A0A077ZBI3_TRITR Loading...

E3 ubiquitin-protein ligase UBR4-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZBI3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 317 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
1M30.1Very low43.4Very low244 Ų244110.3 Ų110.3100%1.20264%0.641SS**  095.30-86.3-175.5-96.400108.9
2I31.7Very low45.2Very low138 Ų138110.2 Ų110.271%0.70864%0.636SS**  trans-101.497.9165.6-61.4171.2000104.2F4I2-F4 PolarHBondContact O-N 3.11Å
3G34.1Very low46.5Very low64 Ų64102.6 Ų102.666%0.6660%0.595SS**  trans-64120.5175.200000108.8P5G3-P5 WeakPolarHBondContact O-CD 3.32Å
4F39.9Very low47.5Very low156 Ų15696.5 Ų96.568%0.68456%0.56SS**  trans-69.2113.5176.2-81-101.2000109.5I2 F6 Y280I2-F4 PolarHBondContact O-N 3.11Å; F4-F6 PolarHBondContact O-N 2.74Å; F4-Y280 HydrophobicContact CD1-CE2 4.02Å; F4-Y280 AromaticContact CE1-CE2 3.5Å; F4-Y280 HydrophobicContact CE1-CE2 3.5Å; F4-Y280 VanDerWaalsContact CE1-CE2 3.5Å; F4-Y280 HydrophobicContact CZ-CE2 4.04Å
5P44.2Very low48.5Very low99 Ų9996.4 Ų96.464%0.64356%0.557SS**  trans-84.16.6176.4-2.723.3000112.5G3 C7G3-P5 WeakPolarHBondContact O-CD 3.32Å; P5-C7 VanDerWaalsContact C-N 3.29Å; P5-C7 PolarHBondContact O-N 3.23Å
6F44.9Very low49.4Very low88 Ų8895.9 Ų95.939%0.38655%0.548SS..THydrogen-bonded Turntrans-83.46.1-165.3-81.8-79.2000115.6F4 Y280 R285F4-F6 PolarHBondContact O-N 2.74Å; F6-Y280 HydrophobicContact CE2-CE1 4.08Å; F6-R285 HydrophobicContact CE1-CG 4.16Å
7C42.3Very low50.2Low122 Ų12292.5 Ų92.582%0.82453%0.529SS*.THydrogen-bonded Turntrans-138.144.8-171.3-154.30000114P5P5-C7 VanDerWaalsContact C-N 3.29Å; P5-C7 PolarHBondContact O-N 3.23Å
8S46.3Very low51Low107 Ų10794.9 Ų94.975%0.74854%0.535SS*.SBendtrans-113.8-23.5171.158.50000114.3L10S8-L10 PolarHBondContact O-N 3.38Å
9S48.2Very low52.4Low86 Ų8692.6 Ų92.660%0.60153%0.526SS*.SBendtrans-94.680.4171.459.20000110.4C11 R292S9-C11 PolarHBondContact O-N 3.06Å; S9-R292 PolarHBondContact O-NH1 3.27Å
10L54.6Low54.2Low95 Ų9593.2 Ų93.250%0.49753%0.533SS..  trans-44.1134.7167.7-73.5156.3000109.4S8 N12S8-L10 PolarHBondContact O-N 3.38Å; L10-N12 PolarHBondContact O-N 2.94Å
11C61.3Low56.1Low14 Ų1490.6 Ų90.610%0.09552%0.517CS..  trans-40.8128.2171160.50000110.3S9 A13 C14 N15 R292 E296S9-C11 PolarHBondContact O-N 3.06Å; C11-A13 PolarHBondContact O-N 3.43Å; C11-A13 PolarHBondContact SG-N 2.77Å; C11-C14 HydrophobicContact CB-CB 3.95Å; C11-C14 WeakPolarHBondContact CB-SG 3.39Å; C11-C14 WeakPolarHBondContact O-CA 3.41Å; C11-C14 WeakPolarHBondContact O-CB 3.37Å; C11-C14 PolarHBondContact O-N 3.49Å; C11-C14 PolarHBondContact SG-N 3.45Å; C11-C14 VanDerWaalsContact SG-N 3.44Å; C11-N15 PolarHBondContact O-N 3.4Å; C11-R292 HydrophobicContact CB-CG 4.46Å; C11-E296 HydrophobicContact CB-CG 4.49Å; C11-E296 WeakPolarHBondContact SG-CG 3.39Å; C11-E296 PolarHBondContact SG-OE1 3.16Å
12N64.4Low59.2Low109 Ų10981.2 Ų81.258%0.58348%0.479SS*.Hα-helixtrans-59.1-37.2-175.4-72.2-9.8000111.1L10 N15 E16L10-N12 PolarHBondContact O-N 2.94Å; N12-N15 PolarHBondContact O-N 3.22Å; N12-E16 WeakPolarHBondContact O-CG 3.46Å; N12-E16 PolarHBondContact O-N 3.06Å
13A62.4Low62.3Low12 Ų1279.4 Ų79.410%0.09947%0.47CS..Hα-helixtrans-64.7-40.217500000112.1C11 V17 P197 E296 I299C11-A13 PolarHBondContact O-N 3.43Å; C11-A13 PolarHBondContact SG-N 2.77Å; A13-V17 VanDerWaalsContact O-CB 3.32Å; A13-V17 WeakPolarHBondContact O-CB 3.4Å; A13-V17 WeakPolarHBondContact O-CG2 3.43Å; A13-V17 PolarHBondContact O-N 3.11Å; A13-P197 HydrophobicContact CB-CG 4.09Å; A13-E296 HydrophobicContact CB-CG 4.25Å; A13-I299 HydrophobicContact CB-CD1 4.39Å
14C60.2Low65.4Low17 Ų1778 Ų7812%0.11545%0.447CS..Hα-helixtrans-62.9-48.1174-62.40000111.3C11 E16 V17 E18 H295 I299C11-C14 HydrophobicContact CB-CB 3.95Å; C11-C14 WeakPolarHBondContact CB-SG 3.39Å; C11-C14 WeakPolarHBondContact O-CA 3.41Å; C11-C14 WeakPolarHBondContact O-CB 3.37Å; C11-C14 PolarHBondContact O-N 3.49Å; C11-C14 PolarHBondContact SG-N 3.45Å; C11-C14 VanDerWaalsContact SG-N 3.44Å; C14-E16 VanDerWaalsContact C-N 3.3Å; C14-E16 PolarHBondContact O-N 3.5Å; C14-V17 PolarHBondContact O-N 3.27Å; C14-V17 VanDerWaalsContact O-N 3.16Å; C14-E18 WeakPolarHBondContact O-CB 3.49Å; C14-E18 WeakPolarHBondContact O-CG 3.46Å; C14-E18 PolarHBondContact O-N 2.89Å; C14-H295 PolarHBondContact SG-CD2 2.88Å; C14-H295 PolarHBondContact SG-NE2 3.38Å; C14-I299 WeakPolarHBondContact SG-CD1 3.38Å
15N62.6Low68.1Low95 Ų9577.4 Ų77.451%0.50844%0.444SS..Hα-helixtrans-62.2-38.7-177.5-163.28.6000111.7C11 N12 S19C11-N15 PolarHBondContact O-N 3.4Å; N12-N15 PolarHBondContact O-N 3.22Å; N15-S19 PolarHBondContact O-N 3.28Å
16E62.7Low70.7Confident88 Ų8873.3 Ų73.341%0.41142%0.416SS..Hα-helixtrans-68.6-43.4173.4-72.8-175.1172.900112.6N12 C14 S19 P197N12-E16 WeakPolarHBondContact O-CG 3.46Å; N12-E16 PolarHBondContact O-N 3.06Å; C14-E16 VanDerWaalsContact C-N 3.3Å; C14-E16 PolarHBondContact O-N 3.5Å; E16-S19 VanDerWaalsContact O-CB 3.3Å; E16-S19 WeakPolarHBondContact O-CB 3.42Å; E16-S19 PolarHBondContact O-N 3.19Å; E16-P197 HydrophobicContact CB-CG 4.46Å; E16-P197 WeakPolarHBondContact OE2-CD 3.47Å; E16-P197 WeakPolarHBondContact OE2-CG 3.44Å
17V64Low73.1Confident39 Ų3975.4 Ų75.424%0.23643%0.427CS..Hα-helixtrans-68.6-33.7-179.1170.90000112.3A13 C14 S19 R194 I299 L303A13-V17 VanDerWaalsContact O-CB 3.32Å; A13-V17 WeakPolarHBondContact O-CB 3.4Å; A13-V17 WeakPolarHBondContact O-CG2 3.43Å; A13-V17 PolarHBondContact O-N 3.11Å; C14-V17 PolarHBondContact O-N 3.27Å; C14-V17 VanDerWaalsContact O-N 3.16Å; V17-S19 VanDerWaalsContact C-N 3.31Å; V17-R194 VanDerWaalsContact O-CZ 3.3Å; V17-R194 PolarHBondContact O-NH1 3.48Å; V17-I299 HydrophobicContact CG2-CG2 3.94Å; V17-L303 HydrophobicContact CG2-CD1 4.43Å
18E64.7Low75.7Confident136 Ų13675.6 Ų75.664%0.63642%0.416SS*.Hα-helixtrans-80.3-11.2178-72.8-179.6176.500113.5C14C14-E18 WeakPolarHBondContact O-CB 3.49Å; C14-E18 WeakPolarHBondContact O-CG 3.46Å; C14-E18 PolarHBondContact O-N 2.89Å
19S76.4Confident78.1Confident50 Ų5070.5 Ų70.535%0.3538%0.381SS..SBendtrans-56.7130178.3-172.40000111N15 E16 V17 R194N15-S19 PolarHBondContact O-N 3.28Å; E16-S19 VanDerWaalsContact O-CB 3.3Å; E16-S19 WeakPolarHBondContact O-CB 3.42Å; E16-S19 PolarHBondContact O-N 3.19Å; V17-S19 VanDerWaalsContact C-N 3.31Å; S19-R194 WeakPolarHBondContact O-CD 3.27Å
20P88.6Confident80.4Confident105 Ų10569.7 Ų69.768%0.68237%0.366SS*.PPolyproline II helixtrans-65146.317727.2-33.9000110.4A22P20-A22 PolarHBondContact O-N 2.78Å
21M93.7Very high82.4Confident38 Ų3869.3 Ų69.319%0.18736%0.362CS..PPolyproline II helixtrans-65.2135.6172.5-68.3-173.2-174.400110.4E49 A51 P112 Y192 R194M21-E49 HydrophobicContact CE-CG 4.09Å; M21-A51 HydrophobicContact CE-CB 4.16Å; M21-A51 HydrophobicContact SD-CB 3.56Å; M21-A51 VanDerWaalsContact SD-CB 3.56Å; M21-P112 HydrophobicContact CE-CB 4.01Å; M21-P112 HydrophobicContact CE-CG 4.09Å; M21-Y192 HydrophobicContact CB-CD1 4.07Å; M21-Y192 HydrophobicContact CB-CD2 4.44Å; M21-Y192 HydrophobicContact CB-CE1 3.55Å; M21-Y192 HydrophobicContact CB-CE2 3.96Å; M21-Y192 HydrophobicContact CB-CG 4.48Å; M21-Y192 VanDerWaalsContact CB-CZ 3.48Å; M21-Y192 HydrophobicContact CG-CE1 4.36Å; M21-Y192 VanDerWaalsContact O-CE2 3.28Å; M21-Y192 WeakPolarHBondContact O-CE2 3.46Å; M21-Y192 PolarHBondContact O-OH 2.88Å; M21-Y192 HydrophobicContact SD-CD1 4.09Å; M21-Y192 HydrophobicContact SD-CE1 3.94Å; M21-R194 HydrophobicContact CG-CB 4.26Å; M21-R194 HydrophobicContact CG-CG 4.21Å
22A96.3Very high84Confident48 Ų4872 Ų7240%0.39737%0.373SS..EExtended strand (participates in β ladder)trans-124.7156.8178.100000110.5P20 I24 Y192 C193P20-A22 PolarHBondContact O-N 2.78Å; A22-I24 HydrophobicContact CB-CG1 4.28Å; A22-Y192 WeakPolarHBondContact O-CA 3.09Å; A22-C193 PolarHBondContact N-O 3.34Å; A22-C193 PolarHBondContact O-N 3.28Å; A22-C193 VanDerWaalsContact O-O 3.11Å
23L97.5Very high85.5Confident99 Ų9968 Ų6852%0.51836%0.355SS..EExtended strand (participates in β ladder)trans-85.6111.8172.3-173.568.8000109.7L54 A190 L191 Y192L23-L54 HydrophobicContact CD1-CD1 3.56Å; L23-L54 HydrophobicContact CD1-CG 4.05Å; L23-L54 HydrophobicContact CD2-CD1 3.8Å; L23-L54 HydrophobicContact CG-CD1 4.36Å; L23-A190 HydrophobicContact CD1-CB 3.72Å; L23-A190 HydrophobicContact CG-CB 4.05Å; L23-L191 WeakPolarHBondContact CA-O 3Å; L23-Y192 HydrophobicContact CB-CD2 4.42Å
24I97.7Very high87.1Confident36 Ų3669.8 Ų69.819%0.18536%0.362CS..EExtended strand (participates in β ladder)trans-120.6133.8-175.2-50.6175.7000109.2A22 L26 Q28 L29 A190 L191A22-I24 HydrophobicContact CB-CG1 4.28Å; I24-L26 PolarHBondContact O-N 3.34Å; I24-Q28 HydrophobicContact CG2-CB 3.99Å; I24-L29 HydrophobicContact CB-CD1 4Å; I24-L29 HydrophobicContact CB-CG 4.24Å; I24-L29 HydrophobicContact CD1-CD2 4.24Å; I24-L29 HydrophobicContact CG2-CD1 4Å; I24-L29 HydrophobicContact CG2-CD2 3.9Å; I24-L29 HydrophobicContact CG2-CG 3.67Å; I24-A190 CarbonylContact O-C 3.53Å; I24-A190 VanDerWaalsContact O-CA 3.3Å; I24-A190 WeakPolarHBondContact O-CA 3.28Å; I24-L191 PolarHBondContact N-O 2.87Å; I24-L191 PolarHBondContact O-N 3.38Å
25K97.9Very high88.8Confident143 Ų14371.1 Ų71.162%0.62237%0.366SS*.EExtended strand (participates in β ladder)trans-64.8136.3177-66.7-178.5179177.20109.4Q27 Q28 L29K25-Q27 PolarHBondContact O-N 2.93Å; K25-Q27 VanDerWaalsContact O-N 3.09Å; K25-Q28 HydrophobicContact CB-CG 4.21Å; K25-Q28 VanDerWaalsContact N-OE1 3.12Å; K25-Q28 WeakPolarHBondContact O-CB 3.49Å; K25-Q28 PolarHBondContact O-N 3.46Å; K25-L29 PolarHBondContact O-N 3.44Å
26L97.7Very high90.4Very high12 Ų1268.3 Ų68.36%0.06335%0.352CS..Hα-helixtrans-56-34.4179.7-179.261.2000111.5I24 Q28 L29 K30 V42 L44 L118 I120 F189 L191I24-L26 PolarHBondContact O-N 3.34Å; L26-Q28 PolarHBondContact O-N 3.06Å; L26-L29 CarbonylContact O-C 3.57Å; L26-L29 PolarHBondContact O-N 3.36Å; L26-K30 WeakPolarHBondContact O-CB 3.27Å; L26-K30 PolarHBondContact O-N 3.02Å; L26-V42 HydrophobicContact CD1-CG1 4.2Å; L26-V42 HydrophobicContact CD2-CG2 4.29Å; L26-L44 HydrophobicContact CD1-CD2 3.99Å; L26-L118 HydrophobicContact CD1-CD1 4.35Å; L26-I120 HydrophobicContact CD2-CD1 4.15Å; L26-F189 HydrophobicContact CB-CB 3.79Å; L26-F189 WeakPolarHBondContact CB-O 3.39Å; L26-F189 HydrophobicContact CD2-CB 3.74Å; L26-F189 HydrophobicContact CD2-CD2 4.19Å; L26-F189 HydrophobicContact CD2-CG 4.18Å; L26-F189 HydrophobicContact CG-CB 4.43Å; L26-F189 PolarHBondContact N-O 3.22Å; L26-L191 HydrophobicContact CD1-CD1 4.05Å; L26-L191 HydrophobicContact CD1-CG 4.4Å
27Q96.1Very high92Very high132 Ų13265.4 Ų65.462%0.61734%0.34SS*.Hα-helixtrans-60.6-28.5176.1-175.462.215.600113.8K25K25-Q27 PolarHBondContact O-N 2.93Å; K25-Q27 VanDerWaalsContact O-N 3.09Å
28Q97.1Very high93.5Very high126 Ų12665.2 Ų65.259%0.58934%0.339SS*.Hα-helixtrans-81.2-22.9176.1-63.4171-55.300112.4I24 K25 L26I24-Q28 HydrophobicContact CG2-CB 3.99Å; K25-Q28 HydrophobicContact CB-CG 4.21Å; K25-Q28 VanDerWaalsContact N-OE1 3.12Å; K25-Q28 WeakPolarHBondContact O-CB 3.49Å; K25-Q28 PolarHBondContact O-N 3.46Å; L26-Q28 PolarHBondContact O-N 3.06Å
29L96.4Very high95.1Very high1 Ų158.8 Ų58.81%0.00531%0.309CS..Hα-helixtrans-95.9-9.9177.4-62.6175000112.4I24 K25 L26 L44 T45 L191I24-L29 HydrophobicContact CB-CD1 4Å; I24-L29 HydrophobicContact CB-CG 4.24Å; I24-L29 HydrophobicContact CD1-CD2 4.24Å; I24-L29 HydrophobicContact CG2-CD1 4Å; I24-L29 HydrophobicContact CG2-CD2 3.9Å; I24-L29 HydrophobicContact CG2-CG 3.67Å; K25-L29 PolarHBondContact O-N 3.44Å; L26-L29 CarbonylContact O-C 3.57Å; L26-L29 PolarHBondContact O-N 3.36Å; L29-L44 HydrophobicContact CB-CD2 4.03Å; L29-L44 CarbonylContact O-C 3.55Å; L29-L44 WeakPolarHBondContact O-CA 3.35Å; L29-T45 PolarHBondContact O-N 3.07Å; L29-L191 HydrophobicContact CD1-CB 4.25Å; L29-L191 HydrophobicContact CD1-CD1 3.78Å; L29-L191 HydrophobicContact CD1-CG 4.32Å
30K96Very high96.1Very high69 Ų6957.3 Ų57.330%0.330%0.297SS..EExtended strand (participates in β ladder)trans-80.5121.7-176.3-179.3-172.982.9178.90110.7L26 A33 V42L26-K30 WeakPolarHBondContact O-CB 3.27Å; L26-K30 PolarHBondContact O-N 3.02Å; K30-A33 HydrophobicContact CD-CB 3.99Å; K30-A33 HydrophobicContact CG-CB 4.49Å; K30-V42 HydrophobicContact CB-CG1 4Å; K30-V42 HydrophobicContact CG-CG1 3.79Å
31E95.5Very high96.5Very high86 Ų8653.2 Ų53.240%0.40227%0.268SS..EExtended strand (participates in β ladder)trans-88.7-56.1167.5-169.8-172.3151.900109.7K43 L44 T45 R116E31-K43 HydrophobicContact CB-CG 4.41Å; E31-K43 PolarHBondContact N-O 3.23Å; E31-K43 WeakPolarHBondContact OE1-CE 3.4Å; E31-K43 IonicContact OE1-NZ 2.75Å; E31-K43 PolarHBondContact OE1-NZ 2.96Å; E31-K43 WeakPolarHBondContact OE2-CE 3.32Å; E31-K43 IonicContact OE2-NZ 2.67Å; E31-L44 WeakPolarHBondContact CB-O 3.5Å; E31-T45 HydrophobicContact CB-CG2 4.1Å; E31-R116 IonicContact OE2-CZ 3.58Å; E31-R116 IonicContact OE2-NH1 3.1Å; E31-R116 IonicContact OE2-NH2 3.25Å; E31-R116 PolarHBondContact OE2-NH2 3.46Å
32E95.6Very high96.6Very high71 Ų7151.5 Ų51.533%0.33226%0.26SS..EExtended strand (participates in β ladder)trans-137.6159.2178.8-60.9-177.7126.700110.9V42 K43 A81E32-V42 WeakPolarHBondContact O-CA 3.4Å; E32-K43 HydrophobicContact CB-CB 4.24Å; E32-K43 PolarHBondContact N-O 3.42Å; E32-K43 PolarHBondContact O-N 3.15Å; E32-A81 HydrophobicContact CB-CB 3.96Å; E32-A81 PolarHBondContact OE2-N 2.83Å
33A95.9Very high96.6Very high25 Ų2549.8 Ų49.821%0.20724%0.243CC..EExtended strand (participates in β ladder)trans-141.9151174.500000113.3K30 F35 R41 V42K30-A33 HydrophobicContact CD-CB 3.99Å; K30-A33 HydrophobicContact CG-CB 4.49Å; A33-F35 HydrophobicContact CB-CE1 4.49Å; A33-F35 HydrophobicContact CB-CE2 4.24Å; A33-F35 HydrophobicContact CB-CZ 3.92Å; A33-R41 CarbonylContact C-O 3.53Å; A33-R41 WeakPolarHBondContact CA-O 3.27Å; A33-V42 HydrophobicContact CB-CG2 4.18Å
34Q96.2Very high96.5Very high50 Ų5045.1 Ų45.123%0.23422%0.219CC..EExtended strand (participates in β ladder)trans-126.5150.5169-72.9-72.1-48.900109R41 A81 L84Q34-R41 HydrophobicContact CB-CB 4.33Å; Q34-R41 PolarHBondContact N-O 3.45Å; Q34-R41 PolarHBondContact O-N 3.15Å; Q34-A81 HydrophobicContact CG-CB 4.08Å; Q34-A81 VanDerWaalsContact CG-O 3.23Å; Q34-A81 WeakPolarHBondContact CG-O 3.37Å; Q34-L84 HydrophobicContact CB-CB 4.47Å; Q34-L84 HydrophobicContact CG-CB 4.32Å; Q34-L84 HydrophobicContact CG-CD1 4.32Å
35F96.5Very high96.3Very high45 Ų4546.2 Ų46.220%0.19723%0.227CC..EExtended strand (participates in β ladder)trans-126.1140.8-178.7-53.5-78.8000110A33 S39 I40 C176 N177 G180A33-F35 HydrophobicContact CB-CE1 4.49Å; A33-F35 HydrophobicContact CB-CE2 4.24Å; A33-F35 HydrophobicContact CB-CZ 3.92Å; F35-S39 WeakPolarHBondContact CA-O 3.4Å; F35-I40 HydrophobicContact CD1-CB 4.32Å; F35-I40 HydrophobicContact CD1-CG1 3.96Å; F35-I40 HydrophobicContact CD1-CG2 4.17Å; F35-I40 HydrophobicContact CE1-CB 4.4Å; F35-I40 HydrophobicContact CE1-CG1 4.12Å; F35-I40 HydrophobicContact CE1-CG2 3.81Å; F35-C176 WeakPolarHBondContact CB-O 3.45Å; F35-N177 VanDerWaalsContact O-O 3.1Å; F35-G180 VanDerWaalsContact CG-CA 3.41Å
36T95.7Very high96Very high36 Ų3640.8 Ų40.822%0.22121%0.207CC..  trans-110.2-177.5160.171.20000108.5T38 S39 L175T36-T38 PolarHBondContact O-N 3.22Å; T36-T38 PolarHBondContact OG1-N 3.39Å; T36-S39 WeakPolarHBondContact CG2-OG 3.46Å; T36-S39 PolarHBondContact N-O 3.2Å; T36-S39 WeakPolarHBondContact OG1-CB 3.41Å; T36-S39 PolarHBondContact OG1-N 3.02Å; T36-S39 PolarHBondContact OG1-OG 3.4Å; T36-L175 VanDerWaalsContact O-CB 3.32Å; T36-L175 WeakPolarHBondContact O-CB 3.3Å
37T96.1Very high95.7Very high27 Ų2741.3 Ų41.317%0.16621%0.208CC..SBendtrans-66.7-14.6176.857.90000113.5N167 E170 P173 F174 L175T37-N167 WeakPolarHBondContact CG2-ND2 3.42Å; T37-E170 WeakPolarHBondContact CB-OE2 3.19Å; T37-E170 HydrophobicContact CG2-CB 4.33Å; T37-E170 WeakPolarHBondContact CG2-OE2 3.22Å; T37-E170 PolarHBondContact OG1-OE2 3.28Å; T37-P173 HydrophobicContact CG2-CB 3.56Å; T37-F174 WeakPolarHBondContact O-CB 3.45Å; T37-F174 PolarHBondContact O-N 2.94Å; T37-L175 WeakPolarHBondContact CA-O 3.28Å; T37-L175 PolarHBondContact O-N 3.33Å
38T96.4Very high95.6Very high35 Ų3535 Ų3522%0.21518%0.179CC..SBendtrans-134.9-1.1-177.257.60000114.2T36 E121 F122 F125T36-T38 PolarHBondContact O-N 3.22Å; T36-T38 PolarHBondContact OG1-N 3.39Å; T38-E121 CarbonylContact O-C 3.17Å; T38-E121 WeakPolarHBondContact O-CA 3.32Å; T38-F122 VanDerWaalsContact O-CD2 3.3Å; T38-F122 WeakPolarHBondContact O-CD2 3.37Å; T38-F122 PolarHBondContact O-N 2.9Å; T38-F125 HydrophobicContact CG2-CE2 4.3Å; T38-F125 HydrophobicContact CG2-CZ 4.23Å
39S97.3Very high95.3Very high0 Ų029.8 Ų29.80%016%0.155CC..EExtended strand (participates in β ladder)trans-138.1147-176.874.70000114F35 T36 R41 I120F35-S39 WeakPolarHBondContact CA-O 3.4Å; T36-S39 WeakPolarHBondContact CG2-OG 3.46Å; T36-S39 PolarHBondContact N-O 3.2Å; T36-S39 WeakPolarHBondContact OG1-CB 3.41Å; T36-S39 PolarHBondContact OG1-N 3.02Å; T36-S39 PolarHBondContact OG1-OG 3.4Å; S39-R41 PolarHBondContact OG-NE 3.11Å; S39-I120 CarbonylContact C-O 3.53Å; S39-I120 VanDerWaalsContact CA-O 3.24Å; S39-I120 WeakPolarHBondContact CA-O 3.14Å
40I97.5Very high95.2Very high19 Ų1929.8 Ų29.810%0.09716%0.155CC..EExtended strand (participates in β ladder)trans-109.8119.3169.7-60.3167.2000106.8F35 V42 R119 I120 F122 L175 F189F35-I40 HydrophobicContact CD1-CB 4.32Å; F35-I40 HydrophobicContact CD1-CG1 3.96Å; F35-I40 HydrophobicContact CD1-CG2 4.17Å; F35-I40 HydrophobicContact CE1-CB 4.4Å; F35-I40 HydrophobicContact CE1-CG1 4.12Å; F35-I40 HydrophobicContact CE1-CG2 3.81Å; I40-V42 HydrophobicContact CG2-CG2 3.89Å; I40-R119 CarbonylContact O-C 3.52Å; I40-R119 WeakPolarHBondContact O-CA 3.18Å; I40-I120 PolarHBondContact N-O 2.99Å; I40-I120 PolarHBondContact O-N 3.36Å; I40-F122 HydrophobicContact CD1-CE2 3.99Å; I40-F122 HydrophobicContact CD1-CZ 4.32Å; I40-F122 HydrophobicContact CG1-CE2 4.31Å; I40-L175 HydrophobicContact CG1-CD1 3.92Å; I40-F189 HydrophobicContact CD1-CE2 3.72Å; I40-F189 HydrophobicContact CD1-CZ 4.38Å
41R97.4Very high95.2Very high19 Ų1927.1 Ų27.17%0.07215%0.145CC..EExtended strand (participates in β ladder)trans-114.6123.9-179.7-49.7-176.2-172.6-173.5-1.2108.5A33 Q34 S39 L84 K85 W90 L118 R119A33-R41 CarbonylContact C-O 3.53Å; A33-R41 WeakPolarHBondContact CA-O 3.27Å; Q34-R41 HydrophobicContact CB-CB 4.33Å; Q34-R41 PolarHBondContact N-O 3.45Å; Q34-R41 PolarHBondContact O-N 3.15Å; S39-R41 PolarHBondContact OG-NE 3.11Å; R41-L84 HydrophobicContact CB-CB 4.18Å; R41-L84 HydrophobicContact CB-CD1 4.44Å; R41-L84 WeakPolarHBondContact CD-O 3.43Å; R41-L84 PolarHBondContact NH1-O 3.43Å; R41-K85 VanDerWaalsContact NH1-CA 3.33Å; R41-K85 PolarHBondContact NH1-O 2.76Å; R41-W90 HydrophobicContact CB-CH2 4.41Å; R41-W90 HydrophobicContact CB-CZ2 4.26Å; R41-W90 HydrophobicContact CG-CZ2 4.42Å; R41-L118 CarbonylContact C-O 3.53Å; R41-L118 WeakPolarHBondContact CA-O 3.13Å; R41-R119 HydrophobicContact CG-CB 4.15Å; R41-R119 HydrophobicContact CG-CG 4.13Å
42V96.6Very high95.3Very high3 Ų327 Ų272%0.01814%0.143CC..EExtended strand (participates in β ladder)trans-127.1129.5-171.1172.30000110.1L26 K30 E32 A33 I40 L44 S117 L118L26-V42 HydrophobicContact CD1-CG1 4.2Å; L26-V42 HydrophobicContact CD2-CG2 4.29Å; K30-V42 HydrophobicContact CB-CG1 4Å; K30-V42 HydrophobicContact CG-CG1 3.79Å; E32-V42 WeakPolarHBondContact O-CA 3.4Å; A33-V42 HydrophobicContact CB-CG2 4.18Å; I40-V42 HydrophobicContact CG2-CG2 3.89Å; V42-L44 HydrophobicContact CG1-CD2 4.06Å; V42-S117 CarbonylContact O-C 3.59Å; V42-S117 WeakPolarHBondContact O-CA 3.31Å; V42-S117 WeakPolarHBondContact O-CB 3.49Å; V42-L118 PolarHBondContact N-O 3.46Å; V42-L118 PolarHBondContact O-N 2.81Å
43K95.8Very high95.4Very high12 Ų1223.6 Ų23.65%0.05213%0.128CC..EExtended strand (participates in β ladder)trans-85.5124.2161.9-177.7-174.6-177.8-164.50107.6E31 E32 I78 S79 L84E31-K43 HydrophobicContact CB-CG 4.41Å; E31-K43 PolarHBondContact N-O 3.23Å; E31-K43 WeakPolarHBondContact OE1-CE 3.4Å; E31-K43 IonicContact OE1-NZ 2.75Å; E31-K43 PolarHBondContact OE1-NZ 2.96Å; E31-K43 WeakPolarHBondContact OE2-CE 3.32Å; E31-K43 IonicContact OE2-NZ 2.67Å; E32-K43 HydrophobicContact CB-CB 4.24Å; E32-K43 PolarHBondContact N-O 3.42Å; E32-K43 PolarHBondContact O-N 3.15Å; K43-I78 WeakPolarHBondContact CE-O 3.13Å; K43-I78 PolarHBondContact NZ-O 3.44Å; K43-S79 PolarHBondContact NZ-O 3.17Å; K43-L84 HydrophobicContact CB-CD1 4.23Å
44L95.4Very high95.5Very high0 Ų025 Ų250%013%0.132CC..EExtended strand (participates in β ladder)trans-76.6171.6179.3-60175000111.1L26 L29 E31 V42 S46 C48 I50 A115 R116 L118 L191L26-L44 HydrophobicContact CD1-CD2 3.99Å; L29-L44 HydrophobicContact CB-CD2 4.03Å; L29-L44 CarbonylContact O-C 3.55Å; L29-L44 WeakPolarHBondContact O-CA 3.35Å; E31-L44 WeakPolarHBondContact CB-O 3.5Å; V42-L44 HydrophobicContact CG1-CD2 4.06Å; L44-S46 VanDerWaalsContact CB-O 3.31Å; L44-S46 WeakPolarHBondContact CB-O 3.35Å; L44-C48 HydrophobicContact CD1-CB 4.14Å; L44-I50 HydrophobicContact CD1-CD1 4.46Å; L44-A115 HydrophobicContact CD1-CB 4.38Å; L44-R116 WeakPolarHBondContact CB-O 3.48Å; L44-R116 PolarHBondContact N-O 3.07Å; L44-R116 PolarHBondContact O-NH1 3.28Å; L44-R116 PolarHBondContact O-NH2 2.88Å; L44-R116 VanDerWaalsContact O-NH2 3.17Å; L44-L118 HydrophobicContact CD1-CG 4.47Å; L44-L118 HydrophobicContact CD2-CD1 4.36Å; L44-L191 HydrophobicContact CD2-CD1 4.45Å
45T94.1Very high95.5Very high60 Ų6022.9 Ų22.937%0.36812%0.121SC..EExtended strand (participates in β ladder)trans-82.8-22174.548.70000112.1L29 E31L29-T45 PolarHBondContact O-N 3.07Å; E31-T45 HydrophobicContact CB-CG2 4.1Å
46S91.6Very high95.5Very high28 Ų2828 Ų2820%0.19614%0.14CC..EExtended strand (participates in β ladder)trans-152.6170.6-179.849.40000109.1L44 R195L44-S46 VanDerWaalsContact CB-O 3.31Å; L44-S46 WeakPolarHBondContact CB-O 3.35Å; S46-R195 WeakPolarHBondContact OG-CD 3.48Å
47Y91.6Very high95.5Very high23 Ų2326.9 Ų26.99%0.0913%0.132CC..EExtended strand (participates in β ladder)trans-68.3133.1169.1-70.3-101000109N75 T77 I114 A115 R116 R195 V196 G198Y47-N75 HydrophobicContact CE1-CB 4.21Å; Y47-T77 PolarHBondContact OH-OG1 3.47Å; Y47-I114 HydrophobicContact CD1-CG2 3.94Å; Y47-A115 WeakPolarHBondContact CA-O 3.37Å; Y47-R116 HydrophobicContact CD1-CB 3.88Å; Y47-R116 HydrophobicContact CE1-CB 3.62Å; Y47-R116 HydrophobicContact CE1-CG 4.15Å; Y47-R116 HydrophobicContact CE2-CG 4.26Å; Y47-R116 HydrophobicContact CG-CB 4.46Å; Y47-R195 WeakPolarHBondContact O-CA 3.49Å; Y47-V196 WeakPolarHBondContact CB-O 3.4Å; Y47-V196 PolarHBondContact O-N 3.49Å; Y47-G198 VanDerWaalsContact CG-CA 3.45Å
48C92.3Very high95.3Very high0 Ų027.1 Ų27.10%014%0.135CC..EExtended strand (participates in β ladder)trans-125.2132.9179.2-64.90000109.6L44 I50 I114 A115 C193 R194L44-C48 HydrophobicContact CD1-CB 4.14Å; C48-I50 HydrophobicContact CB-CD1 4.45Å; C48-I50 HydrophobicContact CB-CG1 4.06Å; C48-I114 CarbonylContact O-C 3.6Å; C48-I114 VanDerWaalsContact O-CA 3.28Å; C48-I114 WeakPolarHBondContact O-CA 3.12Å; C48-A115 PolarHBondContact N-O 3.01Å; C48-A115 PolarHBondContact O-N 3.48Å; C48-C193 HydrophobicContact CB-CB 4.3Å; C48-R194 CarbonylContact C-O 3.55Å; C48-R194 VanDerWaalsContact CA-O 3.27Å; C48-R194 WeakPolarHBondContact CA-O 3.15Å
49E91.6Very high95Very high17 Ų1732.1 Ų32.18%0.07916%0.156CC..EExtended strand (participates in β ladder)trans-85.8113.7165.2-172.9177-151.100109.3M21 P112 F113 I114 C193 R194 V196M21-E49 HydrophobicContact CE-CG 4.09Å; E49-P112 HydrophobicContact CG-CB 3.73Å; E49-F113 CarbonylContact C-O 3.5Å; E49-F113 WeakPolarHBondContact CA-O 3.42Å; E49-I114 HydrophobicContact CB-CD1 4.33Å; E49-I114 HydrophobicContact CB-CG1 3.72Å; E49-I114 HydrophobicContact CG-CG1 4Å; E49-C193 WeakPolarHBondContact O-CA 3.48Å; E49-C193 WeakPolarHBondContact O-CB 3.3Å; E49-R194 HydrophobicContact CB-CG 4.13Å; E49-R194 PolarHBondContact N-O 3.12Å; E49-R194 PolarHBondContact O-N 3.25Å; E49-R194 VanDerWaalsContact O-N 3.13Å; E49-R194 IonicContact OE2-CZ 2.64Å; E49-R194 IonicContact OE2-NE 3.54Å; E49-R194 PolarHBondContact OE2-NE 3.1Å; E49-R194 IonicContact OE2-NH2 3.43Å; E49-R194 PolarHBondContact OE2-NH2 2.92Å; E49-V196 HydrophobicContact CB-CG1 3.85Å
50I94.8Very high94.2Very high1 Ų136.7 Ų36.71%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-109.8122.6-169.7-58.8161.9000109.2L44 C48 F109 P112 F113 A115 L118 L191 C193L44-I50 HydrophobicContact CD1-CD1 4.46Å; C48-I50 HydrophobicContact CB-CD1 4.45Å; C48-I50 HydrophobicContact CB-CG1 4.06Å; I50-F109 HydrophobicContact CG2-CE2 4.23Å; I50-P112 CarbonylContact O-C 3.52Å; I50-P112 WeakPolarHBondContact O-CA 3.48Å; I50-F113 HydrophobicContact CB-CE2 4.22Å; I50-F113 HydrophobicContact CB-CZ 4.23Å; I50-F113 HydrophobicContact CD1-CE2 3.97Å; I50-F113 HydrophobicContact CD1-CZ 4.48Å; I50-F113 HydrophobicContact CG2-CZ 4.26Å; I50-F113 PolarHBondContact N-O 2.92Å; I50-F113 PolarHBondContact O-N 3.47Å; I50-A115 HydrophobicContact CD1-CB 3.91Å; I50-L118 HydrophobicContact CD1-CD1 3.85Å; I50-L118 HydrophobicContact CD1-CD2 3.83Å; I50-L118 HydrophobicContact CD1-CG 4.16Å; I50-L191 HydrophobicContact CD1-CD1 3.92Å; I50-L191 HydrophobicContact CG1-CD1 4.22Å; I50-L191 HydrophobicContact CG2-CD2 4.4Å; I50-C193 HydrophobicContact CB-CB 4.4Å; I50-C193 HydrophobicContact CG1-CB 3.9Å
51A95Very high93.4Very high12 Ų1242.9 Ų42.910%0.09921%0.206CC..EExtended strand (participates in β ladder)trans-104.7-28.417700000113M21 F109 P112 Y192M21-A51 HydrophobicContact CE-CB 4.16Å; M21-A51 HydrophobicContact SD-CB 3.56Å; M21-A51 VanDerWaalsContact SD-CB 3.56Å; A51-F109 WeakPolarHBondContact O-CD2 3.44Å; A51-F109 PolarHBondContact O-N 2.95Å; A51-F109 VanDerWaalsContact O-N 3.09Å; A51-P112 HydrophobicContact CB-CB 3.99Å; A51-P112 HydrophobicContact CB-CG 3.82Å; A51-Y192 HydrophobicContact CB-CD1 4.13Å; A51-Y192 PolarHBondContact N-O 3.39Å
52K97.2Very high92.3Very high83 Ų8352 Ų5236%0.36124%0.24SC..EExtended strand (participates in β ladder)trans-145.4150.1179.5-44.1178.3175.8-137.70111.4M107 D108 Y192K52-M107 WeakPolarHBondContact CA-O 3.4Å; K52-D108 WeakPolarHBondContact CD-OD1 3.13Å; K52-D108 WeakPolarHBondContact CE-OD1 3.3Å; K52-D108 WeakPolarHBondContact CG-OD1 3.44Å; K52-D108 IonicContact NZ-OD1 3.33Å; K52-D108 PolarHBondContact NZ-OD1 3.41Å; K52-Y192 HydrophobicContact CD-CD1 4.1Å; K52-Y192 HydrophobicContact CD-CG 4.39Å; K52-Y192 HydrophobicContact CG-CD1 4.13Å; K52-Y192 HydrophobicContact CG-CG 4.49Å; K52-Y192 PolarHBondContact N-O 2.86Å; K52-Y192 PolarHBondContact O-N 3.1Å
53L98.1Very high91.7Very high1 Ų153.2 Ų53.21%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-122125.9168.6-174.4155.2000108.4V71 M107 F109 I120 F189 L191L53-V71 HydrophobicContact CD1-CG1 4.37Å; L53-V71 HydrophobicContact CD1-CG2 4.42Å; L53-M107 HydrophobicContact CB-CB 4.18Å; L53-M107 HydrophobicContact CD2-CE 3.16Å; L53-M107 HydrophobicContact CD2-SD 3.73Å; L53-M107 PolarHBondContact N-O 3.41Å; L53-M107 WeakPolarHBondContact O-CA 3.45Å; L53-M107 VanDerWaalsContact O-CB 3.25Å; L53-M107 WeakPolarHBondContact O-CB 3.46Å; L53-M107 PolarHBondContact O-N 3.11Å; L53-F109 HydrophobicContact CB-CE2 4.12Å; L53-F109 HydrophobicContact CB-CZ 4.46Å; L53-I120 HydrophobicContact CD1-CD1 3.94Å; L53-I120 HydrophobicContact CD1-CG1 4.27Å; L53-F189 HydrophobicContact CD2-CD1 3.71Å; L53-F189 HydrophobicContact CD2-CE1 4.16Å; L53-F189 HydrophobicContact CG-CD1 4.5Å; L53-L191 HydrophobicContact CB-CD2 4.13Å; L53-L191 HydrophobicContact CD1-CD2 3.73Å; L53-L191 HydrophobicContact CG-CD2 3.79Å
54L97.8Very high91.3Very high55 Ų5554 Ų5429%0.28825%0.249SC..EExtended strand (participates in β ladder)trans-105.4126.3176.1-59.8-172.8000108.2L23 K106 F189 A190L23-L54 HydrophobicContact CD1-CD1 3.56Å; L23-L54 HydrophobicContact CD1-CG 4.05Å; L23-L54 HydrophobicContact CD2-CD1 3.8Å; L23-L54 HydrophobicContact CG-CD1 4.36Å; L54-K106 HydrophobicContact CD2-CB 4.12Å; L54-K106 HydrophobicContact CD2-CG 3.85Å; L54-F189 CarbonylContact O-C 3.5Å; L54-F189 WeakPolarHBondContact O-CA 3.41Å; L54-A190 HydrophobicContact CB-CB 4.43Å; L54-A190 PolarHBondContact N-O 2.88Å; L54-A190 PolarHBondContact O-N 3.48Å
55L97.4Very high91.1Very high4 Ų455.5 Ų55.52%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-111.6128.4172.5163.363.4000109.1I57 I69 E104 V105 M107 F187 F189L55-I57 HydrophobicContact CD1-CG1 4.07Å; L55-I57 HydrophobicContact CD2-CD1 3.96Å; L55-I57 HydrophobicContact CD2-CG1 3.88Å; L55-I57 HydrophobicContact CG-CD1 4.39Å; L55-I57 HydrophobicContact CG-CG1 3.79Å; L55-I69 HydrophobicContact CD2-CD1 3.3Å; L55-E104 CarbonylContact O-C 3.47Å; L55-E104 WeakPolarHBondContact O-CA 3.45Å; L55-V105 HydrophobicContact CB-CB 4.22Å; L55-V105 HydrophobicContact CD2-CB 4.35Å; L55-V105 HydrophobicContact CD2-CG2 4.26Å; L55-V105 PolarHBondContact N-O 3.48Å; L55-V105 PolarHBondContact O-N 2.9Å; L55-M107 HydrophobicContact CB-CE 3.45Å; L55-M107 VanDerWaalsContact CB-CE 3.45Å; L55-M107 HydrophobicContact CD2-CE 4.11Å; L55-M107 HydrophobicContact CG-CE 4.43Å; L55-F187 HydrophobicContact CD1-CB 3.85Å; L55-F187 HydrophobicContact CD1-CD1 3.81Å; L55-F187 HydrophobicContact CD1-CG 4.33Å; L55-F187 HydrophobicContact CD2-CD1 4.28Å; L55-F189 HydrophobicContact CB-CD1 3.99Å; L55-F189 HydrophobicContact CB-CE1 3.9Å; L55-F189 HydrophobicContact CD1-CD1 3.92Å; L55-F189 HydrophobicContact CD1-CE1 3.52Å; L55-F189 HydrophobicContact CD1-CE2 4.37Å; L55-F189 HydrophobicContact CD1-CZ 3.77Å; L55-F189 HydrophobicContact CD2-CE1 4.19Å; L55-F189 HydrophobicContact CG-CD1 4.49Å; L55-F189 HydrophobicContact CG-CE1 4.06Å
56R96.4Very high91Very high153 Ų15353 Ų5358%0.57724%0.244SC*.EExtended strand (participates in β ladder)trans-107.4128165.1-174.6177.9178.9-174.50.3109.5S103 D188R56-S103 CarbonylContact C-O 3.58Å; R56-S103 WeakPolarHBondContact CA-O 3.21Å; R56-D188 HydrophobicContact CB-CB 4.38Å; R56-D188 PolarHBondContact N-O 3.29Å; R56-D188 PolarHBondContact O-N 3.45Å
57I94.5Very high91.1Very high13 Ų1357.9 Ų57.97%0.06726%0.258CS..EExtended strand (participates in β ladder)trans-108.7126177.7-46.4178.6000108L55 T60 V66 V98 S103 V105 K186 F187L55-I57 HydrophobicContact CD1-CG1 4.07Å; L55-I57 HydrophobicContact CD2-CD1 3.96Å; L55-I57 HydrophobicContact CD2-CG1 3.88Å; L55-I57 HydrophobicContact CG-CD1 4.39Å; L55-I57 HydrophobicContact CG-CG1 3.79Å; I57-T60 HydrophobicContact CG2-CG2 3.5Å; I57-T60 VanDerWaalsContact CG2-CG2 3.5Å; I57-V66 HydrophobicContact CD1-CG1 4.13Å; I57-V98 HydrophobicContact CD1-CG1 4.31Å; I57-S103 PolarHBondContact N-O 3.17Å; I57-V105 HydrophobicContact CD1-CG2 4.25Å; I57-K186 WeakPolarHBondContact CA-O 3.29Å; I57-F187 HydrophobicContact CD1-CE1 4.15Å; I57-F187 HydrophobicContact CG1-CD1 4.1Å; I57-F187 HydrophobicContact CG1-CE1 4.11Å; I57-F187 HydrophobicContact CG2-CD1 4.35Å; I57-F187 HydrophobicContact CG2-CE1 3.91Å; I57-F187 HydrophobicContact CG2-CZ 4.34Å
58S93.4Very high91.4Very high31 Ų3161.2 Ų61.222%0.21727%0.27CS..EExtended strand (participates in β ladder)trans-133.8170.9177.155.20000111T60 G185 K186S58-T60 PolarHBondContact O-N 2.92Å; S58-T60 VanDerWaalsContact O-N 3.16Å; S58-G185 CarbonylContact O-C 3.58Å; S58-G185 WeakPolarHBondContact O-CA 3.3Å; S58-K186 PolarHBondContact N-O 3.43Å; S58-K186 PolarHBondContact O-N 3.11Å
59E88.4Confident91.6Very high140 Ų14061.2 Ų61.265%0.65427%0.27SS*.SBendtrans5534.6177.8-58.8172.2-143.100113.6R61 G185E59-R61 PolarHBondContact O-N 3.29Å; E59-G185 WeakPolarHBondContact O-CA 3.16Å
60T82.4Confident91.9Very high96 Ų9660.4 Ų60.459%0.58927%0.266SS*.  trans-66.9131.9-17450.50000111.9I57 S58 Y184I57-T60 HydrophobicContact CG2-CG2 3.5Å; I57-T60 VanDerWaalsContact CG2-CG2 3.5Å; S58-T60 PolarHBondContact O-N 2.92Å; S58-T60 VanDerWaalsContact O-N 3.16Å; T60-Y184 WeakPolarHBondContact CA-O 3.42Å
61R79.8Confident92Very high150 Ų15060.3 Ų60.357%0.56627%0.266SS*.  trans-100.1151.2172.9-60.5-161.3179.8-150.9-2.2111E59 K63 K183 Y184E59-R61 PolarHBondContact O-N 3.29Å; R61-K63 VanDerWaalsContact C-N 3.35Å; R61-K63 PolarHBondContact O-N 2.97Å; R61-K183 WeakPolarHBondContact CD-O 3.1Å; R61-K183 PolarHBondContact NE-O 3.43Å; R61-Y184 PolarHBondContact N-O 3.39Å
62R73.6Confident92.1Very high210 Ų21062 Ų6279%0.79227%0.27SS*.SBendtrans-73-21-172.2-65.1-176.2-178.8-177.70.7114.4K128 I130R62-K128 WeakPolarHBondContact O-CD 3.23Å; R62-K128 VanDerWaalsContact O-CE 3.24Å; R62-K128 WeakPolarHBondContact O-CE 3.44Å; R62-K128 WeakPolarHBondContact O-CG 3.43Å; R62-I130 HydrophobicContact CB-CD1 4.4Å
63K83.7Confident91.9Very high29 Ų2958.3 Ų58.313%0.12625%0.254CS..SBendtrans-66.7-50.3-173-178.7175.8176.9-164.40113.2R61 K128 I130 E132 D172 Y184R61-K63 VanDerWaalsContact C-N 3.35Å; R61-K63 PolarHBondContact O-N 2.97Å; K63-K128 PolarHBondContact O-N 2.99Å; K63-I130 WeakPolarHBondContact CD-O 3.37Å; K63-I130 VanDerWaalsContact CE-O 3.23Å; K63-I130 WeakPolarHBondContact CE-O 3.39Å; K63-I130 HydrophobicContact CG-CB 4.39Å; K63-E132 HydrophobicContact CD-CG 4.05Å; K63-D172 IonicContact NZ-OD2 2.79Å; K63-D172 PolarHBondContact NZ-OD2 3.19Å; K63-Y184 HydrophobicContact CB-CE1 4.12Å; K63-Y184 HydrophobicContact CD-CE1 4.06Å; K63-Y184 HydrophobicContact CG-CE1 4.18Å
64K88.6Confident91.6Very high28 Ų2858.2 Ų58.212%0.12225%0.254CS..EExtended strand (participates in β ladder)trans-143.1133.5-172.1-166.8171.1-178.7170.60110.7F125 H126 F174 Y184K64-F125 HydrophobicContact CD-CB 4.49Å; K64-F125 HydrophobicContact CD-CG 4.46Å; K64-F125 HydrophobicContact CG-CB 4.06Å; K64-F125 HydrophobicContact CG-CD1 4.29Å; K64-F125 HydrophobicContact CG-CG 4.36Å; K64-H126 CarbonylContact C-O 3.56Å; K64-H126 VanDerWaalsContact CA-O 3.27Å; K64-H126 WeakPolarHBondContact CA-O 3.43Å; K64-F174 HydrophobicContact CD-CD2 4.4Å; K64-Y184 HydrophobicContact CB-CD1 3.71Å; K64-Y184 HydrophobicContact CB-CD2 4.32Å; K64-Y184 HydrophobicContact CB-CE1 3.65Å; K64-Y184 HydrophobicContact CB-CE2 4.29Å; K64-Y184 HydrophobicContact CB-CG 4.02Å; K64-Y184 HydrophobicContact CD-CD2 4.46Å; K64-Y184 HydrophobicContact CD-CE2 3.98Å; K64-Y184 WeakPolarHBondContact O-CB 3.22Å
65S90.1Very high91Very high31 Ų3155.8 Ų55.822%0.21724%0.241CC..EExtended strand (participates in β ladder)trans-136.3160.6174.966.20000110.7F125 H126S65-F125 CarbonylContact O-C 3.5Å; S65-F125 WeakPolarHBondContact O-CA 3.36Å; S65-F125 WeakPolarHBondContact O-CB 3.46Å; S65-H126 PolarHBondContact N-O 3.36Å; S65-H126 PolarHBondContact O-N 3.21Å; S65-H126 WeakPolarHBondContact OG-CB 3.47Å
66V93.2Very high90.4Very high7 Ų758.6 Ų58.64%0.04225%0.254CS..EExtended strand (participates in β ladder)trans-77137.6178.158.10000110.7I57 R68 I69 V98 F122 F187I57-V66 HydrophobicContact CD1-CG1 4.13Å; V66-R68 VanDerWaalsContact CG2-O 3.32Å; V66-R68 WeakPolarHBondContact CG2-O 3.43Å; V66-I69 HydrophobicContact CG1-CD1 4.41Å; V66-I69 HydrophobicContact CG2-CD1 4.26Å; V66-I69 HydrophobicContact CG2-CG1 3.62Å; V66-V98 HydrophobicContact CG1-CB 4.21Å; V66-V98 HydrophobicContact CG1-CG1 3.99Å; V66-V98 HydrophobicContact CG1-CG2 4.2Å; V66-V98 HydrophobicContact CG2-CG2 4.32Å; V66-F122 HydrophobicContact CB-CD1 4.02Å; V66-F122 HydrophobicContact CG1-CD1 4.43Å; V66-F122 HydrophobicContact CG2-CB 4.39Å; V66-F122 HydrophobicContact CG2-CD1 3.79Å; V66-F187 HydrophobicContact CG1-CE1 4.24Å
67R94.2Very high89.7Confident132 Ų13255.8 Ų55.850%0.49825%0.254SS..EExtended strand (participates in β ladder)trans-107.1-30.9173.6-177.9173.2176.4-164.1-1.6112.9V98 L124 H126R67-V98 PolarHBondContact O-N 3.1Å; R67-L124 HydrophobicContact CB-CB 4.06Å; R67-L124 HydrophobicContact CG-CB 4.5Å; R67-L124 PolarHBondContact N-O 2.89Å; R67-H126 WeakPolarHBondContact CB-NE2 3.33Å; R67-H126 VanDerWaalsContact CG-NE2 3.35Å; R67-H126 WeakPolarHBondContact CG-NE2 3.39Å
68R96.9Very high89.1Confident92 Ų9255.4 Ų55.435%0.34725%0.252SS..EExtended strand (participates in β ladder)trans-144.7137.9179.3-168.9175-67169.52.4111.3V66 E95 F96 T123 L124V66-R68 VanDerWaalsContact CG2-O 3.32Å; V66-R68 WeakPolarHBondContact CG2-O 3.43Å; R68-E95 WeakPolarHBondContact CD-OE2 3.14Å; R68-E95 HydrophobicContact CG-CB 4.45Å; R68-E95 IonicContact NH1-OE2 3.88Å; R68-F96 WeakPolarHBondContact CA-O 3.43Å; R68-T123 WeakPolarHBondContact CG-OG1 3.5Å; R68-T123 PolarHBondContact O-N 3.45Å; R68-T123 PolarHBondContact O-OG1 3.33Å; R68-L124 HydrophobicContact CB-CB 3.83Å; R68-L124 HydrophobicContact CB-CD1 4.02Å; R68-L124 HydrophobicContact CB-CG 4.13Å; R68-L124 PolarHBondContact N-O 3.23Å
69I97.4Very high88.7Confident0 Ų058.4 Ų58.40%027%0.273CS..EExtended strand (participates in β ladder)trans-121128174.6-61.4176.5000108.4L55 V66 V71 E95 F96 V98 M107 I120 E121 F122L55-I69 HydrophobicContact CD2-CD1 3.3Å; V66-I69 HydrophobicContact CG1-CD1 4.41Å; V66-I69 HydrophobicContact CG2-CD1 4.26Å; V66-I69 HydrophobicContact CG2-CG1 3.62Å; I69-V71 HydrophobicContact CG2-CG2 4.36Å; I69-E95 CarbonylContact O-C 3.51Å; I69-E95 WeakPolarHBondContact O-CA 3.43Å; I69-F96 PolarHBondContact N-O 3.24Å; I69-F96 PolarHBondContact O-N 3.03Å; I69-V98 HydrophobicContact CD1-CG2 3.74Å; I69-V98 HydrophobicContact CG1-CG2 3.84Å; I69-M107 HydrophobicContact CD1-CE 4.29Å; I69-M107 HydrophobicContact CG2-SD 4.25Å; I69-I120 HydrophobicContact CG2-CG2 3.65Å; I69-E121 CarbonylContact C-O 3.59Å; I69-E121 VanDerWaalsContact CA-O 3.28Å; I69-E121 WeakPolarHBondContact CA-O 3.37Å; I69-F122 HydrophobicContact CD1-CD1 4.27Å; I69-F122 HydrophobicContact CD1-CE1 4.1Å; I69-F122 HydrophobicContact CG1-CD1 4.08Å; I69-F122 HydrophobicContact CG1-CE1 4.39Å
70S97.4Very high88.7Confident0 Ų053.7 Ų53.70%026%0.255CS..EExtended strand (participates in β ladder)trans-107.8125.4174.2-52.20000108.6E95 E121 T123S70-E95 WeakPolarHBondContact OG-CG 3.38Å; S70-E95 PolarHBondContact OG-OE1 3.45Å; S70-E121 PolarHBondContact N-O 3.36Å; S70-E121 PolarHBondContact O-N 2.9Å; S70-T123 WeakPolarHBondContact OG-CG2 3.33Å; S70-T123 PolarHBondContact OG-OG1 3.39Å
71V97.3Very high89Confident0 Ų049.7 Ų49.70%023%0.232CC..EExtended strand (participates in β ladder)trans-103.2121.8179.5-1770000108.7L53 I69 A93 R94 F96 M107 F109L53-V71 HydrophobicContact CD1-CG1 4.37Å; L53-V71 HydrophobicContact CD1-CG2 4.42Å; I69-V71 HydrophobicContact CG2-CG2 4.36Å; V71-A93 WeakPolarHBondContact O-CA 3.48Å; V71-A93 VanDerWaalsContact O-CB 3.31Å; V71-A93 WeakPolarHBondContact O-CB 3.34Å; V71-A93 PolarHBondContact O-N 3.15Å; V71-R94 PolarHBondContact N-O 3.01Å; V71-R94 PolarHBondContact O-N 3.36Å; V71-F96 HydrophobicContact CG2-CD2 4.15Å; V71-F96 HydrophobicContact CG2-CE2 4.03Å; V71-M107 HydrophobicContact CG2-SD 4.04Å; V71-F109 HydrophobicContact CB-CE1 4.31Å; V71-F109 HydrophobicContact CB-CZ 4.14Å; V71-F109 HydrophobicContact CG1-CE1 4.42Å; V71-F109 HydrophobicContact CG1-CZ 3.93Å; V71-F109 HydrophobicContact CG2-CZ 4.35Å
72Y95.7Very high89.5Confident47 Ų4747.1 Ų47.118%0.18423%0.233CC..EExtended strand (participates in β ladder)trans-113.3154.2174.9-58.7-101.9000110.4W90 M91 L92 L118 R119 E121Y72-W90 HydrophobicContact CD1-CB 4.21Å; Y72-M91 CarbonylContact C-O 3.57Å; Y72-M91 WeakPolarHBondContact CA-O 3.43Å; Y72-M91 WeakPolarHBondContact CB-O 3.48Å; Y72-L92 HydrophobicContact CD1-CB 3.96Å; Y72-L92 HydrophobicContact CD1-CD1 4.15Å; Y72-L92 HydrophobicContact CD2-CD1 4.44Å; Y72-L92 HydrophobicContact CE1-CB 3.81Å; Y72-L92 HydrophobicContact CE1-CD1 3.8Å; Y72-L92 HydrophobicContact CE1-CG 4.37Å; Y72-L92 HydrophobicContact CE2-CD1 4.14Å; Y72-L92 HydrophobicContact CG-CD1 4.44Å; Y72-L118 WeakPolarHBondContact O-CA 3.49Å; Y72-R119 HydrophobicContact CD2-CG 4.06Å; Y72-R119 PolarHBondContact N-O 3.08Å; Y72-R119 PolarHBondContact O-N 3.16Å; Y72-E121 HydrophobicContact CE2-CB 4.14Å; Y72-E121 VanDerWaalsContact CE2-OE2 3.24Å; Y72-E121 WeakPolarHBondContact CE2-OE2 3.31Å
73F93.8Very high90.3Very high5 Ų539.1 Ų39.12%0.02220%0.204CC..EExtended strand (participates in β ladder)trans-137.3160.4177.873.3-74.2000111.4M91 A93 F113 A115 S117 L118 R311 L314F73-M91 HydrophobicContact CD1-CB 4.21Å; F73-M91 VanDerWaalsContact CD1-O 3.27Å; F73-M91 WeakPolarHBondContact CD1-O 3.3Å; F73-M91 HydrophobicContact CD2-CE 4.26Å; F73-M91 HydrophobicContact CE1-CB 3.76Å; F73-M91 HydrophobicContact CE2-CE 3.63Å; F73-M91 HydrophobicContact CZ-CB 4.05Å; F73-M91 HydrophobicContact CZ-CE 3.79Å; F73-M91 HydrophobicContact CZ-SD 4.43Å; F73-M91 PolarHBondContact N-O 3.34Å; F73-M91 PolarHBondContact O-N 3.03Å; F73-A93 HydrophobicContact CD1-CB 3.81Å; F73-A93 HydrophobicContact CE1-CB 4.2Å; F73-F113 HydrophobicContact CB-CD2 3.71Å; F73-F113 HydrophobicContact CB-CE2 3.45Å; F73-F113 VanDerWaalsContact CB-CE2 3.45Å; F73-F113 HydrophobicContact CB-CZ 4.35Å; F73-F113 HydrophobicContact CD1-CD2 4.09Å; F73-F113 HydrophobicContact CD1-CE2 4.27Å; F73-F113 HydrophobicContact CD1-CG 4.42Å; F73-F113 HydrophobicContact CD2-CB 4.37Å; F73-F113 AromaticContact CD2-CD2 3.65Å; F73-F113 HydrophobicContact CD2-CD2 3.65Å; F73-F113 HydrophobicContact CD2-CE2 4.32Å; F73-F113 HydrophobicContact CD2-CG 4.28Å; F73-F113 HydrophobicContact CE2-CB 4.18Å; F73-F113 HydrophobicContact CE2-CD2 4.29Å; F73-F113 HydrophobicContact CE2-CG 4.49Å; F73-F113 AromaticContact CG-CD2 3.53Å; F73-F113 HydrophobicContact CG-CD2 3.53Å; F73-F113 AromaticContact CG-CE2 3.77Å; F73-F113 HydrophobicContact CG-CE2 3.77Å; F73-F113 HydrophobicContact CG-CG 4.24Å; F73-F113 HydrophobicContact CZ-CB 4.4Å; F73-A115 HydrophobicContact CB-CB 4.01Å; F73-S117 WeakPolarHBondContact CA-O 3.3Å; F73-L118 HydrophobicContact CB-CD2 4.11Å; F73-R311 HydrophobicContact CZ-CG 4.38Å; F73-L314 HydrophobicContact CE1-CD1 3.7Å; F73-L314 HydrophobicContact CZ-CD1 3.79Å
74S90.9Very high90.8Very high0 Ų037.8 Ų37.80%020%0.198CC..EExtended strand (participates in β ladder)trans-145137.2170.2176.50000108.6H76 I89 R116 S117S74-H76 PolarHBondContact OG-CD2 2.93Å; S74-H76 PolarHBondContact OG-N 3.18Å; S74-I89 WeakPolarHBondContact CB-O 3.43Å; S74-I89 PolarHBondContact OG-O 3Å; S74-R116 PolarHBondContact O-N 3.47Å; S74-S117 PolarHBondContact N-O 3.4Å; S74-S117 PolarHBondContact O-N 2.98Å
75N86.6Confident90.9Very high3 Ų342.2 Ų42.22%0.01622%0.218CC..  trans-108.322.5168.466.3-50.7000111.7Y47 Q201Y47-N75 HydrophobicContact CE1-CB 4.21Å; N75-Q201 VanDerWaalsContact C-NE2 3.26Å; N75-Q201 WeakPolarHBondContact ND2-CG 3.46Å; N75-Q201 WeakPolarHBondContact OD1-CG 3.28Å; N75-Q201 PolarHBondContact OD1-NE2 2.96Å
76H84.2Confident91Very high64 Ų6446.1 Ų46.130%0.29623%0.228SC..SBendtrans-69.2138.9168.2-73-70.2000109.4S74 I78 R116 Q201S74-H76 PolarHBondContact OG-CD2 2.93Å; S74-H76 PolarHBondContact OG-N 3.18Å; H76-I78 HydrophobicContact CB-CG1 4.48Å; H76-I78 PolarHBondContact O-N 3.24Å; H76-R116 WeakPolarHBondContact O-CB 3.19Å; H76-R116 WeakPolarHBondContact O-CG 3.17Å; H76-Q201 PolarHBondContact CD2-NE2 3.27Å; H76-Q201 PolarHBondContact CE1-NE2 3.38Å; H76-Q201 PolarHBondContact ND1-NE2 2.86Å; H76-Q201 PolarHBondContact NE2-NE2 3.31Å; H76-Q201 VanDerWaalsContact NE2-NE2 3.11Å; H76-Q201 PolarHBondContact NE2-OE1 3.05Å
77T81.4Confident90.7Very high93 Ų9351.2 Ų51.257%0.57126%0.255SS*.  trans-64.5122.2164-56.10000107.7Y47Y47-T77 PolarHBondContact OH-OG1 3.47Å
78I82.9Confident90.4Very high6 Ų650.5 Ų50.53%0.03126%0.261CS..  trans-118.4129.3-179.8-69.6176.2000107.6K43 H76 S80 E83 L84 I89 S117K43-I78 WeakPolarHBondContact CE-O 3.13Å; K43-I78 PolarHBondContact NZ-O 3.44Å; H76-I78 HydrophobicContact CB-CG1 4.48Å; H76-I78 PolarHBondContact O-N 3.24Å; I78-S80 WeakPolarHBondContact CG2-O 3.46Å; I78-E83 HydrophobicContact CG1-CB 4.43Å; I78-E83 HydrophobicContact CG2-CB 3.7Å; I78-E83 HydrophobicContact CG2-CG 4.24Å; I78-L84 HydrophobicContact CD1-CD2 3.81Å; I78-I89 HydrophobicContact CD1-CD1 3.8Å; I78-S117 WeakPolarHBondContact CD1-OG 3.4Å
79S85.1Confident90Very high94 Ų9446.3 Ų46.366%0.65725%0.245SC*.SBendtrans-77.9-40.2179.665.90000111.7K43 E83K43-S79 PolarHBondContact NZ-O 3.17Å; S79-E83 WeakPolarHBondContact CB-OE1 3.27Å; S79-E83 PolarHBondContact N-OE1 2.94Å; S79-E83 PolarHBondContact OG-OE1 2.96Å
80S87.6Confident89.8Confident40 Ų4047.4 Ų47.428%0.2825%0.249SC..SBendtrans-146.3162.1-173.169.30000114I78 V82 E83I78-S80 WeakPolarHBondContact CG2-O 3.46Å; S80-V82 PolarHBondContact O-N 2.87Å; S80-E83 PolarHBondContact O-N 3.33Å; S80-E83 VanDerWaalsContact O-N 3.15Å
81A87.6Confident89.4Confident12 Ų1248.8 Ų48.810%0.09926%0.256CS..G310 helixtrans-55.7-24.1176.500000114.2E32 Q34 E83 L84E32-A81 HydrophobicContact CB-CB 3.96Å; E32-A81 PolarHBondContact OE2-N 2.83Å; Q34-A81 HydrophobicContact CG-CB 4.08Å; Q34-A81 VanDerWaalsContact CG-O 3.23Å; Q34-A81 WeakPolarHBondContact CG-O 3.37Å; A81-E83 VanDerWaalsContact C-N 3.28Å; A81-E83 PolarHBondContact O-N 3.49Å; A81-L84 VanDerWaalsContact O-CB 3.32Å; A81-L84 WeakPolarHBondContact O-CB 3.34Å; A81-L84 PolarHBondContact O-N 3.49Å
82V90.6Very high89.2Confident96 Ų9652.1 Ų52.158%0.58227%0.274SS*.G310 helixtrans-62.3-38.1179.4179.30000111.1S80 L84 K85S80-V82 PolarHBondContact O-N 2.87Å; V82-L84 PolarHBondContact O-N 3.41Å; V82-K85 VanDerWaalsContact O-CB 3.28Å; V82-K85 WeakPolarHBondContact O-CB 3.48Å; V82-K85 WeakPolarHBondContact O-CG 3.49Å; V82-K85 PolarHBondContact O-N 3.39Å; V82-K85 VanDerWaalsContact O-N 3.08Å
83E91.2Very high89.1Confident43 Ų4350.5 Ų50.520%0.20127%0.27CS..G310 helixtrans-67.9-22.1-179.3-59.5-174.8-117.400112.7I78 S79 S80 A81 K85 R86I78-E83 HydrophobicContact CG1-CB 4.43Å; I78-E83 HydrophobicContact CG2-CB 3.7Å; I78-E83 HydrophobicContact CG2-CG 4.24Å; S79-E83 WeakPolarHBondContact CB-OE1 3.27Å; S79-E83 PolarHBondContact N-OE1 2.94Å; S79-E83 PolarHBondContact OG-OE1 2.96Å; S80-E83 PolarHBondContact O-N 3.33Å; S80-E83 VanDerWaalsContact O-N 3.15Å; A81-E83 VanDerWaalsContact C-N 3.28Å; A81-E83 PolarHBondContact O-N 3.49Å; E83-K85 PolarHBondContact O-N 3.41Å; E83-R86 VanDerWaalsContact O-CB 3.23Å; E83-R86 WeakPolarHBondContact O-CB 3.31Å; E83-R86 WeakPolarHBondContact O-CG 3.43Å; E83-R86 PolarHBondContact O-N 3.08Å; E83-R86 IonicContact OE2-NH1 3.93Å
84L93.6Very high89.1Confident0 Ų056.1 Ų56.10%029%0.291CS..G310 helixtrans-61.9-14173.2-59.9173.8000112.5Q34 R41 K43 I78 A81 V82 W90Q34-L84 HydrophobicContact CB-CB 4.47Å; Q34-L84 HydrophobicContact CG-CB 4.32Å; Q34-L84 HydrophobicContact CG-CD1 4.32Å; R41-L84 HydrophobicContact CB-CB 4.18Å; R41-L84 HydrophobicContact CB-CD1 4.44Å; R41-L84 WeakPolarHBondContact CD-O 3.43Å; R41-L84 PolarHBondContact NH1-O 3.43Å; K43-L84 HydrophobicContact CB-CD1 4.23Å; I78-L84 HydrophobicContact CD1-CD2 3.81Å; A81-L84 VanDerWaalsContact O-CB 3.32Å; A81-L84 WeakPolarHBondContact O-CB 3.34Å; A81-L84 PolarHBondContact O-N 3.49Å; V82-L84 PolarHBondContact O-N 3.41Å; L84-W90 HydrophobicContact CB-CZ2 4.32Å; L84-W90 HydrophobicContact CD2-CH2 3.91Å; L84-W90 HydrophobicContact CD2-CZ2 4.07Å
85K92.3Very high89.3Confident122 Ų12259.9 Ų59.953%0.5331%0.308SS..G310 helixtrans-75.2-24.8175.7-64.3-177.1179.5179.20113R41 V82 E83R41-K85 VanDerWaalsContact NH1-CA 3.33Å; R41-K85 PolarHBondContact NH1-O 2.76Å; V82-K85 VanDerWaalsContact O-CB 3.28Å; V82-K85 WeakPolarHBondContact O-CB 3.48Å; V82-K85 WeakPolarHBondContact O-CG 3.49Å; V82-K85 PolarHBondContact O-N 3.39Å; V82-K85 VanDerWaalsContact O-N 3.08Å; E83-K85 PolarHBondContact O-N 3.41Å
86R91.5Very high89.8Confident112 Ų11260.4 Ų60.442%0.42331%0.31SS..  trans-59.6138.1178.8-71.5174.761178.21.9111.2E83 D88 I89 W90E83-R86 VanDerWaalsContact O-CB 3.23Å; E83-R86 WeakPolarHBondContact O-CB 3.31Å; E83-R86 WeakPolarHBondContact O-CG 3.43Å; E83-R86 PolarHBondContact O-N 3.08Å; E83-R86 IonicContact OE2-NH1 3.93Å; R86-D88 WeakPolarHBondContact CB-OD1 3.35Å; R86-D88 IonicContact CZ-OD2 3.34Å; R86-D88 IonicContact NE-OD1 3.21Å; R86-D88 PolarHBondContact NE-OD1 3.13Å; R86-D88 IonicContact NE-OD2 3.8Å; R86-D88 IonicContact NH2-OD1 3.75Å; R86-D88 IonicContact NH2-OD2 2.91Å; R86-D88 PolarHBondContact NH2-OD2 3.05Å; R86-I89 HydrophobicContact CB-CD1 4.33Å; R86-I89 HydrophobicContact CB-CG1 4.15Å; R86-I89 HydrophobicContact CB-CG2 4.23Å; R86-W90 PolarHBondContact O-NE1 3.46Å
87N87.2Confident90.3Very high115 Ų11562.2 Ų62.262%0.61533%0.328SS*.SBendtrans-92.6-26.2-179.2-73.6-32000112.9I89N87-I89 VanDerWaalsContact C-N 3.28Å; N87-I89 PolarHBondContact O-N 3.45Å
88D88.1Confident90.9Very high116 Ų11658.1 Ų58.162%0.6230%0.303SS*.THydrogen-bonded Turntrans-71.4-18.6-175.659.6-53.7000114.2R86R86-D88 WeakPolarHBondContact CB-OD1 3.35Å; R86-D88 IonicContact CZ-OD2 3.34Å; R86-D88 IonicContact NE-OD1 3.21Å; R86-D88 PolarHBondContact NE-OD1 3.13Å; R86-D88 IonicContact NE-OD2 3.8Å; R86-D88 IonicContact NH2-OD1 3.75Å; R86-D88 IonicContact NH2-OD2 2.91Å; R86-D88 PolarHBondContact NH2-OD2 3.05Å
89I88.5Confident91.3Very high4 Ų462 Ų622%0.02133%0.327CS..THydrogen-bonded Turntrans-86.2-11-176.164164.8000114.1S74 I78 R86 N87S74-I89 WeakPolarHBondContact CB-O 3.43Å; S74-I89 PolarHBondContact OG-O 3Å; I78-I89 HydrophobicContact CD1-CD1 3.8Å; R86-I89 HydrophobicContact CB-CD1 4.33Å; R86-I89 HydrophobicContact CB-CG1 4.15Å; R86-I89 HydrophobicContact CB-CG2 4.23Å; N87-I89 VanDerWaalsContact C-N 3.28Å; N87-I89 PolarHBondContact O-N 3.45Å
90W92.1Very high91.3Very high24 Ų2461.8 Ų61.89%0.09132%0.316CS..  trans-94.9134.5-171.1-61.9105.8000111.5R41 Y72 L84 R86 L118 R119R41-W90 HydrophobicContact CB-CH2 4.41Å; R41-W90 HydrophobicContact CB-CZ2 4.26Å; R41-W90 HydrophobicContact CG-CZ2 4.42Å; Y72-W90 HydrophobicContact CD1-CB 4.21Å; L84-W90 HydrophobicContact CB-CZ2 4.32Å; L84-W90 HydrophobicContact CD2-CH2 3.91Å; L84-W90 HydrophobicContact CD2-CZ2 4.07Å; R86-W90 PolarHBondContact O-NE1 3.46Å; W90-L118 VanDerWaalsContact CZ3-C 3.43Å; W90-R119 HydrophobicContact CD2-CB 3.92Å; W90-R119 HydrophobicContact CE3-CB 3.66Å; W90-R119 HydrophobicContact CH2-CB 3.76Å; W90-R119 HydrophobicContact CZ2-CB 4.03Å; W90-R119 HydrophobicContact CZ3-CB 3.59Å
91M89.8Confident91.2Very high28 Ų2863.6 Ų63.614%0.13834%0.34CS..EExtended strand (participates in β ladder)trans-116.6134.7168.7-67.1175.9-70.600109.6Y72 F73 A93 R311Y72-M91 CarbonylContact C-O 3.57Å; Y72-M91 WeakPolarHBondContact CA-O 3.43Å; Y72-M91 WeakPolarHBondContact CB-O 3.48Å; F73-M91 HydrophobicContact CD1-CB 4.21Å; F73-M91 VanDerWaalsContact CD1-O 3.27Å; F73-M91 WeakPolarHBondContact CD1-O 3.3Å; F73-M91 HydrophobicContact CD2-CE 4.26Å; F73-M91 HydrophobicContact CE1-CB 3.76Å; F73-M91 HydrophobicContact CE2-CE 3.63Å; F73-M91 HydrophobicContact CZ-CB 4.05Å; F73-M91 HydrophobicContact CZ-CE 3.79Å; F73-M91 HydrophobicContact CZ-SD 4.43Å; F73-M91 PolarHBondContact N-O 3.34Å; F73-M91 PolarHBondContact O-N 3.03Å; M91-A93 PolarHBondContact O-N 2.97Å; M91-R311 HydrophobicContact CE-CG 3.84Å; M91-R311 HydrophobicContact SD-CB 4.23Å; M91-R311 WeakPolarHBondContact SD-CD 3.34Å; M91-R311 HydrophobicContact SD-CG 3.52Å; M91-R311 VanDerWaalsContact SD-CG 3.52Å
92L92.6Very high91.2Very high71 Ų7167.8 Ų67.837%0.37236%0.358SS..EExtended strand (participates in β ladder)trans-67123.9174.4-177.863.9000108.9Y72 E95Y72-L92 HydrophobicContact CD1-CB 3.96Å; Y72-L92 HydrophobicContact CD1-CD1 4.15Å; Y72-L92 HydrophobicContact CD2-CD1 4.44Å; Y72-L92 HydrophobicContact CE1-CB 3.81Å; Y72-L92 HydrophobicContact CE1-CD1 3.8Å; Y72-L92 HydrophobicContact CE1-CG 4.37Å; Y72-L92 HydrophobicContact CE2-CD1 4.14Å; Y72-L92 HydrophobicContact CG-CD1 4.44Å; L92-E95 HydrophobicContact CD1-CG 4.18Å; L92-E95 HydrophobicContact CD2-CG 4.21Å
93A93Very high91.1Very high12 Ų1266.7 Ų66.710%0.09935%0.354CS..EExtended strand (participates in β ladder)trans-83.7-53.6170.400000110.3V71 F73 M91 F109 F113 L314V71-A93 WeakPolarHBondContact O-CA 3.48Å; V71-A93 VanDerWaalsContact O-CB 3.31Å; V71-A93 WeakPolarHBondContact O-CB 3.34Å; V71-A93 PolarHBondContact O-N 3.15Å; F73-A93 HydrophobicContact CD1-CB 3.81Å; F73-A93 HydrophobicContact CE1-CB 4.2Å; M91-A93 PolarHBondContact O-N 2.97Å; A93-F109 HydrophobicContact CB-CD1 4.14Å; A93-F109 HydrophobicContact CB-CE1 3.73Å; A93-F113 HydrophobicContact CB-CD1 4.24Å; A93-F113 HydrophobicContact CB-CE1 3.72Å; A93-F113 HydrophobicContact CB-CZ 4Å; A93-L314 WeakPolarHBondContact O-CD2 3.24Å
94R94.2Very high91.3Very high123 Ų12370.2 Ų70.246%0.46437%0.371SS..EExtended strand (participates in β ladder)trans-170.5153.4179.9-169.7163.2-175.4-168.77.5111.2V71 F96 D108 F109V71-R94 PolarHBondContact N-O 3.01Å; V71-R94 PolarHBondContact O-N 3.36Å; R94-F96 HydrophobicContact CB-CD2 4.44Å; R94-F96 HydrophobicContact CB-CE2 3.64Å; R94-F96 HydrophobicContact CB-CZ 3.72Å; R94-F96 HydrophobicContact CG-CD2 4.46Å; R94-F96 HydrophobicContact CG-CE1 4.08Å; R94-F96 HydrophobicContact CG-CE2 3.92Å; R94-F96 HydrophobicContact CG-CZ 3.71Å; R94-D108 PolarHBondContact NH1-O 3.48Å; R94-F109 HydrophobicContact CB-CD1 4.07Å; R94-F109 HydrophobicContact CB-CE1 4Å
95E96Very high91.4Very high79 Ų7970.9 Ų70.937%0.36938%0.375SS..EExtended strand (participates in β ladder)trans-100.2142165.5-52.2-158.5129.100111.2R68 I69 S70 L92R68-E95 WeakPolarHBondContact CD-OE2 3.14Å; R68-E95 HydrophobicContact CG-CB 4.45Å; R68-E95 IonicContact NH1-OE2 3.88Å; I69-E95 CarbonylContact O-C 3.51Å; I69-E95 WeakPolarHBondContact O-CA 3.43Å; S70-E95 WeakPolarHBondContact OG-CG 3.38Å; S70-E95 PolarHBondContact OG-OE1 3.45Å; L92-E95 HydrophobicContact CD1-CG 4.18Å; L92-E95 HydrophobicContact CD2-CG 4.21Å
96F96.3Very high91.6Very high14 Ų1472.1 Ų72.16%0.06138%0.381CS..EExtended strand (participates in β ladder)trans-126.1124.8-178.6-62.4-87000110.2R68 I69 V71 R94 M107 F109R68-F96 WeakPolarHBondContact CA-O 3.43Å; I69-F96 PolarHBondContact N-O 3.24Å; I69-F96 PolarHBondContact O-N 3.03Å; V71-F96 HydrophobicContact CG2-CD2 4.15Å; V71-F96 HydrophobicContact CG2-CE2 4.03Å; R94-F96 HydrophobicContact CB-CD2 4.44Å; R94-F96 HydrophobicContact CB-CE2 3.64Å; R94-F96 HydrophobicContact CB-CZ 3.72Å; R94-F96 HydrophobicContact CG-CD2 4.46Å; R94-F96 HydrophobicContact CG-CE1 4.08Å; R94-F96 HydrophobicContact CG-CE2 3.92Å; R94-F96 HydrophobicContact CG-CZ 3.71Å; F96-M107 HydrophobicContact CB-CG 3.95Å; F96-M107 HydrophobicContact CB-SD 4.16Å; F96-M107 HydrophobicContact CD1-CB 3.81Å; F96-M107 HydrophobicContact CD1-CG 3.69Å; F96-M107 HydrophobicContact CD2-CB 3.85Å; F96-M107 HydrophobicContact CD2-CG 3.62Å; F96-M107 HydrophobicContact CD2-SD 3.6Å; F96-M107 VanDerWaalsContact CE1-CA 3.44Å; F96-M107 HydrophobicContact CE1-CB 3.6Å; F96-M107 HydrophobicContact CE1-CG 4.03Å; F96-M107 HydrophobicContact CE2-CB 3.63Å; F96-M107 HydrophobicContact CE2-CG 3.96Å; F96-M107 HydrophobicContact CE2-SD 4.13Å; F96-M107 HydrophobicContact CG-CB 3.93Å; F96-M107 HydrophobicContact CG-CG 3.46Å; F96-M107 VanDerWaalsContact CG-CG 3.46Å; F96-M107 HydrophobicContact CG-SD 3.91Å; F96-M107 HydrophobicContact CZ-CB 3.49Å; F96-M107 VanDerWaalsContact CZ-CB 3.49Å; F96-M107 HydrophobicContact CZ-CG 4.15Å; F96-F109 HydrophobicContact CE2-CD1 4.44Å; F96-F109 AromaticContact CE2-CE1 3.67Å; F96-F109 HydrophobicContact CE2-CE1 3.67Å; F96-F109 HydrophobicContact CE2-CZ 4.05Å; F96-F109 HydrophobicContact CZ-CD1 4.03Å; F96-F109 AromaticContact CZ-CE1 3.69Å; F96-F109 HydrophobicContact CZ-CE1 3.69Å; F96-F109 HydrophobicContact CZ-CZ 4.15Å
97P95.5Very high91.8Very high102 Ų10266.8 Ų66.866%0.66236%0.36SS*.EExtended strand (participates in β ladder)trans-68.2144.8167.630.5-33.1000109.8
98V93.3Very high92.2Very high7 Ų764.2 Ų64.24%0.04235%0.347CS..  trans-118.2115.9171.9-177.10000107.5I57 V66 R67 I69 V105I57-V98 HydrophobicContact CD1-CG1 4.31Å; V66-V98 HydrophobicContact CG1-CB 4.21Å; V66-V98 HydrophobicContact CG1-CG1 3.99Å; V66-V98 HydrophobicContact CG1-CG2 4.2Å; V66-V98 HydrophobicContact CG2-CG2 4.32Å; R67-V98 PolarHBondContact O-N 3.1Å; I69-V98 HydrophobicContact CD1-CG2 3.74Å; I69-V98 HydrophobicContact CG1-CG2 3.84Å; V98-V105 HydrophobicContact CG1-CG2 3.77Å; V98-V105 HydrophobicContact CG2-CG1 4.27Å; V98-V105 HydrophobicContact CG2-CG2 4.18Å
99T90.5Very high92.5Very high88 Ų8859.7 Ų59.754%0.5432%0.321SS..  trans-72.5135.7176.1-560000109.6G101 H102T99-G101 PolarHBondContact O-N 3.02Å; T99-H102 VanDerWaalsContact CB-CE1 3.49Å; T99-H102 WeakPolarHBondContact CB-CE1 3.39Å; T99-H102 WeakPolarHBondContact CB-ND1 3.37Å; T99-H102 VanDerWaalsContact CG2-CE1 3.45Å; T99-H102 WeakPolarHBondContact CG2-CE1 3.38Å; T99-H102 WeakPolarHBondContact O-CB 3.5Å; T99-H102 PolarHBondContact O-N 3.31Å; T99-H102 PolarHBondContact O-ND1 3.35Å
100E86.9Confident92.4Very high89 Ų8964.2 Ų64.242%0.41636%0.359SS..THydrogen-bonded Turntrans-55.6139.2179-165.4-179.8171.700111.2H102 K128E100-H102 VanDerWaalsContact C-N 3.28Å; E100-H102 PolarHBondContact O-N 2.99Å; E100-K128 WeakPolarHBondContact OE1-CE 3.39Å; E100-K128 IonicContact OE1-NZ 2.7Å; E100-K128 PolarHBondContact OE1-NZ 3.49Å
101G84.3Confident92Very high78 Ų7865.5 Ų65.580%0.80437%0.37SS*.THydrogen-bonded Turntrans81.8-8.9179.300000115.7T99 S103T99-G101 PolarHBondContact O-N 3.02Å; G101-S103 PolarHBondContact O-N 2.9Å
102H87Confident92Very high100 Ų10065.9 Ų65.946%0.46337%0.374SS..  trans-70129175.8-75.853.6000111.3T99 E100T99-H102 VanDerWaalsContact CB-CE1 3.49Å; T99-H102 WeakPolarHBondContact CB-CE1 3.39Å; T99-H102 WeakPolarHBondContact CB-ND1 3.37Å; T99-H102 VanDerWaalsContact CG2-CE1 3.45Å; T99-H102 WeakPolarHBondContact CG2-CE1 3.38Å; T99-H102 WeakPolarHBondContact O-CB 3.5Å; T99-H102 PolarHBondContact O-N 3.31Å; T99-H102 PolarHBondContact O-ND1 3.35Å; E100-H102 VanDerWaalsContact C-N 3.28Å; E100-H102 PolarHBondContact O-N 2.99Å
103S90.2Very high91.8Very high73 Ų7362.7 Ų62.751%0.5136%0.357SS..SBendtrans-91.9-12.7175.356.20000113R56 I57 G101R56-S103 CarbonylContact C-O 3.58Å; R56-S103 WeakPolarHBondContact CA-O 3.21Å; I57-S103 PolarHBondContact N-O 3.17Å; G101-S103 PolarHBondContact O-N 2.9Å
104E94.5Very high91.6Very high118 Ų11862.2 Ų62.255%0.55135%0.353SS*.EExtended strand (participates in β ladder)trans-135.7132.5177.3-65.7-170.6173.900110.4L55L55-E104 CarbonylContact O-C 3.47Å; L55-E104 WeakPolarHBondContact O-CA 3.45Å
105V95.2Very high91.5Very high14 Ų1456.3 Ų56.39%0.08533%0.331CS..EExtended strand (participates in β ladder)trans-125.9117.9178.3-173.90000108.2L55 I57 V98 M107L55-V105 HydrophobicContact CB-CB 4.22Å; L55-V105 HydrophobicContact CD2-CB 4.35Å; L55-V105 HydrophobicContact CD2-CG2 4.26Å; L55-V105 PolarHBondContact N-O 3.48Å; L55-V105 PolarHBondContact O-N 2.9Å; I57-V105 HydrophobicContact CD1-CG2 4.25Å; V98-V105 HydrophobicContact CG1-CG2 3.77Å; V98-V105 HydrophobicContact CG2-CG1 4.27Å; V98-V105 HydrophobicContact CG2-CG2 4.18Å; V105-M107 HydrophobicContact CB-CE 4.36Å; V105-M107 HydrophobicContact CG1-CE 4.16Å; V105-M107 HydrophobicContact CG1-CG 4.08Å
106K96.3Very high91.4Very high148 Ų14853.9 Ų53.964%0.64332%0.318SS*.EExtended strand (participates in β ladder)trans-94.4120.4175.7-59.2-174.1178.5172.30109.1L54L54-K106 HydrophobicContact CD2-CB 4.12Å; L54-K106 HydrophobicContact CD2-CG 3.85Å
107M97Very high91.3Very high0 Ų053.2 Ų53.20%032%0.315CS..EExtended strand (participates in β ladder)trans-11487.2-178.3-64.3178.9-112.800109.4K52 L53 L55 I69 V71 F96 V105K52-M107 WeakPolarHBondContact CA-O 3.4Å; L53-M107 HydrophobicContact CB-CB 4.18Å; L53-M107 HydrophobicContact CD2-CE 3.16Å; L53-M107 HydrophobicContact CD2-SD 3.73Å; L53-M107 PolarHBondContact N-O 3.41Å; L53-M107 WeakPolarHBondContact O-CA 3.45Å; L53-M107 VanDerWaalsContact O-CB 3.25Å; L53-M107 WeakPolarHBondContact O-CB 3.46Å; L53-M107 PolarHBondContact O-N 3.11Å; L55-M107 HydrophobicContact CB-CE 3.45Å; L55-M107 VanDerWaalsContact CB-CE 3.45Å; L55-M107 HydrophobicContact CD2-CE 4.11Å; L55-M107 HydrophobicContact CG-CE 4.43Å; I69-M107 HydrophobicContact CD1-CE 4.29Å; I69-M107 HydrophobicContact CG2-SD 4.25Å; V71-M107 HydrophobicContact CG2-SD 4.04Å; F96-M107 HydrophobicContact CB-CG 3.95Å; F96-M107 HydrophobicContact CB-SD 4.16Å; F96-M107 HydrophobicContact CD1-CB 3.81Å; F96-M107 HydrophobicContact CD1-CG 3.69Å; F96-M107 HydrophobicContact CD2-CB 3.85Å; F96-M107 HydrophobicContact CD2-CG 3.62Å; F96-M107 HydrophobicContact CD2-SD 3.6Å; F96-M107 VanDerWaalsContact CE1-CA 3.44Å; F96-M107 HydrophobicContact CE1-CB 3.6Å; F96-M107 HydrophobicContact CE1-CG 4.03Å; F96-M107 HydrophobicContact CE2-CB 3.63Å; F96-M107 HydrophobicContact CE2-CG 3.96Å; F96-M107 HydrophobicContact CE2-SD 4.13Å; F96-M107 HydrophobicContact CG-CB 3.93Å; F96-M107 HydrophobicContact CG-CG 3.46Å; F96-M107 VanDerWaalsContact CG-CG 3.46Å; F96-M107 HydrophobicContact CG-SD 3.91Å; F96-M107 HydrophobicContact CZ-CB 3.49Å; F96-M107 VanDerWaalsContact CZ-CB 3.49Å; F96-M107 HydrophobicContact CZ-CG 4.15Å; V105-M107 HydrophobicContact CB-CE 4.36Å; V105-M107 HydrophobicContact CG1-CE 4.16Å; V105-M107 HydrophobicContact CG1-CG 4.08Å
108D95.6Very high91.4Very high61 Ų6148.4 Ų48.433%0.32628%0.284SS..EExtended strand (participates in β ladder)trans-83.3133.1177.3-64.2-84.9000111.2K52 R94K52-D108 WeakPolarHBondContact CD-OD1 3.13Å; K52-D108 WeakPolarHBondContact CE-OD1 3.3Å; K52-D108 WeakPolarHBondContact CG-OD1 3.44Å; K52-D108 IonicContact NZ-OD1 3.33Å; K52-D108 PolarHBondContact NZ-OD1 3.41Å; R94-D108 PolarHBondContact NH1-O 3.48Å
109F93Very high91.6Very high21 Ų2149.4 Ų49.49%0.09229%0.287CS..EExtended strand (participates in β ladder)trans-99.7131.4173.7-57.2-76.1000109.6I50 A51 L53 V71 A93 R94 F96 V111 F113I50-F109 HydrophobicContact CG2-CE2 4.23Å; A51-F109 WeakPolarHBondContact O-CD2 3.44Å; A51-F109 PolarHBondContact O-N 2.95Å; A51-F109 VanDerWaalsContact O-N 3.09Å; L53-F109 HydrophobicContact CB-CE2 4.12Å; L53-F109 HydrophobicContact CB-CZ 4.46Å; V71-F109 HydrophobicContact CB-CE1 4.31Å; V71-F109 HydrophobicContact CB-CZ 4.14Å; V71-F109 HydrophobicContact CG1-CE1 4.42Å; V71-F109 HydrophobicContact CG1-CZ 3.93Å; V71-F109 HydrophobicContact CG2-CZ 4.35Å; A93-F109 HydrophobicContact CB-CD1 4.14Å; A93-F109 HydrophobicContact CB-CE1 3.73Å; R94-F109 HydrophobicContact CB-CD1 4.07Å; R94-F109 HydrophobicContact CB-CE1 4Å; F96-F109 HydrophobicContact CE2-CD1 4.44Å; F96-F109 AromaticContact CE2-CE1 3.67Å; F96-F109 HydrophobicContact CE2-CE1 3.67Å; F96-F109 HydrophobicContact CE2-CZ 4.05Å; F96-F109 HydrophobicContact CZ-CD1 4.03Å; F96-F109 AromaticContact CZ-CE1 3.69Å; F96-F109 HydrophobicContact CZ-CE1 3.69Å; F96-F109 HydrophobicContact CZ-CZ 4.15Å; F109-V111 WeakPolarHBondContact CB-O 3.27Å; F109-V111 PolarHBondContact O-N 2.98Å; F109-V111 VanDerWaalsContact O-N 3.14Å; F109-F113 HydrophobicContact CB-CE1 4.43Å; F109-F113 HydrophobicContact CD1-CD1 4.43Å; F109-F113 AromaticContact CD1-CE1 3.7Å; F109-F113 HydrophobicContact CD1-CE1 3.7Å; F109-F113 HydrophobicContact CD2-CD1 4.43Å; F109-F113 AromaticContact CD2-CE1 3.59Å; F109-F113 HydrophobicContact CD2-CE1 3.59Å; F109-F113 HydrophobicContact CD2-CZ 4.35Å; F109-F113 AromaticContact CE1-CE1 3.74Å; F109-F113 HydrophobicContact CE1-CE1 3.74Å; F109-F113 HydrophobicContact CE1-CZ 4.31Å; F109-F113 AromaticContact CE2-CE1 3.65Å; F109-F113 HydrophobicContact CE2-CE1 3.65Å; F109-F113 AromaticContact CE2-CZ 3.99Å; F109-F113 HydrophobicContact CE2-CZ 3.99Å; F109-F113 HydrophobicContact CG-CD1 4.24Å; F109-F113 AromaticContact CG-CE1 3.64Å; F109-F113 HydrophobicContact CG-CE1 3.64Å; F109-F113 AromaticContact CZ-CE1 3.73Å; F109-F113 HydrophobicContact CZ-CE1 3.73Å; F109-F113 AromaticContact CZ-CZ 3.97Å; F109-F113 HydrophobicContact CZ-CZ 3.97Å
110A87.1Confident91.9Very high98 Ų9845.3 Ų45.381%0.8126%0.262SS*.EExtended strand (participates in β ladder)trans-58.6-29.8-17900000112.8
111V84Confident92.5Very high52 Ų5242.4 Ų42.432%0.31525%0.248SC..EExtended strand (participates in β ladder)trans-130.9139.9173.5-176.20000106.9F109 F306 K310F109-V111 WeakPolarHBondContact CB-O 3.27Å; F109-V111 PolarHBondContact O-N 2.98Å; F109-V111 VanDerWaalsContact O-N 3.14Å; V111-F306 HydrophobicContact CG1-CZ 4.18Å; V111-K310 HydrophobicContact CB-CD 4.29Å; V111-K310 HydrophobicContact CG1-CD 3.71Å; V111-K310 HydrophobicContact CG1-CG 4.3Å; V111-K310 PolarHBondContact O-NZ 3.49Å
112P89.2Confident93.1Very high36 Ų3638.7 Ų38.723%0.23421%0.21CC..EExtended strand (participates in β ladder)trans-70.7134.5171.2-20.533.5000113M21 E49 I50 A51 K310M21-P112 HydrophobicContact CE-CB 4.01Å; M21-P112 HydrophobicContact CE-CG 4.09Å; E49-P112 HydrophobicContact CG-CB 3.73Å; I50-P112 CarbonylContact O-C 3.52Å; I50-P112 WeakPolarHBondContact O-CA 3.48Å; A51-P112 HydrophobicContact CB-CB 3.99Å; A51-P112 HydrophobicContact CB-CG 3.82Å; P112-K310 WeakPolarHBondContact O-CD 3.21Å; P112-K310 PolarHBondContact O-NZ 2.74Å
113F88Confident93.4Very high3 Ų336.1 Ų36.11%0.01320%0.202CC..EExtended strand (participates in β ladder)trans-115.6148.8-179.553.2-87.2000110.6E49 I50 F73 A93 F109 A115 L118 K310E49-F113 CarbonylContact C-O 3.5Å; E49-F113 WeakPolarHBondContact CA-O 3.42Å; I50-F113 HydrophobicContact CB-CE2 4.22Å; I50-F113 HydrophobicContact CB-CZ 4.23Å; I50-F113 HydrophobicContact CD1-CE2 3.97Å; I50-F113 HydrophobicContact CD1-CZ 4.48Å; I50-F113 HydrophobicContact CG2-CZ 4.26Å; I50-F113 PolarHBondContact N-O 2.92Å; I50-F113 PolarHBondContact O-N 3.47Å; F73-F113 HydrophobicContact CB-CD2 3.71Å; F73-F113 HydrophobicContact CB-CE2 3.45Å; F73-F113 VanDerWaalsContact CB-CE2 3.45Å; F73-F113 HydrophobicContact CB-CZ 4.35Å; F73-F113 HydrophobicContact CD1-CD2 4.09Å; F73-F113 HydrophobicContact CD1-CE2 4.27Å; F73-F113 HydrophobicContact CD1-CG 4.42Å; F73-F113 HydrophobicContact CD2-CB 4.37Å; F73-F113 AromaticContact CD2-CD2 3.65Å; F73-F113 HydrophobicContact CD2-CD2 3.65Å; F73-F113 HydrophobicContact CD2-CE2 4.32Å; F73-F113 HydrophobicContact CD2-CG 4.28Å; F73-F113 HydrophobicContact CE2-CB 4.18Å; F73-F113 HydrophobicContact CE2-CD2 4.29Å; F73-F113 HydrophobicContact CE2-CG 4.49Å; F73-F113 AromaticContact CG-CD2 3.53Å; F73-F113 HydrophobicContact CG-CD2 3.53Å; F73-F113 AromaticContact CG-CE2 3.77Å; F73-F113 HydrophobicContact CG-CE2 3.77Å; F73-F113 HydrophobicContact CG-CG 4.24Å; F73-F113 HydrophobicContact CZ-CB 4.4Å; A93-F113 HydrophobicContact CB-CD1 4.24Å; A93-F113 HydrophobicContact CB-CE1 3.72Å; A93-F113 HydrophobicContact CB-CZ 4Å; F109-F113 HydrophobicContact CB-CE1 4.43Å; F109-F113 HydrophobicContact CD1-CD1 4.43Å; F109-F113 AromaticContact CD1-CE1 3.7Å; F109-F113 HydrophobicContact CD1-CE1 3.7Å; F109-F113 HydrophobicContact CD2-CD1 4.43Å; F109-F113 AromaticContact CD2-CE1 3.59Å; F109-F113 HydrophobicContact CD2-CE1 3.59Å; F109-F113 HydrophobicContact CD2-CZ 4.35Å; F109-F113 AromaticContact CE1-CE1 3.74Å; F109-F113 HydrophobicContact CE1-CE1 3.74Å; F109-F113 HydrophobicContact CE1-CZ 4.31Å; F109-F113 AromaticContact CE2-CE1 3.65Å; F109-F113 HydrophobicContact CE2-CE1 3.65Å; F109-F113 AromaticContact CE2-CZ 3.99Å; F109-F113 HydrophobicContact CE2-CZ 3.99Å; F109-F113 HydrophobicContact CG-CD1 4.24Å; F109-F113 AromaticContact CG-CE1 3.64Å; F109-F113 HydrophobicContact CG-CE1 3.64Å; F109-F113 AromaticContact CZ-CE1 3.73Å; F109-F113 HydrophobicContact CZ-CE1 3.73Å; F109-F113 AromaticContact CZ-CZ 3.97Å; F109-F113 HydrophobicContact CZ-CZ 3.97Å; F113-A115 HydrophobicContact CD2-CB 4.12Å; F113-A115 HydrophobicContact CE2-CB 4.07Å; F113-L118 HydrophobicContact CE2-CD2 3.87Å; F113-L118 HydrophobicContact CZ-CD2 4.3Å; F113-K310 HydrophobicContact CB-CD 4.16Å
114I89.2Confident93.6Very high2 Ų235.9 Ų35.91%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-88.3132.3171.9-66.2174.7000109.5Y47 C48 E49 V196 L303 H307Y47-I114 HydrophobicContact CD1-CG2 3.94Å; C48-I114 CarbonylContact O-C 3.6Å; C48-I114 VanDerWaalsContact O-CA 3.28Å; C48-I114 WeakPolarHBondContact O-CA 3.12Å; E49-I114 HydrophobicContact CB-CD1 4.33Å; E49-I114 HydrophobicContact CB-CG1 3.72Å; E49-I114 HydrophobicContact CG-CG1 4Å; I114-V196 HydrophobicContact CB-CG2 4.44Å; I114-V196 HydrophobicContact CD1-CB 4.12Å; I114-V196 HydrophobicContact CD1-CG1 4.21Å; I114-V196 HydrophobicContact CD1-CG2 3.59Å; I114-V196 HydrophobicContact CG1-CG2 3.85Å; I114-V196 HydrophobicContact CG2-CG2 3.74Å; I114-L303 HydrophobicContact CD1-CD2 4.09Å; I114-H307 WeakPolarHBondContact CB-CE1 3.36Å; I114-H307 WeakPolarHBondContact CB-NE2 2.85Å; I114-H307 WeakPolarHBondContact CD1-CE1 3.24Å; I114-H307 WeakPolarHBondContact CD1-NE2 3.46Å; I114-H307 WeakPolarHBondContact CG1-CE1 3.46Å; I114-H307 WeakPolarHBondContact CG1-NE2 3.31Å
115A92.3Very high93.5Very high0 Ų032.6 Ų32.60%018%0.178CC..EExtended strand (participates in β ladder)trans-132.1140.9177.200000110.4L44 Y47 C48 I50 F73 F113 L118L44-A115 HydrophobicContact CD1-CB 4.38Å; Y47-A115 WeakPolarHBondContact CA-O 3.37Å; C48-A115 PolarHBondContact N-O 3.01Å; C48-A115 PolarHBondContact O-N 3.48Å; I50-A115 HydrophobicContact CD1-CB 3.91Å; F73-A115 HydrophobicContact CB-CB 4.01Å; F113-A115 HydrophobicContact CD2-CB 4.12Å; F113-A115 HydrophobicContact CE2-CB 4.07Å; A115-L118 HydrophobicContact CB-CD2 4.04Å; A115-L118 HydrophobicContact CB-CG 4.49Å
116R93.1Very high93.2Very high27 Ų2734.4 Ų34.410%0.10219%0.186CC..EExtended strand (participates in β ladder)trans-95.4-23.6161.7-171.858.2-173.680.3-13.6111.3E31 L44 Y47 S74 H76E31-R116 IonicContact OE2-CZ 3.58Å; E31-R116 IonicContact OE2-NH1 3.1Å; E31-R116 IonicContact OE2-NH2 3.25Å; E31-R116 PolarHBondContact OE2-NH2 3.46Å; L44-R116 WeakPolarHBondContact CB-O 3.48Å; L44-R116 PolarHBondContact N-O 3.07Å; L44-R116 PolarHBondContact O-NH1 3.28Å; L44-R116 PolarHBondContact O-NH2 2.88Å; L44-R116 VanDerWaalsContact O-NH2 3.17Å; Y47-R116 HydrophobicContact CD1-CB 3.88Å; Y47-R116 HydrophobicContact CE1-CB 3.62Å; Y47-R116 HydrophobicContact CE1-CG 4.15Å; Y47-R116 HydrophobicContact CE2-CG 4.26Å; Y47-R116 HydrophobicContact CG-CB 4.46Å; S74-R116 PolarHBondContact O-N 3.47Å; H76-R116 WeakPolarHBondContact O-CB 3.19Å; H76-R116 WeakPolarHBondContact O-CG 3.17Å
117S95.5Very high92.7Very high0 Ų031.7 Ų31.70%018%0.178CC..EExtended strand (participates in β ladder)trans-144.4148.1179.5-64.80000112V42 F73 S74 I78V42-S117 CarbonylContact O-C 3.59Å; V42-S117 WeakPolarHBondContact O-CA 3.31Å; V42-S117 WeakPolarHBondContact O-CB 3.49Å; F73-S117 WeakPolarHBondContact CA-O 3.3Å; S74-S117 PolarHBondContact N-O 3.4Å; S74-S117 PolarHBondContact O-N 2.98Å; I78-S117 WeakPolarHBondContact CD1-OG 3.4Å
118L97.1Very high92.1Very high2 Ų236.9 Ų36.91%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-124.2142.8177.9-69.5174.2000110.4L26 R41 V42 L44 I50 Y72 F73 W90 F113 A115 L191L26-L118 HydrophobicContact CD1-CD1 4.35Å; R41-L118 CarbonylContact C-O 3.53Å; R41-L118 WeakPolarHBondContact CA-O 3.13Å; V42-L118 PolarHBondContact N-O 3.46Å; V42-L118 PolarHBondContact O-N 2.81Å; L44-L118 HydrophobicContact CD1-CG 4.47Å; L44-L118 HydrophobicContact CD2-CD1 4.36Å; I50-L118 HydrophobicContact CD1-CD1 3.85Å; I50-L118 HydrophobicContact CD1-CD2 3.83Å; I50-L118 HydrophobicContact CD1-CG 4.16Å; Y72-L118 WeakPolarHBondContact O-CA 3.49Å; F73-L118 HydrophobicContact CB-CD2 4.11Å; W90-L118 VanDerWaalsContact CZ3-C 3.43Å; F113-L118 HydrophobicContact CE2-CD2 3.87Å; F113-L118 HydrophobicContact CZ-CD2 4.3Å; A115-L118 HydrophobicContact CB-CD2 4.04Å; A115-L118 HydrophobicContact CB-CG 4.49Å; L118-L191 HydrophobicContact CD1-CD1 3.61Å; L118-L191 HydrophobicContact CD1-CD2 4.01Å; L118-L191 HydrophobicContact CD1-CG 4.46Å
119R97.5Very high91.5Very high28 Ų2836.9 Ų36.911%0.10621%0.214CC..EExtended strand (participates in β ladder)trans-123.3118.9165.9160.4-174.8177.8171.92108.1I40 R41 Y72 W90 E121I40-R119 CarbonylContact O-C 3.52Å; I40-R119 WeakPolarHBondContact O-CA 3.18Å; R41-R119 HydrophobicContact CG-CB 4.15Å; R41-R119 HydrophobicContact CG-CG 4.13Å; Y72-R119 HydrophobicContact CD2-CG 4.06Å; Y72-R119 PolarHBondContact N-O 3.08Å; Y72-R119 PolarHBondContact O-N 3.16Å; W90-R119 HydrophobicContact CD2-CB 3.92Å; W90-R119 HydrophobicContact CE3-CB 3.66Å; W90-R119 HydrophobicContact CH2-CB 3.76Å; W90-R119 HydrophobicContact CZ2-CB 4.03Å; W90-R119 HydrophobicContact CZ3-CB 3.59Å; R119-E121 IonicContact CZ-OE1 3.82Å; R119-E121 IonicContact CZ-OE2 2.75Å; R119-E121 IonicContact NE-OE1 2.76Å; R119-E121 IonicContact NE-OE2 2.73Å; R119-E121 PolarHBondContact NE-OE2 3.3Å; R119-E121 IonicContact NH2-OE1 3.57Å; R119-E121 PolarHBondContact NH2-OE1 3.41Å; R119-E121 IonicContact NH2-OE2 3.96Å; R119-E121 PolarHBondContact NH2-OE2 3.18Å
120I98Very high91Very high2 Ų239.3 Ų39.31%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-104.2116174.8-55.7170.7000106.2L26 S39 I40 L53 I69 F189L26-I120 HydrophobicContact CD2-CD1 4.15Å; S39-I120 CarbonylContact C-O 3.53Å; S39-I120 VanDerWaalsContact CA-O 3.24Å; S39-I120 WeakPolarHBondContact CA-O 3.14Å; I40-I120 PolarHBondContact N-O 2.99Å; I40-I120 PolarHBondContact O-N 3.36Å; L53-I120 HydrophobicContact CD1-CD1 3.94Å; L53-I120 HydrophobicContact CD1-CG1 4.27Å; I69-I120 HydrophobicContact CG2-CG2 3.65Å; I120-F189 HydrophobicContact CD1-CD1 3.72Å; I120-F189 HydrophobicContact CD1-CD2 4.09Å; I120-F189 HydrophobicContact CD1-CE1 3.69Å; I120-F189 HydrophobicContact CD1-CE2 4.11Å; I120-F189 HydrophobicContact CD1-CG 3.89Å; I120-F189 HydrophobicContact CD1-CZ 3.89Å; I120-F189 HydrophobicContact CG2-CE1 3.9Å; I120-F189 HydrophobicContact CG2-CZ 3.83Å
121E97.7Very high90.6Very high27 Ų2741.2 Ų41.213%0.12623%0.229CC..EExtended strand (participates in β ladder)trans-117.4125.9-175.3-173.5163.9-143.300111.2T38 I69 S70 Y72 R119 T123T38-E121 CarbonylContact O-C 3.17Å; T38-E121 WeakPolarHBondContact O-CA 3.32Å; I69-E121 CarbonylContact C-O 3.59Å; I69-E121 VanDerWaalsContact CA-O 3.28Å; I69-E121 WeakPolarHBondContact CA-O 3.37Å; S70-E121 PolarHBondContact N-O 3.36Å; S70-E121 PolarHBondContact O-N 2.9Å; Y72-E121 HydrophobicContact CE2-CB 4.14Å; Y72-E121 VanDerWaalsContact CE2-OE2 3.24Å; Y72-E121 WeakPolarHBondContact CE2-OE2 3.31Å; R119-E121 IonicContact CZ-OE1 3.82Å; R119-E121 IonicContact CZ-OE2 2.75Å; R119-E121 IonicContact NE-OE1 2.76Å; R119-E121 IonicContact NE-OE2 2.73Å; R119-E121 PolarHBondContact NE-OE2 3.3Å; R119-E121 IonicContact NH2-OE1 3.57Å; R119-E121 PolarHBondContact NH2-OE1 3.41Å; R119-E121 IonicContact NH2-OE2 3.96Å; R119-E121 PolarHBondContact NH2-OE2 3.18Å; E121-T123 HydrophobicContact CB-CG2 4.22Å; E121-T123 HydrophobicContact CG-CG2 3.72Å; E121-T123 PolarHBondContact O-N 2.88Å
122F96.8Very high90.4Very high1 Ų142.6 Ų42.60%0.00423%0.232CC..EExtended strand (participates in β ladder)trans-84.793.4173.4-56.1-86.6000107.8T38 I40 V66 I69 F125 F174 L175 F187 F189T38-F122 VanDerWaalsContact O-CD2 3.3Å; T38-F122 WeakPolarHBondContact O-CD2 3.37Å; T38-F122 PolarHBondContact O-N 2.9Å; I40-F122 HydrophobicContact CD1-CE2 3.99Å; I40-F122 HydrophobicContact CD1-CZ 4.32Å; I40-F122 HydrophobicContact CG1-CE2 4.31Å; V66-F122 HydrophobicContact CB-CD1 4.02Å; V66-F122 HydrophobicContact CG1-CD1 4.43Å; V66-F122 HydrophobicContact CG2-CB 4.39Å; V66-F122 HydrophobicContact CG2-CD1 3.79Å; I69-F122 HydrophobicContact CD1-CD1 4.27Å; I69-F122 HydrophobicContact CD1-CE1 4.1Å; I69-F122 HydrophobicContact CG1-CD1 4.08Å; I69-F122 HydrophobicContact CG1-CE1 4.39Å; F122-F125 HydrophobicContact CB-CE1 3.81Å; F122-F125 HydrophobicContact CB-CZ 3.75Å; F122-F125 WeakPolarHBondContact O-CZ 3.42Å; F122-F174 HydrophobicContact CB-CD1 4.16Å; F122-F174 HydrophobicContact CB-CE1 4.03Å; F122-F174 AromaticContact CD1-CE1 3.72Å; F122-F174 HydrophobicContact CD1-CE1 3.72Å; F122-F174 HydrophobicContact CD1-CZ 4.34Å; F122-F174 HydrophobicContact CD2-CD1 4.09Å; F122-F174 AromaticContact CD2-CE1 3.85Å; F122-F174 HydrophobicContact CD2-CE1 3.85Å; F122-F174 HydrophobicContact CE1-CE1 4.11Å; F122-F174 HydrophobicContact CE2-CE1 4.24Å; F122-F174 HydrophobicContact CG-CD1 4.04Å; F122-F174 AromaticContact CG-CE1 3.59Å; F122-F174 HydrophobicContact CG-CE1 3.59Å; F122-F174 HydrophobicContact CZ-CE1 4.35Å; F122-L175 HydrophobicContact CD2-CD1 3.87Å; F122-L175 HydrophobicContact CE2-CD1 3.82Å; F122-L175 HydrophobicContact CE2-CD2 4.49Å; F122-F187 AromaticContact CE1-CD1 3.68Å; F122-F187 HydrophobicContact CE1-CD1 3.68Å; F122-F187 AromaticContact CE1-CE1 3.72Å; F122-F187 HydrophobicContact CE1-CE1 3.72Å; F122-F187 HydrophobicContact CE1-CG 4.21Å; F122-F187 HydrophobicContact CE1-CZ 4.29Å; F122-F187 HydrophobicContact CZ-CB 4.48Å; F122-F187 AromaticContact CZ-CD1 3.89Å; F122-F187 HydrophobicContact CZ-CD1 3.89Å; F122-F187 HydrophobicContact CZ-CD2 4.33Å; F122-F187 HydrophobicContact CZ-CE1 4.28Å; F122-F187 AromaticContact CZ-CG 3.95Å; F122-F187 HydrophobicContact CZ-CG 3.95Å; F122-F189 HydrophobicContact CZ-CZ 4.05Å
123T94.4Very high90.3Very high46 Ų4645.7 Ų45.728%0.28225%0.25SS..EExtended strand (participates in β ladder)trans-88.1-28.7-167.346.60000113.9R68 S70 E121R68-T123 WeakPolarHBondContact CG-OG1 3.5Å; R68-T123 PolarHBondContact O-N 3.45Å; R68-T123 PolarHBondContact O-OG1 3.33Å; S70-T123 WeakPolarHBondContact OG-CG2 3.33Å; S70-T123 PolarHBondContact OG-OG1 3.39Å; E121-T123 HydrophobicContact CB-CG2 4.22Å; E121-T123 HydrophobicContact CG-CG2 3.72Å; E121-T123 PolarHBondContact O-N 2.88Å
124L94.3Very high90.3Very high67 Ų6747.1 Ų47.135%0.35126%0.258SS..EExtended strand (participates in β ladder)trans-137149.4177.8-64.6172.8000110.9R67 R68R67-L124 HydrophobicContact CB-CB 4.06Å; R67-L124 HydrophobicContact CG-CB 4.5Å; R67-L124 PolarHBondContact N-O 2.89Å; R68-L124 HydrophobicContact CB-CB 3.83Å; R68-L124 HydrophobicContact CB-CD1 4.02Å; R68-L124 HydrophobicContact CB-CG 4.13Å; R68-L124 PolarHBondContact N-O 3.23Å
125F92.9Very high90.4Very high50 Ų5051.4 Ų51.422%0.21928%0.279CS..EExtended strand (participates in β ladder)trans-127.2147.4-177.6-56.4-80.9000111.5T38 K64 S65 F122 F174T38-F125 HydrophobicContact CG2-CE2 4.3Å; T38-F125 HydrophobicContact CG2-CZ 4.23Å; K64-F125 HydrophobicContact CD-CB 4.49Å; K64-F125 HydrophobicContact CD-CG 4.46Å; K64-F125 HydrophobicContact CG-CB 4.06Å; K64-F125 HydrophobicContact CG-CD1 4.29Å; K64-F125 HydrophobicContact CG-CG 4.36Å; S65-F125 CarbonylContact O-C 3.5Å; S65-F125 WeakPolarHBondContact O-CA 3.36Å; S65-F125 WeakPolarHBondContact O-CB 3.46Å; F122-F125 HydrophobicContact CB-CE1 3.81Å; F122-F125 HydrophobicContact CB-CZ 3.75Å; F122-F125 WeakPolarHBondContact O-CZ 3.42Å; F125-F174 AromaticContact CD1-CD2 3.82Å; F125-F174 HydrophobicContact CD1-CD2 3.82Å; F125-F174 AromaticContact CD1-CE2 3.88Å; F125-F174 HydrophobicContact CD1-CE2 3.88Å; F125-F174 HydrophobicContact CD1-CG 4.25Å; F125-F174 HydrophobicContact CD1-CZ 4.36Å; F125-F174 HydrophobicContact CE1-CB 3.94Å; F125-F174 AromaticContact CE1-CD1 3.59Å; F125-F174 HydrophobicContact CE1-CD1 3.59Å; F125-F174 AromaticContact CE1-CD2 3.37Å; F125-F174 HydrophobicContact CE1-CD2 3.37Å; F125-F174 AromaticContact CE1-CE1 3.83Å; F125-F174 HydrophobicContact CE1-CE1 3.83Å; F125-F174 AromaticContact CE1-CE2 3.61Å; F125-F174 HydrophobicContact CE1-CE2 3.61Å; F125-F174 AromaticContact CE1-CG 3.34Å; F125-F174 HydrophobicContact CE1-CG 3.34Å; F125-F174 AromaticContact CE1-CZ 3.82Å; F125-F174 HydrophobicContact CE1-CZ 3.82Å; F125-F174 HydrophobicContact CZ-CB 3.89Å; F125-F174 HydrophobicContact CZ-CD1 4Å; F125-F174 HydrophobicContact CZ-CD2 4.19Å; F125-F174 AromaticContact CZ-CG 3.78Å; F125-F174 HydrophobicContact CZ-CG 3.78Å
126H87.5Confident90.5Very high52 Ų5251.5 Ų51.524%0.24128%0.279CS..EExtended strand (participates in β ladder)trans-85.8119.6155.4-62-82.3000107.1K64 S65 R67K64-H126 CarbonylContact C-O 3.56Å; K64-H126 VanDerWaalsContact CA-O 3.27Å; K64-H126 WeakPolarHBondContact CA-O 3.43Å; S65-H126 PolarHBondContact N-O 3.36Å; S65-H126 PolarHBondContact O-N 3.21Å; S65-H126 WeakPolarHBondContact OG-CB 3.47Å; R67-H126 WeakPolarHBondContact CB-NE2 3.33Å; R67-H126 VanDerWaalsContact CG-NE2 3.35Å; R67-H126 WeakPolarHBondContact CG-NE2 3.39Å
127D86.9Confident90.4Very high90 Ų9052.9 Ų52.948%0.48129%0.292SS..EExtended strand (participates in β ladder)trans-118.4122.9174.7-165-31.6000108.2G129D127-G129 VanDerWaalsContact C-N 3.25Å; D127-G129 PolarHBondContact O-N 2.97Å; D127-G129 PolarHBondContact OD1-N 3.24Å
128K84.2Confident90.3Very high110 Ų11061.2 Ų61.248%0.47832%0.324SS..  trans-84.71.9-177.6-58-162.3-169.8-163.20113R62 K63 E100 I130R62-K128 WeakPolarHBondContact O-CD 3.23Å; R62-K128 VanDerWaalsContact O-CE 3.24Å; R62-K128 WeakPolarHBondContact O-CE 3.44Å; R62-K128 WeakPolarHBondContact O-CG 3.43Å; K63-K128 PolarHBondContact O-N 2.99Å; E100-K128 WeakPolarHBondContact OE1-CE 3.39Å; E100-K128 IonicContact OE1-NZ 2.7Å; E100-K128 PolarHBondContact OE1-NZ 3.49Å; K128-I130 HydrophobicContact CB-CD1 3.85Å; K128-I130 HydrophobicContact CB-CG1 3.84Å; K128-I130 HydrophobicContact CD-CD1 4.37Å; K128-I130 PolarHBondContact O-N 3.05Å; K128-I130 VanDerWaalsContact O-N 3.12Å
129G82.4Confident90.2Very high60 Ų6063.9 Ų63.962%0.61934%0.342SS*.  trans64.615.2-178.100000113.6D127 V131D127-G129 VanDerWaalsContact C-N 3.25Å; D127-G129 PolarHBondContact O-N 2.97Å; D127-G129 PolarHBondContact OD1-N 3.24Å; G129-V131 PolarHBondContact O-N 2.72Å
130I82.3Confident90.1Very high72 Ų7266.7 Ų66.737%0.36937%0.366SS..  trans-69.3117.5-179.6-62.4170.7000108.4R62 K63 K128 E132R62-I130 HydrophobicContact CB-CD1 4.4Å; K63-I130 WeakPolarHBondContact CD-O 3.37Å; K63-I130 VanDerWaalsContact CE-O 3.23Å; K63-I130 WeakPolarHBondContact CE-O 3.39Å; K63-I130 HydrophobicContact CG-CB 4.39Å; K128-I130 HydrophobicContact CB-CD1 3.85Å; K128-I130 HydrophobicContact CB-CG1 3.84Å; K128-I130 HydrophobicContact CD-CD1 4.37Å; K128-I130 PolarHBondContact O-N 3.05Å; K128-I130 VanDerWaalsContact O-N 3.12Å; I130-E132 HydrophobicContact CG2-CG 4.49Å; I130-E132 PolarHBondContact O-N 3.48Å
131V80.5Confident90Very high139 Ų13967.9 Ų67.984%0.84238%0.375SS*.  trans-81.6105.9174.3-175.80000108.6G129G129-V131 PolarHBondContact O-N 2.72Å
132E78.4Confident89.9Confident80 Ų8071.7 Ų71.737%0.37440%0.4SS..PPolyproline II helixtrans-83.4134.1174.3-74.3177.7162.600110.5K63 I130 L134K63-E132 HydrophobicContact CD-CG 4.05Å; I130-E132 HydrophobicContact CG2-CG 4.49Å; I130-E132 PolarHBondContact O-N 3.48Å; E132-L134 PolarHBondContact O-N 3.23Å
133V86.6Confident89.8Confident101 Ų10172 Ų7261%0.61240%0.402SS*.PPolyproline II helixtrans-67.3123.9169.6-179.40000108.3M135 V142V133-M135 HydrophobicContact CG1-SD 4.08Å; V133-M135 PolarHBondContact O-N 3.38Å; V133-V142 HydrophobicContact CG1-CB 4.39Å; V133-V142 HydrophobicContact CG1-CG1 3.61Å; V133-V142 HydrophobicContact CG1-CG2 4.07Å
134L88.8Confident89.6Confident34 Ų3479 Ų7918%0.17842%0.424CS..EExtended strand (participates in β ladder)trans-74.6122.1179.6-174.465.2000109.4E132 V143 A157 L158E132-L134 PolarHBondContact O-N 3.23Å; L134-V143 HydrophobicContact CB-CB 4.44Å; L134-V143 HydrophobicContact CD2-CB 4.18Å; L134-V143 HydrophobicContact CD2-CG1 4.03Å; L134-V143 HydrophobicContact CG-CB 4.15Å; L134-V143 PolarHBondContact O-N 3.37Å; L134-A157 HydrophobicContact CD1-CB 3.89Å; L134-A157 HydrophobicContact CD2-CB 3.73Å; L134-A157 HydrophobicContact CG-CB 3.58Å; L134-L158 HydrophobicContact CD1-CD2 4.14Å; L134-L158 HydrophobicContact CD2-CD2 3.74Å; L134-L158 HydrophobicContact CD2-CG 4.21Å
135M92.1Very high89.1Confident91 Ų9179.4 Ų79.445%0.44843%0.432SS..EExtended strand (participates in β ladder)trans-108.2137-178.6-60.3-62-82.600110.2V133 S140 V142V133-M135 HydrophobicContact CG1-SD 4.08Å; V133-M135 PolarHBondContact O-N 3.38Å; M135-S140 WeakPolarHBondContact CE-O 3.45Å; M135-V142 HydrophobicContact CE-CG2 4.45Å; M135-V142 HydrophobicContact SD-CG2 3.85Å
136C93.1Very high88.8Confident2 Ų283.6 Ų83.61%0.01445%0.452CS..  trans-63.8123.6175.3178.60000109.7R138 S140 A141 V143 C150 C153C136-R138 PolarHBondContact O-N 2.99Å; C136-R138 VanDerWaalsContact O-N 3.16Å; C136-R138 PolarHBondContact SG-N 2.9Å; C136-S140 WeakPolarHBondContact O-CA 3.38Å; C136-S140 PolarHBondContact O-N 3.29Å; C136-A141 HydrophobicContact CB-CB 4.42Å; C136-A141 WeakPolarHBondContact CB-O 3.23Å; C136-A141 PolarHBondContact N-O 3.18Å; C136-V143 HydrophobicContact CB-CG2 3.72Å; C136-C150 HydrophobicContact CB-CB 3.87Å; C136-C150 VanDerWaalsContact SG-CB 3.55Å; C136-C153 PolarHBondContact SG-SG 3.01Å
137P91.1Very high88.9Confident57 Ų5785.6 Ų85.637%0.3747%0.47SS..THydrogen-bonded Turntrans-70.6-11.4-17829-35.3000113.4E155P137-E155 HydrophobicContact CG-CG 3.93Å
138R93.3Very high89.1Confident175 Ų17581.3 Ų81.366%0.6645%0.447SS*.THydrogen-bonded Turntrans-97.6-44.5-178.3-173.3173.7-178.2-171.6-0.3113.4C136 E155C136-R138 PolarHBondContact O-N 2.99Å; C136-R138 VanDerWaalsContact O-N 3.16Å; C136-R138 PolarHBondContact SG-N 2.9Å; R138-E155 HydrophobicContact CB-CB 4.2Å; R138-E155 HydrophobicContact CB-CG 4.13Å; R138-E155 WeakPolarHBondContact CD-OE2 3.49Å
139C96.1Very high89.6Confident58 Ų5878.8 Ų78.839%0.39244%0.44SS..THydrogen-bonded Turntrans-123.63.7-175.166.40000114.1A141 C150C139-A141 PolarHBondContact O-N 2.91Å; C139-C150 VanDerWaalsContact SG-SG 3.62Å
140S94.8Very high90.2Very high87 Ų8776.1 Ų76.161%0.60841%0.412SS*.  trans59.811.6-179-53.90000115.2M135 C136M135-S140 WeakPolarHBondContact CE-O 3.45Å; C136-S140 WeakPolarHBondContact O-CA 3.38Å; C136-S140 PolarHBondContact O-N 3.29Å
141A96.2Very high90.8Very high26 Ų2680.4 Ų80.422%0.21544%0.435CS..  trans-65.4146.5171.900000110.9C136 C139 V143C136-A141 HydrophobicContact CB-CB 4.42Å; C136-A141 WeakPolarHBondContact CB-O 3.23Å; C136-A141 PolarHBondContact N-O 3.18Å; C139-A141 PolarHBondContact O-N 2.91Å; A141-V143 WeakPolarHBondContact O-CG2 3.24Å; A141-V143 PolarHBondContact O-N 2.92Å
142V95.3Very high91.6Very high107 Ų10778.3 Ų78.365%0.64843%0.427SS*.EExtended strand (participates in β ladder)trans-65.6132.8173.1175.60000109.7V133 M135V133-V142 HydrophobicContact CG1-CB 4.39Å; V133-V142 HydrophobicContact CG1-CG1 3.61Å; V133-V142 HydrophobicContact CG1-CG2 4.07Å; M135-V142 HydrophobicContact CE-CG2 4.45Å; M135-V142 HydrophobicContact SD-CG2 3.85Å
143V94.3Very high92.4Very high7 Ų776.5 Ų76.54%0.04242%0.422CS..EExtended strand (participates in β ladder)trans-117.4135.1-177.6-176.40000109.6L134 C136 A141 C150 A157L134-V143 HydrophobicContact CB-CB 4.44Å; L134-V143 HydrophobicContact CD2-CB 4.18Å; L134-V143 HydrophobicContact CD2-CG1 4.03Å; L134-V143 HydrophobicContact CG-CB 4.15Å; L134-V143 PolarHBondContact O-N 3.37Å; C136-V143 HydrophobicContact CB-CG2 3.72Å; A141-V143 WeakPolarHBondContact O-CG2 3.24Å; A141-V143 PolarHBondContact O-N 2.92Å; V143-C150 HydrophobicContact CG2-CB 3.86Å; V143-A157 HydrophobicContact CB-CB 4.04Å; V143-A157 HydrophobicContact CG1-CB 4.01Å; V143-A157 HydrophobicContact CG2-CB 3.94Å
144R90.6Very high92.8Very high195 Ų19574.1 Ų74.174%0.73642%0.419SS*.  trans-69.2134.5171.3-63.8-176.6-177.3-170.20.7109.2Q146 G148R144-Q146 PolarHBondContact O-N 2.97Å; R144-G148 VanDerWaalsContact O-CA 3.24Å; R144-G148 WeakPolarHBondContact O-CA 3.39Å; R144-G148 PolarHBondContact O-N 3.28Å
145S84.3Confident93.1Very high75 Ų7574.3 Ų74.352%0.52442%0.418SS..THydrogen-bonded Turntrans-60.6-14.3179.6-50.20000114
146Q85.9Confident93.2Very high137 Ų13771.3 Ų71.364%0.6440%0.404SS*.THydrogen-bonded Turntrans-135.1114.6174.6-151.6142.3-7.100108.2R144 R171R144-Q146 PolarHBondContact O-N 2.97Å; Q146-R171 VanDerWaalsContact NE2-NH2 3.11Å; Q146-R171 VanDerWaalsContact OE1-NH1 3.16Å
147P89.4Confident93.2Very high95 Ų9571.4 Ų71.462%0.61741%0.406SS*.THydrogen-bonded Turncis-83-0.68.134.1-36.4000115.6V149P147-V149 HydrophobicContact CB-CG2 4.43Å; P147-V149 HydrophobicContact CG-CB 4.21Å; P147-V149 HydrophobicContact CG-CG2 4.26Å
148G91.3Very high93.2Very high0 Ų071 Ų710%040%0.4CS..  trans83.711.3-174.100000114.2R144 N156 A157R144-G148 VanDerWaalsContact O-CA 3.24Å; R144-G148 WeakPolarHBondContact O-CA 3.39Å; R144-G148 PolarHBondContact O-N 3.28Å; G148-N156 PolarHBondContact O-OD1 3.23Å; G148-A157 PolarHBondContact O-N 3.17Å
149V94.3Very high93.2Very high56 Ų5663.7 Ų63.734%0.33937%0.373SS..BIsolated β-bridgetrans-103.1130.6179.5-178.10000109.8P147 L151 G154P147-V149 HydrophobicContact CB-CG2 4.43Å; P147-V149 HydrophobicContact CG-CB 4.21Å; P147-V149 HydrophobicContact CG-CG2 4.26Å; V149-L151 PolarHBondContact O-N 3.41Å; V149-G154 WeakPolarHBondContact CG1-O 3Å
150C95.7Very high93.1Very high4 Ų461.7 Ų61.73%0.02736%0.36CS..  trans-67.1126.2179-179.10000111.2C136 C139 V143 S152 G154 E155C136-C150 HydrophobicContact CB-CB 3.87Å; C136-C150 VanDerWaalsContact SG-CB 3.55Å; C139-C150 VanDerWaalsContact SG-SG 3.62Å; V143-C150 HydrophobicContact CG2-CB 3.86Å; C150-S152 VanDerWaalsContact C-N 3.29Å; C150-S152 PolarHBondContact O-N 3.08Å; C150-S152 PolarHBondContact SG-N 3.4Å; C150-S152 VanDerWaalsContact SG-N 3.43Å; C150-G154 VanDerWaalsContact O-CA 3.24Å; C150-G154 WeakPolarHBondContact O-CA 3.45Å; C150-G154 PolarHBondContact O-N 3.43Å; C150-E155 WeakPolarHBondContact CB-O 3.46Å; C150-E155 PolarHBondContact N-O 3.42Å
151L95.5Very high92.9Very high162 Ų16263 Ų6385%0.84836%0.356SS*.THydrogen-bonded Turntrans-69.6-26178.1-64.1176.1000113.1V149V149-L151 PolarHBondContact O-N 3.41Å
152S95.6Very high92.8Very high95 Ų9568.8 Ų68.866%0.66438%0.376SS*.THydrogen-bonded Turntrans-81.8-34.9-177-51.10000113.4C150C150-S152 VanDerWaalsContact C-N 3.29Å; C150-S152 PolarHBondContact O-N 3.08Å; C150-S152 PolarHBondContact SG-N 3.4Å; C150-S152 VanDerWaalsContact SG-N 3.43Å
153C96.8Very high92.8Very high42 Ų4266.1 Ų66.128%0.28436%0.362SS..THydrogen-bonded Turntrans-135.71.6-173.775.80000115.2C136 E155C136-C153 PolarHBondContact SG-SG 3.01Å; C153-E155 PolarHBondContact O-N 3.09Å; C153-E155 VanDerWaalsContact SG-CB 3.57Å
154G94.9Very high92.8Very high52 Ų5274.3 Ų74.354%0.53639%0.392SS..  trans73.92.5178.400000115.8V149 C150V149-G154 WeakPolarHBondContact CG1-O 3Å; C150-G154 VanDerWaalsContact O-CA 3.24Å; C150-G154 WeakPolarHBondContact O-CA 3.45Å; C150-G154 PolarHBondContact O-N 3.43Å
155E94.6Very high93Very high37 Ų3766.3 Ų66.317%0.17337%0.367CS..  trans-71.6138.5-178.5-16571.7-132.800111.2P137 R138 C150 C153 A157 Q159P137-E155 HydrophobicContact CG-CG 3.93Å; R138-E155 HydrophobicContact CB-CB 4.2Å; R138-E155 HydrophobicContact CB-CG 4.13Å; R138-E155 WeakPolarHBondContact CD-OE2 3.49Å; C150-E155 WeakPolarHBondContact CB-O 3.46Å; C150-E155 PolarHBondContact N-O 3.42Å; C153-E155 PolarHBondContact O-N 3.09Å; C153-E155 VanDerWaalsContact SG-CB 3.57Å; E155-A157 PolarHBondContact O-N 3.26Å; E155-Q159 PolarHBondContact OE1-NE2 2.91Å; E155-Q159 PolarHBondContact OE1-OE1 3.26Å
156N93.9Very high93.4Very high28 Ų2865.3 Ų65.315%0.1536%0.356CS..BIsolated β-bridgetrans-79.9113.4174.4-167.6-34.6000109.9G148 L158 Q159 I166G148-N156 PolarHBondContact O-OD1 3.23Å; N156-L158 PolarHBondContact O-N 3.38Å; N156-L158 WeakPolarHBondContact OD1-CA 2.93Å; N156-L158 VanDerWaalsContact OD1-CB 3.31Å; N156-L158 WeakPolarHBondContact OD1-CB 3.42Å; N156-L158 PolarHBondContact OD1-N 3.36Å; N156-Q159 WeakPolarHBondContact O-CB 3.4Å; N156-Q159 WeakPolarHBondContact O-CG 2.94Å; N156-Q159 PolarHBondContact O-N 2.92Å; N156-I166 HydrophobicContact CB-CD1 3.93Å; N156-I166 HydrophobicContact CB-CG1 4.47Å
157A92.7Very high93.7Very high5 Ų559.9 Ų59.94%0.04133%0.331CS..THydrogen-bonded Turntrans-76-12-178.900000113.6L134 V143 G148 E155 Q159L134-A157 HydrophobicContact CD1-CB 3.89Å; L134-A157 HydrophobicContact CD2-CB 3.73Å; L134-A157 HydrophobicContact CG-CB 3.58Å; V143-A157 HydrophobicContact CB-CB 4.04Å; V143-A157 HydrophobicContact CG1-CB 4.01Å; V143-A157 HydrophobicContact CG2-CB 3.94Å; G148-A157 PolarHBondContact O-N 3.17Å; E155-A157 PolarHBondContact O-N 3.26Å; A157-Q159 VanDerWaalsContact C-N 3.31Å
158L91.5Very high93.6Very high48 Ų4864.3 Ų64.325%0.25134%0.337SS..THydrogen-bonded Turntrans-86.70.2174.2-57175.3000113.1L134 N156 R171L134-L158 HydrophobicContact CD1-CD2 4.14Å; L134-L158 HydrophobicContact CD2-CD2 3.74Å; L134-L158 HydrophobicContact CD2-CG 4.21Å; N156-L158 PolarHBondContact O-N 3.38Å; N156-L158 WeakPolarHBondContact OD1-CA 2.93Å; N156-L158 VanDerWaalsContact OD1-CB 3.31Å; N156-L158 WeakPolarHBondContact OD1-CB 3.42Å; N156-L158 PolarHBondContact OD1-N 3.36Å; L158-R171 HydrophobicContact CD1-CB 4.3Å; L158-R171 HydrophobicContact CD1-CG 4.22Å
159Q93.1Very high93.6Very high22 Ų2272 Ų7210%0.10338%0.378CS..SBendtrans-71.1151.3177.378.7-172.6-6.800112E155 N156 A157 H161 I166E155-Q159 PolarHBondContact OE1-NE2 2.91Å; E155-Q159 PolarHBondContact OE1-OE1 3.26Å; N156-Q159 WeakPolarHBondContact O-CB 3.4Å; N156-Q159 WeakPolarHBondContact O-CG 2.94Å; N156-Q159 PolarHBondContact O-N 2.92Å; A157-Q159 VanDerWaalsContact C-N 3.31Å; Q159-H161 PolarHBondContact O-N 2.89Å; Q159-I166 HydrophobicContact CB-CG1 3.81Å
160C94.4Very high93.3Very high16 Ų1672.5 Ų72.511%0.10838%0.377CS..  trans-60125.5173.8177.20000111.2K162 R164 A165 C176 C179C160-K162 PolarHBondContact O-N 3.35Å; C160-K162 VanDerWaalsContact O-N 3.12Å; C160-K162 PolarHBondContact SG-N 3.16Å; C160-K162 VanDerWaalsContact SG-N 3.44Å; C160-R164 WeakPolarHBondContact O-CA 3.31Å; C160-R164 PolarHBondContact O-N 3.36Å; C160-A165 PolarHBondContact N-O 2.92Å; C160-C176 HydrophobicContact CB-CB 4.13Å; C160-C176 VanDerWaalsContact SG-CB 3.6Å; C160-C176 VanDerWaalsContact SG-SG 3.62Å; C160-C179 VanDerWaalsContact SG-SG 3.65Å
161H89.8Confident92.7Very high115 Ų11578.3 Ų78.353%0.53240%0.398SS..THydrogen-bonded Turntrans-59.8-25178.2-66.1-54.9000114Q159 F181Q159-H161 PolarHBondContact O-N 2.89Å; H161-F181 HydrophobicContact CB-CE1 4.07Å; H161-F181 HydrophobicContact CB-CZ 4.42Å
162K94Very high92.3Very high147 Ų14772.9 Ų72.964%0.63937%0.37SS*.THydrogen-bonded Turntrans-88.1-48.4-178.5-171.7177.5-177.5-177.70113.4C160 F181C160-K162 PolarHBondContact O-N 3.35Å; C160-K162 VanDerWaalsContact O-N 3.12Å; C160-K162 PolarHBondContact SG-N 3.16Å; C160-K162 VanDerWaalsContact SG-N 3.44Å; K162-F181 HydrophobicContact CB-CB 3.81Å; K162-F181 HydrophobicContact CB-CD1 4.35Å; K162-F181 HydrophobicContact CB-CD2 3.96Å; K162-F181 HydrophobicContact CB-CG 3.77Å; K162-F181 HydrophobicContact CD-CB 3.96Å; K162-F181 HydrophobicContact CD-CD2 4.1Å; K162-F181 HydrophobicContact CD-CG 4.34Å
163C96.4Very high92.2Very high51 Ų5169.6 Ų69.635%0.34535%0.346SS..THydrogen-bonded Turntrans-119.23.7-172.175.60000114.6A165 C179C163-A165 PolarHBondContact O-N 3.23Å; C163-A165 VanDerWaalsContact SG-CB 3.53Å; C163-C179 HydrophobicContact CB-CB 3.91Å; C163-C179 PolarHBondContact SG-SG 3.25Å
164R94.4Very high92Very high178 Ų17867.7 Ų67.767%0.67233%0.333SS*.  trans56.612.5-178.7-58.4-176.1175.9169.8-2.8115.8C160C160-R164 WeakPolarHBondContact O-CA 3.31Å; C160-R164 PolarHBondContact O-N 3.36Å
165A95.2Very high92.1Very high27 Ų2765.3 Ų65.322%0.22331%0.308CS..  trans-69.6141173.100000110.6C160 C163 S178C160-A165 PolarHBondContact N-O 2.92Å; C163-A165 PolarHBondContact O-N 3.23Å; C163-A165 VanDerWaalsContact SG-CB 3.53Å; A165-S178 VanDerWaalsContact CB-OG 3.24Å; A165-S178 WeakPolarHBondContact CB-OG 3.06Å
166I92.5Very high92.2Very high55 Ų5564 Ų6428%0.28230%0.303SS..  trans-107.9126.2179.1-57.8163000108.1N156 Q159 Y168N156-I166 HydrophobicContact CB-CD1 3.93Å; N156-I166 HydrophobicContact CB-CG1 4.47Å; Q159-I166 HydrophobicContact CB-CG1 3.81Å; I166-Y168 HydrophobicContact CB-CE2 4.27Å; I166-Y168 HydrophobicContact CG2-CD1 4.24Å; I166-Y168 HydrophobicContact CG2-CE1 3.9Å; I166-Y168 HydrophobicContact CG2-CE2 4.19Å
167N91.6Very high92.3Very high22 Ų2265.6 Ų65.612%0.11831%0.311CS..  trans-95.5108.4172.2-174.4-8000109.5T37 N169 E170T37-N167 WeakPolarHBondContact CG2-ND2 3.42Å; N167-N169 VanDerWaalsContact C-N 3.33Å; N167-N169 WeakPolarHBondContact OD1-CB 3.44Å; N167-N169 PolarHBondContact OD1-N 2.64Å; N167-E170 WeakPolarHBondContact CB-O 3.45Å; N167-E170 PolarHBondContact OD1-N 2.88Å; N167-E170 VanDerWaalsContact OD1-N 3.15Å
168Y88.2Confident92.5Very high189 Ų18968.8 Ų68.874%0.74133%0.334SS*.SBendtrans-77.3-20.3178.5-63.2-78.2000113.2I166I166-Y168 HydrophobicContact CB-CE2 4.27Å; I166-Y168 HydrophobicContact CG2-CD1 4.24Å; I166-Y168 HydrophobicContact CG2-CE1 3.9Å; I166-Y168 HydrophobicContact CG2-CE2 4.19Å
169N90.4Very high92.7Very high161 Ų16168 Ų6886%0.86133%0.331SS*.SBendtrans-82.8-38.8-178-61.8-13.5000111.7N167N167-N169 VanDerWaalsContact C-N 3.33Å; N167-N169 WeakPolarHBondContact OD1-CB 3.44Å; N167-N169 PolarHBondContact OD1-N 2.64Å
170E88.6Confident92.8Very high66 Ų6667.7 Ų67.731%0.30833%0.334SS..  trans-133.6110.9-178.7-169.9175.3174.700109.4T37 N167 D172 P173T37-E170 WeakPolarHBondContact CB-OE2 3.19Å; T37-E170 HydrophobicContact CG2-CB 4.33Å; T37-E170 WeakPolarHBondContact CG2-OE2 3.22Å; T37-E170 PolarHBondContact OG1-OE2 3.28Å; N167-E170 WeakPolarHBondContact CB-O 3.45Å; N167-E170 PolarHBondContact OD1-N 2.88Å; N167-E170 VanDerWaalsContact OD1-N 3.15Å; E170-D172 VanDerWaalsContact C-N 3.34Å; E170-D172 PolarHBondContact O-N 2.86Å; E170-P173 HydrophobicContact CB-CB 4.43Å; E170-P173 HydrophobicContact CG-CB 4.22Å; E170-P173 WeakPolarHBondContact O-CD 3.41Å
171R83.5Confident92.9Very high126 Ų12670.2 Ų70.248%0.47534%0.344SS..SBendtrans-72.5-24.7-174.7-65.7-171.6-176.7169.77.4113.9Q146 L158 P173Q146-R171 VanDerWaalsContact NE2-NH2 3.11Å; Q146-R171 VanDerWaalsContact OE1-NH1 3.16Å; L158-R171 HydrophobicContact CD1-CB 4.3Å; L158-R171 HydrophobicContact CD1-CG 4.22Å; R171-P173 VanDerWaalsContact C-CD 3.46Å
172D86.6Confident93.2Very high48 Ų4865.2 Ų65.226%0.25732%0.322SS..SBendtrans-128.561.3-179.7-166.3-6.1000111.5K63 E170 K183 Y184K63-D172 IonicContact NZ-OD2 2.79Å; K63-D172 PolarHBondContact NZ-OD2 3.19Å; E170-D172 VanDerWaalsContact C-N 3.34Å; E170-D172 PolarHBondContact O-N 2.86Å; D172-K183 VanDerWaalsContact CG-NZ 3.27Å; D172-K183 WeakPolarHBondContact OD1-CE 3.17Å; D172-K183 IonicContact OD1-NZ 2.61Å; D172-K183 PolarHBondContact OD1-NZ 3.48Å; D172-K183 IonicContact OD2-NZ 3.44Å; D172-K183 PolarHBondContact OD2-NZ 3.36Å; D172-Y184 PolarHBondContact OD1-OH 3.14Å; D172-Y184 PolarHBondContact OD2-OH 3.4Å
173P92.4Very high93Very high26 Ų2661.2 Ų61.217%0.16930%0.304CS..  trans-73.2144.7-174.934.1-34.6000110.2T37 E170 R171 L175T37-P173 HydrophobicContact CG2-CB 3.56Å; E170-P173 HydrophobicContact CB-CB 4.43Å; E170-P173 HydrophobicContact CG-CB 4.22Å; E170-P173 WeakPolarHBondContact O-CD 3.41Å; R171-P173 VanDerWaalsContact C-CD 3.46Å; P173-L175 WeakPolarHBondContact CB-O 3.42Å
174F94.3Very high92.8Very high2 Ų259.1 Ų59.11%0.00929%0.289CS..SBendtrans-66.3-41.3176.4-175.8-104.8000111.4T37 K64 F122 F125 C182 Y184 F187T37-F174 WeakPolarHBondContact O-CB 3.45Å; T37-F174 PolarHBondContact O-N 2.94Å; K64-F174 HydrophobicContact CD-CD2 4.4Å; F122-F174 HydrophobicContact CB-CD1 4.16Å; F122-F174 HydrophobicContact CB-CE1 4.03Å; F122-F174 AromaticContact CD1-CE1 3.72Å; F122-F174 HydrophobicContact CD1-CE1 3.72Å; F122-F174 HydrophobicContact CD1-CZ 4.34Å; F122-F174 HydrophobicContact CD2-CD1 4.09Å; F122-F174 AromaticContact CD2-CE1 3.85Å; F122-F174 HydrophobicContact CD2-CE1 3.85Å; F122-F174 HydrophobicContact CE1-CE1 4.11Å; F122-F174 HydrophobicContact CE2-CE1 4.24Å; F122-F174 HydrophobicContact CG-CD1 4.04Å; F122-F174 AromaticContact CG-CE1 3.59Å; F122-F174 HydrophobicContact CG-CE1 3.59Å; F122-F174 HydrophobicContact CZ-CE1 4.35Å; F125-F174 AromaticContact CD1-CD2 3.82Å; F125-F174 HydrophobicContact CD1-CD2 3.82Å; F125-F174 AromaticContact CD1-CE2 3.88Å; F125-F174 HydrophobicContact CD1-CE2 3.88Å; F125-F174 HydrophobicContact CD1-CG 4.25Å; F125-F174 HydrophobicContact CD1-CZ 4.36Å; F125-F174 HydrophobicContact CE1-CB 3.94Å; F125-F174 AromaticContact CE1-CD1 3.59Å; F125-F174 HydrophobicContact CE1-CD1 3.59Å; F125-F174 AromaticContact CE1-CD2 3.37Å; F125-F174 HydrophobicContact CE1-CD2 3.37Å; F125-F174 AromaticContact CE1-CE1 3.83Å; F125-F174 HydrophobicContact CE1-CE1 3.83Å; F125-F174 AromaticContact CE1-CE2 3.61Å; F125-F174 HydrophobicContact CE1-CE2 3.61Å; F125-F174 AromaticContact CE1-CG 3.34Å; F125-F174 HydrophobicContact CE1-CG 3.34Å; F125-F174 AromaticContact CE1-CZ 3.82Å; F125-F174 HydrophobicContact CE1-CZ 3.82Å; F125-F174 HydrophobicContact CZ-CB 3.89Å; F125-F174 HydrophobicContact CZ-CD1 4Å; F125-F174 HydrophobicContact CZ-CD2 4.19Å; F125-F174 AromaticContact CZ-CG 3.78Å; F125-F174 HydrophobicContact CZ-CG 3.78Å; F174-C182 WeakPolarHBondContact O-CA 3.42Å; F174-C182 WeakPolarHBondContact O-CB 3.44Å; F174-C182 PolarHBondContact O-SG 3.2Å; F174-Y184 AromaticContact CD2-CD2 3.53Å; F174-Y184 HydrophobicContact CD2-CD2 3.53Å; F174-Y184 HydrophobicContact CD2-CE2 4.18Å; F174-Y184 HydrophobicContact CD2-CG 4.33Å; F174-Y184 AromaticContact CE2-CD2 3.99Å; F174-Y184 HydrophobicContact CE2-CD2 3.99Å; F174-Y184 HydrophobicContact CE2-CG 4.37Å; F174-Y184 HydrophobicContact CG-CD2 4.44Å; F174-F187 HydrophobicContact CE1-CE2 4.06Å; F174-F187 AromaticContact CE1-CZ 3.98Å; F174-F187 HydrophobicContact CE1-CZ 3.98Å; F174-F187 HydrophobicContact CZ-CE1 4.39Å; F174-F187 AromaticContact CZ-CE2 3.88Å; F174-F187 HydrophobicContact CZ-CE2 3.88Å; F174-F187 AromaticContact CZ-CZ 3.49Å; F174-F187 HydrophobicContact CZ-CZ 3.49Å; F174-F187 VanDerWaalsContact CZ-CZ 3.49Å
175L96.5Very high92.7Very high2 Ų250.9 Ų50.91%0.0126%0.26CS..SBendtrans-117.9144.3172.4-63.9166.5000110.9T36 T37 I40 F122 P173 N177 G180 F181 C182T36-L175 VanDerWaalsContact O-CB 3.32Å; T36-L175 WeakPolarHBondContact O-CB 3.3Å; T37-L175 WeakPolarHBondContact CA-O 3.28Å; T37-L175 PolarHBondContact O-N 3.33Å; I40-L175 HydrophobicContact CG1-CD1 3.92Å; F122-L175 HydrophobicContact CD2-CD1 3.87Å; F122-L175 HydrophobicContact CE2-CD1 3.82Å; F122-L175 HydrophobicContact CE2-CD2 4.49Å; P173-L175 WeakPolarHBondContact CB-O 3.42Å; L175-N177 PolarHBondContact O-N 3.15Å; L175-G180 VanDerWaalsContact CD2-O 3.32Å; L175-G180 WeakPolarHBondContact CD2-O 3.16Å; L175-F181 CarbonylContact C-O 3.56Å; L175-F181 WeakPolarHBondContact CA-O 3.38Å; L175-C182 HydrophobicContact CD2-CB 3.8Å
176C96.7Very high92.7Very high9 Ų954.2 Ų54.26%0.06127%0.269CS..  trans-66.5120.8164.3177.30000109.6F35 C160 S178 C179 G180 F181F35-C176 WeakPolarHBondContact CB-O 3.45Å; C160-C176 HydrophobicContact CB-CB 4.13Å; C160-C176 VanDerWaalsContact SG-CB 3.6Å; C160-C176 VanDerWaalsContact SG-SG 3.62Å; C176-S178 PolarHBondContact O-N 3.03Å; C176-S178 PolarHBondContact SG-N 3.46Å; C176-S178 VanDerWaalsContact SG-N 3.45Å; C176-C179 PolarHBondContact O-N 2.9Å; C176-C179 VanDerWaalsContact SG-SG 3.68Å; C176-G180 VanDerWaalsContact O-CA 3.29Å; C176-G180 WeakPolarHBondContact O-CA 3.05Å; C176-G180 PolarHBondContact O-N 3.47Å; C176-F181 HydrophobicContact CB-CB 4.31Å; C176-F181 PolarHBondContact N-O 3.22Å
177N95.5Very high92.8Very high62 Ų6253.2 Ų53.233%0.33226%0.263SS..THydrogen-bonded Turntrans-62.9-18.217763.5-13.8000113.8F35 L175F35-N177 VanDerWaalsContact O-O 3.1Å; L175-N177 PolarHBondContact O-N 3.15Å
178S95.9Very high93.1Very high73 Ų7355.7 Ų55.751%0.5128%0.276SS..THydrogen-bonded Turntrans-90-42.9177.7-49.60000113.6A165 C176A165-S178 VanDerWaalsContact CB-OG 3.24Å; A165-S178 WeakPolarHBondContact CB-OG 3.06Å; C176-S178 PolarHBondContact O-N 3.03Å; C176-S178 PolarHBondContact SG-N 3.46Å; C176-S178 VanDerWaalsContact SG-N 3.45Å
179C96.5Very high93.6Very high30 Ų3047.6 Ų47.620%0.20325%0.245CC..THydrogen-bonded Turntrans-126-1.3-172.173.10000115.6C160 C163 C176 F181C160-C179 VanDerWaalsContact SG-SG 3.65Å; C163-C179 HydrophobicContact CB-CB 3.91Å; C163-C179 PolarHBondContact SG-SG 3.25Å; C176-C179 PolarHBondContact O-N 2.9Å; C176-C179 VanDerWaalsContact SG-SG 3.68Å; C179-F181 PolarHBondContact O-N 3.23Å; C179-F181 VanDerWaalsContact SG-CB 3.57Å
180G96.2Very high94Very high16 Ų1640.7 Ų40.717%0.16521%0.21CC..  trans72.26.6179.600000115.2F35 L175 C176 C182F35-G180 VanDerWaalsContact CG-CA 3.41Å; L175-G180 VanDerWaalsContact CD2-O 3.32Å; L175-G180 WeakPolarHBondContact CD2-O 3.16Å; C176-G180 VanDerWaalsContact O-CA 3.29Å; C176-G180 WeakPolarHBondContact O-CA 3.05Å; C176-G180 PolarHBondContact O-N 3.47Å; G180-C182 PolarHBondContact O-N 3.13Å
181F96.1Very high94.4Very high70 Ų7037.5 Ų37.531%0.30720%0.195SC..  trans-62.5131.6175176.7-102.1000110.7H161 K162 L175 C176 C179 K183H161-F181 HydrophobicContact CB-CE1 4.07Å; H161-F181 HydrophobicContact CB-CZ 4.42Å; K162-F181 HydrophobicContact CB-CB 3.81Å; K162-F181 HydrophobicContact CB-CD1 4.35Å; K162-F181 HydrophobicContact CB-CD2 3.96Å; K162-F181 HydrophobicContact CB-CG 3.77Å; K162-F181 HydrophobicContact CD-CB 3.96Å; K162-F181 HydrophobicContact CD-CD2 4.1Å; K162-F181 HydrophobicContact CD-CG 4.34Å; L175-F181 CarbonylContact C-O 3.56Å; L175-F181 WeakPolarHBondContact CA-O 3.38Å; C176-F181 HydrophobicContact CB-CB 4.31Å; C176-F181 PolarHBondContact N-O 3.22Å; C179-F181 PolarHBondContact O-N 3.23Å; C179-F181 VanDerWaalsContact SG-CB 3.57Å; F181-K183 HydrophobicContact CE1-CB 4.06Å
182C94.8Very high95.1Very high10 Ų1035.7 Ų35.77%0.06819%0.189CC..  trans-109.1128171.3177.10000109.1F174 L175 G180 Y184 G185 F187F174-C182 WeakPolarHBondContact O-CA 3.42Å; F174-C182 WeakPolarHBondContact O-CB 3.44Å; F174-C182 PolarHBondContact O-SG 3.2Å; L175-C182 HydrophobicContact CD2-CB 3.8Å; G180-C182 PolarHBondContact O-N 3.13Å; C182-Y184 VanDerWaalsContact C-N 3.25Å; C182-Y184 PolarHBondContact O-N 2.91Å; C182-Y184 PolarHBondContact SG-N 3.3Å; C182-G185 VanDerWaalsContact CB-O 3.28Å; C182-G185 WeakPolarHBondContact CB-O 3.02Å; C182-F187 HydrophobicContact CB-CD2 4.22Å; C182-F187 HydrophobicContact CB-CE2 3.83Å
183K90.9Very high95.6Very high62 Ų6233.4 Ų33.427%0.2718%0.177SC..THydrogen-bonded Turntrans-77-13.6176.868.5177-175.3176.60113.5R61 D172 F181R61-K183 WeakPolarHBondContact CD-O 3.1Å; R61-K183 PolarHBondContact NE-O 3.43Å; D172-K183 VanDerWaalsContact CG-NZ 3.27Å; D172-K183 WeakPolarHBondContact OD1-CE 3.17Å; D172-K183 IonicContact OD1-NZ 2.61Å; D172-K183 PolarHBondContact OD1-NZ 3.48Å; D172-K183 IonicContact OD2-NZ 3.44Å; D172-K183 PolarHBondContact OD2-NZ 3.36Å; F181-K183 HydrophobicContact CE1-CB 4.06Å
184Y91.6Very high95.6Very high7 Ų735.1 Ų35.13%0.02718%0.18CC..THydrogen-bonded Turntrans-94.5-12.4-175.1-59.1-68.5000114.1T60 R61 K63 K64 D172 F174 C182T60-Y184 WeakPolarHBondContact CA-O 3.42Å; R61-Y184 PolarHBondContact N-O 3.39Å; K63-Y184 HydrophobicContact CB-CE1 4.12Å; K63-Y184 HydrophobicContact CD-CE1 4.06Å; K63-Y184 HydrophobicContact CG-CE1 4.18Å; K64-Y184 HydrophobicContact CB-CD1 3.71Å; K64-Y184 HydrophobicContact CB-CD2 4.32Å; K64-Y184 HydrophobicContact CB-CE1 3.65Å; K64-Y184 HydrophobicContact CB-CE2 4.29Å; K64-Y184 HydrophobicContact CB-CG 4.02Å; K64-Y184 HydrophobicContact CD-CD2 4.46Å; K64-Y184 HydrophobicContact CD-CE2 3.98Å; K64-Y184 WeakPolarHBondContact O-CB 3.22Å; D172-Y184 PolarHBondContact OD1-OH 3.14Å; D172-Y184 PolarHBondContact OD2-OH 3.4Å; F174-Y184 AromaticContact CD2-CD2 3.53Å; F174-Y184 HydrophobicContact CD2-CD2 3.53Å; F174-Y184 HydrophobicContact CD2-CE2 4.18Å; F174-Y184 HydrophobicContact CD2-CG 4.33Å; F174-Y184 AromaticContact CE2-CD2 3.99Å; F174-Y184 HydrophobicContact CE2-CD2 3.99Å; F174-Y184 HydrophobicContact CE2-CG 4.37Å; F174-Y184 HydrophobicContact CG-CD2 4.44Å; C182-Y184 VanDerWaalsContact C-N 3.25Å; C182-Y184 PolarHBondContact O-N 2.91Å; C182-Y184 PolarHBondContact SG-N 3.3Å
185G92.9Very high95.4Very high6 Ų641.4 Ų41.46%0.06220%0.203CC..  trans168.2172.6178.500000112S58 E59 C182 F187S58-G185 CarbonylContact O-C 3.58Å; S58-G185 WeakPolarHBondContact O-CA 3.3Å; E59-G185 WeakPolarHBondContact O-CA 3.16Å; C182-G185 VanDerWaalsContact CB-O 3.28Å; C182-G185 WeakPolarHBondContact CB-O 3.02Å; G185-F187 WeakPolarHBondContact O-CE2 3.06Å
186K95Very high94.9Very high97 Ų9741.6 Ų41.642%0.42221%0.205SC..EExtended strand (participates in β ladder)trans-110.3133177.1178.4-179177-174.60110I57 S58 D188I57-K186 WeakPolarHBondContact CA-O 3.29Å; S58-K186 PolarHBondContact N-O 3.43Å; S58-K186 PolarHBondContact O-N 3.11Å; K186-D188 WeakPolarHBondContact CE-OD2 3.34Å
187F95.8Very high94.1Very high33 Ų3341.9 Ų41.915%0.14521%0.207CC..EExtended strand (participates in β ladder)trans-117.5111.6-174.9-58.1-90.1000109.9L55 I57 V66 F122 F174 C182 G185 F189L55-F187 HydrophobicContact CD1-CB 3.85Å; L55-F187 HydrophobicContact CD1-CD1 3.81Å; L55-F187 HydrophobicContact CD1-CG 4.33Å; L55-F187 HydrophobicContact CD2-CD1 4.28Å; I57-F187 HydrophobicContact CD1-CE1 4.15Å; I57-F187 HydrophobicContact CG1-CD1 4.1Å; I57-F187 HydrophobicContact CG1-CE1 4.11Å; I57-F187 HydrophobicContact CG2-CD1 4.35Å; I57-F187 HydrophobicContact CG2-CE1 3.91Å; I57-F187 HydrophobicContact CG2-CZ 4.34Å; V66-F187 HydrophobicContact CG1-CE1 4.24Å; F122-F187 AromaticContact CE1-CD1 3.68Å; F122-F187 HydrophobicContact CE1-CD1 3.68Å; F122-F187 AromaticContact CE1-CE1 3.72Å; F122-F187 HydrophobicContact CE1-CE1 3.72Å; F122-F187 HydrophobicContact CE1-CG 4.21Å; F122-F187 HydrophobicContact CE1-CZ 4.29Å; F122-F187 HydrophobicContact CZ-CB 4.48Å; F122-F187 AromaticContact CZ-CD1 3.89Å; F122-F187 HydrophobicContact CZ-CD1 3.89Å; F122-F187 HydrophobicContact CZ-CD2 4.33Å; F122-F187 HydrophobicContact CZ-CE1 4.28Å; F122-F187 AromaticContact CZ-CG 3.95Å; F122-F187 HydrophobicContact CZ-CG 3.95Å; F174-F187 HydrophobicContact CE1-CE2 4.06Å; F174-F187 AromaticContact CE1-CZ 3.98Å; F174-F187 HydrophobicContact CE1-CZ 3.98Å; F174-F187 HydrophobicContact CZ-CE1 4.39Å; F174-F187 AromaticContact CZ-CE2 3.88Å; F174-F187 HydrophobicContact CZ-CE2 3.88Å; F174-F187 AromaticContact CZ-CZ 3.49Å; F174-F187 HydrophobicContact CZ-CZ 3.49Å; F174-F187 VanDerWaalsContact CZ-CZ 3.49Å; C182-F187 HydrophobicContact CB-CD2 4.22Å; C182-F187 HydrophobicContact CB-CE2 3.83Å; G185-F187 WeakPolarHBondContact O-CE2 3.06Å; F187-F189 HydrophobicContact CB-CE2 3.79Å; F187-F189 HydrophobicContact CB-CZ 4.06Å
188D97Very high93.2Very high75 Ų7540.5 Ų40.540%0.40121%0.207SC..EExtended strand (participates in β ladder)trans-109.4124.1177.3-70-63.1000109.6R56 K186R56-D188 HydrophobicContact CB-CB 4.38Å; R56-D188 PolarHBondContact N-O 3.29Å; R56-D188 PolarHBondContact O-N 3.45Å; K186-D188 WeakPolarHBondContact CE-OD2 3.34Å
189F98.1Very high92.1Very high19 Ų1937.3 Ų37.38%0.08319%0.185CC..EExtended strand (participates in β ladder)trans-110.6141.7-176.1-62.3-80.9000112L26 I40 L53 L54 L55 I120 F122 F187L26-F189 HydrophobicContact CB-CB 3.79Å; L26-F189 WeakPolarHBondContact CB-O 3.39Å; L26-F189 HydrophobicContact CD2-CB 3.74Å; L26-F189 HydrophobicContact CD2-CD2 4.19Å; L26-F189 HydrophobicContact CD2-CG 4.18Å; L26-F189 HydrophobicContact CG-CB 4.43Å; L26-F189 PolarHBondContact N-O 3.22Å; I40-F189 HydrophobicContact CD1-CE2 3.72Å; I40-F189 HydrophobicContact CD1-CZ 4.38Å; L53-F189 HydrophobicContact CD2-CD1 3.71Å; L53-F189 HydrophobicContact CD2-CE1 4.16Å; L53-F189 HydrophobicContact CG-CD1 4.5Å; L54-F189 CarbonylContact O-C 3.5Å; L54-F189 WeakPolarHBondContact O-CA 3.41Å; L55-F189 HydrophobicContact CB-CD1 3.99Å; L55-F189 HydrophobicContact CB-CE1 3.9Å; L55-F189 HydrophobicContact CD1-CD1 3.92Å; L55-F189 HydrophobicContact CD1-CE1 3.52Å; L55-F189 HydrophobicContact CD1-CE2 4.37Å; L55-F189 HydrophobicContact CD1-CZ 3.77Å; L55-F189 HydrophobicContact CD2-CE1 4.19Å; L55-F189 HydrophobicContact CG-CD1 4.49Å; L55-F189 HydrophobicContact CG-CE1 4.06Å; I120-F189 HydrophobicContact CD1-CD1 3.72Å; I120-F189 HydrophobicContact CD1-CD2 4.09Å; I120-F189 HydrophobicContact CD1-CE1 3.69Å; I120-F189 HydrophobicContact CD1-CE2 4.11Å; I120-F189 HydrophobicContact CD1-CG 3.89Å; I120-F189 HydrophobicContact CD1-CZ 3.89Å; I120-F189 HydrophobicContact CG2-CE1 3.9Å; I120-F189 HydrophobicContact CG2-CZ 3.83Å; F122-F189 HydrophobicContact CZ-CZ 4.05Å; F187-F189 HydrophobicContact CB-CE2 3.79Å; F187-F189 HydrophobicContact CB-CZ 4.06Å
190A98.3Very high91Very high15 Ų1540.8 Ų40.812%0.12420%0.201CC..EExtended strand (participates in β ladder)trans-132.6145.6167.300000110.5L23 I24 L54L23-A190 HydrophobicContact CD1-CB 3.72Å; L23-A190 HydrophobicContact CG-CB 4.05Å; I24-A190 CarbonylContact O-C 3.53Å; I24-A190 VanDerWaalsContact O-CA 3.3Å; I24-A190 WeakPolarHBondContact O-CA 3.28Å; L54-A190 HydrophobicContact CB-CB 4.43Å; L54-A190 PolarHBondContact N-O 2.88Å; L54-A190 PolarHBondContact O-N 3.48Å
191L98.3Very high89.9Confident0 Ų041.1 Ų41.10%020%0.198CC..EExtended strand (participates in β ladder)trans-109.1131.4178.8-55.5-176.1000108.8L23 I24 L26 L29 L44 I50 L53 L118 C193L23-L191 WeakPolarHBondContact CA-O 3Å; I24-L191 PolarHBondContact N-O 2.87Å; I24-L191 PolarHBondContact O-N 3.38Å; L26-L191 HydrophobicContact CD1-CD1 4.05Å; L26-L191 HydrophobicContact CD1-CG 4.4Å; L29-L191 HydrophobicContact CD1-CB 4.25Å; L29-L191 HydrophobicContact CD1-CD1 3.78Å; L29-L191 HydrophobicContact CD1-CG 4.32Å; L44-L191 HydrophobicContact CD2-CD1 4.45Å; I50-L191 HydrophobicContact CD1-CD1 3.92Å; I50-L191 HydrophobicContact CG1-CD1 4.22Å; I50-L191 HydrophobicContact CG2-CD2 4.4Å; L53-L191 HydrophobicContact CB-CD2 4.13Å; L53-L191 HydrophobicContact CD1-CD2 3.73Å; L53-L191 HydrophobicContact CG-CD2 3.79Å; L118-L191 HydrophobicContact CD1-CD1 3.61Å; L118-L191 HydrophobicContact CD1-CD2 4.01Å; L118-L191 HydrophobicContact CD1-CG 4.46Å; L191-C193 HydrophobicContact CB-CB 4.24Å; L191-C193 PolarHBondContact O-N 2.9Å
192Y98Very high89.1Confident87 Ų8738 Ų3834%0.34119%0.185SC..EExtended strand (participates in β ladder)trans-87.6101.3163.2-170.9-113.5000107.5M21 A22 L23 A51 K52M21-Y192 HydrophobicContact CB-CD1 4.07Å; M21-Y192 HydrophobicContact CB-CD2 4.44Å; M21-Y192 HydrophobicContact CB-CE1 3.55Å; M21-Y192 HydrophobicContact CB-CE2 3.96Å; M21-Y192 HydrophobicContact CB-CG 4.48Å; M21-Y192 VanDerWaalsContact CB-CZ 3.48Å; M21-Y192 HydrophobicContact CG-CE1 4.36Å; M21-Y192 VanDerWaalsContact O-CE2 3.28Å; M21-Y192 WeakPolarHBondContact O-CE2 3.46Å; M21-Y192 PolarHBondContact O-OH 2.88Å; M21-Y192 HydrophobicContact SD-CD1 4.09Å; M21-Y192 HydrophobicContact SD-CE1 3.94Å; A22-Y192 WeakPolarHBondContact O-CA 3.09Å; L23-Y192 HydrophobicContact CB-CD2 4.42Å; A51-Y192 HydrophobicContact CB-CD1 4.13Å; A51-Y192 PolarHBondContact N-O 3.39Å; K52-Y192 HydrophobicContact CD-CD1 4.1Å; K52-Y192 HydrophobicContact CD-CG 4.39Å; K52-Y192 HydrophobicContact CG-CD1 4.13Å; K52-Y192 HydrophobicContact CG-CG 4.49Å; K52-Y192 PolarHBondContact N-O 2.86Å; K52-Y192 PolarHBondContact O-N 3.1Å
193C96.2Very high88.3Confident1 Ų141.9 Ų41.91%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-153.3167.5-16964.70000112.8A22 C48 E49 I50 L191A22-C193 PolarHBondContact N-O 3.34Å; A22-C193 PolarHBondContact O-N 3.28Å; A22-C193 VanDerWaalsContact O-O 3.11Å; C48-C193 HydrophobicContact CB-CB 4.3Å; E49-C193 WeakPolarHBondContact O-CA 3.48Å; E49-C193 WeakPolarHBondContact O-CB 3.3Å; I50-C193 HydrophobicContact CB-CB 4.4Å; I50-C193 HydrophobicContact CG1-CB 3.9Å; L191-C193 HydrophobicContact CB-CB 4.24Å; L191-C193 PolarHBondContact O-N 2.9Å
194R92.8Very high88Confident61 Ų6142.1 Ų42.123%0.2321%0.212CC..EExtended strand (participates in β ladder)trans-125154.1164.162.7-178.2168.8-161.30.4110V17 S19 M21 C48 E49 V196V17-R194 VanDerWaalsContact O-CZ 3.3Å; V17-R194 PolarHBondContact O-NH1 3.48Å; S19-R194 WeakPolarHBondContact O-CD 3.27Å; M21-R194 HydrophobicContact CG-CB 4.26Å; M21-R194 HydrophobicContact CG-CG 4.21Å; C48-R194 CarbonylContact C-O 3.55Å; C48-R194 VanDerWaalsContact CA-O 3.27Å; C48-R194 WeakPolarHBondContact CA-O 3.15Å; E49-R194 HydrophobicContact CB-CG 4.13Å; E49-R194 PolarHBondContact N-O 3.12Å; E49-R194 PolarHBondContact O-N 3.25Å; E49-R194 VanDerWaalsContact O-N 3.13Å; E49-R194 IonicContact OE2-CZ 2.64Å; E49-R194 IonicContact OE2-NE 3.54Å; E49-R194 PolarHBondContact OE2-NE 3.1Å; E49-R194 IonicContact OE2-NH2 3.43Å; E49-R194 PolarHBondContact OE2-NH2 2.92Å; R194-V196 HydrophobicContact CG-CG1 4.09Å
195R90.6Very high87.8Confident134 Ų13447 Ų4751%0.50624%0.239SC..EExtended strand (participates in β ladder)trans-73.2146.2169.7-65.4-176.4180171.7-0.4109S46 Y47S46-R195 WeakPolarHBondContact OG-CD 3.48Å; Y47-R195 WeakPolarHBondContact O-CA 3.49Å
196V85.8Confident87.7Confident7 Ų751.1 Ų51.14%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-140.7156.6-179.5-650000109.6Y47 E49 I114 R194Y47-V196 WeakPolarHBondContact CB-O 3.4Å; Y47-V196 PolarHBondContact O-N 3.49Å; E49-V196 HydrophobicContact CB-CG1 3.85Å; I114-V196 HydrophobicContact CB-CG2 4.44Å; I114-V196 HydrophobicContact CD1-CB 4.12Å; I114-V196 HydrophobicContact CD1-CG1 4.21Å; I114-V196 HydrophobicContact CD1-CG2 3.59Å; I114-V196 HydrophobicContact CG1-CG2 3.85Å; I114-V196 HydrophobicContact CG2-CG2 3.74Å; R194-V196 HydrophobicContact CG-CG1 4.09Å
197P80.4Confident87.4Confident15 Ų1549.1 Ų49.110%0.09725%0.252CS..  trans-57.5143.1170.5-26.935.9000111.8A13 E16 V199 M300A13-P197 HydrophobicContact CB-CG 4.09Å; E16-P197 HydrophobicContact CB-CG 4.46Å; E16-P197 WeakPolarHBondContact OE2-CD 3.47Å; E16-P197 WeakPolarHBondContact OE2-CG 3.44Å; P197-V199 WeakPolarHBondContact O-CG2 3.31Å; P197-M300 HydrophobicContact CB-CE 3.8Å; P197-M300 HydrophobicContact CB-SD 3.31Å; P197-M300 WeakPolarHBondContact CB-SD 3.32Å; P197-M300 HydrophobicContact CG-SD 4.17Å
198G76.2Confident87.1Confident33 Ų3352.3 Ų52.334%0.3426%0.263SS..  trans-74128.1178.300000112.7Y47 M300Y47-G198 VanDerWaalsContact CG-CA 3.45Å; G198-M300 WeakPolarHBondContact O-CE 3.49Å
199V73.6Confident86.8Confident6 Ų649.9 Ų49.94%0.03626%0.256CS..  trans-128.7128.1-177.6-155.10000111.6P197 M300 L303 R304P197-V199 WeakPolarHBondContact O-CG2 3.31Å; V199-M300 WeakPolarHBondContact CG1-O 3.42Å; V199-M300 HydrophobicContact CG2-CE 4.16Å; V199-M300 HydrophobicContact CG2-SD 4.18Å; V199-L303 HydrophobicContact CG2-CB 3.81Å; V199-L303 HydrophobicContact CG2-CD1 3.93Å; V199-R304 HydrophobicContact CB-CG 4.45Å; V199-R304 HydrophobicContact CG1-CB 3.7Å; V199-R304 HydrophobicContact CG1-CG 3.33Å
200D72Confident86.6Confident103 Ų10354.5 Ų54.555%0.55128%0.276SS*.PPolyproline II helixtrans-61.7139.6179.5-67-35.5000112.3R304D200-R304 WeakPolarHBondContact O-CD 3.48Å; D200-R304 WeakPolarHBondContact O-CG 3.23Å; D200-R304 PolarHBondContact O-NE 3.34Å
201Q72.6Confident86.2Confident23 Ų2353.9 Ų53.911%0.10727%0.271CS..PPolyproline II helixtrans-64.8135.9178.3-77.6-172.252.100112.4N75 H76 T203N75-Q201 VanDerWaalsContact C-NE2 3.26Å; N75-Q201 WeakPolarHBondContact ND2-CG 3.46Å; N75-Q201 WeakPolarHBondContact OD1-CG 3.28Å; N75-Q201 PolarHBondContact OD1-NE2 2.96Å; H76-Q201 PolarHBondContact CD2-NE2 3.27Å; H76-Q201 PolarHBondContact CE1-NE2 3.38Å; H76-Q201 PolarHBondContact ND1-NE2 2.86Å; H76-Q201 PolarHBondContact NE2-NE2 3.31Å; H76-Q201 VanDerWaalsContact NE2-NE2 3.11Å; H76-Q201 PolarHBondContact NE2-OE1 3.05Å; Q201-T203 HydrophobicContact CB-CG2 4.36Å
202I80.6Confident85.9Confident4 Ų455.2 Ų55.22%0.02128%0.279CS..PPolyproline II helixtrans-81.5120.3160.4-64.8171.9000107.7N204 E207 W208 R304 L305 R311I202-N204 WeakPolarHBondContact CG2-O 3.43Å; I202-E207 WeakPolarHBondContact CA-OE2 3.19Å; I202-E207 HydrophobicContact CG2-CB 3.93Å; I202-W208 HydrophobicContact CG2-CB 3.82Å; I202-R304 HydrophobicContact CD1-CB 4.16Å; I202-R304 HydrophobicContact CD1-CG 4.22Å; I202-R304 HydrophobicContact CG1-CG 4.08Å; I202-L305 HydrophobicContact CD1-CD2 3.84Å; I202-L305 HydrophobicContact CD1-CG 4.22Å; I202-R311 VanDerWaalsContact N-NH2 3.15Å; I202-R311 VanDerWaalsContact O-CZ 3.22Å; I202-R311 PolarHBondContact O-NH1 3.46Å; I202-R311 VanDerWaalsContact O-NH1 3.08Å; I202-R311 PolarHBondContact O-NH2 3.07Å
203T77.9Confident85.7Confident92 Ų9257.6 Ų57.656%0.56429%0.293SS*.  trans-105.5-22.9-172.361.40000113.3Q201 E207Q201-T203 HydrophobicContact CB-CG2 4.36Å; T203-E207 PolarHBondContact N-OE2 3.24Å; T203-E207 PolarHBondContact OG1-OE1 2.99Å; T203-E207 PolarHBondContact OG1-OE2 3.44Å; T203-E207 VanDerWaalsContact OG1-OE2 3.06Å
204N84Confident85.6Confident66 Ų6664 Ų6435%0.35332%0.317SS..SBendtrans-141.9172.4-174.959.861.4000111.6I202 D206 E207 W208I202-N204 WeakPolarHBondContact CG2-O 3.43Å; N204-D206 PolarHBondContact OD1-N 3.5Å; N204-E207 PolarHBondContact ND2-OE1 3.29Å; N204-E207 WeakPolarHBondContact OD1-CB 3.44Å; N204-E207 WeakPolarHBondContact OD1-CG 3.27Å; N204-E207 PolarHBondContact OD1-N 3.16Å; N204-W208 PolarHBondContact O-N 3.25Å
205D88Confident85.5Confident111 Ų11164.1 Ų64.159%0.59432%0.321SS*.Hα-helixtrans-71.9-29.8-177.6-74.2-36.3000113.5W208 G209 R312D205-W208 WeakPolarHBondContact O-CB 3.45Å; D205-W208 PolarHBondContact O-N 3.48Å; D205-G209 PolarHBondContact O-N 3.02Å; D205-R312 IonicContact OD1-CZ 2.75Å; D205-R312 IonicContact OD1-NH1 3.65Å; D205-R312 IonicContact OD1-NH2 2.66Å; D205-R312 PolarHBondContact OD1-NH2 3.41Å
206D90.2Very high85.7Confident91 Ų9165.8 Ų65.849%0.48733%0.329SS..Hα-helixtrans-65.1-47.2175.5171.464.6000111.4N204 W208 G209 K210N204-D206 PolarHBondContact OD1-N 3.5Å; D206-W208 VanDerWaalsContact C-N 3.26Å; D206-W208 PolarHBondContact O-N 3.1Å; D206-G209 PolarHBondContact O-N 3.14Å; D206-K210 WeakPolarHBondContact O-CB 3.25Å; D206-K210 WeakPolarHBondContact O-CG 3.41Å; D206-K210 PolarHBondContact O-N 2.75Å; D206-K210 WeakPolarHBondContact OD1-CE 3.41Å; D206-K210 IonicContact OD1-NZ 3.72Å; D206-K210 VanDerWaalsContact OD2-CE 3.23Å; D206-K210 WeakPolarHBondContact OD2-CE 3.45Å; D206-K210 IonicContact OD2-NZ 2.76Å; D206-K210 PolarHBondContact OD2-NZ 2.94Å
207E88.9Confident86.1Confident55 Ų5571.7 Ų71.726%0.25735%0.351SS..Hα-helixtrans-60.4-36.9172.8-77.1176.6-171.200111.9I202 T203 N204 S211I202-E207 WeakPolarHBondContact CA-OE2 3.19Å; I202-E207 HydrophobicContact CG2-CB 3.93Å; T203-E207 PolarHBondContact N-OE2 3.24Å; T203-E207 PolarHBondContact OG1-OE1 2.99Å; T203-E207 PolarHBondContact OG1-OE2 3.44Å; T203-E207 VanDerWaalsContact OG1-OE2 3.06Å; N204-E207 PolarHBondContact ND2-OE1 3.29Å; N204-E207 WeakPolarHBondContact OD1-CB 3.44Å; N204-E207 WeakPolarHBondContact OD1-CG 3.27Å; N204-E207 PolarHBondContact OD1-N 3.16Å; E207-S211 WeakPolarHBondContact O-CB 3.24Å; E207-S211 PolarHBondContact O-N 3.48Å
208W89.5Confident86.6Confident100 Ų10071.6 Ų71.638%0.37935%0.349SS..Hα-helixtrans-63.6-48.1174.7-171.986.7000111I202 N204 D205 D206 K210 S211 V212 L305I202-W208 HydrophobicContact CG2-CB 3.82Å; N204-W208 PolarHBondContact O-N 3.25Å; D205-W208 WeakPolarHBondContact O-CB 3.45Å; D205-W208 PolarHBondContact O-N 3.48Å; D206-W208 VanDerWaalsContact C-N 3.26Å; D206-W208 PolarHBondContact O-N 3.1Å; W208-K210 PolarHBondContact O-N 2.83Å; W208-S211 PolarHBondContact O-N 3.25Å; W208-V212 HydrophobicContact CD2-CG2 4.04Å; W208-V212 HydrophobicContact CE3-CG2 4Å; W208-V212 HydrophobicContact CH2-CG2 3.78Å; W208-V212 HydrophobicContact CZ2-CG2 3.81Å; W208-V212 HydrophobicContact CZ3-CG2 3.87Å; W208-V212 WeakPolarHBondContact O-CG2 3.45Å; W208-V212 PolarHBondContact O-N 2.91Å; W208-L305 HydrophobicContact CD2-CD2 4.43Å; W208-L305 HydrophobicContact CG-CD2 4.15Å
209G91.6Very high87.4Confident25 Ų2572.2 Ų72.226%0.25835%0.346SS..Hα-helixtrans-58.4-45.9175.600000112.6D205 D206 S211 V212 Q213D205-G209 PolarHBondContact O-N 3.02Å; D206-G209 PolarHBondContact O-N 3.14Å; G209-S211 VanDerWaalsContact C-N 3.35Å; G209-S211 PolarHBondContact O-N 2.67Å; G209-V212 PolarHBondContact O-N 3.39Å; G209-Q213 WeakPolarHBondContact O-CG 3.19Å; G209-Q213 PolarHBondContact O-N 2.92Å
210K92.7Very high88.4Confident116 Ų11676.6 Ų76.650%0.50437%0.367SS..Hα-helixtrans-60.5-41.4174.5-74.3170.2178.1165.60112.3D206 W208 R214D206-K210 WeakPolarHBondContact O-CB 3.25Å; D206-K210 WeakPolarHBondContact O-CG 3.41Å; D206-K210 PolarHBondContact O-N 2.75Å; D206-K210 WeakPolarHBondContact OD1-CE 3.41Å; D206-K210 IonicContact OD1-NZ 3.72Å; D206-K210 VanDerWaalsContact OD2-CE 3.23Å; D206-K210 WeakPolarHBondContact OD2-CE 3.45Å; D206-K210 IonicContact OD2-NZ 2.76Å; D206-K210 PolarHBondContact OD2-NZ 2.94Å; W208-K210 PolarHBondContact O-N 2.83Å; K210-R214 WeakPolarHBondContact O-CB 3.47Å; K210-R214 PolarHBondContact O-N 3.34Å
211S90.7Very high89.3Confident2 Ų274.8 Ų74.81%0.01435%0.354CS..Hα-helixtrans-65.1-40.9174.4-92.50000111.8E207 W208 G209 R214 M215 N301E207-S211 WeakPolarHBondContact O-CB 3.24Å; E207-S211 PolarHBondContact O-N 3.48Å; W208-S211 PolarHBondContact O-N 3.25Å; G209-S211 VanDerWaalsContact C-N 3.35Å; G209-S211 PolarHBondContact O-N 2.67Å; S211-R214 PolarHBondContact O-N 3.32Å; S211-M215 PolarHBondContact O-N 3.16Å; S211-N301 WeakPolarHBondContact CB-OD1 3.49Å; S211-N301 PolarHBondContact O-ND2 2.98Å; S211-N301 PolarHBondContact OG-OD1 3.36Å
212V92.1Very high90.2Very high28 Ų2874 Ų7417%0.1735%0.351CS..Hα-helixtrans-63.9-48.8175.6172.40000111.3W208 G209 R214 M215 Y216 L305W208-V212 HydrophobicContact CD2-CG2 4.04Å; W208-V212 HydrophobicContact CE3-CG2 4Å; W208-V212 HydrophobicContact CH2-CG2 3.78Å; W208-V212 HydrophobicContact CZ2-CG2 3.81Å; W208-V212 HydrophobicContact CZ3-CG2 3.87Å; W208-V212 WeakPolarHBondContact O-CG2 3.45Å; W208-V212 PolarHBondContact O-N 2.91Å; G209-V212 PolarHBondContact O-N 3.39Å; V212-R214 VanDerWaalsContact C-N 3.27Å; V212-R214 PolarHBondContact O-N 3.28Å; V212-M215 WeakPolarHBondContact O-CB 3.5Å; V212-M215 PolarHBondContact O-N 2.97Å; V212-Y216 HydrophobicContact CG1-CD2 4.04Å; V212-Y216 HydrophobicContact CG1-CE2 3.6Å; V212-Y216 WeakPolarHBondContact O-CD2 3.45Å; V212-Y216 PolarHBondContact O-N 3.22Å; V212-L305 HydrophobicContact CG2-CD1 4.24Å; V212-L305 HydrophobicContact CG2-CD2 3.77Å
213Q93.8Very high90.7Very high137 Ų13779.6 Ų79.664%0.6438%0.377SS*.Hα-helixtrans-57.8-41.3175.8-72.5174.2-10.200111.9G209 M215 Y216 Y217G209-Q213 WeakPolarHBondContact O-CG 3.19Å; G209-Q213 PolarHBondContact O-N 2.92Å; Q213-M215 VanDerWaalsContact C-N 3.28Å; Q213-M215 PolarHBondContact O-N 3.42Å; Q213-Y216 PolarHBondContact O-N 3.24Å; Q213-Y217 PolarHBondContact O-N 3.38Å
214R93Very high91.3Very high136 Ų13679.2 Ų79.251%0.51337%0.369SS..Hα-helixtrans-61.2-35174.8-174.9176.6-174.4119.8-0.5112.2K210 S211 V212 L218K210-R214 WeakPolarHBondContact O-CB 3.47Å; K210-R214 PolarHBondContact O-N 3.34Å; S211-R214 PolarHBondContact O-N 3.32Å; V212-R214 VanDerWaalsContact C-N 3.27Å; V212-R214 PolarHBondContact O-N 3.28Å; R214-L218 HydrophobicContact CG-CD1 3.99Å; R214-L218 HydrophobicContact CG-CG 4.33Å; R214-L218 WeakPolarHBondContact O-CB 3.38Å; R214-L218 WeakPolarHBondContact O-CD1 3.42Å; R214-L218 WeakPolarHBondContact O-CG 3.38Å; R214-L218 PolarHBondContact O-N 3.08Å
215M91.5Very high91.5Very high63 Ų6376.7 Ų76.731%0.3136%0.357SS..Hα-helixtrans-62.7-48.4173.9-70.7-160.6-56.100111.5S211 V212 Q213 Y217 L218 V219 N301 L305S211-M215 PolarHBondContact O-N 3.16Å; V212-M215 WeakPolarHBondContact O-CB 3.5Å; V212-M215 PolarHBondContact O-N 2.97Å; Q213-M215 VanDerWaalsContact C-N 3.28Å; Q213-M215 PolarHBondContact O-N 3.42Å; M215-Y217 PolarHBondContact O-N 2.74Å; M215-L218 PolarHBondContact O-N 3.38Å; M215-V219 WeakPolarHBondContact O-CG2 3.41Å; M215-V219 PolarHBondContact O-N 2.69Å; M215-N301 WeakPolarHBondContact CG-ND2 3.16Å; M215-N301 PolarHBondContact N-ND2 2.81Å; M215-L305 HydrophobicContact CE-CD1 3.39Å; M215-L305 HydrophobicContact CG-CD1 3.71Å; M215-L305 HydrophobicContact SD-CD1 3.3Å; M215-L305 WeakPolarHBondContact SD-CD1 3.45Å
216Y93.7Very high91.5Very high169 Ų16975.3 Ų75.366%0.66335%0.348SS*.Hα-helixtrans-59.1-47.2178.3-72.6-69.7000111.6V212 Q213 L218 V219 E220V212-Y216 HydrophobicContact CG1-CD2 4.04Å; V212-Y216 HydrophobicContact CG1-CE2 3.6Å; V212-Y216 WeakPolarHBondContact O-CD2 3.45Å; V212-Y216 PolarHBondContact O-N 3.22Å; Q213-Y216 PolarHBondContact O-N 3.24Å; Y216-L218 VanDerWaalsContact C-N 3.33Å; Y216-L218 PolarHBondContact O-N 2.66Å; Y216-V219 WeakPolarHBondContact O-CB 3.49Å; Y216-V219 PolarHBondContact O-N 3.06Å; Y216-V219 VanDerWaalsContact O-N 3.15Å; Y216-E220 PolarHBondContact O-N 3.39Å
217Y94.6Very high91.5Very high131 Ų13175.8 Ų75.851%0.51435%0.348SS..Hα-helixtrans-57.3-43.2175.6173.3-102.6000112.9Q213 M215 E220 K221Q213-Y217 PolarHBondContact O-N 3.38Å; M215-Y217 PolarHBondContact O-N 2.74Å; Y217-E220 PolarHBondContact O-N 3.44Å; Y217-K221 HydrophobicContact CD1-CG 4.49Å; Y217-K221 HydrophobicContact CD2-CG 4.46Å; Y217-K221 HydrophobicContact CE1-CG 4.03Å; Y217-K221 HydrophobicContact CE2-CD 4.4Å; Y217-K221 HydrophobicContact CE2-CG 4.01Å; Y217-K221 WeakPolarHBondContact O-CG 3.35Å; Y217-K221 PolarHBondContact O-N 3.5Å; Y217-K221 VanDerWaalsContact OH-CE 3.31Å; Y217-K221 WeakPolarHBondContact OH-CE 3.45Å
218L92.3Very high91.3Very high12 Ų1275.1 Ų75.16%0.06335%0.352CS..Hα-helixtrans-69.4-31.9178.7-71.4169.3000112.8R214 M215 Y216 A222 I294 A297 R298R214-L218 HydrophobicContact CG-CD1 3.99Å; R214-L218 HydrophobicContact CG-CG 4.33Å; R214-L218 WeakPolarHBondContact O-CB 3.38Å; R214-L218 WeakPolarHBondContact O-CD1 3.42Å; R214-L218 WeakPolarHBondContact O-CG 3.38Å; R214-L218 PolarHBondContact O-N 3.08Å; M215-L218 PolarHBondContact O-N 3.38Å; Y216-L218 VanDerWaalsContact C-N 3.33Å; Y216-L218 PolarHBondContact O-N 2.66Å; L218-A222 WeakPolarHBondContact O-CB 3.31Å; L218-A222 PolarHBondContact O-N 3.4Å; L218-I294 HydrophobicContact CB-CG2 4.26Å; L218-I294 HydrophobicContact CD2-CG2 4.2Å; L218-I294 WeakPolarHBondContact O-CG2 3.45Å; L218-A297 HydrophobicContact CD1-CB 3.91Å; L218-A297 HydrophobicContact CD2-CB 3.89Å; L218-R298 HydrophobicContact CB-CG 3.5Å; L218-R298 VanDerWaalsContact CB-CG 3.5Å; L218-R298 HydrophobicContact CD1-CG 3.89Å; L218-R298 HydrophobicContact CG-CG 4.27Å
219V92Very high91Very high46 Ų4671.5 Ų71.528%0.27934%0.34SS..Hα-helixtrans-64.3-50.1173.2171.20000110M215 Y216 K221 A222 E223M215-V219 WeakPolarHBondContact O-CG2 3.41Å; M215-V219 PolarHBondContact O-N 2.69Å; Y216-V219 WeakPolarHBondContact O-CB 3.49Å; Y216-V219 PolarHBondContact O-N 3.06Å; Y216-V219 VanDerWaalsContact O-N 3.15Å; V219-K221 VanDerWaalsContact C-N 3.3Å; V219-K221 PolarHBondContact O-N 3.19Å; V219-A222 WeakPolarHBondContact O-CA 3.33Å; V219-A222 WeakPolarHBondContact O-CB 3.3Å; V219-A222 PolarHBondContact O-N 3.1Å; V219-E223 PolarHBondContact O-N 3.39Å
220E94.3Very high90.7Very high99 Ų9974 Ų7446%0.46335%0.348SS..Hα-helixtrans-58.3-42.6178.4-167.7-162.7153.400111.7Y216 Y217 A222 E223 Q224Y216-E220 PolarHBondContact O-N 3.39Å; Y217-E220 PolarHBondContact O-N 3.44Å; E220-A222 VanDerWaalsContact C-N 3.33Å; E220-A222 PolarHBondContact O-N 2.91Å; E220-E223 PolarHBondContact O-N 3.09Å; E220-Q224 WeakPolarHBondContact O-CG 3.39Å; E220-Q224 PolarHBondContact O-N 2.83Å; E220-Q224 PolarHBondContact OE1-NE2 3.32Å; E220-Q224 VanDerWaalsContact OE1-NE2 3.13Å
221K92.2Very high90.5Very high64 Ų6470.6 Ų70.628%0.27834%0.335SS..Hα-helixtrans-65.7-34.6175.5-70.7-68169.2-160.90113.1Y217 V219 C225 I294Y217-K221 HydrophobicContact CD1-CG 4.49Å; Y217-K221 HydrophobicContact CD2-CG 4.46Å; Y217-K221 HydrophobicContact CE1-CG 4.03Å; Y217-K221 HydrophobicContact CE2-CD 4.4Å; Y217-K221 HydrophobicContact CE2-CG 4.01Å; Y217-K221 WeakPolarHBondContact O-CG 3.35Å; Y217-K221 PolarHBondContact O-N 3.5Å; Y217-K221 VanDerWaalsContact OH-CE 3.31Å; Y217-K221 WeakPolarHBondContact OH-CE 3.45Å; V219-K221 VanDerWaalsContact C-N 3.3Å; V219-K221 PolarHBondContact O-N 3.19Å; K221-C225 PolarHBondContact O-N 3.05Å; K221-C225 VanDerWaalsContact O-N 3.1Å; K221-C225 PolarHBondContact O-SG 2.91Å; K221-I294 HydrophobicContact CB-CD1 3.76Å; K221-I294 HydrophobicContact CB-CG1 4.35Å
222A90.3Very high90.1Very high6 Ų671.2 Ų71.25%0.0534%0.339CS..Hα-helixtrans-65.3-43.9174.800000110.7L218 V219 E220 Q224 C225 I226 L291 I294L218-A222 WeakPolarHBondContact O-CB 3.31Å; L218-A222 PolarHBondContact O-N 3.4Å; V219-A222 WeakPolarHBondContact O-CA 3.33Å; V219-A222 WeakPolarHBondContact O-CB 3.3Å; V219-A222 PolarHBondContact O-N 3.1Å; E220-A222 VanDerWaalsContact C-N 3.33Å; E220-A222 PolarHBondContact O-N 2.91Å; A222-Q224 PolarHBondContact O-N 3.09Å; A222-C225 PolarHBondContact O-N 2.97Å; A222-I226 VanDerWaalsContact O-CG1 3.3Å; A222-I226 WeakPolarHBondContact O-CG1 3.36Å; A222-I226 PolarHBondContact O-N 2.64Å; A222-L291 HydrophobicContact CB-CD1 3.85Å; A222-I294 HydrophobicContact CB-CG2 3.87Å
223E91.3Very high89.6Confident122 Ų12272.3 Ų72.357%0.5735%0.346SS*.Hα-helixtrans-60.3-43.5176.1-69.5172.2166.600111.7V219 E220 C225 I226 Q227V219-E223 PolarHBondContact O-N 3.39Å; E220-E223 PolarHBondContact O-N 3.09Å; E223-C225 VanDerWaalsContact C-N 3.33Å; E223-C225 PolarHBondContact O-N 2.58Å; E223-I226 PolarHBondContact O-N 2.98Å; E223-Q227 PolarHBondContact O-N 2.8Å
224Q90.8Very high89.3Confident84 Ų8468.1 Ų68.139%0.39333%0.33SS..Hα-helixtrans-59.2-40.9173.9-71169.618.800112.3E220 A222 Q227 A228E220-Q224 WeakPolarHBondContact O-CG 3.39Å; E220-Q224 PolarHBondContact O-N 2.83Å; E220-Q224 PolarHBondContact OE1-NE2 3.32Å; E220-Q224 VanDerWaalsContact OE1-NE2 3.13Å; A222-Q224 PolarHBondContact O-N 3.09Å; Q224-Q227 PolarHBondContact O-N 2.96Å; Q224-A228 WeakPolarHBondContact O-CB 3.33Å; Q224-A228 PolarHBondContact O-N 3.13Å
225C88.6Confident88.8Confident14 Ų1462.8 Ų62.810%0.09531%0.311CS..Hα-helixtrans-69-40.6177-66.20000112K221 A222 E223 Q227 A228 V229 L291 I294K221-C225 PolarHBondContact O-N 3.05Å; K221-C225 VanDerWaalsContact O-N 3.1Å; K221-C225 PolarHBondContact O-SG 2.91Å; A222-C225 PolarHBondContact O-N 2.97Å; E223-C225 VanDerWaalsContact C-N 3.33Å; E223-C225 PolarHBondContact O-N 2.58Å; C225-Q227 VanDerWaalsContact C-N 3.33Å; C225-A228 PolarHBondContact O-N 3.31Å; C225-V229 WeakPolarHBondContact O-CG2 3.35Å; C225-V229 PolarHBondContact O-N 3.36Å; C225-L291 HydrophobicContact CB-CB 4.06Å; C225-L291 HydrophobicContact CB-CD1 4.22Å; C225-I294 VanDerWaalsContact SG-CD1 3.53Å
226I87.7Confident88.4Confident81 Ų8160.6 Ų60.642%0.41530%0.301SS..Hα-helixtrans-61.8-43.9175.6-69.2164.5000110.1A222 E223 A228 V229 N230 L291A222-I226 VanDerWaalsContact O-CG1 3.3Å; A222-I226 WeakPolarHBondContact O-CG1 3.36Å; A222-I226 PolarHBondContact O-N 2.64Å; E223-I226 PolarHBondContact O-N 2.98Å; I226-A228 PolarHBondContact O-N 3.45Å; I226-V229 PolarHBondContact O-N 2.99Å; I226-N230 PolarHBondContact O-N 2.75Å; I226-N230 PolarHBondContact O-ND2 3.42Å; I226-L291 HydrophobicContact CG1-CD1 4.21Å; I226-L291 HydrophobicContact CG1-CD2 4.01Å
227Q90Very high87.9Confident101 Ų10159 Ų5947%0.47230%0.298SS..Hα-helixtrans-62.5-42.3176.2-170.960.537.700111.8E223 Q224 C225 V229 N230 N231E223-Q227 PolarHBondContact O-N 2.8Å; Q224-Q227 PolarHBondContact O-N 2.96Å; C225-Q227 VanDerWaalsContact C-N 3.33Å; Q227-V229 PolarHBondContact O-N 3.4Å; Q227-N230 PolarHBondContact O-N 2.92Å; Q227-N231 PolarHBondContact NE2-OD1 3.45Å; Q227-N231 VanDerWaalsContact O-CG 3.24Å; Q227-N231 PolarHBondContact O-N 2.87Å; Q227-N231 PolarHBondContact O-OD1 2.99Å
228A84.7Confident87.3Confident42 Ų4254.2 Ų54.235%0.34728%0.279SS..Hα-helixtrans-60.4-44175.700000112Q224 C225 I226 N231 S232 A287Q224-A228 WeakPolarHBondContact O-CB 3.33Å; Q224-A228 PolarHBondContact O-N 3.13Å; C225-A228 PolarHBondContact O-N 3.31Å; I226-A228 PolarHBondContact O-N 3.45Å; A228-N231 PolarHBondContact O-N 3.35Å; A228-S232 PolarHBondContact O-N 2.93Å; A228-S232 PolarHBondContact O-OG 3.11Å; A228-A287 HydrophobicContact CB-CB 4.35Å
229V82.5Confident86.8Confident23 Ų2355.2 Ų55.214%0.13928%0.283CS..Hα-helixtrans-61.3-45.7174.3173.80000110.9C225 I226 Q227 N231 S232 V233 A287 M288C225-V229 WeakPolarHBondContact O-CG2 3.35Å; C225-V229 PolarHBondContact O-N 3.36Å; I226-V229 PolarHBondContact O-N 2.99Å; Q227-V229 PolarHBondContact O-N 3.4Å; V229-N231 VanDerWaalsContact C-N 3.32Å; V229-N231 PolarHBondContact O-N 2.79Å; V229-S232 PolarHBondContact O-N 2.78Å; V229-V233 HydrophobicContact CG1-CG2 4.19Å; V229-V233 WeakPolarHBondContact O-CB 3.13Å; V229-V233 VanDerWaalsContact O-CG2 3.3Å; V229-V233 WeakPolarHBondContact O-CG2 3.48Å; V229-V233 PolarHBondContact O-N 2.87Å; V229-A287 HydrophobicContact CG2-CB 3.54Å; V229-M288 HydrophobicContact CG2-CG 4.13Å; V229-M288 HydrophobicContact CG2-SD 4Å
230N86.8Confident86.2Confident78 Ų7857.5 Ų57.542%0.41729%0.292SS..Hα-helixtrans-60.8-40.5178.6-73.7-23.8000112.2I226 Q227 V233 T234I226-N230 PolarHBondContact O-N 2.75Å; I226-N230 PolarHBondContact O-ND2 3.42Å; Q227-N230 PolarHBondContact O-N 2.92Å; N230-V233 PolarHBondContact O-N 3.01Å; N230-T234 WeakPolarHBondContact O-CB 3.24Å; N230-T234 PolarHBondContact O-N 2.95Å; N230-T234 PolarHBondContact O-OG1 2.87Å
231N87.6Confident85.6Confident45 Ų4555.2 Ų55.224%0.24128%0.284CS..Hα-helixtrans-63.8-47.4175.3-68.7-0.2000110.7Q227 A228 V229 V233 T234 L235Q227-N231 PolarHBondContact NE2-OD1 3.45Å; Q227-N231 VanDerWaalsContact O-CG 3.24Å; Q227-N231 PolarHBondContact O-N 2.87Å; Q227-N231 PolarHBondContact O-OD1 2.99Å; A228-N231 PolarHBondContact O-N 3.35Å; V229-N231 VanDerWaalsContact C-N 3.32Å; V229-N231 PolarHBondContact O-N 2.79Å; N231-V233 PolarHBondContact O-N 2.88Å; N231-T234 PolarHBondContact O-N 2.94Å; N231-L235 PolarHBondContact O-N 3.41Å
232S82.5Confident84.9Confident14 Ų1453.2 Ų53.210%0.09828%0.277CS..Hα-helixtrans-62.6-38.7176.8-62.30000112.8A228 V229 T234 L235 L236 C284A228-S232 PolarHBondContact O-N 2.93Å; A228-S232 PolarHBondContact O-OG 3.11Å; V229-S232 PolarHBondContact O-N 2.78Å; S232-T234 VanDerWaalsContact C-N 3.35Å; S232-L235 PolarHBondContact O-N 3.47Å; S232-L236 WeakPolarHBondContact O-CB 3.45Å; S232-L236 VanDerWaalsContact O-CG 3.28Å; S232-L236 WeakPolarHBondContact O-CG 3.07Å; S232-L236 PolarHBondContact O-N 3.18Å; S232-C284 WeakPolarHBondContact CB-SG 3.23Å
233V82.4Confident84Confident52 Ų5259 Ų5932%0.31530%0.301SS..Hα-helixtrans-66-37.7174.3169.50000111.4V229 N230 N231 L236 K237V229-V233 HydrophobicContact CG1-CG2 4.19Å; V229-V233 WeakPolarHBondContact O-CB 3.13Å; V229-V233 VanDerWaalsContact O-CG2 3.3Å; V229-V233 WeakPolarHBondContact O-CG2 3.48Å; V229-V233 PolarHBondContact O-N 2.87Å; N230-V233 PolarHBondContact O-N 3.01Å; N231-V233 PolarHBondContact O-N 2.88Å; V233-L236 WeakPolarHBondContact O-CB 3.33Å; V233-L236 PolarHBondContact O-N 2.96Å; V233-K237 WeakPolarHBondContact O-CG 3.28Å; V233-K237 PolarHBondContact O-N 2.85Å
234T86.2Confident83.2Confident48 Ų4860.5 Ų60.529%0.29431%0.308SS..Hα-helixtrans-66.3-43.3176.6-56.90000111.1N230 N231 S232 K237 Y238 P253 I255N230-T234 WeakPolarHBondContact O-CB 3.24Å; N230-T234 PolarHBondContact O-N 2.95Å; N230-T234 PolarHBondContact O-OG1 2.87Å; N231-T234 PolarHBondContact O-N 2.94Å; S232-T234 VanDerWaalsContact C-N 3.35Å; T234-K237 PolarHBondContact O-N 2.92Å; T234-Y238 PolarHBondContact O-N 2.8Å; T234-P253 HydrophobicContact CG2-CB 4.37Å; T234-P253 HydrophobicContact CG2-CG 4.2Å; T234-I255 HydrophobicContact CG2-CD1 3.89Å
235L84Confident82.3Confident24 Ų2458.8 Ų58.813%0.12630%0.303CS..Hα-helixtrans-60.3-43.1171.3-85.8172.2000112.7N231 S232 K237 Y238 H239 V256N231-L235 PolarHBondContact O-N 3.41Å; S232-L235 PolarHBondContact O-N 3.47Å; L235-K237 PolarHBondContact O-N 2.95Å; L235-Y238 WeakPolarHBondContact O-CB 3.37Å; L235-Y238 PolarHBondContact O-N 3.37Å; L235-H239 PolarHBondContact O-CD2 2.86Å; L235-H239 PolarHBondContact O-N 3.17Å; L235-V256 HydrophobicContact CD1-CG1 3.9Å; L235-V256 HydrophobicContact CD1-CG2 3.93Å; L235-V256 HydrophobicContact CD2-CB 4.38Å; L235-V256 HydrophobicContact CD2-CG1 4.12Å; L235-V256 HydrophobicContact CD2-CG2 3.58Å; L235-V256 HydrophobicContact CG-CG1 4.42Å; L235-V256 HydrophobicContact CG-CG2 3.68Å
236L81.6Confident81.1Confident17 Ų1764.1 Ų64.19%0.08934%0.34CS..Hα-helixtrans-56.8-48.8175.3-80.6166.7000111.8S232 V233 Y238 H239 M240 I276 C279 Y280S232-L236 WeakPolarHBondContact O-CB 3.45Å; S232-L236 VanDerWaalsContact O-CG 3.28Å; S232-L236 WeakPolarHBondContact O-CG 3.07Å; S232-L236 PolarHBondContact O-N 3.18Å; V233-L236 WeakPolarHBondContact O-CB 3.33Å; V233-L236 PolarHBondContact O-N 2.96Å; L236-Y238 VanDerWaalsContact C-N 3.3Å; L236-Y238 PolarHBondContact O-N 3.33Å; L236-H239 PolarHBondContact O-N 2.95Å; L236-M240 VanDerWaalsContact O-CG 3.27Å; L236-M240 WeakPolarHBondContact O-CG 3.21Å; L236-M240 PolarHBondContact O-N 2.79Å; L236-I276 HydrophobicContact CD2-CB 4.37Å; L236-I276 HydrophobicContact CD2-CG2 4.04Å; L236-I276 WeakPolarHBondContact CD2-O 3.37Å; L236-C279 HydrophobicContact CD1-CB 4.19Å; L236-C279 HydrophobicContact CD2-CB 3.55Å; L236-C279 HydrophobicContact CG-CB 3.48Å; L236-C279 VanDerWaalsContact CG-CB 3.48Å; L236-Y280 HydrophobicContact CD1-CD2 4.2Å
237K83.7Confident79.8Confident136 Ų13662.3 Ų62.359%0.59134%0.342SS*.Hα-helixtrans-58.8-43177.1-71.9173.4-179.2178.50111.4V233 T234 L235 M240 V241V233-K237 WeakPolarHBondContact O-CG 3.28Å; V233-K237 PolarHBondContact O-N 2.85Å; T234-K237 PolarHBondContact O-N 2.92Å; L235-K237 PolarHBondContact O-N 2.95Å; K237-M240 PolarHBondContact O-N 3.3Å; K237-V241 WeakPolarHBondContact O-CG2 3.36Å; K237-V241 PolarHBondContact O-N 3.25Å; K237-V241 VanDerWaalsContact O-N 3.11Å
238Y82.9Confident78.3Confident30 Ų3065.6 Ų65.612%0.11836%0.355CS..Hα-helixtrans-60.2-50.5177174.5-100.5000112.2T234 L235 L236 M240 V241 L242 R250 L252T234-Y238 PolarHBondContact O-N 2.8Å; L235-Y238 WeakPolarHBondContact O-CB 3.37Å; L235-Y238 PolarHBondContact O-N 3.37Å; L236-Y238 VanDerWaalsContact C-N 3.3Å; L236-Y238 PolarHBondContact O-N 3.33Å; Y238-M240 VanDerWaalsContact C-N 3.32Å; Y238-M240 PolarHBondContact O-N 2.72Å; Y238-V241 PolarHBondContact O-N 2.93Å; Y238-L242 HydrophobicContact CD1-CD1 3.93Å; Y238-L242 HydrophobicContact CE1-CD1 3.26Å; Y238-L242 HydrophobicContact CE1-CG 4.06Å; Y238-L242 HydrophobicContact CE2-CD1 4.39Å; Y238-L242 HydrophobicContact CE2-CG 4.39Å; Y238-L242 PolarHBondContact O-N 2.96Å; Y238-R250 WeakPolarHBondContact CE2-O 3.46Å; Y238-R250 PolarHBondContact OH-O 2.87Å; Y238-L252 HydrophobicContact CD1-CG 4.49Å; Y238-L252 HydrophobicContact CE1-CD1 4.06Å; Y238-L252 HydrophobicContact CE1-CD2 4.43Å; Y238-L252 HydrophobicContact CE1-CG 3.76Å; Y238-L252 HydrophobicContact CE2-CG 4.4Å; Y238-L252 VanDerWaalsContact OH-CD1 3.32Å; Y238-L252 WeakPolarHBondContact OH-CD1 3.32Å
239H80.9Confident77Confident34 Ų3472.1 Ų72.116%0.15738%0.378CS..Hα-helixtrans-67.1-30.6179.6-70.4-63.1000113.5L235 L236 L242 K243 A275 I276L235-H239 PolarHBondContact O-CD2 2.86Å; L235-H239 PolarHBondContact O-N 3.17Å; L236-H239 PolarHBondContact O-N 2.95Å; H239-L242 PolarHBondContact O-N 2.89Å; H239-K243 PolarHBondContact O-N 2.91Å; H239-K243 VanDerWaalsContact O-N 3.07Å; H239-A275 HydrophobicContact CB-CB 4.46Å; H239-A275 VanDerWaalsContact CE1-CB 3.49Å; H239-A275 WeakPolarHBondContact CE1-CB 3.4Å; H239-I276 HydrophobicContact CB-CD1 4.35Å; H239-I276 HydrophobicContact CB-CG1 3.71Å
240M79.6Confident75.8Confident94 Ų9478.7 Ų78.746%0.46340%0.401SS..Hα-helixtrans-63.9-45172-73178.467.300111.7L236 K237 Y238 L242 K243 E244 I276L236-M240 VanDerWaalsContact O-CG 3.27Å; L236-M240 WeakPolarHBondContact O-CG 3.21Å; L236-M240 PolarHBondContact O-N 2.79Å; K237-M240 PolarHBondContact O-N 3.3Å; Y238-M240 VanDerWaalsContact C-N 3.32Å; Y238-M240 PolarHBondContact O-N 2.72Å; M240-L242 PolarHBondContact O-N 2.91Å; M240-K243 WeakPolarHBondContact O-CB 3.48Å; M240-K243 PolarHBondContact O-N 2.85Å; M240-E244 PolarHBondContact O-N 3.32Å; M240-E244 VanDerWaalsContact O-N 3.15Å; M240-I276 HydrophobicContact CG-CD1 3.99Å; M240-I276 HydrophobicContact CG-CG1 4.33Å
241V82Confident74.5Confident50 Ų5084 Ų8430%0.30342%0.423SS..Hα-helixtrans-64-40.7176.5172.80000111.5K237 Y238 K243 E244 T245K237-V241 WeakPolarHBondContact O-CG2 3.36Å; K237-V241 PolarHBondContact O-N 3.25Å; K237-V241 VanDerWaalsContact O-N 3.11Å; Y238-V241 PolarHBondContact O-N 2.93Å; V241-K243 VanDerWaalsContact C-N 3.29Å; V241-K243 PolarHBondContact O-N 2.89Å; V241-E244 PolarHBondContact O-N 2.8Å; V241-T245 HydrophobicContact CG1-CG2 4.38Å; V241-T245 WeakPolarHBondContact O-CG2 3.19Å; V241-T245 PolarHBondContact O-N 2.79Å; V241-T245 PolarHBondContact O-OG1 3.23Å
242L77.1Confident73.2Confident23 Ų2386.2 Ų86.212%0.1243%0.434CS..Hα-helixtrans-61.1-37.8175.3-76.5179.4000112.7Y238 H239 M240 E244 T245 G247Y238-L242 HydrophobicContact CD1-CD1 3.93Å; Y238-L242 HydrophobicContact CE1-CD1 3.26Å; Y238-L242 HydrophobicContact CE1-CG 4.06Å; Y238-L242 HydrophobicContact CE2-CD1 4.39Å; Y238-L242 HydrophobicContact CE2-CG 4.39Å; Y238-L242 PolarHBondContact O-N 2.96Å; H239-L242 PolarHBondContact O-N 2.89Å; M240-L242 PolarHBondContact O-N 2.91Å; L242-E244 VanDerWaalsContact C-N 3.34Å; L242-T245 WeakPolarHBondContact CA-OG1 3.43Å; L242-T245 PolarHBondContact O-N 2.96Å; L242-T245 PolarHBondContact O-OG1 2.89Å; L242-G247 PolarHBondContact O-N 2.81Å; L242-G247 VanDerWaalsContact O-N 3.16Å
243K71.1Confident72.1Confident127 Ų12787.4 Ų87.455%0.55244%0.442SS*.Hα-helixtrans-65.7-37.5176.7-171.8-171.9175.1-171.40111.8H239 M240 V241 P272 V273 I276H239-K243 PolarHBondContact O-N 2.91Å; H239-K243 VanDerWaalsContact O-N 3.07Å; M240-K243 WeakPolarHBondContact O-CB 3.48Å; M240-K243 PolarHBondContact O-N 2.85Å; V241-K243 VanDerWaalsContact C-N 3.29Å; V241-K243 PolarHBondContact O-N 2.89Å; K243-P272 HydrophobicContact CB-CB 4.26Å; K243-V273 HydrophobicContact CD-CG2 4.08Å; K243-I276 HydrophobicContact CD-CD1 4.38Å
244E74.5Confident71Confident154 Ų15492.2 Ų92.272%0.7247%0.471SS*.Hα-helixtrans-73.8-28.6178.6-71.4176.4177.100113.1M240 V241 L242M240-E244 PolarHBondContact O-N 3.32Å; M240-E244 VanDerWaalsContact O-N 3.15Å; V241-E244 PolarHBondContact O-N 2.8Å; L242-E244 VanDerWaalsContact C-N 3.34Å
245T72Confident69.7Low48 Ų4894.1 Ų94.129%0.29448%0.478SS..THydrogen-bonded Turntrans-97.116.8-173.950.90000114.2V241 L242 G247 F248V241-T245 HydrophobicContact CG1-CG2 4.38Å; V241-T245 WeakPolarHBondContact O-CG2 3.19Å; V241-T245 PolarHBondContact O-N 2.79Å; V241-T245 PolarHBondContact O-OG1 3.23Å; L242-T245 WeakPolarHBondContact CA-OG1 3.43Å; L242-T245 PolarHBondContact O-N 2.96Å; L242-T245 PolarHBondContact O-OG1 2.89Å; T245-G247 PolarHBondContact O-N 2.82Å; T245-G247 VanDerWaalsContact O-N 3.11Å; T245-F248 PolarHBondContact O-N 2.86Å
246S64Low68.3Low125 Ų12594.9 Ų94.987%0.87448%0.484SS*.THydrogen-bonded Turntrans52.829.7-177.5-58.10000114.1
247G60.2Low66.8Low44 Ų44103.5 Ų103.545%0.45452%0.524SS..THydrogen-bonded Turntrans81.816.6177.900000115.9L242 T245 Q249L242-G247 PolarHBondContact O-N 2.81Å; L242-G247 VanDerWaalsContact O-N 3.16Å; T245-G247 PolarHBondContact O-N 2.82Å; T245-G247 VanDerWaalsContact O-N 3.11Å; G247-Q249 PolarHBondContact O-N 3.45Å
248F58.6Low64.9Low170 Ų170101.4 Ų101.475%0.74653%0.525SS*.  trans-62.7111.5168.2-140.9-91.3000109.1T245 R250T245-F248 PolarHBondContact O-N 2.86Å; F248-R250 PolarHBondContact O-N 3.46Å; F248-R250 VanDerWaalsContact O-N 3.11Å
249Q56.8Low62.8Low178 Ų178105.5 Ų105.583%0.83256%0.555SS**  trans-61.7114.1-174.8-74.3-174.5-36.400110.3G247G247-Q249 PolarHBondContact O-N 3.45Å
250R57.7Low60.6Low161 Ų161109 Ų10961%0.60859%0.59SS**PPolyproline II helixtrans-95.2146.2157.7-74.7-177175.3176.5-0.3107.7Y238 F248 L252Y238-R250 WeakPolarHBondContact CE2-O 3.46Å; Y238-R250 PolarHBondContact OH-O 2.87Å; F248-R250 PolarHBondContact O-N 3.46Å; F248-R250 VanDerWaalsContact O-N 3.11Å; R250-L252 PolarHBondContact O-N 3.09Å
251E59.6Low58.9Low191 Ų191110 Ų11089%0.89361%0.606SS**PPolyproline II helixtrans-52.6133.3177.5-69178.9160.600110.8
252L60.6Low56.7Low90 Ų90114 Ų11447%0.47163%0.631SS.*PPolyproline II helixtrans-60.6139.4171.6-93.494.6000108.8Y238 R250 V254Y238-L252 HydrophobicContact CD1-CG 4.49Å; Y238-L252 HydrophobicContact CE1-CD1 4.06Å; Y238-L252 HydrophobicContact CE1-CD2 4.43Å; Y238-L252 HydrophobicContact CE1-CG 3.76Å; Y238-L252 HydrophobicContact CE2-CG 4.4Å; Y238-L252 VanDerWaalsContact OH-CD1 3.32Å; Y238-L252 WeakPolarHBondContact OH-CD1 3.32Å; R250-L252 PolarHBondContact O-N 3.09Å; L252-V254 PolarHBondContact O-N 3.44Å
253P58.5Low55Low40 Ų40118.9 Ų118.926%0.2666%0.664SS.*PPolyproline II helixtrans-55130.9164.8-19.931000109T234 I255T234-P253 HydrophobicContact CG2-CB 4.37Å; T234-P253 HydrophobicContact CG2-CG 4.2Å; P253-I255 HydrophobicContact CB-CD1 3.91Å; P253-I255 HydrophobicContact CB-CG1 3.78Å; P253-I255 PolarHBondContact O-N 3.45Å
254V60.2Low53.3Low152 Ų152115.9 Ų115.992%0.92167%0.669SS**THydrogen-bonded Turntrans-57.41.3-179.2-178.50000113.8L252 V256L252-V254 PolarHBondContact O-N 3.44Å; V254-V256 PolarHBondContact O-N 3.33Å
255I59Low51.5Low89 Ų89113.6 Ų113.646%0.45667%0.67SS.*THydrogen-bonded Turntrans-83.68.5-170.6-28.2175.8000112.4T234 P253T234-I255 HydrophobicContact CG2-CD1 3.89Å; P253-I255 HydrophobicContact CB-CD1 3.91Å; P253-I255 HydrophobicContact CB-CG1 3.78Å; P253-I255 PolarHBondContact O-N 3.45Å
256V54.8Low50.2Low40 Ų40115.6 Ų115.624%0.24269%0.686CS.*  trans-136.8100.3-166.1-166.60000111.8L235 V254 C258L235-V256 HydrophobicContact CD1-CG1 3.9Å; L235-V256 HydrophobicContact CD1-CG2 3.93Å; L235-V256 HydrophobicContact CD2-CB 4.38Å; L235-V256 HydrophobicContact CD2-CG1 4.12Å; L235-V256 HydrophobicContact CD2-CG2 3.58Å; L235-V256 HydrophobicContact CG-CG1 4.42Å; L235-V256 HydrophobicContact CG-CG2 3.68Å; V254-V256 PolarHBondContact O-N 3.33Å; V256-C258 WeakPolarHBondContact CG1-SG 3.33Å; V256-C258 PolarHBondContact O-N 3.24Å
257E49Very low49.4Very low198 Ų198116.7 Ų116.793%0.92569%0.688SS**  trans-78.394.5157.6-71.6179.1170.300107.9
258C44.8Very low49Very low91 Ų91119.7 Ų119.762%0.61569%0.69SS**  trans-78.6128.3171.7-83.70000109.8V256 A260V256-C258 WeakPolarHBondContact CG1-SG 3.33Å; V256-C258 PolarHBondContact O-N 3.24Å; C258-A260 PolarHBondContact O-N 3.43Å
259P39Very low49Very low116 Ų116117.3 Ų117.375%0.75368%0.684SS**  trans-67130.7161.39.30.8000108.8S261P259-S261 PolarHBondContact O-N 2.83Å; P259-S261 VanDerWaalsContact O-N 3.12Å
260A34.3Very low49.5Very low107 Ų107111.9 Ų111.988%0.88467%0.666SS**  trans-59.3113.3178.300000110.8C258C258-A260 PolarHBondContact O-N 3.43Å
261S42.9Very low50.4Low116 Ų116107.7 Ų107.781%0.81167%0.666SS**  trans-103123.2172.350.70000110.7P259P259-S261 PolarHBondContact O-N 2.83Å; P259-S261 VanDerWaalsContact O-N 3.12Å
262T36.6Very low51.1Low135 Ų135100 Ų10083%0.82863%0.633SS**  trans-61.8135178-31.80000111.9G264T262-G264 PolarHBondContact O-N 2.76Å
263P41.3Very low51.7Low124 Ų12497.7 Ų97.781%0.80562%0.622SS**  trans-79.4114.4178.129.8-29.8000110.5
264G35.3Very low52.7Low64 Ų64100 Ų10066%0.6663%0.629SS**  trans-110.6101.2175.500000111.5T262 E268T262-G264 PolarHBondContact O-N 2.76Å; G264-E268 VanDerWaalsContact O-OE1 3.1Å
265S36.4Very low53.7Low106 Ų10693.8 Ų93.874%0.74160%0.595SS**  trans-36.6120.6171.6162.30000115.2E268S265-E268 VanDerWaalsContact CA-OE1 3.29Å; S265-E268 WeakPolarHBondContact CA-OE1 3.37Å; S265-E268 PolarHBondContact N-OE1 2.84Å
266S45Very low54.7Low90 Ų9091.5 Ų91.563%0.62958%0.583SS**SBend166.6127.5123.944.80000113.1E268S266-E268 PolarHBondContact N-OE1 2.76Å
267T47.6Very low55.8Low149 Ų14991.7 Ų91.791%0.91459%0.592SS**SBendtrans57.451176.121.10000114.8L269T267-L269 PolarHBondContact O-N 3.33Å
268E51Low57.4Low107 Ų10787 Ų8750%0.557%0.57SS.*  trans-85.4114.7-166.3-68.9176-160.600112.4G264 S265 S266 S270G264-E268 VanDerWaalsContact O-OE1 3.1Å; S265-E268 VanDerWaalsContact CA-OE1 3.29Å; S265-E268 WeakPolarHBondContact CA-OE1 3.37Å; S265-E268 PolarHBondContact N-OE1 2.84Å; S266-E268 PolarHBondContact N-OE1 2.76Å; E268-S270 PolarHBondContact O-N 2.83Å
269L58.8Low59.1Low119 Ų11983 Ų8362%0.62354%0.543SS*.  trans-41.3139150.1-75.9147.8000108.5T267 A271 V273 Q274T267-L269 PolarHBondContact O-N 3.33Å; L269-A271 PolarHBondContact O-N 3.21Å; L269-V273 HydrophobicContact CB-CB 4.44Å; L269-V273 HydrophobicContact CB-CG1 4.28Å; L269-V273 HydrophobicContact CD2-CG1 3.75Å; L269-Q274 HydrophobicContact CB-CG 3.86Å; L269-Q274 WeakPolarHBondContact O-CG 3.35Å; L269-Q274 PolarHBondContact O-NE2 2.78Å; L269-Q274 VanDerWaalsContact O-NE2 3.08Å
270S67.6Low60.8Low65 Ų6580.6 Ų80.646%0.45552%0.52SS..  trans-52.3140.8-177.766.30000110.8E268 V273 Q274E268-S270 PolarHBondContact O-N 2.83Å; S270-V273 WeakPolarHBondContact O-CA 3.08Å; S270-V273 WeakPolarHBondContact O-CB 3.48Å; S270-V273 PolarHBondContact O-N 2.99Å; S270-V273 VanDerWaalsContact OG-CG2 3.27Å; S270-V273 WeakPolarHBondContact OG-CG2 2.94Å; S270-Q274 PolarHBondContact O-N 2.91Å; S270-Q274 VanDerWaalsContact O-N 3.08Å
271A75.7Confident62.8Low73 Ų7377 Ų7760%0.60349%0.493SS*.Hα-helixtrans-47.2-38.5-177.800000113.9L269 V273 Q274 A275L269-A271 PolarHBondContact O-N 3.21Å; A271-V273 PolarHBondContact O-N 2.75Å; A271-Q274 PolarHBondContact O-N 3.39Å; A271-A275 WeakPolarHBondContact O-CB 3.4Å; A271-A275 PolarHBondContact O-N 2.86Å
272P74.1Confident64.7Low30 Ų3072.4 Ų72.420%0.19546%0.461CS..Hα-helixtrans-61.8-37.8172.7-23.734.7000114K243 A275 I276K243-P272 HydrophobicContact CB-CB 4.26Å; P272-A275 PolarHBondContact O-N 2.85Å; P272-I276 WeakPolarHBondContact O-CD1 3.39Å; P272-I276 WeakPolarHBondContact O-CG1 3.44Å; P272-I276 PolarHBondContact O-N 2.91Å
273V74.6Confident66.8Low40 Ų4068.4 Ų68.424%0.24244%0.435CS..Hα-helixtrans-70.7-41178.8176.10000111.1K243 L269 S270 A271 I276 G277K243-V273 HydrophobicContact CD-CG2 4.08Å; L269-V273 HydrophobicContact CB-CB 4.44Å; L269-V273 HydrophobicContact CB-CG1 4.28Å; L269-V273 HydrophobicContact CD2-CG1 3.75Å; S270-V273 WeakPolarHBondContact O-CA 3.08Å; S270-V273 WeakPolarHBondContact O-CB 3.48Å; S270-V273 PolarHBondContact O-N 2.99Å; S270-V273 VanDerWaalsContact OG-CG2 3.27Å; S270-V273 WeakPolarHBondContact OG-CG2 2.94Å; A271-V273 PolarHBondContact O-N 2.75Å; V273-I276 PolarHBondContact O-N 2.73Å; V273-G277 PolarHBondContact O-N 2.56Å
274Q78.8Confident68.5Low88 Ų8863.3 Ų63.341%0.41140%0.402SS..Hα-helixtrans-61.3-44.8173.1-66.2-176.14.100111.3L269 S270 A271 I276 G277 Q278L269-Q274 HydrophobicContact CB-CG 3.86Å; L269-Q274 WeakPolarHBondContact O-CG 3.35Å; L269-Q274 PolarHBondContact O-NE2 2.78Å; L269-Q274 VanDerWaalsContact O-NE2 3.08Å; S270-Q274 PolarHBondContact O-N 2.91Å; S270-Q274 VanDerWaalsContact O-N 3.08Å; A271-Q274 PolarHBondContact O-N 3.39Å; Q274-I276 PolarHBondContact O-N 3.17Å; Q274-G277 PolarHBondContact O-N 3.31Å; Q274-G277 VanDerWaalsContact O-N 3.16Å; Q274-Q278 PolarHBondContact O-N 2.8Å
275A80.3Confident70.7Confident23 Ų2365.6 Ų65.619%0.1939%0.391CS..Hα-helixtrans-63.9-40.4178.100000112.7H239 A271 P272 G277 Q278 C279H239-A275 HydrophobicContact CB-CB 4.46Å; H239-A275 VanDerWaalsContact CE1-CB 3.49Å; H239-A275 WeakPolarHBondContact CE1-CB 3.4Å; A271-A275 WeakPolarHBondContact O-CB 3.4Å; A271-A275 PolarHBondContact O-N 2.86Å; P272-A275 PolarHBondContact O-N 2.85Å; A275-G277 VanDerWaalsContact C-N 3.33Å; A275-G277 PolarHBondContact O-N 2.78Å; A275-Q278 PolarHBondContact O-N 2.79Å; A275-C279 PolarHBondContact O-N 2.89Å; A275-C279 PolarHBondContact O-SG 3.27Å; A275-C279 VanDerWaalsContact O-SG 3.33Å
276I80.1Confident73.1Confident41 Ų4166.2 Ų66.221%0.2138%0.38CS..Hα-helixtrans-59.4-45.6172-70162.2000110.5L236 H239 M240 K243 P272 V273 Q274 Q278 C279 Y280L236-I276 HydrophobicContact CD2-CB 4.37Å; L236-I276 HydrophobicContact CD2-CG2 4.04Å; L236-I276 WeakPolarHBondContact CD2-O 3.37Å; H239-I276 HydrophobicContact CB-CD1 4.35Å; H239-I276 HydrophobicContact CB-CG1 3.71Å; M240-I276 HydrophobicContact CG-CD1 3.99Å; M240-I276 HydrophobicContact CG-CG1 4.33Å; K243-I276 HydrophobicContact CD-CD1 4.38Å; P272-I276 WeakPolarHBondContact O-CD1 3.39Å; P272-I276 WeakPolarHBondContact O-CG1 3.44Å; P272-I276 PolarHBondContact O-N 2.91Å; V273-I276 PolarHBondContact O-N 2.73Å; Q274-I276 PolarHBondContact O-N 3.17Å; I276-Q278 VanDerWaalsContact C-N 3.33Å; I276-Q278 PolarHBondContact O-N 3.43Å; I276-C279 PolarHBondContact O-N 3.06Å; I276-Y280 WeakPolarHBondContact O-CB 3.14Å; I276-Y280 PolarHBondContact O-N 2.7Å
277G79.3Confident74.9Confident43 Ų4362.4 Ų62.444%0.44335%0.354SS..Hα-helixtrans-59.2-42.9176.900000112.6V273 Q274 A275 G281V273-G277 PolarHBondContact O-N 2.56Å; Q274-G277 PolarHBondContact O-N 3.31Å; Q274-G277 VanDerWaalsContact O-N 3.16Å; A275-G277 VanDerWaalsContact C-N 3.33Å; A275-G277 PolarHBondContact O-N 2.78Å; G277-G281 WeakPolarHBondContact O-CA 3.45Å; G277-G281 PolarHBondContact O-N 2.76Å
278Q83.1Confident76.6Confident99 Ų9959.8 Ų59.846%0.46333%0.332SS..Iπ-helixtrans-65.2-52.3177.7-176.95830.200111.8Q274 A275 I276 Y280 S282 D283Q274-Q278 PolarHBondContact O-N 2.8Å; A275-Q278 PolarHBondContact O-N 2.79Å; I276-Q278 VanDerWaalsContact C-N 3.33Å; I276-Q278 PolarHBondContact O-N 3.43Å; Q278-Y280 PolarHBondContact O-N 2.93Å; Q278-S282 PolarHBondContact NE2-OG 3.04Å; Q278-S282 WeakPolarHBondContact O-CB 3.28Å; Q278-S282 PolarHBondContact O-N 2.87Å; Q278-S282 VanDerWaalsContact O-N 3.07Å; Q278-D283 PolarHBondContact NE2-OD1 2.59Å; Q278-D283 PolarHBondContact O-N 2.72Å
279C79.3Confident78.3Confident7 Ų760 Ų605%0.04733%0.333CS..Iπ-helixtrans-66.7-40.7-176.1-630000112.3L236 A275 I276 C284L236-C279 HydrophobicContact CD1-CB 4.19Å; L236-C279 HydrophobicContact CD2-CB 3.55Å; L236-C279 HydrophobicContact CG-CB 3.48Å; L236-C279 VanDerWaalsContact CG-CB 3.48Å; A275-C279 PolarHBondContact O-N 2.89Å; A275-C279 PolarHBondContact O-SG 3.27Å; A275-C279 VanDerWaalsContact O-SG 3.33Å; I276-C279 PolarHBondContact O-N 3.06Å; C279-C284 WeakPolarHBondContact O-CB 3.32Å; C279-C284 PolarHBondContact O-N 2.81Å; C279-C284 PolarHBondContact O-SG 3.3Å
280Y75Confident79.6Confident66 Ų6660.6 Ų60.626%0.25933%0.331SS..Iπ-helixtrans-82.4-48.5-179.2-174.9-101.2000112.2F4 F6 L236 I276 Q278F4-Y280 HydrophobicContact CD1-CE2 4.02Å; F4-Y280 AromaticContact CE1-CE2 3.5Å; F4-Y280 HydrophobicContact CE1-CE2 3.5Å; F4-Y280 VanDerWaalsContact CE1-CE2 3.5Å; F4-Y280 HydrophobicContact CZ-CE2 4.04Å; F6-Y280 HydrophobicContact CE2-CE1 4.08Å; L236-Y280 HydrophobicContact CD1-CD2 4.2Å; I276-Y280 WeakPolarHBondContact O-CB 3.14Å; I276-Y280 PolarHBondContact O-N 2.7Å; Q278-Y280 PolarHBondContact O-N 2.93Å
281G76Confident80.6Confident32 Ų3259.4 Ų59.433%0.3332%0.319SS..Iπ-helixtrans-79.3-31.5-170.400000114.5G277 R285G277-G281 WeakPolarHBondContact O-CA 3.45Å; G277-G281 PolarHBondContact O-N 2.76Å; G281-R285 PolarHBondContact O-NE 2.9Å; G281-R285 VanDerWaalsContact O-NE 3.16Å
282S82.3Confident81Confident19 Ų1960.3 Ų60.313%0.13331%0.307CS..Iπ-helixtrans-108.5-61178.5161.80000111.9Q278 R285 K286Q278-S282 PolarHBondContact NE2-OG 3.04Å; Q278-S282 WeakPolarHBondContact O-CB 3.28Å; Q278-S282 PolarHBondContact O-N 2.87Å; Q278-S282 VanDerWaalsContact O-N 3.07Å; S282-R285 PolarHBondContact O-N 3.08Å; S282-K286 WeakPolarHBondContact O-CB 3.3Å; S282-K286 VanDerWaalsContact O-CG 3.3Å; S282-K286 WeakPolarHBondContact O-CG 3.42Å; S282-K286 PolarHBondContact O-N 2.87Å; S282-K286 WeakPolarHBondContact OG-CE 3.39Å; S282-K286 PolarHBondContact OG-NZ 3.26Å; S282-K286 VanDerWaalsContact OG-NZ 3.09Å
283D80.9Confident81.6Confident52 Ų5261.6 Ų61.628%0.27832%0.32SS..Iπ-helixtrans-74.5-48.9-160-57-19.2000112Q278 R285 K286 A287Q278-D283 PolarHBondContact NE2-OD1 2.59Å; Q278-D283 PolarHBondContact O-N 2.72Å; D283-R285 VanDerWaalsContact C-N 3.31Å; D283-R285 PolarHBondContact O-N 3.19Å; D283-K286 PolarHBondContact O-N 3.03Å; D283-A287 WeakPolarHBondContact O-CB 3.18Å; D283-A287 PolarHBondContact O-N 3.22Å
284C78.5Confident82.3Confident16 Ų1660.8 Ų60.811%0.10831%0.314CS..Iπ-helixtrans-57.7-44.6172.2-71.40000111.2S232 C279 A287 M288S232-C284 WeakPolarHBondContact CB-SG 3.23Å; C279-C284 WeakPolarHBondContact O-CB 3.32Å; C279-C284 PolarHBondContact O-N 2.81Å; C279-C284 PolarHBondContact O-SG 3.3Å; C284-A287 PolarHBondContact O-N 3.41Å; C284-M288 WeakPolarHBondContact O-CB 3.41Å; C284-M288 WeakPolarHBondContact O-CG 3.27Å; C284-M288 PolarHBondContact O-N 3.06Å
285R81.2Confident82.6Confident113 Ų11360.6 Ų60.643%0.42631%0.313SS..Hα-helixtrans-59.3-52.1179.8-177.4-170.7-65.7-103.14.4111.5F6 G281 S282 D283 A287 M288 E289F6-R285 HydrophobicContact CE1-CG 4.16Å; G281-R285 PolarHBondContact O-NE 2.9Å; G281-R285 VanDerWaalsContact O-NE 3.16Å; S282-R285 PolarHBondContact O-N 3.08Å; D283-R285 VanDerWaalsContact C-N 3.31Å; D283-R285 PolarHBondContact O-N 3.19Å; R285-A287 VanDerWaalsContact C-N 3.34Å; R285-A287 PolarHBondContact O-N 3.15Å; R285-M288 PolarHBondContact O-N 2.76Å; R285-E289 WeakPolarHBondContact CG-OE1 3.23Å; R285-E289 WeakPolarHBondContact O-CG 3.45Å; R285-E289 PolarHBondContact O-N 3Å
286K85.6Confident82.7Confident118 Ų11862.4 Ų62.451%0.51332%0.317SS..Hα-helixtrans-61.6-41.1179.9-73.5172.4-176.7166.60112S282 D283 K290S282-K286 WeakPolarHBondContact O-CB 3.3Å; S282-K286 VanDerWaalsContact O-CG 3.3Å; S282-K286 WeakPolarHBondContact O-CG 3.42Å; S282-K286 PolarHBondContact O-N 2.87Å; S282-K286 WeakPolarHBondContact OG-CE 3.39Å; S282-K286 PolarHBondContact OG-NZ 3.26Å; S282-K286 VanDerWaalsContact OG-NZ 3.09Å; D283-K286 PolarHBondContact O-N 3.03Å; K286-K290 WeakPolarHBondContact O-CG 3.48Å; K286-K290 PolarHBondContact O-N 2.92Å; K286-K290 VanDerWaalsContact O-N 3.08Å
287A83.1Confident83Confident10 Ų1061.7 Ų61.78%0.08332%0.318CS..Hα-helixtrans-66.9-39.917800000111.9A228 V229 D283 C284 R285 K290 L291A228-A287 HydrophobicContact CB-CB 4.35Å; V229-A287 HydrophobicContact CG2-CB 3.54Å; D283-A287 WeakPolarHBondContact O-CB 3.18Å; D283-A287 PolarHBondContact O-N 3.22Å; C284-A287 PolarHBondContact O-N 3.41Å; R285-A287 VanDerWaalsContact C-N 3.34Å; R285-A287 PolarHBondContact O-N 3.15Å; A287-K290 PolarHBondContact O-N 3.18Å; A287-L291 WeakPolarHBondContact O-CB 3.32Å; A287-L291 PolarHBondContact O-N 2.83Å
288M82.9Confident83.5Confident95 Ų9564.3 Ų64.347%0.46831%0.314SS..Hα-helixtrans-67.1-40.4175.6-71.3-66.4-70.800112.7V229 C284 R285 L291 R292V229-M288 HydrophobicContact CG2-CG 4.13Å; V229-M288 HydrophobicContact CG2-SD 4Å; C284-M288 WeakPolarHBondContact O-CB 3.41Å; C284-M288 WeakPolarHBondContact O-CG 3.27Å; C284-M288 PolarHBondContact O-N 3.06Å; R285-M288 PolarHBondContact O-N 2.76Å; M288-L291 PolarHBondContact O-N 2.84Å; M288-L291 HydrophobicContact SD-CD2 4.4Å; M288-R292 PolarHBondContact O-N 2.96Å
289E86.4Confident83.5Confident110 Ų11061 Ų6151%0.51430%0.299SS..Hα-helixtrans-61.2-43.3174-75.3169.3-177.700111.7R285 R292 A293R285-E289 WeakPolarHBondContact CG-OE1 3.23Å; R285-E289 WeakPolarHBondContact O-CG 3.45Å; R285-E289 PolarHBondContact O-N 3Å; E289-R292 PolarHBondContact O-N 2.9Å; E289-A293 PolarHBondContact O-N 3.29Å; E289-A293 VanDerWaalsContact O-N 3.1Å
290K87.9Confident83.7Confident133 Ų13363.5 Ų63.558%0.57831%0.311SS*.Hα-helixtrans-62-44.9173.2-73.7176.4-179.3-179.60111.9K286 A287 R292 A293 I294K286-K290 WeakPolarHBondContact O-CG 3.48Å; K286-K290 PolarHBondContact O-N 2.92Å; K286-K290 VanDerWaalsContact O-N 3.08Å; A287-K290 PolarHBondContact O-N 3.18Å; K290-R292 VanDerWaalsContact C-N 3.29Å; K290-R292 PolarHBondContact O-N 3.34Å; K290-A293 PolarHBondContact O-N 2.69Å; K290-I294 WeakPolarHBondContact O-CD1 3.24Å; K290-I294 VanDerWaalsContact O-CG1 3.31Å; K290-I294 WeakPolarHBondContact O-CG1 3.28Å; K290-I294 PolarHBondContact O-N 2.9Å
291L87.4Confident84.3Confident40 Ų4060.5 Ų60.521%0.20930%0.3CS..Hα-helixtrans-60.3-40.6178.3-176.860000111.5A222 C225 I226 A287 M288 I294 H295A222-L291 HydrophobicContact CB-CD1 3.85Å; C225-L291 HydrophobicContact CB-CB 4.06Å; C225-L291 HydrophobicContact CB-CD1 4.22Å; I226-L291 HydrophobicContact CG1-CD1 4.21Å; I226-L291 HydrophobicContact CG1-CD2 4.01Å; A287-L291 WeakPolarHBondContact O-CB 3.32Å; A287-L291 PolarHBondContact O-N 2.83Å; M288-L291 PolarHBondContact O-N 2.84Å; M288-L291 HydrophobicContact SD-CD2 4.4Å; L291-I294 PolarHBondContact O-N 3.47Å; L291-H295 WeakPolarHBondContact O-CB 3.44Å; L291-H295 PolarHBondContact O-N 2.8Å
292R84.3Confident84.8Confident92 Ų9261 Ų6135%0.34730%0.301SS..Hα-helixtrans-60.2-48.4174.3179.9-178171.2157.62111.9S9 C11 M288 E289 K290 I294 H295 E296S9-R292 PolarHBondContact O-NH1 3.27Å; C11-R292 HydrophobicContact CB-CG 4.46Å; M288-R292 PolarHBondContact O-N 2.96Å; E289-R292 PolarHBondContact O-N 2.9Å; K290-R292 VanDerWaalsContact C-N 3.29Å; K290-R292 PolarHBondContact O-N 3.34Å; R292-I294 VanDerWaalsContact C-N 3.31Å; R292-I294 PolarHBondContact O-N 2.9Å; R292-H295 WeakPolarHBondContact O-CB 3.13Å; R292-H295 PolarHBondContact O-N 2.69Å; R292-E296 IonicContact NE-OE1 3.62Å; R292-E296 PolarHBondContact NE-OE1 2.97Å; R292-E296 IonicContact NH2-OE1 3.63Å; R292-E296 PolarHBondContact O-N 3.29Å
293A87Confident84.7Confident56 Ų5661.4 Ų61.446%0.46330%0.301SS..Hα-helixtrans-62.1-38.6178.600000112.3E289 K290 E296 A297E289-A293 PolarHBondContact O-N 3.29Å; E289-A293 VanDerWaalsContact O-N 3.1Å; K290-A293 PolarHBondContact O-N 2.69Å; A293-E296 PolarHBondContact O-N 3.39Å; A293-A297 WeakPolarHBondContact O-CB 3.19Å; A293-A297 PolarHBondContact O-N 2.59Å
294I88.5Confident84.9Confident23 Ų2361.7 Ų61.712%0.11830%0.299CS..Hα-helixtrans-64.4-44.1174.6-68.5161.1000110.6L218 K221 A222 C225 K290 L291 R292 A297 R298L218-I294 HydrophobicContact CB-CG2 4.26Å; L218-I294 HydrophobicContact CD2-CG2 4.2Å; L218-I294 WeakPolarHBondContact O-CG2 3.45Å; K221-I294 HydrophobicContact CB-CD1 3.76Å; K221-I294 HydrophobicContact CB-CG1 4.35Å; A222-I294 HydrophobicContact CB-CG2 3.87Å; C225-I294 VanDerWaalsContact SG-CD1 3.53Å; K290-I294 WeakPolarHBondContact O-CD1 3.24Å; K290-I294 VanDerWaalsContact O-CG1 3.31Å; K290-I294 WeakPolarHBondContact O-CG1 3.28Å; K290-I294 PolarHBondContact O-N 2.9Å; L291-I294 PolarHBondContact O-N 3.47Å; R292-I294 VanDerWaalsContact C-N 3.31Å; R292-I294 PolarHBondContact O-N 2.9Å; I294-A297 PolarHBondContact O-N 3.46Å; I294-R298 HydrophobicContact CG2-CG 4.45Å; I294-R298 WeakPolarHBondContact O-CG 3.45Å; I294-R298 PolarHBondContact O-N 3.16Å
295H84.7Confident85.2Confident84 Ų8461.8 Ų61.839%0.38930%0.298SS..Hα-helixtrans-61.3-44.8177.9-170.874.8000112C14 L291 R292 A297 R298 I299C14-H295 PolarHBondContact SG-CD2 2.88Å; C14-H295 PolarHBondContact SG-NE2 3.38Å; L291-H295 WeakPolarHBondContact O-CB 3.44Å; L291-H295 PolarHBondContact O-N 2.8Å; R292-H295 WeakPolarHBondContact O-CB 3.13Å; R292-H295 PolarHBondContact O-N 2.69Å; H295-A297 PolarHBondContact O-N 2.93Å; H295-R298 WeakPolarHBondContact O-CB 2.97Å; H295-R298 PolarHBondContact O-N 3.12Å; H295-R298 VanDerWaalsContact O-N 3.16Å; H295-I299 WeakPolarHBondContact O-CG1 3.42Å; H295-I299 PolarHBondContact O-N 3.47Å
296E83.8Confident85.3Confident61 Ų6161 Ų6129%0.28530%0.298SS..Hα-helixtrans-55.9-50.7172.7-77.4173.2-17100111.4C11 A13 R292 A293 R298 I299 M300C11-E296 HydrophobicContact CB-CG 4.49Å; C11-E296 WeakPolarHBondContact SG-CG 3.39Å; C11-E296 PolarHBondContact SG-OE1 3.16Å; A13-E296 HydrophobicContact CB-CG 4.25Å; R292-E296 IonicContact NE-OE1 3.62Å; R292-E296 PolarHBondContact NE-OE1 2.97Å; R292-E296 IonicContact NH2-OE1 3.63Å; R292-E296 PolarHBondContact O-N 3.29Å; A293-E296 PolarHBondContact O-N 3.39Å; E296-R298 VanDerWaalsContact C-N 3.26Å; E296-R298 PolarHBondContact O-N 2.81Å; E296-I299 PolarHBondContact O-N 2.8Å; E296-M300 VanDerWaalsContact O-CG 3.31Å; E296-M300 WeakPolarHBondContact O-CG 3.47Å; E296-M300 PolarHBondContact O-N 3.25Å
297A86.9Confident84.8Confident27 Ų2755.7 Ų55.722%0.22328%0.275CS..Hα-helixtrans-60.9-34.4177.800000112.9L218 A293 I294 H295 N301L218-A297 HydrophobicContact CD1-CB 3.91Å; L218-A297 HydrophobicContact CD2-CB 3.89Å; A293-A297 WeakPolarHBondContact O-CB 3.19Å; A293-A297 PolarHBondContact O-N 2.59Å; I294-A297 PolarHBondContact O-N 3.46Å; H295-A297 PolarHBondContact O-N 2.93Å; A297-N301 VanDerWaalsContact O-CB 3.3Å; A297-N301 WeakPolarHBondContact O-CB 3.49Å; A297-N301 PolarHBondContact O-N 3.23Å
298R88.6Confident84.8Confident97 Ų9755.5 Ų55.537%0.36627%0.273SS..Hα-helixtrans-66.7-47.1175.8-76-17865.5-177.5-1.4111.6L218 I294 H295 E296 M300 N301 A302L218-R298 HydrophobicContact CB-CG 3.5Å; L218-R298 VanDerWaalsContact CB-CG 3.5Å; L218-R298 HydrophobicContact CD1-CG 3.89Å; L218-R298 HydrophobicContact CG-CG 4.27Å; I294-R298 HydrophobicContact CG2-CG 4.45Å; I294-R298 WeakPolarHBondContact O-CG 3.45Å; I294-R298 PolarHBondContact O-N 3.16Å; H295-R298 WeakPolarHBondContact O-CB 2.97Å; H295-R298 PolarHBondContact O-N 3.12Å; H295-R298 VanDerWaalsContact O-N 3.16Å; E296-R298 VanDerWaalsContact C-N 3.26Å; E296-R298 PolarHBondContact O-N 2.81Å; R298-M300 VanDerWaalsContact C-N 3.34Å; R298-M300 PolarHBondContact O-N 3.12Å; R298-N301 PolarHBondContact O-N 3.46Å; R298-A302 VanDerWaalsContact O-CB 3.27Å; R298-A302 WeakPolarHBondContact O-CB 3.36Å; R298-A302 PolarHBondContact O-N 3.15Å
299I83.2Confident84.8Confident29 Ų2953.6 Ų53.615%0.14927%0.272CS..Hα-helixtrans-56.8-50.6177.1-70.1171.1000109.9A13 C14 V17 H295 E296 N301 A302 L303A13-I299 HydrophobicContact CB-CD1 4.39Å; C14-I299 WeakPolarHBondContact SG-CD1 3.38Å; V17-I299 HydrophobicContact CG2-CG2 3.94Å; H295-I299 WeakPolarHBondContact O-CG1 3.42Å; H295-I299 PolarHBondContact O-N 3.47Å; E296-I299 PolarHBondContact O-N 2.8Å; I299-N301 VanDerWaalsContact C-N 3.34Å; I299-N301 PolarHBondContact O-N 3.43Å; I299-A302 PolarHBondContact O-N 2.93Å; I299-L303 HydrophobicContact CG2-CD1 4.05Å; I299-L303 HydrophobicContact CG2-CG 4.46Å; I299-L303 WeakPolarHBondContact O-CG 3.21Å; I299-L303 PolarHBondContact O-N 3.49Å
300M84.1Confident84.3Confident60 Ų6049.1 Ų49.130%0.29625%0.251SS..Hα-helixtrans-58.3-46.8-179.8-63.5-60.1-87.400111.5P197 G198 V199 E296 R298 L303 R304P197-M300 HydrophobicContact CB-CE 3.8Å; P197-M300 HydrophobicContact CB-SD 3.31Å; P197-M300 WeakPolarHBondContact CB-SD 3.32Å; P197-M300 HydrophobicContact CG-SD 4.17Å; G198-M300 WeakPolarHBondContact O-CE 3.49Å; V199-M300 WeakPolarHBondContact CG1-O 3.42Å; V199-M300 HydrophobicContact CG2-CE 4.16Å; V199-M300 HydrophobicContact CG2-SD 4.18Å; E296-M300 VanDerWaalsContact O-CG 3.31Å; E296-M300 WeakPolarHBondContact O-CG 3.47Å; E296-M300 PolarHBondContact O-N 3.25Å; R298-M300 VanDerWaalsContact C-N 3.34Å; R298-M300 PolarHBondContact O-N 3.12Å; M300-L303 PolarHBondContact O-N 3.45Å; M300-R304 WeakPolarHBondContact O-CB 3.29Å; M300-R304 PolarHBondContact O-N 3.44Å; M300-R304 VanDerWaalsContact O-N 3.1Å
301N87.2Confident83.8Confident3 Ų344 Ų442%0.01623%0.228CC..Hα-helixtrans-70.8-33.7-178.1-165.247.2000112.9S211 M215 A297 R298 I299 R304 L305S211-N301 WeakPolarHBondContact CB-OD1 3.49Å; S211-N301 PolarHBondContact O-ND2 2.98Å; S211-N301 PolarHBondContact OG-OD1 3.36Å; M215-N301 WeakPolarHBondContact CG-ND2 3.16Å; M215-N301 PolarHBondContact N-ND2 2.81Å; A297-N301 VanDerWaalsContact O-CB 3.3Å; A297-N301 WeakPolarHBondContact O-CB 3.49Å; A297-N301 PolarHBondContact O-N 3.23Å; R298-N301 PolarHBondContact O-N 3.46Å; I299-N301 VanDerWaalsContact C-N 3.34Å; I299-N301 PolarHBondContact O-N 3.43Å; N301-R304 WeakPolarHBondContact O-CB 3.39Å; N301-R304 PolarHBondContact O-N 3.24Å; N301-L305 PolarHBondContact O-N 3.44Å; N301-L305 VanDerWaalsContact O-N 3.11Å
302A85.9Confident83.4Confident44 Ų4446.6 Ų46.636%0.36424%0.235SC..Hα-helixtrans-66.1-45.9174.400000111.8R298 I299 R304 L305 F306R298-A302 VanDerWaalsContact O-CB 3.27Å; R298-A302 WeakPolarHBondContact O-CB 3.36Å; R298-A302 PolarHBondContact O-N 3.15Å; I299-A302 PolarHBondContact O-N 2.93Å; A302-R304 PolarHBondContact O-N 2.61Å; A302-L305 PolarHBondContact O-N 3.12Å; A302-F306 WeakPolarHBondContact O-CB 3.19Å; A302-F306 PolarHBondContact O-N 3.34Å
303L81.2Confident83Confident26 Ų2647.1 Ų47.114%0.13624%0.241CC..Hα-helixtrans-56-43173.3-73.7174.1000111V17 I114 V199 I299 M300 L305 F306 H307V17-L303 HydrophobicContact CG2-CD1 4.43Å; I114-L303 HydrophobicContact CD1-CD2 4.09Å; V199-L303 HydrophobicContact CG2-CB 3.81Å; V199-L303 HydrophobicContact CG2-CD1 3.93Å; I299-L303 HydrophobicContact CG2-CD1 4.05Å; I299-L303 HydrophobicContact CG2-CG 4.46Å; I299-L303 WeakPolarHBondContact O-CG 3.21Å; I299-L303 PolarHBondContact O-N 3.49Å; M300-L303 PolarHBondContact O-N 3.45Å; L303-L305 PolarHBondContact O-N 2.87Å; L303-F306 WeakPolarHBondContact O-CB 3.43Å; L303-F306 PolarHBondContact O-N 2.97Å; L303-H307 PolarHBondContact O-CD2 3.17Å; L303-H307 PolarHBondContact O-N 3.4Å; L303-H307 PolarHBondContact O-NE2 2.79Å
304R83.8Confident82.3Confident58 Ų5846.4 Ų46.422%0.21923%0.23CC..Hα-helixtrans-53.8-51.3175.3-129.6166.5154.4-141.7-21.6113.5V199 D200 I202 M300 N301 A302 H307 S308V199-R304 HydrophobicContact CB-CG 4.45Å; V199-R304 HydrophobicContact CG1-CB 3.7Å; V199-R304 HydrophobicContact CG1-CG 3.33Å; D200-R304 WeakPolarHBondContact O-CD 3.48Å; D200-R304 WeakPolarHBondContact O-CG 3.23Å; D200-R304 PolarHBondContact O-NE 3.34Å; I202-R304 HydrophobicContact CD1-CB 4.16Å; I202-R304 HydrophobicContact CD1-CG 4.22Å; I202-R304 HydrophobicContact CG1-CG 4.08Å; M300-R304 WeakPolarHBondContact O-CB 3.29Å; M300-R304 PolarHBondContact O-N 3.44Å; M300-R304 VanDerWaalsContact O-N 3.1Å; N301-R304 WeakPolarHBondContact O-CB 3.39Å; N301-R304 PolarHBondContact O-N 3.24Å; A302-R304 PolarHBondContact O-N 2.61Å; R304-H307 PolarHBondContact O-N 3.46Å; R304-S308 PolarHBondContact O-N 3.38Å
305L86.7Confident81.5Confident18 Ų1855 Ų559%0.09426%0.261CS..Hα-helixtrans-66.4-42.6178.5-73.3166000111.5I202 W208 V212 M215 N301 A302 L303 H307 S308 A309I202-L305 HydrophobicContact CD1-CD2 3.84Å; I202-L305 HydrophobicContact CD1-CG 4.22Å; W208-L305 HydrophobicContact CD2-CD2 4.43Å; W208-L305 HydrophobicContact CG-CD2 4.15Å; V212-L305 HydrophobicContact CG2-CD1 4.24Å; V212-L305 HydrophobicContact CG2-CD2 3.77Å; M215-L305 HydrophobicContact CE-CD1 3.39Å; M215-L305 HydrophobicContact CG-CD1 3.71Å; M215-L305 HydrophobicContact SD-CD1 3.3Å; M215-L305 WeakPolarHBondContact SD-CD1 3.45Å; N301-L305 PolarHBondContact O-N 3.44Å; N301-L305 VanDerWaalsContact O-N 3.11Å; A302-L305 PolarHBondContact O-N 3.12Å; L303-L305 PolarHBondContact O-N 2.87Å; L305-H307 VanDerWaalsContact C-N 3.32Å; L305-H307 PolarHBondContact O-N 3.38Å; L305-S308 WeakPolarHBondContact O-CB 3.48Å; L305-S308 PolarHBondContact O-N 2.88Å; L305-S308 VanDerWaalsContact O-N 3.14Å; L305-A309 PolarHBondContact O-N 2.82Å
306F81.4Confident80.8Confident96 Ų9661.2 Ų61.242%0.42128%0.281SS..Hα-helixtrans-57.4-44.3175-178.1-101.1000111.4V111 A302 L303 S308 A309 K310V111-F306 HydrophobicContact CG1-CZ 4.18Å; A302-F306 WeakPolarHBondContact O-CB 3.19Å; A302-F306 PolarHBondContact O-N 3.34Å; L303-F306 WeakPolarHBondContact O-CB 3.43Å; L303-F306 PolarHBondContact O-N 2.97Å; F306-S308 PolarHBondContact O-N 3.27Å; F306-A309 PolarHBondContact O-N 3.37Å; F306-K310 VanDerWaalsContact O-CB 3.27Å; F306-K310 WeakPolarHBondContact O-CB 3.15Å; F306-K310 PolarHBondContact O-N 2.79Å
307H76.8Confident79.5Confident8 Ų866.3 Ų66.34%0.03731%0.31CS..Hα-helixtrans-65-38.5174.7-69.7-40000113.9I114 L303 R304 L305 R311I114-H307 WeakPolarHBondContact CB-CE1 3.36Å; I114-H307 WeakPolarHBondContact CB-NE2 2.85Å; I114-H307 WeakPolarHBondContact CD1-CE1 3.24Å; I114-H307 WeakPolarHBondContact CD1-NE2 3.46Å; I114-H307 WeakPolarHBondContact CG1-CE1 3.46Å; I114-H307 WeakPolarHBondContact CG1-NE2 3.31Å; L303-H307 PolarHBondContact O-CD2 3.17Å; L303-H307 PolarHBondContact O-N 3.4Å; L303-H307 PolarHBondContact O-NE2 2.79Å; R304-H307 PolarHBondContact O-N 3.46Å; L305-H307 VanDerWaalsContact C-N 3.32Å; L305-H307 PolarHBondContact O-N 3.38Å; H307-R311 WeakPolarHBondContact O-CB 3.24Å; H307-R311 VanDerWaalsContact O-CG 3.24Å; H307-R311 WeakPolarHBondContact O-CG 3.48Å; H307-R311 PolarHBondContact O-N 2.81Å; H307-R311 PolarHBondContact O-NE 3.16Å; H307-R311 VanDerWaalsContact O-NE 3.09Å
308S83Confident79.1Confident6 Ų668.3 Ų68.34%0.04231%0.314CS..Hα-helixtrans-61.4-49.9174.7-165.30000111.1R304 L305 F306 K310 R311 R312R304-S308 PolarHBondContact O-N 3.38Å; L305-S308 WeakPolarHBondContact O-CB 3.48Å; L305-S308 PolarHBondContact O-N 2.88Å; L305-S308 VanDerWaalsContact O-N 3.14Å; F306-S308 PolarHBondContact O-N 3.27Å; S308-K310 VanDerWaalsContact C-N 3.35Å; S308-K310 PolarHBondContact O-N 2.82Å; S308-R311 PolarHBondContact O-N 2.96Å; S308-R312 WeakPolarHBondContact O-CG 3.21Å; S308-R312 PolarHBondContact O-N 3.02Å; S308-R312 VanDerWaalsContact O-N 3.13Å
309A82.5Confident78.6Confident55 Ų5566.7 Ų66.746%0.45531%0.311SS..Hα-helixtrans-60.2-44.717800000111.8L305 F306 R311 R312 H313L305-A309 PolarHBondContact O-N 2.82Å; F306-A309 PolarHBondContact O-N 3.37Å; A309-R311 PolarHBondContact O-N 3.31Å; A309-R312 WeakPolarHBondContact O-CB 2.96Å; A309-R312 PolarHBondContact O-N 3.17Å; A309-H313 PolarHBondContact O-N 3.43Å
310K75.9Confident78.3Confident16 Ų1668.8 Ų68.87%0.0732%0.32CS..Hα-helixtrans-63.1-41.9178.6-174.4177.2178.3174.40112.9V111 P112 F113 F306 S308 R312 H313 L314V111-K310 HydrophobicContact CB-CD 4.29Å; V111-K310 HydrophobicContact CG1-CD 3.71Å; V111-K310 HydrophobicContact CG1-CG 4.3Å; V111-K310 PolarHBondContact O-NZ 3.49Å; P112-K310 WeakPolarHBondContact O-CD 3.21Å; P112-K310 PolarHBondContact O-NZ 2.74Å; F113-K310 HydrophobicContact CB-CD 4.16Å; F306-K310 VanDerWaalsContact O-CB 3.27Å; F306-K310 WeakPolarHBondContact O-CB 3.15Å; F306-K310 PolarHBondContact O-N 2.79Å; S308-K310 VanDerWaalsContact C-N 3.35Å; S308-K310 PolarHBondContact O-N 2.82Å; K310-R312 VanDerWaalsContact C-N 3.29Å; K310-R312 PolarHBondContact O-N 3.48Å; K310-H313 WeakPolarHBondContact O-CB 3.44Å; K310-H313 PolarHBondContact O-N 3.42Å; K310-H313 VanDerWaalsContact O-N 3.15Å; K310-L314 HydrophobicContact CG-CD1 4.36Å; K310-L314 PolarHBondContact O-N 2.87Å
311R76.3Confident78Confident25 Ų2569.4 Ų69.49%0.09432%0.322CS..Hα-helixtrans-61.7-39176.2-76.7178.4-72160.83.5111.5F73 M91 I202 H307 S308 A309 H313 L314 R315F73-R311 HydrophobicContact CZ-CG 4.38Å; M91-R311 HydrophobicContact CE-CG 3.84Å; M91-R311 HydrophobicContact SD-CB 4.23Å; M91-R311 WeakPolarHBondContact SD-CD 3.34Å; M91-R311 HydrophobicContact SD-CG 3.52Å; M91-R311 VanDerWaalsContact SD-CG 3.52Å; I202-R311 VanDerWaalsContact N-NH2 3.15Å; I202-R311 VanDerWaalsContact O-CZ 3.22Å; I202-R311 PolarHBondContact O-NH1 3.46Å; I202-R311 VanDerWaalsContact O-NH1 3.08Å; I202-R311 PolarHBondContact O-NH2 3.07Å; H307-R311 WeakPolarHBondContact O-CB 3.24Å; H307-R311 VanDerWaalsContact O-CG 3.24Å; H307-R311 WeakPolarHBondContact O-CG 3.48Å; H307-R311 PolarHBondContact O-N 2.81Å; H307-R311 PolarHBondContact O-NE 3.16Å; H307-R311 VanDerWaalsContact O-NE 3.09Å; S308-R311 PolarHBondContact O-N 2.96Å; A309-R311 PolarHBondContact O-N 3.31Å; R311-H313 VanDerWaalsContact C-N 3.33Å; R311-L314 PolarHBondContact O-N 2.89Å; R311-R315 WeakPolarHBondContact O-CG 3.41Å; R311-R315 PolarHBondContact O-N 2.84Å; R311-R315 VanDerWaalsContact O-N 3.1Å
312R78.8Confident77.4Confident95 Ų9573.5 Ų73.536%0.35834%0.341SS..Hα-helixtrans-63.4-39.1173.4-66.2175.4-170.3-159.8-4.8111.9D205 S308 A309 K310 R315 R316D205-R312 IonicContact OD1-CZ 2.75Å; D205-R312 IonicContact OD1-NH1 3.65Å; D205-R312 IonicContact OD1-NH2 2.66Å; D205-R312 PolarHBondContact OD1-NH2 3.41Å; S308-R312 WeakPolarHBondContact O-CG 3.21Å; S308-R312 PolarHBondContact O-N 3.02Å; S308-R312 VanDerWaalsContact O-N 3.13Å; A309-R312 WeakPolarHBondContact O-CB 2.96Å; A309-R312 PolarHBondContact O-N 3.17Å; K310-R312 VanDerWaalsContact C-N 3.29Å; K310-R312 PolarHBondContact O-N 3.48Å; R312-R315 PolarHBondContact O-N 3.43Å; R312-R316 WeakPolarHBondContact O-CG 3.5Å
313H76.9Confident76.8Confident102 Ų10275.5 Ų75.547%0.47234%0.339SS..Hα-helixtrans-66.3-43.1175.6-172.5-74.7000112.4A309 K310 R311 R315 R316 N317A309-H313 PolarHBondContact O-N 3.43Å; K310-H313 WeakPolarHBondContact O-CB 3.44Å; K310-H313 PolarHBondContact O-N 3.42Å; K310-H313 VanDerWaalsContact O-N 3.15Å; R311-H313 VanDerWaalsContact C-N 3.33Å; H313-R315 VanDerWaalsContact C-N 3.28Å; H313-R315 PolarHBondContact O-N 3.24Å; H313-R316 PolarHBondContact O-N 3.45Å; H313-N317 PolarHBondContact CE1-ND2 3.01Å
314L72.1Confident76.5Confident42 Ų4279 Ų7922%0.2235%0.354CS..Hα-helixtrans-68.3-22.6177.7-73.7173.8000113.9F73 A93 K310 R311 R316 N317F73-L314 HydrophobicContact CE1-CD1 3.7Å; F73-L314 HydrophobicContact CZ-CD1 3.79Å; A93-L314 WeakPolarHBondContact O-CD2 3.24Å; K310-L314 HydrophobicContact CG-CD1 4.36Å; K310-L314 PolarHBondContact O-N 2.87Å; R311-L314 PolarHBondContact O-N 2.89Å; L314-R316 VanDerWaalsContact C-N 3.33Å; L314-N317 VanDerWaalsContact O-OXT 3.09Å
315R72.6Confident76Confident204 Ų20480.6 Ų80.677%0.7736%0.364SS*.THydrogen-bonded Turntrans-79.6-15.2173.4-74.9-178.4179.8-176.10.1113.6R311 R312 H313R311-R315 WeakPolarHBondContact O-CG 3.41Å; R311-R315 PolarHBondContact O-N 2.84Å; R311-R315 VanDerWaalsContact O-N 3.1Å; R312-R315 PolarHBondContact O-N 3.43Å; H313-R315 VanDerWaalsContact C-N 3.28Å; H313-R315 PolarHBondContact O-N 3.24Å
316R69.2Low75.1Confident214 Ų21485.8 Ų85.881%0.80839%0.387SS*.THydrogen-bonded Turntrans-93.3-15.3-178.2-72.8177.5177.7-177.7-1.3113.2R312 H313 L314R312-R316 WeakPolarHBondContact O-CG 3.5Å; H313-R316 PolarHBondContact O-N 3.45Å; L314-R316 VanDerWaalsContact C-N 3.33Å
317N55.4Low74.5Confident167 Ų16784.9 Ų84.989%0.89338%0.383SS*.  trans-121.50-177.1-63.8-16.1000110.7H313 L314H313-N317 PolarHBondContact CE1-ND2 3.01Å; L314-N317 VanDerWaalsContact O-OXT 3.09Å

Retrieved 317 of 317 residues in 144.4 ms (Link to these results)

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