A0A096N860_PAPAN Loading...

G-patch domain containing 3

AlphaFold DB , UniProt , Accession A0A096N860, Species PAPAN (Papio anubis, Olive baboon), Gene GPATCH3, Length 525 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
1M34.3Very low42.8Very low248 Ų248135.7 Ų135.7100%1.22280%0.797SS**  080.10-68.1-84.3-152.200107.1
2A28.8Very low46.6Very low100 Ų100130.2 Ų130.283%0.82677%0.766SS**PPolyproline II helixtrans-100.4121177.200000107.6
3V33.3Very low50Low136 Ų136121.1 Ų121.182%0.82471%0.712SS**PPolyproline II helixtrans-69128.6174.8179.10000107.8
4P39.6Very low52.9Low118 Ų118114.6 Ų114.677%0.76667%0.67SS**PPolyproline II helixtrans-74.6128.817030.3-28.8000108.7
5G31.9Very low55.6Low69 Ų69107.1 Ų107.171%0.71163%0.626SS**PPolyproline II helixtrans-60.8148-175.500000113.4A7G5-A7 PolarHBondContact O-N 3.18Å; G5-A7 VanDerWaalsContact O-N 3.13Å
6E34.6Very low57.9Low198 Ų198102.6 Ų102.693%0.92560%0.6SS**  trans-59.1111.5170.8-57-156.7152.500109E8E6-E8 PolarHBondContact O-N 3.15Å
7A36.9Very low60Low86 Ų8696.6 Ų96.671%0.71157%0.565SS**  trans-67.2122167.300000107.5G5 E9G5-A7 PolarHBondContact O-N 3.18Å; G5-A7 VanDerWaalsContact O-N 3.13Å; A7-E9 PolarHBondContact O-N 2.77Å; A7-E9 VanDerWaalsContact O-N 3.1Å
8E40.1Very low61.7Low173 Ų17391.6 Ų91.681%0.80854%0.536SS*.  trans-45.4117.8170.3-63.9179.5158.900109.4E6 E10E6-E8 PolarHBondContact O-N 3.15Å; E8-E10 VanDerWaalsContact C-N 3.26Å; E8-E10 PolarHBondContact O-N 3.36Å
9E46.8Very low63.1Low195 Ų19587.2 Ų87.291%0.91151%0.512SS*.  trans-65.589.3172.1-73-170.6157.400108.5A7 A11A7-E9 PolarHBondContact O-N 2.77Å; A7-E9 VanDerWaalsContact O-N 3.1Å; E9-A11 PolarHBondContact O-N 3.33Å
10E60.7Low64.5Low96 Ų9682.8 Ų82.845%0.44949%0.487SS..  trans-55.8115.8174.9-75170.5-125.400110E8 T12 R109E8-E10 VanDerWaalsContact C-N 3.26Å; E8-E10 PolarHBondContact O-N 3.36Å; E10-T12 PolarHBondContact O-N 3.27Å; E10-R109 HydrophobicContact CB-CG 3.92Å; E10-R109 IonicContact OE1-CZ 3.38Å; E10-R109 IonicContact OE1-NE 3.18Å; E10-R109 PolarHBondContact OE1-NE 3.01Å; E10-R109 VanDerWaalsContact OE1-NE 3.14Å; E10-R109 IonicContact OE1-NH2 2.75Å; E10-R109 PolarHBondContact OE1-NH2 3.05Å; E10-R109 WeakPolarHBondContact OE2-CD 3.45Å; E10-R109 VanDerWaalsContact OE2-CG 3.26Å; E10-R109 WeakPolarHBondContact OE2-CG 3.45Å; E10-R109 IonicContact OE2-CZ 3.76Å; E10-R109 IonicContact OE2-NE 2.8Å; E10-R109 PolarHBondContact OE2-NE 3.27Å; E10-R109 IonicContact OE2-NH2 3.85Å
11A83.6Confident65.8Low74 Ų7479.3 Ų79.361%0.61247%0.466SS*.  trans-56.5130.1-17400000112.7E9 V13 G110E9-A11 PolarHBondContact O-N 3.33Å; A11-V13 PolarHBondContact O-N 3.27Å; A11-G110 VanDerWaalsContact O-CA 3.27Å; A11-G110 WeakPolarHBondContact O-CA 3.37Å; A11-G110 PolarHBondContact O-N 3.46Å
12T88.3Confident68.4Low69 Ų6970 Ų7042%0.42343%0.426SS..EExtended strand (participates in β ladder)trans-69.1124.6175.2-56.90000111.1E10 Y14 L45E10-T12 PolarHBondContact O-N 3.27Å; T12-Y14 HydrophobicContact CG2-CE1 3.98Å; T12-Y14 HydrophobicContact CG2-CE2 4.22Å; T12-L45 HydrophobicContact CG2-CD1 3.82Å
13V90.7Very high71.3Confident12 Ų1269.8 Ų69.87%0.07341%0.414CS..EExtended strand (participates in β ladder)trans-105.5130.4175.3-177.50000110A11 L15 S107 V108 A114 R142A11-V13 PolarHBondContact O-N 3.27Å; V13-L15 HydrophobicContact CG1-CD2 4.05Å; V13-S107 WeakPolarHBondContact O-CA 3.47Å; V13-V108 PolarHBondContact N-O 3.41Å; V13-V108 PolarHBondContact O-N 2.88Å; V13-A114 HydrophobicContact CB-CB 4.1Å; V13-A114 HydrophobicContact CG1-CB 3.88Å; V13-R142 HydrophobicContact CG1-CG 4.2Å
14Y91.7Very high74Confident31 Ų3163.4 Ų63.412%0.12238%0.375CS..EExtended strand (participates in β ladder)trans-97.9131.9176.7-58.1-78.8000111.1T12 I106 L143 L175 L178 L184T12-Y14 HydrophobicContact CG2-CE1 3.98Å; T12-Y14 HydrophobicContact CG2-CE2 4.22Å; Y14-I106 WeakPolarHBondContact CA-O 3.31Å; Y14-L143 PolarHBondContact O-N 3.17Å; Y14-L175 HydrophobicContact CE2-CD2 4.04Å; Y14-L178 HydrophobicContact CD1-CD2 3.5Å; Y14-L178 HydrophobicContact CD2-CD2 4.17Å; Y14-L178 HydrophobicContact CE1-CD2 3.37Å; Y14-L178 HydrophobicContact CE2-CD2 4.07Å; Y14-L178 HydrophobicContact CG-CD1 4.28Å; Y14-L178 HydrophobicContact CG-CD2 3.9Å; Y14-L184 HydrophobicContact CD1-CD1 4.13Å; Y14-L184 HydrophobicContact CE1-CD1 3.92Å
15L92.3Very high76.4Confident1 Ų164.8 Ų64.81%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-126157.5178.2-49.9168.3000109.6V13 I106 V108 A114 L117 L118 I140 R141 R142V13-L15 HydrophobicContact CG1-CD2 4.05Å; L15-I106 HydrophobicContact CB-CD1 4.02Å; L15-I106 HydrophobicContact CB-CG1 3.7Å; L15-I106 HydrophobicContact CD1-CD1 4.2Å; L15-I106 PolarHBondContact N-O 2.92Å; L15-I106 WeakPolarHBondContact O-CG1 3.32Å; L15-I106 PolarHBondContact O-N 3.49Å; L15-V108 HydrophobicContact CD1-CG2 3.99Å; L15-A114 HydrophobicContact CD1-CB 4.11Å; L15-A114 HydrophobicContact CD2-CB 4.34Å; L15-L117 HydrophobicContact CD1-CD2 3.66Å; L15-L118 HydrophobicContact CD1-CD1 3.94Å; L15-L118 HydrophobicContact CD2-CD1 3.97Å; L15-I140 HydrophobicContact CB-CG2 4.08Å; L15-I140 HydrophobicContact CD1-CG2 4.14Å; L15-R141 CarbonylContact C-O 3.53Å; L15-R141 VanDerWaalsContact CA-O 3.32Å; L15-R141 WeakPolarHBondContact CA-O 3.18Å; L15-R142 HydrophobicContact CD2-CB 3.77Å; L15-R142 HydrophobicContact CD2-CG 4.11Å
16V92.9Very high79.2Confident36 Ų3662.7 Ų62.722%0.21834%0.34CS..EExtended strand (participates in β ladder)trans-117.4123.8173-1780000108C104 V105 I140 R141 L143V16-C104 WeakPolarHBondContact CA-O 3.43Å; V16-V105 HydrophobicContact CG2-CG2 4.46Å; V16-I140 WeakPolarHBondContact O-CA 3.44Å; V16-R141 PolarHBondContact N-O 3.41Å; V16-R141 PolarHBondContact O-N 3.37Å; V16-L143 HydrophobicContact CG2-CB 4.32Å; V16-L143 HydrophobicContact CG2-CD1 3.76Å; V16-L143 HydrophobicContact CG2-CG 4.48Å
17V93.1Very high81.8Confident0 Ų053.9 Ų53.90%030%0.3CS..EExtended strand (participates in β ladder)trans-94.8120.3169.3-173.90000107.5I20 F33 C103 C104 I106 W126 L139 I140V17-I20 HydrophobicContact CB-CD1 4.38Å; V17-I20 HydrophobicContact CG1-CD1 3.96Å; V17-I20 HydrophobicContact CG1-CG1 4.03Å; V17-F33 HydrophobicContact CG1-CZ 4.4Å; V17-C103 CarbonylContact O-C 3.5Å; V17-C103 VanDerWaalsContact O-CA 3.22Å; V17-C103 WeakPolarHBondContact O-CA 3.34Å; V17-C104 PolarHBondContact N-O 3.2Å; V17-C104 PolarHBondContact O-N 2.95Å; V17-I106 HydrophobicContact CG2-CD1 3.7Å; V17-I106 HydrophobicContact CG2-CG1 4.2Å; V17-I106 HydrophobicContact CG2-CG2 4.23Å; V17-W126 HydrophobicContact CG1-CH2 4.21Å; V17-W126 HydrophobicContact CG1-CZ2 4.45Å; V17-L139 CarbonylContact C-O 3.38Å; V17-L139 WeakPolarHBondContact CA-O 3.45Å; V17-I140 HydrophobicContact CG2-CG1 4.37Å
18S91.6Very high84.3Confident6 Ų651.8 Ų51.84%0.04228%0.276CS..EExtended strand (participates in β ladder)trans-124.7167.4-179.966.50000111.7I20 E54 L139S18-I20 VanDerWaalsContact C-N 3.35Å; S18-E54 WeakPolarHBondContact CB-OE1 3.43Å; S18-L139 PolarHBondContact N-O 3.47Å; S18-L139 PolarHBondContact O-N 3.36Å; S18-L139 VanDerWaalsContact O-N 3.14Å; S18-L139 WeakPolarHBondContact OG-CB 3.32Å; S18-L139 PolarHBondContact OG-O 2.74Å
19G87.9Confident86.8Confident8 Ų843.5 Ų43.58%0.08224%0.237CC..EExtended strand (participates in β ladder)trans75.617.9-176.700000114.7P21 E54 C102 W126G19-P21 WeakPolarHBondContact O-CD 3.44Å; G19-E54 PolarHBondContact N-OE2 2.99Å; G19-C102 PolarHBondContact N-O 3.45Å; G19-W126 PolarHBondContact O-NE1 3.32Å
20I91.9Very high88.8Confident0 Ų034.8 Ų34.80%020%0.196CC..EExtended strand (participates in β ladder)trans-70.9121.2178.6-58.6168.8000108.7V17 S18 S22 L24 L29 Y49 T101 C102 C104 W126V17-I20 HydrophobicContact CB-CD1 4.38Å; V17-I20 HydrophobicContact CG1-CD1 3.96Å; V17-I20 HydrophobicContact CG1-CG1 4.03Å; S18-I20 VanDerWaalsContact C-N 3.35Å; I20-S22 PolarHBondContact O-N 2.71Å; I20-L24 HydrophobicContact CG2-CB 4.23Å; I20-L24 HydrophobicContact CG2-CD1 4.47Å; I20-L29 HydrophobicContact CD1-CD1 4.37Å; I20-L29 HydrophobicContact CG2-CD1 4.4Å; I20-L29 HydrophobicContact CG2-CD2 4.1Å; I20-Y49 HydrophobicContact CD1-CD2 4.2Å; I20-Y49 HydrophobicContact CD1-CE2 3.81Å; I20-Y49 HydrophobicContact CG2-CE2 4.27Å; I20-T101 CarbonylContact O-C 3.47Å; I20-T101 VanDerWaalsContact O-CA 3.31Å; I20-T101 WeakPolarHBondContact O-CA 3.26Å; I20-C102 HydrophobicContact CB-CB 4.24Å; I20-C102 WeakPolarHBondContact CB-O 3.38Å; I20-C102 PolarHBondContact N-O 3.49Å; I20-C102 PolarHBondContact O-N 3.36Å; I20-C104 HydrophobicContact CD1-CB 4.29Å; I20-W126 HydrophobicContact CB-CZ2 4.27Å; I20-W126 HydrophobicContact CG1-CH2 3.89Å; I20-W126 HydrophobicContact CG1-CZ2 3.68Å
21P91.1Very high90.2Very high10 Ų1030.9 Ų30.97%0.06518%0.179CC..EExtended strand (participates in β ladder)trans-59.5135.3176.3-23.132.3000111G19 V23 L24 W126 L134G19-P21 WeakPolarHBondContact O-CD 3.44Å; P21-V23 PolarHBondContact O-N 2.86Å; P21-L24 HydrophobicContact CB-CG 4.25Å; P21-L24 HydrophobicContact CG-CD1 4.2Å; P21-L24 HydrophobicContact CG-CG 4.33Å; P21-L24 WeakPolarHBondContact O-CB 3.47Å; P21-L24 PolarHBondContact O-N 3Å; P21-W126 HydrophobicContact CG-CB 4.02Å; P21-W126 HydrophobicContact CG-CG 3.84Å; P21-L134 HydrophobicContact CG-CB 4.27Å; P21-L134 HydrophobicContact CG-CD1 4.33Å
22S88.7Confident90.5Very high52 Ų5227.7 Ų27.736%0.36415%0.151SC..THydrogen-bonded Turntrans-59.4-20.6-179.447.20000114.6I20 L24 R100I20-S22 PolarHBondContact O-N 2.71Å; S22-L24 VanDerWaalsContact C-N 3.33Å; S22-R100 VanDerWaalsContact CB-O 3.23Å; S22-R100 WeakPolarHBondContact CB-O 3.23Å; S22-R100 PolarHBondContact N-O 2.8Å; S22-R100 VanDerWaalsContact N-O 3.08Å; S22-R100 PolarHBondContact OG-O 3.01Å
23V89.8Confident90.6Very high96 Ų9624.5 Ų24.558%0.58213%0.131SC*.THydrogen-bonded Turntrans-69.1-30.4174.4-174.80000111.7P21 R25P21-V23 PolarHBondContact O-N 2.86Å; V23-R25 PolarHBondContact O-N 3.14Å
24L89.9Confident90.5Very high2 Ų224.4 Ų24.41%0.0113%0.131CC..  trans-72129.2-177.4-64.5-172.3000111.9I20 P21 S22 H28 L29 H51 W126 L134I20-L24 HydrophobicContact CG2-CB 4.23Å; I20-L24 HydrophobicContact CG2-CD1 4.47Å; P21-L24 HydrophobicContact CB-CG 4.25Å; P21-L24 HydrophobicContact CG-CD1 4.2Å; P21-L24 HydrophobicContact CG-CG 4.33Å; P21-L24 WeakPolarHBondContact O-CB 3.47Å; P21-L24 PolarHBondContact O-N 3Å; S22-L24 VanDerWaalsContact C-N 3.33Å; L24-H28 HydrophobicContact CB-CB 4.47Å; L24-H28 HydrophobicContact CD2-CB 3.81Å; L24-L29 HydrophobicContact CD1-CD2 4.17Å; L24-H51 PolarHBondContact O-CE1 2.87Å; L24-W126 HydrophobicContact CD1-CB 4.31Å; L24-W126 HydrophobicContact CD1-CD2 4.04Å; L24-W126 HydrophobicContact CD1-CE3 3.72Å; L24-W126 HydrophobicContact CD1-CG 4.31Å; L24-W126 HydrophobicContact CD1-CZ3 4.37Å; L24-L134 HydrophobicContact CD1-CD1 4.39Å; L24-L134 HydrophobicContact CD2-CD1 3.55Å; L24-L134 HydrophobicContact CG-CD1 4.02Å
25R90.8Very high90.3Very high147 Ų14725.8 Ų25.856%0.55514%0.139SC*.  trans-99.3172.2174.6-56-64.1-75.9-168.1-12.4110.2V23 A27 H28 L29 H51V23-R25 PolarHBondContact O-N 3.14Å; R25-A27 PolarHBondContact O-N 2.79Å; R25-H28 PolarHBondContact N-ND1 2.99Å; R25-H28 PolarHBondContact O-N 2.94Å; R25-H28 VanDerWaalsContact O-N 3.11Å; R25-L29 PolarHBondContact O-N 3.48Å; R25-H51 WeakPolarHBondContact CD-NE2 3.35Å; R25-H51 PolarHBondContact NH1-NE2 2.9Å
26S90.4Very high90.2Very high25 Ų2525.9 Ų25.918%0.17514%0.139CC..Hα-helixtrans-56.9-33.317751.10000113.3L29 R30 N194S26-L29 PolarHBondContact O-N 3.29Å; S26-R30 WeakPolarHBondContact O-CB 3.38Å; S26-R30 WeakPolarHBondContact O-CG 3.37Å; S26-R30 PolarHBondContact O-N 3.47Å; S26-N194 VanDerWaalsContact CB-ND2 3.31Å; S26-N194 WeakPolarHBondContact CB-ND2 3.46Å
27A89Confident90Very high12 Ų1225 Ų2510%0.09913%0.132CC..Hα-helixtrans-62.7-41.917600000112.6R25 R30 S31 Q220R25-A27 PolarHBondContact O-N 2.79Å; A27-R30 VanDerWaalsContact O-CB 3.29Å; A27-R30 WeakPolarHBondContact O-CB 3.39Å; A27-R30 PolarHBondContact O-N 3.08Å; A27-S31 PolarHBondContact O-N 3.37Å; A27-S31 VanDerWaalsContact O-N 3.1Å; A27-Q220 HydrophobicContact CB-CB 3.97Å; A27-Q220 VanDerWaalsContact CB-OE1 3.27Å
28H90Very high89.7Confident42 Ų4227.8 Ų27.819%0.19415%0.145CC..Hα-helixtrans-69.1-41.5178.5-51158.3000111.4L24 R25 R30 S31 Y32L24-H28 HydrophobicContact CB-CB 4.47Å; L24-H28 HydrophobicContact CD2-CB 3.81Å; R25-H28 PolarHBondContact N-ND1 2.99Å; R25-H28 PolarHBondContact O-N 2.94Å; R25-H28 VanDerWaalsContact O-N 3.11Å; H28-R30 PolarHBondContact O-N 3.47Å; H28-S31 PolarHBondContact O-N 3.07Å; H28-S31 VanDerWaalsContact O-N 3.08Å; H28-Y32 WeakPolarHBondContact O-CB 3.47Å; H28-Y32 PolarHBondContact O-N 3.42Å
29L91Very high89.4Confident0 Ų029.7 Ų29.70%016%0.155CC..Hα-helixtrans-63.5-32.5174.7-62.5179.2000112I20 L24 R25 S26 Y32 F33 F47 Y49 W126 V195I20-L29 HydrophobicContact CD1-CD1 4.37Å; I20-L29 HydrophobicContact CG2-CD1 4.4Å; I20-L29 HydrophobicContact CG2-CD2 4.1Å; L24-L29 HydrophobicContact CD1-CD2 4.17Å; R25-L29 PolarHBondContact O-N 3.48Å; S26-L29 PolarHBondContact O-N 3.29Å; L29-Y32 PolarHBondContact O-N 3.32Å; L29-F33 HydrophobicContact CD2-CE2 4.33Å; L29-F33 VanDerWaalsContact O-CD2 3.3Å; L29-F33 WeakPolarHBondContact O-CD2 3.36Å; L29-F33 PolarHBondContact O-N 3.08Å; L29-F47 HydrophobicContact CD1-CZ 4.41Å; L29-Y49 HydrophobicContact CD1-CD1 3.66Å; L29-Y49 HydrophobicContact CD1-CD2 3.89Å; L29-Y49 HydrophobicContact CD1-CE1 3.99Å; L29-Y49 HydrophobicContact CD1-CE2 4.23Å; L29-Y49 HydrophobicContact CD1-CG 3.58Å; L29-W126 HydrophobicContact CD2-CE3 4.48Å; L29-W126 HydrophobicContact CD2-CH2 4.1Å; L29-W126 HydrophobicContact CD2-CZ3 3.7Å; L29-V195 HydrophobicContact CB-CG1 3.94Å; L29-V195 HydrophobicContact CB-CG2 3.89Å; L29-V195 HydrophobicContact CD1-CG2 4.33Å
30R90.4Very high88.6Confident12 Ų1240.5 Ų40.55%0.04519%0.193CC..Hα-helixtrans-63.4-41.7172-78.117476.764.511.1111.8S26 A27 H28 S34 R37 N194 V195 T197 F202S26-R30 WeakPolarHBondContact O-CB 3.38Å; S26-R30 WeakPolarHBondContact O-CG 3.37Å; S26-R30 PolarHBondContact O-N 3.47Å; A27-R30 VanDerWaalsContact O-CB 3.29Å; A27-R30 WeakPolarHBondContact O-CB 3.39Å; A27-R30 PolarHBondContact O-N 3.08Å; H28-R30 PolarHBondContact O-N 3.47Å; R30-S34 PolarHBondContact O-N 2.79Å; R30-R37 VanDerWaalsContact C-NH1 3.31Å; R30-R37 VanDerWaalsContact CA-NH1 3.3Å; R30-R37 PolarHBondContact O-NH1 2.92Å; R30-N194 WeakPolarHBondContact CD-O 3.29Å; R30-N194 PolarHBondContact NH1-O 2.93Å; R30-V195 HydrophobicContact CG-CB 4.33Å; R30-V195 HydrophobicContact CG-CG1 4.21Å; R30-V195 HydrophobicContact CG-CG2 4.49Å; R30-V195 PolarHBondContact NH1-O 3.21Å; R30-T197 PolarHBondContact NH1-O 3.44Å; R30-T197 PolarHBondContact NH2-O 3Å; R30-F202 VanDerWaalsContact NH2-CE2 3.33Å
31S88.2Confident87.3Confident14 Ų1443.2 Ų43.210%0.09822%0.221CC..Hα-helixtrans-68.2-43.7176.4-176.90000111A27 H28 F33 S34 A254A27-S31 PolarHBondContact O-N 3.37Å; A27-S31 VanDerWaalsContact O-N 3.1Å; H28-S31 PolarHBondContact O-N 3.07Å; H28-S31 VanDerWaalsContact O-N 3.08Å; S31-F33 PolarHBondContact O-N 3.08Å; S31-S34 VanDerWaalsContact O-CB 3.25Å; S31-S34 WeakPolarHBondContact O-CB 3.48Å; S31-S34 PolarHBondContact O-N 3.5Å; S31-S34 PolarHBondContact O-OG 3.1Å; S31-A254 PolarHBondContact O-N 3.07Å; S31-A254 VanDerWaalsContact O-N 3.09Å; S31-A254 PolarHBondContact OG-N 3.39Å
32Y90Very high86.2Confident7 Ų743.4 Ų43.43%0.02723%0.225CC..Hα-helixtrans-61.8-46-179-170.1-92000113.3H28 L29 S34 Y121 R124 R125 W126 C138 I259H28-Y32 WeakPolarHBondContact O-CB 3.47Å; H28-Y32 PolarHBondContact O-N 3.42Å; L29-Y32 PolarHBondContact O-N 3.32Å; Y32-S34 VanDerWaalsContact C-N 3.32Å; Y32-S34 PolarHBondContact O-N 2.98Å; Y32-Y121 AromaticContact CD1-CD1 3.98Å; Y32-Y121 HydrophobicContact CD1-CD1 3.98Å; Y32-Y121 HydrophobicContact CD1-CE1 4.26Å; Y32-Y121 AromaticContact CE1-CD1 3.54Å; Y32-Y121 HydrophobicContact CE1-CD1 3.54Å; Y32-Y121 HydrophobicContact CE1-CE1 4.22Å; Y32-Y121 HydrophobicContact CE1-CG 4.39Å; Y32-Y121 WeakPolarHBondContact O-CE1 3.38Å; Y32-R124 WeakPolarHBondContact OH-CB 3.4Å; Y32-R125 VanDerWaalsContact CE2-O 3.31Å; Y32-R125 WeakPolarHBondContact CE2-O 3.48Å; Y32-R125 PolarHBondContact OH-O 3.07Å; Y32-W126 HydrophobicContact CD1-CE3 4.23Å; Y32-W126 AromaticContact CD1-CZ3 3.71Å; Y32-W126 HydrophobicContact CD1-CZ3 3.71Å; Y32-W126 HydrophobicContact CD2-CE3 4.05Å; Y32-W126 HydrophobicContact CD2-CZ3 4.33Å; Y32-W126 HydrophobicContact CE1-CE3 4.08Å; Y32-W126 HydrophobicContact CE1-CH2 4.43Å; Y32-W126 AromaticContact CE1-CZ3 3.69Å; Y32-W126 HydrophobicContact CE1-CZ3 3.69Å; Y32-W126 AromaticContact CE2-CE3 3.9Å; Y32-W126 HydrophobicContact CE2-CE3 3.9Å; Y32-W126 HydrophobicContact CE2-CZ3 4.33Å; Y32-W126 HydrophobicContact CG-CE3 4.2Å; Y32-W126 HydrophobicContact CG-CZ3 4.03Å; Y32-W126 AromaticContact CZ-CE3 3.92Å; Y32-C138 HydrophobicContact CE1-CB 4.42Å; Y32-I259 HydrophobicContact CD2-CD1 3.76Å; Y32-I259 HydrophobicContact CE1-CD1 4.43Å; Y32-I259 HydrophobicContact CE2-CD1 3.63Å; Y32-I259 HydrophobicContact CE2-CG1 4.37Å; Y32-I259 HydrophobicContact CE2-CG2 3.98Å; Y32-I259 HydrophobicContact CG-CD1 4.23Å
33F91.1Very high85.9Confident1 Ų141.9 Ų41.90%0.00422%0.217CC..THydrogen-bonded Turntrans-94.626.2-179.5-64.1-74.4000113.2V17 L29 S31 R37 F44 F47 L117 Y121 W126 I140V17-F33 HydrophobicContact CG1-CZ 4.4Å; L29-F33 HydrophobicContact CD2-CE2 4.33Å; L29-F33 VanDerWaalsContact O-CD2 3.3Å; L29-F33 WeakPolarHBondContact O-CD2 3.36Å; L29-F33 PolarHBondContact O-N 3.08Å; S31-F33 PolarHBondContact O-N 3.08Å; F33-R37 WeakPolarHBondContact O-CB 3.46Å; F33-R37 PolarHBondContact O-N 3.11Å; F33-F44 HydrophobicContact CB-CE2 3.96Å; F33-F44 HydrophobicContact CB-CZ 4.08Å; F33-F44 HydrophobicContact CD1-CZ 4.21Å; F33-F44 HydrophobicContact CG-CZ 4.19Å; F33-F47 AromaticContact CD2-CE1 3.66Å; F33-F47 HydrophobicContact CD2-CE1 3.66Å; F33-F47 HydrophobicContact CD2-CZ 4.25Å; F33-F47 AromaticContact CE2-CE1 3.79Å; F33-F47 HydrophobicContact CE2-CE1 3.79Å; F33-F47 HydrophobicContact CE2-CZ 4.04Å; F33-F47 HydrophobicContact CG-CE1 4.31Å; F33-L117 HydrophobicContact CD1-CD1 4.32Å; F33-Y121 AromaticContact CD1-CD1 3.69Å; F33-Y121 HydrophobicContact CD1-CD1 3.69Å; F33-Y121 AromaticContact CD1-CD2 3.74Å; F33-Y121 HydrophobicContact CD1-CD2 3.74Å; F33-Y121 AromaticContact CD1-CE1 3.81Å; F33-Y121 HydrophobicContact CD1-CE1 3.81Å; F33-Y121 AromaticContact CD1-CE2 3.85Å; F33-Y121 HydrophobicContact CD1-CE2 3.85Å; F33-Y121 AromaticContact CD1-CG 3.64Å; F33-Y121 HydrophobicContact CD1-CG 3.64Å; F33-Y121 AromaticContact CD1-CZ 3.87Å; F33-Y121 AromaticContact CE1-CD1 3.75Å; F33-Y121 HydrophobicContact CE1-CD1 3.75Å; F33-Y121 AromaticContact CE1-CD2 3.92Å; F33-Y121 HydrophobicContact CE1-CD2 3.92Å; F33-Y121 HydrophobicContact CE1-CE1 4.34Å; F33-Y121 HydrophobicContact CE1-CE2 4.49Å; F33-Y121 AromaticContact CE1-CG 3.5Å; F33-Y121 HydrophobicContact CE1-CG 3.5Å; F33-Y121 VanDerWaalsContact CE1-CG 3.5Å; F33-W126 HydrophobicContact CE2-CH2 4.22Å; F33-W126 HydrophobicContact CE2-CZ3 4.18Å; F33-W126 HydrophobicContact CZ-CH2 4.13Å; F33-W126 HydrophobicContact CZ-CZ3 4.31Å; F33-I140 HydrophobicContact CE1-CD1 4.4Å
34S88.9Confident86Confident10 Ų1037.4 Ų37.47%0.0719%0.19CC..Hα-helixtrans-61.4-48.2-171.861.20000113R30 S31 Y32 F36 R37 E38 A254R30-S34 PolarHBondContact O-N 2.79Å; S31-S34 VanDerWaalsContact O-CB 3.25Å; S31-S34 WeakPolarHBondContact O-CB 3.48Å; S31-S34 PolarHBondContact O-N 3.5Å; S31-S34 PolarHBondContact O-OG 3.1Å; Y32-S34 VanDerWaalsContact C-N 3.32Å; Y32-S34 PolarHBondContact O-N 2.98Å; S34-F36 PolarHBondContact O-N 3.35Å; S34-R37 PolarHBondContact O-N 3.49Å; S34-E38 WeakPolarHBondContact O-CG 3.27Å; S34-E38 PolarHBondContact O-N 2.69Å; S34-A254 PolarHBondContact OG-N 2.75Å
35Q87.6Confident86Confident61 Ų6140.4 Ų40.429%0.28521%0.206SC..Hα-helixtrans-58.3-51.6-177.7-65.6-176.7-2600112.1R37 D39 M120 Y252Q35-R37 VanDerWaalsContact C-N 3.32Å; Q35-R37 PolarHBondContact O-N 3.03Å; Q35-D39 PolarHBondContact O-N 3.1Å; Q35-M120 HydrophobicContact CB-CE 4.06Å; Q35-M120 VanDerWaalsContact OE1-CE 3.28Å; Q35-Y252 VanDerWaalsContact CD-N 3.34Å
36F89.4Confident86Confident2 Ų233.9 Ų33.91%0.00918%0.182CC..Hα-helixtrans-69.9-29.3179.3-175.8-89000113.1S34 G43 F44 V108 Q113 L117 M120 Y121S34-F36 PolarHBondContact O-N 3.35Å; F36-G43 WeakPolarHBondContact O-CA 3.49Å; F36-F44 HydrophobicContact CD1-CD1 4.27Å; F36-F44 HydrophobicContact CD1-CD2 4.01Å; F36-F44 AromaticContact CD1-CE1 3.85Å; F36-F44 HydrophobicContact CD1-CE1 3.85Å; F36-F44 AromaticContact CD1-CE2 3.58Å; F36-F44 HydrophobicContact CD1-CE2 3.58Å; F36-F44 HydrophobicContact CD1-CG 4.34Å; F36-F44 AromaticContact CD1-CZ 3.49Å; F36-F44 HydrophobicContact CD1-CZ 3.49Å; F36-F44 VanDerWaalsContact CD1-CZ 3.49Å; F36-F44 AromaticContact CE1-CD1 3.92Å; F36-F44 HydrophobicContact CE1-CD1 3.92Å; F36-F44 HydrophobicContact CE1-CD2 4.31Å; F36-F44 AromaticContact CE1-CE1 3.79Å; F36-F44 HydrophobicContact CE1-CE1 3.79Å; F36-F44 HydrophobicContact CE1-CE2 4.2Å; F36-F44 HydrophobicContact CE1-CG 4.18Å; F36-F44 AromaticContact CE1-CZ 3.94Å; F36-F44 HydrophobicContact CE1-CZ 3.94Å; F36-F44 HydrophobicContact CG-CZ 4.5Å; F36-V108 HydrophobicContact CE1-CG1 4.39Å; F36-V108 HydrophobicContact CZ-CG1 3.85Å; F36-Q113 HydrophobicContact CE2-CB 4.41Å; F36-Q113 WeakPolarHBondContact CE2-O 3.23Å; F36-Q113 HydrophobicContact CZ-CB 4.22Å; F36-L117 HydrophobicContact CB-CD1 4.21Å; F36-L117 HydrophobicContact CD1-CD1 3.55Å; F36-L117 HydrophobicContact CD2-CB 4.23Å; F36-L117 HydrophobicContact CD2-CD1 4Å; F36-L117 HydrophobicContact CE1-CB 4.4Å; F36-L117 HydrophobicContact CE1-CD1 3.84Å; F36-L117 HydrophobicContact CE2-CB 3.84Å; F36-L117 HydrophobicContact CE2-CD1 4.27Å; F36-L117 HydrophobicContact CG-CD1 3.63Å; F36-L117 HydrophobicContact CZ-CB 3.94Å; F36-L117 HydrophobicContact CZ-CD1 4.19Å; F36-M120 HydrophobicContact CD2-SD 4.37Å; F36-Y121 HydrophobicContact CB-CE2 3.67Å; F36-Y121 HydrophobicContact CG-CE2 4.46Å; F36-Y121 PolarHBondContact N-OH 3.09Å
37R89.6Confident86.2Confident18 Ų1832.7 Ų32.77%0.06817%0.174CC..Hα-helixtrans-71.8-44.1177-175.6-169.572.8-139.4-8.5112.3R30 F33 S34 Q35 D39 F44 V195 G196 T197 P198R30-R37 VanDerWaalsContact C-NH1 3.31Å; R30-R37 VanDerWaalsContact CA-NH1 3.3Å; R30-R37 PolarHBondContact O-NH1 2.92Å; F33-R37 WeakPolarHBondContact O-CB 3.46Å; F33-R37 PolarHBondContact O-N 3.11Å; S34-R37 PolarHBondContact O-N 3.49Å; Q35-R37 VanDerWaalsContact C-N 3.32Å; Q35-R37 PolarHBondContact O-N 3.03Å; R37-D39 VanDerWaalsContact C-N 3.32Å; R37-F44 HydrophobicContact CB-CD2 4.32Å; R37-F44 HydrophobicContact CB-CE2 4.29Å; R37-V195 WeakPolarHBondContact CD-O 3.22Å; R37-G196 WeakPolarHBondContact CG-O 3.37Å; R37-T197 WeakPolarHBondContact CD-O 3.36Å; R37-P198 HydrophobicContact CG-CB 4.35Å
38E87.1Confident86.4Confident58 Ų5833.2 Ų33.227%0.27117%0.174SC..Hα-helixtrans-80.8-13.5-173.5-65-54.1147.200113.6S34 R40 L199 R200S34-E38 WeakPolarHBondContact O-CG 3.27Å; S34-E38 PolarHBondContact O-N 2.69Å; E38-R40 PolarHBondContact O-N 2.98Å; E38-L199 WeakPolarHBondContact OE1-CB 3.36Å; E38-L199 PolarHBondContact OE1-N 2.98Å; E38-L199 PolarHBondContact OE2-N 2.84Å; E38-R200 PolarHBondContact O-NH1 3.24Å; E38-R200 VanDerWaalsContact O-NH1 3.1Å
39D83.5Confident86.5Confident46 Ų4631.5 Ų31.525%0.24617%0.167CC..  trans-53.4137.5178.1-168.56.4000112.3Q35 R37 G41 R116Q35-D39 PolarHBondContact O-N 3.1Å; R37-D39 VanDerWaalsContact C-N 3.32Å; D39-G41 PolarHBondContact OD1-N 3.12Å; D39-R116 IonicContact OD2-CZ 3.58Å; D39-R116 IonicContact OD2-NH1 2.64Å; D39-R116 PolarHBondContact OD2-NH1 3.37Å
40R71.6Confident86.4Confident235 Ų23538.5 Ų38.589%0.88719%0.193SC*.SBendtrans-79.7-24.4176.6-64.1-172.4-176.6-1355.4111.4E38E38-R40 PolarHBondContact O-N 2.98Å
41G66Low86.3Confident57 Ų5740.6 Ų40.659%0.58820%0.203SC*.SBendtrans-81.2-7.8-17700000116D39 Q113D39-G41 PolarHBondContact OD1-N 3.12Å; G41-Q113 PolarHBondContact O-NE2 2.94Å; G41-Q113 VanDerWaalsContact O-NE2 3.16Å
42G67.9Low86.3Confident15 Ų1544.7 Ų44.716%0.15522%0.216CC..  trans143.5102.3172.500000113.9Q113G42-Q113 PolarHBondContact O-OE1 3.14Å
43G82.4Confident86.2Confident19 Ų1949.2 Ų49.220%0.19625%0.246CC..  trans-95.5-158.517500000114.1F36F36-G43 WeakPolarHBondContact O-CA 3.49Å
44F91.1Very high85.9Confident3 Ų351.9 Ų51.91%0.01326%0.259CS..EExtended strand (participates in β ladder)trans-66.5133.7175.8-59.4-75.7000111.5F33 F36 R37 F47 I106 V108 L117 N192F33-F44 HydrophobicContact CB-CE2 3.96Å; F33-F44 HydrophobicContact CB-CZ 4.08Å; F33-F44 HydrophobicContact CD1-CZ 4.21Å; F33-F44 HydrophobicContact CG-CZ 4.19Å; F36-F44 HydrophobicContact CD1-CD1 4.27Å; F36-F44 HydrophobicContact CD1-CD2 4.01Å; F36-F44 AromaticContact CD1-CE1 3.85Å; F36-F44 HydrophobicContact CD1-CE1 3.85Å; F36-F44 AromaticContact CD1-CE2 3.58Å; F36-F44 HydrophobicContact CD1-CE2 3.58Å; F36-F44 HydrophobicContact CD1-CG 4.34Å; F36-F44 AromaticContact CD1-CZ 3.49Å; F36-F44 HydrophobicContact CD1-CZ 3.49Å; F36-F44 VanDerWaalsContact CD1-CZ 3.49Å; F36-F44 AromaticContact CE1-CD1 3.92Å; F36-F44 HydrophobicContact CE1-CD1 3.92Å; F36-F44 HydrophobicContact CE1-CD2 4.31Å; F36-F44 AromaticContact CE1-CE1 3.79Å; F36-F44 HydrophobicContact CE1-CE1 3.79Å; F36-F44 HydrophobicContact CE1-CE2 4.2Å; F36-F44 HydrophobicContact CE1-CG 4.18Å; F36-F44 AromaticContact CE1-CZ 3.94Å; F36-F44 HydrophobicContact CE1-CZ 3.94Å; F36-F44 HydrophobicContact CG-CZ 4.5Å; R37-F44 HydrophobicContact CB-CD2 4.32Å; R37-F44 HydrophobicContact CB-CE2 4.29Å; F44-F47 HydrophobicContact CB-CB 4.11Å; F44-F47 HydrophobicContact CD1-CB 4.17Å; F44-F47 HydrophobicContact CD1-CD1 4Å; F44-F47 HydrophobicContact CD2-CB 4.46Å; F44-F47 HydrophobicContact CD2-CD1 4.18Å; F44-F47 AromaticContact CE1-CD1 3.8Å; F44-F47 HydrophobicContact CE1-CD1 3.8Å; F44-F47 HydrophobicContact CE1-CE1 4.38Å; F44-F47 AromaticContact CE2-CD1 3.97Å; F44-F47 HydrophobicContact CE2-CD1 3.97Å; F44-F47 HydrophobicContact CG-CB 4Å; F44-F47 HydrophobicContact CG-CD1 4.19Å; F44-F47 AromaticContact CZ-CD1 3.77Å; F44-F47 HydrophobicContact CZ-CD1 3.77Å; F44-F47 HydrophobicContact CZ-CE1 4.18Å; F44-I106 HydrophobicContact CD1-CD1 4.23Å; F44-I106 HydrophobicContact CE1-CD1 3.85Å; F44-V108 HydrophobicContact CD1-CG2 4.08Å; F44-L117 HydrophobicContact CE1-CD1 3.81Å; F44-L117 HydrophobicContact CE1-CD2 3.81Å; F44-L117 HydrophobicContact CE1-CG 4.5Å; F44-L117 HydrophobicContact CZ-CD1 3.69Å; F44-L117 HydrophobicContact CZ-CD2 4.49Å; F44-N192 PolarHBondContact O-ND2 3.19Å
45L90.2Very high85.2Confident65 Ų6562.8 Ų62.834%0.3430%0.299SS..EExtended strand (participates in β ladder)trans-72.2-46.4166.7-72.2173.3000110.1T12 S107 R109 N192T12-L45 HydrophobicContact CG2-CD1 3.82Å; L45-S107 PolarHBondContact N-O 2.91Å; L45-R109 HydrophobicContact CD1-CB 4.05Å; L45-R109 HydrophobicContact CD2-CB 4.15Å; L45-R109 HydrophobicContact CG-CB 4Å; L45-N192 WeakPolarHBondContact O-CA 3.41Å; L45-N192 WeakPolarHBondContact O-CB 3.06Å
46C91.2Very high83.9Confident9 Ų963.9 Ų63.96%0.06132%0.318CS..EExtended strand (participates in β ladder)trans-149.5126.7169.9-176.10000110.8I106 S107 E183 L184 N192C46-I106 WeakPolarHBondContact O-CA 3.09Å; C46-S107 WeakPolarHBondContact CB-OG 3.22Å; C46-S107 PolarHBondContact N-O 3.33Å; C46-S107 PolarHBondContact N-OG 3.45Å; C46-S107 PolarHBondContact O-N 2.91Å; C46-E183 PolarHBondContact SG-O 3.29Å; C46-L184 HydrophobicContact CB-CD2 4.32Å; C46-N192 WeakPolarHBondContact CA-O 3.46Å
47F93.9Very high82.1Confident0 Ų068.7 Ų68.70%035%0.35CS..  trans-13794.6166.9-172.6171.9000108.6L29 F33 F44 C104 I106 N192 G193 N194 V195 G196L29-F47 HydrophobicContact CD1-CZ 4.41Å; F33-F47 AromaticContact CD2-CE1 3.66Å; F33-F47 HydrophobicContact CD2-CE1 3.66Å; F33-F47 HydrophobicContact CD2-CZ 4.25Å; F33-F47 AromaticContact CE2-CE1 3.79Å; F33-F47 HydrophobicContact CE2-CE1 3.79Å; F33-F47 HydrophobicContact CE2-CZ 4.04Å; F33-F47 HydrophobicContact CG-CE1 4.31Å; F44-F47 HydrophobicContact CB-CB 4.11Å; F44-F47 HydrophobicContact CD1-CB 4.17Å; F44-F47 HydrophobicContact CD1-CD1 4Å; F44-F47 HydrophobicContact CD2-CB 4.46Å; F44-F47 HydrophobicContact CD2-CD1 4.18Å; F44-F47 AromaticContact CE1-CD1 3.8Å; F44-F47 HydrophobicContact CE1-CD1 3.8Å; F44-F47 HydrophobicContact CE1-CE1 4.38Å; F44-F47 AromaticContact CE2-CD1 3.97Å; F44-F47 HydrophobicContact CE2-CD1 3.97Å; F44-F47 HydrophobicContact CG-CB 4Å; F44-F47 HydrophobicContact CG-CD1 4.19Å; F44-F47 AromaticContact CZ-CD1 3.77Å; F44-F47 HydrophobicContact CZ-CD1 3.77Å; F44-F47 HydrophobicContact CZ-CE1 4.18Å; F47-C104 HydrophobicContact CE2-CB 4.2Å; F47-I106 HydrophobicContact CB-CG2 4Å; F47-I106 HydrophobicContact CD1-CG2 3.97Å; F47-I106 HydrophobicContact CD2-CG2 3.41Å; F47-I106 VanDerWaalsContact CD2-CG2 3.41Å; F47-I106 HydrophobicContact CE1-CG2 4.28Å; F47-I106 HydrophobicContact CE2-CG2 3.78Å; F47-I106 HydrophobicContact CG-CB 4.47Å; F47-I106 HydrophobicContact CG-CG2 3.52Å; F47-I106 HydrophobicContact CZ-CG2 4.2Å; F47-N192 PolarHBondContact N-O 3.1Å; F47-G193 CarbonylContact O-C 3.48Å; F47-G193 WeakPolarHBondContact O-CA 3.2Å; F47-N194 PolarHBondContact O-N 2.91Å; F47-N194 PolarHBondContact O-OD1 3.24Å; F47-V195 HydrophobicContact CB-CB 4.34Å; F47-V195 HydrophobicContact CD1-CB 3.96Å; F47-V195 HydrophobicContact CD1-CG1 3.6Å; F47-V195 HydrophobicContact CD2-CB 3.92Å; F47-V195 HydrophobicContact CD2-CG1 4.35Å; F47-V195 HydrophobicContact CD2-CG2 4.31Å; F47-V195 HydrophobicContact CE1-CB 4.25Å; F47-V195 HydrophobicContact CE1-CG1 3.63Å; F47-V195 HydrophobicContact CE2-CB 4.19Å; F47-V195 HydrophobicContact CE2-CG1 4.36Å; F47-V195 HydrophobicContact CE2-CG2 4.25Å; F47-V195 HydrophobicContact CG-CB 3.79Å; F47-V195 HydrophobicContact CG-CG1 3.99Å; F47-V195 HydrophobicContact CZ-CB 4.36Å; F47-V195 HydrophobicContact CZ-CG1 4.02Å; F47-V195 PolarHBondContact O-N 2.9Å; F47-V195 VanDerWaalsContact O-N 3.09Å; F47-G196 PolarHBondContact O-N 3.48Å; F47-G196 VanDerWaalsContact O-N 3.08Å
48H92.8Very high79.6Confident23 Ų2374 Ų7411%0.10639%0.387CS..  trans-114.8105.1175.9-173.968.1000112R50 C104 P182 E183 P186 N194H48-R50 WeakPolarHBondContact NE2-CG 3.26Å; H48-C104 PolarHBondContact O-SG 3.2Å; H48-P182 PolarHBondContact CD2-O 3.06Å; H48-E183 WeakPolarHBondContact CB-O 3.38Å; H48-P186 HydrophobicContact CB-CB 4.24Å; H48-N194 VanDerWaalsContact CA-OD1 3.22Å; H48-N194 WeakPolarHBondContact CA-OD1 3.35Å; H48-N194 PolarHBondContact ND1-OD1 3.09Å
49Y92.8Very high77.3Confident7 Ų780.2 Ų80.23%0.02742%0.416CS..  trans-85.5128.5-176.5-179.4-117.8000112.8I20 L29 H51 C102 C104 N194I20-Y49 HydrophobicContact CD1-CD2 4.2Å; I20-Y49 HydrophobicContact CD1-CE2 3.81Å; I20-Y49 HydrophobicContact CG2-CE2 4.27Å; L29-Y49 HydrophobicContact CD1-CD1 3.66Å; L29-Y49 HydrophobicContact CD1-CD2 3.89Å; L29-Y49 HydrophobicContact CD1-CE1 3.99Å; L29-Y49 HydrophobicContact CD1-CE2 4.23Å; L29-Y49 HydrophobicContact CD1-CG 3.58Å; Y49-H51 AromaticContact CE1-CD2 3.74Å; Y49-H51 AromaticContact CE1-CE1 3.68Å; Y49-H51 AromaticContact CE1-CG 3.8Å; Y49-H51 AromaticContact CE1-ND1 3.76Å; Y49-H51 AromaticContact CE1-NE2 3.68Å; Y49-H51 AromaticContact CZ-CG 3.99Å; Y49-H51 AromaticContact CZ-ND1 3.88Å; Y49-H51 PolarHBondContact OH-ND1 2.98Å; Y49-C102 HydrophobicContact CE2-CB 4.19Å; Y49-C102 VanDerWaalsContact OH-CB 3.29Å; Y49-C102 WeakPolarHBondContact OH-CB 3.27Å; Y49-C104 HydrophobicContact CD2-CB 4.03Å; Y49-N194 PolarHBondContact N-OD1 2.99Å; Y49-N194 PolarHBondContact O-ND2 3.33Å; Y49-N194 VanDerWaalsContact O-ND2 3.07Å
50R88.1Confident74.8Confident146 Ų14682.6 Ų82.655%0.55144%0.441SS*.  trans-128.426.7-177.6-68.3-168.564.8168.4-2.8115.6H48 R52H48-R50 WeakPolarHBondContact NE2-CG 3.26Å; R50-R52 PolarHBondContact O-N 3.26Å
51H88.6Confident72.7Confident56 Ų5675.2 Ų75.226%0.25943%0.43SS..  trans49.840.5179.9-71.4-88.8000113.8L24 R25 Y49 P53L24-H51 PolarHBondContact O-CE1 2.87Å; R25-H51 WeakPolarHBondContact CD-NE2 3.35Å; R25-H51 PolarHBondContact NH1-NE2 2.9Å; Y49-H51 AromaticContact CE1-CD2 3.74Å; Y49-H51 AromaticContact CE1-CE1 3.68Å; Y49-H51 AromaticContact CE1-CG 3.8Å; Y49-H51 AromaticContact CE1-ND1 3.76Å; Y49-H51 AromaticContact CE1-NE2 3.68Å; Y49-H51 AromaticContact CZ-CG 3.99Å; Y49-H51 AromaticContact CZ-ND1 3.88Å; Y49-H51 PolarHBondContact OH-ND1 2.98Å; H51-P53 WeakPolarHBondContact O-CD 3.46Å
52R88.9Confident71.3Confident100 Ų10078.2 Ų78.238%0.37744%0.44SS..EExtended strand (participates in β ladder)trans-67.6122.9175.6177.2-175.3-67.3-1202.8108.6R50 C102 C103 E183R50-R52 PolarHBondContact O-N 3.26Å; R52-C102 CarbonylContact O-C 3.34Å; R52-C102 WeakPolarHBondContact O-CA 3.46Å; R52-C102 WeakPolarHBondContact O-CB 3.17Å; R52-C103 PolarHBondContact O-N 3.41Å; R52-E183 IonicContact CZ-OE1 3.21Å; R52-E183 IonicContact NE-OE1 2.69Å; R52-E183 PolarHBondContact NE-OE1 3.29Å; R52-E183 IonicContact NH2-OE1 2.92Å; R52-E183 PolarHBondContact NH2-OE1 3.06Å
53P86.9Confident69.5Low102 Ų10285.2 Ų85.266%0.66247%0.474SS*.EExtended strand (participates in β ladder)trans-68.7137.517927.6-33.5000110.9H51H51-P53 WeakPolarHBondContact O-CD 3.46Å
54E84.7Confident67.1Low58 Ų5890 Ų9027%0.27150%0.504SS..PPolyproline II helixtrans-79.7130.3172.5-170.4172.5-171.400109.2S18 G19 A56 T101 C103S18-E54 WeakPolarHBondContact CB-OE1 3.43Å; G19-E54 PolarHBondContact N-OE2 2.99Å; E54-A56 PolarHBondContact O-N 3.45Å; E54-T101 WeakPolarHBondContact CB-OG1 3.42Å; E54-T101 PolarHBondContact N-O 3.2Å; E54-T101 PolarHBondContact OE2-OG1 3.31Å; E54-C103 HydrophobicContact CB-CB 4.45Å
55R75.7Confident64.3Low239 Ų23994.2 Ų94.290%0.90254%0.54SS*.  trans-75.7113.9170.1-84-175.8175.7168.8-0.8107.8
56A59.2Low61.5Low83 Ų8399.4 Ų99.469%0.68657%0.567SS**  trans-52133.7170.400000109.3E54E54-A56 PolarHBondContact O-N 3.45Å
57P52.2Low58.5Low104 Ų104105.2 Ų105.268%0.67560%0.602SS**  trans-57.2137.2167.511-10.5000107.9Q59P57-Q59 PolarHBondContact O-N 3.38Å
58P37.3Very low55.5Low130 Ų130111.1 Ų111.184%0.84464%0.64SS**  trans-57.8109.8175.823.4-31.1000107.6A60P58-A60 PolarHBondContact O-N 2.81Å
59Q37.9Very low52.4Low188 Ų188116 Ų11688%0.87967%0.672SS**PPolyproline II helixtrans-59.4125.5171.1-73.3-160.3-1100107.1P57 A61P57-Q59 PolarHBondContact O-N 3.38Å; Q59-A61 PolarHBondContact O-N 3.44Å
60A31.5Very low49.4Very low95 Ų95123 Ų12379%0.78571%0.71SS**PPolyproline II helixtrans-54124.9168.800000107.4P58P58-A60 PolarHBondContact O-N 2.81Å
61A28.2Very low47.2Very low80 Ų80121.4 Ų121.466%0.66172%0.719SS**PPolyproline II helixtrans-49.5136.9179.400000109.8Q59 N63Q59-A61 PolarHBondContact O-N 3.44Å; A61-N63 PolarHBondContact O-N 2.79Å; A61-N63 VanDerWaalsContact O-N 3.09Å
62P36.4Very low44.3Very low120 Ų120123.3 Ų123.378%0.77974%0.744SS**PPolyproline II helixtrans-59.6121.2169.525.4-31000107.4S64P62-S64 PolarHBondContact O-N 3.31Å
63N29.1Very low41.4Very low163 Ų163123.5 Ų123.587%0.87277%0.767SS**  trans-45.6115.9176.7-74.2-31.1000109.2A61 A65A61-N63 PolarHBondContact O-N 2.79Å; A61-N63 VanDerWaalsContact O-N 3.09Å; N63-A65 PolarHBondContact O-N 2.97Å
64S32.6Very low38.5Very low119 Ų119122 Ų12283%0.83277%0.769SS**  trans-56.7105.1170.2-55.70000108.3P62 L66P62-S64 PolarHBondContact O-N 3.31Å; S64-L66 PolarHBondContact O-N 3.07Å
65A32.2Very low35.8Very low92 Ų92125 Ų12576%0.7680%0.797SS**  trans-66.9126163.500000107.6N63 T67N63-A65 PolarHBondContact O-N 2.97Å; A65-T67 PolarHBondContact O-N 3.19Å
66L30.9Very low33.5Very low174 Ų174122.2 Ų122.291%0.91179%0.794SS**  trans-52.7127.9175.7-69.3134.1000111.1S64S64-L66 PolarHBondContact O-N 3.07Å
67T28.9Very low32Very low131 Ų131125.7 Ų125.780%0.80480%0.8SS**  trans-118.2125.7152.751.20000108.1A65A65-T67 PolarHBondContact O-N 3.19Å
68P31.3Very low30.8Very low124 Ų124128.2 Ų128.281%0.80581%0.807SS**  trans-75.2150.2-175.531.2-33000111.7
69T28.1Very low30.3Very low124 Ų124126.2 Ų126.276%0.76180%0.802SS**  trans-61.1139.2173.146.50000112.3
70D29.6Very low29.8Very low154 Ų154125.7 Ų125.782%0.82480%0.799SS**  -176161.6103.1-98.8-8.8000114.1
71P41.5Very low29.5Very low114 Ų114127.4 Ų127.474%0.7480%0.801SS**  trans-112.4163.3-154.540.8-31000113.1
72A27Very low29.4Very low95 Ų95128.7 Ų128.779%0.78581%0.805SS**  trans175.7138138.300000113.5
73A29.1Very low28.9Very low104 Ų104127 Ų12786%0.8680%0.801SS**  trans71.7115.7141.800000121.1
74G25.5Very low28.8Very low70 Ų70125.6 Ų125.672%0.72280%0.798SS**  109.2106107.600000118.6
75S27Very low28.5Very low122 Ų122127.4 Ų127.485%0.85380%0.799SS**  trans76.1122.5138-65.60000122.5
76Q28.2Very low28.3Very low181 Ų181128.5 Ų128.585%0.84680%0.796SS**  trans-13.2140.4141.4-71.4155.1-29.100116.7
77L27.4Very low28.1Very low155 Ų155132 Ų13281%0.81280%0.797SS**  173.6162.289.3-152.3127.6000111.9
78L27.4Very low28.1Very low157 Ų157131.1 Ų131.182%0.82279%0.793SS**  trans-59.3156.2179.7-72.6129.4000117.4
79A27.2Very low28Very low88 Ų88133.7 Ų133.773%0.72780%0.8SS**  trans151.3111.9133.900000110.3
80Q26.2Very low28.1Very low177 Ų177132.8 Ų132.883%0.82780%0.798SS**  75.4128.289.2-84.2-168.72.100116.7
81T24.8Very low28.3Very low132 Ų132131.3 Ų131.381%0.8180%0.795SS**  trans68146.1158.6640000117.2
82S26.6Very low27.8Very low107 Ų107137.5 Ų137.575%0.74880%0.803SS**  cis-175.2159.9-1.539.80000108
83A25.9Very low27.9Very low85 Ų85140.7 Ų140.770%0.70281%0.807SS**  trans83.3117.9152.600000120.7
84T28.2Very low28.1Very low133 Ų133141.2 Ų141.282%0.81680%0.804SS**  trans40.2114.5138.950.60000119.6
85D25Very low28.5Very low156 Ų156141.7 Ų141.783%0.83480%0.802SS**  -174152.3106.2-132.8-15.5000113.7
86V28Very low29.1Very low116 Ų116141.6 Ų141.670%0.70380%0.798SS**  trans25.8118.7162.8-158.50000120.6
87R27.2Very low29.8Very low246 Ų246140.3 Ų140.393%0.92880%0.795SS**  trans-102.7118159.3-78.5-176.3175.3175.4-0.5111
88P29.7Very low31.2Very low113 Ų113141.8 Ų141.873%0.73480%0.798SS**  trans-83.3142.2148.23.614.8000109.9S90P88-S90 PolarHBondContact O-N 2.87Å
89L29.3Very low33.1Very low179 Ų179137.8 Ų137.894%0.93778%0.781SS**  trans-57.6110.4178.2-16969.2000110.6
90S30Very low35.8Very low105 Ų105143.6 Ų143.673%0.73478%0.784SS**  trans-88.5115.4174.2-164.80000109.4P88 R92P88-S90 PolarHBondContact O-N 2.87Å; S90-R92 PolarHBondContact O-N 2.93Å
91T32.3Very low38.8Very low122 Ų122137.1 Ų137.175%0.74876%0.756SS**  trans-44.4111.9166.4410000110.6D93T91-D93 PolarHBondContact O-N 3.29Å
92R32.8Very low42Very low245 Ų245131.2 Ų131.293%0.92572%0.72SS**  trans-76107.5170-86-176.1162.7177.9-4.3109S90 S94S90-R92 PolarHBondContact O-N 2.93Å; R92-S94 PolarHBondContact O-N 3.13Å
93D28.4Very low45.1Very low161 Ų161127.2 Ų127.286%0.86169%0.692SS**  trans-45115.4160-73.3-43.6000110.7T91 A95T91-D93 PolarHBondContact O-N 3.29Å; D93-A95 PolarHBondContact O-N 3.37Å
94S32.6Very low48.3Very low115 Ų115123.2 Ų123.280%0.80466%0.659SS**  trans-74.6107.717346.20000110R92R92-S94 PolarHBondContact O-N 3.13Å
95A33.5Very low51.4Low80 Ų80117.7 Ų117.766%0.66163%0.625SS**  trans-57.3144.1163.900000110.4D93 I97D93-A95 PolarHBondContact O-N 3.37Å; A95-I97 PolarHBondContact O-N 3.1Å; A95-I97 VanDerWaalsContact O-N 3.15Å
96P40.1Very low54.7Low120 Ų120110.2 Ų110.278%0.77959%0.585SS**  trans-65118.2-17726-33.2000110.4Q98P96-Q98 PolarHBondContact O-N 2.75Å
97I44.1Very low57.7Low154 Ų154105.2 Ų105.279%0.7956%0.555SS**  trans-62.7107.2173.9-60.1170.4000107.5A95 T99A95-I97 PolarHBondContact O-N 3.1Å; A95-I97 VanDerWaalsContact O-N 3.15Å; I97-T99 HydrophobicContact CG2-CG2 4.4Å; I97-T99 PolarHBondContact O-N 2.82Å
98Q56.1Low60.8Low186 Ų18693.5 Ų93.587%0.86951%0.511SS*.  trans-66.7101.5170.5-74.1-179.2-300108.8P96 R100P96-Q98 PolarHBondContact O-N 2.75Å; Q98-R100 PolarHBondContact O-N 3.07Å
99T66.4Low63.7Low74 Ų7493.2 Ų93.245%0.45450%0.495SS..PPolyproline II helixtrans-73.8120.8176.152.70000109.4I97 T101 P135I97-T99 HydrophobicContact CG2-CG2 4.4Å; I97-T99 PolarHBondContact O-N 2.82Å; T99-T101 PolarHBondContact O-N 2.94Å; T99-P135 HydrophobicContact CG2-CG 3.82Å
100R84.8Confident66.5Low209 Ų20985.2 Ų85.279%0.78946%0.456SS*.PPolyproline II helixtrans-70124.9175.1-69.9-177.4171.2172.4-1.4109.1S22 Q98S22-R100 VanDerWaalsContact CB-O 3.23Å; S22-R100 WeakPolarHBondContact CB-O 3.23Å; S22-R100 PolarHBondContact N-O 2.8Å; S22-R100 VanDerWaalsContact N-O 3.08Å; S22-R100 PolarHBondContact OG-O 3.01Å; Q98-R100 PolarHBondContact O-N 3.07Å
101T89.8Confident69.3Low41 Ų4184 Ų8425%0.25244%0.441SS..EExtended strand (participates in β ladder)trans-103154.5175.262.70000111.8I20 E54 T99I20-T101 CarbonylContact O-C 3.47Å; I20-T101 VanDerWaalsContact O-CA 3.31Å; I20-T101 WeakPolarHBondContact O-CA 3.26Å; E54-T101 WeakPolarHBondContact CB-OG1 3.42Å; E54-T101 PolarHBondContact N-O 3.2Å; E54-T101 PolarHBondContact OE2-OG1 3.31Å; T99-T101 PolarHBondContact O-N 2.94Å
102C91.5Very high72Confident8 Ų881.8 Ų81.85%0.05444%0.435CS..EExtended strand (participates in β ladder)trans-118.7161.2177.3-67.10000110.4G19 I20 Y49 R52G19-C102 PolarHBondContact N-O 3.45Å; I20-C102 HydrophobicContact CB-CB 4.24Å; I20-C102 WeakPolarHBondContact CB-O 3.38Å; I20-C102 PolarHBondContact N-O 3.49Å; I20-C102 PolarHBondContact O-N 3.36Å; Y49-C102 HydrophobicContact CE2-CB 4.19Å; Y49-C102 VanDerWaalsContact OH-CB 3.29Å; Y49-C102 WeakPolarHBondContact OH-CB 3.27Å; R52-C102 CarbonylContact O-C 3.34Å; R52-C102 WeakPolarHBondContact O-CA 3.46Å; R52-C102 WeakPolarHBondContact O-CB 3.17Å
103C91.7Very high74.6Confident23 Ų2371.7 Ų71.716%0.15540%0.398CS..EExtended strand (participates in β ladder)trans-132.1161.5174.5630000111.7V17 R52 E54V17-C103 CarbonylContact O-C 3.5Å; V17-C103 VanDerWaalsContact O-CA 3.22Å; V17-C103 WeakPolarHBondContact O-CA 3.34Å; R52-C103 PolarHBondContact O-N 3.41Å; E54-C103 HydrophobicContact CB-CB 4.45Å
104C92.4Very high77.6Confident1 Ų164.1 Ų64.11%0.00736%0.358CS..EExtended strand (participates in β ladder)trans-148.1138.4177.7-165.50000110.6V16 V17 I20 F47 H48 Y49 E183V16-C104 WeakPolarHBondContact CA-O 3.43Å; V17-C104 PolarHBondContact N-O 3.2Å; V17-C104 PolarHBondContact O-N 2.95Å; I20-C104 HydrophobicContact CD1-CB 4.29Å; F47-C104 HydrophobicContact CE2-CB 4.2Å; H48-C104 PolarHBondContact O-SG 3.2Å; Y49-C104 HydrophobicContact CD2-CB 4.03Å; C104-E183 WeakPolarHBondContact CA-OE2 3.43Å
105V93.1Very high80.3Confident17 Ų1762.9 Ų62.910%0.10334%0.34CS..EExtended strand (participates in β ladder)trans-86.7135.1168-174.20000108.9V16 L181 E183 L184V16-V105 HydrophobicContact CG2-CG2 4.46Å; V105-L181 HydrophobicContact CG2-CD1 4.23Å; V105-E183 PolarHBondContact N-OE2 3.32Å; V105-L184 HydrophobicContact CG1-CD1 4.38Å
106I94Very high82.9Confident0 Ų061.6 Ų61.60%032%0.318CS..EExtended strand (participates in β ladder)trans-130.5159.3179.365.3168.6000110.4Y14 L15 V17 F44 C46 F47 V108 L117Y14-I106 WeakPolarHBondContact CA-O 3.31Å; L15-I106 HydrophobicContact CB-CD1 4.02Å; L15-I106 HydrophobicContact CB-CG1 3.7Å; L15-I106 HydrophobicContact CD1-CD1 4.2Å; L15-I106 PolarHBondContact N-O 2.92Å; L15-I106 WeakPolarHBondContact O-CG1 3.32Å; L15-I106 PolarHBondContact O-N 3.49Å; V17-I106 HydrophobicContact CG2-CD1 3.7Å; V17-I106 HydrophobicContact CG2-CG1 4.2Å; V17-I106 HydrophobicContact CG2-CG2 4.23Å; F44-I106 HydrophobicContact CD1-CD1 4.23Å; F44-I106 HydrophobicContact CE1-CD1 3.85Å; C46-I106 WeakPolarHBondContact O-CA 3.09Å; F47-I106 HydrophobicContact CB-CG2 4Å; F47-I106 HydrophobicContact CD1-CG2 3.97Å; F47-I106 HydrophobicContact CD2-CG2 3.41Å; F47-I106 VanDerWaalsContact CD2-CG2 3.41Å; F47-I106 HydrophobicContact CE1-CG2 4.28Å; F47-I106 HydrophobicContact CE2-CG2 3.78Å; F47-I106 HydrophobicContact CG-CB 4.47Å; F47-I106 HydrophobicContact CG-CG2 3.52Å; F47-I106 HydrophobicContact CZ-CG2 4.2Å; I106-V108 HydrophobicContact CD1-CG2 4.47Å; I106-L117 HydrophobicContact CD1-CD2 3.61Å
107S92.4Very high85.3Confident10 Ų1055.9 Ų55.97%0.0728%0.28CS..EExtended strand (participates in β ladder)trans-127.7138.7174.5580000111.2V13 L45 C46V13-S107 WeakPolarHBondContact O-CA 3.47Å; L45-S107 PolarHBondContact N-O 2.91Å; C46-S107 WeakPolarHBondContact CB-OG 3.22Å; C46-S107 PolarHBondContact N-O 3.33Å; C46-S107 PolarHBondContact N-OG 3.45Å; C46-S107 PolarHBondContact O-N 2.91Å
108V92.3Very high87.5Confident0 Ų051.2 Ų51.20%026%0.257CS..EExtended strand (participates in β ladder)trans-133149.2-176.4-177.10000109.1V13 L15 F36 F44 I106 Q113 L117V13-V108 PolarHBondContact N-O 3.41Å; V13-V108 PolarHBondContact O-N 2.88Å; L15-V108 HydrophobicContact CD1-CG2 3.99Å; F36-V108 HydrophobicContact CE1-CG1 4.39Å; F36-V108 HydrophobicContact CZ-CG1 3.85Å; F44-V108 HydrophobicContact CD1-CG2 4.08Å; I106-V108 HydrophobicContact CD1-CG2 4.47Å; V108-Q113 HydrophobicContact CG1-CB 3.58Å; V108-L117 HydrophobicContact CG2-CD2 4.28Å
109R90.4Very high89.1Confident107 Ų10750.7 Ų50.740%0.40425%0.247SC..EExtended strand (participates in β ladder)trans-81118.2-179.6-171.1-179168.1122.31.9110.4E10 L45 Q113E10-R109 HydrophobicContact CB-CG 3.92Å; E10-R109 IonicContact OE1-CZ 3.38Å; E10-R109 IonicContact OE1-NE 3.18Å; E10-R109 PolarHBondContact OE1-NE 3.01Å; E10-R109 VanDerWaalsContact OE1-NE 3.14Å; E10-R109 IonicContact OE1-NH2 2.75Å; E10-R109 PolarHBondContact OE1-NH2 3.05Å; E10-R109 WeakPolarHBondContact OE2-CD 3.45Å; E10-R109 VanDerWaalsContact OE2-CG 3.26Å; E10-R109 WeakPolarHBondContact OE2-CG 3.45Å; E10-R109 IonicContact OE2-CZ 3.76Å; E10-R109 IonicContact OE2-NE 2.8Å; E10-R109 PolarHBondContact OE2-NE 3.27Å; E10-R109 IonicContact OE2-NH2 3.85Å; L45-R109 HydrophobicContact CD1-CB 4.05Å; L45-R109 HydrophobicContact CD2-CB 4.15Å; L45-R109 HydrophobicContact CG-CB 4Å; R109-Q113 VanDerWaalsContact O-CB 3.31Å; R109-Q113 WeakPolarHBondContact O-CB 3.39Å; R109-Q113 WeakPolarHBondContact O-CG 3.35Å
110G88.9Confident90.1Very high11 Ų1148 Ų4811%0.11323%0.229CC..Hα-helixtrans72.5164.3175.900000115.3A11 A114A11-G110 VanDerWaalsContact O-CA 3.27Å; A11-G110 WeakPolarHBondContact O-CA 3.37Å; A11-G110 PolarHBondContact O-N 3.46Å; G110-A114 PolarHBondContact O-N 2.91Å
111L88Confident90.4Very high80 Ų8038 Ų3842%0.41919%0.192SC..Hα-helixtrans-74.8-35.3179.3-172.370.8000112.5A114 Q115L111-A114 PolarHBondContact O-N 2.91Å; L111-Q115 HydrophobicContact CG-CG 4.41Å; L111-Q115 WeakPolarHBondContact O-CG 3.43Å; L111-Q115 PolarHBondContact O-N 3.13Å
112A88.5Confident90.5Very high75 Ų7538.3 Ų38.362%0.6220%0.196SC*.Hα-helixtrans-60.5-49.1-178.400000111.4A114 Q115 R116A112-A114 VanDerWaalsContact C-N 3.35Å; A112-A114 PolarHBondContact O-N 3.3Å; A112-Q115 PolarHBondContact O-N 3.41Å; A112-R116 PolarHBondContact O-N 2.7Å
113Q88.4Confident90.2Very high33 Ų3339 Ų3915%0.15420%0.204CC..Hα-helixtrans-67-36177.5-62.6-61.8-9.900112.3F36 G41 G42 V108 R109 R116 L117F36-Q113 HydrophobicContact CE2-CB 4.41Å; F36-Q113 WeakPolarHBondContact CE2-O 3.23Å; F36-Q113 HydrophobicContact CZ-CB 4.22Å; G41-Q113 PolarHBondContact O-NE2 2.94Å; G41-Q113 VanDerWaalsContact O-NE2 3.16Å; G42-Q113 PolarHBondContact O-OE1 3.14Å; V108-Q113 HydrophobicContact CG1-CB 3.58Å; R109-Q113 VanDerWaalsContact O-CB 3.31Å; R109-Q113 WeakPolarHBondContact O-CB 3.39Å; R109-Q113 WeakPolarHBondContact O-CG 3.35Å; Q113-R116 PolarHBondContact O-N 3.15Å; Q113-L117 PolarHBondContact O-N 2.81Å
114A89.7Confident90.1Very high3 Ų338.2 Ų38.23%0.02520%0.198CC..Hα-helixtrans-61.6-44.4173.600000111.6V13 L15 G110 L111 A112 L117 L118V13-A114 HydrophobicContact CB-CB 4.1Å; V13-A114 HydrophobicContact CG1-CB 3.88Å; L15-A114 HydrophobicContact CD1-CB 4.11Å; L15-A114 HydrophobicContact CD2-CB 4.34Å; G110-A114 PolarHBondContact O-N 2.91Å; L111-A114 PolarHBondContact O-N 2.91Å; A112-A114 VanDerWaalsContact C-N 3.35Å; A112-A114 PolarHBondContact O-N 3.3Å; A114-L117 PolarHBondContact O-N 3.47Å; A114-L118 WeakPolarHBondContact O-CD1 3.4Å; A114-L118 PolarHBondContact O-N 3.08Å; A114-L118 VanDerWaalsContact O-N 3.1Å
115Q89.7Confident90Very high89 Ų8943.6 Ų43.642%0.41622%0.218SC..Hα-helixtrans-64.5-40.8175.9-73.4178.3-6.600112L111 A112 L118 R119L111-Q115 HydrophobicContact CG-CG 4.41Å; L111-Q115 WeakPolarHBondContact O-CG 3.43Å; L111-Q115 PolarHBondContact O-N 3.13Å; A112-Q115 PolarHBondContact O-N 3.41Å; Q115-L118 WeakPolarHBondContact O-CB 3.2Å; Q115-L118 PolarHBondContact O-N 2.85Å; Q115-R119 WeakPolarHBondContact O-CG 3.48Å; Q115-R119 PolarHBondContact O-N 2.94Å
116R89.1Confident89.9Confident52 Ų5242.8 Ų42.820%0.19621%0.213CC..Hα-helixtrans-58-50.1174.8-169.1179.8-164.3-157.2-0.2111.5D39 A112 Q113 L118 R119 M120 E246 E248D39-R116 IonicContact OD2-CZ 3.58Å; D39-R116 IonicContact OD2-NH1 2.64Å; D39-R116 PolarHBondContact OD2-NH1 3.37Å; A112-R116 PolarHBondContact O-N 2.7Å; Q113-R116 PolarHBondContact O-N 3.15Å; R116-L118 VanDerWaalsContact C-N 3.28Å; R116-L118 PolarHBondContact O-N 3.27Å; R116-R119 PolarHBondContact O-N 2.93Å; R116-R119 VanDerWaalsContact O-N 3.13Å; R116-M120 HydrophobicContact CG-CG 4.38Å; R116-M120 HydrophobicContact CG-SD 4.03Å; R116-M120 WeakPolarHBondContact O-CG 3.46Å; R116-M120 PolarHBondContact O-N 3.48Å; R116-E246 IonicContact NH2-OE2 3.3Å; R116-E248 IonicContact CZ-OE1 3.01Å; R116-E248 IonicContact NE-OE1 3.75Å; R116-E248 PolarHBondContact NE-OE1 2.73Å; R116-E248 IonicContact NH2-OE1 3.08Å; R116-E248 PolarHBondContact NH2-OE1 3.23Å
117L90.6Very high89.6Confident0 Ų043.4 Ų43.40%022%0.216CC..Hα-helixtrans-56.9-42.2176.3-175.777.6000112L15 F33 F36 F44 I106 V108 Q113 A114 M120 Y121 I140L15-L117 HydrophobicContact CD1-CD2 3.66Å; F33-L117 HydrophobicContact CD1-CD1 4.32Å; F36-L117 HydrophobicContact CB-CD1 4.21Å; F36-L117 HydrophobicContact CD1-CD1 3.55Å; F36-L117 HydrophobicContact CD2-CB 4.23Å; F36-L117 HydrophobicContact CD2-CD1 4Å; F36-L117 HydrophobicContact CE1-CB 4.4Å; F36-L117 HydrophobicContact CE1-CD1 3.84Å; F36-L117 HydrophobicContact CE2-CB 3.84Å; F36-L117 HydrophobicContact CE2-CD1 4.27Å; F36-L117 HydrophobicContact CG-CD1 3.63Å; F36-L117 HydrophobicContact CZ-CB 3.94Å; F36-L117 HydrophobicContact CZ-CD1 4.19Å; F44-L117 HydrophobicContact CE1-CD1 3.81Å; F44-L117 HydrophobicContact CE1-CD2 3.81Å; F44-L117 HydrophobicContact CE1-CG 4.5Å; F44-L117 HydrophobicContact CZ-CD1 3.69Å; F44-L117 HydrophobicContact CZ-CD2 4.49Å; I106-L117 HydrophobicContact CD1-CD2 3.61Å; V108-L117 HydrophobicContact CG2-CD2 4.28Å; Q113-L117 PolarHBondContact O-N 2.81Å; A114-L117 PolarHBondContact O-N 3.47Å; L117-M120 PolarHBondContact O-N 2.92Å; L117-Y121 HydrophobicContact CD1-CD2 3.55Å; L117-Y121 HydrophobicContact CD1-CE2 3.89Å; L117-Y121 HydrophobicContact CG-CD2 4.31Å; L117-Y121 PolarHBondContact O-N 3.15Å; L117-I140 HydrophobicContact CD2-CD1 4.16Å; L117-I140 HydrophobicContact CD2-CG2 4.43Å; L117-I140 HydrophobicContact CG-CD1 3.98Å
118L90.5Very high89.2Confident56 Ų5645 Ų4529%0.29322%0.224SC..Hα-helixtrans-61.8-46.2177-94.775000111.5L15 A114 Q115 R116 S122 I140L15-L118 HydrophobicContact CD1-CD1 3.94Å; L15-L118 HydrophobicContact CD2-CD1 3.97Å; A114-L118 WeakPolarHBondContact O-CD1 3.4Å; A114-L118 PolarHBondContact O-N 3.08Å; A114-L118 VanDerWaalsContact O-N 3.1Å; Q115-L118 WeakPolarHBondContact O-CB 3.2Å; Q115-L118 PolarHBondContact O-N 2.85Å; R116-L118 VanDerWaalsContact C-N 3.28Å; R116-L118 PolarHBondContact O-N 3.27Å; L118-S122 WeakPolarHBondContact O-CB 3.42Å; L118-S122 PolarHBondContact O-N 3.25Å; L118-I140 HydrophobicContact CD1-CB 4.27Å; L118-I140 HydrophobicContact CD1-CG2 3.6Å; L118-I140 HydrophobicContact CG-CB 4.29Å; L118-I140 HydrophobicContact CG-CG2 4.16Å
119R89.3Confident88.4Confident176 Ų17647 Ų4766%0.66424%0.238SC*.Hα-helixtrans-63.7-42.2177.8-68.7178.2-166.8154.83.5111.8Q115 R116Q115-R119 WeakPolarHBondContact O-CG 3.48Å; Q115-R119 PolarHBondContact O-N 2.94Å; R116-R119 PolarHBondContact O-N 2.93Å; R116-R119 VanDerWaalsContact O-N 3.13Å
120M87.6Confident87.8Confident16 Ų1649 Ų498%0.07925%0.252CS..Hα-helixtrans-70.3-40.6-178-70.6-177.481.500112.6Q35 F36 R116 L117 R124 V251Q35-M120 HydrophobicContact CB-CE 4.06Å; Q35-M120 VanDerWaalsContact OE1-CE 3.28Å; F36-M120 HydrophobicContact CD2-SD 4.37Å; R116-M120 HydrophobicContact CG-CG 4.38Å; R116-M120 HydrophobicContact CG-SD 4.03Å; R116-M120 WeakPolarHBondContact O-CG 3.46Å; R116-M120 PolarHBondContact O-N 3.48Å; L117-M120 PolarHBondContact O-N 2.92Å; M120-R124 WeakPolarHBondContact O-CD 3.32Å; M120-R124 VanDerWaalsContact O-CZ 3.32Å; M120-R124 PolarHBondContact O-NE 3.09Å; M120-R124 PolarHBondContact O-NH2 3.25Å; M120-V251 HydrophobicContact CB-CG2 4.09Å; M120-V251 HydrophobicContact CE-CG2 4.01Å; M120-V251 HydrophobicContact CG-CG2 4.35Å
121Y90.6Very high87.3Confident0 Ų049.4 Ų49.40%026%0.256CS..Hα-helixtrans-122.6-18.3-167.5-63.1-79.4000115.6Y32 F33 F36 L117 G123 R124 C138 V251 I259Y32-Y121 AromaticContact CD1-CD1 3.98Å; Y32-Y121 HydrophobicContact CD1-CD1 3.98Å; Y32-Y121 HydrophobicContact CD1-CE1 4.26Å; Y32-Y121 AromaticContact CE1-CD1 3.54Å; Y32-Y121 HydrophobicContact CE1-CD1 3.54Å; Y32-Y121 HydrophobicContact CE1-CE1 4.22Å; Y32-Y121 HydrophobicContact CE1-CG 4.39Å; Y32-Y121 WeakPolarHBondContact O-CE1 3.38Å; F33-Y121 AromaticContact CD1-CD1 3.69Å; F33-Y121 HydrophobicContact CD1-CD1 3.69Å; F33-Y121 AromaticContact CD1-CD2 3.74Å; F33-Y121 HydrophobicContact CD1-CD2 3.74Å; F33-Y121 AromaticContact CD1-CE1 3.81Å; F33-Y121 HydrophobicContact CD1-CE1 3.81Å; F33-Y121 AromaticContact CD1-CE2 3.85Å; F33-Y121 HydrophobicContact CD1-CE2 3.85Å; F33-Y121 AromaticContact CD1-CG 3.64Å; F33-Y121 HydrophobicContact CD1-CG 3.64Å; F33-Y121 AromaticContact CD1-CZ 3.87Å; F33-Y121 AromaticContact CE1-CD1 3.75Å; F33-Y121 HydrophobicContact CE1-CD1 3.75Å; F33-Y121 AromaticContact CE1-CD2 3.92Å; F33-Y121 HydrophobicContact CE1-CD2 3.92Å; F33-Y121 HydrophobicContact CE1-CE1 4.34Å; F33-Y121 HydrophobicContact CE1-CE2 4.49Å; F33-Y121 AromaticContact CE1-CG 3.5Å; F33-Y121 HydrophobicContact CE1-CG 3.5Å; F33-Y121 VanDerWaalsContact CE1-CG 3.5Å; F36-Y121 HydrophobicContact CB-CE2 3.67Å; F36-Y121 HydrophobicContact CG-CE2 4.46Å; F36-Y121 PolarHBondContact N-OH 3.09Å; L117-Y121 HydrophobicContact CD1-CD2 3.55Å; L117-Y121 HydrophobicContact CD1-CE2 3.89Å; L117-Y121 HydrophobicContact CG-CD2 4.31Å; L117-Y121 PolarHBondContact O-N 3.15Å; Y121-G123 PolarHBondContact O-N 3.37Å; Y121-R124 PolarHBondContact O-N 3.47Å; Y121-C138 WeakPolarHBondContact O-CB 3.29Å; Y121-V251 HydrophobicContact CD1-CG1 4.12Å; Y121-V251 HydrophobicContact CE1-CG1 3.46Å; Y121-V251 VanDerWaalsContact CE1-CG1 3.46Å; Y121-I259 HydrophobicContact CE1-CD1 4.3Å
122S91Very high87.1Confident48 Ų4849.3 Ų49.334%0.33626%0.259SS..THydrogen-bonded Turntrans-69.6131.5-178.7-1700000111L118 R124L118-S122 WeakPolarHBondContact O-CB 3.42Å; L118-S122 PolarHBondContact O-N 3.25Å; S122-R124 VanDerWaalsContact C-N 3.27Å; S122-R124 PolarHBondContact O-N 3.48Å
123G86.3Confident87Confident22 Ų2252 Ų5223%0.22725%0.253CS..THydrogen-bonded Turntrans84.4-9.4178.500000115.1Y121 R137 C138Y121-G123 PolarHBondContact O-N 3.37Å; G123-R137 PolarHBondContact O-NH1 3.3Å; G123-R137 VanDerWaalsContact O-NH1 3.07Å; G123-C138 PolarHBondContact N-O 3.1Å
124R89.3Confident86.8Confident7 Ų751.8 Ų51.83%0.02625%0.253CS..PPolyproline II helixtrans-72.4152.3175.9-62.5-155.8-171-141.27.1111.2Y32 M120 Y121 S122 R137 C138 E249 I259Y32-R124 WeakPolarHBondContact OH-CB 3.4Å; M120-R124 WeakPolarHBondContact O-CD 3.32Å; M120-R124 VanDerWaalsContact O-CZ 3.32Å; M120-R124 PolarHBondContact O-NE 3.09Å; M120-R124 PolarHBondContact O-NH2 3.25Å; Y121-R124 PolarHBondContact O-N 3.47Å; S122-R124 VanDerWaalsContact C-N 3.27Å; S122-R124 PolarHBondContact O-N 3.48Å; R124-R137 CarbonylContact O-C 3.51Å; R124-R137 WeakPolarHBondContact O-CA 3.31Å; R124-C138 PolarHBondContact O-N 2.87Å; R124-E249 PolarHBondContact NH1-O 2.97Å; R124-E249 PolarHBondContact NH2-O 2.67Å; R124-I259 HydrophobicContact CB-CG2 3.68Å; R124-I259 WeakPolarHBondContact CD-O 3.22Å; R124-I259 HydrophobicContact CG-CG2 4.19Å; R124-I259 PolarHBondContact NH1-O 3.49Å
125R89.8Confident86.5Confident113 Ų11355.3 Ų55.343%0.42628%0.275SS..EExtended strand (participates in β ladder)trans-77.3159.7177.6-70.9179.4168.5-154.46.7110.4Y32 W133 R137Y32-R125 VanDerWaalsContact CE2-O 3.31Å; Y32-R125 WeakPolarHBondContact CE2-O 3.48Å; Y32-R125 PolarHBondContact OH-O 3.07Å; R125-W133 HydrophobicContact CB-CE3 3.53Å; R125-W133 HydrophobicContact CB-CZ3 3.67Å; R125-W133 HydrophobicContact CG-CE3 4.02Å; R125-W133 HydrophobicContact CG-CZ3 3.93Å; R125-R137 HydrophobicContact CG-CG 4.42Å
126W91Very high86.2Confident0 Ų053.1 Ų53.10%028%0.276CS..EExtended strand (participates in β ladder)trans-84.8143.8173.3-66.1109000110.1V17 G19 I20 P21 L24 L29 Y32 F33 L134 R137 C138V17-W126 HydrophobicContact CG1-CH2 4.21Å; V17-W126 HydrophobicContact CG1-CZ2 4.45Å; G19-W126 PolarHBondContact O-NE1 3.32Å; I20-W126 HydrophobicContact CB-CZ2 4.27Å; I20-W126 HydrophobicContact CG1-CH2 3.89Å; I20-W126 HydrophobicContact CG1-CZ2 3.68Å; P21-W126 HydrophobicContact CG-CB 4.02Å; P21-W126 HydrophobicContact CG-CG 3.84Å; L24-W126 HydrophobicContact CD1-CB 4.31Å; L24-W126 HydrophobicContact CD1-CD2 4.04Å; L24-W126 HydrophobicContact CD1-CE3 3.72Å; L24-W126 HydrophobicContact CD1-CG 4.31Å; L24-W126 HydrophobicContact CD1-CZ3 4.37Å; L29-W126 HydrophobicContact CD2-CE3 4.48Å; L29-W126 HydrophobicContact CD2-CH2 4.1Å; L29-W126 HydrophobicContact CD2-CZ3 3.7Å; Y32-W126 HydrophobicContact CD1-CE3 4.23Å; Y32-W126 AromaticContact CD1-CZ3 3.71Å; Y32-W126 HydrophobicContact CD1-CZ3 3.71Å; Y32-W126 HydrophobicContact CD2-CE3 4.05Å; Y32-W126 HydrophobicContact CD2-CZ3 4.33Å; Y32-W126 HydrophobicContact CE1-CE3 4.08Å; Y32-W126 HydrophobicContact CE1-CH2 4.43Å; Y32-W126 AromaticContact CE1-CZ3 3.69Å; Y32-W126 HydrophobicContact CE1-CZ3 3.69Å; Y32-W126 AromaticContact CE2-CE3 3.9Å; Y32-W126 HydrophobicContact CE2-CE3 3.9Å; Y32-W126 HydrophobicContact CE2-CZ3 4.33Å; Y32-W126 HydrophobicContact CG-CE3 4.2Å; Y32-W126 HydrophobicContact CG-CZ3 4.03Å; Y32-W126 AromaticContact CZ-CE3 3.92Å; F33-W126 HydrophobicContact CE2-CH2 4.22Å; F33-W126 HydrophobicContact CE2-CZ3 4.18Å; F33-W126 HydrophobicContact CZ-CH2 4.13Å; F33-W126 HydrophobicContact CZ-CZ3 4.31Å; W126-L134 HydrophobicContact CB-CB 3.9Å; W126-L134 HydrophobicContact CB-CD1 4.41Å; W126-L134 PolarHBondContact O-N 2.78Å; W126-R137 VanDerWaalsContact NE1-C 3.33Å; W126-R137 PolarHBondContact NE1-O 3.47Å; W126-C138 HydrophobicContact CD2-CB 4.41Å; W126-C138 HydrophobicContact CH2-CB 3.82Å; W126-C138 HydrophobicContact CZ2-CB 3.54Å; W126-C138 HydrophobicContact CZ3-CB 4.37Å
127L88.1Confident86.2Confident13 Ų1354.5 Ų54.57%0.06828%0.282CS..EExtended strand (participates in β ladder)trans-114.7146.7174.6-60.2175000109.3T132 W133 T253 I259L127-T132 WeakPolarHBondContact CA-O 3.42Å; L127-W133 HydrophobicContact CD2-CD2 4.23Å; L127-W133 HydrophobicContact CD2-CE3 4.12Å; L127-T253 HydrophobicContact CD1-CG2 3.69Å; L127-I259 HydrophobicContact CD1-CB 4.49Å; L127-I259 HydrophobicContact CD1-CG1 3.83Å
128D83.3Confident86.3Confident43 Ų4354.5 Ų54.523%0.2328%0.282CS..  trans-85.7176.9167.9-158.42.7000111.2H130 G131 T132 L134D128-H130 PolarHBondContact O-N 2.86Å; D128-G131 PolarHBondContact O-N 2.89Å; D128-G131 VanDerWaalsContact O-N 3.09Å; D128-T132 PolarHBondContact N-O 2.84Å; D128-L134 HydrophobicContact CB-CD1 4.2Å; D128-L134 HydrophobicContact CB-CD2 4.41Å; D128-L134 HydrophobicContact CB-CG 4.26Å
129S77.2Confident86.4Confident44 Ų4455 Ų5531%0.30828%0.284SS..THydrogen-bonded Turntrans-59.8-5.7174.454.70000116
130H76.5Confident86.6Confident148 Ų14847 Ų4769%0.68526%0.255SS*.THydrogen-bonded Turntrans-119.215177.9-64.1-69.7000112.2D128 T132D128-H130 PolarHBondContact O-N 2.86Å; H130-T132 HydrophobicContact CB-CG2 4.5Å; H130-T132 PolarHBondContact O-N 3.45Å; H130-T132 VanDerWaalsContact O-N 3.16Å
131G78.1Confident86.7Confident20 Ų2054 Ų5421%0.20628%0.28CS..SBendtrans71.68-178.500000115.8D128 E257D128-G131 PolarHBondContact O-N 2.89Å; D128-G131 VanDerWaalsContact O-N 3.09Å; G131-E257 WeakPolarHBondContact CA-OE1 3.42Å; G131-E257 WeakPolarHBondContact CA-OE2 3.02Å; G131-E257 PolarHBondContact N-OE1 2.76Å; G131-E257 PolarHBondContact N-OE2 2.94Å
132T85.1Confident86.7Confident77 Ų7759 Ų5947%0.47230%0.299SS..PPolyproline II helixtrans-79.3146.3177.5600000111.4L127 D128 H130L127-T132 WeakPolarHBondContact CA-O 3.42Å; D128-T132 PolarHBondContact N-O 2.84Å; H130-T132 HydrophobicContact CB-CG2 4.5Å; H130-T132 PolarHBondContact O-N 3.45Å; H130-T132 VanDerWaalsContact O-N 3.16Å
133W85.9Confident86.5Confident132 Ų13258.8 Ų58.850%0.529%0.294SS..EExtended strand (participates in β ladder)trans-77.5126.5-175.5-56.985.3000112R125 L127 P260R125-W133 HydrophobicContact CB-CE3 3.53Å; R125-W133 HydrophobicContact CB-CZ3 3.67Å; R125-W133 HydrophobicContact CG-CE3 4.02Å; R125-W133 HydrophobicContact CG-CZ3 3.93Å; L127-W133 HydrophobicContact CD2-CD2 4.23Å; L127-W133 HydrophobicContact CD2-CE3 4.12Å; W133-P260 HydrophobicContact CH2-CB 4.15Å; W133-P260 HydrophobicContact CH2-CG 2.92Å; W133-P260 HydrophobicContact CZ2-CG 3.65Å; W133-P260 HydrophobicContact CZ3-CG 3.45Å; W133-P260 VanDerWaalsContact CZ3-CG 3.45Å
134L84.9Confident86.2Confident29 Ų2967.5 Ų67.515%0.15232%0.32CS..EExtended strand (participates in β ladder)trans-96.2149.3174.3-66.9175000111.6P21 L24 W126 D128 G136P21-L134 HydrophobicContact CG-CB 4.27Å; P21-L134 HydrophobicContact CG-CD1 4.33Å; L24-L134 HydrophobicContact CD1-CD1 4.39Å; L24-L134 HydrophobicContact CD2-CD1 3.55Å; L24-L134 HydrophobicContact CG-CD1 4.02Å; W126-L134 HydrophobicContact CB-CB 3.9Å; W126-L134 HydrophobicContact CB-CD1 4.41Å; W126-L134 PolarHBondContact O-N 2.78Å; D128-L134 HydrophobicContact CB-CD1 4.2Å; D128-L134 HydrophobicContact CB-CD2 4.41Å; D128-L134 HydrophobicContact CB-CG 4.26Å; L134-G136 PolarHBondContact O-N 3.48Å
135P82.3Confident85.5Confident76 Ų7667.8 Ų67.849%0.49432%0.322SS..EExtended strand (participates in β ladder)trans-65136176.826.5-33.7000111T99T99-P135 HydrophobicContact CG2-CG 3.82Å
136G83.9Confident84.1Confident43 Ų4365.6 Ų65.644%0.44332%0.322SS..EExtended strand (participates in β ladder)trans105.8179.4-17900000113.3L134L134-G136 PolarHBondContact O-N 3.48Å
137R90.1Very high82.4Confident82 Ų8270.1 Ų70.131%0.30935%0.35SS..EExtended strand (participates in β ladder)trans-137.7148.8-179.2-66.1175.7178.8-124.113.9109.4G123 R124 R125 W126 L139 G262 T263G123-R137 PolarHBondContact O-NH1 3.3Å; G123-R137 VanDerWaalsContact O-NH1 3.07Å; R124-R137 CarbonylContact O-C 3.51Å; R124-R137 WeakPolarHBondContact O-CA 3.31Å; R125-R137 HydrophobicContact CG-CG 4.42Å; W126-R137 VanDerWaalsContact NE1-C 3.33Å; W126-R137 PolarHBondContact NE1-O 3.47Å; R137-L139 PolarHBondContact O-N 3.04Å; R137-G262 PolarHBondContact NH1-O 2.88Å; R137-T263 PolarHBondContact NH2-OG1 3.04Å
138C92.2Very high80.6Confident0 Ų075.8 Ų75.80%038%0.376CS..  trans-69.8119171.3-178.80000108.7Y32 Y121 G123 R124 W126Y32-C138 HydrophobicContact CE1-CB 4.42Å; Y121-C138 WeakPolarHBondContact O-CB 3.29Å; G123-C138 PolarHBondContact N-O 3.1Å; R124-C138 PolarHBondContact O-N 2.87Å; W126-C138 HydrophobicContact CD2-CB 4.41Å; W126-C138 HydrophobicContact CH2-CB 3.82Å; W126-C138 HydrophobicContact CZ2-CB 3.54Å; W126-C138 HydrophobicContact CZ3-CB 4.37Å
139L91.8Very high78.9Confident66 Ų6677 Ų7735%0.34639%0.392SS..EExtended strand (participates in β ladder)trans-114.9118.4177.7-66.8174.5000108.6V17 S18 R137V17-L139 CarbonylContact C-O 3.38Å; V17-L139 WeakPolarHBondContact CA-O 3.45Å; S18-L139 PolarHBondContact N-O 3.47Å; S18-L139 PolarHBondContact O-N 3.36Å; S18-L139 VanDerWaalsContact O-N 3.14Å; S18-L139 WeakPolarHBondContact OG-CB 3.32Å; S18-L139 PolarHBondContact OG-O 2.74Å; R137-L139 PolarHBondContact O-N 3.04Å
140I93.3Very high77.4Confident8 Ų879.5 Ų79.54%0.04141%0.41CS..EExtended strand (participates in β ladder)trans-112.6121.4179.2-51.3-177.6000108.6L15 V16 V17 F33 L117 L118L15-I140 HydrophobicContact CB-CG2 4.08Å; L15-I140 HydrophobicContact CD1-CG2 4.14Å; V16-I140 WeakPolarHBondContact O-CA 3.44Å; V17-I140 HydrophobicContact CG2-CG1 4.37Å; F33-I140 HydrophobicContact CE1-CD1 4.4Å; L117-I140 HydrophobicContact CD2-CD1 4.16Å; L117-I140 HydrophobicContact CD2-CG2 4.43Å; L117-I140 HydrophobicContact CG-CD1 3.98Å; L118-I140 HydrophobicContact CD1-CB 4.27Å; L118-I140 HydrophobicContact CD1-CG2 3.6Å; L118-I140 HydrophobicContact CG-CB 4.29Å; L118-I140 HydrophobicContact CG-CG2 4.16Å
141R90.9Very high76Confident163 Ų16376.1 Ų76.162%0.61542%0.415SS*.EExtended strand (participates in β ladder)trans-123.5135.2-178.9-66-179.5176.5170.50.4110.6L15 V16L15-R141 CarbonylContact C-O 3.53Å; L15-R141 VanDerWaalsContact CA-O 3.32Å; L15-R141 WeakPolarHBondContact CA-O 3.18Å; V16-R141 PolarHBondContact N-O 3.41Å; V16-R141 PolarHBondContact O-N 3.37Å
142R90.6Very high74.8Confident104 Ų10482 Ų8239%0.39244%0.44SS..EExtended strand (participates in β ladder)trans-71.6130.2172.1-178.4174167.3-172.4-4110.6V13 L15 E148V13-R142 HydrophobicContact CG1-CG 4.2Å; L15-R142 HydrophobicContact CD2-CB 3.77Å; L15-R142 HydrophobicContact CD2-CG 4.11Å; R142-E148 IonicContact NH2-OE2 3.75Å; R142-E148 PolarHBondContact NH2-OE2 3.08Å
143L85.6Confident72.8Confident44 Ų4481.3 Ų81.323%0.2345%0.449CS..PPolyproline II helixtrans-84.6121175.9-162.4152.8000108.6Y14 V16 L145 L178Y14-L143 PolarHBondContact O-N 3.17Å; V16-L143 HydrophobicContact CG2-CB 4.32Å; V16-L143 HydrophobicContact CG2-CD1 3.76Å; V16-L143 HydrophobicContact CG2-CG 4.48Å; L143-L145 HydrophobicContact CD2-CD1 4.37Å; L143-L145 HydrophobicContact CD2-CD2 3.43Å; L143-L145 VanDerWaalsContact CD2-CD2 3.43Å; L143-L145 HydrophobicContact CD2-CG 3.54Å; L143-L178 HydrophobicContact CD1-CD1 3.96Å; L143-L178 HydrophobicContact CD2-CD1 3.78Å
144R80.9Confident71.2Confident205 Ų20580.3 Ų80.377%0.77446%0.462SS*.PPolyproline II helixtrans-102.7117.9174.1-66.3-175.7-179.1174.10.1108.6
145L74.1Confident69.7Low13 Ų1386.8 Ų86.87%0.06849%0.489CS..PPolyproline II helixtrans-87.4151.8177-68.5166000110.6L143 T147 E148 F173 L175 L178L143-L145 HydrophobicContact CD2-CD1 4.37Å; L143-L145 HydrophobicContact CD2-CD2 3.43Å; L143-L145 VanDerWaalsContact CD2-CD2 3.43Å; L143-L145 HydrophobicContact CD2-CG 3.54Å; L145-T147 PolarHBondContact O-N 2.86Å; L145-E148 PolarHBondContact O-N 2.88Å; L145-F173 HydrophobicContact CD2-CD1 3.85Å; L145-F173 HydrophobicContact CD2-CE1 4.13Å; L145-L175 HydrophobicContact CD1-CB 4.38Å; L145-L175 HydrophobicContact CD1-CD2 3.07Å; L145-L175 HydrophobicContact CD1-CG 3.45Å; L145-L175 VanDerWaalsContact CD1-CG 3.45Å; L145-L178 HydrophobicContact CD1-CD1 4.13Å; L145-L178 HydrophobicContact CD2-CD1 4.09Å; L145-L178 HydrophobicContact CG-CD1 4.49Å
146P61.4Low69.2Low67 Ų6788.3 Ų88.344%0.43550%0.5SS..G310 helixtrans-55.7-29.8-175-24.833.4000114.1E148 A149 F173P146-E148 VanDerWaalsContact C-N 3.27Å; P146-E148 PolarHBondContact O-N 3.39Å; P146-A149 PolarHBondContact O-N 3Å; P146-F173 WeakPolarHBondContact CD-O 3.21Å
147T55.3Low67.9Low96 Ų9694.8 Ų94.859%0.58952%0.516SS*.G310 helixtrans-62.9-28.2177.7-44.60000113.2L145 S150L145-T147 PolarHBondContact O-N 2.86Å; T147-S150 PolarHBondContact O-OG 2.89Å
148E49.5Very low67Low132 Ų13298.1 Ų98.162%0.61753%0.533SS*.G310 helixtrans-83.6-15.6174.6-65.3-160.2173.700113.1R142 L145 P146 S150R142-E148 IonicContact NH2-OE2 3.75Å; R142-E148 PolarHBondContact NH2-OE2 3.08Å; L145-E148 PolarHBondContact O-N 2.88Å; P146-E148 VanDerWaalsContact C-N 3.27Å; P146-E148 PolarHBondContact O-N 3.39Å; E148-S150 VanDerWaalsContact C-N 3.34Å
149A47.2Very low66.3Low67 Ų67102 Ų10255%0.55456%0.556SS**SBendtrans-87-3.1179.900000113.3P146 G151 L152P146-A149 PolarHBondContact O-N 3Å; A149-G151 PolarHBondContact O-N 3.38Å; A149-L152 PolarHBondContact O-N 3.19Å
150S46.7Very low65.1Low98 Ų98109 Ų10969%0.68558%0.578SS**THydrogen-bonded Turntrans-66.2-0-177.9-56.70000114.9T147 E148T147-S150 PolarHBondContact O-OG 2.89Å; E148-S150 VanDerWaalsContact C-N 3.34Å
151G47.4Very low63.7Low76 Ų76117 Ų11778%0.78461%0.612SS**THydrogen-bonded Turntrans-82.5-13.5172.600000115.4A149A149-G151 PolarHBondContact O-N 3.38Å
152L51.1Low62.5Low143 Ų143114.4 Ų114.475%0.74961%0.608SS**SBendtrans-109.2104.6168.4-87.585.1000108.3A149 S154A149-L152 PolarHBondContact O-N 3.19Å; L152-S154 PolarHBondContact O-N 3.21Å
153G43.8Very low61Low63 Ų63116.5 Ų116.565%0.64962%0.624SS**  trans-48.7133.3174.200000111F155G153-F155 PolarHBondContact O-N 3.09Å
154S53.3Low59.5Low112 Ų112121.2 Ų121.278%0.78364%0.644SS**  trans-44.1111.6171.2171.80000109.6L152L152-S154 PolarHBondContact O-N 3.21Å
155F52.7Low58.1Low164 Ų164114.7 Ų114.772%0.71963%0.63SS**  trans-59130.3176.9-92.1-89.2000109.2G153 F157G153-F155 PolarHBondContact O-N 3.09Å; F155-F157 PolarHBondContact O-N 3.03Å
156P71.8Confident56.9Low109 Ų109126 Ų12671%0.70867%0.672SS**SBendtrans-69.5-3-172.223.2-31.3000114.5
157F57.3Low56.3Low178 Ų178131.4 Ų131.478%0.78169%0.689SS**  trans-117.2111.5-179.1-56.5-72.7000110.2F155F155-F157 PolarHBondContact O-N 3.03Å
158K70.3Confident55.6Low153 Ų153129.9 Ų129.967%0.66569%0.686SS**  trans-87.5137.9170.6-65.2-179.5-179.2178.90109.6E162 M163K158-E162 WeakPolarHBondContact CA-OE2 3.42Å; K158-E162 HydrophobicContact CB-CB 4.41Å; K158-M163 HydrophobicContact CB-CG 4.34Å
159T77.4Confident55.3Low81 Ų81133 Ų13350%0.49770%0.7SS.*  trans-72.1155.9175.661.20000111.4K161 E162 M163T159-K161 PolarHBondContact O-N 3.43Å; T159-K161 VanDerWaalsContact O-N 3.12Å; T159-E162 PolarHBondContact N-OE2 2.91Å; T159-E162 PolarHBondContact O-N 3.14Å; T159-E162 WeakPolarHBondContact OG1-CG 3.23Å; T159-E162 PolarHBondContact OG1-N 2.99Å; T159-E162 PolarHBondContact OG1-OE2 3.29Å; T159-E162 VanDerWaalsContact OG1-OE2 3.1Å; T159-M163 PolarHBondContact O-N 3.23Å; T159-M163 VanDerWaalsContact O-N 3.08Å
160R67.3Low55.3Low212 Ų212136.4 Ų136.480%0.871%0.709SS**Hα-helixtrans-57.6-27.9177.6-161.8175.2-176171.51112.7Q164R160-Q164 WeakPolarHBondContact O-CG 3.5Å; R160-Q164 PolarHBondContact O-N 3.29Å
161K64.1Low55.8Low176 Ų176139.9 Ų139.977%0.76572%0.715SS**Hα-helixtrans-72.9-39.3173.4-78.2-176.8176179.40112.7T159 Q164 S165T159-K161 PolarHBondContact O-N 3.43Å; T159-K161 VanDerWaalsContact O-N 3.12Å; K161-Q164 PolarHBondContact O-N 3.39Å; K161-S165 PolarHBondContact O-N 3.47Å
162E64.4Low56.6Low110 Ų110139.9 Ų139.951%0.51471%0.707SS.*Hα-helixtrans-67-36.1175.1-77169.2143.800112.3K158 T159 Q164 S165K158-E162 WeakPolarHBondContact CA-OE2 3.42Å; K158-E162 HydrophobicContact CB-CB 4.41Å; T159-E162 PolarHBondContact N-OE2 2.91Å; T159-E162 PolarHBondContact O-N 3.14Å; T159-E162 WeakPolarHBondContact OG1-CG 3.23Å; T159-E162 PolarHBondContact OG1-N 2.99Å; T159-E162 PolarHBondContact OG1-OE2 3.29Å; T159-E162 VanDerWaalsContact OG1-OE2 3.1Å; E162-Q164 VanDerWaalsContact C-N 3.31Å; E162-Q164 PolarHBondContact O-N 3.3Å; E162-S165 PolarHBondContact O-N 3.46Å
163M59.9Low57.5Low148 Ų148137.5 Ų137.573%0.72969%0.691SS**Hα-helixtrans-65.8-31.2173.7-71.1-87.8-73.900113.1K158 T159K158-M163 HydrophobicContact CB-CG 4.34Å; T159-M163 PolarHBondContact O-N 3.23Å; T159-M163 VanDerWaalsContact O-N 3.08Å
164Q54Low59.3Low142 Ų142137.3 Ų137.366%0.66468%0.677SS**Hα-helixtrans-89-17.4179-74.9177.9-12.400113.2R160 K161 E162 R166R160-Q164 WeakPolarHBondContact O-CG 3.5Å; R160-Q164 PolarHBondContact O-N 3.29Å; K161-Q164 PolarHBondContact O-N 3.39Å; E162-Q164 VanDerWaalsContact C-N 3.31Å; E162-Q164 PolarHBondContact O-N 3.3Å; Q164-R166 PolarHBondContact O-N 3.29Å
165S51.2Low60.7Low68 Ų68135.4 Ų135.448%0.47666%0.658SS.*  trans-68.498171122.10000107.5K161 E162 K167K161-S165 PolarHBondContact O-N 3.47Å; E162-S165 PolarHBondContact O-N 3.46Å; S165-K167 PolarHBondContact O-N 2.91Å
166R48.1Very low61.9Low251 Ų251130.2 Ų130.295%0.94765%0.645SS**  trans-68.159.7161.3-73.2177.3144.5-175-5.9109.1Q164 A168Q164-R166 PolarHBondContact O-N 3.29Å; R166-A168 PolarHBondContact O-N 2.8Å; R166-A168 VanDerWaalsContact O-N 3.14Å
167K50Low62.5Low181 Ų181127.4 Ų127.479%0.78762%0.624SS**  trans-69.2108.7163-149.8178.1-171.6-1760103.5S165 E169S165-K167 PolarHBondContact O-N 2.91Å; K167-E169 PolarHBondContact O-N 3.29Å; K167-E169 VanDerWaalsContact O-N 3.15Å
168A40.4Very low63.8Low64 Ų64119 Ų11953%0.52959%0.587SS.*  trans-49127.7176.800000107.7R166 N170R166-A168 PolarHBondContact O-N 2.8Å; R166-A168 VanDerWaalsContact O-N 3.14Å; A168-N170 HydrophobicContact CB-CB 4.33Å; A168-N170 PolarHBondContact O-N 2.92Å
169E43.7Very low64.4Low197 Ų197117.5 Ų117.592%0.92158%0.581SS**  trans-68.445.2167.6-63.5179.6160.700109.6K167 E171K167-E169 PolarHBondContact O-N 3.29Å; K167-E169 VanDerWaalsContact O-N 3.15Å; E169-E171 PolarHBondContact O-N 3.24Å
170N46.1Very low64.8Low139 Ų139120.4 Ų120.474%0.74359%0.589SS**  trans-78.3101.7168.4-63.6-9.3000104.4A168A168-N170 HydrophobicContact CB-CB 4.33Å; A168-N170 PolarHBondContact O-N 2.92Å
171E56.8Low65.7Low171 Ų171111.8 Ų111.880%0.79956%0.558SS**  trans21.6113.4165.7-69.5173.2156.200115.6E169 F173E169-E171 PolarHBondContact O-N 3.24Å; E171-F173 PolarHBondContact O-N 3.38Å
172A65Low66.6Low76 Ų76105.8 Ų105.863%0.62854%0.538SS*.  trans-48.9117.6172.400000110T174A172-T174 WeakPolarHBondContact O-CG2 3.43Å; A172-T174 PolarHBondContact O-N 2.72Å
173F70.6Confident67.8Low93 Ų93100.7 Ų100.741%0.40851%0.514SS..  trans-55111.5-176-174.8-101.9000110.7L145 P146 E171 D177 L178 L181L145-F173 HydrophobicContact CD2-CD1 3.85Å; L145-F173 HydrophobicContact CD2-CE1 4.13Å; P146-F173 WeakPolarHBondContact CD-O 3.21Å; E171-F173 PolarHBondContact O-N 3.38Å; F173-D177 HydrophobicContact CD2-CB 3.86Å; F173-D177 HydrophobicContact CE2-CB 3.71Å; F173-D177 HydrophobicContact CZ-CB 4.31Å; F173-L178 HydrophobicContact CE1-CB 3.72Å; F173-L178 HydrophobicContact CE1-CD1 4.13Å; F173-L178 HydrophobicContact CE1-CG 4.32Å; F173-L178 HydrophobicContact CZ-CB 3.93Å; F173-L181 HydrophobicContact CZ-CD1 4.29Å
174T81.6Confident69.1Low59 Ų5994.8 Ų94.836%0.36249%0.485SS..  trans-91.4167-172.369.40000112.2A172 A176 D177 L178A172-T174 WeakPolarHBondContact O-CG2 3.43Å; A172-T174 PolarHBondContact O-N 2.72Å; T174-A176 PolarHBondContact O-N 2.96Å; T174-A176 PolarHBondContact OG1-N 3.02Å; T174-D177 WeakPolarHBondContact CB-OD2 3.4Å; T174-D177 PolarHBondContact N-OD2 3.33Å; T174-D177 PolarHBondContact O-N 3.2Å; T174-D177 PolarHBondContact OG1-N 3.11Å; T174-D177 PolarHBondContact OG1-OD2 3.26Å; T174-L178 PolarHBondContact O-N 3.21Å; T174-L178 VanDerWaalsContact O-N 3.1Å
175L81Confident70.6Confident72 Ų7292.5 Ų92.538%0.37748%0.477SS..Hα-helixtrans-56.9-33.7169.5-88.7165.9000112.7Y14 L145 L178 K179Y14-L175 HydrophobicContact CE2-CD2 4.04Å; L145-L175 HydrophobicContact CD1-CB 4.38Å; L145-L175 HydrophobicContact CD1-CD2 3.07Å; L145-L175 HydrophobicContact CD1-CG 3.45Å; L145-L175 VanDerWaalsContact CD1-CG 3.45Å; L175-L178 PolarHBondContact O-N 3.5Å; L175-K179 WeakPolarHBondContact O-CG 3.31Å; L175-K179 PolarHBondContact O-N 3.14Å; L175-K179 VanDerWaalsContact O-N 3.07Å
176A79.4Confident72.4Confident54 Ų5490.8 Ų90.845%0.44647%0.465SS..Hα-helixtrans-68.6-43178.700000110.9T174 L178 K179 Q180T174-A176 PolarHBondContact O-N 2.96Å; T174-A176 PolarHBondContact OG1-N 3.02Å; A176-L178 VanDerWaalsContact C-N 3.29Å; A176-L178 PolarHBondContact O-N 3.48Å; A176-K179 PolarHBondContact O-N 3.47Å; A176-Q180 WeakPolarHBondContact O-CG 3.41Å; A176-Q180 PolarHBondContact O-N 3.49Å
177D83.1Confident74.1Confident51 Ų5181.9 Ų81.927%0.27344%0.439SS..Hα-helixtrans-63.2-38.2176.8-53.2-39.8000111.4F173 T174 Q180F173-D177 HydrophobicContact CD2-CB 3.86Å; F173-D177 HydrophobicContact CE2-CB 3.71Å; F173-D177 HydrophobicContact CZ-CB 4.31Å; T174-D177 WeakPolarHBondContact CB-OD2 3.4Å; T174-D177 PolarHBondContact N-OD2 3.33Å; T174-D177 PolarHBondContact O-N 3.2Å; T174-D177 PolarHBondContact OG1-N 3.11Å; T174-D177 PolarHBondContact OG1-OD2 3.26Å; D177-Q180 PolarHBondContact O-N 3.44Å
178L85.1Confident75.7Confident0 Ų080.3 Ų80.30%044%0.444CS..Hα-helixtrans-61.5-47.9173.5-175.6143.9000111.2Y14 L143 L145 F173 T174 L175 A176 Q180 L181 L184Y14-L178 HydrophobicContact CD1-CD2 3.5Å; Y14-L178 HydrophobicContact CD2-CD2 4.17Å; Y14-L178 HydrophobicContact CE1-CD2 3.37Å; Y14-L178 HydrophobicContact CE2-CD2 4.07Å; Y14-L178 HydrophobicContact CG-CD1 4.28Å; Y14-L178 HydrophobicContact CG-CD2 3.9Å; L143-L178 HydrophobicContact CD1-CD1 3.96Å; L143-L178 HydrophobicContact CD2-CD1 3.78Å; L145-L178 HydrophobicContact CD1-CD1 4.13Å; L145-L178 HydrophobicContact CD2-CD1 4.09Å; L145-L178 HydrophobicContact CG-CD1 4.49Å; F173-L178 HydrophobicContact CE1-CB 3.72Å; F173-L178 HydrophobicContact CE1-CD1 4.13Å; F173-L178 HydrophobicContact CE1-CG 4.32Å; F173-L178 HydrophobicContact CZ-CB 3.93Å; T174-L178 PolarHBondContact O-N 3.21Å; T174-L178 VanDerWaalsContact O-N 3.1Å; L175-L178 PolarHBondContact O-N 3.5Å; A176-L178 VanDerWaalsContact C-N 3.29Å; A176-L178 PolarHBondContact O-N 3.48Å; L178-Q180 VanDerWaalsContact C-N 3.26Å; L178-Q180 PolarHBondContact O-N 2.94Å; L178-L181 VanDerWaalsContact O-CB 3.23Å; L178-L181 WeakPolarHBondContact O-CB 3.48Å; L178-L181 VanDerWaalsContact O-CG 3.26Å; L178-L181 WeakPolarHBondContact O-CG 3.45Å; L178-L181 PolarHBondContact O-N 2.83Å; L178-L181 VanDerWaalsContact O-N 3.08Å; L178-L184 HydrophobicContact CD2-CD1 3.25Å; L178-L184 HydrophobicContact CG-CD1 4.01Å; L178-L184 WeakPolarHBondContact O-CD1 3.47Å
179K83.4Confident77.8Confident122 Ų12280.1 Ų80.153%0.5343%0.434SS..Hα-helixtrans-65.4-26.6179.2-73.4-179179.5-175.50113.3L175 A176 L181 N185L175-K179 WeakPolarHBondContact O-CG 3.31Å; L175-K179 PolarHBondContact O-N 3.14Å; L175-K179 VanDerWaalsContact O-N 3.07Å; A176-K179 PolarHBondContact O-N 3.47Å; K179-L181 PolarHBondContact O-N 3.36Å; K179-N185 PolarHBondContact O-ND2 3.03Å
180Q85.4Confident79.9Confident143 Ų14371.8 Ų71.867%0.66840%0.395SS*.THydrogen-bonded Turntrans-74.6-9175.2-71.2176.616.300113.2A176 D177 L178A176-Q180 WeakPolarHBondContact O-CG 3.41Å; A176-Q180 PolarHBondContact O-N 3.49Å; D177-Q180 PolarHBondContact O-N 3.44Å; L178-Q180 VanDerWaalsContact C-N 3.26Å; L178-Q180 PolarHBondContact O-N 2.94Å
181L85.8Confident81.8Confident31 Ų3168.5 Ų68.516%0.16238%0.382CS..SBendtrans-61.1141179.9-70176.3000111.7V105 F173 L178 K179 E183 L184 N185V105-L181 HydrophobicContact CG2-CD1 4.23Å; F173-L181 HydrophobicContact CZ-CD1 4.29Å; L178-L181 VanDerWaalsContact O-CB 3.23Å; L178-L181 WeakPolarHBondContact O-CB 3.48Å; L178-L181 VanDerWaalsContact O-CG 3.26Å; L178-L181 WeakPolarHBondContact O-CG 3.45Å; L178-L181 PolarHBondContact O-N 2.83Å; L178-L181 VanDerWaalsContact O-N 3.08Å; K179-L181 PolarHBondContact O-N 3.36Å; L181-E183 PolarHBondContact O-N 3.42Å; L181-E183 VanDerWaalsContact O-N 3.11Å; L181-L184 PolarHBondContact O-N 2.76Å; L181-L184 VanDerWaalsContact O-N 3.09Å; L181-N185 PolarHBondContact O-N 3Å; L181-N185 PolarHBondContact O-ND2 3.15Å
182P84.1Confident83.3Confident50 Ų5062.8 Ų62.833%0.32536%0.357SS..THydrogen-bonded Turntrans-64.8-16.4179.123.7-33.2000114.2H48H48-P182 PolarHBondContact CD2-O 3.06Å
183E88.4Confident84.5Confident3 Ų359.1 Ų59.11%0.01433%0.327CS..THydrogen-bonded Turntrans-81.8-16.6177.7-69.8155.8-132.300112.7C46 H48 R52 C104 V105 L181C46-E183 PolarHBondContact SG-O 3.29Å; H48-E183 WeakPolarHBondContact CB-O 3.38Å; R52-E183 IonicContact CZ-OE1 3.21Å; R52-E183 IonicContact NE-OE1 2.69Å; R52-E183 PolarHBondContact NE-OE1 3.29Å; R52-E183 IonicContact NH2-OE1 2.92Å; R52-E183 PolarHBondContact NH2-OE1 3.06Å; C104-E183 WeakPolarHBondContact CA-OE2 3.43Å; V105-E183 PolarHBondContact N-OE2 3.32Å; L181-E183 PolarHBondContact O-N 3.42Å; L181-E183 VanDerWaalsContact O-N 3.11Å
184L87.7Confident85.5Confident23 Ų2355.5 Ų55.512%0.1231%0.312CS..SBendtrans-106.51.3177.5-63.2-178.6000113Y14 C46 V105 L178 L181 P186Y14-L184 HydrophobicContact CD1-CD1 4.13Å; Y14-L184 HydrophobicContact CE1-CD1 3.92Å; C46-L184 HydrophobicContact CB-CD2 4.32Å; V105-L184 HydrophobicContact CG1-CD1 4.38Å; L178-L184 HydrophobicContact CD2-CD1 3.25Å; L178-L184 HydrophobicContact CG-CD1 4.01Å; L178-L184 WeakPolarHBondContact O-CD1 3.47Å; L181-L184 PolarHBondContact O-N 2.76Å; L181-L184 VanDerWaalsContact O-N 3.09Å; L184-P186 VanDerWaalsContact C-CD 3.46Å; L184-P186 WeakPolarHBondContact O-CD 3.06Å
185N86.4Confident86Confident95 Ų9552.7 Ų52.751%0.50829%0.294SS..SBendtrans-120.175.4177.5-66.7-57.3000110K179 L181K179-N185 PolarHBondContact O-ND2 3.03Å; L181-N185 PolarHBondContact O-N 3Å; L181-N185 PolarHBondContact O-ND2 3.15Å
186P87.6Confident86.4Confident32 Ų3249.3 Ų49.321%0.20828%0.277CS..  trans-75.1161.2-178.933.3-36.1000112.2H48 L184 M190 P191 G193H48-P186 HydrophobicContact CB-CB 4.24Å; L184-P186 VanDerWaalsContact C-CD 3.46Å; L184-P186 WeakPolarHBondContact O-CD 3.06Å; P186-M190 WeakPolarHBondContact CB-O 3.48Å; P186-P191 WeakPolarHBondContact CG-O 3.2Å; P186-G193 VanDerWaalsContact CB-CA 3.49Å
187P85.1Confident87Confident63 Ų6346.8 Ų46.841%0.40926%0.256SS..  trans-62.6150.8175-20.532.3000112.9L189 M190P187-L189 PolarHBondContact O-N 3.46Å; P187-L189 VanDerWaalsContact O-N 3.08Å; P187-M190 HydrophobicContact CB-CE 4.44Å; P187-M190 HydrophobicContact CG-CE 4.06Å; P187-M190 CarbonylContact O-C 3.58Å; P187-M190 PolarHBondContact O-N 3.02Å
188V82.9Confident87.3Confident149 Ų14944.6 Ų44.690%0.90324%0.244SC*.THydrogen-bonded Turntrans-55.8-31.5-177.6-177.30000113.7M190V188-M190 PolarHBondContact O-N 2.93Å
189L85Confident87.4Confident59 Ų5945.6 Ų45.631%0.30925%0.25SC..THydrogen-bonded Turntrans-69.2-15.1177.4-69.3165.7000113.5P187 L205 L211 I215P187-L189 PolarHBondContact O-N 3.46Å; P187-L189 VanDerWaalsContact O-N 3.08Å; L189-L205 WeakPolarHBondContact O-CD1 3.25Å; L189-L211 HydrophobicContact CD2-CD1 4.42Å; L189-I215 HydrophobicContact CD1-CD1 3.92Å
190M87.3Confident87.6Confident22 Ų2244.9 Ų44.911%0.10824%0.244CC..  trans-135.877.3-174.7-68.3-177.4-76.400109.3P186 P187 V188 N192 G193 N194 F202 L219P186-M190 WeakPolarHBondContact CB-O 3.48Å; P187-M190 HydrophobicContact CB-CE 4.44Å; P187-M190 HydrophobicContact CG-CE 4.06Å; P187-M190 CarbonylContact O-C 3.58Å; P187-M190 PolarHBondContact O-N 3.02Å; V188-M190 PolarHBondContact O-N 2.93Å; M190-N192 PolarHBondContact O-N 3.44Å; M190-N192 VanDerWaalsContact O-N 3.09Å; M190-G193 PolarHBondContact O-N 2.63Å; M190-N194 HydrophobicContact CE-CB 4.45Å; M190-N194 HydrophobicContact SD-CB 4.02Å; M190-F202 HydrophobicContact CG-CE1 3.64Å; M190-F202 HydrophobicContact CG-CZ 3.68Å; M190-F202 HydrophobicContact SD-CE1 4.17Å; M190-F202 HydrophobicContact SD-CZ 3.99Å; M190-L219 HydrophobicContact SD-CD1 4.43Å; M190-L219 HydrophobicContact SD-CD2 3.87Å
191P85.3Confident87.8Confident71 Ų7139.9 Ų39.946%0.46122%0.222SC..THydrogen-bonded Turntrans-57.3-32.2-168.722.3-33.8000113.3P186 T197 V201P186-P191 WeakPolarHBondContact CG-O 3.2Å; P191-T197 HydrophobicContact CG-CG2 4.48Å; P191-V201 HydrophobicContact CG-CG1 4.37Å
192N90.1Very high87.9Confident50 Ų5038.4 Ų38.427%0.26722%0.215SC..THydrogen-bonded Turntrans-104.715.2-179.7-54.922.2000112F44 L45 C46 F47 M190 G196 T197F44-N192 PolarHBondContact O-ND2 3.19Å; L45-N192 WeakPolarHBondContact O-CA 3.41Å; L45-N192 WeakPolarHBondContact O-CB 3.06Å; C46-N192 WeakPolarHBondContact CA-O 3.46Å; F47-N192 PolarHBondContact N-O 3.1Å; M190-N192 PolarHBondContact O-N 3.44Å; M190-N192 VanDerWaalsContact O-N 3.09Å; N192-G196 VanDerWaalsContact O-CA 3.32Å; N192-G196 WeakPolarHBondContact O-CA 3.3Å; N192-T197 PolarHBondContact N-OG1 3.16Å
193G90.3Very high88.1Confident0 Ų038.3 Ų38.30%021%0.212CC..Hα-helixtrans89.6174.5-178.100000115F47 P186 M190 V195 T197F47-G193 CarbonylContact O-C 3.48Å; F47-G193 WeakPolarHBondContact O-CA 3.2Å; P186-G193 VanDerWaalsContact CB-CA 3.49Å; M190-G193 PolarHBondContact O-N 2.63Å; G193-V195 VanDerWaalsContact C-N 3.33Å; G193-V195 PolarHBondContact O-N 3.34Å; G193-T197 PolarHBondContact N-OG1 3.3Å; G193-T197 VanDerWaalsContact O-CB 3.31Å; G193-T197 WeakPolarHBondContact O-CB 3.41Å; G193-T197 PolarHBondContact O-N 3.43Å; G193-T197 VanDerWaalsContact O-N 3.15Å; G193-T197 PolarHBondContact O-OG1 3.13Å
194N91.3Very high88.2Confident17 Ų1743.9 Ų43.99%0.09124%0.238CC..Hα-helixtrans-68.7-32.6-175.559-10.9000111.8S26 R30 F47 H48 Y49 M190S26-N194 VanDerWaalsContact CB-ND2 3.31Å; S26-N194 WeakPolarHBondContact CB-ND2 3.46Å; R30-N194 WeakPolarHBondContact CD-O 3.29Å; R30-N194 PolarHBondContact NH1-O 2.93Å; F47-N194 PolarHBondContact O-N 2.91Å; F47-N194 PolarHBondContact O-OD1 3.24Å; H48-N194 VanDerWaalsContact CA-OD1 3.22Å; H48-N194 WeakPolarHBondContact CA-OD1 3.35Å; H48-N194 PolarHBondContact ND1-OD1 3.09Å; Y49-N194 PolarHBondContact N-OD1 2.99Å; Y49-N194 PolarHBondContact O-ND2 3.33Å; Y49-N194 VanDerWaalsContact O-ND2 3.07Å; M190-N194 HydrophobicContact CE-CB 4.45Å; M190-N194 HydrophobicContact SD-CB 4.02Å
195V91Very high88.3Confident0 Ų044.6 Ų44.60%024%0.241CC..Hα-helixtrans-91.2-43.7175.9-177.50000110.8L29 R30 R37 F47 G193 T197L29-V195 HydrophobicContact CB-CG1 3.94Å; L29-V195 HydrophobicContact CB-CG2 3.89Å; L29-V195 HydrophobicContact CD1-CG2 4.33Å; R30-V195 HydrophobicContact CG-CB 4.33Å; R30-V195 HydrophobicContact CG-CG1 4.21Å; R30-V195 HydrophobicContact CG-CG2 4.49Å; R30-V195 PolarHBondContact NH1-O 3.21Å; R37-V195 WeakPolarHBondContact CD-O 3.22Å; F47-V195 HydrophobicContact CB-CB 4.34Å; F47-V195 HydrophobicContact CD1-CB 3.96Å; F47-V195 HydrophobicContact CD1-CG1 3.6Å; F47-V195 HydrophobicContact CD2-CB 3.92Å; F47-V195 HydrophobicContact CD2-CG1 4.35Å; F47-V195 HydrophobicContact CD2-CG2 4.31Å; F47-V195 HydrophobicContact CE1-CB 4.25Å; F47-V195 HydrophobicContact CE1-CG1 3.63Å; F47-V195 HydrophobicContact CE2-CB 4.19Å; F47-V195 HydrophobicContact CE2-CG1 4.36Å; F47-V195 HydrophobicContact CE2-CG2 4.25Å; F47-V195 HydrophobicContact CG-CB 3.79Å; F47-V195 HydrophobicContact CG-CG1 3.99Å; F47-V195 HydrophobicContact CZ-CB 4.36Å; F47-V195 HydrophobicContact CZ-CG1 4.02Å; F47-V195 PolarHBondContact O-N 2.9Å; F47-V195 VanDerWaalsContact O-N 3.09Å; G193-V195 VanDerWaalsContact C-N 3.33Å; G193-V195 PolarHBondContact O-N 3.34Å; V195-T197 PolarHBondContact O-N 3.04Å
196G90.1Very high88.4Confident1 Ų142.5 Ų42.51%0.0123%0.229CC..Hα-helixtrans-76.8-19.8-170.200000116.1R37 F47 N192 P198R37-G196 WeakPolarHBondContact CG-O 3.37Å; F47-G196 PolarHBondContact O-N 3.48Å; F47-G196 VanDerWaalsContact O-N 3.08Å; N192-G196 VanDerWaalsContact O-CA 3.32Å; N192-G196 WeakPolarHBondContact O-CA 3.3Å; G196-P198 WeakPolarHBondContact O-CD 3.48Å
197T91.2Very high88.4Confident0 Ų050.5 Ų50.50%026%0.255CS..SBendtrans-71.5122.6179.8-55.90000110.5R30 R37 P191 N192 G193 V195 V201 F202R30-T197 PolarHBondContact NH1-O 3.44Å; R30-T197 PolarHBondContact NH2-O 3Å; R37-T197 WeakPolarHBondContact CD-O 3.36Å; P191-T197 HydrophobicContact CG-CG2 4.48Å; N192-T197 PolarHBondContact N-OG1 3.16Å; G193-T197 PolarHBondContact N-OG1 3.3Å; G193-T197 VanDerWaalsContact O-CB 3.31Å; G193-T197 WeakPolarHBondContact O-CB 3.41Å; G193-T197 PolarHBondContact O-N 3.43Å; G193-T197 VanDerWaalsContact O-N 3.15Å; G193-T197 PolarHBondContact O-OG1 3.13Å; V195-T197 PolarHBondContact O-N 3.04Å; T197-V201 HydrophobicContact CG2-CB 3.83Å; T197-V201 HydrophobicContact CG2-CG1 3.79Å; T197-F202 HydrophobicContact CG2-CD2 4.06Å; T197-F202 HydrophobicContact CG2-CE1 4.45Å; T197-F202 HydrophobicContact CG2-CE2 3.56Å; T197-F202 HydrophobicContact CG2-CZ 3.79Å; T197-F202 WeakPolarHBondContact O-CE2 3.38Å
198P90.2Very high88.8Confident5 Ų550.1 Ų50.13%0.03226%0.257CS..  trans-70.9158.1-177.430.2-35.8000111.9R37 G196 R200 V201 F202R37-P198 HydrophobicContact CG-CB 4.35Å; G196-P198 WeakPolarHBondContact O-CD 3.48Å; P198-R200 VanDerWaalsContact C-N 3.25Å; P198-R200 HydrophobicContact CB-CG 4.1Å; P198-R200 HydrophobicContact CG-CG 3.95Å; P198-R200 PolarHBondContact O-N 3.3Å; P198-V201 HydrophobicContact CG-CB 4.5Å; P198-V201 HydrophobicContact CG-CG2 3.85Å; P198-V201 PolarHBondContact O-N 3.1Å; P198-F202 WeakPolarHBondContact O-CD2 3.43Å
199L87.9Confident89Confident22 Ų2248.6 Ų48.612%0.11525%0.252CS..Hα-helixtrans-61.2-35.6-175.4-171.869.2000111.8E38 V201 F202 L203 L221 Q222E38-L199 WeakPolarHBondContact OE1-CB 3.36Å; E38-L199 PolarHBondContact OE1-N 2.98Å; E38-L199 PolarHBondContact OE2-N 2.84Å; L199-V201 VanDerWaalsContact C-N 3.29Å; L199-V201 PolarHBondContact O-N 3.44Å; L199-F202 PolarHBondContact O-N 3.08Å; L199-F202 VanDerWaalsContact O-N 3.13Å; L199-L203 HydrophobicContact CD2-CD1 4.39Å; L199-L203 HydrophobicContact CG-CD1 4.12Å; L199-L203 HydrophobicContact CG-CG 4.31Å; L199-L203 WeakPolarHBondContact O-CG 3.44Å; L199-L203 PolarHBondContact O-N 3.09Å; L199-L221 HydrophobicContact CD1-CB 4.17Å; L199-L221 HydrophobicContact CD1-CD2 4.09Å; L199-Q222 WeakPolarHBondContact CD2-O 3.31Å
200R87.1Confident89.1Confident107 Ų10754.6 Ų54.640%0.40427%0.271SS..Hα-helixtrans-52.9-43.5176.865.3-173.4177-120.65113.2E38 P198 L203 E204E38-R200 PolarHBondContact O-NH1 3.24Å; E38-R200 VanDerWaalsContact O-NH1 3.1Å; P198-R200 VanDerWaalsContact C-N 3.25Å; P198-R200 HydrophobicContact CB-CG 4.1Å; P198-R200 HydrophobicContact CG-CG 3.95Å; P198-R200 PolarHBondContact O-N 3.3Å; R200-L203 PolarHBondContact O-N 3.15Å; R200-E204 WeakPolarHBondContact O-CG 3.48Å; R200-E204 PolarHBondContact O-N 3.33Å
201V89.2Confident89.1Confident37 Ų3754.1 Ų54.122%0.22427%0.269CS..Hα-helixtrans-68.1-40.6-179.31740000110.5P191 T197 P198 L199 E204 L205P191-V201 HydrophobicContact CG-CG1 4.37Å; T197-V201 HydrophobicContact CG2-CB 3.83Å; T197-V201 HydrophobicContact CG2-CG1 3.79Å; P198-V201 HydrophobicContact CG-CB 4.5Å; P198-V201 HydrophobicContact CG-CG2 3.85Å; P198-V201 PolarHBondContact O-N 3.1Å; L199-V201 VanDerWaalsContact C-N 3.29Å; L199-V201 PolarHBondContact O-N 3.44Å; V201-E204 PolarHBondContact O-N 2.88Å; V201-L205 HydrophobicContact CG1-CD1 4.31Å; V201-L205 WeakPolarHBondContact O-CG 3.35Å; V201-L205 PolarHBondContact O-N 3.5Å
202F88.9Confident89.2Confident0 Ų053.5 Ų53.50%026%0.264CS..Hα-helixtrans-64.8-41.5174.8-71.1-67.9000112.2R30 M190 T197 P198 L199 E204 L205 I206 L211 L219 L221R30-F202 VanDerWaalsContact NH2-CE2 3.33Å; M190-F202 HydrophobicContact CG-CE1 3.64Å; M190-F202 HydrophobicContact CG-CZ 3.68Å; M190-F202 HydrophobicContact SD-CE1 4.17Å; M190-F202 HydrophobicContact SD-CZ 3.99Å; T197-F202 HydrophobicContact CG2-CD2 4.06Å; T197-F202 HydrophobicContact CG2-CE1 4.45Å; T197-F202 HydrophobicContact CG2-CE2 3.56Å; T197-F202 HydrophobicContact CG2-CZ 3.79Å; T197-F202 WeakPolarHBondContact O-CE2 3.38Å; P198-F202 WeakPolarHBondContact O-CD2 3.43Å; L199-F202 PolarHBondContact O-N 3.08Å; L199-F202 VanDerWaalsContact O-N 3.13Å; F202-E204 VanDerWaalsContact C-N 3.33Å; F202-E204 PolarHBondContact O-N 3.08Å; F202-L205 PolarHBondContact O-N 3.08Å; F202-I206 WeakPolarHBondContact O-CB 3.47Å; F202-I206 WeakPolarHBondContact O-CD1 3.38Å; F202-I206 WeakPolarHBondContact O-CG1 3.5Å; F202-I206 PolarHBondContact O-N 3.1Å; F202-L211 HydrophobicContact CD1-CD2 4.07Å; F202-L219 HydrophobicContact CD1-CD1 3.91Å; F202-L219 HydrophobicContact CE1-CD1 3.43Å; F202-L219 VanDerWaalsContact CE1-CD1 3.43Å; F202-L219 HydrophobicContact CZ-CD1 3.91Å; F202-L221 HydrophobicContact CB-CD1 3.72Å; F202-L221 HydrophobicContact CD1-CD1 4.38Å; F202-L221 HydrophobicContact CD2-CD2 3.96Å; F202-L221 HydrophobicContact CE2-CD2 4.35Å; F202-L221 HydrophobicContact CG-CD1 3.98Å; F202-L221 HydrophobicContact CG-CD2 4.2Å
203L88.1Confident88.8Confident49 Ų4956 Ų5626%0.25728%0.283SS..Hα-helixtrans-61.5-41176.7-73.1172.3000112L199 R200 I206 R207 F223L199-L203 HydrophobicContact CD2-CD1 4.39Å; L199-L203 HydrophobicContact CG-CD1 4.12Å; L199-L203 HydrophobicContact CG-CG 4.31Å; L199-L203 WeakPolarHBondContact O-CG 3.44Å; L199-L203 PolarHBondContact O-N 3.09Å; R200-L203 PolarHBondContact O-N 3.15Å; L203-I206 PolarHBondContact O-N 3.47Å; L203-R207 WeakPolarHBondContact O-CB 3.21Å; L203-R207 WeakPolarHBondContact O-CG 2.99Å; L203-R207 PolarHBondContact O-N 2.98Å; L203-F223 HydrophobicContact CD2-CD1 3.73Å; L203-F223 HydrophobicContact CD2-CE1 3.62Å
204E90.1Very high88.6Confident120 Ų12065.8 Ų65.856%0.56132%0.32SS*.Hα-helixtrans-62.8-44.9174.2-74.1171.7-167.300112.1R200 V201 F202 I206 R207 A208R200-E204 WeakPolarHBondContact O-CG 3.48Å; R200-E204 PolarHBondContact O-N 3.33Å; V201-E204 PolarHBondContact O-N 2.88Å; F202-E204 VanDerWaalsContact C-N 3.33Å; F202-E204 PolarHBondContact O-N 3.08Å; E204-I206 VanDerWaalsContact C-N 3.33Å; E204-I206 PolarHBondContact O-N 3.45Å; E204-R207 PolarHBondContact O-N 2.96Å; E204-A208 WeakPolarHBondContact O-CB 3.47Å; E204-A208 PolarHBondContact O-N 2.68Å
205L89.8Confident88.2Confident37 Ų3767 Ų6719%0.19433%0.327CS..Hα-helixtrans-65.1-35.7177.2-69.2173.7000112.7L189 V201 F202 A208 C209 R210 L211L189-L205 WeakPolarHBondContact O-CD1 3.25Å; V201-L205 HydrophobicContact CG1-CD1 4.31Å; V201-L205 WeakPolarHBondContact O-CG 3.35Å; V201-L205 PolarHBondContact O-N 3.5Å; F202-L205 PolarHBondContact O-N 3.08Å; L205-A208 PolarHBondContact O-N 2.89Å; L205-C209 PolarHBondContact O-N 2.74Å; L205-R210 HydrophobicContact CD2-CB 4.18Å; L205-R210 PolarHBondContact O-N 3.44Å; L205-L211 HydrophobicContact CB-CB 4.2Å
206I88.7Confident87.8Confident51 Ų5169.1 Ų69.126%0.26234%0.337SS..Hα-helixtrans-66.8-47.8174.6-69.1164.6000110.1F202 L203 E204 A208 C209 L211 I216 L221 F223F202-I206 WeakPolarHBondContact O-CB 3.47Å; F202-I206 WeakPolarHBondContact O-CD1 3.38Å; F202-I206 WeakPolarHBondContact O-CG1 3.5Å; F202-I206 PolarHBondContact O-N 3.1Å; L203-I206 PolarHBondContact O-N 3.47Å; E204-I206 VanDerWaalsContact C-N 3.33Å; E204-I206 PolarHBondContact O-N 3.45Å; I206-A208 PolarHBondContact O-N 2.92Å; I206-C209 PolarHBondContact O-N 2.81Å; I206-L211 HydrophobicContact CD1-CD2 4.29Å; I206-L211 HydrophobicContact CG1-CB 4.37Å; I206-L211 HydrophobicContact CG1-CD2 3.83Å; I206-I216 HydrophobicContact CD1-CD1 4.15Å; I206-I216 HydrophobicContact CD1-CG1 4.42Å; I206-I216 HydrophobicContact CG1-CD1 3.9Å; I206-I216 HydrophobicContact CG1-CG1 4.41Å; I206-L221 HydrophobicContact CD1-CD1 4.13Å; I206-F223 HydrophobicContact CD1-CE1 4.05Å; I206-F223 HydrophobicContact CD1-CZ 3.92Å
207R87.9Confident87.3Confident200 Ų20074 Ų7476%0.75537%0.367SS*.Hα-helixtrans-60.1-34.6176.6-73.5169.9-178.3175.81.1112.2L203 E204 C209L203-R207 WeakPolarHBondContact O-CB 3.21Å; L203-R207 WeakPolarHBondContact O-CG 2.99Å; L203-R207 PolarHBondContact O-N 2.98Å; E204-R207 PolarHBondContact O-N 2.96Å; R207-C209 VanDerWaalsContact C-N 3.28Å; R207-C209 PolarHBondContact O-N 3.41Å
208A91.9Very high87Confident55 Ų5580.9 Ų80.946%0.45540%0.399SS..THydrogen-bonded Turntrans-82.30.9175.200000114E204 L205 I206 R210E204-A208 WeakPolarHBondContact O-CB 3.47Å; E204-A208 PolarHBondContact O-N 2.68Å; L205-A208 PolarHBondContact O-N 2.89Å; I206-A208 PolarHBondContact O-N 2.92Å; A208-R210 HydrophobicContact CB-CG 4.04Å; A208-R210 PolarHBondContact O-N 2.95Å; A208-R210 VanDerWaalsContact O-N 3.14Å
209C87.5Confident86.5Confident118 Ų11881.1 Ų81.180%0.79740%0.4SS*.THydrogen-bonded Turntrans53.628.2-174.9-57.80000114.4L205 I206 R207L205-C209 PolarHBondContact O-N 2.74Å; I206-C209 PolarHBondContact O-N 2.81Å; R207-C209 VanDerWaalsContact C-N 3.28Å; R207-C209 PolarHBondContact O-N 3.41Å
210R88.1Confident86.2Confident185 Ų18586 Ų8670%0.69842%0.423SS*.  trans-91.8-9.9-179.7-68-180177.5-174.7-1.8113.2L205 A208L205-R210 HydrophobicContact CD2-CB 4.18Å; L205-R210 PolarHBondContact O-N 3.44Å; A208-R210 HydrophobicContact CB-CG 4.04Å; A208-R210 PolarHBondContact O-N 2.95Å; A208-R210 VanDerWaalsContact O-N 3.14Å
211L86.2Confident85.8Confident12 Ų1281.7 Ų81.76%0.06341%0.407CS..SBendtrans-103.4120.1-179.1-167.867.4000111.4L189 F202 L205 I206 I215 I216L189-L211 HydrophobicContact CD2-CD1 4.42Å; F202-L211 HydrophobicContact CD1-CD2 4.07Å; L205-L211 HydrophobicContact CB-CB 4.2Å; I206-L211 HydrophobicContact CD1-CD2 4.29Å; I206-L211 HydrophobicContact CG1-CB 4.37Å; I206-L211 HydrophobicContact CG1-CD2 3.83Å; L211-I215 HydrophobicContact CD1-CB 4.41Å; L211-I215 HydrophobicContact CD1-CG2 4.05Å; L211-I216 HydrophobicContact CD2-CD1 4.37Å; L211-I216 HydrophobicContact CD2-CG1 3.69Å; L211-I216 HydrophobicContact CG-CG1 4.11Å
212P87.2Confident84.8Confident57 Ų5784 Ų8437%0.3742%0.415SS..  trans-60139.4176.5-26.233.6000113.6R214 I215 I216P212-R214 VanDerWaalsContact C-N 3.29Å; P212-R214 PolarHBondContact O-N 3.23Å; P212-I215 HydrophobicContact CB-CD1 4.21Å; P212-I215 HydrophobicContact CB-CG1 4.23Å; P212-I215 HydrophobicContact CG-CD1 3.97Å; P212-I215 WeakPolarHBondContact O-CB 3.41Å; P212-I215 PolarHBondContact O-N 3.38Å; P212-I216 PolarHBondContact O-N 3.5Å
213P82.7Confident83.8Confident102 Ų10288.1 Ų88.166%0.66243%0.434SS*.Hα-helixtrans-59-35.5-177-23.531.7000114.2I215 I216 T217P213-I215 PolarHBondContact O-N 3.49Å; P213-I216 WeakPolarHBondContact O-CB 3.31Å; P213-I216 PolarHBondContact O-N 3.31Å; P213-I216 VanDerWaalsContact O-N 3.15Å; P213-T217 PolarHBondContact O-N 3.19Å
214R84.7Confident82.5Confident206 Ų20690.3 Ų90.378%0.77745%0.451SS*.Hα-helixtrans-63.2-29.2177.7-69.4-175.5171-177.9-2.8113P212 T217 Q218P212-R214 VanDerWaalsContact C-N 3.29Å; P212-R214 PolarHBondContact O-N 3.23Å; R214-T217 PolarHBondContact O-OG1 3.33Å; R214-Q218 VanDerWaalsContact O-CG 3.27Å; R214-Q218 WeakPolarHBondContact O-CG 3.2Å; R214-Q218 PolarHBondContact O-N 3.07Å
215I83.9Confident80.6Confident44 Ų4494.5 Ų94.523%0.22647%0.467CS..Hα-helixtrans-76.8-34.1178.1-61.9-178.6000109.6L189 L211 P212 P213 T217 Q218 L219L189-I215 HydrophobicContact CD1-CD1 3.92Å; L211-I215 HydrophobicContact CD1-CB 4.41Å; L211-I215 HydrophobicContact CD1-CG2 4.05Å; P212-I215 HydrophobicContact CB-CD1 4.21Å; P212-I215 HydrophobicContact CB-CG1 4.23Å; P212-I215 HydrophobicContact CG-CD1 3.97Å; P212-I215 WeakPolarHBondContact O-CB 3.41Å; P212-I215 PolarHBondContact O-N 3.38Å; P213-I215 PolarHBondContact O-N 3.49Å; I215-T217 PolarHBondContact O-N 2.84Å; I215-Q218 PolarHBondContact O-N 2.79Å; I215-L219 HydrophobicContact CG2-CD1 3.69Å; I215-L219 HydrophobicContact CG2-CG 4.02Å; I215-L219 WeakPolarHBondContact O-CB 3.42Å; I215-L219 VanDerWaalsContact O-CG 3.23Å; I215-L219 WeakPolarHBondContact O-CG 3.32Å; I215-L219 PolarHBondContact O-N 2.64Å
216I82.1Confident78.7Confident43 Ų4398 Ų9822%0.22149%0.491CS..Hα-helixtrans-60.7-46.1176-57.8173.9000110.6I206 L211 P212 P213 Q218 L219 Q220 F223I206-I216 HydrophobicContact CD1-CD1 4.15Å; I206-I216 HydrophobicContact CD1-CG1 4.42Å; I206-I216 HydrophobicContact CG1-CD1 3.9Å; I206-I216 HydrophobicContact CG1-CG1 4.41Å; L211-I216 HydrophobicContact CD2-CD1 4.37Å; L211-I216 HydrophobicContact CD2-CG1 3.69Å; L211-I216 HydrophobicContact CG-CG1 4.11Å; P212-I216 PolarHBondContact O-N 3.5Å; P213-I216 WeakPolarHBondContact O-CB 3.31Å; P213-I216 PolarHBondContact O-N 3.31Å; P213-I216 VanDerWaalsContact O-N 3.15Å; I216-Q218 VanDerWaalsContact C-N 3.34Å; I216-Q218 PolarHBondContact O-N 3.44Å; I216-L219 PolarHBondContact O-N 2.85Å; I216-Q220 PolarHBondContact O-N 3.12Å; I216-F223 HydrophobicContact CG2-CE2 4.49Å; I216-F223 HydrophobicContact CG2-CZ 4.34Å
217T80.9Confident76.5Confident103 Ų10398.7 Ų98.763%0.63251%0.51SS*.Hα-helixtrans-66.2-36.8178.958.90000112.3P213 R214 I215 Q220P213-T217 PolarHBondContact O-N 3.19Å; R214-T217 PolarHBondContact O-OG1 3.33Å; I215-T217 PolarHBondContact O-N 2.84Å; T217-Q220 WeakPolarHBondContact O-CG 3.46Å; T217-Q220 PolarHBondContact O-N 3.43Å
218Q83.3Confident74.2Confident145 Ų14593 Ų9368%0.67850%0.5SS*.Hα-helixtrans-71.6-33.5176.8-73.4177.3-4.700113.6R214 I215 I216 Q220R214-Q218 VanDerWaalsContact O-CG 3.27Å; R214-Q218 WeakPolarHBondContact O-CG 3.2Å; R214-Q218 PolarHBondContact O-N 3.07Å; I215-Q218 PolarHBondContact O-N 2.79Å; I216-Q218 VanDerWaalsContact C-N 3.34Å; I216-Q218 PolarHBondContact O-N 3.44Å; Q218-Q220 PolarHBondContact O-N 3.18Å
219L80.7Confident71.9Confident10 Ų1099.9 Ų99.95%0.05252%0.516CS..Hα-helixtrans-74-17.7177.8-74.3173.4000112.6M190 F202 I215 I216 L221M190-L219 HydrophobicContact SD-CD1 4.43Å; M190-L219 HydrophobicContact SD-CD2 3.87Å; F202-L219 HydrophobicContact CD1-CD1 3.91Å; F202-L219 HydrophobicContact CE1-CD1 3.43Å; F202-L219 VanDerWaalsContact CE1-CD1 3.43Å; F202-L219 HydrophobicContact CZ-CD1 3.91Å; I215-L219 HydrophobicContact CG2-CD1 3.69Å; I215-L219 HydrophobicContact CG2-CG 4.02Å; I215-L219 WeakPolarHBondContact O-CB 3.42Å; I215-L219 VanDerWaalsContact O-CG 3.23Å; I215-L219 WeakPolarHBondContact O-CG 3.32Å; I215-L219 PolarHBondContact O-N 2.64Å; I216-L219 PolarHBondContact O-N 2.85Å; L219-L221 HydrophobicContact CB-CD2 4.01Å; L219-L221 HydrophobicContact CB-CG 3.89Å; L219-L221 PolarHBondContact O-N 3.43Å
220Q81.6Confident70.1Confident126 Ų126103.6 Ų103.659%0.58951%0.513SS*.THydrogen-bonded Turntrans45.450.8-177.2-65178.1-25.100110.8A27 I216 T217 Q218 Q222A27-Q220 HydrophobicContact CB-CB 3.97Å; A27-Q220 VanDerWaalsContact CB-OE1 3.27Å; I216-Q220 PolarHBondContact O-N 3.12Å; T217-Q220 WeakPolarHBondContact O-CG 3.46Å; T217-Q220 PolarHBondContact O-N 3.43Å; Q218-Q220 PolarHBondContact O-N 3.18Å; Q220-Q222 PolarHBondContact O-N 3.12Å; Q220-Q222 VanDerWaalsContact O-N 3.08Å
221L78.4Confident68.3Low15 Ų15103.4 Ų103.48%0.07951%0.513CS..  trans-62.9115.9-179.3-64.1176.8000108.7L199 F202 I206 L219 F223L199-L221 HydrophobicContact CD1-CB 4.17Å; L199-L221 HydrophobicContact CD1-CD2 4.09Å; F202-L221 HydrophobicContact CB-CD1 3.72Å; F202-L221 HydrophobicContact CD1-CD1 4.38Å; F202-L221 HydrophobicContact CD2-CD2 3.96Å; F202-L221 HydrophobicContact CE2-CD2 4.35Å; F202-L221 HydrophobicContact CG-CD1 3.98Å; F202-L221 HydrophobicContact CG-CD2 4.2Å; I206-L221 HydrophobicContact CD1-CD1 4.13Å; L219-L221 HydrophobicContact CB-CD2 4.01Å; L219-L221 HydrophobicContact CB-CG 3.89Å; L219-L221 PolarHBondContact O-N 3.43Å; L221-F223 HydrophobicContact CB-CE1 4.06Å; L221-F223 HydrophobicContact CB-CE2 3.97Å; L221-F223 HydrophobicContact CB-CZ 3.66Å; L221-F223 HydrophobicContact CD1-CE1 4.29Å; L221-F223 HydrophobicContact CD1-CZ 3.99Å; L221-F223 HydrophobicContact CG-CZ 4.48Å; L221-F223 WeakPolarHBondContact O-CD2 2.98Å; L221-F223 WeakPolarHBondContact O-CE2 3.43Å; L221-F223 PolarHBondContact O-N 2.61Å; L221-F223 VanDerWaalsContact O-N 3.08Å
222Q68.7Low66.8Low85 Ų85112.1 Ų112.140%0.39755%0.546SS..  trans-73.5100.6167.4-70.2178.1-9.100107.2L199 Q220 E255L199-Q222 WeakPolarHBondContact CD2-O 3.31Å; Q220-Q222 PolarHBondContact O-N 3.12Å; Q220-Q222 VanDerWaalsContact O-N 3.08Å; Q222-E255 VanDerWaalsContact NE2-CD 3.33Å; Q222-E255 PolarHBondContact NE2-OE1 2.85Å
223F66.8Low65.1Low87 Ų87112.1 Ų112.138%0.38256%0.556SS.*  trans-73.1125.2164.1-57.3-69.2000105.4L203 I206 I216 L221 K225L203-F223 HydrophobicContact CD2-CD1 3.73Å; L203-F223 HydrophobicContact CD2-CE1 3.62Å; I206-F223 HydrophobicContact CD1-CE1 4.05Å; I206-F223 HydrophobicContact CD1-CZ 3.92Å; I216-F223 HydrophobicContact CG2-CE2 4.49Å; I216-F223 HydrophobicContact CG2-CZ 4.34Å; L221-F223 HydrophobicContact CB-CE1 4.06Å; L221-F223 HydrophobicContact CB-CE2 3.97Å; L221-F223 HydrophobicContact CB-CZ 3.66Å; L221-F223 HydrophobicContact CD1-CE1 4.29Å; L221-F223 HydrophobicContact CD1-CZ 3.99Å; L221-F223 HydrophobicContact CG-CZ 4.48Å; L221-F223 WeakPolarHBondContact O-CD2 2.98Å; L221-F223 WeakPolarHBondContact O-CE2 3.43Å; L221-F223 PolarHBondContact O-N 2.61Å; L221-F223 VanDerWaalsContact O-N 3.08Å; F223-K225 PolarHBondContact O-N 3.48Å
224P60.6Low63.6Low96 Ų96114 Ų11462%0.62356%0.561SS**  trans-48.6117.1169.619.5-29.6000105.1T226P224-T226 PolarHBondContact O-N 3.19Å; P224-T226 PolarHBondContact O-OG1 3.07Å
225K51.9Low61.9Low207 Ų207108.8 Ų108.890%0.955%0.551SS**  trans-46.4114.7-177.6-76.8179.1-177.8172.30103F223 G227F223-K225 PolarHBondContact O-N 3.48Å; K225-G227 PolarHBondContact O-N 3.35Å
226T48.7Very low60.2Low112 Ų112112 Ų11269%0.68758%0.575SS**  trans-70.682.2177.1-44.50000102.1P224 S228P224-T226 PolarHBondContact O-N 3.19Å; P224-T226 PolarHBondContact O-OG1 3.07Å; T226-S228 WeakPolarHBondContact O-CA 3.37Å; T226-S228 PolarHBondContact O-N 3.42Å
227G42.8Very low58.7Low64 Ų64117 Ų11766%0.6660%0.595SS**  trans-44.8110.9154.200000101.6K225 Y229K225-G227 PolarHBondContact O-N 3.35Å; G227-Y229 PolarHBondContact O-N 3.16Å
228S39.6Very low57.1Low80 Ų80120.4 Ų120.456%0.55960%0.604SS**  trans-34.9129.2-161.965.10000108.2T226 R230T226-S228 WeakPolarHBondContact O-CA 3.37Å; T226-S228 PolarHBondContact O-N 3.42Å; S228-R230 WeakPolarHBondContact O-CG 3.05Å; S228-R230 PolarHBondContact O-N 3.09Å
229Y42.7Very low56.1Low201 Ų201121.3 Ų121.379%0.78860%0.603SS**  trans-46.678.9180-169.2-94.3000110.7G227 R231G227-Y229 PolarHBondContact O-N 3.16Å; Y229-R231 PolarHBondContact O-N 3.03Å
230R50.2Low54.7Low196 Ų196130.2 Ų130.274%0.7464%0.644SS**  trans-79.7115.7176.5-80.8-173.1178.9-1680.2100.3S228 Y232 G233S228-R230 WeakPolarHBondContact O-CG 3.05Å; S228-R230 PolarHBondContact O-N 3.09Å; R230-Y232 PolarHBondContact O-N 2.88Å; R230-G233 PolarHBondContact O-N 3.04Å
231R50.8Low53.1Low180 Ų180131.8 Ų131.868%0.67966%0.657SS**THydrogen-bonded Turntrans-50.4-13.3-176-132.5178.5-78.6-168-11.3113.7Y229Y229-R231 PolarHBondContact O-N 3.03Å
232Y54.5Low51.4Low196 Ų196134.1 Ų134.177%0.76968%0.678SS**THydrogen-bonded Turntrans-123.10.9-176.9-53.2-71.6000114.6R230R230-Y232 PolarHBondContact O-N 2.88Å
233G51.5Low50.1Low56 Ų56138.3 Ų138.358%0.57770%0.697SS**THydrogen-bonded Turntrans-86.6-17.4-178.400000114.8R230R230-G233 PolarHBondContact O-N 3.04Å
234N52.2Low48.9Very low142 Ų142139.9 Ų139.976%0.75971%0.714SS**SBendtrans-122.139.8-177.6-67.46.2000111.1P236N234-P236 WeakPolarHBondContact O-CD 3.38Å
235V48.4Very low47.9Very low96 Ų96140.2 Ų140.258%0.58272%0.715SS**  trans-85.8113167.5-175.90000106F237V235-F237 PolarHBondContact O-N 3.24Å
236P47.3Very low47.5Very low112 Ų112136.8 Ų136.873%0.72770%0.701SS**  trans-58.7114.1170.2-16.630.8000107.2N234N234-P236 WeakPolarHBondContact O-CD 3.38Å
237F50.4Low47.2Very low147 Ų147137.4 Ų137.465%0.64570%0.697SS**  trans-94100.8175-157.5-91.1000106.8V235 Y239V235-F237 PolarHBondContact O-N 3.24Å; F237-Y239 AromaticContact CD1-CD1 3.93Å; F237-Y239 HydrophobicContact CD1-CD1 3.93Å; F237-Y239 AromaticContact CD1-CD2 3.88Å; F237-Y239 HydrophobicContact CD1-CD2 3.88Å; F237-Y239 AromaticContact CD1-CE1 3.76Å; F237-Y239 HydrophobicContact CD1-CE1 3.76Å; F237-Y239 AromaticContact CD1-CE2 3.71Å; F237-Y239 HydrophobicContact CD1-CE2 3.71Å; F237-Y239 AromaticContact CD1-CG 3.99Å; F237-Y239 HydrophobicContact CD1-CG 3.99Å; F237-Y239 AromaticContact CD1-CZ 3.64Å; F237-Y239 AromaticContact CE1-CD1 3.78Å; F237-Y239 HydrophobicContact CE1-CD1 3.78Å; F237-Y239 AromaticContact CE1-CE1 3.64Å; F237-Y239 HydrophobicContact CE1-CE1 3.64Å; F237-Y239 HydrophobicContact CE1-CE2 4.44Å; F237-Y239 HydrophobicContact CE1-CG 4.24Å; F237-Y239 AromaticContact CE1-CZ 4Å; F237-Y239 PolarHBondContact O-N 2.78Å
238E48.7Very low47.6Very low175 Ų175138.3 Ų138.382%0.81868%0.684SS**  trans-79.1102.9170.4-71.1174.3-175.400106.5
239Y61.5Low48.5Very low164 Ų164141.7 Ų141.764%0.64369%0.691SS**  trans-66.7135.7167.7-68.4-89.6000107.9F237 D241 A242F237-Y239 AromaticContact CD1-CD1 3.93Å; F237-Y239 HydrophobicContact CD1-CD1 3.93Å; F237-Y239 AromaticContact CD1-CD2 3.88Å; F237-Y239 HydrophobicContact CD1-CD2 3.88Å; F237-Y239 AromaticContact CD1-CE1 3.76Å; F237-Y239 HydrophobicContact CD1-CE1 3.76Å; F237-Y239 AromaticContact CD1-CE2 3.71Å; F237-Y239 HydrophobicContact CD1-CE2 3.71Å; F237-Y239 AromaticContact CD1-CG 3.99Å; F237-Y239 HydrophobicContact CD1-CG 3.99Å; F237-Y239 AromaticContact CD1-CZ 3.64Å; F237-Y239 AromaticContact CE1-CD1 3.78Å; F237-Y239 HydrophobicContact CE1-CD1 3.78Å; F237-Y239 AromaticContact CE1-CE1 3.64Å; F237-Y239 HydrophobicContact CE1-CE1 3.64Å; F237-Y239 HydrophobicContact CE1-CE2 4.44Å; F237-Y239 HydrophobicContact CE1-CG 4.24Å; F237-Y239 AromaticContact CE1-CZ 4Å; F237-Y239 PolarHBondContact O-N 2.78Å; Y239-D241 PolarHBondContact O-N 3.22Å; Y239-A242 PolarHBondContact O-N 3.2Å
240E50.8Low49.7Very low197 Ų197135.2 Ų135.292%0.92167%0.67SS**THydrogen-bonded Turntrans-62.7-4.8-174.1-66.3-174.1156.500114
241D48.8Very low51Low160 Ų160126 Ų12686%0.85664%0.635SS**THydrogen-bonded Turntrans-133.820.7175.7-61.9-54.8000114Y239 E243Y239-D241 PolarHBondContact O-N 3.22Å; D241-E243 PolarHBondContact O-N 3.33Å
242A43.6Very low52.4Low63 Ų63120.8 Ų120.852%0.52162%0.616SS.*  trans-74.590.217600000111.3Y239 T244Y239-A242 PolarHBondContact O-N 3.2Å; A242-T244 PolarHBondContact O-N 2.51Å; A242-T244 VanDerWaalsContact O-N 3.11Å
243E41.2Very low53.5Low173 Ų173111.9 Ų111.981%0.80858%0.582SS**  trans-64.3107.2154.6-81.7-171.3158.100107.9D241 V245D241-E243 PolarHBondContact O-N 3.33Å; E243-V245 PolarHBondContact O-N 2.89Å
244T41.3Very low54.3Low120 Ų120111.6 Ų111.674%0.73657%0.574SS**  trans-64.492163.4510000107.2A242 E246A242-T244 PolarHBondContact O-N 2.51Å; A242-T244 VanDerWaalsContact O-N 3.11Å; T244-E246 VanDerWaalsContact C-N 3.34Å; T244-E246 PolarHBondContact O-N 3.19Å
245V39.1Very low55Low104 Ų104109.3 Ų109.363%0.6356%0.559SS**  trans-64.9102.7167.2-172.60000105.4E243 Q247E243-V245 PolarHBondContact O-N 2.89Å; V245-Q247 HydrophobicContact CB-CG 4.36Å; V245-Q247 HydrophobicContact CG1-CG 3.73Å; V245-Q247 PolarHBondContact O-N 2.91Å
246E42.6Very low55.9Low134 Ų134107.1 Ų107.163%0.62656%0.555SS**  trans-62.779.4167-69.5-92.2146.100107R116 T244 E248R116-E246 IonicContact NH2-OE2 3.3Å; T244-E246 VanDerWaalsContact C-N 3.34Å; T244-E246 PolarHBondContact O-N 3.19Å; E246-E248 HydrophobicContact CB-CG 4.13Å; E246-E248 PolarHBondContact O-N 3.4Å
247Q43Very low57.3Low125 Ų125104.3 Ų104.358%0.58453%0.533SS*.  trans-72.272.9167.3-70.8-176.2-2.800107V245 E249 L250V245-Q247 HydrophobicContact CB-CG 4.36Å; V245-Q247 HydrophobicContact CG1-CG 3.73Å; V245-Q247 PolarHBondContact O-N 2.91Å; Q247-E249 PolarHBondContact O-N 3.45Å; Q247-L250 PolarHBondContact O-N 3.35Å
248E52.3Low58.6Low84 Ų84102.3 Ų102.339%0.39353%0.525SS..THydrogen-bonded Turntrans-61.6-0.3176.8-61.9-161.7126.200112.9R116 E246R116-E248 IonicContact CZ-OE1 3.01Å; R116-E248 IonicContact NE-OE1 3.75Å; R116-E248 PolarHBondContact NE-OE1 2.73Å; R116-E248 IonicContact NH2-OE1 3.08Å; R116-E248 PolarHBondContact NH2-OE1 3.23Å; E246-E248 HydrophobicContact CB-CG 4.13Å; E246-E248 PolarHBondContact O-N 3.4Å
249E56.8Low60.1Low150 Ų15094.1 Ų94.170%0.70149%0.487SS*.THydrogen-bonded Turntrans-80.3-32.9-178.6-63-167.9155.100112.7R124 Q247 Q261R124-E249 PolarHBondContact NH1-O 2.97Å; R124-E249 PolarHBondContact NH2-O 2.67Å; Q247-E249 PolarHBondContact O-N 3.45Å; E249-Q261 PolarHBondContact O-NE2 3.22Å
250L69.6Low60.6Low66 Ų6688.6 Ų88.635%0.34647%0.472SS..  trans-92.7113.5-178.6-65.2161.1000110.3Q247 Y252Q247-L250 PolarHBondContact O-N 3.35Å; L250-Y252 HydrophobicContact CB-CD2 4.43Å; L250-Y252 HydrophobicContact CB-CE2 3.55Å
251V77Confident61.6Low1 Ų185.2 Ų85.21%0.00646%0.456CS..  trans-109.9123.9179.3177.60000107.7M120 Y121 I259M120-V251 HydrophobicContact CB-CG2 4.09Å; M120-V251 HydrophobicContact CE-CG2 4.01Å; M120-V251 HydrophobicContact CG-CG2 4.35Å; Y121-V251 HydrophobicContact CD1-CG1 4.12Å; Y121-V251 HydrophobicContact CE1-CG1 3.46Å; Y121-V251 VanDerWaalsContact CE1-CG1 3.46Å; V251-I259 HydrophobicContact CB-CB 4.45Å; V251-I259 HydrophobicContact CG1-CB 4.43Å; V251-I259 HydrophobicContact CG1-CD1 3.85Å; V251-I259 HydrophobicContact CG1-CG1 4.4Å; V251-I259 WeakPolarHBondContact O-CB 3.34Å; V251-I259 PolarHBondContact O-N 3.11Å
252Y79.4Confident61.4Low71 Ų7178.9 Ų78.928%0.27843%0.428SS..BIsolated β-bridgetrans-110.3147.7-177.6-61.2-92.4000110.7Q35 L250 G256 E257 E258Q35-Y252 VanDerWaalsContact CD-N 3.34Å; L250-Y252 HydrophobicContact CB-CD2 4.43Å; L250-Y252 HydrophobicContact CB-CE2 3.55Å; Y252-G256 WeakPolarHBondContact CD1-O 3.43Å; Y252-E257 CarbonylContact C-O 3.57Å; Y252-E257 VanDerWaalsContact CA-O 3.25Å; Y252-E257 WeakPolarHBondContact CA-O 3.5Å; Y252-E258 HydrophobicContact CD1-CB 4.46Å; Y252-E258 HydrophobicContact CD1-CG 3.89Å; Y252-E258 HydrophobicContact CE1-CB 4.33Å; Y252-E258 HydrophobicContact CE1-CG 3.42Å; Y252-E258 VanDerWaalsContact CE1-CG 3.42Å; Y252-E258 WeakPolarHBondContact CE1-OE1 3.15Å; Y252-E258 VanDerWaalsContact CZ-OE1 3.28Å; Y252-E258 PolarHBondContact OH-OE1 2.87Å
253T78.3Confident61.5Low10 Ų1081.2 Ų81.26%0.06144%0.436CS..  trans-71.2169.7165.965.10000110.5L127 E255 G256 E257 I259L127-T253 HydrophobicContact CD1-CG2 3.69Å; T253-E255 PolarHBondContact O-N 3.04Å; T253-E255 VanDerWaalsContact O-N 3.12Å; T253-E255 PolarHBondContact OG1-N 2.82Å; T253-G256 PolarHBondContact O-N 3Å; T253-G256 VanDerWaalsContact O-N 3.12Å; T253-E257 HydrophobicContact CG2-CB 4.36Å; T253-E257 PolarHBondContact N-O 3.47Å; T253-E257 WeakPolarHBondContact OG1-CB 3.25Å; T253-E257 PolarHBondContact OG1-N 3.09Å; T253-I259 HydrophobicContact CG2-CD1 4.03Å; T253-I259 HydrophobicContact CG2-CG1 3.9Å
254A69.1Low60.9Low50 Ų5079.3 Ų79.341%0.41344%0.44SS..THydrogen-bonded Turntrans-60.2-18.7173.900000113.7S31 S34S31-A254 PolarHBondContact O-N 3.07Å; S31-A254 VanDerWaalsContact O-N 3.09Å; S31-A254 PolarHBondContact OG-N 3.39Å; S34-A254 PolarHBondContact OG-N 2.75Å
255E65.4Low61Low93 Ų9381.7 Ų81.744%0.43545%0.447SS..THydrogen-bonded Turntrans-93.2-2.8-178.9-62178.5-14000112.5Q222 T253Q222-E255 VanDerWaalsContact NE2-CD 3.33Å; Q222-E255 PolarHBondContact NE2-OE1 2.85Å; T253-E255 PolarHBondContact O-N 3.04Å; T253-E255 VanDerWaalsContact O-N 3.12Å; T253-E255 PolarHBondContact OG1-N 2.82Å
256G68.7Low60.5Low50 Ų5081 Ų8152%0.51545%0.452SS..SBendtrans91.89.9178.100000114.5Y252 T253Y252-G256 WeakPolarHBondContact CD1-O 3.43Å; T253-G256 PolarHBondContact O-N 3Å; T253-G256 VanDerWaalsContact O-N 3.12Å
257E75Confident60.1Low54 Ų5481.9 Ų81.925%0.25246%0.462SS..  trans-84.6133.7179.5-56.2170.2156.300110.8G131 Y252 T253G131-E257 WeakPolarHBondContact CA-OE1 3.42Å; G131-E257 WeakPolarHBondContact CA-OE2 3.02Å; G131-E257 PolarHBondContact N-OE1 2.76Å; G131-E257 PolarHBondContact N-OE2 2.94Å; Y252-E257 CarbonylContact C-O 3.57Å; Y252-E257 VanDerWaalsContact CA-O 3.25Å; Y252-E257 WeakPolarHBondContact CA-O 3.5Å; T253-E257 HydrophobicContact CG2-CB 4.36Å; T253-E257 PolarHBondContact N-O 3.47Å; T253-E257 WeakPolarHBondContact OG1-CB 3.25Å; T253-E257 PolarHBondContact OG1-N 3.09Å
258E78.9Confident59.6Low105 Ų10583.3 Ų83.349%0.49147%0.472SS..BIsolated β-bridgetrans-70.4133.9177.7-43.2-152.3143.900110.6Y252 P260Y252-E258 HydrophobicContact CD1-CB 4.46Å; Y252-E258 HydrophobicContact CD1-CG 3.89Å; Y252-E258 HydrophobicContact CE1-CB 4.33Å; Y252-E258 HydrophobicContact CE1-CG 3.42Å; Y252-E258 VanDerWaalsContact CE1-CG 3.42Å; Y252-E258 WeakPolarHBondContact CE1-OE1 3.15Å; Y252-E258 VanDerWaalsContact CZ-OE1 3.28Å; Y252-E258 PolarHBondContact OH-OE1 2.87Å; E258-P260 WeakPolarHBondContact O-CD 3.33Å
259I79.8Confident58.7Low2 Ų284.6 Ų84.61%0.0149%0.488CS..  trans-9793.5170.2-49.9179.5000106.9Y32 Y121 R124 L127 V251 T253Y32-I259 HydrophobicContact CD2-CD1 3.76Å; Y32-I259 HydrophobicContact CE1-CD1 4.43Å; Y32-I259 HydrophobicContact CE2-CD1 3.63Å; Y32-I259 HydrophobicContact CE2-CG1 4.37Å; Y32-I259 HydrophobicContact CE2-CG2 3.98Å; Y32-I259 HydrophobicContact CG-CD1 4.23Å; Y121-I259 HydrophobicContact CE1-CD1 4.3Å; R124-I259 HydrophobicContact CB-CG2 3.68Å; R124-I259 WeakPolarHBondContact CD-O 3.22Å; R124-I259 HydrophobicContact CG-CG2 4.19Å; R124-I259 PolarHBondContact NH1-O 3.49Å; L127-I259 HydrophobicContact CD1-CB 4.49Å; L127-I259 HydrophobicContact CD1-CG1 3.83Å; V251-I259 HydrophobicContact CB-CB 4.45Å; V251-I259 HydrophobicContact CG1-CB 4.43Å; V251-I259 HydrophobicContact CG1-CD1 3.85Å; V251-I259 HydrophobicContact CG1-CG1 4.4Å; V251-I259 WeakPolarHBondContact O-CB 3.34Å; V251-I259 PolarHBondContact O-N 3.11Å; T253-I259 HydrophobicContact CG2-CD1 4.03Å; T253-I259 HydrophobicContact CG2-CG1 3.9Å
260P71.2Confident57.6Low49 Ų4982.6 Ų82.632%0.31850%0.496SS..  trans-70.2149.2-175.225.4-36.7000113.5W133 E258W133-P260 HydrophobicContact CH2-CB 4.15Å; W133-P260 HydrophobicContact CH2-CG 2.92Å; W133-P260 HydrophobicContact CZ2-CG 3.65Å; W133-P260 HydrophobicContact CZ3-CG 3.45Å; W133-P260 VanDerWaalsContact CZ3-CG 3.45Å; E258-P260 WeakPolarHBondContact O-CD 3.33Å
261Q72.4Confident55.6Low126 Ų12684.5 Ų84.559%0.58952%0.515SS*.  trans-74.1123.2176.6-69.2-175.621.200110.6E249 T263E249-Q261 PolarHBondContact O-NE2 3.22Å; Q261-T263 PolarHBondContact O-N 3.17Å
262G44.9Very low53.5Low27 Ų2790 Ų9028%0.27855%0.551SS.*  trans-84.996.7179.500000113.5R137R137-G262 PolarHBondContact NH1-O 2.88Å
263T44.9Very low50.9Low112 Ų11293.1 Ų93.169%0.68758%0.582SS**  trans73.8120.5146.758.80000122.1R137 Q261R137-T263 PolarHBondContact NH2-OG1 3.04Å; Q261-T263 PolarHBondContact O-N 3.17Å
264C29Very low48.6Very low132 Ų13295.9 Ų95.989%0.89261%0.612SS**  -151.2128.2116.4-82.30000109.5
265L43.3Very low46.7Very low170 Ų170102 Ų10289%0.8963%0.632SS**  trans-63.6126.5169.9-91.8160.4000110.5
266A29.5Very low45.1Very low89 Ų89103.7 Ų103.774%0.73665%0.651SS**  trans-147.9115148.300000107I268A266-I268 PolarHBondContact O-N 2.72Å
267D33.5Very low43.2Very low153 Ų153110.1 Ų110.182%0.81867%0.667SS**  trans-52.6126.9171.5-60-59.8000110.7
268I32.8Very low41.3Very low156 Ų156116.2 Ų116.280%0.870%0.696SS**  trans-137.6135155.8-65-173.1000106.6A266A266-I268 PolarHBondContact O-N 2.72Å
269P32.2Very low38.9Very low111 Ų111120.2 Ų120.272%0.72172%0.715SS**  trans-82.6160.8-145.125.6-18.2000112.7S271P269-S271 PolarHBondContact O-N 2.81Å
270A34.8Very low36.9Very low107 Ų107124.5 Ų124.588%0.88475%0.75SS**  trans-46.1110.1158.500000109.5
271S27.4Very low34.9Very low106 Ų106134 Ų13474%0.74178%0.78SS**  trans-89.8138.3164.8-166.40000107.5P269P269-S271 PolarHBondContact O-N 2.81Å
272P32.7Very low32.8Very low117 Ų117137.8 Ų137.876%0.7679%0.794SS**  trans-72136.7-1700.415.7000110.1G274P272-G274 PolarHBondContact O-N 2.7Å
273C25.6Very low32Very low137 Ų137145.5 Ų145.593%0.92682%0.823SS**  trans-61.9108.9162.6-77.70000108.1
274G29.5Very low31.3Very low67 Ų67148.8 Ų148.869%0.69183%0.831SS**  trans-77.3139.3160.300000109.2P272P272-G274 PolarHBondContact O-N 2.7Å
275E30Very low31.3Very low180 Ų180151.2 Ų151.284%0.84183%0.829SS**  trans-37142.5164.4-52.4-93144.300112.3
276P31.1Very low30.9Very low127 Ų127150.7 Ų150.783%0.82582%0.822SS**  trans-82.2115.7158.59.47.9000109.3
277E27.6Very low31Very low185 Ų185155.8 Ų155.886%0.86483%0.831SS**  trans-63.3135.1161.8-70.6-178.9152.400110.3
278E36.3Very low30.9Very low183 Ų183153.7 Ų153.786%0.85583%0.828SS**  trans-49.7125.5165-75.9-103.2156.800112.8
279E28.8Very low31.2Very low188 Ų188153.8 Ų153.888%0.87983%0.825SS**  trans-133.493.1153.5-80-159.2163.600111.6
280A37.1Very low31.4Very low92 Ų92153 Ų15376%0.7682%0.822SS**  35.4104128.700000118.3
281R29.2Very low31.5Very low249 Ų249155.2 Ų155.294%0.9482%0.819SS**  trans-126.3107.8149.1-78.9-171.1177.2-159.80.7111.4
282K27.7Very low32.2Very low206 Ų206157.1 Ų157.190%0.89682%0.82SS**  trans6.3112.4153.4-66.7176.5177.21800117
283E29.1Very low32.6Very low189 Ų189158 Ų15888%0.88382%0.819SS**  trans-58131.8148.8-63.9169.4173.100110.2
284E29.3Very low33.6Very low180 Ų180157.3 Ų157.384%0.84181%0.806SS**  trans-141.3117.2139.9-78-161.9174.500109.4
285E28.9Very low34.6Very low184 Ų184159.5 Ų159.586%0.8680%0.802SS**  trans76.9100.5147-60.3-172.3165.300119.7
286E35.8Very low35.7Very low159 Ų159159.6 Ų159.674%0.74380%0.795SS**  trans-52135159.5-59.5-168.2173.400113.1
287E32.1Very low36.7Very low196 Ų196154.2 Ų154.292%0.91676%0.762SS**  trans-134.5109.4141.5-89.7-17116800109.9
288S31.4Very low38Very low109 Ų109151.7 Ų151.776%0.76275%0.75SS**  trans75.680.3159.5-161.30000117.7S290S288-S290 PolarHBondContact O-N 2.91Å
289H37.7Very low38.7Very low158 Ų158149.2 Ų149.273%0.73174%0.739SS**  trans-48.9100.7145.4-91-82.3000110.4
290S36.5Very low39.9Very low94 Ų94149 Ų14966%0.65773%0.73SS**  trans-93.6108.2142.660.70000106.5S288 D292S288-S290 PolarHBondContact O-N 2.91Å; S290-D292 PolarHBondContact O-N 3.31Å
291D38.2Very low41Very low154 Ų154148.5 Ų148.582%0.82471%0.712SS**  trans-65.968167.5-154.324.7000107.9
292D41.3Very low42.5Very low145 Ų145138.8 Ų138.878%0.77568%0.675SS**  trans-93.9106.4172.2-144.311.9000104.8S290 D294S290-D292 PolarHBondContact O-N 3.31Å; D292-D294 PolarHBondContact O-N 3.26Å
293D41.3Very low43.9Very low136 Ų136133 Ų13373%0.72765%0.651SS**  trans-38.7111-178.7-73.8-48000109.4D295D293-D295 PolarHBondContact O-N 3.35Å
294D46.5Very low45.2Very low123 Ų123128.8 Ų128.866%0.65863%0.631SS**  trans-68.384.1171.2-162.816.8000105.6D292 R296D292-D294 PolarHBondContact O-N 3.26Å; D294-R296 PolarHBondContact O-N 3.34Å; D294-R296 WeakPolarHBondContact OD2-CD 3.36Å; D294-R296 IonicContact OD2-CZ 3.39Å; D294-R296 IonicContact OD2-NE 3.84Å; D294-R296 PolarHBondContact OD2-NE 3.02Å
295D51.5Low46.5Very low113 Ų113121.4 Ų121.460%0.60460%0.601SS**  trans-63.653.2172.2-117.721000108.5D293 G297 R495D293-D295 PolarHBondContact O-N 3.35Å; D295-G297 PolarHBondContact O-N 3.43Å; D295-R495 IonicContact OD2-CZ 2.89Å; D295-R495 IonicContact OD2-NH1 2.99Å; D295-R495 PolarHBondContact OD2-NH1 2.96Å
296R53.3Low47.8Very low182 Ų182117 Ų11769%0.68758%0.583SS**  trans-66.672.8165.5-75.6-175.1-179.7-135.9-6.8107.1D294 E298D294-R296 PolarHBondContact O-N 3.34Å; D294-R296 WeakPolarHBondContact OD2-CD 3.36Å; D294-R296 IonicContact OD2-CZ 3.39Å; D294-R296 IonicContact OD2-NE 3.84Å; D294-R296 PolarHBondContact OD2-NE 3.02Å; R296-E298 PolarHBondContact O-N 2.81Å; R296-E298 VanDerWaalsContact O-N 3.11Å
297G52Low48.9Very low13 Ų13113 Ų11313%0.13456%0.564CS.*  trans-45.8122.3171.200000108D295 E301 Y368D295-G297 PolarHBondContact O-N 3.43Å; G297-E301 WeakPolarHBondContact CA-OE2 3.47Å; G297-Y368 PolarHBondContact O-OH 2.84Å
298E53.3Low49.9Very low133 Ų133109 Ų10962%0.62155%0.546SS*.  trans-56.9153.9-173.8-61.7-176.8175.800109.5R296 W300 E301R296-E298 PolarHBondContact O-N 2.81Å; R296-E298 VanDerWaalsContact O-N 3.11Å; E298-W300 PolarHBondContact O-N 3.22Å; E298-E301 WeakPolarHBondContact O-CB 3.48Å; E298-E301 PolarHBondContact O-N 3.17Å
299E52.4Low50.7Low131 Ų131107.2 Ų107.261%0.61253%0.527SS*.Hα-helixtrans-48.9-27.5177.3178.5153.6-116.300113.7R302 H303E299-R302 VanDerWaalsContact CG-NH2 3.27Å; E299-R302 WeakPolarHBondContact O-CB 3.45Å; E299-R302 PolarHBondContact O-N 3.12Å; E299-R302 IonicContact OE1-CZ 3.65Å; E299-R302 IonicContact OE1-NH2 3.67Å; E299-R302 PolarHBondContact OE1-NH2 3.36Å; E299-H303 PolarHBondContact O-N 3.23Å
300W53.2Low51.1Low184 Ų184104.8 Ų104.870%0.69752%0.523SS*.Hα-helixtrans-61.6-42.6172.1-57.9109.3000113.7E298 R302 H303 E304E298-W300 PolarHBondContact O-N 3.22Å; W300-R302 VanDerWaalsContact C-N 3.27Å; W300-R302 PolarHBondContact O-N 3.43Å; W300-H303 PolarHBondContact O-N 3.17Å; W300-E304 WeakPolarHBondContact O-CG 3.16Å; W300-E304 PolarHBondContact O-N 3.05Å
301E59.6Low51.6Low80 Ų80105.4 Ų105.437%0.37452%0.523SS..Hα-helixtrans-67.2-30.2177.2-64.3-17217800111.8G297 E298 A305 R495G297-E301 WeakPolarHBondContact CA-OE2 3.47Å; E298-E301 WeakPolarHBondContact O-CB 3.48Å; E298-E301 PolarHBondContact O-N 3.17Å; E301-A305 WeakPolarHBondContact O-CB 3.46Å; E301-A305 PolarHBondContact O-N 2.93Å; E301-R495 IonicContact OE1-NH2 3.17Å; E301-R495 PolarHBondContact OE1-NH2 2.87Å; E301-R495 IonicContact OE2-CZ 3.54Å; E301-R495 VanDerWaalsContact OE2-CZ 3.3Å; E301-R495 IonicContact OE2-NE 3.92Å; E301-R495 PolarHBondContact OE2-NE 2.67Å; E301-R495 VanDerWaalsContact OE2-NE 3.15Å; E301-R495 IonicContact OE2-NH2 3.48Å; E301-R495 PolarHBondContact OE2-NH2 2.73Å
302R61.6Low51.9Low45 Ų45106.8 Ų106.817%0.1752%0.517CS..Hα-helixtrans-72.1-45.4174.2-69.3-169.7-71.2119.7-3.8111.7E299 W300 E304 A305 L306 Y368E299-R302 VanDerWaalsContact CG-NH2 3.27Å; E299-R302 WeakPolarHBondContact O-CB 3.45Å; E299-R302 PolarHBondContact O-N 3.12Å; E299-R302 IonicContact OE1-CZ 3.65Å; E299-R302 IonicContact OE1-NH2 3.67Å; E299-R302 PolarHBondContact OE1-NH2 3.36Å; W300-R302 VanDerWaalsContact C-N 3.27Å; W300-R302 PolarHBondContact O-N 3.43Å; R302-E304 VanDerWaalsContact C-N 3.31Å; R302-E304 PolarHBondContact O-N 3.33Å; R302-A305 WeakPolarHBondContact O-CB 3.36Å; R302-A305 PolarHBondContact O-N 3.24Å; R302-A305 VanDerWaalsContact O-N 3.12Å; R302-L306 PolarHBondContact O-N 3.14Å; R302-Y368 WeakPolarHBondContact CD-OH 3.37Å; R302-Y368 PolarHBondContact NE-OH 3.16Å
303H57.3Low52.2Low84 Ų84109.4 Ų109.439%0.38953%0.525SS..Hα-helixtrans-62.4-39.7178.1-172-91000111E299 W300 A305 L306 H307E299-H303 PolarHBondContact O-N 3.23Å; W300-H303 PolarHBondContact O-N 3.17Å; H303-A305 VanDerWaalsContact C-N 3.27Å; H303-A305 PolarHBondContact O-N 2.81Å; H303-L306 PolarHBondContact O-N 3.35Å; H303-H307 AromaticContact CD2-CD2 3.51Å; H303-H307 AromaticContact CG-CD2 3.93Å; H303-H307 AromaticContact NE2-CD2 3.61Å; H303-H307 WeakPolarHBondContact O-CA 3.37Å; H303-H307 WeakPolarHBondContact O-CB 3.45Å; H303-H307 PolarHBondContact O-CD2 2.89Å; H303-H307 PolarHBondContact O-N 3.11Å
304E56Low52.6Low101 Ų101110.4 Ų110.447%0.47253%0.525SS..Hα-helixtrans-70.2-17.9174.4-71.4178.9-178.100114.9W300 R302 R496W300-E304 WeakPolarHBondContact O-CG 3.16Å; W300-E304 PolarHBondContact O-N 3.05Å; R302-E304 VanDerWaalsContact C-N 3.31Å; R302-E304 PolarHBondContact O-N 3.33Å; E304-R496 PolarHBondContact O-NH1 2.96Å
305A56.8Low52.7Low26 Ų26115.2 Ų115.222%0.21553%0.534CS..Hα-helixtrans-86.7-22.8176.500000113.1E301 R302 H303 R496E301-A305 WeakPolarHBondContact O-CB 3.46Å; E301-A305 PolarHBondContact O-N 2.93Å; R302-A305 WeakPolarHBondContact O-CB 3.36Å; R302-A305 PolarHBondContact O-N 3.24Å; R302-A305 VanDerWaalsContact O-N 3.12Å; H303-A305 VanDerWaalsContact C-N 3.27Å; H303-A305 PolarHBondContact O-N 2.81Å; A305-R496 HydrophobicContact CB-CB 3.97Å
306L55.2Low52.4Low90 Ų90114 Ų11447%0.47153%0.531SS..Hα-helixtrans-103.2-31.9178.5-68.9176.4000112.7R302 H303 M364R302-L306 PolarHBondContact O-N 3.14Å; H303-L306 PolarHBondContact O-N 3.35Å; L306-M364 HydrophobicContact CD1-CE 3.73Å
307H59Low52.4Low75 Ų75108.8 Ų108.835%0.34752%0.519SS..  trans-117.6120.7-179.6-53.3-81.8000109.6H303 D309 D359H303-H307 AromaticContact CD2-CD2 3.51Å; H303-H307 AromaticContact CG-CD2 3.93Å; H303-H307 AromaticContact NE2-CD2 3.61Å; H303-H307 WeakPolarHBondContact O-CA 3.37Å; H303-H307 WeakPolarHBondContact O-CB 3.45Å; H303-H307 PolarHBondContact O-CD2 2.89Å; H303-H307 PolarHBondContact O-N 3.11Å; H307-D309 PolarHBondContact O-N 3.04Å; H307-D309 VanDerWaalsContact O-N 3.09Å; H307-D359 IonicContact NE2-OD2 3.41Å
308E53.7Low52.6Low114 Ų114116.1 Ų116.153%0.53355%0.55SS.*  trans-72.597.7162.3-66.3-168.5163.400106.6V310E308-V310 WeakPolarHBondContact O-CG2 3.22Å; E308-V310 PolarHBondContact O-N 3.03Å
309D48.6Very low52.7Low70 Ų70117.7 Ų117.737%0.37456%0.557SS.*  trans-57.3104.2-174.6-171.1-3.8000111H307 T311H307-D309 PolarHBondContact O-N 3.04Å; H307-D309 VanDerWaalsContact O-N 3.09Å; D309-T311 PolarHBondContact O-N 2.99Å; D309-T311 WeakPolarHBondContact OD1-CB 3.42Å; D309-T311 PolarHBondContact OD1-N 3.38Å; D309-T311 PolarHBondContact OD1-OG1 3.19Å
310V45.6Very low53.2Low107 Ų107114.9 Ų114.965%0.64855%0.546SS*.THydrogen-bonded Turntrans-75.6-7.8-177.9-169.30000111.2E308 T317E308-V310 WeakPolarHBondContact O-CG2 3.22Å; E308-V310 PolarHBondContact O-N 3.03Å; V310-T317 HydrophobicContact CG2-CG2 4.43Å
311T46.3Very low53.4Low107 Ų107114.4 Ų114.466%0.65655%0.549SS*.THydrogen-bonded Turntrans-93.2-12.8-165.868.20000116.2D309D309-T311 PolarHBondContact O-N 2.99Å; D309-T311 WeakPolarHBondContact OD1-CB 3.42Å; D309-T311 PolarHBondContact OD1-N 3.38Å; D309-T311 PolarHBondContact OD1-OG1 3.19Å
312R45.8Very low53.7Low184 Ų184115.1 Ų115.169%0.69455%0.553SS**SBendtrans-134.699.2-172.1-68.4-170.2173.9100.9-1.8114.6E314R312-E314 PolarHBondContact O-N 3.44Å
313Q47Very low53.7Low199 Ų199121.4 Ų121.493%0.9358%0.584SS**SBendtrans62.9-15.8140.2-135.9158.14.800120.1
314E49.6Very low54Low158 Ų158123.9 Ų123.974%0.73860%0.595SS**SBendtrans-99.1-1.7-171.4-70.2-166158.300116.2R312 T316R312-E314 PolarHBondContact O-N 3.44Å; E314-T316 PolarHBondContact O-N 3.42Å
315R48.7Very low54.6Low224 Ų224121.9 Ų121.985%0.84559%0.588SS**  trans54.646.4169.6-56.7180172.9174.8-3.2114.7
316T45.4Very low54.9Low88 Ų88129.8 Ų129.854%0.5462%0.62SS.*  trans-85.5-20.7-178.942.30000114.1E314E314-T316 PolarHBondContact O-N 3.42Å
317T53.9Low55.3Low72 Ų72130.8 Ų130.844%0.44263%0.625SS.*SBendtrans-83.5142.8174.252.90000111.4V310 Q319V310-T317 HydrophobicContact CG2-CG2 4.43Å; T317-Q319 PolarHBondContact O-N 3.49Å
318E54.9Low55.5Low167 Ų167132.1 Ų132.178%0.7863%0.63SS**  trans-62.7123.9178.7-64.4-170.9173.100109.7L320E318-L320 PolarHBondContact O-N 2.84Å
319Q56.3Low55.8Low165 Ų165133.2 Ų133.277%0.77163%0.629SS**  trans-61.6114.3173.4-93.2-176.5-13.300109T317T317-Q319 PolarHBondContact O-N 3.49Å
320L61.8Low56.3Low72 Ų72136.5 Ų136.538%0.37764%0.642SS.*  trans-64.2136168.2-60.4168.8000108.2E318 E322 D341 A342 W345E318-L320 PolarHBondContact O-N 2.84Å; L320-E322 PolarHBondContact O-N 2.89Å; L320-E322 VanDerWaalsContact O-N 3.12Å; L320-D341 HydrophobicContact CD2-CB 4.27Å; L320-A342 HydrophobicContact CD1-CB 3.88Å; L320-W345 HydrophobicContact CD2-CG 4.36Å
321F59.3Low56.7Low174 Ų174140.5 Ų140.576%0.76365%0.651SS**SBendtrans-71.5-7.6-171.9-33.1-79.2000112.6D341F321-D341 WeakPolarHBondContact CD2-OD2 3.45Å
322E64.9Low57.6Low96 Ų96139.2 Ų139.245%0.44966%0.659SS.*SBendtrans-132.1139.8-173.1-58.3-174165.200110.3L320 T340L320-E322 PolarHBondContact O-N 2.89Å; L320-E322 VanDerWaalsContact O-N 3.12Å; E322-T340 HydrophobicContact CB-CG2 4.42Å; E322-T340 WeakPolarHBondContact OE2-CA 3.42Å; E322-T340 WeakPolarHBondContact OE2-CB 3.41Å; E322-T340 VanDerWaalsContact OE2-CG2 3.25Å; E322-T340 WeakPolarHBondContact OE2-CG2 2.97Å
323E62Low58.3Low177 Ų177132 Ų13283%0.82764%0.642SS**  trans-71.5151.4178.4-66.5177.6171.700111.3I325E323-I325 PolarHBondContact O-N 3.32Å
324E62.8Low59.2Low135 Ų135127.7 Ų127.763%0.63163%0.634SS**  trans-61.1123175-172.8179.5-168.500110Q346E324-Q346 PolarHBondContact OE1-NE2 3.38Å
325I68.1Low59.8Low60 Ų60123.4 Ų123.431%0.30863%0.633SS.*  trans-102.7112.9179.3-56.1-177000108.3E323 L327 F338 T340E323-I325 PolarHBondContact O-N 3.32Å; I325-L327 PolarHBondContact O-N 3.05Å; I325-F338 HydrophobicContact CD1-CB 4.04Å; I325-F338 HydrophobicContact CD1-CD1 4.43Å; I325-F338 HydrophobicContact CD1-CG 4.17Å; I325-T340 HydrophobicContact CD1-CG2 3.41Å; I325-T340 VanDerWaalsContact CD1-CG2 3.41Å; I325-T340 HydrophobicContact CG1-CG2 3.93Å
326E63.1Low60.4Low192 Ų192117.9 Ų117.990%0.89762%0.619SS**SBendtrans-58.1-23.2-175.9-166.2179.2-17800114.1
327L65.3Low61.1Low110 Ų110117 Ų11758%0.57661%0.613SS**  trans-134.3102.2-177.2-90.6151.9000111.7I325 W329I325-L327 PolarHBondContact O-N 3.05Å; L327-W329 PolarHBondContact O-N 3.32Å; L327-W329 VanDerWaalsContact O-N 3.12Å
328K62.3Low61.7Low103 Ų103118.4 Ų118.445%0.44861%0.613SS.*SBendtrans-57.8-22.9174.663.3170.3173.9-163.30114.9V337 F338K328-V337 WeakPolarHBondContact O-CA 3.36Å; K328-F338 PolarHBondContact O-N 3.36Å
329W59.9Low62.1Low138 Ų138120 Ų12052%0.52361%0.614SS.*SBendtrans-145.4132.6170.966.7-92.1000110.2L327 K331L327-W329 PolarHBondContact O-N 3.32Å; L327-W329 VanDerWaalsContact O-N 3.12Å; W329-K331 HydrophobicContact CE3-CB 4.15Å; W329-K331 HydrophobicContact CH2-CB 4.01Å; W329-K331 HydrophobicContact CH2-CD 4.12Å; W329-K331 HydrophobicContact CH2-CG 4.19Å; W329-K331 HydrophobicContact CZ3-CB 3.39Å; W329-K331 HydrophobicContact CZ3-CD 4.16Å; W329-K331 HydrophobicContact CZ3-CG 3.71Å
330E60.5Low62.7Low138 Ų138112.5 Ų112.565%0.64558%0.579SS**  trans-90.5123.5176.9-169.3-175.2-176.200110.2G332 G333E330-G332 VanDerWaalsContact C-N 3.32Å; E330-G332 PolarHBondContact O-N 2.89Å; E330-G333 PolarHBondContact O-N 2.94Å
331K52.8Low62.8Low191 Ų191112.1 Ų112.183%0.8358%0.578SS**THydrogen-bonded Turntrans-74.684.4175.8-166.8173.5-177.7-177.10110.7W329W329-K331 HydrophobicContact CE3-CB 4.15Å; W329-K331 HydrophobicContact CH2-CB 4.01Å; W329-K331 HydrophobicContact CH2-CD 4.12Å; W329-K331 HydrophobicContact CH2-CG 4.19Å; W329-K331 HydrophobicContact CZ3-CB 3.39Å; W329-K331 HydrophobicContact CZ3-CD 4.16Å; W329-K331 HydrophobicContact CZ3-CG 3.71Å
332G64.4Low63.4Low80 Ų80104.5 Ų104.583%0.82555%0.547SS*.THydrogen-bonded Turntrans130.4-5.5179.200000114.8E330E330-G332 VanDerWaalsContact C-N 3.32Å; E330-G332 PolarHBondContact O-N 2.89Å
333G62.3Low63.6Low33 Ų33102 Ų10234%0.3454%0.535SS..SBendtrans-86.6-167.7173.200000113.5E330 G335E330-G333 PolarHBondContact O-N 2.94Å; G333-G335 PolarHBondContact O-N 3.36Å
334S65.8Low64.1Low108 Ų10899.2 Ų99.276%0.75552%0.52SS*.  trans-63.82.1-172.556.90000116.2L336S334-L336 PolarHBondContact O-N 3.04Å
335G61.2Low64.4Low69 Ų6998.8 Ų98.871%0.71151%0.513SS*.  trans7013-179.600000114.1G333G333-G335 PolarHBondContact O-N 3.36Å
336L60.5Low64.4Low108 Ų10899.2 Ų99.257%0.56551%0.514SS*.  trans-73.4129.4171.3-123.773.6000109.4S334 F338S334-L336 PolarHBondContact O-N 3.04Å; L336-F338 HydrophobicContact CB-CE2 4.44Å; L336-F338 HydrophobicContact CB-CZ 4.37Å; L336-F338 HydrophobicContact CD2-CE1 4.25Å; L336-F338 HydrophobicContact CD2-CZ 4.39Å
337V61.2Low64.7Low69 Ų6996.4 Ų96.442%0.41850%0.501SS..  trans-94.1116.6170.3-178.80000106.7K328 Y339K328-V337 WeakPolarHBondContact O-CA 3.36Å; V337-Y339 HydrophobicContact CB-CE2 4.07Å; V337-Y339 HydrophobicContact CG1-CD2 4.28Å; V337-Y339 HydrophobicContact CG1-CE1 4.1Å; V337-Y339 HydrophobicContact CG1-CE2 3.73Å; V337-Y339 PolarHBondContact O-N 3.42Å
338F65.4Low64.9Low101 Ų10197.5 Ų97.544%0.44350%0.503SS..  trans-83.6115177.2-63.8-82.6000108.4I325 K328 L336 T340I325-F338 HydrophobicContact CD1-CB 4.04Å; I325-F338 HydrophobicContact CD1-CD1 4.43Å; I325-F338 HydrophobicContact CD1-CG 4.17Å; K328-F338 PolarHBondContact O-N 3.36Å; L336-F338 HydrophobicContact CB-CE2 4.44Å; L336-F338 HydrophobicContact CB-CZ 4.37Å; L336-F338 HydrophobicContact CD2-CE1 4.25Å; L336-F338 HydrophobicContact CD2-CZ 4.39Å; F338-T340 HydrophobicContact CB-CG2 4.39Å
339Y64Low65Low201 Ų20199 Ų9979%0.78851%0.512SS*.  trans-99.884.5167.6-63.9-77.6000106.5V337V337-Y339 HydrophobicContact CB-CE2 4.07Å; V337-Y339 HydrophobicContact CG1-CD2 4.28Å; V337-Y339 HydrophobicContact CG1-CE1 4.1Å; V337-Y339 HydrophobicContact CG1-CE2 3.73Å; V337-Y339 PolarHBondContact O-N 3.42Å
340T69.8Low65.4Low7 Ų793.6 Ų93.64%0.04350%0.498CS..  trans-82148.5173.3600000109.2E322 I325 F338 A342 Q343 F344E322-T340 HydrophobicContact CB-CG2 4.42Å; E322-T340 WeakPolarHBondContact OE2-CA 3.42Å; E322-T340 WeakPolarHBondContact OE2-CB 3.41Å; E322-T340 VanDerWaalsContact OE2-CG2 3.25Å; E322-T340 WeakPolarHBondContact OE2-CG2 2.97Å; I325-T340 HydrophobicContact CD1-CG2 3.41Å; I325-T340 VanDerWaalsContact CD1-CG2 3.41Å; I325-T340 HydrophobicContact CG1-CG2 3.93Å; F338-T340 HydrophobicContact CB-CG2 4.39Å; T340-A342 PolarHBondContact O-N 3.5Å; T340-Q343 PolarHBondContact O-N 3.32Å; T340-Q343 PolarHBondContact OG1-N 3.48Å; T340-F344 PolarHBondContact O-N 3.31Å; T340-F344 VanDerWaalsContact O-N 3.12Å
341D64.3Low65.8Low65 Ų6591.3 Ų91.335%0.34849%0.491SS..Hα-helixtrans-56.5-36.6175.5-75.9-13.2000110.3L320 F321 Q343 F344 W345L320-D341 HydrophobicContact CD2-CB 4.27Å; F321-D341 WeakPolarHBondContact CD2-OD2 3.45Å; D341-Q343 VanDerWaalsContact C-N 3.35Å; D341-Q343 PolarHBondContact O-N 2.99Å; D341-F344 PolarHBondContact O-N 3.22Å; D341-W345 PolarHBondContact O-N 2.82Å
342A70.3Confident66.5Low13 Ų1389.1 Ų89.111%0.10748%0.481CS..Hα-helixtrans-55.6-45.1174.500000113.6L320 T340 Q346L320-A342 HydrophobicContact CD1-CB 3.88Å; T340-A342 PolarHBondContact O-N 3.5Å; A342-Q346 VanDerWaalsContact O-CB 3.3Å; A342-Q346 WeakPolarHBondContact O-CB 3.31Å; A342-Q346 PolarHBondContact O-N 3.44Å
343Q70.3Confident66.5Low44 Ų4491 Ų9121%0.20647%0.472CS..Hα-helixtrans-70.1-35.8178.8-165.668.453.100112.1T340 D341 E347T340-Q343 PolarHBondContact O-N 3.32Å; T340-Q343 PolarHBondContact OG1-N 3.48Å; D341-Q343 VanDerWaalsContact C-N 3.35Å; D341-Q343 PolarHBondContact O-N 2.99Å; Q343-E347 WeakPolarHBondContact O-CG 3.45Å; Q343-E347 PolarHBondContact O-N 2.83Å
344F71.4Confident66.7Low119 Ų11995.8 Ų95.852%0.52249%0.486SS..Hα-helixtrans-63.7-46.2178.5176.7-93.5000111.4T340 D341 E347 E348T340-F344 PolarHBondContact O-N 3.31Å; T340-F344 VanDerWaalsContact O-N 3.12Å; D341-F344 PolarHBondContact O-N 3.22Å; F344-E347 PolarHBondContact O-N 3.11Å; F344-E348 PolarHBondContact O-N 3.45Å
345W68.9Low66.6Low125 Ų12595.9 Ų95.947%0.47347%0.474SS..Hα-helixtrans-69.7-36.7178.2-65.6115.1000112.3L320 D341 E347 E348 E349L320-W345 HydrophobicContact CD2-CG 4.36Å; D341-W345 PolarHBondContact O-N 2.82Å; W345-E347 VanDerWaalsContact C-N 3.33Å; W345-E347 PolarHBondContact O-N 2.88Å; W345-E348 WeakPolarHBondContact CZ3-OE2 3.45Å; W345-E348 PolarHBondContact O-N 3.2Å; W345-E348 VanDerWaalsContact O-N 3.08Å; W345-E349 PolarHBondContact O-N 2.64Å
346Q68.9Low66.7Low69 Ų6996.2 Ų96.232%0.32246%0.463SS..Hα-helixtrans-66-31.6175.1-167.6179.149.700112.9E324 A342 E348E324-Q346 PolarHBondContact OE1-NE2 3.38Å; A342-Q346 VanDerWaalsContact O-CB 3.3Å; A342-Q346 WeakPolarHBondContact O-CB 3.31Å; A342-Q346 PolarHBondContact O-N 3.44Å; Q346-E348 PolarHBondContact O-N 3.4Å
347E69.4Low66.8Low133 Ų13394.1 Ų94.162%0.62146%0.461SS*.Hα-helixtrans-70.6-19.8172.8-79.5-175.7175.700112.8Q343 F344 W345Q343-E347 WeakPolarHBondContact O-CG 3.45Å; Q343-E347 PolarHBondContact O-N 2.83Å; F344-E347 PolarHBondContact O-N 3.11Å; W345-E347 VanDerWaalsContact C-N 3.33Å; W345-E347 PolarHBondContact O-N 2.88Å
348E69.1Low66.7Low133 Ų13397.1 Ų97.162%0.62148%0.475SS*.Hα-helixtrans-90.5-20.5179.1-158.8168.1-16300112.8F344 W345 Q346 G350F344-E348 PolarHBondContact O-N 3.45Å; W345-E348 WeakPolarHBondContact CZ3-OE2 3.45Å; W345-E348 PolarHBondContact O-N 3.2Å; W345-E348 VanDerWaalsContact O-N 3.08Å; Q346-E348 PolarHBondContact O-N 3.4Å; E348-G350 PolarHBondContact O-N 3.01Å
349E65.7Low66.5Low136 Ų13696.6 Ų96.664%0.63648%0.476SS*.SBendtrans-74.43.1179.5-80.3179.4168.200115.2W345W345-E349 PolarHBondContact O-N 2.64Å
350G67.2Low66.3Low23 Ų2398 Ų9824%0.23748%0.481CS..  trans87.8173.1179.700000113.6E348 E354 Q355E348-G350 PolarHBondContact O-N 3.01Å; G350-E354 WeakPolarHBondContact CA-OE2 3.43Å; G350-Q355 PolarHBondContact O-NE2 3.08Å; G350-Q355 VanDerWaalsContact O-NE2 3.09Å
351D68.9Low65.7Low91 Ų91105 Ų10549%0.48752%0.518SS..  trans-81.9169.1-178.369.314.6000113.2D353 E354 Q355D351-D353 PolarHBondContact O-N 3.23Å; D351-D353 VanDerWaalsContact O-N 3.11Å; D351-D353 PolarHBondContact OD1-N 3.01Å; D351-E354 PolarHBondContact N-OE2 3.11Å; D351-E354 WeakPolarHBondContact O-CB 3.49Å; D351-E354 PolarHBondContact O-N 3.07Å; D351-E354 WeakPolarHBondContact OD1-CG 3.44Å; D351-E354 PolarHBondContact OD1-N 3.41Å; D351-Q355 WeakPolarHBondContact O-CG 3.36Å; D351-Q355 PolarHBondContact O-N 2.9Å
352F68.3Low65.7Low145 Ų145105.6 Ų105.664%0.63652%0.524SS*.Hα-helixtrans-55-32.9-176.8176.5-94.9000113Q355 T356F352-Q355 PolarHBondContact O-N 3.47Å; F352-T356 WeakPolarHBondContact O-CB 3.38Å; F352-T356 PolarHBondContact O-N 2.93Å; F352-T356 PolarHBondContact O-OG1 3.3Å
353D63.9Low65.5Low119 Ų119107.8 Ų107.864%0.63653%0.533SS*.Hα-helixtrans-75.9-36.6-179.2-68.7-18.3000110.8D351 Q355 A357D351-D353 PolarHBondContact O-N 3.23Å; D351-D353 VanDerWaalsContact O-N 3.11Å; D351-D353 PolarHBondContact OD1-N 3.01Å; D353-Q355 VanDerWaalsContact C-N 3.34Å; D353-A357 PolarHBondContact O-N 3.03Å; D353-A357 VanDerWaalsContact O-N 3.13Å
354E66.4Low65.3Low134 Ų134107.1 Ų107.163%0.62653%0.531SS*.Hα-helixtrans-64.1-36.8170-73.1172.9174.900112.1G350 D351G350-E354 WeakPolarHBondContact CA-OE2 3.43Å; D351-E354 PolarHBondContact N-OE2 3.11Å; D351-E354 WeakPolarHBondContact O-CB 3.49Å; D351-E354 PolarHBondContact O-N 3.07Å; D351-E354 WeakPolarHBondContact OD1-CG 3.44Å; D351-E354 PolarHBondContact OD1-N 3.41Å
355Q64.4Low65.4Low109 Ų109103 Ų10351%0.50952%0.516SS..Hα-helixtrans-76.5-26.8179.4-66.5176.619.800114.1G350 D351 F352 D353G350-Q355 PolarHBondContact O-NE2 3.08Å; G350-Q355 VanDerWaalsContact O-NE2 3.09Å; D351-Q355 WeakPolarHBondContact O-CG 3.36Å; D351-Q355 PolarHBondContact O-N 2.9Å; F352-Q355 PolarHBondContact O-N 3.47Å; D353-Q355 VanDerWaalsContact C-N 3.34Å
356T63.1Low65.8Low77 Ų7798 Ų9847%0.47250%0.5SS..THydrogen-bonded Turntrans-106.110.2-177.6-36.10000112F352 D358F352-T356 WeakPolarHBondContact O-CB 3.38Å; F352-T356 PolarHBondContact O-N 2.93Å; F352-T356 PolarHBondContact O-OG1 3.3Å; T356-D358 PolarHBondContact O-N 3.48Å
357A62.8Low65.7Low64 Ų6497.2 Ų97.253%0.52949%0.494SS..  trans-66120.8174.900000109.4D353 D359D353-A357 PolarHBondContact O-N 3.03Å; D353-A357 VanDerWaalsContact O-N 3.13Å; A357-D359 PolarHBondContact O-N 2.73Å
358D58Low65.5Low131 Ų13195.7 Ų95.770%0.70148%0.483SS*.  trans-74.5121.3175.8-68.2-40.8000109.3T356 W360T356-D358 PolarHBondContact O-N 3.48Å; D358-W360 HydrophobicContact CB-CG 4.38Å; D358-W360 PolarHBondContact O-N 3.02Å
359D61.8Low65.7Low90 Ų9093.9 Ų93.948%0.48148%0.478SS..G310 helixtrans-66.415.1179.6-71.1-39.1000114.8H307 A357 D361 V362H307-D359 IonicContact NE2-OD2 3.41Å; A357-D359 PolarHBondContact O-N 2.73Å; D359-D361 PolarHBondContact O-N 3.09Å; D359-D361 VanDerWaalsContact O-N 3.12Å; D359-V362 HydrophobicContact CB-CG2 4.29Å; D359-V362 PolarHBondContact O-N 3.49Å
360W58.8Low65.8Low232 Ų23297.3 Ų97.388%0.87949%0.485SS*.G310 helixtrans-68.3-13.6-172.1-77.950.2000113.7D358D358-W360 HydrophobicContact CB-CG 4.38Å; D358-W360 PolarHBondContact O-N 3.02Å
361D57.5Low65.8Low153 Ų153102 Ų10282%0.81851%0.505SS*.G310 helixtrans-1090.6-178.2-59.3-10.1000113D359 D363D359-D361 PolarHBondContact O-N 3.09Å; D359-D361 VanDerWaalsContact O-N 3.12Å; D361-D363 PolarHBondContact O-N 3.3Å
362V64.7Low66.1Low78 Ų7898.2 Ų98.247%0.47349%0.487SS..  trans-82.7114.7-176.9-175.10000110D359 M364D359-V362 HydrophobicContact CB-CG2 4.29Å; D359-V362 PolarHBondContact O-N 3.49Å; V362-M364 HydrophobicContact CG1-CG 4.14Å; V362-M364 HydrophobicContact CG1-SD 3.67Å; V362-M364 PolarHBondContact O-N 3.3Å; V362-M364 VanDerWaalsContact O-N 3.08Å
363D66.6Low66.6Low58 Ų5891.6 Ų91.631%0.3146%0.46SS..  trans-74.6100.8177.7-174.5-1.7000111.6D361 S365 G373 D374 A377D361-D363 PolarHBondContact O-N 3.3Å; D363-S365 VanDerWaalsContact C-N 3.35Å; D363-S365 VanDerWaalsContact OD1-CB 3.26Å; D363-S365 WeakPolarHBondContact OD1-CB 3.07Å; D363-S365 PolarHBondContact OD1-N 3.12Å; D363-S365 PolarHBondContact OD1-OG 2.89Å; D363-S365 PolarHBondContact OD2-OG 2.94Å; D363-G373 WeakPolarHBondContact OD2-CA 3.45Å; D363-D374 HydrophobicContact CB-CB 4.39Å; D363-D374 PolarHBondContact OD2-N 2.78Å; D363-A377 VanDerWaalsContact O-CB 3.31Å; D363-A377 WeakPolarHBondContact O-CB 3.33Å
364M65.6Low67.4Low31 Ų3189.3 Ų89.315%0.15345%0.448CS..G310 helixtrans-92.97.4-178.5-62.6-64.3-75.100113.4L306 V362 V366 Y367L306-M364 HydrophobicContact CD1-CE 3.73Å; V362-M364 HydrophobicContact CG1-CG 4.14Å; V362-M364 HydrophobicContact CG1-SD 3.67Å; V362-M364 PolarHBondContact O-N 3.3Å; V362-M364 VanDerWaalsContact O-N 3.08Å; M364-V366 PolarHBondContact O-N 3.27Å; M364-V366 VanDerWaalsContact O-N 3.15Å; M364-Y367 HydrophobicContact CB-CD2 4.49Å; M364-Y367 HydrophobicContact CE-CD2 3.63Å; M364-Y367 HydrophobicContact CE-CE2 3.34Å; M364-Y367 PolarHBondContact O-N 3.08Å; M364-Y367 VanDerWaalsContact O-N 3.11Å; M364-Y367 HydrophobicContact SD-CD2 4.23Å; M364-Y367 HydrophobicContact SD-CE2 3.92Å
365S74.5Confident68.1Low31 Ų3189.8 Ų89.822%0.21745%0.448CS..G310 helixtrans-64.6-16.5178.661.10000113.2D363 Y367 Y368 D369 G373D363-S365 VanDerWaalsContact C-N 3.35Å; D363-S365 VanDerWaalsContact OD1-CB 3.26Å; D363-S365 WeakPolarHBondContact OD1-CB 3.07Å; D363-S365 PolarHBondContact OD1-N 3.12Å; D363-S365 PolarHBondContact OD1-OG 2.89Å; D363-S365 PolarHBondContact OD2-OG 2.94Å; S365-Y367 PolarHBondContact O-N 3.38Å; S365-Y367 VanDerWaalsContact O-N 3.15Å; S365-Y368 PolarHBondContact O-N 2.89Å; S365-Y368 VanDerWaalsContact O-N 3.1Å; S365-D369 PolarHBondContact O-N 2.79Å; S365-G373 WeakPolarHBondContact OG-CA 3.28Å; S365-G373 PolarHBondContact OG-N 3.41Å
366V76.5Confident68.7Low22 Ų2290.1 Ų90.113%0.13345%0.453CS..G310 helixtrans-53.9-32.3170.1-175.30000112.6M364 Y368 A377 R378 V381M364-V366 PolarHBondContact O-N 3.27Å; M364-V366 VanDerWaalsContact O-N 3.15Å; V366-Y368 VanDerWaalsContact C-N 3.35Å; V366-A377 HydrophobicContact CG2-CB 3.46Å; V366-A377 VanDerWaalsContact CG2-CB 3.46Å; V366-R378 HydrophobicContact CG2-CG 3.99Å; V366-V381 HydrophobicContact CG1-CB 4.16Å; V366-V381 HydrophobicContact CG1-CG1 4.41Å; V366-V381 HydrophobicContact CG1-CG2 3.72Å
367Y67Low69.4Low52 Ų5287 Ų8720%0.20444%0.435CS..G310 helixtrans-78.5-21.7-176.8-70.7-89.7000113M364 S365 L494M364-Y367 HydrophobicContact CB-CD2 4.49Å; M364-Y367 HydrophobicContact CE-CD2 3.63Å; M364-Y367 HydrophobicContact CE-CE2 3.34Å; M364-Y367 PolarHBondContact O-N 3.08Å; M364-Y367 VanDerWaalsContact O-N 3.11Å; M364-Y367 HydrophobicContact SD-CD2 4.23Å; M364-Y367 HydrophobicContact SD-CE2 3.92Å; S365-Y367 PolarHBondContact O-N 3.38Å; S365-Y367 VanDerWaalsContact O-N 3.15Å; Y367-L494 HydrophobicContact CD1-CB 4.05Å; Y367-L494 HydrophobicContact CD1-CD2 3.84Å; Y367-L494 HydrophobicContact CD1-CG 4.48Å; Y367-L494 HydrophobicContact CE1-CB 4.38Å; Y367-L494 HydrophobicContact CE1-CD2 3.85Å
368Y65.8Low70.2Confident100 Ų10089.4 Ų89.439%0.39243%0.431SS..THydrogen-bonded Turntrans-111.9-36.3-173.3-59.9-69.5000112.5G297 R302 S365 V366G297-Y368 PolarHBondContact O-OH 2.84Å; R302-Y368 WeakPolarHBondContact CD-OH 3.37Å; R302-Y368 PolarHBondContact NE-OH 3.16Å; S365-Y368 PolarHBondContact O-N 2.89Å; S365-Y368 VanDerWaalsContact O-N 3.1Å; V366-Y368 VanDerWaalsContact C-N 3.35Å
369D73.3Confident71.2Confident95 Ų9586 Ų8651%0.50841%0.412SS..  trans-110125.9-178.7-63-44.1000109.9S365 D371 G372S365-D369 PolarHBondContact O-N 2.79Å; D369-D371 PolarHBondContact O-N 2.86Å; D369-G372 PolarHBondContact O-N 2.71Å
370R66.5Low72Confident209 Ų20984.2 Ų84.279%0.78941%0.407SS*.THydrogen-bonded Turntrans-55-26.3178.9-166.1176.7751720.2113.7E400R370-E400 IonicContact NH1-OE2 3.15Å
371D68.3Low72.9Confident121 Ų12174.1 Ų74.165%0.64737%0.371SS*.THydrogen-bonded Turntrans-118.514.6177.8-66.5-58.8000112.7D369 R378D369-D371 PolarHBondContact O-N 2.86Å; D371-R378 VanDerWaalsContact O-CZ 3.3Å; D371-R378 PolarHBondContact O-NH2 2.86Å
372G74.1Confident73.9Confident11 Ų1172.8 Ų72.811%0.11336%0.36CS..  trans-77.1172.717800000113.5D369 R378D369-G372 PolarHBondContact O-N 2.71Å; G372-R378 PolarHBondContact O-NE 3.39Å; G372-R378 PolarHBondContact O-NH2 3.41Å
373G79.1Confident74.5Confident7 Ų774.8 Ų74.87%0.07237%0.366CS..SBendtrans90.8152176.200000114.4D363 S365 R378D363-G373 WeakPolarHBondContact OD2-CA 3.45Å; S365-G373 WeakPolarHBondContact OG-CA 3.28Å; S365-G373 PolarHBondContact OG-N 3.41Å; G373-R378 PolarHBondContact O-NE 3.45Å; G373-R378 PolarHBondContact O-NH2 2.97Å
374D81.5Confident75Confident70 Ų7076 Ų7637%0.37437%0.366SS..  trans-69.9179.6162.27312.6000111.4D363 D376 A377 R378D363-D374 HydrophobicContact CB-CB 4.39Å; D363-D374 PolarHBondContact OD2-N 2.78Å; D374-D376 VanDerWaalsContact C-N 3.3Å; D374-D376 PolarHBondContact O-N 3Å; D374-D376 PolarHBondContact OD1-N 2.74Å; D374-D376 VanDerWaalsContact OD1-N 3.11Å; D374-A377 VanDerWaalsContact OD1-CB 3.29Å; D374-A377 WeakPolarHBondContact OD1-CB 3.32Å; D374-A377 PolarHBondContact OD1-N 2.55Å; D374-R378 VanDerWaalsContact O-CG 3.29Å; D374-R378 WeakPolarHBondContact O-CG 3.05Å; D374-R378 PolarHBondContact O-N 3.41Å
375K79.8Confident75.4Confident145 Ų14576.8 Ų76.863%0.6337%0.37SS*.Hα-helixtrans-65.4-37.8-176.4-171.6-173.2170.5-135.90111.6R378 D379K375-R378 PolarHBondContact O-N 2.84Å; K375-D379 WeakPolarHBondContact CE-OD2 3.5Å; K375-D379 IonicContact NZ-OD2 2.86Å; K375-D379 WeakPolarHBondContact O-CB 3.36Å; K375-D379 VanDerWaalsContact O-CG 3.23Å; K375-D379 PolarHBondContact O-N 2.94Å
376D78.2Confident75.3Confident116 Ų11678.7 Ų78.762%0.6238%0.376SS*.Hα-helixtrans-75.4-37.1-171.8-63.1-20.5000110.2D374 D379 S380D374-D376 VanDerWaalsContact C-N 3.3Å; D374-D376 PolarHBondContact O-N 3Å; D374-D376 PolarHBondContact OD1-N 2.74Å; D374-D376 VanDerWaalsContact OD1-N 3.11Å; D376-D379 PolarHBondContact O-N 3.37Å; D376-S380 WeakPolarHBondContact O-CB 3.29Å; D376-S380 PolarHBondContact O-N 2.91Å; D376-S380 PolarHBondContact O-OG 3.37Å
377A77.4Confident75.1Confident12 Ų1283.2 Ų83.210%0.09940%0.396CS..Hα-helixtrans-64.3-39.5171.200000112.4D363 V366 D374 S380 V381D363-A377 VanDerWaalsContact O-CB 3.31Å; D363-A377 WeakPolarHBondContact O-CB 3.33Å; V366-A377 HydrophobicContact CG2-CB 3.46Å; V366-A377 VanDerWaalsContact CG2-CB 3.46Å; D374-A377 VanDerWaalsContact OD1-CB 3.29Å; D374-A377 WeakPolarHBondContact OD1-CB 3.32Å; D374-A377 PolarHBondContact OD1-N 2.55Å; A377-S380 PolarHBondContact O-OG 2.78Å; A377-V381 WeakPolarHBondContact O-CG2 3.4Å; A377-V381 PolarHBondContact O-N 3.19Å
378R80.3Confident75.4Confident113 Ų11381.6 Ų81.643%0.42639%0.389SS..Hα-helixtrans-69-43.1175.3-68.2175.9-156.4-155.93.5112.1V366 D371 G372 G373 D374 K375 S380 V381 Q382V366-R378 HydrophobicContact CG2-CG 3.99Å; D371-R378 VanDerWaalsContact O-CZ 3.3Å; D371-R378 PolarHBondContact O-NH2 2.86Å; G372-R378 PolarHBondContact O-NE 3.39Å; G372-R378 PolarHBondContact O-NH2 3.41Å; G373-R378 PolarHBondContact O-NE 3.45Å; G373-R378 PolarHBondContact O-NH2 2.97Å; D374-R378 VanDerWaalsContact O-CG 3.29Å; D374-R378 WeakPolarHBondContact O-CG 3.05Å; D374-R378 PolarHBondContact O-N 3.41Å; K375-R378 PolarHBondContact O-N 2.84Å; R378-S380 VanDerWaalsContact C-N 3.3Å; R378-S380 PolarHBondContact O-N 3.19Å; R378-V381 PolarHBondContact O-N 2.95Å; R378-Q382 WeakPolarHBondContact O-CB 3.45Å; R378-Q382 PolarHBondContact O-N 2.89Å
379D79.3Confident75.6Confident59 Ų5977.4 Ų77.432%0.31637%0.374SS..Hα-helixtrans-64.7-36.5179.3-74.9-7.4000110.3K375 D376 Q382 M383K375-D379 WeakPolarHBondContact CE-OD2 3.5Å; K375-D379 IonicContact NZ-OD2 2.86Å; K375-D379 WeakPolarHBondContact O-CB 3.36Å; K375-D379 VanDerWaalsContact O-CG 3.23Å; K375-D379 PolarHBondContact O-N 2.94Å; D376-D379 PolarHBondContact O-N 3.37Å; D379-Q382 PolarHBondContact O-N 3Å; D379-M383 WeakPolarHBondContact O-CG 3.49Å; D379-M383 PolarHBondContact O-N 3.47Å
380S77.5Confident75.2Confident53 Ų5378.6 Ų78.637%0.37137%0.371SS..Hα-helixtrans-67.3-44.9177.174.50000113.1D376 A377 R378 Q382 M383 R384D376-S380 WeakPolarHBondContact O-CB 3.29Å; D376-S380 PolarHBondContact O-N 2.91Å; D376-S380 PolarHBondContact O-OG 3.37Å; A377-S380 PolarHBondContact O-OG 2.78Å; R378-S380 VanDerWaalsContact C-N 3.3Å; R378-S380 PolarHBondContact O-N 3.19Å; S380-Q382 VanDerWaalsContact C-N 3.3Å; S380-Q382 PolarHBondContact O-N 2.95Å; S380-M383 PolarHBondContact O-N 2.7Å; S380-R384 PolarHBondContact O-N 2.92Å
381V78.6Confident75.2Confident21 Ų2173.8 Ų73.813%0.12736%0.361CS..Hα-helixtrans-63.3-39.3174.4171.60000110.7V366 A377 R378 R384 L385 L493 L494V366-V381 HydrophobicContact CG1-CB 4.16Å; V366-V381 HydrophobicContact CG1-CG1 4.41Å; V366-V381 HydrophobicContact CG1-CG2 3.72Å; A377-V381 WeakPolarHBondContact O-CG2 3.4Å; A377-V381 PolarHBondContact O-N 3.19Å; R378-V381 PolarHBondContact O-N 2.95Å; V381-R384 PolarHBondContact O-N 3.47Å; V381-L385 WeakPolarHBondContact O-CB 3.4Å; V381-L385 PolarHBondContact O-N 3.23Å; V381-L493 HydrophobicContact CG1-CD2 3.82Å; V381-L494 HydrophobicContact CG1-CD2 3.85Å; V381-L494 HydrophobicContact CG2-CD2 4.36Å
382Q78.4Confident75.1Confident125 Ų12570 Ų7058%0.58435%0.35SS*.Hα-helixtrans-63.7-43.1175.2-177.9174.7-12.900112.2R378 D379 S380 L385 E386R378-Q382 WeakPolarHBondContact O-CB 3.45Å; R378-Q382 PolarHBondContact O-N 2.89Å; D379-Q382 PolarHBondContact O-N 3Å; S380-Q382 VanDerWaalsContact C-N 3.3Å; S380-Q382 PolarHBondContact O-N 2.95Å; Q382-L385 PolarHBondContact O-N 2.98Å; Q382-E386 PolarHBondContact O-N 3.48Å
383M76.7Confident74.6Confident120 Ų12073.3 Ų73.359%0.59136%0.363SS*.Hα-helixtrans-62.8-42.9175.4-75-170.2-62.700111.8D379 S380 L385 E386 Q387D379-M383 WeakPolarHBondContact O-CG 3.49Å; D379-M383 PolarHBondContact O-N 3.47Å; S380-M383 PolarHBondContact O-N 2.7Å; M383-L385 VanDerWaalsContact C-N 3.35Å; M383-L385 PolarHBondContact O-N 3.41Å; M383-E386 PolarHBondContact O-N 3.27Å; M383-Q387 PolarHBondContact O-N 3.12Å
384R76.1Confident73.8Confident83 Ų8374.9 Ų74.931%0.31337%0.368SS..Hα-helixtrans-61.7-42176.7-169.2178.6-172.7171.92.1111.9S380 V381 Q387 R388S380-R384 PolarHBondContact O-N 2.92Å; V381-R384 PolarHBondContact O-N 3.47Å; R384-Q387 PolarHBondContact O-N 2.83Å; R384-R388 WeakPolarHBondContact O-CG 3.47Å; R384-R388 PolarHBondContact O-N 3.45Å
385L75Confident72.6Confident48 Ų4877.9 Ų77.925%0.25139%0.385SS..Hα-helixtrans-60.4-46.1172.717566.8000111.4V381 Q382 M383 Q387 R388 L389 L493V381-L385 WeakPolarHBondContact O-CB 3.4Å; V381-L385 PolarHBondContact O-N 3.23Å; Q382-L385 PolarHBondContact O-N 2.98Å; M383-L385 VanDerWaalsContact C-N 3.35Å; M383-L385 PolarHBondContact O-N 3.41Å; L385-Q387 VanDerWaalsContact C-N 3.32Å; L385-Q387 PolarHBondContact O-N 3.46Å; L385-R388 PolarHBondContact O-N 2.91Å; L385-L389 HydrophobicContact CD1-CD1 4.32Å; L385-L389 HydrophobicContact CD1-CG 4.36Å; L385-L389 HydrophobicContact CG-CD1 4.11Å; L385-L389 WeakPolarHBondContact O-CB 3.36Å; L385-L389 VanDerWaalsContact O-CG 3.29Å; L385-L389 WeakPolarHBondContact O-CG 3.17Å; L385-L389 PolarHBondContact O-N 2.97Å; L385-L493 VanDerWaalsContact CA-CD1 3.48Å; L385-L493 HydrophobicContact CB-CD1 3.64Å; L385-L493 HydrophobicContact CB-CD2 4.39Å; L385-L493 HydrophobicContact CD1-CD1 3.6Å; L385-L493 HydrophobicContact CG-CD1 4.21Å
386E72.4Confident71.3Confident71 Ų7173.3 Ų73.333%0.33238%0.378SS..Hα-helixtrans-63.1-39.9179.4-156.4-153.4163.400112.1Q382 M383 L389 R390Q382-E386 PolarHBondContact O-N 3.48Å; M383-E386 PolarHBondContact O-N 3.27Å; E386-L389 PolarHBondContact O-N 3.43Å; E386-R390 WeakPolarHBondContact O-CB 3.42Å; E386-R390 VanDerWaalsContact O-CG 3.24Å; E386-R390 WeakPolarHBondContact O-CG 3.45Å; E386-R390 PolarHBondContact O-N 3.23Å; E386-R390 IonicContact OE1-CZ 3.77Å; E386-R390 IonicContact OE1-NE 3.07Å; E386-R390 PolarHBondContact OE1-NE 3.46Å; E386-R390 VanDerWaalsContact OE1-NE 3.08Å; E386-R390 IonicContact OE1-NH2 3.59Å; E386-R390 PolarHBondContact OE1-NH2 3.46Å; E386-R390 IonicContact OE2-CZ 2.63Å; E386-R390 IonicContact OE2-NH2 3.33Å; E386-R390 PolarHBondContact OE2-NH2 3.43Å
387Q71.7Confident70Confident117 Ų11773 Ų7355%0.54739%0.385SS..Hα-helixtrans-63.7-48.2176.7-173167.95.600111.5M383 R384 L385 L389 R390 D391M383-Q387 PolarHBondContact O-N 3.12Å; R384-Q387 PolarHBondContact O-N 2.83Å; L385-Q387 VanDerWaalsContact C-N 3.32Å; L385-Q387 PolarHBondContact O-N 3.46Å; Q387-L389 VanDerWaalsContact C-N 3.31Å; Q387-L389 PolarHBondContact O-N 3.24Å; Q387-R390 CarbonylContact O-C 3.59Å; Q387-R390 WeakPolarHBondContact O-CA 3.29Å; Q387-R390 WeakPolarHBondContact O-CB 3.34Å; Q387-R390 PolarHBondContact O-N 3.08Å; Q387-D391 VanDerWaalsContact O-CG 3.22Å; Q387-D391 PolarHBondContact O-N 3.4Å
388R73.4Confident68.5Low17 Ų1777.5 Ų77.56%0.06441%0.411CS..Hα-helixtrans-64.1-35.9177.4-70.7170.362.81265112.9R384 L385 D391 G392 Q393 E394 E491 S492R384-R388 WeakPolarHBondContact O-CG 3.47Å; R384-R388 PolarHBondContact O-N 3.45Å; L385-R388 PolarHBondContact O-N 2.91Å; R388-D391 PolarHBondContact O-N 3.03Å; R388-G392 PolarHBondContact O-N 3.17Å; R388-G392 VanDerWaalsContact O-N 3.13Å; R388-Q393 HydrophobicContact CB-CB 4.42Å; R388-Q393 PolarHBondContact O-N 3.27Å; R388-E394 HydrophobicContact CB-CG 3.92Å; R388-E394 IonicContact CZ-OE1 3.3Å; R388-E394 IonicContact NE-OE1 3.99Å; R388-E394 PolarHBondContact NE-OE1 3.33Å; R388-E394 IonicContact NH2-OE1 2.68Å; R388-E394 PolarHBondContact NH2-OE1 3.37Å; R388-E491 PolarHBondContact NH2-O 3.13Å; R388-S492 PolarHBondContact NH1-O 3.29Å
389L69.4Low67.2Low13 Ų1374.8 Ų74.87%0.06841%0.405CS..Hα-helixtrans-60.1-49.7169.4-77.7170.4000110.3L385 E386 Q387 D391 G392 E394 H456L385-L389 HydrophobicContact CD1-CD1 4.32Å; L385-L389 HydrophobicContact CD1-CG 4.36Å; L385-L389 HydrophobicContact CG-CD1 4.11Å; L385-L389 WeakPolarHBondContact O-CB 3.36Å; L385-L389 VanDerWaalsContact O-CG 3.29Å; L385-L389 WeakPolarHBondContact O-CG 3.17Å; L385-L389 PolarHBondContact O-N 2.97Å; E386-L389 PolarHBondContact O-N 3.43Å; Q387-L389 VanDerWaalsContact C-N 3.31Å; Q387-L389 PolarHBondContact O-N 3.24Å; L389-D391 PolarHBondContact O-N 3.06Å; L389-G392 PolarHBondContact O-N 3.12Å; L389-E394 HydrophobicContact CD2-CB 3.94Å; L389-E394 WeakPolarHBondContact CD2-O 2.95Å; L389-E394 HydrophobicContact CG-CB 4.37Å; L389-H456 CarbonylContact C-O 3.51Å; L389-H456 HydrophobicContact CB-CB 4.34Å; L389-H456 CarbonylContact O-C 3.38Å
390R65.8Low65.8Low120 Ų12080 Ų8045%0.45343%0.427SS..Hα-helixtrans-59.6-33.8178.9-73.8170.2-176.4173.83.3112.9E386 Q387 G392 H456E386-R390 WeakPolarHBondContact O-CB 3.42Å; E386-R390 VanDerWaalsContact O-CG 3.24Å; E386-R390 WeakPolarHBondContact O-CG 3.45Å; E386-R390 PolarHBondContact O-N 3.23Å; E386-R390 IonicContact OE1-CZ 3.77Å; E386-R390 IonicContact OE1-NE 3.07Å; E386-R390 PolarHBondContact OE1-NE 3.46Å; E386-R390 VanDerWaalsContact OE1-NE 3.08Å; E386-R390 IonicContact OE1-NH2 3.59Å; E386-R390 PolarHBondContact OE1-NH2 3.46Å; E386-R390 IonicContact OE2-CZ 2.63Å; E386-R390 IonicContact OE2-NH2 3.33Å; E386-R390 PolarHBondContact OE2-NH2 3.43Å; Q387-R390 CarbonylContact O-C 3.59Å; Q387-R390 WeakPolarHBondContact O-CA 3.29Å; Q387-R390 WeakPolarHBondContact O-CB 3.34Å; Q387-R390 PolarHBondContact O-N 3.08Å; R390-G392 VanDerWaalsContact C-N 3.26Å; R390-H456 WeakPolarHBondContact CA-O 3.14Å
391D65.9Low64.6Low107 Ų10781.3 Ų81.357%0.57242%0.424SS*.THydrogen-bonded Turntrans-82.3-4.9178.6-62.6-22.6000112.4Q387 R388 L389 Q393Q387-D391 VanDerWaalsContact O-CG 3.22Å; Q387-D391 PolarHBondContact O-N 3.4Å; R388-D391 PolarHBondContact O-N 3.03Å; L389-D391 PolarHBondContact O-N 3.06Å; D391-Q393 VanDerWaalsContact C-N 3.3Å; D391-Q393 PolarHBondContact O-N 3.01Å
392G66.1Low63.4Low42 Ų4287.5 Ų87.543%0.43345%0.451SS..THydrogen-bonded Turntrans75.715.2177.400000114.4R388 L389 R390R388-G392 PolarHBondContact O-N 3.17Å; R388-G392 VanDerWaalsContact O-N 3.13Å; L389-G392 PolarHBondContact O-N 3.12Å; R390-G392 VanDerWaalsContact C-N 3.26Å
393Q64.2Low62.2Low80 Ų8084.5 Ų84.537%0.37444%0.442SS..  trans-82.9-19.4-177.1-169.3173.8-10.300112.9R388 D391R388-Q393 HydrophobicContact CB-CB 4.42Å; R388-Q393 PolarHBondContact O-N 3.27Å; D391-Q393 VanDerWaalsContact C-N 3.3Å; D391-Q393 PolarHBondContact O-N 3.01Å
394E62.6Low61.1Low41 Ų4179.5 Ų79.519%0.19242%0.42CS..SBendtrans-121.3134.5179-66.4-71.2164.600110.5R388 L389R388-E394 HydrophobicContact CB-CG 3.92Å; R388-E394 IonicContact CZ-OE1 3.3Å; R388-E394 IonicContact NE-OE1 3.99Å; R388-E394 PolarHBondContact NE-OE1 3.33Å; R388-E394 IonicContact NH2-OE1 2.68Å; R388-E394 PolarHBondContact NH2-OE1 3.37Å; L389-E394 HydrophobicContact CD2-CB 3.94Å; L389-E394 WeakPolarHBondContact CD2-O 2.95Å; L389-E394 HydrophobicContact CG-CB 4.37Å
395D56.6Low60.2Low133 Ų13377.7 Ų77.771%0.71142%0.419SS*.  trans-79.7127.2170.8-78.2-37.1000109S397 V398D395-S397 PolarHBondContact O-N 2.89Å; D395-V398 PolarHBondContact O-N 3.06Å
396G52.9Low59.6Low48 Ų4877.9 Ų77.950%0.49542%0.418SS..THydrogen-bonded Turntrans-59.13.2-178.600000116.1
397S48.9Very low59Low109 Ų10976.2 Ų76.276%0.76241%0.41SS*.THydrogen-bonded Turntrans-79.3-15.3174.5178.90000114.2D395 I399D395-S397 PolarHBondContact O-N 2.89Å; S397-I399 PolarHBondContact O-N 3.23Å
398V47.4Very low58.6Low108 Ų10879 Ų7966%0.65542%0.415SS*.SBendtrans-75.3-9.5-1761790000112.3D395 E400D395-V398 PolarHBondContact O-N 3.06Å; V398-E400 PolarHBondContact O-N 3.03Å
399I51.4Low57.9Low56 Ų5686.3 Ų86.329%0.28745%0.45SS..  trans-86.8107.7-178.5-36.1176.5000108.3S397 R401S397-I399 PolarHBondContact O-N 3.23Å; I399-R401 HydrophobicContact CB-CB 4.3Å; I399-R401 HydrophobicContact CB-CG 4.13Å; I399-R401 HydrophobicContact CG2-CB 3.9Å; I399-R401 HydrophobicContact CG2-CG 3.43Å; I399-R401 VanDerWaalsContact CG2-CG 3.43Å; I399-R401 PolarHBondContact O-N 2.73Å
400E50Low57.7Low168 Ų16888.3 Ų88.379%0.78546%0.463SS*.  trans-63.264.4149.6-81.5-167.615200108R370 V398 Q402R370-E400 IonicContact NH1-OE2 3.15Å; V398-E400 PolarHBondContact O-N 3.03Å; E400-Q402 VanDerWaalsContact C-N 3.27Å; E400-Q402 PolarHBondContact O-N 3.32Å
401R53.5Low57.8Low80 Ų8090.7 Ų90.730%0.30248%0.476SS..  trans-68.598.9170.8-110.9159-168.9-159.2-5.1104.3I399 V403 E438 D441I399-R401 HydrophobicContact CB-CB 4.3Å; I399-R401 HydrophobicContact CB-CG 4.13Å; I399-R401 HydrophobicContact CG2-CB 3.9Å; I399-R401 HydrophobicContact CG2-CG 3.43Å; I399-R401 VanDerWaalsContact CG2-CG 3.43Å; I399-R401 PolarHBondContact O-N 2.73Å; R401-V403 VanDerWaalsContact C-N 3.34Å; R401-V403 PolarHBondContact O-N 2.99Å; R401-E438 WeakPolarHBondContact CD-OE1 3.29Å; R401-E438 IonicContact CZ-OE1 2.84Å; R401-E438 IonicContact NE-OE1 3.86Å; R401-E438 IonicContact NH1-OE1 2.88Å; R401-E438 PolarHBondContact NH1-OE1 3.35Å; R401-D441 IonicContact CZ-OD2 2.71Å; R401-D441 IonicContact NE-OD2 3.87Å; R401-D441 IonicContact NH1-OD2 3.38Å; R401-D441 PolarHBondContact NH1-OD2 3.12Å; R401-D441 IonicContact NH2-OD2 3.42Å; R401-D441 PolarHBondContact NH2-OD2 3.29Å
402Q52.5Low58Low151 Ų15186.4 Ų86.471%0.70646%0.458SS*.  trans-47.7104.4172.8-163.9171.43200107.4E400 G404E400-Q402 VanDerWaalsContact C-N 3.27Å; E400-Q402 PolarHBondContact O-N 3.32Å; Q402-G404 PolarHBondContact O-N 2.81Å
403V52.9Low58.5Low63 Ų6390.1 Ų90.138%0.38247%0.466SS..SBendtrans-56.1117.5-171.1176.10000106.9R401 W423 E425R401-V403 VanDerWaalsContact C-N 3.34Å; R401-V403 PolarHBondContact O-N 2.99Å; V403-W423 HydrophobicContact CG1-CH2 4.37Å; V403-W423 HydrophobicContact CG1-CZ2 3.98Å; V403-E425 HydrophobicContact CB-CG 3.99Å; V403-E425 HydrophobicContact CG1-CG 3.82Å
404G55Low59Low14 Ų1487.3 Ų87.314%0.14446%0.458CS..  trans113.330.9-17600000116.7Q402 F406 E407Q402-G404 PolarHBondContact O-N 2.81Å; G404-F406 PolarHBondContact O-N 3.15Å; G404-F406 VanDerWaalsContact O-N 3.14Å; G404-E407 WeakPolarHBondContact O-CA 3.31Å; G404-E407 VanDerWaalsContact O-CB 3.31Å; G404-E407 WeakPolarHBondContact O-CB 2.96Å; G404-E407 PolarHBondContact O-N 3.07Å
405T55.9Low59.7Low46 Ų4689.6 Ų89.628%0.28247%0.465SS..THydrogen-bonded Turntrans-50.9-33.4166.4450000112.6E407 R408T405-E407 PolarHBondContact O-N 2.89Å; T405-R408 WeakPolarHBondContact O-CB 3.46Å; T405-R408 PolarHBondContact O-N 3.1Å
406F62.7Low60.7Low51 Ų5189.8 Ų89.822%0.22446%0.46CS..THydrogen-bonded Turntrans-64.9-16.4172.872.1-92.1000114.5G404 T410 M418 W423 A439G404-F406 PolarHBondContact O-N 3.15Å; G404-F406 VanDerWaalsContact O-N 3.14Å; F406-T410 WeakPolarHBondContact O-CG2 3.24Å; F406-T410 PolarHBondContact O-OG1 3.15Å; F406-M418 HydrophobicContact CE1-SD 4.29Å; F406-M418 HydrophobicContact CE2-CE 4.23Å; F406-M418 HydrophobicContact CE2-SD 3.89Å; F406-M418 HydrophobicContact CZ-CE 4.31Å; F406-M418 HydrophobicContact CZ-SD 3.62Å; F406-W423 HydrophobicContact CZ-CH2 4.46Å; F406-A439 HydrophobicContact CD1-CB 3.98Å; F406-A439 HydrophobicContact CE1-CB 4.43Å
407E60.8Low62Low36 Ų3690.7 Ų90.717%0.16846%0.456CS..Hα-helixtrans-88.9-19.1-179.9-59.9-168.8-173.500113.7G404 T405 H409 T410 K411 R415G404-E407 WeakPolarHBondContact O-CA 3.31Å; G404-E407 VanDerWaalsContact O-CB 3.31Å; G404-E407 WeakPolarHBondContact O-CB 2.96Å; G404-E407 PolarHBondContact O-N 3.07Å; T405-E407 PolarHBondContact O-N 2.89Å; E407-H409 PolarHBondContact O-N 3.38Å; E407-T410 WeakPolarHBondContact CA-OG1 3.35Å; E407-T410 PolarHBondContact O-N 3.43Å; E407-K411 PolarHBondContact O-N 3.08Å; E407-R415 WeakPolarHBondContact OE1-CA 3.45Å; E407-R415 WeakPolarHBondContact OE1-CB 3.34Å; E407-R415 WeakPolarHBondContact OE1-CD 3.25Å; E407-R415 WeakPolarHBondContact OE1-CG 3.2Å; E407-R415 WeakPolarHBondContact OE2-CD 3.26Å
408R63Low63.3Low176 Ų17688 Ų8866%0.66443%0.432SS*.Hα-helixtrans-50.6-34.4176.1-70.5-176.9174-178.9-2112T405T405-R408 WeakPolarHBondContact O-CB 3.46Å; T405-R408 PolarHBondContact O-N 3.1Å
409H58.9Low64.9Low170 Ų17087 Ų8779%0.78742%0.42SS*.Hα-helixtrans-109-15.1-178.8-57-61.5000114.7E407E407-H409 PolarHBondContact O-N 3.38Å
410T65Low66.3Low55 Ų5594.6 Ų94.634%0.33745%0.445SS..Hα-helixtrans-102.64.6-171.862.20000114.8F406 E407 G412 I413F406-T410 WeakPolarHBondContact O-CG2 3.24Å; F406-T410 PolarHBondContact O-OG1 3.15Å; E407-T410 WeakPolarHBondContact CA-OG1 3.35Å; E407-T410 PolarHBondContact O-N 3.43Å; T410-G412 PolarHBondContact O-N 3.11Å; T410-G412 VanDerWaalsContact O-N 3.09Å; T410-I413 WeakPolarHBondContact O-CB 3.5Å; T410-I413 WeakPolarHBondContact O-CG1 3.41Å; T410-I413 PolarHBondContact O-N 3.25Å
411K67.3Low67.6Low171 Ų17192.5 Ų92.574%0.74344%0.435SS*.THydrogen-bonded Turntrans49.836.1175.3-57.9-176-179.6178.30113.3E407 I413E407-K411 PolarHBondContact O-N 3.08Å; K411-I413 VanDerWaalsContact C-N 3.3Å; K411-I413 PolarHBondContact O-N 3.07Å
412G69.6Low68.5Low17 Ų1790.5 Ų90.518%0.17544%0.439CS..THydrogen-bonded Turntrans73.510.1179.200000115.7T410 K416T410-G412 PolarHBondContact O-N 3.11Å; T410-G412 VanDerWaalsContact O-N 3.09Å; G412-K416 WeakPolarHBondContact O-CG 3.46Å; G412-K416 PolarHBondContact O-N 2.98Å; G412-K416 VanDerWaalsContact O-N 3.17Å
413I77.1Confident69.7Low120 Ų12084.1 Ų84.162%0.61541%0.409SS*.Hα-helixtrans-68.5-44.2172-61.8172.3000109.9T410 K411 R415 K416 V417T410-I413 WeakPolarHBondContact O-CB 3.5Å; T410-I413 WeakPolarHBondContact O-CG1 3.41Å; T410-I413 PolarHBondContact O-N 3.25Å; K411-I413 VanDerWaalsContact C-N 3.3Å; K411-I413 PolarHBondContact O-N 3.07Å; I413-R415 VanDerWaalsContact C-N 3.34Å; I413-R415 PolarHBondContact O-N 3Å; I413-K416 PolarHBondContact O-N 3.13Å; I413-V417 WeakPolarHBondContact O-CG2 3.49Å; I413-V417 PolarHBondContact O-N 3.29Å; I413-V417 VanDerWaalsContact O-N 3.12Å
414G74.1Confident70.6Confident20 Ų2083.1 Ų83.121%0.20641%0.407CS..Hα-helixtrans-56.5-49175.500000111.4K416 V417 M418G414-K416 PolarHBondContact O-N 3.49Å; G414-V417 PolarHBondContact O-N 3.4Å; G414-M418 WeakPolarHBondContact O-CG 3.39Å; G414-M418 PolarHBondContact O-N 3.03Å
415R77.3Confident71.2Confident90 Ų9088.1 Ų88.134%0.3443%0.426SS..Hα-helixtrans-49.5-57.4174.3-157.5174.6169.5142.97.3113.2E407 I413 V417 M418 E419 W423 E425E407-R415 WeakPolarHBondContact OE1-CA 3.45Å; E407-R415 WeakPolarHBondContact OE1-CB 3.34Å; E407-R415 WeakPolarHBondContact OE1-CD 3.25Å; E407-R415 WeakPolarHBondContact OE1-CG 3.2Å; E407-R415 WeakPolarHBondContact OE2-CD 3.26Å; I413-R415 VanDerWaalsContact C-N 3.34Å; I413-R415 PolarHBondContact O-N 3Å; R415-V417 PolarHBondContact O-N 2.9Å; R415-M418 PolarHBondContact O-N 2.5Å; R415-M418 VanDerWaalsContact O-N 3.11Å; R415-E419 HydrophobicContact CG-CG 4.32Å; R415-E419 WeakPolarHBondContact CG-OE1 3.35Å; R415-E419 IonicContact CZ-OE1 3.8Å; R415-E419 IonicContact NE-OE1 3.82Å; R415-E419 PolarHBondContact NE-OE1 3.29Å; R415-E419 IonicContact NH2-OE1 3.61Å; R415-E419 WeakPolarHBondContact O-CB 3.3Å; R415-E419 WeakPolarHBondContact O-CG 3.19Å; R415-E419 PolarHBondContact O-N 3.03Å; R415-W423 HydrophobicContact CG-CZ3 4.04Å; R415-E425 IonicContact NH2-OE2 3.14Å
416K77.7Confident71.7Confident137 Ų13788.5 Ų88.560%0.59644%0.44SS*.Hα-helixtrans-62-31.2-176.8-76.6177.5179.9175.60112.6G412 I413 G414 R420G412-K416 WeakPolarHBondContact O-CG 3.46Å; G412-K416 PolarHBondContact O-N 2.98Å; G412-K416 VanDerWaalsContact O-N 3.17Å; I413-K416 PolarHBondContact O-N 3.13Å; G414-K416 PolarHBondContact O-N 3.49Å; K416-R420 WeakPolarHBondContact O-CD 3.18Å; K416-R420 WeakPolarHBondContact O-CG 3.49Å; K416-R420 PolarHBondContact O-N 3.32Å
417V81.4Confident72.1Confident67 Ų6790.9 Ų90.941%0.40645%0.451SS..Hα-helixtrans-75.5-42.3176.4173.90000110.7I413 G414 R415 R420 Q421I413-V417 WeakPolarHBondContact O-CG2 3.49Å; I413-V417 PolarHBondContact O-N 3.29Å; I413-V417 VanDerWaalsContact O-N 3.12Å; G414-V417 PolarHBondContact O-N 3.4Å; R415-V417 PolarHBondContact O-N 2.9Å; V417-R420 PolarHBondContact O-N 2.72Å; V417-Q421 WeakPolarHBondContact O-CG 3.48Å; V417-Q421 PolarHBondContact O-N 2.71Å
418M76.2Confident72.5Confident53 Ų5389.2 Ų89.226%0.26144%0.444SS..Hα-helixtrans-67.3-43.6177.7-70.4-175.4175.500111.9F406 G414 R415 R420 Q421 G422 W423 L429F406-M418 HydrophobicContact CE1-SD 4.29Å; F406-M418 HydrophobicContact CE2-CE 4.23Å; F406-M418 HydrophobicContact CE2-SD 3.89Å; F406-M418 HydrophobicContact CZ-CE 4.31Å; F406-M418 HydrophobicContact CZ-SD 3.62Å; G414-M418 WeakPolarHBondContact O-CG 3.39Å; G414-M418 PolarHBondContact O-N 3.03Å; R415-M418 PolarHBondContact O-N 2.5Å; R415-M418 VanDerWaalsContact O-N 3.11Å; M418-R420 VanDerWaalsContact C-N 3.29Å; M418-R420 PolarHBondContact O-N 3.2Å; M418-Q421 CarbonylContact O-C 3.49Å; M418-Q421 WeakPolarHBondContact O-CA 3.49Å; M418-Q421 PolarHBondContact O-N 3.38Å; M418-G422 PolarHBondContact O-N 2.94Å; M418-W423 HydrophobicContact CB-CB 3.77Å; M418-W423 HydrophobicContact CB-CD2 4.05Å; M418-W423 HydrophobicContact CB-CE3 4.04Å; M418-W423 HydrophobicContact CB-CG 3.98Å; M418-W423 VanDerWaalsContact O-CB 3.22Å; M418-W423 WeakPolarHBondContact O-CB 3.29Å; M418-W423 PolarHBondContact O-N 3.38Å; M418-L429 HydrophobicContact CB-CD2 4.05Å; M418-L429 HydrophobicContact CG-CD2 4.09Å
419E80.4Confident73Confident87 Ų8783.9 Ų83.941%0.40743%0.429SS..Hα-helixtrans-58.8-39.7175.1-74.4174.317400111.6R415 Q421 G422 W423R415-E419 HydrophobicContact CG-CG 4.32Å; R415-E419 WeakPolarHBondContact CG-OE1 3.35Å; R415-E419 IonicContact CZ-OE1 3.8Å; R415-E419 IonicContact NE-OE1 3.82Å; R415-E419 PolarHBondContact NE-OE1 3.29Å; R415-E419 IonicContact NH2-OE1 3.61Å; R415-E419 WeakPolarHBondContact O-CB 3.3Å; R415-E419 WeakPolarHBondContact O-CG 3.19Å; R415-E419 PolarHBondContact O-N 3.03Å; E419-Q421 PolarHBondContact O-N 3.42Å; E419-G422 PolarHBondContact O-N 2.78Å; E419-W423 WeakPolarHBondContact CA-O 3.39Å; E419-W423 HydrophobicContact CG-CE3 4.12Å
420R80.8Confident73.5Confident214 Ų21477.1 Ų77.181%0.80841%0.405SS*.Hα-helixtrans-64.1-23.9173.3-76.6171.6-176.6-172.30.6113.4K416 V417 M418 G422K416-R420 WeakPolarHBondContact O-CD 3.18Å; K416-R420 WeakPolarHBondContact O-CG 3.49Å; K416-R420 PolarHBondContact O-N 3.32Å; V417-R420 PolarHBondContact O-N 2.72Å; M418-R420 VanDerWaalsContact C-N 3.29Å; M418-R420 PolarHBondContact O-N 3.2Å; R420-G422 VanDerWaalsContact C-N 3.34Å
421Q77.3Confident73.4Confident125 Ų12580.4 Ų80.458%0.58443%0.43SS*.THydrogen-bonded Turntrans-9511.2176.2-64.6-177.61800112.6V417 M418 E419 L429 G430V417-Q421 WeakPolarHBondContact O-CG 3.48Å; V417-Q421 PolarHBondContact O-N 2.71Å; M418-Q421 CarbonylContact O-C 3.49Å; M418-Q421 WeakPolarHBondContact O-CA 3.49Å; M418-Q421 PolarHBondContact O-N 3.38Å; E419-Q421 PolarHBondContact O-N 3.42Å; Q421-L429 HydrophobicContact CB-CD2 4.17Å; Q421-G430 WeakPolarHBondContact O-CA 3.43Å; Q421-G430 PolarHBondContact O-N 2.79Å
422G73.6Confident73.7Confident37 Ų3782.9 Ų82.938%0.38144%0.435SS..THydrogen-bonded Turntrans88.616.6174.300000114.8M418 E419 R420M418-G422 PolarHBondContact O-N 2.94Å; E419-G422 PolarHBondContact O-N 2.78Å; R420-G422 VanDerWaalsContact C-N 3.34Å
423W77.3Confident73.5Confident18 Ų1884.6 Ų84.67%0.06844%0.443CS..  trans-80.1141.7173.1-178.680.1000111.5V403 F406 R415 M418 E419 Q427 L429V403-W423 HydrophobicContact CG1-CH2 4.37Å; V403-W423 HydrophobicContact CG1-CZ2 3.98Å; F406-W423 HydrophobicContact CZ-CH2 4.46Å; R415-W423 HydrophobicContact CG-CZ3 4.04Å; M418-W423 HydrophobicContact CB-CB 3.77Å; M418-W423 HydrophobicContact CB-CD2 4.05Å; M418-W423 HydrophobicContact CB-CE3 4.04Å; M418-W423 HydrophobicContact CB-CG 3.98Å; M418-W423 VanDerWaalsContact O-CB 3.22Å; M418-W423 WeakPolarHBondContact O-CB 3.29Å; M418-W423 PolarHBondContact O-N 3.38Å; E419-W423 WeakPolarHBondContact CA-O 3.39Å; E419-W423 HydrophobicContact CG-CE3 4.12Å; W423-Q427 PolarHBondContact NE1-O 3.25Å; W423-L429 HydrophobicContact CB-CD2 3.78Å; W423-L429 HydrophobicContact CB-CG 4.01Å; W423-L429 HydrophobicContact CG-CD2 4.38Å; W423-L429 HydrophobicContact CG-CG 4.2Å
424A71.6Confident72.9Confident42 Ų4284.1 Ų84.135%0.34745%0.451SS..BIsolated β-bridgetrans-137.4156.7170.700000108.7G426 Q427A424-G426 PolarHBondContact O-N 2.66Å; A424-G426 VanDerWaalsContact O-N 3.16Å; A424-Q427 HydrophobicContact CB-CB 4.3Å; A424-Q427 PolarHBondContact O-N 2.82Å
425E66.9Low72.4Confident118 Ų11884.6 Ų84.655%0.55146%0.456SS*.THydrogen-bonded Turntrans-58.7119.2-178.5-149.8163.8171.600110.1V403 R415V403-E425 HydrophobicContact CB-CG 3.99Å; V403-E425 HydrophobicContact CG1-CG 3.82Å; R415-E425 IonicContact NH2-OE2 3.14Å
426G66.5Low71.7Confident55 Ų5584.9 Ų84.957%0.56747%0.467SS*.THydrogen-bonded Turntrans84.12.5-173.400000116A424A424-G426 PolarHBondContact O-N 2.66Å; A424-G426 VanDerWaalsContact O-N 3.16Å
427Q71.2Confident71Confident100 Ų10081.3 Ų81.347%0.46746%0.458SS..BIsolated β-bridgetrans-120145.3176.3-63.7-166.5-2.700112.3W423 A424 C433W423-Q427 PolarHBondContact NE1-O 3.25Å; A424-Q427 HydrophobicContact CB-CB 4.3Å; A424-Q427 PolarHBondContact O-N 2.82Å; Q427-C433 HydrophobicContact CB-CB 4.25Å; Q427-C433 PolarHBondContact OE1-SG 2.84Å
428G70.1Confident70Confident2 Ų282.2 Ų82.22%0.02146%0.458CS..  trans-66.7156.4177.800000114C433 G435G428-C433 WeakPolarHBondContact O-CA 3.18Å; G428-G435 WeakPolarHBondContact CA-O 3.49Å
429L72.8Confident69.5Low64 Ų6481.7 Ų81.734%0.33546%0.462SS..SBendtrans-63.9143.7172.7-84.4146.4000112.6M418 Q421 W423M418-L429 HydrophobicContact CB-CD2 4.05Å; M418-L429 HydrophobicContact CG-CD2 4.09Å; Q421-L429 HydrophobicContact CB-CD2 4.17Å; W423-L429 HydrophobicContact CB-CD2 3.78Å; W423-L429 HydrophobicContact CB-CG 4.01Å; W423-L429 HydrophobicContact CG-CD2 4.38Å; W423-L429 HydrophobicContact CG-CG 4.2Å
430G68.7Low68.6Low27 Ų2782.5 Ų82.528%0.27847%0.469SS..SBendtrans101.5164.717300000114.9Q421 R432 C433Q421-G430 WeakPolarHBondContact O-CA 3.43Å; Q421-G430 PolarHBondContact O-N 2.79Å; G430-R432 PolarHBondContact O-N 3.31Å; G430-C433 PolarHBondContact O-N 3.39Å
431S64.5Low67.5Low125 Ų12575 Ų7587%0.87444%0.444SS*.THydrogen-bonded Turntrans-64.4-7.9-170.766.20000116.2
432R72.3Confident66.5Low222 Ų22272.9 Ų72.984%0.83846%0.456SS*.THydrogen-bonded Turntrans-117.26.8176.2-67-173177.5-130.50.2112.7G430 S434G430-R432 PolarHBondContact O-N 3.31Å; R432-S434 PolarHBondContact O-N 3Å; R432-S434 VanDerWaalsContact O-N 3.08Å
433C65.6Low65.7Low53 Ų5377.2 Ų77.236%0.35847%0.471SS..  trans50.431.3-176.3-49.70000113.9Q427 G428 G430Q427-C433 HydrophobicContact CB-CB 4.25Å; Q427-C433 PolarHBondContact OE1-SG 2.84Å; G428-C433 WeakPolarHBondContact O-CA 3.18Å; G430-C433 PolarHBondContact O-N 3.39Å
434S65.6Low64.7Low110 Ų11080 Ų8077%0.76951%0.505SS*.  trans-89.20.5-17467.60000114R432R432-S434 PolarHBondContact O-N 3Å; R432-S434 VanDerWaalsContact O-N 3.08Å
435G63.5Low64.1Low30 Ų3082.2 Ų82.231%0.30951%0.508SS..SBendtrans-75.1166.9173.900000112.4G428G428-G435 WeakPolarHBondContact CA-O 3.49Å
436V62.6Low63.5Low96 Ų9682.5 Ų82.558%0.58251%0.509SS*.  trans-63.1126.9172.4-173.20000108.3E438V436-E438 VanDerWaalsContact C-N 3.32Å; V436-E438 VanDerWaalsContact CG1-O 3.28Å; V436-E438 WeakPolarHBondContact CG1-O 3.47Å
437P62.1Low63.3Low63 Ų6386.1 Ų86.141%0.40952%0.522SS..SBendtrans-72.7-26.7-176.927.7-33.9000112.7
438E61.3Low62.7Low86 Ų8691.7 Ų91.740%0.40254%0.539SS..SBendtrans-99.7135.9177.7-164.9-177.4157.700110.4R401 V436 L440R401-E438 WeakPolarHBondContact CD-OE1 3.29Å; R401-E438 IonicContact CZ-OE1 2.84Å; R401-E438 IonicContact NE-OE1 3.86Å; R401-E438 IonicContact NH1-OE1 2.88Å; R401-E438 PolarHBondContact NH1-OE1 3.35Å; V436-E438 VanDerWaalsContact C-N 3.32Å; V436-E438 VanDerWaalsContact CG1-O 3.28Å; V436-E438 WeakPolarHBondContact CG1-O 3.47Å; E438-L440 PolarHBondContact O-N 3.35Å
439A64.1Low62.2Low42 Ų4294.3 Ų94.335%0.34756%0.557SS.*PPolyproline II helixtrans-69128.9174.800000109.3F406 D441F406-A439 HydrophobicContact CD1-CB 3.98Å; F406-A439 HydrophobicContact CE1-CB 4.43Å; A439-D441 PolarHBondContact O-N 3.22Å
440L62.3Low61.6Low104 Ų104101.5 Ų101.555%0.54559%0.585SS.*PPolyproline II helixtrans-68.3124.4170.4-61.6177.4000108.5E438 L453E438-L440 PolarHBondContact O-N 3.35Å; L440-L453 HydrophobicContact CD1-CB 4.39Å
441D57.6Low61.2Low56 Ų56103.8 Ų103.830%0.29959%0.585SS.*PPolyproline II helixtrans-62.8143.7177.8-69.6-44.5000110.8R401 A439 D443R401-D441 IonicContact CZ-OD2 2.71Å; R401-D441 IonicContact NE-OD2 3.87Å; R401-D441 IonicContact NH1-OD2 3.38Å; R401-D441 PolarHBondContact NH1-OD2 3.12Å; R401-D441 IonicContact NH2-OD2 3.42Å; R401-D441 PolarHBondContact NH2-OD2 3.29Å; A439-D441 PolarHBondContact O-N 3.22Å; D441-D443 PolarHBondContact O-N 3Å
442G57Low60.9Low81 Ų81100 Ų10084%0.83557%0.567SS**  trans-77.730.9-176.700000114G444G442-G444 PolarHBondContact O-N 3.46Å
443D56.8Low60.3Low128 Ų12895.7 Ų95.768%0.68456%0.559SS**  trans-72.4102.7178.2-68.3-30.3000108.2D441 Q445D441-D443 PolarHBondContact O-N 3Å; D443-Q445 PolarHBondContact O-N 3.4Å
444G56.2Low60Low76 Ų7695.3 Ų95.378%0.78457%0.565SS**PPolyproline II helixtrans-52.6124.6-178.900000110.5G442 H446G442-G444 PolarHBondContact O-N 3.46Å; G444-H446 PolarHBondContact O-N 2.82Å
445Q58.4Low59.9Low89 Ų8993.9 Ų93.942%0.41654%0.543SS..PPolyproline II helixtrans-68.3132.4176.6-66.9-167.4-23.600110.5D443 R451 G452D443-Q445 PolarHBondContact O-N 3.4Å; Q445-R451 PolarHBondContact NE2-O 3.34Å; Q445-R451 PolarHBondContact OE1-O 3.09Å; Q445-G452 VanDerWaalsContact NE2-C 3.29Å; Q445-G452 PolarHBondContact NE2-O 2.95Å
446H54.7Low59.8Low124 Ų12495.9 Ų95.957%0.57454%0.544SS*.PPolyproline II helixtrans-60.3137.2169.1-173.9-92.1000109.6G444 R448 C449G444-H446 PolarHBondContact O-N 2.82Å; H446-R448 PolarHBondContact ND1-N 3.12Å; H446-R448 PolarHBondContact O-N 2.87Å; H446-C449 HydrophobicContact CB-CB 4.48Å; H446-C449 WeakPolarHBondContact O-CB 3.36Å; H446-C449 PolarHBondContact O-N 3.06Å
447P63.1Low59.7Low130 Ų13092.8 Ų92.884%0.84453%0.531SS*.THydrogen-bonded Turntrans-57.3-17.8-174.2-26.733.5000115.8
448R57.3Low59.6Low218 Ų21896.6 Ų96.682%0.82354%0.543SS*.THydrogen-bonded Turntrans-94.4-8.4177-63-175.6176.9165.7-1.8114H446 K450H446-R448 PolarHBondContact ND1-N 3.12Å; H446-R448 PolarHBondContact O-N 2.87Å; R448-K450 PolarHBondContact O-N 2.73Å
449C59.1Low59.2Low57 Ų57101.2 Ų101.239%0.38556%0.562SS.*  trans-82.5110.2178.7-162.90000109.4H446 R451H446-C449 HydrophobicContact CB-CB 4.48Å; H446-C449 WeakPolarHBondContact O-CB 3.36Å; H446-C449 PolarHBondContact O-N 3.06Å; C449-R451 VanDerWaalsContact C-N 3.27Å; C449-R451 PolarHBondContact O-N 2.88Å
450K60.7Low58.8Low214 Ų214106.3 Ų106.393%0.9358%0.583SS**  trans-87.39.1178.9-63.9-177.7-179.1177.50113.4R448R448-K450 PolarHBondContact O-N 2.73Å
451R60.4Low58.5Low75 Ų75109.6 Ų109.628%0.28360%0.596SS.*SBendtrans-75.8137.2177.7-67.8168.664.3151.94.5108.5Q445 C449 Y455 H456Q445-R451 PolarHBondContact NE2-O 3.34Å; Q445-R451 PolarHBondContact OE1-O 3.09Å; C449-R451 VanDerWaalsContact C-N 3.27Å; C449-R451 PolarHBondContact O-N 2.88Å; R451-Y455 PolarHBondContact NE-O 3.22Å; R451-Y455 PolarHBondContact NH2-O 2.82Å; R451-H456 PolarHBondContact NH2-O 2.81Å
452G58.6Low57.8Low47 Ų47112.3 Ų112.349%0.48562%0.616SS.*PPolyproline II helixtrans-62.1157.7175.800000111.8Q445 G454 Y455Q445-G452 VanDerWaalsContact NE2-C 3.29Å; Q445-G452 PolarHBondContact NE2-O 2.95Å; G452-G454 PolarHBondContact O-N 3.11Å; G452-Y455 PolarHBondContact O-N 3.15Å
453L59.1Low57.4Low131 Ų131118.7 Ų118.769%0.68662%0.621SS**THydrogen-bonded Turntrans-57.6129.4175.2-76.7102.1000109.9L440 Y455L440-L453 HydrophobicContact CD1-CB 4.39Å; L453-Y455 PolarHBondContact O-N 2.73Å
454G58.7Low57.1Low45 Ų45116.1 Ų116.146%0.46463%0.625SS.*THydrogen-bonded Turntrans77.68.3179.200000116.1G452 H456G452-G454 PolarHBondContact O-N 3.11Å; G454-H456 PolarHBondContact O-CD2 3.37Å
455Y64.6Low56.7Low79 Ų79121.7 Ų121.731%0.3163%0.631SS.*  trans-92.5104.9179.9-172.5-102.8000112.4R451 G452 L453 G457 E458 L460R451-Y455 PolarHBondContact NE-O 3.22Å; R451-Y455 PolarHBondContact NH2-O 2.82Å; G452-Y455 PolarHBondContact O-N 3.15Å; L453-Y455 PolarHBondContact O-N 2.73Å; Y455-G457 WeakPolarHBondContact CE1-O 3.42Å; Y455-E458 PolarHBondContact OH-O 2.93Å; Y455-L460 WeakPolarHBondContact OH-CG 3.48Å; Y455-L460 PolarHBondContact OH-N 3.41Å
456H60.5Low55.9Low73 Ų73125.9 Ų125.934%0.33866%0.655SS.*  trans-97.4-17.3-176.2-66.1-78.2000115.5L389 R390 R451 G454L389-H456 CarbonylContact C-O 3.51Å; L389-H456 HydrophobicContact CB-CB 4.34Å; L389-H456 CarbonylContact O-C 3.38Å; R390-H456 WeakPolarHBondContact CA-O 3.14Å; R451-H456 PolarHBondContact NH2-O 2.81Å; G454-H456 PolarHBondContact O-CD2 3.37Å
457G61.4Low55.2Low30 Ų30129.4 Ų129.431%0.30967%0.669SS.*SBendtrans-91.3-176.5-176.300000118.1Y455Y455-G457 WeakPolarHBondContact CE1-O 3.42Å
458E60.1Low54.2Low143 Ų143134.7 Ų134.767%0.66867%0.672SS**SBendtrans-67.2146.7172.8-157.9-163.216500111.4Y455 L460Y455-E458 PolarHBondContact OH-O 2.93Å; E458-L460 PolarHBondContact O-N 2.68Å; E458-L460 VanDerWaalsContact O-N 3.07Å
459K53.6Low53.5Low184 Ų184129.5 Ų129.580%0.867%0.666SS**  trans-56.9111.9-174.3-173.4-177.9-178.5-173.90112Q461K459-Q461 PolarHBondContact O-N 3.33Å
460L55.4Low52.5Low149 Ų149138.4 Ų138.478%0.7869%0.692SS**  trans-50112.2178.2-65.7176.8000111.3Y455 E458Y455-L460 WeakPolarHBondContact OH-CG 3.48Å; Y455-L460 PolarHBondContact OH-N 3.41Å; E458-L460 PolarHBondContact O-N 2.68Å; E458-L460 VanDerWaalsContact O-N 3.07Å
461Q54.5Low51.7Low173 Ų173139.5 Ų139.581%0.80869%0.69SS**  trans-75.7136.7166.6-66.7-149.715.100109.6K459 F463K459-Q461 PolarHBondContact O-N 3.33Å; Q461-F463 PolarHBondContact O-N 2.95Å
462P43.2Very low50.8Low113 Ų113143.6 Ų143.673%0.73472%0.718SS**SBendtrans-76.4114.217624.2-18.4000109.6
463F49.6Very low50.2Low214 Ų214144.9 Ų144.994%0.93973%0.731SS**  trans68.597.5166.3-60.5-83.7000117.7Q461Q461-F463 PolarHBondContact O-N 2.95Å
464G50.9Low49.8Very low75 Ų75147.4 Ų147.477%0.77374%0.744SS**  trans-147.2129.7157.900000110.1
465Q47.8Very low49.6Very low193 Ų193149.1 Ų149.190%0.90276%0.762SS**PPolyproline II helixtrans-73.2128.1-176.5-70177.7-20.900111.8K467Q465-K467 PolarHBondContact O-N 3.13Å
466L41.4Very low49Very low177 Ų177152.3 Ų152.393%0.92778%0.784SS**PPolyproline II helixtrans-72.2118.6169.4-79.5151.2000110.4
467K38.3Very low48.9Very low197 Ų197156.5 Ų156.586%0.85781%0.807SS**PPolyproline II helixtrans-87.7136.6167.5-74.7-174.2178.9177.50109.6Q465Q465-K467 PolarHBondContact O-N 3.13Å
468R42Very low48.8Very low241 Ų241156.1 Ų156.191%0.90980%0.799SS**PPolyproline II helixtrans-85.2133.9174.2-68.8179.8174.1179.5-3.4110.5
469P43.1Very low49Very low109 Ų109152.4 Ų152.471%0.70879%0.787SS**PPolyproline II helixtrans-82.3150.5170.831.6-29.3000111.3
470R38.3Very low49.5Very low245 Ų245148.8 Ų148.893%0.92578%0.775SS**PPolyproline II helixtrans-93.8144.4177.1-80.3179.3165.3159.9-4.2109.5
471R44.5Very low49.8Very low237 Ų237149.9 Ų149.989%0.89477%0.77SS**PPolyproline II helixtrans-76158.3177-88.7-174.4165.4-179.4-4.2114
472N40.7Very low50.3Low161 Ų161144.9 Ų144.986%0.86175%0.749SS**  trans113.3131.2155.1-60.3-7.7000112.2
473G46.4Very low51.5Low73 Ų73146.7 Ų146.775%0.75375%0.747SS**  cis172.8144.7-0.200000110
474L51.3Low52.3Low184 Ų184140.5 Ų140.596%0.96373%0.729SS**  trans51.1111.3156.6-57.2175.2000120.5
475G54.4Low53Low82 Ų82140.3 Ų140.385%0.84571%0.709SS**  trans101.944.4140.300000117.8
476L52.3Low53.8Low146 Ų146135.9 Ų135.976%0.76470%0.698SS**  trans-128.4138.6170.5-143.175000109.3S478L476-S478 PolarHBondContact O-N 3.04Å
477I58.5Low54.6Low160 Ų160134.5 Ų134.582%0.82169%0.686SS**  trans-64.7115.6170.1-60.9169.7000106.3
478S58Low55.9Low22 Ų22125.9 Ų125.915%0.15465%0.649CS.*  trans-66.3149177.941.90000110.5L476L476-S478 PolarHBondContact O-N 3.04Å
479T65.6Low56.9Low66 Ų66120.6 Ų120.641%0.40564%0.635SS.*  trans-119.6165.3169.866.70000109Y481 D482 F504T479-Y481 PolarHBondContact O-N 3.01Å; T479-D482 WeakPolarHBondContact CB-OD2 3.47Å; T479-D482 PolarHBondContact N-OD2 2.85Å; T479-D482 WeakPolarHBondContact O-CB 2.89Å; T479-D482 PolarHBondContact O-N 3.33Å; T479-D482 PolarHBondContact OG1-OD2 2.63Å; T479-F504 WeakPolarHBondContact O-CE1 3.43Å
480I62.7Low57.9Low107 Ų107120.6 Ų120.655%0.54963%0.633SS.*THydrogen-bonded Turntrans-61.2-7.5-178.458.9171.3000113.8M502I480-M502 HydrophobicContact CB-CE 4.08Å; I480-M502 HydrophobicContact CG2-CE 3.32Å
481Y62.1Low59.3Low172 Ų172110.7 Ų110.768%0.67560%0.597SS**THydrogen-bonded Turntrans-104.3-4.5-180-55.2-71.4000113.1T479 F510T479-Y481 PolarHBondContact O-N 3.01Å; Y481-F510 HydrophobicContact CD1-CZ 4.36Å; Y481-F510 HydrophobicContact CE1-CE1 4.39Å; Y481-F510 AromaticContact CE1-CZ 3.95Å; Y481-F510 HydrophobicContact CE1-CZ 3.95Å
482D65.2Low60.4Low68 Ų68102 Ų10236%0.36457%0.573SS.*SBendtrans-88162.5-179.8-64.7-46.8000111.7T479 F504T479-D482 WeakPolarHBondContact CB-OD2 3.47Å; T479-D482 PolarHBondContact N-OD2 2.85Å; T479-D482 WeakPolarHBondContact O-CB 2.89Å; T479-D482 PolarHBondContact O-N 3.33Å; T479-D482 PolarHBondContact OG1-OD2 2.63Å; D482-F504 WeakPolarHBondContact O-CE1 3.5Å
483E67.7Low61.8Low152 Ų15295.8 Ų95.871%0.7154%0.54SS*.PPolyproline II helixtrans-71.6135.4173.6-68.8-176.1176.200109.8L485E483-L485 PolarHBondContact O-N 2.99Å
484P67.4Low62.7Low84 Ų8495.7 Ų95.755%0.54552%0.522SS..PPolyproline II helixtrans-60.3130.4-17422.2-32.5000111.4D488 F504P484-D488 HydrophobicContact CB-CB 4.27Å; P484-F504 HydrophobicContact CB-CD2 3.75Å; P484-F504 HydrophobicContact CB-CE2 3.82Å; P484-F504 HydrophobicContact CB-CG 4.31Å; P484-F504 HydrophobicContact CB-CZ 4.43Å
485L65.9Low63.4Low70 Ų7091.7 Ų91.737%0.36649%0.494SS..PPolyproline II helixtrans-75.9161.8175.1-68.8164.1000110E483 Q487 D488E483-L485 PolarHBondContact O-N 2.99Å; L485-Q487 PolarHBondContact O-N 3.28Å; L485-D488 WeakPolarHBondContact CB-OD2 3.35Å; L485-D488 PolarHBondContact N-OD2 2.98Å; L485-D488 PolarHBondContact O-N 3.39Å
486P63.7Low63.8Low101 Ų10192 Ų9266%0.65647%0.47SS*.THydrogen-bonded Turntrans-59.5-12.2173.6-23.233.8000114.7Q489P486-Q489 WeakPolarHBondContact O-CG 3.42Å; P486-Q489 PolarHBondContact O-NE2 2.72Å
487Q59.2Low64.4Low147 Ų14787.4 Ų87.469%0.68744%0.444SS*.THydrogen-bonded Turntrans-89.5-18175.1-68.7150.8-2100112.1L485 Q489L485-Q487 PolarHBondContact O-N 3.28Å; Q487-Q489 PolarHBondContact O-N 2.82Å
488D63.8Low64.6Low16 Ų1683 Ų839%0.08643%0.426CS..SBendtrans-92.634.4177.5-56.5-46.9000111.2P484 L485 M502 F504P484-D488 HydrophobicContact CB-CB 4.27Å; L485-D488 WeakPolarHBondContact CB-OD2 3.35Å; L485-D488 PolarHBondContact N-OD2 2.98Å; L485-D488 PolarHBondContact O-N 3.39Å; D488-M502 PolarHBondContact OD1-N 2.81Å; D488-F504 HydrophobicContact CB-CD2 4.05Å; D488-F504 HydrophobicContact CB-CE2 3.64Å
489Q64.6Low64.7Low130 Ų13086.9 Ų86.961%0.60745%0.451SS*.PPolyproline II helixtrans-63.1151.5178.2-77.2176.853.400110.7P486 Q487 E491 Q497P486-Q489 WeakPolarHBondContact O-CG 3.42Å; P486-Q489 PolarHBondContact O-NE2 2.72Å; Q487-Q489 PolarHBondContact O-N 2.82Å; Q489-E491 PolarHBondContact O-N 3.39Å; Q489-Q497 WeakPolarHBondContact O-CG 3.36Å; Q489-Q497 PolarHBondContact O-NE2 2.98Å
490T63.2Low64.5Low109 Ų10989.7 Ų89.767%0.66947%0.467SS*.PPolyproline II helixtrans-51.2133.917436.40000110.6
491E67.1Low64.6Low37 Ų3785.6 Ų85.617%0.17345%0.448CS..PPolyproline II helixtrans-52.3141.7176.5-65.1-178151.400110R388 Q489 R496 Q497 K503R388-E491 PolarHBondContact NH2-O 3.13Å; Q489-E491 PolarHBondContact O-N 3.39Å; E491-R496 WeakPolarHBondContact OE1-CG 3.33Å; E491-Q497 HydrophobicContact CG-CB 4.33Å; E491-Q497 HydrophobicContact CG-CG 3.89Å; E491-K503 WeakPolarHBondContact OE1-CE 3.48Å; E491-K503 IonicContact OE1-NZ 2.88Å; E491-K503 PolarHBondContact OE1-NZ 2.72Å; E491-K503 IonicContact OE2-NZ 2.72Å; E491-K503 PolarHBondContact OE2-NZ 2.88Å
492S67.9Low64.9Low54 Ų5479.5 Ų79.538%0.37843%0.427SS..PPolyproline II helixtrans-77166.5175.774.80000110.7R388 L494 R495R388-S492 PolarHBondContact NH1-O 3.29Å; S492-L494 VanDerWaalsContact C-N 3.31Å; S492-L494 PolarHBondContact O-N 2.87Å; S492-R495 PolarHBondContact N-O 3.43Å; S492-R495 WeakPolarHBondContact OG-CA 3.26Å; S492-R495 VanDerWaalsContact OG-CB 3.29Å; S492-R495 WeakPolarHBondContact OG-CB 2.99Å; S492-R495 PolarHBondContact OG-N 3.32Å; S492-R495 PolarHBondContact OG-O 3.34Å
493L70.1Confident64.9Low31 Ų3181.8 Ų81.816%0.16243%0.433CS..SBendtrans-57.9-44.2178.2-17197.9000112.6V381 L385V381-L493 HydrophobicContact CG1-CD2 3.82Å; L385-L493 VanDerWaalsContact CA-CD1 3.48Å; L385-L493 HydrophobicContact CB-CD1 3.64Å; L385-L493 HydrophobicContact CB-CD2 4.39Å; L385-L493 HydrophobicContact CD1-CD1 3.6Å; L385-L493 HydrophobicContact CG-CD1 4.21Å
494L66.3Low64.8Low72 Ų7276.8 Ų76.838%0.37741%0.409SS..SBendtrans-102.2-15.1-168.5-63.4176.5000113.3Y367 V381 S492Y367-L494 HydrophobicContact CD1-CB 4.05Å; Y367-L494 HydrophobicContact CD1-CD2 3.84Å; Y367-L494 HydrophobicContact CD1-CG 4.48Å; Y367-L494 HydrophobicContact CE1-CB 4.38Å; Y367-L494 HydrophobicContact CE1-CD2 3.85Å; V381-L494 HydrophobicContact CG1-CD2 3.85Å; V381-L494 HydrophobicContact CG2-CD2 4.36Å; S492-L494 VanDerWaalsContact C-N 3.31Å; S492-L494 PolarHBondContact O-N 2.87Å
495R65.3Low64.4Low100 Ų10082.2 Ų82.238%0.37742%0.419SS..  trans-136.2134.1-175.1-160177.3-175.3-176.7-0.4111.9D295 E301 S492D295-R495 IonicContact OD2-CZ 2.89Å; D295-R495 IonicContact OD2-NH1 2.99Å; D295-R495 PolarHBondContact OD2-NH1 2.96Å; E301-R495 IonicContact OE1-NH2 3.17Å; E301-R495 PolarHBondContact OE1-NH2 2.87Å; E301-R495 IonicContact OE2-CZ 3.54Å; E301-R495 VanDerWaalsContact OE2-CZ 3.3Å; E301-R495 IonicContact OE2-NE 3.92Å; E301-R495 PolarHBondContact OE2-NE 2.67Å; E301-R495 VanDerWaalsContact OE2-NE 3.15Å; E301-R495 IonicContact OE2-NH2 3.48Å; E301-R495 PolarHBondContact OE2-NH2 2.73Å; S492-R495 PolarHBondContact N-O 3.43Å; S492-R495 WeakPolarHBondContact OG-CA 3.26Å; S492-R495 VanDerWaalsContact OG-CB 3.29Å; S492-R495 WeakPolarHBondContact OG-CB 2.99Å; S492-R495 PolarHBondContact OG-N 3.32Å; S492-R495 PolarHBondContact OG-O 3.34Å
496R64Low63.8Low89 Ų8985 Ų8534%0.33644%0.439SS..PPolyproline II helixtrans-75.5151.1171.5-168.1-175.2167.8-174.6-2.8109.8E304 A305 E491E304-R496 PolarHBondContact O-NH1 2.96Å; A305-R496 HydrophobicContact CB-CB 3.97Å; E491-R496 WeakPolarHBondContact OE1-CG 3.33Å
497Q64.6Low63.3Low49 Ų4986.9 Ų86.923%0.22944%0.443CS..PPolyproline II helixtrans-74.5150.5171-67.7-74.7-9.600110.4Q489 E491 S501Q489-Q497 WeakPolarHBondContact O-CG 3.36Å; Q489-Q497 PolarHBondContact O-NE2 2.98Å; E491-Q497 HydrophobicContact CG-CB 4.33Å; E491-Q497 HydrophobicContact CG-CG 3.89Å; Q497-S501 WeakPolarHBondContact CB-OG 3.4Å
498P62.1Low62.7Low67 Ų6785.4 Ų85.444%0.43544%0.438SS..PPolyproline II helixtrans-58.8154.9179.225-34.5000111.3T500 S501P498-T500 PolarHBondContact O-N 3.19Å; P498-S501 WeakPolarHBondContact O-CB 3.34Å; P498-S501 PolarHBondContact O-N 3.05Å; P498-S501 PolarHBondContact O-OG 3.13Å
499P60.4Low61.8Low104 Ų10489.4 Ų89.468%0.67547%0.473SS*.THydrogen-bonded Turntrans-62.6-11.9-177.225.1-34.6000113.9S501P499-S501 VanDerWaalsContact C-N 3.3Å
500T61.4Low61Low124 Ų12490.5 Ų90.576%0.76148%0.476SS*.THydrogen-bonded Turntrans-78.1-11.4172.451.90000114P498P498-T500 PolarHBondContact O-N 3.19Å
501S65.3Low60.2Low21 Ų2192 Ų9215%0.14749%0.485CS..SBendtrans-90.4144.1176.971.40000111.7Q497 P498 P499Q497-S501 WeakPolarHBondContact CB-OG 3.4Å; P498-S501 WeakPolarHBondContact O-CB 3.34Å; P498-S501 PolarHBondContact O-N 3.05Å; P498-S501 PolarHBondContact O-OG 3.13Å; P499-S501 VanDerWaalsContact C-N 3.3Å
502M66.8Low59Low44 Ų44101.6 Ų101.622%0.21752%0.52CS..  trans-99.9128.2178.8-74.5-166.264.300112.6I480 D488 F504I480-M502 HydrophobicContact CB-CE 4.08Å; I480-M502 HydrophobicContact CG2-CE 3.32Å; D488-M502 PolarHBondContact OD1-N 2.81Å; M502-F504 HydrophobicContact CB-CD2 4.39Å; M502-F504 HydrophobicContact CB-CE2 3.77Å; M502-F504 HydrophobicContact CB-CZ 4.13Å; M502-F504 VanDerWaalsContact O-CD2 3.26Å; M502-F504 WeakPolarHBondContact O-CD2 3.05Å; M502-F504 PolarHBondContact O-N 2.79Å
503K66.2Low57.8Low116 Ų116102.1 Ų102.150%0.50453%0.534SS..  trans-80.7106.5172.2-54.5-165.5-161.1-159.10110.3E491E491-K503 WeakPolarHBondContact OE1-CE 3.48Å; E491-K503 IonicContact OE1-NZ 2.88Å; E491-K503 PolarHBondContact OE1-NZ 2.72Å; E491-K503 IonicContact OE2-NZ 2.72Å; E491-K503 PolarHBondContact OE2-NZ 2.88Å
504F64.9Low56.6Low48 Ų48105.7 Ų105.721%0.21156%0.561CS.*  trans-83.7126.6174.7-68.3-89.2000110.7T479 D482 P484 D488 M502 T506T479-F504 WeakPolarHBondContact O-CE1 3.43Å; D482-F504 WeakPolarHBondContact O-CE1 3.5Å; P484-F504 HydrophobicContact CB-CD2 3.75Å; P484-F504 HydrophobicContact CB-CE2 3.82Å; P484-F504 HydrophobicContact CB-CG 4.31Å; P484-F504 HydrophobicContact CB-CZ 4.43Å; D488-F504 HydrophobicContact CB-CD2 4.05Å; D488-F504 HydrophobicContact CB-CE2 3.64Å; M502-F504 HydrophobicContact CB-CD2 4.39Å; M502-F504 HydrophobicContact CB-CE2 3.77Å; M502-F504 HydrophobicContact CB-CZ 4.13Å; M502-F504 VanDerWaalsContact O-CD2 3.26Å; M502-F504 WeakPolarHBondContact O-CD2 3.05Å; M502-F504 PolarHBondContact O-N 2.79Å; F504-T506 PolarHBondContact O-N 2.88Å
505R58.8Low55.5Low198 Ų198107.9 Ų107.975%0.74758%0.583SS**  trans-79.3109.6169.9-66.9-173.5178.4-174.10.8107.9D507R505-D507 PolarHBondContact O-N 2.97Å; R505-D507 VanDerWaalsContact O-N 3.13Å
506T54.9Low54.6Low129 Ų129108.4 Ų108.479%0.79160%0.601SS**SBendtrans-66.7-16.9-167.9-34.80000113.8F504F504-T506 PolarHBondContact O-N 2.88Å
507D52.5Low53.8Low139 Ų139108.9 Ų108.974%0.74362%0.624SS**  trans-145.383.9178-75.7-54.7000112.7R505R505-D507 PolarHBondContact O-N 2.97Å; R505-D507 VanDerWaalsContact O-N 3.13Å
508M46.9Very low52.9Low117 Ų117111.7 Ų111.758%0.57665%0.648SS**  trans-94.8106.3153.3-89.4-163.5153.500109.2F510M508-F510 VanDerWaalsContact C-N 3.26Å; M508-F510 HydrophobicContact CB-CE2 4.21Å; M508-F510 WeakPolarHBondContact O-CD2 3.44Å; M508-F510 PolarHBondContact O-N 3.06Å
509A45Very low51.7Low99 Ų99116.4 Ų116.482%0.81867%0.67SS**  trans-66.189.1165.400000108.9V511A509-V511 PolarHBondContact O-N 3.36Å
510F48.1Very low50.8Low153 Ų153116.7 Ų116.767%0.67168%0.675SS**  trans-59.4111.3171.6-73.1-83.7000108.8Y481 M508 R512Y481-F510 HydrophobicContact CD1-CZ 4.36Å; Y481-F510 HydrophobicContact CE1-CE1 4.39Å; Y481-F510 AromaticContact CE1-CZ 3.95Å; Y481-F510 HydrophobicContact CE1-CZ 3.95Å; M508-F510 VanDerWaalsContact C-N 3.26Å; M508-F510 HydrophobicContact CB-CE2 4.21Å; M508-F510 WeakPolarHBondContact O-CD2 3.44Å; M508-F510 PolarHBondContact O-N 3.06Å; F510-R512 PolarHBondContact O-N 2.94Å
511V46.5Very low49.8Very low142 Ų142116.8 Ų116.886%0.86168%0.677SS**  trans-64.8110166.1179.40000106.2A509 G513A509-V511 PolarHBondContact O-N 3.36Å; V511-G513 PolarHBondContact O-N 2.87Å
512R41.3Very low48.6Very low237 Ų237121.1 Ų121.189%0.89471%0.708SS**PPolyproline II helixtrans-56.6117177.4-156.7-172.2-79.5-158.3-2.4107.5F510 S514F510-R512 PolarHBondContact O-N 2.94Å; R512-S514 PolarHBondContact O-N 2.73Å
513G42.3Very low47.2Very low66 Ų66127.2 Ų127.268%0.6874%0.74SS**PPolyproline II helixtrans-50.8125.5176.900000109.7V511 S515V511-G513 PolarHBondContact O-N 2.87Å; G513-S515 PolarHBondContact O-N 2.71Å; G513-S515 VanDerWaalsContact O-N 3.13Å
514S44.8Very low46.4Very low105 Ų105127.2 Ų127.273%0.73475%0.752SS**PPolyproline II helixtrans-55.4120.5176-167.50000108R512 C516R512-S514 PolarHBondContact O-N 2.73Å; S514-C516 PolarHBondContact O-N 3.2Å
515S44.3Very low45.3Very low118 Ų118136.5 Ų136.583%0.82580%0.804SS**  trans-69.679.8173.757.10000108.9G513G513-S515 PolarHBondContact O-N 2.71Å; G513-S515 VanDerWaalsContact O-N 3.13Å
516C44.5Very low44.6Very low112 Ų112133.4 Ų133.476%0.75781%0.807SS**  trans-111.570.816956.30000109.1S514S514-C516 PolarHBondContact O-N 3.2Å
517A47.3Very low44Very low99 Ų99133.6 Ų133.682%0.81881%0.807SS**  trans-156.966.1166.500000110.7
518S45.7Very low43.6Very low107 Ų107133.3 Ų133.375%0.74881%0.811SS**  trans-165.580.715653.50000108.9
519D37.1Very low43.4Very low166 Ų166134.3 Ų134.389%0.88883%0.825SS**  trans-153.398.9147.3-97.7-23.7000108.3
520S43Very low43.3Very low111 Ų111136.5 Ų136.578%0.77683%0.825SS**  trans-68.8128.7168.539.10000109.9S522S520-S522 PolarHBondContact O-N 3.31Å
521P40.1Very low43Very low126 Ų126135.4 Ų135.482%0.81884%0.835SS**  trans-78.6112.9174.229.3-30.1000110.3L523P521-L523 PolarHBondContact O-N 3.48Å
522S40.4Very low42.7Very low112 Ų112134.9 Ų134.978%0.78383%0.834SS**PPolyproline II helixtrans-69.4119.2160.751.80000109.5S520S520-S522 PolarHBondContact O-N 3.31Å
523L36.6Very low42.8Very low171 Ų171127.1 Ų127.190%0.89583%0.829SS**PPolyproline II helixtrans-60.5136.3165.8-83.1150.3000110.6P521P521-L523 PolarHBondContact O-N 3.48Å
524P49.3Very low42.9Very low116 Ų116132.2 Ų132.275%0.75384%0.841SS**PPolyproline II helixtrans-93.7126.7160.332.1-24.2000111.1
525D41.1Very low42.7Very low243 Ų243134.6 Ų134.6100%1.29985%0.851SS**  trans470162.7-61-16.9000121.8

Retrieved 525 of 525 residues in 129.8 ms (Link to these results)

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