37.7-172.1-179.9162.4-177.5155.90113.2E84 Y108 L109E84-K112 IonicContact OE1-NZ 2.84Å; E84-K112 PolarHBondContact OE1-NZ 3.4Å; Y108-K112 HydrophobicContact CE1-CD 3.89Å; Y108-K112 HydrophobicContact CE2-CB 4.37Å; Y108-K112 HydrophobicContact CE2-CD 3.89Å; Y108-K112 VanDerWaalsContact O-CB 3.25Å; Y108-K112 WeakPolarHBondContact O-CB 3.41Å; Y108-K112 PolarHBondContact O-N 2.97Å; Y108-K112 WeakPolarHBondContact OH-CD 3.35Å; Y108-K112 PolarHBondContact OH-NZ 2.85Å; L109-K112 PolarHBondContact O-N 3.45Å
113N96.8Very high97.8Very high80 Ų8042 Ų4243%0.42821%0.207SC..Hα-helixtrans-1066.9-174.8-62-18.9000112.7L109 Y111 L115L109-N113 WeakPolarHBondContact O-CB 3.28Å; L109-N113 PolarHBondContact O-N 3.13Å; Y111-N113 PolarHBondContact O-N 2.98Å; N113-L115 VanDerWaalsContact C-N 3.29Å; N113-L115 HydrophobicContact CB-CD1 3.86Å; N113-L115 HydrophobicContact CB-CD2 4.34Å; N113-L115 HydrophobicContact CB-CG 3.72Å; N113-L115 PolarHBondContact O-N 3.23Å
114N96.3Very high97.8Very high135 Ų13542 Ų4272%0.72221%0.207SC*.THydrogen-bonded Turntrans52.344.4-176.2-168.938.6000113.2A110A110-N114 CarbonylContact O-C 3.59Å; A110-N114 VanDerWaalsContact O-CA 3.29Å; A110-N114 WeakPolarHBondContact O-CA 3.48Å; A110-N114 PolarHBondContact O-N 3.46Å
115L97.4Very high97.8Very high38 Ų3846 Ų4620%0.19922%0.222CC..  trans-91.9154.3-179.1-58173.4000110.8A110 N113 Q119 A120 E123A110-L115 PolarHBondContact O-N 3.08Å; N113-L115 VanDerWaalsContact C-N 3.29Å; N113-L115 HydrophobicContact CB-CD1 3.86Å; N113-L115 HydrophobicContact CB-CD2 4.34Å; N113-L115 HydrophobicContact CB-CG 3.72Å; N113-L115 PolarHBondContact O-N 3.23Å; L115-Q119 HydrophobicContact CB-CB 3.82Å; L115-Q119 HydrophobicContact CD1-CB 4.4Å; L115-Q119 HydrophobicContact CD2-CB 4.14Å; L115-Q119 HydrophobicContact CG-CB 4.32Å; L115-A120 HydrophobicContact CB-CB 4.22Å; L115-A120 HydrophobicContact CD1-CB 4.41Å; L115-E123 HydrophobicContact CD1-CB 4.4Å
116D97.6Very high97.7Very high59 Ų5953.8 Ų53.832%0.31625%0.252SS..  trans-69.6172.8158.868.248000111.4D118 Q119 A120D116-D118 PolarHBondContact O-N 3.5Å; D116-D118 PolarHBondContact OD1-N 3Å; D116-Q119 WeakPolarHBondContact OD1-CB 3.48Å; D116-Q119 VanDerWaalsContact OD1-CG 3.28Å; D116-Q119 WeakPolarHBondContact OD1-CG 3.4Å; D116-Q119 PolarHBondContact OD1-N 3.14Å; D116-Q119 VanDerWaalsContact OD2-CD 3.25Å; D116-Q119 PolarHBondContact OD2-OE1 2.76Å; D116-A120 WeakPolarHBondContact O-CB 3.48Å; D116-A120 PolarHBondContact O-N 2.87Å
117A97.4Very high97.7Very high8 Ų856.3 Ų56.37%0.06627%0.265CS..Hα-helixtrans-64.1-40.8-175.500000112.4A120 I121 V140 R141 V144A117-A120 PolarHBondContact O-N 3.12Å; A117-I121 WeakPolarHBondContact O-CB 3.39Å; A117-I121 VanDerWaalsContact O-CD1 3.32Å; A117-I121 WeakPolarHBondContact O-CD1 3.37Å; A117-I121 WeakPolarHBondContact O-CG1 3.37Å; A117-I121 PolarHBondContact O-N 3.44Å; A117-V140 HydrophobicContact CB-CG1 4.04Å; A117-R141 HydrophobicContact CB-CB 4.23Å; A117-R141 HydrophobicContact CB-CG 3.49Å; A117-R141 VanDerWaalsContact CB-CG 3.49Å; A117-V144 HydrophobicContact CB-CB 4.33Å; A117-V144 HydrophobicContact CB-CG2 4.07Å
118D97.2Very high97.6Very high87 Ų8756.5 Ų56.547%0.46527%0.265SS..Hα-helixtrans-68.9-43.3-177.2-64.6-27.2000110.6D116 A120 I121 M122 R141D116-D118 PolarHBondContact O-N 3.5Å; D116-D118 PolarHBondContact OD1-N 3Å; D118-A120 PolarHBondContact O-N 3.32Å; D118-I121 PolarHBondContact O-N 2.93Å; D118-M122 VanDerWaalsContact O-CB 3.27Å; D118-M122 WeakPolarHBondContact O-CB 3.43Å; D118-M122 PolarHBondContact O-N 2.93Å; D118-R141 IonicContact OD1-CZ 2.98Å; D118-R141 IonicContact OD1-NE 3.66Å; D118-R141 PolarHBondContact OD1-NE 3.34Å; D118-R141 IonicContact OD1-NH1 3.55Å; D118-R141 IonicContact OD1-NH2 3.91Å; D118-R141 PolarHBondContact OD1-NH2 2.92Å
119Q98Very high97.5Very high93 Ų9360.9 Ų60.944%0.43529%0.294SS..Hα-helixtrans-60.2-43.4172.9-72.8175-22.900111.9L115 D116 M122 E123L115-Q119 HydrophobicContact CB-CB 3.82Å; L115-Q119 HydrophobicContact CD1-CB 4.4Å; L115-Q119 HydrophobicContact CD2-CB 4.14Å; L115-Q119 HydrophobicContact CG-CB 4.32Å; D116-Q119 WeakPolarHBondContact OD1-CB 3.48Å; D116-Q119 VanDerWaalsContact OD1-CG 3.28Å; D116-Q119 WeakPolarHBondContact OD1-CG 3.4Å; D116-Q119 PolarHBondContact OD1-N 3.14Å; D116-Q119 VanDerWaalsContact OD2-CD 3.25Å; D116-Q119 PolarHBondContact OD2-OE1 2.76Å; Q119-M122 PolarHBondContact O-N 3.24Å; Q119-E123 WeakPolarHBondContact O-CB 3.3Å; Q119-E123 PolarHBondContact O-N 3.24Å
120A98.2Very high97.2Very high0 Ų067.9 Ų67.90%033%0.325CS..Hα-helixtrans-67.6-40.117900000112.7A106 A110 L115 D116 A117 D118 L124A106-A120 WeakPolarHBondContact O-CB 3.35Å; A110-A120 HydrophobicContact CB-CB 3.56Å; L115-A120 HydrophobicContact CB-CB 4.22Å; L115-A120 HydrophobicContact CD1-CB 4.41Å; D116-A120 WeakPolarHBondContact O-CB 3.48Å; D116-A120 PolarHBondContact O-N 2.87Å; A117-A120 PolarHBondContact O-N 3.12Å; D118-A120 PolarHBondContact O-N 3.32Å; A120-L124 WeakPolarHBondContact O-CB 3.43Å; A120-L124 PolarHBondContact O-N 3.15Å
121I97.9Very high96.9Very high3 Ų367.9 Ų67.92%0.01532%0.324CS..Hα-helixtrans-64.8-44.3174.6-69.5159.5000110.1A106 A117 D118 L124 R125 I132 E137 V140 R141A106-I121 HydrophobicContact CB-CG1 4.35Å; A117-I121 WeakPolarHBondContact O-CB 3.39Å; A117-I121 VanDerWaalsContact O-CD1 3.32Å; A117-I121 WeakPolarHBondContact O-CD1 3.37Å; A117-I121 WeakPolarHBondContact O-CG1 3.37Å; A117-I121 PolarHBondContact O-N 3.44Å; D118-I121 PolarHBondContact O-N 2.93Å; I121-L124 PolarHBondContact O-N 2.85Å; I121-R125 HydrophobicContact CG2-CG 4.48Å; I121-R125 WeakPolarHBondContact O-CB 3.47Å; I121-R125 WeakPolarHBondContact O-CG 3.49Å; I121-R125 PolarHBondContact O-N 3.04Å; I121-I132 HydrophobicContact CG1-CD1 4.05Å; I121-E137 HydrophobicContact CD1-CB 4.17Å; I121-E137 HydrophobicContact CD1-CG 3.82Å; I121-V140 HydrophobicContact CD1-CB 4.16Å; I121-V140 HydrophobicContact CD1-CG1 4.33Å; I121-V140 HydrophobicContact CD1-CG2 4.37Å; I121-V140 HydrophobicContact CG1-CB 4.37Å; I121-V140 HydrophobicContact CG1-CG1 4.22Å; I121-V140 HydrophobicContact CG1-CG2 4.26Å; I121-R141 VanDerWaalsContact CD1-NH1 3.34Å
122M97.5Very high96.7Very high134 Ų13463.2 Ų63.266%0.6631%0.306SS*.Hα-helixtrans-61.6-46.8177.7-172.3-176.2-5600111.6D118 Q119 L124 R125 R126D118-M122 VanDerWaalsContact O-CB 3.27Å; D118-M122 WeakPolarHBondContact O-CB 3.43Å; D118-M122 PolarHBondContact O-N 2.93Å; Q119-M122 PolarHBondContact O-N 3.24Å; M122-L124 VanDerWaalsContact C-N 3.35Å; M122-L124 PolarHBondContact O-N 3.44Å; M122-R125 PolarHBondContact O-N 3.33Å; M122-R126 PolarHBondContact O-N 3Å
123E98.1Very high96.3Very high53 Ų5362.8 Ų62.825%0.24831%0.308CS..Hα-helixtrans-63.6-41.3177.2178.959.3-173.900111.5L109 L115 Q119 R125 R126 L127L109-E123 HydrophobicContact CD1-CG 4.29Å; L115-E123 HydrophobicContact CD1-CB 4.4Å; Q119-E123 WeakPolarHBondContact O-CB 3.3Å; Q119-E123 PolarHBondContact O-N 3.24Å; E123-R125 PolarHBondContact O-N 3.03Å; E123-R126 WeakPolarHBondContact O-CB 3.36Å; E123-R126 PolarHBondContact O-N 2.99Å; E123-R126 IonicContact OE1-CZ 3.57Å; E123-R126 IonicContact OE1-NE 3.57Å; E123-R126 IonicContact OE1-NH2 2.73Å; E123-R126 PolarHBondContact OE1-NH2 2.86Å; E123-R126 IonicContact OE2-CZ 3.59Å; E123-R126 IonicContact OE2-NE 2.8Å; E123-R126 PolarHBondContact OE2-NE 3.43Å; E123-R126 IonicContact OE2-NH2 3.51Å; E123-L127 HydrophobicContact CG-CD1 4.21Å; E123-L127 WeakPolarHBondContact O-CG 3.37Å; E123-L127 PolarHBondContact O-N 3.04Å
124L98.3Very high95.9Very high0 Ų065.3 Ų65.30%032%0.322CS..Hα-helixtrans-60.9-46.5174.2-17765.4000111.3V11 G102 L105 A106 L109 A120 I121 M122 R126 L127 R128 I132V11-L124 HydrophobicContact CG1-CD1 3.85Å; G102-L124 WeakPolarHBondContact O-CD2 3.46Å; L105-L124 HydrophobicContact CB-CD1 3.75Å; L105-L124 HydrophobicContact CB-CD2 4.21Å; L105-L124 HydrophobicContact CD1-CD1 4.45Å; A106-L124 HydrophobicContact CB-CB 4.43Å; A106-L124 HydrophobicContact CB-CD2 3.84Å; L109-L124 HydrophobicContact CD1-CB 3.89Å; L109-L124 HydrophobicContact CD1-CD1 4.02Å; A120-L124 WeakPolarHBondContact O-CB 3.43Å; A120-L124 PolarHBondContact O-N 3.15Å; I121-L124 PolarHBondContact O-N 2.85Å; M122-L124 VanDerWaalsContact C-N 3.35Å; M122-L124 PolarHBondContact O-N 3.44Å; L124-R126 PolarHBondContact O-N 3.28Å; L124-L127 CarbonylContact O-C 3.52Å; L124-L127 PolarHBondContact O-N 2.75Å; L124-L127 VanDerWaalsContact O-N 3.15Å; L124-R128 HydrophobicContact CD1-CB 4.36Å; L124-R128 HydrophobicContact CD1-CG 4.41Å; L124-R128 WeakPolarHBondContact O-CA 3.45Å; L124-R128 WeakPolarHBondContact O-CB 3.38Å; L124-R128 PolarHBondContact O-N 2.78Å; L124-I132 HydrophobicContact CD2-CD1 3.66Å; L124-I132 HydrophobicContact CD2-CG1 3.98Å
125R97.6Very high95.4Very high85 Ų8562.8 Ų62.832%0.32131%0.308SS..Hα-helixtrans-64.2-30.3179.4-75.7174173.4159.5-2.3112.1I121 M122 E123 R128 P129 S131 I132 D134 E137I121-R125 HydrophobicContact CG2-CG 4.48Å; I121-R125 WeakPolarHBondContact O-CB 3.47Å; I121-R125 WeakPolarHBondContact O-CG 3.49Å; I121-R125 PolarHBondContact O-N 3.04Å; M122-R125 PolarHBondContact O-N 3.33Å; E123-R125 PolarHBondContact O-N 3.03Å; R125-R128 CarbonylContact O-C 3.37Å; R125-P129 WeakPolarHBondContact O-CA 3.42Å; R125-S131 WeakPolarHBondContact CG-O 3.47Å; R125-S131 PolarHBondContact NE-O 3.35Å; R125-S131 VanDerWaalsContact NE-O 3.13Å; R125-I132 PolarHBondContact NH2-O 3.25Å; R125-D134 IonicContact NH2-OD1 3.23Å; R125-E137 IonicContact CZ-OE1 2.85Å; R125-E137 IonicContact NH1-OE1 2.75Å; R125-E137 PolarHBondContact NH1-OE1 3.05Å; R125-E137 IonicContact NH2-OE1 3.15Å; R125-E137 PolarHBondContact NH2-OE1 2.94Å
126R97.5Very high95.2Very high163 Ų16361 Ų6162%0.61530%0.299SS*.Hα-helixtrans-66.4-44.1171.5-168.5-169.368.975.8-0.5111.9M122 E123 L124M122-R126 PolarHBondContact O-N 3Å; E123-R126 WeakPolarHBondContact O-CB 3.36Å; E123-R126 PolarHBondContact O-N 2.99Å; E123-R126 IonicContact OE1-CZ 3.57Å; E123-R126 IonicContact OE1-NE 3.57Å; E123-R126 IonicContact OE1-NH2 2.73Å; E123-R126 PolarHBondContact OE1-NH2 2.86Å; E123-R126 IonicContact OE2-CZ 3.59Å; E123-R126 IonicContact OE2-NE 2.8Å; E123-R126 PolarHBondContact OE2-NE 3.43Å; E123-R126 IonicContact OE2-NH2 3.51Å; L124-R126 PolarHBondContact O-N 3.28Å
127L97.4Very high95.1Very high53 Ų5359.5 Ų59.528%0.27729%0.29SS..Hα-helixtrans-76.1-32.7178.8-67.5170.1000112.9V11 L109 E123 L124V11-L127 HydrophobicContact CB-CD1 4.29Å; L109-L127 HydrophobicContact CD1-CD1 4.19Å; E123-L127 HydrophobicContact CG-CD1 4.21Å; E123-L127 WeakPolarHBondContact O-CG 3.37Å; E123-L127 PolarHBondContact O-N 3.04Å; L124-L127 CarbonylContact O-C 3.52Å; L124-L127 PolarHBondContact O-N 2.75Å; L124-L127 VanDerWaalsContact O-N 3.15Å
128R97.3Very high95Very high4 Ų463.2 Ų63.22%0.01531%0.306CS..SBendtrans-141.785.6-172.4-64.9-177.762.581.5-0.7109.4N7 S9 V11 G17 G97 L124 R125 K130 S131N7-R128 PolarHBondContact ND2-NH2 2.89Å; N7-R128 PolarHBondContact O-NH1 3.27Å; N7-R128 PolarHBondContact O-NH2 3.25Å; S9-R128 VanDerWaalsContact N-NH1 3.17Å; S9-R128 VanDerWaalsContact OG-CG 3.32Å; S9-R128 WeakPolarHBondContact OG-CG 3.46Å; S9-R128 PolarHBondContact OG-NH1 3.41Å; V11-R128 HydrophobicContact CG1-CG 4.24Å; G17-R128 PolarHBondContact O-NH1 3.46Å; G17-R128 PolarHBondContact O-NH2 3.04Å; G97-R128 PolarHBondContact O-NH2 3.14Å; L124-R128 HydrophobicContact CD1-CB 4.36Å; L124-R128 HydrophobicContact CD1-CG 4.41Å; L124-R128 WeakPolarHBondContact O-CA 3.45Å; L124-R128 WeakPolarHBondContact O-CB 3.38Å; L124-R128 PolarHBondContact O-N 2.78Å; R125-R128 CarbonylContact O-C 3.37Å; R128-K130 PolarHBondContact O-N 2.88Å; R128-S131 WeakPolarHBondContact CB-OG 3.33Å; R128-S131 VanDerWaalsContact O-CB 3.31Å; R128-S131 WeakPolarHBondContact O-CB 3.25Å; R128-S131 PolarHBondContact O-N 3.26Å; R128-S131 PolarHBondContact O-OG 2.94Å
129P94.7Very high95Very high93 Ų9359.5 Ų59.560%0.60429%0.287SS*.THydrogen-bonded Turntrans-54.5142.1178.3-27.435.6000111.9R125 S131R125-P129 WeakPolarHBondContact O-CA 3.42Å; P129-S131 VanDerWaalsContact C-N 3.29Å; P129-S131 PolarHBondContact O-N 3.04Å
130K92.6Very high94.9Very high150 Ų15055 Ų5565%0.65227%0.266SS*.THydrogen-bonded Turntrans69.218.7-178.1-45.3175.6179.9-178.10114.7R98 R128R98-K130 WeakPolarHBondContact CD-O 3.44Å; R128-K130 PolarHBondContact O-N 2.88Å
131S92.7Very high94.9Very high1 Ų158.8 Ų58.81%0.00728%0.28CS..  trans-77.3139.8168.2-84.60000111.5R125 R128 P129R125-S131 WeakPolarHBondContact CG-O 3.47Å; R125-S131 PolarHBondContact NE-O 3.35Å; R125-S131 VanDerWaalsContact NE-O 3.13Å; R128-S131 WeakPolarHBondContact CB-OG 3.33Å; R128-S131 VanDerWaalsContact O-CB 3.31Å; R128-S131 WeakPolarHBondContact O-CB 3.25Å; R128-S131 PolarHBondContact O-N 3.26Å; R128-S131 PolarHBondContact O-OG 2.94Å; P129-S131 VanDerWaalsContact C-N 3.29Å; P129-S131 PolarHBondContact O-N 3.04Å
132I92.1Very high94.8Very high5 Ų565.9 Ų65.93%0.02631%0.307CS..SBendtrans65.6120.7177.6-55.9176000113.6R98 G102 A106 I121 L124 R125 Q136 E137 V140R98-I132 PolarHBondContact O-N 3.37Å; R98-I132 VanDerWaalsContact O-N 3.16Å; G102-I132 VanDerWaalsContact C-CG1 3.47Å; A106-I132 HydrophobicContact CB-CD1 3.41Å; A106-I132 VanDerWaalsContact CB-CD1 3.41Å; I121-I132 HydrophobicContact CG1-CD1 4.05Å; L124-I132 HydrophobicContact CD2-CD1 3.66Å; L124-I132 HydrophobicContact CD2-CG1 3.98Å; R125-I132 PolarHBondContact NH2-O 3.25Å; I132-Q136 HydrophobicContact CG2-CB 3.89Å; I132-E137 HydrophobicContact CG2-CB 4.4Å; I132-E137 HydrophobicContact CG2-CG 3.64Å; I132-V140 HydrophobicContact CD1-CG2 4.06Å
133D89.6Confident94.8Very high75 Ų7559.7 Ų59.740%0.40128%0.276SS..  trans-84156.7169.2-57.3-50.2000110.3D135 Q136 E137D133-D135 WeakPolarHBondContact CB-OD1 3.37Å; D133-D135 PolarHBondContact O-N 3.43Å; D133-D135 VanDerWaalsContact O-N 3.12Å; D133-Q136 WeakPolarHBondContact O-CB 3.3Å; D133-Q136 PolarHBondContact O-N 3.32Å; D133-Q136 PolarHBondContact OD2-NE2 2.9Å; D133-E137 PolarHBondContact O-N 2.92Å
134D87.6Confident94.8Very high133 Ų13357.6 Ų57.671%0.71127%0.267SS*.THydrogen-bonded Turntrans-60.5-26-171-66.2-13.5000113.9R125 E137R125-D134 IonicContact NH2-OD1 3.23Å; D134-E137 WeakPolarHBondContact O-CB 3.27Å
135D87.6Confident94.7Very high81 Ų8164.5 Ų64.543%0.43330%0.297SS..THydrogen-bonded Turntrans-75.2-23.9175.666.3-41.5000113.1S67 D133S67-D135 PolarHBondContact OG-O 3.17Å; D133-D135 WeakPolarHBondContact CB-OD1 3.37Å; D133-D135 PolarHBondContact O-N 3.43Å; D133-D135 VanDerWaalsContact O-N 3.12Å
136Q92.2Very high94.6Very high2 Ų262.1 Ų62.11%0.00929%0.293CS..THydrogen-bonded Turntrans-89.4-19.3-179-66.3161.87.500113.3S67 G99 I132 D133 E138 A139S67-Q136 VanDerWaalsContact OG-CA 3.28Å; S67-Q136 WeakPolarHBondContact OG-CA 3.27Å; G99-Q136 PolarHBondContact O-OE1 2.96Å; I132-Q136 HydrophobicContact CG2-CB 3.89Å; D133-Q136 WeakPolarHBondContact O-CB 3.3Å; D133-Q136 PolarHBondContact O-N 3.32Å; D133-Q136 PolarHBondContact OD2-NE2 2.9Å; Q136-E138 VanDerWaalsContact C-N 3.26Å; Q136-E138 PolarHBondContact O-N 3.37Å; Q136-A139 WeakPolarHBondContact O-CB 3.46Å; Q136-A139 PolarHBondContact O-N 2.82Å; Q136-A139 VanDerWaalsContact O-N 3.14Å
137E95.9Very high94.4Very high27 Ų2757.5 Ų57.513%0.12628%0.28CS..Hα-helixtrans-56.1-37.1175-85.7-148.2-159.800113.1I121 R125 I132 D133 D134 A139 V140 R141I121-E137 HydrophobicContact CD1-CB 4.17Å; I121-E137 HydrophobicContact CD1-CG 3.82Å; R125-E137 IonicContact CZ-OE1 2.85Å; R125-E137 IonicContact NH1-OE1 2.75Å; R125-E137 PolarHBondContact NH1-OE1 3.05Å; R125-E137 IonicContact NH2-OE1 3.15Å; R125-E137 PolarHBondContact NH2-OE1 2.94Å; I132-E137 HydrophobicContact CG2-CB 4.4Å; I132-E137 HydrophobicContact CG2-CG 3.64Å; D133-E137 PolarHBondContact O-N 2.92Å; D134-E137 WeakPolarHBondContact O-CB 3.27Å; E137-A139 VanDerWaalsContact C-N 3.29Å; E137-A139 PolarHBondContact O-N 2.77Å; E137-V140 WeakPolarHBondContact O-CB 3.47Å; E137-V140 PolarHBondContact O-N 2.71Å; E137-R141 VanDerWaalsContact CB-NH1 3.27Å; E137-R141 PolarHBondContact O-N 3.1Å; E137-R141 PolarHBondContact O-NH1 2.8Å; E137-R141 IonicContact OE2-CZ 2.76Å; E137-R141 IonicContact OE2-NH1 3.65Å; E137-R141 PolarHBondContact OE2-NH1 3.46Å; E137-R141 IonicContact OE2-NH2 3.59Å; E137-R141 PolarHBondContact OE2-NH2 3.37Å
138E95.1Very high93.6Very high85 Ų8560.9 Ų60.940%0.39729%0.293SS..Hα-helixtrans-65-32.117817455-163.400112.3Q136 V140 R141 R142Q136-E138 VanDerWaalsContact C-N 3.26Å; Q136-E138 PolarHBondContact O-N 3.37Å; E138-V140 VanDerWaalsContact C-N 3.31Å; E138-V140 PolarHBondContact O-N 3.33Å; E138-R141 PolarHBondContact O-N 3.28Å; E138-R142 WeakPolarHBondContact O-CG 3.47Å; E138-R142 PolarHBondContact O-N 3.13Å; E138-R142 WeakPolarHBondContact OE1-CG 3.37Å; E138-R142 IonicContact OE1-CZ 3.7Å; E138-R142 IonicContact OE1-NE 2.68Å; E138-R142 PolarHBondContact OE1-NE 2.68Å; E138-R142 IonicContact OE1-NH2 3.22Å
139A96.7Very high92Very high9 Ų970 Ų707%0.07434%0.336CS..Hα-helixtrans-67-35.1177.100000112I73 T103 Q136 E137 Y143I73-A139 HydrophobicContact CD1-CB 3.93Å; T103-A139 HydrophobicContact CG2-CB 3.88Å; Q136-A139 WeakPolarHBondContact O-CB 3.46Å; Q136-A139 PolarHBondContact O-N 2.82Å; Q136-A139 VanDerWaalsContact O-N 3.14Å; E137-A139 VanDerWaalsContact C-N 3.29Å; E137-A139 PolarHBondContact O-N 2.77Å; A139-Y143 PolarHBondContact O-N 3.04Å
140V97.4Very high91.8Very high0 Ų068.9 Ų68.90%032%0.322CS..Hα-helixtrans-64.3-46172.2-174.50000110.3T103 A106 A117 I121 I132 E137 E138 R142 Y143 V144T103-V140 HydrophobicContact CG2-CG2 4.04Å; A106-V140 HydrophobicContact CB-CG1 4.12Å; A106-V140 HydrophobicContact CB-CG2 3.95Å; A117-V140 HydrophobicContact CB-CG1 4.04Å; I121-V140 HydrophobicContact CD1-CB 4.16Å; I121-V140 HydrophobicContact CD1-CG1 4.33Å; I121-V140 HydrophobicContact CD1-CG2 4.37Å; I121-V140 HydrophobicContact CG1-CB 4.37Å; I121-V140 HydrophobicContact CG1-CG1 4.22Å; I121-V140 HydrophobicContact CG1-CG2 4.26Å; I132-V140 HydrophobicContact CD1-CG2 4.06Å; E137-V140 WeakPolarHBondContact O-CB 3.47Å; E137-V140 PolarHBondContact O-N 2.71Å; E138-V140 VanDerWaalsContact C-N 3.31Å; E138-V140 PolarHBondContact O-N 3.33Å; V140-R142 PolarHBondContact O-N 3.44Å; V140-Y143 PolarHBondContact O-N 2.71Å; V140-V144 HydrophobicContact CG1-CG2 4.32Å; V140-V144 WeakPolarHBondContact O-CG2 3.31Å; V140-V144 PolarHBondContact O-N 3.42Å
141R97Very high91.8Very high78 Ų7864.6 Ų64.629%0.29431%0.305SS..Hα-helixtrans-58.5-45.5177.5-73.3170.4-175.771.1-12.2112.1A117 D118 I121 E137 E138 Y143 V144 K145A117-R141 HydrophobicContact CB-CB 4.23Å; A117-R141 HydrophobicContact CB-CG 3.49Å; A117-R141 VanDerWaalsContact CB-CG 3.49Å; D118-R141 IonicContact OD1-CZ 2.98Å; D118-R141 IonicContact OD1-NE 3.66Å; D118-R141 PolarHBondContact OD1-NE 3.34Å; D118-R141 IonicContact OD1-NH1 3.55Å; D118-R141 IonicContact OD1-NH2 3.91Å; D118-R141 PolarHBondContact OD1-NH2 2.92Å; I121-R141 VanDerWaalsContact CD1-NH1 3.34Å; E137-R141 VanDerWaalsContact CB-NH1 3.27Å; E137-R141 PolarHBondContact O-N 3.1Å; E137-R141 PolarHBondContact O-NH1 2.8Å; E137-R141 IonicContact OE2-CZ 2.76Å; E137-R141 IonicContact OE2-NH1 3.65Å; E137-R141 PolarHBondContact OE2-NH1 3.46Å; E137-R141 IonicContact OE2-NH2 3.59Å; E137-R141 PolarHBondContact OE2-NH2 3.37Å; E138-R141 PolarHBondContact O-N 3.28Å; R141-Y143 PolarHBondContact O-N 3.35Å; R141-V144 PolarHBondContact O-N 2.78Å; R141-K145 WeakPolarHBondContact O-CB 3.41Å; R141-K145 PolarHBondContact O-N 3.29Å
142R96.3Very high91.7Very high153 Ų15368.2 Ų68.258%0.57732%0.322SS*.Hα-helixtrans-60.2-44.1175.8-71.1176-173.2-177.83.1112.1E138 V140 K145 S146E138-R142 WeakPolarHBondContact O-CG 3.47Å; E138-R142 PolarHBondContact O-N 3.13Å; E138-R142 WeakPolarHBondContact OE1-CG 3.37Å; E138-R142 IonicContact OE1-CZ 3.7Å; E138-R142 IonicContact OE1-NE 2.68Å; E138-R142 PolarHBondContact OE1-NE 2.68Å; E138-R142 IonicContact OE1-NH2 3.22Å; V140-R142 PolarHBondContact O-N 3.44Å; R142-K145 PolarHBondContact O-N 3.01Å; R142-S146 PolarHBondContact O-N 3.44Å
143Y97.5Very high91.7Very high4 Ų471.9 Ų71.92%0.01634%0.339CS..Hα-helixtrans-62.8-49.8176.3175.5-101.9000112.1L70 I73 M77 C107 A139 V140 R141 K145 S146 I147L70-Y143 HydrophobicContact CD1-CD2 4.15Å; I73-Y143 HydrophobicContact CG2-CD2 3.51Å; I73-Y143 HydrophobicContact CG2-CE2 4.09Å; I73-Y143 HydrophobicContact CG2-CG 3.76Å; M77-Y143 HydrophobicContact CB-CE2 4.4Å; M77-Y143 WeakPolarHBondContact CE-OH 3.41Å; M77-Y143 HydrophobicContact CG-CE1 4.4Å; M77-Y143 HydrophobicContact CG-CE2 3.89Å; C107-Y143 HydrophobicContact CB-CD1 3.43Å; C107-Y143 VanDerWaalsContact CB-CD1 3.43Å; C107-Y143 HydrophobicContact CB-CE1 3.75Å; C107-Y143 HydrophobicContact CB-CG 3.97Å; C107-Y143 WeakPolarHBondContact O-CE1 3.45Å; A139-Y143 PolarHBondContact O-N 3.04Å; V140-Y143 PolarHBondContact O-N 2.71Å; R141-Y143 PolarHBondContact O-N 3.35Å; Y143-K145 VanDerWaalsContact C-N 3.27Å; Y143-K145 PolarHBondContact O-N 3.07Å; Y143-S146 WeakPolarHBondContact O-CA 3.48Å; Y143-S146 WeakPolarHBondContact O-CB 3.45Å; Y143-S146 PolarHBondContact O-N 3.15Å; Y143-S146 PolarHBondContact O-OG 3.32Å; Y143-I147 HydrophobicContact CE1-CD1 3.99Å; Y143-I147 HydrophobicContact CE1-CG2 4.22Å; Y143-I147 HydrophobicContact CE2-CG2 3.9Å; Y143-I147 PolarHBondContact O-N 3.15Å
144V97.4Very high91.8Very high8 Ų871.7 Ų71.75%0.04834%0.335CS..Hα-helixtrans-59.7-39.8179.4173.70000111.2A110 A117 V140 R141 S146 I147 K148A110-V144 HydrophobicContact CB-CG2 3.52Å; A117-V144 HydrophobicContact CB-CB 4.33Å; A117-V144 HydrophobicContact CB-CG2 4.07Å; V140-V144 HydrophobicContact CG1-CG2 4.32Å; V140-V144 WeakPolarHBondContact O-CG2 3.31Å; V140-V144 PolarHBondContact O-N 3.42Å; R141-V144 PolarHBondContact O-N 2.78Å; V144-S146 VanDerWaalsContact C-N 3.3Å; V144-S146 PolarHBondContact O-N 2.84Å; V144-I147 VanDerWaalsContact O-CG1 3.26Å; V144-I147 WeakPolarHBondContact O-CG1 3.48Å; V144-I147 PolarHBondContact O-N 2.9Å; V144-K148 HydrophobicContact CG1-CD 4.24Å; V144-K148 WeakPolarHBondContact O-CG 3.44Å; V144-K148 PolarHBondContact O-N 3.09Å
145K96.3Very high92.1Very high145 Ų14567.6 Ų67.663%0.6331%0.31SS*.Hα-helixtrans-63.7-34.2173.4-171.4-179.7177.3-179.40112.5R141 R142 Y143 Q149R141-K145 WeakPolarHBondContact O-CB 3.41Å; R141-K145 PolarHBondContact O-N 3.29Å; R142-K145 PolarHBondContact O-N 3.01Å; Y143-K145 VanDerWaalsContact C-N 3.27Å; Y143-K145 PolarHBondContact O-N 3.07Å; K145-Q149 PolarHBondContact O-NE2 3.23Å
146S95.3Very high92.5Very high35 Ų3566.6 Ų66.625%0.24530%0.301CS..Hα-helixtrans-72.2-23.9-179.477.40000114.4R142 Y143 V144R142-S146 PolarHBondContact O-N 3.44Å; Y143-S146 WeakPolarHBondContact O-CA 3.48Å; Y143-S146 WeakPolarHBondContact O-CB 3.45Å; Y143-S146 PolarHBondContact O-N 3.15Å; Y143-S146 PolarHBondContact O-OG 3.32Å; V144-S146 VanDerWaalsContact C-N 3.3Å; V144-S146 PolarHBondContact O-N 2.84Å
147I93.7Very high92.5Very high66 Ų6671.6 Ų71.634%0.33832%0.324SS..Hα-helixtrans-96.4-8-179.963.1170000113.8Y111 Y143 V144Y111-I147 HydrophobicContact CD2-CD1 4.48Å; Y143-I147 HydrophobicContact CE1-CD1 3.99Å; Y143-I147 HydrophobicContact CE1-CG2 4.22Å; Y143-I147 HydrophobicContact CE2-CG2 3.9Å; Y143-I147 PolarHBondContact O-N 3.15Å; V144-I147 VanDerWaalsContact O-CG1 3.26Å; V144-I147 WeakPolarHBondContact O-CG1 3.48Å; V144-I147 PolarHBondContact O-N 2.9Å
148K81.5Confident92.2Very high125 Ų12575.3 Ų75.354%0.54334%0.34SS..  trans-100.3-0.3177.8-70.5-174.5178.4-176.40113.4V144V144-K148 HydrophobicContact CG1-CD 4.24Å; V144-K148 WeakPolarHBondContact O-CG 3.44Å; V144-K148 PolarHBondContact O-N 3.09Å
149Q62.2Low91.9Very high196 Ų19674.5 Ų74.592%0.91634%0.335SS*.  trans-97.50173.6-75.3171.875.800109.4K145K145-Q149 PolarHBondContact O-NE2 3.23Å

Retrieved 149 of 149 residues in 49.8 ms (Link to these results)

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