A0A077ZDP6_TRITR Loading...

CCR4-NOT transcription complex, subunit 3

AlphaFold DB , UniProt , Accession A0A077ZDP6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 333 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
1S57.2Low68.6Low139 Ų13996 Ų9697%0.97253%0.53SS*.  0-32.80-59.10000115.3I3 K4 L5S1-I3 PolarHBondContact O-N 3.33Å; S1-K4 PolarHBondContact O-N 3.46Å; S1-L5 PolarHBondContact O-N 3.41Å
2G58.2Low70.1Confident48 Ų4888.9 Ų88.950%0.49549%0.49SS..Hα-helixtrans-61.2-39.5-177.600000115.9K4 L5 L6G2-K4 PolarHBondContact O-N 2.75Å; G2-L5 PolarHBondContact O-N 3.2Å; G2-L6 PolarHBondContact O-N 2.89Å; G2-L6 VanDerWaalsContact O-N 3.09Å
3I63.3Low71.5Confident126 Ų12692.3 Ų92.365%0.64650%0.501SS*.Hα-helixtrans-63.9-44.4-179.6-64.5172.4000111.5S1 L5 L6 F7S1-I3 PolarHBondContact O-N 3.33Å; I3-L5 VanDerWaalsContact C-N 3.28Å; I3-L5 PolarHBondContact O-N 3.31Å; I3-L6 PolarHBondContact O-N 3.04Å; I3-F7 HydrophobicContact CG2-CD2 3.6Å; I3-F7 HydrophobicContact CG2-CE2 3.46Å; I3-F7 VanDerWaalsContact CG2-CE2 3.46Å; I3-F7 VanDerWaalsContact O-CD2 3.24Å; I3-F7 WeakPolarHBondContact O-CD2 3.07Å; I3-F7 PolarHBondContact O-N 3.25Å
4K60.5Low72.9Confident174 Ų17496.1 Ų96.176%0.75750%0.504SS*.Hα-helixtrans-60.6-35.8177.5-75.5-172.1177.7-177.40112.8S1 G2 S8S1-K4 PolarHBondContact O-N 3.46Å; G2-K4 PolarHBondContact O-N 2.75Å; K4-S8 PolarHBondContact O-N 3.35Å; K4-S8 VanDerWaalsContact O-N 3.14Å; K4-S8 PolarHBondContact O-OG 3.48Å
5L60.9Low74Confident73 Ų7389.9 Ų89.938%0.38247%0.472SS..Hα-helixtrans-71.3-37.4176.7-80.8156000112.6S1 G2 I3 S8 L9 D71S1-L5 PolarHBondContact O-N 3.41Å; G2-L5 PolarHBondContact O-N 3.2Å; I3-L5 VanDerWaalsContact C-N 3.28Å; I3-L5 PolarHBondContact O-N 3.31Å; L5-S8 PolarHBondContact O-N 2.76Å; L5-S8 PolarHBondContact O-OG 3.42Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.17Å; L5-L9 PolarHBondContact O-N 3.44Å; L5-L9 VanDerWaalsContact O-N 3.07Å; L5-D71 WeakPolarHBondContact CD2-O 3.45Å
6L63Low75Confident123 Ų12385.1 Ų85.164%0.64445%0.447SS*.Hα-helixtrans-68.2-39.2175.6-71.9171.2000111.9G2 I3 L9 A10G2-L6 PolarHBondContact O-N 2.89Å; G2-L6 VanDerWaalsContact O-N 3.09Å; I3-L6 PolarHBondContact O-N 3.04Å; L6-L9 PolarHBondContact O-N 3.49Å; L6-A10 PolarHBondContact O-N 3.12Å; L6-A10 VanDerWaalsContact O-N 3.08Å
7F71.2Confident76Confident133 Ų13387.9 Ų87.958%0.58346%0.455SS*.Hα-helixtrans-62-45.2174.3-86-75.2000111.9I3 L9 A10 E11I3-F7 HydrophobicContact CG2-CD2 3.6Å; I3-F7 HydrophobicContact CG2-CE2 3.46Å; I3-F7 VanDerWaalsContact CG2-CE2 3.46Å; I3-F7 VanDerWaalsContact O-CD2 3.24Å; I3-F7 WeakPolarHBondContact O-CD2 3.07Å; I3-F7 PolarHBondContact O-N 3.25Å; F7-L9 PolarHBondContact O-N 3.04Å; F7-A10 PolarHBondContact O-N 3.24Å; F7-E11 WeakPolarHBondContact O-CG 3.46Å; F7-E11 PolarHBondContact O-N 3.41Å
8S71.3Confident76.9Confident22 Ų2290.2 Ų90.215%0.15446%0.46CS..Hα-helixtrans-66.9-37179.9620000112.8K4 L5 E11 I12K4-S8 PolarHBondContact O-N 3.35Å; K4-S8 VanDerWaalsContact O-N 3.14Å; K4-S8 PolarHBondContact O-OG 3.48Å; L5-S8 PolarHBondContact O-N 2.76Å; L5-S8 PolarHBondContact O-OG 3.42Å; S8-E11 PolarHBondContact O-N 2.99Å; S8-I12 WeakPolarHBondContact O-CD1 3.11Å; S8-I12 VanDerWaalsContact O-CG1 3.26Å; S8-I12 WeakPolarHBondContact O-CG1 3.12Å; S8-I12 PolarHBondContact O-N 3.41Å
9L78.8Confident77.8Confident92 Ų9285.5 Ų85.548%0.48244%0.436SS..Hα-helixtrans-64.4-45.7174.6-72.8171.3000112.2L5 L6 F7 E11 I12 E13L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.17Å; L5-L9 PolarHBondContact O-N 3.44Å; L5-L9 VanDerWaalsContact O-N 3.07Å; L6-L9 PolarHBondContact O-N 3.49Å; F7-L9 PolarHBondContact O-N 3.04Å; L9-E11 VanDerWaalsContact C-N 3.28Å; L9-E11 PolarHBondContact O-N 2.87Å; L9-I12 PolarHBondContact O-N 3.22Å; L9-I12 VanDerWaalsContact O-N 3.15Å; L9-E13 WeakPolarHBondContact O-CG 3.5Å; L9-E13 PolarHBondContact O-N 2.95Å
10A83.7Confident78.5Confident35 Ų3586.1 Ų86.129%0.28944%0.437SS..Hα-helixtrans-64.5-32.6177.200000112.6L6 F7 R14L6-A10 PolarHBondContact O-N 3.12Å; L6-A10 VanDerWaalsContact O-N 3.08Å; F7-A10 PolarHBondContact O-N 3.24Å; A10-R14 WeakPolarHBondContact O-CB 3.39Å; A10-R14 VanDerWaalsContact O-CG 3.28Å; A10-R14 WeakPolarHBondContact O-CG 3.44Å; A10-R14 PolarHBondContact O-N 2.8Å; A10-R14 PolarHBondContact O-NE 2.92Å; A10-R14 VanDerWaalsContact O-NE 3.11Å
11E86.4Confident79.2Confident91 Ų9186.8 Ų86.843%0.42544%0.439SS..Hα-helixtrans-68-41.1172-73.5178.3153.900112.6F7 S8 L9 C15 W66F7-E11 WeakPolarHBondContact O-CG 3.46Å; F7-E11 PolarHBondContact O-N 3.41Å; S8-E11 PolarHBondContact O-N 2.99Å; L9-E11 VanDerWaalsContact C-N 3.28Å; L9-E11 PolarHBondContact O-N 2.87Å; E11-C15 WeakPolarHBondContact O-CB 3.32Å; E11-C15 PolarHBondContact O-N 2.96Å; E11-W66 HydrophobicContact CB-CZ2 4.13Å
12I87.2Confident80.9Confident11 Ų1180.4 Ų80.46%0.05640%0.395CS..Hα-helixtrans-61.9-53.4175.3-71.5161.1000109.9S8 L9 R14 C15 L16 W66 V72 L78S8-I12 WeakPolarHBondContact O-CD1 3.11Å; S8-I12 VanDerWaalsContact O-CG1 3.26Å; S8-I12 WeakPolarHBondContact O-CG1 3.12Å; S8-I12 PolarHBondContact O-N 3.41Å; L9-I12 PolarHBondContact O-N 3.22Å; L9-I12 VanDerWaalsContact O-N 3.15Å; I12-R14 VanDerWaalsContact C-N 3.31Å; I12-R14 PolarHBondContact O-N 3.5Å; I12-C15 CarbonylContact O-C 3.52Å; I12-C15 WeakPolarHBondContact O-CA 3.48Å; I12-C15 WeakPolarHBondContact O-CB 3.33Å; I12-C15 PolarHBondContact O-N 2.9Å; I12-L16 HydrophobicContact CG2-CD1 3.98Å; I12-L16 HydrophobicContact CG2-CG 4.05Å; I12-L16 WeakPolarHBondContact O-CG 3.5Å; I12-L16 PolarHBondContact O-N 3.18Å; I12-W66 HydrophobicContact CG1-CD2 3.8Å; I12-W66 HydrophobicContact CG1-CE3 3.78Å; I12-W66 HydrophobicContact CG1-CG 4.27Å; I12-W66 HydrophobicContact CG1-CH2 4.29Å; I12-W66 HydrophobicContact CG1-CZ2 4.32Å; I12-W66 HydrophobicContact CG1-CZ3 4.04Å; I12-V72 HydrophobicContact CD1-CG1 4.44Å; I12-V72 HydrophobicContact CD1-CG2 3.78Å; I12-L78 HydrophobicContact CG2-CD2 3.82Å
13E88.4Confident82.5Confident133 Ų13378.7 Ų78.762%0.62137%0.374SS*.Hα-helixtrans-57.1-43.5-179.3-72.6178.4172.700112.3L9 C15 L16 K17L9-E13 WeakPolarHBondContact O-CG 3.5Å; L9-E13 PolarHBondContact O-N 2.95Å; E13-C15 VanDerWaalsContact C-N 3.3Å; E13-C15 PolarHBondContact O-N 3.26Å; E13-L16 PolarHBondContact O-N 3.47Å; E13-K17 WeakPolarHBondContact O-CB 3.23Å; E13-K17 PolarHBondContact O-N 2.94Å
14R90Very high83.9Confident145 Ų14577.9 Ų77.955%0.54737%0.368SS..Hα-helixtrans-62.2-37.2174.7-76.5-177.2-66.8-139.73.6112.6A10 I12 K18A10-R14 WeakPolarHBondContact O-CB 3.39Å; A10-R14 VanDerWaalsContact O-CG 3.28Å; A10-R14 WeakPolarHBondContact O-CG 3.44Å; A10-R14 PolarHBondContact O-N 2.8Å; A10-R14 PolarHBondContact O-NE 2.92Å; A10-R14 VanDerWaalsContact O-NE 3.11Å; I12-R14 VanDerWaalsContact C-N 3.31Å; I12-R14 PolarHBondContact O-N 3.5Å; R14-K18 WeakPolarHBondContact O-CG 3.46Å; R14-K18 PolarHBondContact O-N 3.05Å
15C90.2Very high85.5Confident4 Ų473.9 Ų73.93%0.02735%0.349CS..Hα-helixtrans-69.6-45.6175.9-177.70000111.4E11 I12 E13 K17 K18 V19 W66E11-C15 WeakPolarHBondContact O-CB 3.32Å; E11-C15 PolarHBondContact O-N 2.96Å; I12-C15 CarbonylContact O-C 3.52Å; I12-C15 WeakPolarHBondContact O-CA 3.48Å; I12-C15 WeakPolarHBondContact O-CB 3.33Å; I12-C15 PolarHBondContact O-N 2.9Å; E13-C15 VanDerWaalsContact C-N 3.3Å; E13-C15 PolarHBondContact O-N 3.26Å; C15-K17 VanDerWaalsContact C-N 3.29Å; C15-K17 PolarHBondContact O-N 3.18Å; C15-K18 WeakPolarHBondContact O-CB 3.39Å; C15-K18 PolarHBondContact O-N 3.12Å; C15-K18 VanDerWaalsContact O-N 3.08Å; C15-V19 WeakPolarHBondContact O-CG2 3.47Å; C15-V19 PolarHBondContact O-N 3.12Å; C15-W66 HydrophobicContact CB-CH2 3.47Å; C15-W66 VanDerWaalsContact CB-CH2 3.47Å; C15-W66 HydrophobicContact CB-CZ3 3.47Å; C15-W66 VanDerWaalsContact CB-CZ3 3.47Å; C15-W66 VanDerWaalsContact SG-CZ3 3.57Å
16L90Very high87Confident12 Ų1270.4 Ų70.46%0.06333%0.331CS..Hα-helixtrans-59.3-41.4177.8-64.1-171.5000111.6I12 E13 K18 V19 Q20 I63 Q77 L78 F81I12-L16 HydrophobicContact CG2-CD1 3.98Å; I12-L16 HydrophobicContact CG2-CG 4.05Å; I12-L16 WeakPolarHBondContact O-CG 3.5Å; I12-L16 PolarHBondContact O-N 3.18Å; E13-L16 PolarHBondContact O-N 3.47Å; L16-K18 PolarHBondContact O-N 3.32Å; L16-V19 WeakPolarHBondContact O-CB 3.03Å; L16-V19 PolarHBondContact O-N 3.46Å; L16-V19 VanDerWaalsContact O-N 3.16Å; L16-Q20 PolarHBondContact O-N 2.84Å; L16-I63 HydrophobicContact CD2-CD1 4.27Å; L16-Q77 HydrophobicContact CD1-CB 4.28Å; L16-L78 HydrophobicContact CD2-CD2 4.3Å; L16-F81 HydrophobicContact CB-CD2 4.47Å; L16-F81 HydrophobicContact CB-CE1 4.44Å; L16-F81 HydrophobicContact CB-CE2 4.15Å; L16-F81 HydrophobicContact CB-CZ 4.12Å; L16-F81 HydrophobicContact CD1-CD2 4.04Å; L16-F81 HydrophobicContact CD1-CE2 3.92Å; L16-F81 HydrophobicContact CD2-CB 3.86Å; L16-F81 HydrophobicContact CD2-CD1 4.22Å; L16-F81 HydrophobicContact CD2-CD2 3.52Å; L16-F81 HydrophobicContact CD2-CE2 4.05Å; L16-F81 HydrophobicContact CD2-CG 3.61Å; L16-F81 HydrophobicContact CG-CD2 4.2Å; L16-F81 HydrophobicContact CG-CE2 4.25Å
17K92.1Very high88.4Confident134 Ų13467.6 Ų67.658%0.58332%0.316SS*.Hα-helixtrans-59.7-44.7173.6-170.6177.4179.8-177.50112.3E13 C15 V19 Q20 E21E13-K17 WeakPolarHBondContact O-CB 3.23Å; E13-K17 PolarHBondContact O-N 2.94Å; C15-K17 VanDerWaalsContact C-N 3.29Å; C15-K17 PolarHBondContact O-N 3.18Å; K17-V19 VanDerWaalsContact C-N 3.3Å; K17-V19 PolarHBondContact O-N 3.49Å; K17-Q20 PolarHBondContact O-N 3.25Å; K17-E21 WeakPolarHBondContact CE-OE1 3.22Å; K17-E21 WeakPolarHBondContact O-CG 3.33Å; K17-E21 PolarHBondContact O-N 3.23Å
18K92.7Very high89.4Confident129 Ų12965.8 Ų65.856%0.56131%0.31SS*.Hα-helixtrans-62.8-35.1174.9-72.9176.8-179.5-177.80112.9R14 C15 L16 G22 L59R14-K18 WeakPolarHBondContact O-CG 3.46Å; R14-K18 PolarHBondContact O-N 3.05Å; C15-K18 WeakPolarHBondContact O-CB 3.39Å; C15-K18 PolarHBondContact O-N 3.12Å; C15-K18 VanDerWaalsContact O-N 3.08Å; L16-K18 PolarHBondContact O-N 3.32Å; K18-G22 PolarHBondContact O-N 3.01Å; K18-L59 HydrophobicContact CB-CD1 4.04Å; K18-L59 HydrophobicContact CB-CD2 4.45Å
19V92.6Very high90.4Very high0 Ų065 Ų650%030%0.303CS..Hα-helixtrans-66.2-44.8175.11770000110.2C15 L16 K17 G22 V23 L56 L59 I63 F81 I85C15-V19 WeakPolarHBondContact O-CG2 3.47Å; C15-V19 PolarHBondContact O-N 3.12Å; L16-V19 WeakPolarHBondContact O-CB 3.03Å; L16-V19 PolarHBondContact O-N 3.46Å; L16-V19 VanDerWaalsContact O-N 3.16Å; K17-V19 VanDerWaalsContact C-N 3.3Å; K17-V19 PolarHBondContact O-N 3.49Å; V19-G22 PolarHBondContact O-N 2.66Å; V19-V23 HydrophobicContact CG1-CG2 4.15Å; V19-V23 WeakPolarHBondContact O-CB 3.43Å; V19-V23 WeakPolarHBondContact O-CG2 3.04Å; V19-V23 PolarHBondContact O-N 3.45Å; V19-L56 HydrophobicContact CG1-CD2 4.32Å; V19-L59 HydrophobicContact CG2-CB 3.78Å; V19-L59 HydrophobicContact CG2-CD1 3.75Å; V19-L59 HydrophobicContact CG2-CG 4.3Å; V19-I63 HydrophobicContact CG2-CD1 3.97Å; V19-F81 HydrophobicContact CB-CD1 3.94Å; V19-F81 HydrophobicContact CB-CE1 4.38Å; V19-F81 HydrophobicContact CG1-CD1 3.64Å; V19-F81 HydrophobicContact CG1-CE1 4.34Å; V19-I85 HydrophobicContact CB-CD1 4.44Å; V19-I85 HydrophobicContact CG1-CD1 3.66Å; V19-I85 HydrophobicContact CG1-CG1 3.61Å; V19-I85 HydrophobicContact CG2-CD1 3.81Å
20Q92.4Very high90.9Very high98 Ų9862.6 Ų62.646%0.45829%0.288SS..Hα-helixtrans-61.4-50178.2-174.5171-6.100111.7L16 K17 G22 V23 E24 F81L16-Q20 PolarHBondContact O-N 2.84Å; K17-Q20 PolarHBondContact O-N 3.25Å; Q20-G22 VanDerWaalsContact C-N 3.31Å; Q20-G22 PolarHBondContact O-N 3.19Å; Q20-V23 PolarHBondContact O-N 2.9Å; Q20-V23 VanDerWaalsContact O-N 3.16Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.48Å; Q20-E24 PolarHBondContact NE2-OE1 3.49Å; Q20-E24 WeakPolarHBondContact O-CG 3.43Å; Q20-E24 PolarHBondContact O-N 2.95Å; Q20-F81 HydrophobicContact CB-CE1 4.37Å
21E93.1Very high91.2Very high101 Ų10162.9 Ų62.947%0.47229%0.29SS..Hα-helixtrans-57.4-43175.6-70169.3-176.500111.7K17 Y25K17-E21 WeakPolarHBondContact CE-OE1 3.22Å; K17-E21 WeakPolarHBondContact O-CG 3.33Å; K17-E21 PolarHBondContact O-N 3.23Å; E21-Y25 WeakPolarHBondContact O-CB 3.43Å; E21-Y25 PolarHBondContact O-N 2.99Å
22G93.5Very high91.3Very high4 Ų461.8 Ų61.84%0.04128%0.284CS..Hα-helixtrans-69-32.517800000113.7K18 V19 Q20 F26 E52K18-G22 PolarHBondContact O-N 3.01Å; V19-G22 PolarHBondContact O-N 2.66Å; Q20-G22 VanDerWaalsContact C-N 3.31Å; Q20-G22 PolarHBondContact O-N 3.19Å; G22-F26 VanDerWaalsContact O-CB 3.29Å; G22-F26 WeakPolarHBondContact O-CB 3.25Å; G22-F26 PolarHBondContact O-N 2.85Å; G22-E52 WeakPolarHBondContact CA-OE1 3.18Å
23V92Very high91.3Very high12 Ų1261.4 Ų61.47%0.07328%0.282CS..Hα-helixtrans-71.1-44.1175.2163.80000111V19 Q20 F26 D27 L56 L84 K88V19-V23 HydrophobicContact CG1-CG2 4.15Å; V19-V23 WeakPolarHBondContact O-CB 3.43Å; V19-V23 WeakPolarHBondContact O-CG2 3.04Å; V19-V23 PolarHBondContact O-N 3.45Å; Q20-V23 PolarHBondContact O-N 2.9Å; Q20-V23 VanDerWaalsContact O-N 3.16Å; V23-F26 WeakPolarHBondContact O-CB 3.38Å; V23-F26 PolarHBondContact O-N 3.17Å; V23-D27 PolarHBondContact O-N 3.17Å; V23-L56 HydrophobicContact CG2-CD1 4.41Å; V23-L56 HydrophobicContact CG2-CD2 4.2Å; V23-L84 HydrophobicContact CG1-CD1 4.45Å; V23-L84 HydrophobicContact CG1-CD2 4.24Å; V23-L84 HydrophobicContact CG1-CG 4.41Å; V23-L84 HydrophobicContact CG2-CD2 4.03Å; V23-L84 HydrophobicContact CG2-CG 4.07Å; V23-K88 HydrophobicContact CG2-CG 4.23Å
24E93.1Very high90.9Very high109 Ų10960.4 Ų60.451%0.50928%0.277SS..Hα-helixtrans-61.8-45.5175.7-72.3171-169.600110.9Q20 F26 D27 E28Q20-E24 WeakPolarHBondContact CG-OE1 3.48Å; Q20-E24 PolarHBondContact NE2-OE1 3.49Å; Q20-E24 WeakPolarHBondContact O-CG 3.43Å; Q20-E24 PolarHBondContact O-N 2.95Å; E24-F26 VanDerWaalsContact C-N 3.35Å; E24-F26 PolarHBondContact O-N 2.86Å; E24-D27 PolarHBondContact O-N 3.43Å; E24-E28 PolarHBondContact O-N 3.1Å
25Y93.2Very high90.6Very high91 Ų9161 Ų6136%0.35729%0.286SS..Hα-helixtrans-63.6-39.1174.8-172.4-110.5000112.2E21 D27 E28 I29 E52E21-Y25 WeakPolarHBondContact O-CB 3.43Å; E21-Y25 PolarHBondContact O-N 2.99Å; Y25-D27 VanDerWaalsContact C-N 3.35Å; Y25-D27 PolarHBondContact O-N 3.28Å; Y25-E28 PolarHBondContact O-N 3.03Å; Y25-I29 HydrophobicContact CD1-CG1 4.25Å; Y25-I29 HydrophobicContact CD2-CG1 4.46Å; Y25-I29 HydrophobicContact CE1-CD1 4.37Å; Y25-I29 HydrophobicContact CE1-CG1 3.86Å; Y25-I29 HydrophobicContact CE2-CD1 3.98Å; Y25-I29 HydrophobicContact CE2-CG1 4.1Å; Y25-I29 WeakPolarHBondContact O-CG1 3.25Å; Y25-I29 PolarHBondContact O-N 3.02Å; Y25-E52 HydrophobicContact CD1-CB 4.38Å; Y25-E52 HydrophobicContact CD1-CG 3.87Å
26F93Very high90.2Very high0 Ų061.7 Ų61.70%029%0.293CS..Hα-helixtrans-59.5-45.3174.5-178.7-84.3000111.5G22 V23 E24 I29 W30 L49 I53 L56 K88 Q91 F92G22-F26 VanDerWaalsContact O-CB 3.29Å; G22-F26 WeakPolarHBondContact O-CB 3.25Å; G22-F26 PolarHBondContact O-N 2.85Å; V23-F26 WeakPolarHBondContact O-CB 3.38Å; V23-F26 PolarHBondContact O-N 3.17Å; E24-F26 VanDerWaalsContact C-N 3.35Å; E24-F26 PolarHBondContact O-N 2.86Å; F26-I29 PolarHBondContact O-N 3.24Å; F26-W30 HydrophobicContact CE1-CB 4.44Å; F26-W30 HydrophobicContact CE1-CD2 4.39Å; F26-W30 AromaticContact CE1-CE3 3.9Å; F26-W30 HydrophobicContact CE1-CE3 3.9Å; F26-W30 AromaticContact CZ-CE3 3.86Å; F26-W30 HydrophobicContact CZ-CE3 3.86Å; F26-W30 HydrophobicContact CZ-CZ3 4.27Å; F26-W30 WeakPolarHBondContact O-CB 3.24Å; F26-W30 PolarHBondContact O-N 3.06Å; F26-L49 HydrophobicContact CD2-CD2 3.69Å; F26-L49 HydrophobicContact CE2-CD2 3.72Å; F26-L49 HydrophobicContact CG-CD2 4.14Å; F26-L49 HydrophobicContact CZ-CD2 4.2Å; F26-I53 HydrophobicContact CD2-CD1 4.24Å; F26-I53 HydrophobicContact CE2-CD1 3.82Å; F26-L56 HydrophobicContact CB-CD1 4.49Å; F26-K88 HydrophobicContact CD1-CB 4.29Å; F26-K88 HydrophobicContact CD1-CD 3.81Å; F26-K88 HydrophobicContact CD1-CG 4.23Å; F26-K88 HydrophobicContact CE1-CB 4.24Å; F26-K88 HydrophobicContact CE1-CD 3.98Å; F26-K88 HydrophobicContact CZ-CB 4.44Å; F26-Q91 HydrophobicContact CE1-CB 4.15Å; F26-Q91 HydrophobicContact CZ-CB 4.21Å; F26-F92 HydrophobicContact CE2-CB 4.06Å; F26-F92 HydrophobicContact CE2-CD2 4.43Å; F26-F92 HydrophobicContact CZ-CB 4.08Å
27D91.7Very high89.6Confident63 Ų6366.2 Ų66.234%0.33733%0.331SS..Hα-helixtrans-67.2-36.9179.5-75.6-23.2000112.5V23 E24 Y25 W30 A31 K88V23-D27 PolarHBondContact O-N 3.17Å; E24-D27 PolarHBondContact O-N 3.43Å; Y25-D27 VanDerWaalsContact C-N 3.35Å; Y25-D27 PolarHBondContact O-N 3.28Å; D27-W30 PolarHBondContact O-N 3.03Å; D27-A31 PolarHBondContact O-N 3.44Å; D27-K88 WeakPolarHBondContact OD1-CE 3.33Å; D27-K88 IonicContact OD1-NZ 2.68Å; D27-K88 PolarHBondContact OD1-NZ 3.4Å; D27-K88 WeakPolarHBondContact OD2-CE 3.4Å; D27-K88 IonicContact OD2-NZ 2.6Å; D27-K88 PolarHBondContact OD2-NZ 2.92Å
28E92.8Very high89.1Confident96 Ų9663.1 Ų63.145%0.44932%0.321SS..Hα-helixtrans-62.8-47.8173.8-169.2-167.7158.700111.8E24 Y25 W30 K32E24-E28 PolarHBondContact O-N 3.1Å; Y25-E28 PolarHBondContact O-N 3.03Å; E28-W30 VanDerWaalsContact C-N 3.33Å; E28-K32 WeakPolarHBondContact O-CG 3.49Å; E28-K32 PolarHBondContact O-N 2.93Å; E28-K32 WeakPolarHBondContact OE1-CE 3.5Å; E28-K32 IonicContact OE1-NZ 2.74Å; E28-K32 PolarHBondContact OE1-NZ 3.38Å
29I91.2Very high88.6Confident4 Ų460.1 Ų60.12%0.02131%0.314CS..Hα-helixtrans-68.6-36.2177.7-58.2-59.2000110.6Y25 F26 A31 K32 V33 F45 D48 L49Y25-I29 HydrophobicContact CD1-CG1 4.25Å; Y25-I29 HydrophobicContact CD2-CG1 4.46Å; Y25-I29 HydrophobicContact CE1-CD1 4.37Å; Y25-I29 HydrophobicContact CE1-CG1 3.86Å; Y25-I29 HydrophobicContact CE2-CD1 3.98Å; Y25-I29 HydrophobicContact CE2-CG1 4.1Å; Y25-I29 WeakPolarHBondContact O-CG1 3.25Å; Y25-I29 PolarHBondContact O-N 3.02Å; F26-I29 PolarHBondContact O-N 3.24Å; I29-A31 PolarHBondContact O-N 3.03Å; I29-K32 HydrophobicContact CD1-CD 4.36Å; I29-K32 CarbonylContact O-C 3.55Å; I29-K32 WeakPolarHBondContact O-CB 3.04Å; I29-K32 PolarHBondContact O-N 3.38Å; I29-K32 VanDerWaalsContact O-N 3.17Å; I29-V33 WeakPolarHBondContact O-CG2 3.5Å; I29-V33 PolarHBondContact O-N 3.14Å; I29-F45 HydrophobicContact CD1-CD1 4.49Å; I29-F45 HydrophobicContact CG2-CB 3.92Å; I29-F45 HydrophobicContact CG2-CD1 4.25Å; I29-F45 HydrophobicContact CG2-CG 4.47Å; I29-F45 WeakPolarHBondContact CG2-O 3.46Å; I29-D48 HydrophobicContact CG2-CB 4.37Å; I29-L49 HydrophobicContact CB-CD2 3.77Å; I29-L49 HydrophobicContact CB-CG 4.28Å; I29-L49 HydrophobicContact CG2-CD2 3.72Å; I29-L49 HydrophobicContact CG2-CG 3.65Å
30W88.9Confident88.1Confident43 Ų4366.1 Ų66.116%0.16335%0.346CS..Hα-helixtrans-60.2-45.6177.1-178.5-86.9000111.7F26 D27 E28 K32 V33 H34 L49 Q91 V95F26-W30 HydrophobicContact CE1-CB 4.44Å; F26-W30 HydrophobicContact CE1-CD2 4.39Å; F26-W30 AromaticContact CE1-CE3 3.9Å; F26-W30 HydrophobicContact CE1-CE3 3.9Å; F26-W30 AromaticContact CZ-CE3 3.86Å; F26-W30 HydrophobicContact CZ-CE3 3.86Å; F26-W30 HydrophobicContact CZ-CZ3 4.27Å; F26-W30 WeakPolarHBondContact O-CB 3.24Å; F26-W30 PolarHBondContact O-N 3.06Å; D27-W30 PolarHBondContact O-N 3.03Å; E28-W30 VanDerWaalsContact C-N 3.33Å; W30-K32 VanDerWaalsContact C-N 3.33Å; W30-K32 PolarHBondContact O-N 3.24Å; W30-V33 WeakPolarHBondContact O-CB 3.3Å; W30-V33 PolarHBondContact O-N 3.02Å; W30-H34 AromaticContact CD1-CD2 3.72Å; W30-H34 AromaticContact CE2-CD2 3.8Å; W30-H34 AromaticContact CE2-NE2 3.34Å; W30-H34 VanDerWaalsContact CE2-NE2 3.34Å; W30-H34 AromaticContact CZ2-NE2 3.45Å; W30-H34 WeakPolarHBondContact CZ2-NE2 3.25Å; W30-H34 AromaticContact NE1-CD2 3.31Å; W30-H34 PolarHBondContact NE1-CD2 3.13Å; W30-H34 VanDerWaalsContact NE1-CD2 3.31Å; W30-H34 AromaticContact NE1-NE2 3.23Å; W30-H34 PolarHBondContact NE1-NE2 3.09Å; W30-H34 PolarHBondContact O-CD2 2.9Å; W30-H34 PolarHBondContact O-N 3.08Å; W30-L49 HydrophobicContact CB-CD2 4.44Å; W30-L49 HydrophobicContact CE3-CD1 3.95Å; W30-Q91 HydrophobicContact CE3-CB 4.49Å; W30-Q91 HydrophobicContact CH2-CB 4Å; W30-Q91 WeakPolarHBondContact CH2-O 3.48Å; W30-Q91 HydrophobicContact CZ3-CB 3.98Å; W30-Q91 WeakPolarHBondContact CZ3-O 3.28Å; W30-V95 HydrophobicContact CE3-CG2 4.02Å; W30-V95 HydrophobicContact CH2-CB 4.29Å; W30-V95 HydrophobicContact CH2-CG2 3.3Å; W30-V95 HydrophobicContact CZ2-CG2 4.15Å; W30-V95 HydrophobicContact CZ3-CB 3.96Å; W30-V95 HydrophobicContact CZ3-CG2 3.21Å
31A90Very high87.7Confident40 Ų4065.7 Ų65.733%0.33134%0.344SS..Hα-helixtrans-58.4-45.6173.100000111.3D27 I29 V33 H34 E35D27-A31 PolarHBondContact O-N 3.44Å; I29-A31 PolarHBondContact O-N 3.03Å; A31-V33 VanDerWaalsContact C-N 3.31Å; A31-V33 PolarHBondContact O-N 2.75Å; A31-H34 PolarHBondContact O-N 2.89Å; A31-E35 WeakPolarHBondContact O-CG 3.39Å; A31-E35 PolarHBondContact O-N 3.32Å
32K89.7Confident87.3Confident68 Ų6862.7 Ų62.730%0.29633%0.329SS..Hα-helixtrans-61.8-32.9176.6-69.4174.9-172.3169.50113.5E28 I29 W30 H34 E35 A36 F45E28-K32 WeakPolarHBondContact O-CG 3.49Å; E28-K32 PolarHBondContact O-N 2.93Å; E28-K32 WeakPolarHBondContact OE1-CE 3.5Å; E28-K32 IonicContact OE1-NZ 2.74Å; E28-K32 PolarHBondContact OE1-NZ 3.38Å; I29-K32 HydrophobicContact CD1-CD 4.36Å; I29-K32 CarbonylContact O-C 3.55Å; I29-K32 WeakPolarHBondContact O-CB 3.04Å; I29-K32 PolarHBondContact O-N 3.38Å; I29-K32 VanDerWaalsContact O-N 3.17Å; W30-K32 VanDerWaalsContact C-N 3.33Å; W30-K32 PolarHBondContact O-N 3.24Å; K32-H34 VanDerWaalsContact C-N 3.31Å; K32-E35 PolarHBondContact O-N 3.17Å; K32-A36 VanDerWaalsContact O-CB 3.25Å; K32-A36 WeakPolarHBondContact O-CB 3.48Å; K32-A36 PolarHBondContact O-N 3.35Å; K32-F45 HydrophobicContact CB-CD1 4.12Å; K32-F45 HydrophobicContact CB-CD2 3.95Å; K32-F45 HydrophobicContact CB-CE1 3.96Å; K32-F45 HydrophobicContact CB-CE2 3.8Å; K32-F45 HydrophobicContact CB-CG 4.13Å; K32-F45 HydrophobicContact CB-CZ 3.81Å; K32-F45 HydrophobicContact CD-CD1 4.45Å; K32-F45 HydrophobicContact CD-CE1 3.81Å; K32-F45 HydrophobicContact CD-CZ 4.03Å; K32-F45 HydrophobicContact CG-CE1 4.45Å; K32-F45 HydrophobicContact CG-CZ 4.32Å
33V86Confident86.9Confident3 Ų367.9 Ų67.92%0.01835%0.353CS..Hα-helixtrans-63.6-38.1173.6170.10000111.5I29 W30 A31 K42 F45 E46 L49I29-V33 WeakPolarHBondContact O-CG2 3.5Å; I29-V33 PolarHBondContact O-N 3.14Å; W30-V33 WeakPolarHBondContact O-CB 3.3Å; W30-V33 PolarHBondContact O-N 3.02Å; A31-V33 VanDerWaalsContact C-N 3.31Å; A31-V33 PolarHBondContact O-N 2.75Å; V33-K42 HydrophobicContact CG1-CG 4.15Å; V33-F45 HydrophobicContact CG2-CB 3.39Å; V33-F45 HydrophobicContact CG2-CG 4.46Å; V33-E46 HydrophobicContact CG1-CG 4.44Å; V33-E46 HydrophobicContact CG2-CG 4.5Å; V33-L49 HydrophobicContact CG2-CD1 3.67Å; V33-L49 HydrophobicContact CG2-CG 4.34Å
34H80Confident86.8Confident113 Ų11373.8 Ų73.852%0.52338%0.377SS..Hα-helixtrans-80.5-28.6179.7-75.9-70.1000113.2W30 A31 K32W30-H34 AromaticContact CD1-CD2 3.72Å; W30-H34 AromaticContact CE2-CD2 3.8Å; W30-H34 AromaticContact CE2-NE2 3.34Å; W30-H34 VanDerWaalsContact CE2-NE2 3.34Å; W30-H34 AromaticContact CZ2-NE2 3.45Å; W30-H34 WeakPolarHBondContact CZ2-NE2 3.25Å; W30-H34 AromaticContact NE1-CD2 3.31Å; W30-H34 PolarHBondContact NE1-CD2 3.13Å; W30-H34 VanDerWaalsContact NE1-CD2 3.31Å; W30-H34 AromaticContact NE1-NE2 3.23Å; W30-H34 PolarHBondContact NE1-NE2 3.09Å; W30-H34 PolarHBondContact O-CD2 2.9Å; W30-H34 PolarHBondContact O-N 3.08Å; A31-H34 PolarHBondContact O-N 2.89Å; K32-H34 VanDerWaalsContact C-N 3.31Å
35E84.1Confident86.7Confident156 Ų15670.2 Ų70.273%0.72936%0.36SS*.Hα-helixtrans-84-19175.5-70.2174.5-169.800113.5A31 K32 A37A31-E35 WeakPolarHBondContact O-CG 3.39Å; A31-E35 PolarHBondContact O-N 3.32Å; K32-E35 PolarHBondContact O-N 3.17Å; E35-A37 PolarHBondContact O-N 2.93Å
36A82.2Confident86.4Confident20 Ų2067 Ų6717%0.16535%0.348CS..  trans-60.9111.1-178.300000111.8K32 Q41 K42 F45K32-A36 VanDerWaalsContact O-CB 3.25Å; K32-A36 WeakPolarHBondContact O-CB 3.48Å; K32-A36 PolarHBondContact O-N 3.35Å; A36-Q41 HydrophobicContact CB-CB 4.08Å; A36-K42 HydrophobicContact CB-CB 4.22Å; A36-F45 HydrophobicContact CB-CD2 4.09Å; A36-F45 HydrophobicContact CB-CE2 4.17Å
37A77.5Confident86.3Confident106 Ų10668.4 Ų68.488%0.87636%0.362SS*.  trans-76.2-25.1177.700000113.2E35E35-A37 PolarHBondContact O-N 2.93Å
38N82.3Confident86.4Confident69 Ų6966.8 Ų66.837%0.36935%0.354SS..SBendtrans-111.3150.1-178.474.154.4000112.9N40 Q41 K42N38-N40 PolarHBondContact O-N 3.2Å; N38-N40 PolarHBondContact OD1-N 3.36Å; N38-Q41 PolarHBondContact ND2-NE2 2.93Å; N38-Q41 PolarHBondContact ND2-OE1 2.63Å; N38-Q41 VanDerWaalsContact ND2-OE1 3.12Å; N38-Q41 PolarHBondContact O-N 3.21Å; N38-Q41 WeakPolarHBondContact OD1-CA 3.47Å; N38-Q41 WeakPolarHBondContact OD1-CB 3.4Å; N38-Q41 WeakPolarHBondContact OD1-CG 3.43Å; N38-Q41 PolarHBondContact OD1-N 2.97Å; N38-K42 PolarHBondContact O-N 3.4Å; N38-K42 VanDerWaalsContact O-N 3.12Å
39V81.3Confident86.3Confident67 Ų6762.3 Ų62.341%0.40633%0.333SS..Hα-helixtrans-63.2-41.9-175.8178.20000111.5Q41 K42 E43V39-Q41 PolarHBondContact O-N 2.87Å; V39-K42 WeakPolarHBondContact O-CB 3.34Å; V39-K42 PolarHBondContact O-N 2.98Å; V39-K42 VanDerWaalsContact O-N 3.12Å; V39-E43 HydrophobicContact CG1-CG 4.31Å; V39-E43 WeakPolarHBondContact O-CG 3.49Å; V39-E43 PolarHBondContact O-N 2.74Å
40N82.7Confident86.3Confident126 Ų12666.7 Ų66.767%0.67435%0.352SS*.Hα-helixtrans-63.9-39.9-176.8-65.2-4.2000112.2N38 K44N38-N40 PolarHBondContact O-N 3.2Å; N38-N40 PolarHBondContact OD1-N 3.36Å; N40-K44 WeakPolarHBondContact O-CB 3.46Å; N40-K44 PolarHBondContact O-N 3.47Å
41Q83.9Confident86.5Confident88 Ų8870.7 Ų70.741%0.41137%0.37SS..Hα-helixtrans-66.1-43.3173.3-77171.7-9.700110.4A36 N38 V39 E43 K44 F45A36-Q41 HydrophobicContact CB-CB 4.08Å; N38-Q41 PolarHBondContact ND2-NE2 2.93Å; N38-Q41 PolarHBondContact ND2-OE1 2.63Å; N38-Q41 VanDerWaalsContact ND2-OE1 3.12Å; N38-Q41 PolarHBondContact O-N 3.21Å; N38-Q41 WeakPolarHBondContact OD1-CA 3.47Å; N38-Q41 WeakPolarHBondContact OD1-CB 3.4Å; N38-Q41 WeakPolarHBondContact OD1-CG 3.43Å; N38-Q41 PolarHBondContact OD1-N 2.97Å; V39-Q41 PolarHBondContact O-N 2.87Å; Q41-E43 PolarHBondContact O-N 3.06Å; Q41-K44 WeakPolarHBondContact O-CB 3.48Å; Q41-K44 PolarHBondContact O-N 3.3Å; Q41-F45 HydrophobicContact CB-CD2 4.3Å; Q41-F45 HydrophobicContact CB-CE2 3.94Å; Q41-F45 WeakPolarHBondContact O-CD2 3.47Å; Q41-F45 WeakPolarHBondContact O-CG 3.48Å; Q41-F45 PolarHBondContact O-N 3.17Å
42K84.2Confident86.7Confident39 Ų3969.4 Ų69.417%0.1736%0.358CS..Hα-helixtrans-59.3-48.5177.7-159.8-176.3-176.7-170.20111.6V33 A36 N38 V39 K44 F45 E46 E98V33-K42 HydrophobicContact CG1-CG 4.15Å; A36-K42 HydrophobicContact CB-CB 4.22Å; N38-K42 PolarHBondContact O-N 3.4Å; N38-K42 VanDerWaalsContact O-N 3.12Å; V39-K42 WeakPolarHBondContact O-CB 3.34Å; V39-K42 PolarHBondContact O-N 2.98Å; V39-K42 VanDerWaalsContact O-N 3.12Å; K42-K44 VanDerWaalsContact C-N 3.33Å; K42-K44 PolarHBondContact O-N 3.33Å; K42-F45 PolarHBondContact O-N 3.49Å; K42-E46 WeakPolarHBondContact CE-OE1 3.32Å; K42-E46 HydrophobicContact CG-CG 4.46Å; K42-E46 WeakPolarHBondContact CG-OE1 3.36Å; K42-E46 IonicContact NZ-OE1 3.76Å; K42-E46 WeakPolarHBondContact O-CB 3.47Å; K42-E46 VanDerWaalsContact O-CG 3.23Å; K42-E46 WeakPolarHBondContact O-CG 3.37Å; K42-E46 PolarHBondContact O-N 2.94Å; K42-E98 IonicContact NZ-OE2 3.75Å
43E85.4Confident86.8Confident113 Ų11366.7 Ų66.753%0.52835%0.346SS..Hα-helixtrans-61-39.7176.6-72.7177.1-17800112.4V39 Q41 G47V39-E43 HydrophobicContact CG1-CG 4.31Å; V39-E43 WeakPolarHBondContact O-CG 3.49Å; V39-E43 PolarHBondContact O-N 2.74Å; Q41-E43 PolarHBondContact O-N 3.06Å; E43-G47 PolarHBondContact O-N 3.02Å
44K90.5Very high87.1Confident135 Ų13572 Ų7259%0.58737%0.369SS*.Hα-helixtrans-60.6-50.5174.4-177.3-174.8176.2-173.60111.3N40 Q41 K42 G47 D48N40-K44 WeakPolarHBondContact O-CB 3.46Å; N40-K44 PolarHBondContact O-N 3.47Å; Q41-K44 WeakPolarHBondContact O-CB 3.48Å; Q41-K44 PolarHBondContact O-N 3.3Å; K42-K44 VanDerWaalsContact C-N 3.33Å; K42-K44 PolarHBondContact O-N 3.33Å; K44-G47 PolarHBondContact O-N 3.22Å; K44-D48 PolarHBondContact O-N 2.88Å
45F90.8Very high87.8Confident35 Ų3571.9 Ų71.915%0.15437%0.367CS..Hα-helixtrans-67.3-37.4-179.6-64.5-48.2000112.3I29 K32 V33 A36 Q41 K42 G47 D48 L49I29-F45 HydrophobicContact CD1-CD1 4.49Å; I29-F45 HydrophobicContact CG2-CB 3.92Å; I29-F45 HydrophobicContact CG2-CD1 4.25Å; I29-F45 HydrophobicContact CG2-CG 4.47Å; I29-F45 WeakPolarHBondContact CG2-O 3.46Å; K32-F45 HydrophobicContact CB-CD1 4.12Å; K32-F45 HydrophobicContact CB-CD2 3.95Å; K32-F45 HydrophobicContact CB-CE1 3.96Å; K32-F45 HydrophobicContact CB-CE2 3.8Å; K32-F45 HydrophobicContact CB-CG 4.13Å; K32-F45 HydrophobicContact CB-CZ 3.81Å; K32-F45 HydrophobicContact CD-CD1 4.45Å; K32-F45 HydrophobicContact CD-CE1 3.81Å; K32-F45 HydrophobicContact CD-CZ 4.03Å; K32-F45 HydrophobicContact CG-CE1 4.45Å; K32-F45 HydrophobicContact CG-CZ 4.32Å; V33-F45 HydrophobicContact CG2-CB 3.39Å; V33-F45 HydrophobicContact CG2-CG 4.46Å; A36-F45 HydrophobicContact CB-CD2 4.09Å; A36-F45 HydrophobicContact CB-CE2 4.17Å; Q41-F45 HydrophobicContact CB-CD2 4.3Å; Q41-F45 HydrophobicContact CB-CE2 3.94Å; Q41-F45 WeakPolarHBondContact O-CD2 3.47Å; Q41-F45 WeakPolarHBondContact O-CG 3.48Å; Q41-F45 PolarHBondContact O-N 3.17Å; K42-F45 PolarHBondContact O-N 3.49Å; F45-G47 VanDerWaalsContact C-N 3.31Å; F45-G47 PolarHBondContact O-N 2.94Å; F45-D48 PolarHBondContact O-N 3.49Å; F45-L49 WeakPolarHBondContact O-CG 3.33Å; F45-L49 PolarHBondContact O-N 3.46Å
46E87.2Confident88.2Confident23 Ų2364.4 Ų64.411%0.10733%0.332CS..Hα-helixtrans-60.9-40.3171.9-73.6175.1-173.500111.7V33 K42 D48 L49 K50 V95 T99V33-E46 HydrophobicContact CG1-CG 4.44Å; V33-E46 HydrophobicContact CG2-CG 4.5Å; K42-E46 WeakPolarHBondContact CE-OE1 3.32Å; K42-E46 HydrophobicContact CG-CG 4.46Å; K42-E46 WeakPolarHBondContact CG-OE1 3.36Å; K42-E46 IonicContact NZ-OE1 3.76Å; K42-E46 WeakPolarHBondContact O-CB 3.47Å; K42-E46 VanDerWaalsContact O-CG 3.23Å; K42-E46 WeakPolarHBondContact O-CG 3.37Å; K42-E46 PolarHBondContact O-N 2.94Å; E46-D48 VanDerWaalsContact C-N 3.35Å; E46-L49 PolarHBondContact O-N 2.97Å; E46-K50 WeakPolarHBondContact O-CB 3.42Å; E46-K50 PolarHBondContact O-N 3.14Å; E46-V95 HydrophobicContact CG-CG1 3.8Å; E46-T99 PolarHBondContact OE1-OG1 3.38Å; E46-T99 WeakPolarHBondContact OE2-CB 3.47Å; E46-T99 WeakPolarHBondContact OE2-CG2 3.31Å; E46-T99 PolarHBondContact OE2-OG1 2.76Å
47G90.5Very high88.7Confident29 Ų2967.2 Ų67.230%0.29934%0.342SS..Hα-helixtrans-62-39.8172.700000113E43 K44 F45 K50 K51E43-G47 PolarHBondContact O-N 3.02Å; K44-G47 PolarHBondContact O-N 3.22Å; F45-G47 VanDerWaalsContact C-N 3.31Å; F45-G47 PolarHBondContact O-N 2.94Å; G47-K50 PolarHBondContact O-N 3.24Å; G47-K51 WeakPolarHBondContact O-CG 3.41Å; G47-K51 PolarHBondContact O-N 2.87Å
48D92.2Very high89.5Confident30 Ų3071.2 Ų71.216%0.1633%0.334CS..Hα-helixtrans-73.2-39.2178-69.6-24000112.2I29 K44 F45 E46 K50 K51 E52I29-D48 HydrophobicContact CG2-CB 4.37Å; K44-D48 PolarHBondContact O-N 2.88Å; F45-D48 PolarHBondContact O-N 3.49Å; E46-D48 VanDerWaalsContact C-N 3.35Å; D48-K50 VanDerWaalsContact C-N 3.29Å; D48-K50 PolarHBondContact O-N 3.29Å; D48-K51 WeakPolarHBondContact O-CB 3.46Å; D48-K51 PolarHBondContact O-N 3.48Å; D48-K51 VanDerWaalsContact O-N 3.14Å; D48-K51 IonicContact OD1-NZ 2.86Å; D48-K51 PolarHBondContact OD1-NZ 2.96Å; D48-E52 PolarHBondContact O-N 3.33Å
49L92.1Very high90Very high1 Ų169.1 Ų69.11%0.00532%0.323CS..Hα-helixtrans-57.4-42.5169.2-74.2-179.6000111.6F26 I29 W30 V33 F45 E46 K51 E52 I53 F92 V95F26-L49 HydrophobicContact CD2-CD2 3.69Å; F26-L49 HydrophobicContact CE2-CD2 3.72Å; F26-L49 HydrophobicContact CG-CD2 4.14Å; F26-L49 HydrophobicContact CZ-CD2 4.2Å; I29-L49 HydrophobicContact CB-CD2 3.77Å; I29-L49 HydrophobicContact CB-CG 4.28Å; I29-L49 HydrophobicContact CG2-CD2 3.72Å; I29-L49 HydrophobicContact CG2-CG 3.65Å; W30-L49 HydrophobicContact CB-CD2 4.44Å; W30-L49 HydrophobicContact CE3-CD1 3.95Å; V33-L49 HydrophobicContact CG2-CD1 3.67Å; V33-L49 HydrophobicContact CG2-CG 4.34Å; F45-L49 WeakPolarHBondContact O-CG 3.33Å; F45-L49 PolarHBondContact O-N 3.46Å; E46-L49 PolarHBondContact O-N 2.97Å; L49-K51 VanDerWaalsContact C-N 3.28Å; L49-K51 PolarHBondContact O-N 2.87Å; L49-E52 PolarHBondContact O-N 3.22Å; L49-I53 WeakPolarHBondContact O-CB 3.5Å; L49-I53 PolarHBondContact O-N 3.38Å; L49-F92 HydrophobicContact CB-CD2 3.77Å; L49-F92 HydrophobicContact CB-CE2 3.69Å; L49-V95 HydrophobicContact CD1-CG1 4.46Å
50K91.3Very high90.5Very high96 Ų9668.4 Ų68.442%0.41731%0.313SS..Hα-helixtrans-63.6-33.6178.2-171.2173.2-177.1172.10112.5E46 G47 D48 K54 F92E46-K50 WeakPolarHBondContact O-CB 3.42Å; E46-K50 PolarHBondContact O-N 3.14Å; G47-K50 PolarHBondContact O-N 3.24Å; D48-K50 VanDerWaalsContact C-N 3.29Å; D48-K50 PolarHBondContact O-N 3.29Å; K50-K54 WeakPolarHBondContact O-CG 3.41Å; K50-F92 HydrophobicContact CB-CE2 3.99Å; K50-F92 HydrophobicContact CB-CZ 3.58Å; K50-F92 HydrophobicContact CG-CE1 4.44Å; K50-F92 HydrophobicContact CG-CZ 3.85Å
51K93Very high91Very high127 Ų12765.4 Ų65.455%0.55230%0.297SS*.Hα-helixtrans-71.1-44.8174.2-68.4168.5-165.2156.40110.4G47 D48 L49 K54 K55G47-K51 WeakPolarHBondContact O-CG 3.41Å; G47-K51 PolarHBondContact O-N 2.87Å; D48-K51 WeakPolarHBondContact O-CB 3.46Å; D48-K51 PolarHBondContact O-N 3.48Å; D48-K51 VanDerWaalsContact O-N 3.14Å; D48-K51 IonicContact OD1-NZ 2.86Å; D48-K51 PolarHBondContact OD1-NZ 2.96Å; L49-K51 VanDerWaalsContact C-N 3.28Å; L49-K51 PolarHBondContact O-N 2.87Å; K51-K54 PolarHBondContact O-N 3.25Å; K51-K55 PolarHBondContact O-N 2.96Å
52E92.8Very high91.3Very high14 Ų1465 Ų657%0.06530%0.295CS..Hα-helixtrans-67.9-42.2-176.6-160.756.8-137.500112.2G22 Y25 D48 L49 K54 K55 L56G22-E52 WeakPolarHBondContact CA-OE1 3.18Å; Y25-E52 HydrophobicContact CD1-CB 4.38Å; Y25-E52 HydrophobicContact CD1-CG 3.87Å; D48-E52 PolarHBondContact O-N 3.33Å; L49-E52 PolarHBondContact O-N 3.22Å; E52-K54 PolarHBondContact O-N 3.37Å; E52-K55 WeakPolarHBondContact O-CA 3.3Å; E52-K55 WeakPolarHBondContact O-CB 3.4Å; E52-K55 PolarHBondContact O-N 3.29Å; E52-K55 IonicContact OE1-NZ 2.63Å; E52-K55 IonicContact OE2-NZ 3.96Å; E52-K55 PolarHBondContact OE2-NZ 2.85Å; E52-L56 PolarHBondContact O-N 3.09Å
53I92.2Very high91.6Very high10 Ų1063.2 Ų63.25%0.05129%0.287CS..Hα-helixtrans-63-33.5178.3-155.471.7000112.5F26 L49 K55 L56 Q57 K88 M89 F92F26-I53 HydrophobicContact CD2-CD1 4.24Å; F26-I53 HydrophobicContact CE2-CD1 3.82Å; L49-I53 WeakPolarHBondContact O-CB 3.5Å; L49-I53 PolarHBondContact O-N 3.38Å; I53-K55 VanDerWaalsContact C-N 3.32Å; I53-K55 PolarHBondContact O-N 3.38Å; I53-L56 HydrophobicContact CD1-CD1 4.36Å; I53-L56 PolarHBondContact O-N 2.9Å; I53-Q57 VanDerWaalsContact O-CB 3.31Å; I53-Q57 WeakPolarHBondContact O-CB 3.38Å; I53-Q57 PolarHBondContact O-N 3.45Å; I53-K88 HydrophobicContact CD1-CB 4.1Å; I53-K88 WeakPolarHBondContact CD1-O 3.33Å; I53-M89 HydrophobicContact CD1-CB 4.31Å; I53-M89 HydrophobicContact CD1-CG 3.89Å; I53-M89 HydrophobicContact CG1-CG 4Å; I53-F92 HydrophobicContact CB-CB 4.4Å; I53-F92 HydrophobicContact CB-CD1 4.35Å; I53-F92 HydrophobicContact CB-CG 4.15Å; I53-F92 HydrophobicContact CD1-CB 4.07Å; I53-F92 HydrophobicContact CG1-CB 3.97Å; I53-F92 HydrophobicContact CG1-CD1 4.33Å; I53-F92 HydrophobicContact CG1-CG 4.17Å; I53-F92 HydrophobicContact CG2-CD1 3.71Å; I53-F92 HydrophobicContact CG2-CD2 4.37Å; I53-F92 HydrophobicContact CG2-CE1 3.9Å; I53-F92 HydrophobicContact CG2-CG 3.96Å; I53-F92 HydrophobicContact CG2-CZ 4.31Å
54K93.2Very high91.9Very high114 Ų11462.2 Ų62.250%0.49628%0.281SS..Hα-helixtrans-66-34.1173.5-77179.7176.4-172.60112K50 K51 E52 R58K50-K54 WeakPolarHBondContact O-CG 3.41Å; K51-K54 PolarHBondContact O-N 3.25Å; E52-K54 PolarHBondContact O-N 3.37Å; K54-R58 WeakPolarHBondContact O-CG 3.38Å; K54-R58 PolarHBondContact O-N 3.24Å
55K94Very high91.8Very high111 Ų11161 Ų6148%0.48328%0.281SS..Hα-helixtrans-69.6-48.5174.3-63.2178.8-164.2158.40110.7K51 E52 I53 Q57 R58 L59K51-K55 PolarHBondContact O-N 2.96Å; E52-K55 WeakPolarHBondContact O-CA 3.3Å; E52-K55 WeakPolarHBondContact O-CB 3.4Å; E52-K55 PolarHBondContact O-N 3.29Å; E52-K55 IonicContact OE1-NZ 2.63Å; E52-K55 IonicContact OE2-NZ 3.96Å; E52-K55 PolarHBondContact OE2-NZ 2.85Å; I53-K55 VanDerWaalsContact C-N 3.32Å; I53-K55 PolarHBondContact O-N 3.38Å; K55-Q57 VanDerWaalsContact C-N 3.28Å; K55-Q57 PolarHBondContact O-N 2.93Å; K55-R58 WeakPolarHBondContact O-CB 3.47Å; K55-R58 PolarHBondContact O-N 3.18Å; K55-R58 VanDerWaalsContact O-N 3.1Å; K55-L59 PolarHBondContact O-N 3.17Å; K55-L59 VanDerWaalsContact O-N 3.1Å
56L93.6Very high91.7Very high0 Ų061 Ų610%028%0.28CS..Hα-helixtrans-58.1-41.1176.8-69.9175.4000111.4V19 V23 F26 E52 I53 R58 L59 R60 I85 K88V19-L56 HydrophobicContact CG1-CD2 4.32Å; V23-L56 HydrophobicContact CG2-CD1 4.41Å; V23-L56 HydrophobicContact CG2-CD2 4.2Å; F26-L56 HydrophobicContact CB-CD1 4.49Å; E52-L56 PolarHBondContact O-N 3.09Å; I53-L56 HydrophobicContact CD1-CD1 4.36Å; I53-L56 PolarHBondContact O-N 2.9Å; L56-R58 VanDerWaalsContact C-N 3.34Å; L56-R58 PolarHBondContact O-N 3.38Å; L56-L59 PolarHBondContact O-N 2.87Å; L56-R60 WeakPolarHBondContact O-CB 3.43Å; L56-R60 PolarHBondContact O-N 3.49Å; L56-I85 HydrophobicContact CB-CG1 4.45Å; L56-I85 HydrophobicContact CB-CG2 3.87Å; L56-I85 HydrophobicContact CD2-CG1 4.34Å; L56-K88 HydrophobicContact CD1-CB 4.38Å
57Q92.6Very high91.6Very high78 Ų7860.7 Ų60.736%0.36428%0.279SS..Hα-helixtrans-59.6-41175.9-173.8176.9-7.200112.6I53 K55 R60 D61 M89I53-Q57 VanDerWaalsContact O-CB 3.31Å; I53-Q57 WeakPolarHBondContact O-CB 3.38Å; I53-Q57 PolarHBondContact O-N 3.45Å; K55-Q57 VanDerWaalsContact C-N 3.28Å; K55-Q57 PolarHBondContact O-N 2.93Å; Q57-R60 WeakPolarHBondContact O-CB 3.42Å; Q57-R60 PolarHBondContact O-N 3.32Å; Q57-D61 PolarHBondContact O-N 3.14Å; Q57-D61 VanDerWaalsContact O-N 3.08Å; Q57-M89 HydrophobicContact CB-CE 4.28Å; Q57-M89 HydrophobicContact CB-SD 4.47Å; Q57-M89 HydrophobicContact CG-CE 3.89Å; Q57-M89 HydrophobicContact CG-SD 4.4Å
58R93.7Very high91.3Very high190 Ų19064.7 Ų64.772%0.71729%0.293SS*.Hα-helixtrans-64.2-42.6175.3-68.8172.1-177.5-178.8-0.6111.8K54 K55 L56 R60 D61 Q62K54-R58 WeakPolarHBondContact O-CG 3.38Å; K54-R58 PolarHBondContact O-N 3.24Å; K55-R58 WeakPolarHBondContact O-CB 3.47Å; K55-R58 PolarHBondContact O-N 3.18Å; K55-R58 VanDerWaalsContact O-N 3.1Å; L56-R58 VanDerWaalsContact C-N 3.34Å; L56-R58 PolarHBondContact O-N 3.38Å; R58-R60 VanDerWaalsContact C-N 3.31Å; R58-R60 PolarHBondContact O-N 3.39Å; R58-D61 PolarHBondContact O-N 2.88Å; R58-Q62 PolarHBondContact O-N 3.18Å
59L92.5Very high90.9Very high25 Ų2564.8 Ų64.813%0.13130%0.296CS..Hα-helixtrans-64.1-37.7175.8-64.2170.5000111.2K18 V19 K55 L56 D61 Q62 I63 I85K18-L59 HydrophobicContact CB-CD1 4.04Å; K18-L59 HydrophobicContact CB-CD2 4.45Å; V19-L59 HydrophobicContact CG2-CB 3.78Å; V19-L59 HydrophobicContact CG2-CD1 3.75Å; V19-L59 HydrophobicContact CG2-CG 4.3Å; K55-L59 PolarHBondContact O-N 3.17Å; K55-L59 VanDerWaalsContact O-N 3.1Å; L56-L59 PolarHBondContact O-N 2.87Å; L59-D61 VanDerWaalsContact C-N 3.34Å; L59-D61 PolarHBondContact O-N 3.18Å; L59-Q62 WeakPolarHBondContact O-CB 3.41Å; L59-Q62 PolarHBondContact O-N 3.45Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 3.49Å; L59-I85 HydrophobicContact CB-CD1 4.44Å
60R92.4Very high90.4Very high52 Ų5271.9 Ų71.920%0.19633%0.334CS..Hα-helixtrans-59.9-43.6174.6-172.8-92.5-90.2173.1-11112.1L56 Q57 R58 Q62 I63 K64 R82 I85L56-R60 WeakPolarHBondContact O-CB 3.43Å; L56-R60 PolarHBondContact O-N 3.49Å; Q57-R60 WeakPolarHBondContact O-CB 3.42Å; Q57-R60 PolarHBondContact O-N 3.32Å; R58-R60 VanDerWaalsContact C-N 3.31Å; R58-R60 PolarHBondContact O-N 3.39Å; R60-Q62 VanDerWaalsContact C-N 3.35Å; R60-I63 PolarHBondContact O-N 3.1Å; R60-K64 WeakPolarHBondContact O-CB 3.34Å; R60-K64 PolarHBondContact O-N 2.86Å; R60-R82 HydrophobicContact CG-CG 3.78Å; R60-I85 HydrophobicContact CB-CB 4.26Å; R60-I85 HydrophobicContact CB-CD1 3.92Å; R60-I85 HydrophobicContact CB-CG2 3.77Å; R60-I85 HydrophobicContact CG-CB 4.45Å; R60-I85 HydrophobicContact CG-CG2 4.21Å
61D93Very high89.7Confident63 Ų6372.5 Ų72.534%0.33734%0.342SS..Hα-helixtrans-68.9-36.2178.8-68.5-28.8000111.4Q57 R58 L59 K64 N65Q57-D61 PolarHBondContact O-N 3.14Å; Q57-D61 VanDerWaalsContact O-N 3.08Å; R58-D61 PolarHBondContact O-N 2.88Å; L59-D61 VanDerWaalsContact C-N 3.34Å; L59-D61 PolarHBondContact O-N 3.18Å; D61-K64 WeakPolarHBondContact O-CB 3.33Å; D61-K64 PolarHBondContact O-N 3.04Å; D61-N65 VanDerWaalsContact O-CG 3.3Å; D61-N65 PolarHBondContact O-N 3.38Å; D61-N65 PolarHBondContact O-ND2 2.89Å; D61-N65 PolarHBondContact O-OD1 3.43Å
62Q91Very high89Confident81 Ų8167.2 Ų67.238%0.37932%0.32SS..Hα-helixtrans-62.6-45.8170.8-173.2175.64.800112.1R58 L59 R60 K64 N65 W66R58-Q62 PolarHBondContact O-N 3.18Å; L59-Q62 WeakPolarHBondContact O-CB 3.41Å; L59-Q62 PolarHBondContact O-N 3.45Å; R60-Q62 VanDerWaalsContact C-N 3.35Å; Q62-K64 VanDerWaalsContact C-N 3.31Å; Q62-K64 PolarHBondContact O-N 3.34Å; Q62-N65 WeakPolarHBondContact O-CB 3.48Å; Q62-N65 PolarHBondContact O-N 3.32Å; Q62-N65 VanDerWaalsContact O-N 3.17Å; Q62-W66 HydrophobicContact CG-CD2 4.44Å; Q62-W66 HydrophobicContact CG-CE3 4.27Å; Q62-W66 HydrophobicContact CG-CH2 3.72Å; Q62-W66 HydrophobicContact CG-CZ2 3.89Å; Q62-W66 HydrophobicContact CG-CZ3 3.91Å; Q62-W66 PolarHBondContact O-N 3.49Å
63I90.4Very high88.1Confident0 Ų076.3 Ų76.30%036%0.36CS..Hα-helixtrans-59.9-42.9175.1-73168.3000110.8L16 V19 L59 R60 N65 W66 Q67 L78 F81 R82 I85L16-I63 HydrophobicContact CD2-CD1 4.27Å; V19-I63 HydrophobicContact CG2-CD1 3.97Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 3.49Å; R60-I63 PolarHBondContact O-N 3.1Å; I63-N65 VanDerWaalsContact C-N 3.28Å; I63-N65 PolarHBondContact O-N 3.32Å; I63-W66 HydrophobicContact CG1-CE3 4.35Å; I63-W66 HydrophobicContact CG1-CZ3 4.41Å; I63-W66 PolarHBondContact O-N 3.18Å; I63-W66 VanDerWaalsContact O-N 3.16Å; I63-Q67 HydrophobicContact CG2-CG 4.38Å; I63-Q67 WeakPolarHBondContact O-CG 3.44Å; I63-Q67 PolarHBondContact O-N 2.91Å; I63-L78 HydrophobicContact CG1-CD2 4.44Å; I63-L78 HydrophobicContact CG2-CB 4Å; I63-L78 HydrophobicContact CG2-CD2 4.15Å; I63-L78 WeakPolarHBondContact CG2-O 3.45Å; I63-F81 HydrophobicContact CD1-CB 4.12Å; I63-R82 HydrophobicContact CG2-CB 4.03Å; I63-R82 HydrophobicContact CG2-CG 4.46Å; I63-I85 HydrophobicContact CD1-CD1 4.05Å
64K90.3Very high87.5Confident92 Ų9280.8 Ų80.840%0.438%0.384SS..Hα-helixtrans-60.1-38.2177-173-177.5176.3-1730111.8R60 D61 Q62 Q67 N68R60-K64 WeakPolarHBondContact O-CB 3.34Å; R60-K64 PolarHBondContact O-N 2.86Å; D61-K64 WeakPolarHBondContact O-CB 3.33Å; D61-K64 PolarHBondContact O-N 3.04Å; Q62-K64 VanDerWaalsContact C-N 3.31Å; Q62-K64 PolarHBondContact O-N 3.34Å; K64-Q67 PolarHBondContact O-N 3.22Å; K64-N68 PolarHBondContact O-N 2.91Å; K64-N68 VanDerWaalsContact O-N 3.13Å; K64-N68 PolarHBondContact O-ND2 2.99Å
65N89.3Confident87.1Confident110 Ų11078.5 Ų78.559%0.58837%0.374SS*.Hα-helixtrans-63.9-42.4175.2-66.8-18.7000111.9D61 Q62 I63 N68 S69D61-N65 VanDerWaalsContact O-CG 3.3Å; D61-N65 PolarHBondContact O-N 3.38Å; D61-N65 PolarHBondContact O-ND2 2.89Å; D61-N65 PolarHBondContact O-OD1 3.43Å; Q62-N65 WeakPolarHBondContact O-CB 3.48Å; Q62-N65 PolarHBondContact O-N 3.32Å; Q62-N65 VanDerWaalsContact O-N 3.17Å; I63-N65 VanDerWaalsContact C-N 3.28Å; I63-N65 PolarHBondContact O-N 3.32Å; N65-N68 PolarHBondContact O-N 3Å; N65-S69 PolarHBondContact O-N 3.46Å; N65-S69 VanDerWaalsContact O-N 3.09Å
66W88.4Confident86.6Confident35 Ų3577.2 Ų77.213%0.13338%0.375CS..Hα-helixtrans-68.3-34.9175-67.4-42.4000113.4E11 I12 C15 Q62 I63 N68 S69 V72 L78E11-W66 HydrophobicContact CB-CZ2 4.13Å; I12-W66 HydrophobicContact CG1-CD2 3.8Å; I12-W66 HydrophobicContact CG1-CE3 3.78Å; I12-W66 HydrophobicContact CG1-CG 4.27Å; I12-W66 HydrophobicContact CG1-CH2 4.29Å; I12-W66 HydrophobicContact CG1-CZ2 4.32Å; I12-W66 HydrophobicContact CG1-CZ3 4.04Å; C15-W66 HydrophobicContact CB-CH2 3.47Å; C15-W66 VanDerWaalsContact CB-CH2 3.47Å; C15-W66 HydrophobicContact CB-CZ3 3.47Å; C15-W66 VanDerWaalsContact CB-CZ3 3.47Å; C15-W66 VanDerWaalsContact SG-CZ3 3.57Å; Q62-W66 HydrophobicContact CG-CD2 4.44Å; Q62-W66 HydrophobicContact CG-CE3 4.27Å; Q62-W66 HydrophobicContact CG-CH2 3.72Å; Q62-W66 HydrophobicContact CG-CZ2 3.89Å; Q62-W66 HydrophobicContact CG-CZ3 3.91Å; Q62-W66 PolarHBondContact O-N 3.49Å; I63-W66 HydrophobicContact CG1-CE3 4.35Å; I63-W66 HydrophobicContact CG1-CZ3 4.41Å; I63-W66 PolarHBondContact O-N 3.18Å; I63-W66 VanDerWaalsContact O-N 3.16Å; W66-N68 PolarHBondContact O-N 2.98Å; W66-S69 WeakPolarHBondContact O-CB 3.18Å; W66-S69 PolarHBondContact O-N 3.42Å; W66-S69 VanDerWaalsContact O-N 3.13Å; W66-V72 HydrophobicContact CB-CG2 4.35Å; W66-L78 HydrophobicContact CB-CD1 3.81Å; W66-L78 HydrophobicContact CE3-CD2 4.28Å
67Q84.8Confident86.2Confident17 Ų1782.8 Ų82.88%0.07940%0.401CS..Hα-helixtrans-61.5-32.9172.4-73.7-174.6-3700112.6I63 K64 K75 L78 C79I63-Q67 HydrophobicContact CG2-CG 4.38Å; I63-Q67 WeakPolarHBondContact O-CG 3.44Å; I63-Q67 PolarHBondContact O-N 2.91Å; K64-Q67 PolarHBondContact O-N 3.22Å; Q67-K75 WeakPolarHBondContact O-CD 3.44Å; Q67-K75 VanDerWaalsContact O-CE 3.27Å; Q67-K75 WeakPolarHBondContact O-CE 3.39Å; Q67-K75 PolarHBondContact O-NZ 3.09Å; Q67-L78 HydrophobicContact CG-CB 3.8Å; Q67-L78 HydrophobicContact CG-CD1 4.23Å; Q67-L78 PolarHBondContact NE2-O 2.98Å; Q67-C79 PolarHBondContact NE2-SG 3.46Å
68N85.5Confident86Confident113 Ų11379.2 Ų79.260%0.60439%0.385SS*.Hα-helixtrans-84.3-14.8177-67.3-19.8000112.8K64 N65 W66K64-N68 PolarHBondContact O-N 2.91Å; K64-N68 VanDerWaalsContact O-N 3.13Å; K64-N68 PolarHBondContact O-ND2 2.99Å; N65-N68 PolarHBondContact O-N 3Å; W66-N68 PolarHBondContact O-N 2.98Å
69S83.6Confident85.6Confident32 Ų3272.5 Ų72.522%0.22437%0.366CS..  trans-72.1145.9174.9-178.80000111.4N65 W66 D71 K75N65-S69 PolarHBondContact O-N 3.46Å; N65-S69 VanDerWaalsContact O-N 3.09Å; W66-S69 WeakPolarHBondContact O-CB 3.18Å; W66-S69 PolarHBondContact O-N 3.42Å; W66-S69 VanDerWaalsContact O-N 3.13Å; S69-D71 VanDerWaalsContact C-N 3.32Å; S69-D71 WeakPolarHBondContact OG-CB 3.29Å; S69-D71 PolarHBondContact OG-N 3.39Å; S69-D71 VanDerWaalsContact OG-N 3.1Å; S69-D71 PolarHBondContact OG-OD2 3.38Å; S69-K75 WeakPolarHBondContact O-CE 3.19Å; S69-K75 PolarHBondContact O-NZ 2.9Å
70N81.2Confident85.4Confident150 Ų15075.4 Ų75.480%0.80238%0.382SS*.SBendtrans-84-9172.4-67.6-31.1000112.5V72N70-V72 VanDerWaalsContact C-N 3.3Å; N70-V72 PolarHBondContact O-N 3.02Å
71D77.4Confident85.2Confident109 Ų10974.9 Ų74.958%0.58338%0.381SS*.SBendtrans-76.9-18.6-178.8-59.8-44.9000112.9L5 S69L5-D71 WeakPolarHBondContact CD2-O 3.45Å; S69-D71 VanDerWaalsContact C-N 3.32Å; S69-D71 WeakPolarHBondContact OG-CB 3.29Å; S69-D71 PolarHBondContact OG-N 3.39Å; S69-D71 VanDerWaalsContact OG-N 3.1Å; S69-D71 PolarHBondContact OG-OD2 3.38Å
72V77.7Confident85.1Confident16 Ų1675.6 Ų75.610%0.09738%0.379CS..  trans-100.4108.4-179.3-175.40000109.5I12 W66 N70 D74 K75 L78I12-V72 HydrophobicContact CD1-CG1 4.44Å; I12-V72 HydrophobicContact CD1-CG2 3.78Å; W66-V72 HydrophobicContact CB-CG2 4.35Å; N70-V72 VanDerWaalsContact C-N 3.3Å; N70-V72 PolarHBondContact O-N 3.02Å; V72-D74 VanDerWaalsContact CG1-O 3.25Å; V72-D74 WeakPolarHBondContact CG1-O 3.38Å; V72-K75 HydrophobicContact CG1-CG 4.23Å; V72-K75 WeakPolarHBondContact O-CE 3.12Å; V72-L78 HydrophobicContact CG1-CD1 3.9Å
73K73.5Confident84.9Confident205 Ų20579.2 Ų79.289%0.89139%0.389SS*.SBendtrans-74.6-48.6180-65.1-173.7179.4-176.40112.3
74D79.2Confident84.9Confident103 Ų10381.8 Ų81.855%0.55140%0.403SS*.  trans-96.3111.6176.8-175.28.5000110.9V72 T76V72-D74 VanDerWaalsContact CG1-O 3.25Å; V72-D74 WeakPolarHBondContact CG1-O 3.38Å; D74-T76 VanDerWaalsContact OD1-CB 3.23Å; D74-T76 WeakPolarHBondContact OD1-CB 3.48Å; D74-T76 PolarHBondContact OD1-N 3.06Å; D74-T76 PolarHBondContact OD1-OG1 3.14Å
75K85.3Confident84.9Confident67 Ų6777.4 Ų77.429%0.29138%0.384SS..  trans-103.13.3-178.3-61.3180-179.7-175.40112.4Q67 S69 V72 L78 C79Q67-K75 WeakPolarHBondContact O-CD 3.44Å; Q67-K75 VanDerWaalsContact O-CE 3.27Å; Q67-K75 WeakPolarHBondContact O-CE 3.39Å; Q67-K75 PolarHBondContact O-NZ 3.09Å; S69-K75 WeakPolarHBondContact O-CE 3.19Å; S69-K75 PolarHBondContact O-NZ 2.9Å; V72-K75 HydrophobicContact CG1-CG 4.23Å; V72-K75 WeakPolarHBondContact O-CE 3.12Å; K75-L78 PolarHBondContact O-N 2.83Å; K75-C79 WeakPolarHBondContact O-CB 3.38Å; K75-C79 PolarHBondContact O-N 3.47Å; K75-C79 PolarHBondContact O-SG 2.87Å
76T83.2Confident84.8Confident84 Ų8475.5 Ų75.552%0.51537%0.371SS..Hα-helixtrans-62.8-52.8-172.3-48.70000111D74 L78 C79 D80D74-T76 VanDerWaalsContact OD1-CB 3.23Å; D74-T76 WeakPolarHBondContact OD1-CB 3.48Å; D74-T76 PolarHBondContact OD1-N 3.06Å; D74-T76 PolarHBondContact OD1-OG1 3.14Å; T76-L78 VanDerWaalsContact C-N 3.33Å; T76-L78 PolarHBondContact O-N 3.26Å; T76-C79 WeakPolarHBondContact O-CB 3.42Å; T76-C79 PolarHBondContact O-N 2.94Å; T76-C79 VanDerWaalsContact O-N 3.1Å; T76-D80 PolarHBondContact O-N 3.26Å
77Q85.4Confident84.8Confident116 Ų11679.8 Ų79.854%0.54239%0.393SS..Hα-helixtrans-60.4-42.7176.9-67.7-173.9-17.300111.9L16 C79 D80 F81L16-Q77 HydrophobicContact CD1-CB 4.28Å; Q77-C79 VanDerWaalsContact C-N 3.28Å; Q77-C79 PolarHBondContact O-N 3.23Å; Q77-D80 PolarHBondContact O-N 3.31Å; Q77-D80 VanDerWaalsContact O-N 3.16Å; Q77-F81 WeakPolarHBondContact O-CD2 3.3Å; Q77-F81 PolarHBondContact O-N 3.34Å
78L88Confident85Confident4 Ų479.9 Ų79.92%0.02139%0.393CS..Hα-helixtrans-59.6-40176.7-64.9-178.4000111.7I12 L16 I63 W66 Q67 V72 K75 T76 R82I12-L78 HydrophobicContact CG2-CD2 3.82Å; L16-L78 HydrophobicContact CD2-CD2 4.3Å; I63-L78 HydrophobicContact CG1-CD2 4.44Å; I63-L78 HydrophobicContact CG2-CB 4Å; I63-L78 HydrophobicContact CG2-CD2 4.15Å; I63-L78 WeakPolarHBondContact CG2-O 3.45Å; W66-L78 HydrophobicContact CB-CD1 3.81Å; W66-L78 HydrophobicContact CE3-CD2 4.28Å; Q67-L78 HydrophobicContact CG-CB 3.8Å; Q67-L78 HydrophobicContact CG-CD1 4.23Å; Q67-L78 PolarHBondContact NE2-O 2.98Å; V72-L78 HydrophobicContact CG1-CD1 3.9Å; K75-L78 PolarHBondContact O-N 2.83Å; T76-L78 VanDerWaalsContact C-N 3.33Å; T76-L78 PolarHBondContact O-N 3.26Å; L78-R82 VanDerWaalsContact O-CB 3.25Å; L78-R82 WeakPolarHBondContact O-CB 3.24Å; L78-R82 PolarHBondContact O-N 3.42Å
79C86.3Confident85Confident48 Ų4875.9 Ų75.932%0.32437%0.371SS..Hα-helixtrans-62.2-44.9174.2-74.20000112.4Q67 K75 T76 Q77 R82 R83Q67-C79 PolarHBondContact NE2-SG 3.46Å; K75-C79 WeakPolarHBondContact O-CB 3.38Å; K75-C79 PolarHBondContact O-N 3.47Å; K75-C79 PolarHBondContact O-SG 2.87Å; T76-C79 WeakPolarHBondContact O-CB 3.42Å; T76-C79 PolarHBondContact O-N 2.94Å; T76-C79 VanDerWaalsContact O-N 3.1Å; Q77-C79 VanDerWaalsContact C-N 3.28Å; Q77-C79 PolarHBondContact O-N 3.23Å; C79-R82 PolarHBondContact O-N 2.93Å; C79-R83 WeakPolarHBondContact O-CG 3.3Å; C79-R83 PolarHBondContact O-N 3.09Å
80D87.6Confident85.1Confident87 Ų8778.7 Ų78.747%0.46538%0.381SS..Hα-helixtrans-67.1-47-178-66.9-24.8000111.7T76 Q77 R82 R83 L84T76-D80 PolarHBondContact O-N 3.26Å; Q77-D80 PolarHBondContact O-N 3.31Å; Q77-D80 VanDerWaalsContact O-N 3.16Å; D80-R82 PolarHBondContact O-N 2.98Å; D80-R83 PolarHBondContact O-N 3.36Å; D80-L84 WeakPolarHBondContact O-CB 3.33Å; D80-L84 PolarHBondContact O-N 3.29Å
81F88.7Confident85.3Confident40 Ų4074.5 Ų74.518%0.17536%0.356CS..Hα-helixtrans-65.8-35.6176.9-82.9-84000112.7L16 V19 Q20 I63 Q77 L84 I85L16-F81 HydrophobicContact CB-CD2 4.47Å; L16-F81 HydrophobicContact CB-CE1 4.44Å; L16-F81 HydrophobicContact CB-CE2 4.15Å; L16-F81 HydrophobicContact CB-CZ 4.12Å; L16-F81 HydrophobicContact CD1-CD2 4.04Å; L16-F81 HydrophobicContact CD1-CE2 3.92Å; L16-F81 HydrophobicContact CD2-CB 3.86Å; L16-F81 HydrophobicContact CD2-CD1 4.22Å; L16-F81 HydrophobicContact CD2-CD2 3.52Å; L16-F81 HydrophobicContact CD2-CE2 4.05Å; L16-F81 HydrophobicContact CD2-CG 3.61Å; L16-F81 HydrophobicContact CG-CD2 4.2Å; L16-F81 HydrophobicContact CG-CE2 4.25Å; V19-F81 HydrophobicContact CB-CD1 3.94Å; V19-F81 HydrophobicContact CB-CE1 4.38Å; V19-F81 HydrophobicContact CG1-CD1 3.64Å; V19-F81 HydrophobicContact CG1-CE1 4.34Å; Q20-F81 HydrophobicContact CB-CE1 4.37Å; I63-F81 HydrophobicContact CD1-CB 4.12Å; Q77-F81 WeakPolarHBondContact O-CD2 3.3Å; Q77-F81 PolarHBondContact O-N 3.34Å; F81-L84 HydrophobicContact CD1-CD2 4.4Å; F81-L84 PolarHBondContact O-N 2.98Å; F81-I85 WeakPolarHBondContact O-CG1 3.5Å; F81-I85 PolarHBondContact O-N 2.96Å
82R89.6Confident85.8Confident79 Ų7970.2 Ų70.230%0.29833%0.332SS..Hα-helixtrans-61.9-45.7173.6-163-169.8104.8-165.1-0.7111.4R60 I63 L78 C79 D80 I85 E86R60-R82 HydrophobicContact CG-CG 3.78Å; I63-R82 HydrophobicContact CG2-CB 4.03Å; I63-R82 HydrophobicContact CG2-CG 4.46Å; L78-R82 VanDerWaalsContact O-CB 3.25Å; L78-R82 WeakPolarHBondContact O-CB 3.24Å; L78-R82 PolarHBondContact O-N 3.42Å; C79-R82 PolarHBondContact O-N 2.93Å; D80-R82 PolarHBondContact O-N 2.98Å; R82-I85 PolarHBondContact O-N 2.79Å; R82-E86 IonicContact CZ-OE1 3.74Å; R82-E86 IonicContact NE-OE1 3.74Å; R82-E86 PolarHBondContact NE-OE1 3.43Å; R82-E86 IonicContact NH2-OE1 3.01Å; R82-E86 PolarHBondContact NH2-OE1 3.02Å; R82-E86 WeakPolarHBondContact O-CG 3.5Å; R82-E86 PolarHBondContact O-N 3.26Å
83R88.4Confident86.2Confident156 Ų15674.1 Ų74.159%0.58935%0.348SS*.Hα-helixtrans-63.6-41.6177-76.1176.3178.1173.20.6111.6C79 D80 I85 E86 Q87C79-R83 WeakPolarHBondContact O-CG 3.3Å; C79-R83 PolarHBondContact O-N 3.09Å; D80-R83 PolarHBondContact O-N 3.36Å; R83-I85 VanDerWaalsContact C-N 3.33Å; R83-I85 PolarHBondContact O-N 3.3Å; R83-E86 PolarHBondContact O-N 3.42Å; R83-Q87 WeakPolarHBondContact O-CG 3.4Å; R83-Q87 PolarHBondContact O-N 3.19Å
84L89.9Confident86.3Confident55 Ų5567.9 Ų67.929%0.28832%0.324SS..Hα-helixtrans-58.7-45176.5-177.662.5000111.4V23 D80 F81 Q87 K88V23-L84 HydrophobicContact CG1-CD1 4.45Å; V23-L84 HydrophobicContact CG1-CD2 4.24Å; V23-L84 HydrophobicContact CG1-CG 4.41Å; V23-L84 HydrophobicContact CG2-CD2 4.03Å; V23-L84 HydrophobicContact CG2-CG 4.07Å; D80-L84 WeakPolarHBondContact O-CB 3.33Å; D80-L84 PolarHBondContact O-N 3.29Å; F81-L84 HydrophobicContact CD1-CD2 4.4Å; F81-L84 PolarHBondContact O-N 2.98Å; L84-Q87 WeakPolarHBondContact O-CB 3.36Å; L84-Q87 PolarHBondContact O-N 3Å; L84-K88 PolarHBondContact O-N 3.13Å; L84-K88 VanDerWaalsContact O-N 3.12Å
85I89.1Confident86.1Confident0 Ų063.1 Ų63.10%030%0.298CS..Hα-helixtrans-64.2-45175.1-65.4161.1000111.3V19 L56 L59 R60 I63 F81 R82 R83 Q87 K88 M89V19-I85 HydrophobicContact CB-CD1 4.44Å; V19-I85 HydrophobicContact CG1-CD1 3.66Å; V19-I85 HydrophobicContact CG1-CG1 3.61Å; V19-I85 HydrophobicContact CG2-CD1 3.81Å; L56-I85 HydrophobicContact CB-CG1 4.45Å; L56-I85 HydrophobicContact CB-CG2 3.87Å; L56-I85 HydrophobicContact CD2-CG1 4.34Å; L59-I85 HydrophobicContact CB-CD1 4.44Å; R60-I85 HydrophobicContact CB-CB 4.26Å; R60-I85 HydrophobicContact CB-CD1 3.92Å; R60-I85 HydrophobicContact CB-CG2 3.77Å; R60-I85 HydrophobicContact CG-CB 4.45Å; R60-I85 HydrophobicContact CG-CG2 4.21Å; I63-I85 HydrophobicContact CD1-CD1 4.05Å; F81-I85 WeakPolarHBondContact O-CG1 3.5Å; F81-I85 PolarHBondContact O-N 2.96Å; R82-I85 PolarHBondContact O-N 2.79Å; R83-I85 VanDerWaalsContact C-N 3.33Å; R83-I85 PolarHBondContact O-N 3.3Å; I85-Q87 VanDerWaalsContact C-N 3.25Å; I85-Q87 PolarHBondContact O-N 2.67Å; I85-K88 PolarHBondContact O-N 3.47Å; I85-K88 VanDerWaalsContact O-N 3.16Å; I85-M89 HydrophobicContact CG2-CG 4.22Å; I85-M89 HydrophobicContact CG2-SD 4.24Å; I85-M89 WeakPolarHBondContact O-CG 3.42Å; I85-M89 PolarHBondContact O-N 3.41Å
86E89Confident85.8Confident70 Ų7062.7 Ų62.733%0.32730%0.297SS..Hα-helixtrans-58.5-37.3177.4-73.1170.1-174.400111.9R82 R83 M89 E90R82-E86 IonicContact CZ-OE1 3.74Å; R82-E86 IonicContact NE-OE1 3.74Å; R82-E86 PolarHBondContact NE-OE1 3.43Å; R82-E86 IonicContact NH2-OE1 3.01Å; R82-E86 PolarHBondContact NH2-OE1 3.02Å; R82-E86 WeakPolarHBondContact O-CG 3.5Å; R82-E86 PolarHBondContact O-N 3.26Å; R83-E86 PolarHBondContact O-N 3.42Å; E86-M89 WeakPolarHBondContact O-CB 3.46Å; E86-M89 PolarHBondContact O-N 3.41Å; E86-E90 PolarHBondContact O-N 3.33Å; E86-E90 VanDerWaalsContact O-N 3.09Å
87Q88.1Confident85.4Confident124 Ų12463.9 Ų63.958%0.57929%0.292SS*.Hα-helixtrans-63.4-47.4173.2-73.3173.2-18.500112.1R83 L84 I85 M89 E90 Q91R83-Q87 WeakPolarHBondContact O-CG 3.4Å; R83-Q87 PolarHBondContact O-N 3.19Å; L84-Q87 WeakPolarHBondContact O-CB 3.36Å; L84-Q87 PolarHBondContact O-N 3Å; I85-Q87 VanDerWaalsContact C-N 3.25Å; I85-Q87 PolarHBondContact O-N 2.67Å; Q87-M89 VanDerWaalsContact C-N 3.29Å; Q87-M89 PolarHBondContact O-N 3.16Å; Q87-E90 PolarHBondContact O-N 3.35Å; Q87-E90 VanDerWaalsContact O-N 3.13Å; Q87-Q91 PolarHBondContact O-N 3.2Å
88K87.3Confident84.6Confident19 Ų1961.7 Ų61.78%0.08328%0.282CS..Hα-helixtrans-63.2-36.1176.1-62-45.1-169.6-179.60112.3V23 F26 D27 I53 L56 L84 I85 E90 Q91 F92V23-K88 HydrophobicContact CG2-CG 4.23Å; F26-K88 HydrophobicContact CD1-CB 4.29Å; F26-K88 HydrophobicContact CD1-CD 3.81Å; F26-K88 HydrophobicContact CD1-CG 4.23Å; F26-K88 HydrophobicContact CE1-CB 4.24Å; F26-K88 HydrophobicContact CE1-CD 3.98Å; F26-K88 HydrophobicContact CZ-CB 4.44Å; D27-K88 WeakPolarHBondContact OD1-CE 3.33Å; D27-K88 IonicContact OD1-NZ 2.68Å; D27-K88 PolarHBondContact OD1-NZ 3.4Å; D27-K88 WeakPolarHBondContact OD2-CE 3.4Å; D27-K88 IonicContact OD2-NZ 2.6Å; D27-K88 PolarHBondContact OD2-NZ 2.92Å; I53-K88 HydrophobicContact CD1-CB 4.1Å; I53-K88 WeakPolarHBondContact CD1-O 3.33Å; L56-K88 HydrophobicContact CD1-CB 4.38Å; L84-K88 PolarHBondContact O-N 3.13Å; L84-K88 VanDerWaalsContact O-N 3.12Å; I85-K88 PolarHBondContact O-N 3.47Å; I85-K88 VanDerWaalsContact O-N 3.16Å; K88-E90 VanDerWaalsContact C-N 3.28Å; K88-E90 PolarHBondContact O-N 3.09Å; K88-Q91 PolarHBondContact O-N 2.88Å; K88-F92 PolarHBondContact O-N 2.82Å
89M87.2Confident83.7Confident30 Ų3063.6 Ų63.615%0.14829%0.294CS..Hα-helixtrans-61.1-38.9173.8-70.7-178.276.900111.5I53 Q57 I85 E86 Q87 K93I53-M89 HydrophobicContact CD1-CB 4.31Å; I53-M89 HydrophobicContact CD1-CG 3.89Å; I53-M89 HydrophobicContact CG1-CG 4Å; Q57-M89 HydrophobicContact CB-CE 4.28Å; Q57-M89 HydrophobicContact CB-SD 4.47Å; Q57-M89 HydrophobicContact CG-CE 3.89Å; Q57-M89 HydrophobicContact CG-SD 4.4Å; I85-M89 HydrophobicContact CG2-CG 4.22Å; I85-M89 HydrophobicContact CG2-SD 4.24Å; I85-M89 WeakPolarHBondContact O-CG 3.42Å; I85-M89 PolarHBondContact O-N 3.41Å; E86-M89 WeakPolarHBondContact O-CB 3.46Å; E86-M89 PolarHBondContact O-N 3.41Å; Q87-M89 VanDerWaalsContact C-N 3.29Å; Q87-M89 PolarHBondContact O-N 3.16Å; M89-K93 WeakPolarHBondContact O-CG 3.42Å; M89-K93 PolarHBondContact O-N 3.3Å
90E85.4Confident82.7Confident90 Ų9066.6 Ų66.642%0.42130%0.301SS..Hα-helixtrans-70.6-40.1176.3-161.358.3-142.800112E86 Q87 K88 F92 K93 I94E86-E90 PolarHBondContact O-N 3.33Å; E86-E90 VanDerWaalsContact O-N 3.09Å; Q87-E90 PolarHBondContact O-N 3.35Å; Q87-E90 VanDerWaalsContact O-N 3.13Å; K88-E90 VanDerWaalsContact C-N 3.28Å; K88-E90 PolarHBondContact O-N 3.09Å; E90-F92 VanDerWaalsContact C-N 3.33Å; E90-F92 PolarHBondContact O-N 2.72Å; E90-K93 WeakPolarHBondContact O-CB 3.49Å; E90-K93 PolarHBondContact O-N 3.08Å; E90-K93 WeakPolarHBondContact OE2-CD 3.48Å; E90-K93 WeakPolarHBondContact OE2-CE 3.49Å; E90-K93 IonicContact OE2-NZ 2.76Å; E90-K93 PolarHBondContact OE2-NZ 3.49Å; E90-I94 PolarHBondContact O-N 3.3Å
91Q84.7Confident81.3Confident63 Ų6366.6 Ų66.629%0.29431%0.305SS..Hα-helixtrans-56.8-47.2172-69.3-173.9-63.500111.1F26 W30 Q87 K88 K93 I94 V95F26-Q91 HydrophobicContact CE1-CB 4.15Å; F26-Q91 HydrophobicContact CZ-CB 4.21Å; W30-Q91 HydrophobicContact CE3-CB 4.49Å; W30-Q91 HydrophobicContact CH2-CB 4Å; W30-Q91 WeakPolarHBondContact CH2-O 3.48Å; W30-Q91 HydrophobicContact CZ3-CB 3.98Å; W30-Q91 WeakPolarHBondContact CZ3-O 3.28Å; Q87-Q91 PolarHBondContact O-N 3.2Å; K88-Q91 PolarHBondContact O-N 2.88Å; Q91-K93 VanDerWaalsContact C-N 3.3Å; Q91-K93 PolarHBondContact O-N 3.1Å; Q91-I94 WeakPolarHBondContact O-CB 3.4Å; Q91-I94 PolarHBondContact O-N 2.83Å; Q91-I94 VanDerWaalsContact O-N 3.09Å; Q91-V95 PolarHBondContact O-N 3.26Å
92F88.1Confident79.7Confident18 Ų1869.6 Ų69.68%0.07932%0.318CS..Hα-helixtrans-61-35.4177.9-177.4-102.6000113.3F26 L49 K50 I53 K88 E90 I94 V95 E96F26-F92 HydrophobicContact CE2-CB 4.06Å; F26-F92 HydrophobicContact CE2-CD2 4.43Å; F26-F92 HydrophobicContact CZ-CB 4.08Å; L49-F92 HydrophobicContact CB-CD2 3.77Å; L49-F92 HydrophobicContact CB-CE2 3.69Å; K50-F92 HydrophobicContact CB-CE2 3.99Å; K50-F92 HydrophobicContact CB-CZ 3.58Å; K50-F92 HydrophobicContact CG-CE1 4.44Å; K50-F92 HydrophobicContact CG-CZ 3.85Å; I53-F92 HydrophobicContact CB-CB 4.4Å; I53-F92 HydrophobicContact CB-CD1 4.35Å; I53-F92 HydrophobicContact CB-CG 4.15Å; I53-F92 HydrophobicContact CD1-CB 4.07Å; I53-F92 HydrophobicContact CG1-CB 3.97Å; I53-F92 HydrophobicContact CG1-CD1 4.33Å; I53-F92 HydrophobicContact CG1-CG 4.17Å; I53-F92 HydrophobicContact CG2-CD1 3.71Å; I53-F92 HydrophobicContact CG2-CD2 4.37Å; I53-F92 HydrophobicContact CG2-CE1 3.9Å; I53-F92 HydrophobicContact CG2-CG 3.96Å; I53-F92 HydrophobicContact CG2-CZ 4.31Å; K88-F92 PolarHBondContact O-N 2.82Å; E90-F92 VanDerWaalsContact C-N 3.33Å; E90-F92 PolarHBondContact O-N 2.72Å; F92-I94 PolarHBondContact O-N 3.45Å; F92-V95 PolarHBondContact O-N 3.05Å; F92-E96 HydrophobicContact CE1-CB 4.15Å; F92-E96 HydrophobicContact CE1-CG 4.31Å; F92-E96 HydrophobicContact CZ-CB 4.44Å; F92-E96 WeakPolarHBondContact O-CB 3.41Å; F92-E96 PolarHBondContact O-N 3.06Å
93K85.3Confident77.8Confident98 Ų9868.5 Ų68.543%0.42633%0.326SS..Hα-helixtrans-62.7-31.1176.4-73.1178-162162.10112.9M89 E90 Q91 R97M89-K93 WeakPolarHBondContact O-CG 3.42Å; M89-K93 PolarHBondContact O-N 3.3Å; E90-K93 WeakPolarHBondContact O-CB 3.49Å; E90-K93 PolarHBondContact O-N 3.08Å; E90-K93 WeakPolarHBondContact OE2-CD 3.48Å; E90-K93 WeakPolarHBondContact OE2-CE 3.49Å; E90-K93 IonicContact OE2-NZ 2.76Å; E90-K93 PolarHBondContact OE2-NZ 3.49Å; Q91-K93 VanDerWaalsContact C-N 3.3Å; Q91-K93 PolarHBondContact O-N 3.1Å; K93-R97 WeakPolarHBondContact O-CB 3.21Å; K93-R97 PolarHBondContact O-N 3.36Å
94I76.2Confident75.2Confident75 Ų7571 Ų7139%0.38534%0.337SS..Hα-helixtrans-64.9-50.9176.5-61.1170.4000109.2E90 Q91 F92 R97 E98E90-I94 PolarHBondContact O-N 3.3Å; Q91-I94 WeakPolarHBondContact O-CB 3.4Å; Q91-I94 PolarHBondContact O-N 2.83Å; Q91-I94 VanDerWaalsContact O-N 3.09Å; F92-I94 PolarHBondContact O-N 3.45Å; I94-R97 WeakPolarHBondContact O-CB 3.41Å; I94-R97 PolarHBondContact O-N 2.85Å; I94-E98 PolarHBondContact O-N 3.44Å
95V75.6Confident73Confident2 Ų271 Ų711%0.01234%0.341CS..Hα-helixtrans-62.8-44.5177.1164.80000111.5W30 E46 L49 Q91 F92 R97 E98 T99W30-V95 HydrophobicContact CE3-CG2 4.02Å; W30-V95 HydrophobicContact CH2-CB 4.29Å; W30-V95 HydrophobicContact CH2-CG2 3.3Å; W30-V95 HydrophobicContact CZ2-CG2 4.15Å; W30-V95 HydrophobicContact CZ3-CB 3.96Å; W30-V95 HydrophobicContact CZ3-CG2 3.21Å; E46-V95 HydrophobicContact CG-CG1 3.8Å; L49-V95 HydrophobicContact CD1-CG1 4.46Å; Q91-V95 PolarHBondContact O-N 3.26Å; F92-V95 PolarHBondContact O-N 3.05Å; V95-R97 PolarHBondContact O-N 3.29Å; V95-E98 PolarHBondContact O-N 3.23Å; V95-E98 VanDerWaalsContact O-N 3.1Å; V95-T99 PolarHBondContact O-N 2.92Å; V95-T99 PolarHBondContact O-OG1 2.85Å
96E78.3Confident70.9Confident59 Ų5977.2 Ų77.228%0.27637%0.368SS..Hα-helixtrans-60.8-34.7178.7-158.9-164.5-147.200112F92 K100F92-E96 HydrophobicContact CE1-CB 4.15Å; F92-E96 HydrophobicContact CE1-CG 4.31Å; F92-E96 HydrophobicContact CZ-CB 4.44Å; F92-E96 WeakPolarHBondContact O-CB 3.41Å; F92-E96 PolarHBondContact O-N 3.06Å; E96-K100 HydrophobicContact CG-CD 4.26Å; E96-K100 WeakPolarHBondContact O-CB 3.2Å; E96-K100 VanDerWaalsContact O-CG 3.25Å; E96-K100 WeakPolarHBondContact O-CG 3.39Å; E96-K100 PolarHBondContact O-N 3.28Å; E96-K100 IonicContact OE1-NZ 3.08Å; E96-K100 PolarHBondContact OE1-NZ 2.87Å; E96-K100 VanDerWaalsContact OE1-NZ 3.08Å; E96-K100 IonicContact OE2-NZ 2.75Å; E96-K100 PolarHBondContact OE2-NZ 3.43Å
97R74.4Confident68.7Low108 Ų10883.2 Ų83.241%0.40840%0.396SS..Hα-helixtrans-67.6-46.6174.5-169.7-176.9-62.4154.16.9111K93 I94 V95 T99 K100 T101 Q130K93-R97 WeakPolarHBondContact O-CB 3.21Å; K93-R97 PolarHBondContact O-N 3.36Å; I94-R97 WeakPolarHBondContact O-CB 3.41Å; I94-R97 PolarHBondContact O-N 2.85Å; V95-R97 PolarHBondContact O-N 3.29Å; R97-T99 VanDerWaalsContact C-N 3.31Å; R97-T99 PolarHBondContact O-N 3.42Å; R97-K100 PolarHBondContact O-N 3.01Å; R97-T101 PolarHBondContact O-N 3.35Å; R97-T101 PolarHBondContact O-OG1 2.86Å; R97-Q130 VanDerWaalsContact NH1-NE2 3.15Å
98E69.8Low66.1Low71 Ų7178.9 Ų78.933%0.33239%0.385SS..Hα-helixtrans-58.7-42.2176.2-71.9-171.8-167.200112.5K42 I94 V95 K102K42-E98 IonicContact NZ-OE2 3.75Å; I94-E98 PolarHBondContact O-N 3.44Å; V95-E98 PolarHBondContact O-N 3.23Å; V95-E98 VanDerWaalsContact O-N 3.1Å; E98-K102 VanDerWaalsContact O-CB 3.32Å; E98-K102 WeakPolarHBondContact O-CB 3.2Å; E98-K102 VanDerWaalsContact O-CG 3.22Å; E98-K102 WeakPolarHBondContact O-CG 3.35Å; E98-K102 PolarHBondContact O-N 3.5Å; E98-K102 IonicContact OE2-NZ 3.6Å
99T67.6Low63.8Low43 Ų4384.2 Ų84.226%0.26441%0.414SS..Hα-helixtrans-65.4-44.8177.8-500000111.2E46 V95 R97 T101 K102 A103E46-T99 PolarHBondContact OE1-OG1 3.38Å; E46-T99 WeakPolarHBondContact OE2-CB 3.47Å; E46-T99 WeakPolarHBondContact OE2-CG2 3.31Å; E46-T99 PolarHBondContact OE2-OG1 2.76Å; V95-T99 PolarHBondContact O-N 2.92Å; V95-T99 PolarHBondContact O-OG1 2.85Å; R97-T99 VanDerWaalsContact C-N 3.31Å; R97-T99 PolarHBondContact O-N 3.42Å; T99-T101 PolarHBondContact O-N 3.07Å; T99-K102 PolarHBondContact O-N 3.49Å; T99-A103 WeakPolarHBondContact O-CB 3.49Å; T99-A103 PolarHBondContact O-N 3.35Å
100K66.6Low61.3Low111 Ų11186.4 Ų86.448%0.48344%0.444SS..Hα-helixtrans-65.6-38.8179.4-75.1171.8-179.6168.70112E96 R97 A103 Y104E96-K100 HydrophobicContact CG-CD 4.26Å; E96-K100 WeakPolarHBondContact O-CB 3.2Å; E96-K100 VanDerWaalsContact O-CG 3.25Å; E96-K100 WeakPolarHBondContact O-CG 3.39Å; E96-K100 PolarHBondContact O-N 3.28Å; E96-K100 IonicContact OE1-NZ 3.08Å; E96-K100 PolarHBondContact OE1-NZ 2.87Å; E96-K100 VanDerWaalsContact OE1-NZ 3.08Å; E96-K100 IonicContact OE2-NZ 2.75Å; E96-K100 PolarHBondContact OE2-NZ 3.43Å; R97-K100 PolarHBondContact O-N 3.01Å; K100-A103 PolarHBondContact O-N 3.38Å; K100-Y104 PolarHBondContact O-N 2.77Å
101T57Low59Low88 Ų8885.6 Ų85.654%0.5445%0.449SS..Hα-helixtrans-67.7-38174.3-54.20000111.4R97 T99 S105R97-T101 PolarHBondContact O-N 3.35Å; R97-T101 PolarHBondContact O-OG1 2.86Å; T99-T101 PolarHBondContact O-N 3.07Å; T101-S105 PolarHBondContact O-N 2.58Å
102K55.7Low56.7Low102 Ų10292.1 Ų92.144%0.44348%0.479SS..Hα-helixtrans-72.4-29.8175.6-73.4170.1-178.5167.70113.9E98 T99 S105 K106E98-K102 VanDerWaalsContact O-CB 3.32Å; E98-K102 WeakPolarHBondContact O-CB 3.2Å; E98-K102 VanDerWaalsContact O-CG 3.22Å; E98-K102 WeakPolarHBondContact O-CG 3.35Å; E98-K102 PolarHBondContact O-N 3.5Å; E98-K102 IonicContact OE2-NZ 3.6Å; T99-K102 PolarHBondContact O-N 3.49Å; K102-S105 PolarHBondContact O-N 3.01Å; K102-S105 PolarHBondContact O-OG 2.96Å; K102-K106 PolarHBondContact O-N 3.16Å
103A50.8Low54.7Low57 Ų5798.7 Ų98.747%0.47151%0.51SS..Hα-helixtrans-71.7-37.6176.500000111.7T99 K100 S105 K106 Q107T99-A103 WeakPolarHBondContact O-CB 3.49Å; T99-A103 PolarHBondContact O-N 3.35Å; K100-A103 PolarHBondContact O-N 3.38Å; A103-S105 VanDerWaalsContact C-N 3.32Å; A103-K106 PolarHBondContact O-N 2.86Å; A103-Q107 PolarHBondContact O-N 3.23Å
104Y32.3Very low52.9Low209 Ų209103.9 Ų103.982%0.8253%0.533SS*.Hα-helixtrans-67.7-31.6171.9-100.2-92000112.4K100K100-Y104 PolarHBondContact O-N 2.77Å
105S44.5Very low51.8Low53 Ų53104.5 Ų104.537%0.37154%0.539SS..Hα-helixtrans-75.8-33.1175.172.60000113.3T101 K102 A103 G108 L109T101-S105 PolarHBondContact O-N 2.58Å; K102-S105 PolarHBondContact O-N 3.01Å; K102-S105 PolarHBondContact O-OG 2.96Å; A103-S105 VanDerWaalsContact C-N 3.32Å; S105-G108 PolarHBondContact O-N 2.92Å; S105-L109 WeakPolarHBondContact O-CB 3.49Å; S105-L109 WeakPolarHBondContact O-CD1 3.28Å; S105-L109 WeakPolarHBondContact O-CG 3.42Å; S105-L109 PolarHBondContact O-N 2.96Å
106K45.3Very low51.3Low132 Ų132108.4 Ų108.457%0.57456%0.56SS**Hα-helixtrans-78.5-20-177.8-90.3-172.5173.3-175.40116.5K102 A103K102-K106 PolarHBondContact O-N 3.16Å; A103-K106 PolarHBondContact O-N 2.86Å
107Q41.5Very low51.1Low195 Ų195110.5 Ų110.591%0.91158%0.579SS**THydrogen-bonded Turntrans-87.9-6171.6-109177.7-17.600113.6A103A103-Q107 PolarHBondContact O-N 3.23Å
108G35.3Very low51Low34 Ų34112.7 Ų112.735%0.35159%0.592SS.*THydrogen-bonded Turntrans-108-8.6176.600000115.2S105 G110S105-G108 PolarHBondContact O-N 2.92Å; G108-G110 VanDerWaalsContact C-N 3.34Å; G108-G110 PolarHBondContact O-N 3.4Å
109L37.6Very low51.1Low130 Ų130115.2 Ų115.268%0.68160%0.604SS**THydrogen-bonded Turntrans-97.157.9-173.9-70.4168.1000112.5S105S105-L109 WeakPolarHBondContact O-CB 3.49Å; S105-L109 WeakPolarHBondContact O-CD1 3.28Å; S105-L109 WeakPolarHBondContact O-CG 3.42Å; S105-L109 PolarHBondContact O-N 2.96Å
110G35.4Very low51.3Low77 Ų77119 Ų11979%0.79462%0.616SS**THydrogen-bonded Turntrans-113.17.5148.400000111.5G108G108-G110 VanDerWaalsContact C-N 3.34Å; G108-G110 PolarHBondContact O-N 3.4Å
111S36.6Very low51.6Low73 Ų73118.5 Ų118.551%0.5162%0.615SS.*SBendtrans-151.8122.6-179.5-550000108.8Q113S111-Q113 PolarHBondContact O-N 3.16Å
112E37.3Very low52.5Low199 Ų199116.8 Ų116.893%0.9360%0.601SS**  trans-64.275.5169.7-155.6166-154.700108.2K114E112-K114 PolarHBondContact O-N 2.92Å
113Q45.1Very low53.3Low156 Ų156117.8 Ų117.873%0.72961%0.607SS**  trans-77.4114.2176.3-79-175.4-16.200107.9S111 V115S111-Q113 PolarHBondContact O-N 3.16Å; Q113-V115 PolarHBondContact O-N 3.47Å
114K49Very low54.3Low208 Ų208119.9 Ų119.990%0.90461%0.61SS**  trans-47.9101168.8-67.2174.5177.2177.10109.2E112 D116E112-K114 PolarHBondContact O-N 2.92Å; K114-D116 PolarHBondContact O-N 3.08Å
115V51.9Low56.3Low87 Ų87110 Ų11053%0.52757%0.572SS.*  trans-60127.8171.8178.80000107.8Q113 E119 K120Q113-V115 PolarHBondContact O-N 3.47Å; V115-E119 HydrophobicContact CG1-CB 4.23Å; V115-K120 HydrophobicContact CG1-CB 4.19Å
116D66.1Low57.7Low84 Ų84108.8 Ų108.845%0.44956%0.561SS.*  trans-54125.7175-176.8-25.6000108.5K114 K118 E119 K120K114-D116 PolarHBondContact O-N 3.08Å; D116-K118 PolarHBondContact O-N 3.24Å; D116-K118 WeakPolarHBondContact OD1-CB 3.42Å; D116-K118 PolarHBondContact OD1-N 3.39Å; D116-E119 HydrophobicContact CB-CG 4.41Å; D116-E119 PolarHBondContact O-N 3.36Å; D116-K120 PolarHBondContact O-N 2.95Å
117P72.7Confident58.9Low103 Ų103103.9 Ų103.967%0.66955%0.547SS*.Hα-helixtrans-46.4-32176.8-30.235.2000114.2E121P117-E121 PolarHBondContact O-N 3.11Å
118K72.7Confident60.4Low154 Ų15499 Ų9967%0.6752%0.521SS*.Hα-helixtrans-70.1-37.3177.5-67.5-179.3178.9176.60113.5D116 K122D116-K118 PolarHBondContact O-N 3.24Å; D116-K118 WeakPolarHBondContact OD1-CB 3.42Å; D116-K118 PolarHBondContact OD1-N 3.39Å; K118-K122 PolarHBondContact O-N 3.34Å; K118-K122 VanDerWaalsContact O-N 3.13Å
119E71.4Confident62.1Low125 Ų12597.5 Ų97.558%0.58450%0.504SS*.Hα-helixtrans-71.7-40.4177.1-72.6-156.9140.200111V115 D116 E121 K122 E123V115-E119 HydrophobicContact CG1-CB 4.23Å; D116-E119 HydrophobicContact CB-CG 4.41Å; D116-E119 PolarHBondContact O-N 3.36Å; E119-E121 VanDerWaalsContact C-N 3.35Å; E119-E121 PolarHBondContact O-N 3.12Å; E119-K122 WeakPolarHBondContact O-CB 3.36Å; E119-K122 PolarHBondContact O-N 3.17Å; E119-K122 VanDerWaalsContact O-N 3.14Å; E119-E123 WeakPolarHBondContact O-CG 3.36Å; E119-E123 PolarHBondContact O-N 3.45Å
120K72.3Confident63.6Low122 Ų12293.9 Ų93.953%0.5348%0.484SS..Hα-helixtrans-58.9-45173.3-174.4175-180176.10112.1V115 D116 K122 E123 D124V115-K120 HydrophobicContact CG1-CB 4.19Å; D116-K120 PolarHBondContact O-N 2.95Å; K120-K122 VanDerWaalsContact C-N 3.29Å; K120-K122 PolarHBondContact O-N 2.79Å; K120-E123 PolarHBondContact O-N 3Å; K120-D124 PolarHBondContact O-N 3.09Å
121E74.1Confident65.1Low100 Ų10093.6 Ų93.647%0.46747%0.467SS..Hα-helixtrans-61.3-38.7176.4-159.2-163.3166.500111.9P117 E119 V125 V192P117-E121 PolarHBondContact O-N 3.11Å; E119-E121 VanDerWaalsContact C-N 3.35Å; E119-E121 PolarHBondContact O-N 3.12Å; E121-V125 WeakPolarHBondContact O-CG2 3.19Å; E121-V125 PolarHBondContact O-N 2.82Å; E121-V125 VanDerWaalsContact O-N 3.09Å; E121-V192 HydrophobicContact CG-CG1 3.85Å
122K74.9Confident66.5Low52 Ų5291.2 Ų91.223%0.22645%0.449CS..Hα-helixtrans-64.8-44.6175.6-176179.8175.5177.90111.3K118 E119 K120 V125 I126 L185 N186 S188 V192K118-K122 PolarHBondContact O-N 3.34Å; K118-K122 VanDerWaalsContact O-N 3.13Å; E119-K122 WeakPolarHBondContact O-CB 3.36Å; E119-K122 PolarHBondContact O-N 3.17Å; E119-K122 VanDerWaalsContact O-N 3.14Å; K120-K122 VanDerWaalsContact C-N 3.29Å; K120-K122 PolarHBondContact O-N 2.79Å; K122-V125 PolarHBondContact O-N 3.03Å; K122-I126 HydrophobicContact CG-CD1 3.94Å; K122-I126 WeakPolarHBondContact O-CB 3.47Å; K122-I126 VanDerWaalsContact O-CG1 3.25Å; K122-I126 WeakPolarHBondContact O-CG1 3.4Å; K122-I126 PolarHBondContact O-N 2.89Å; K122-L185 WeakPolarHBondContact CE-O 3.36Å; K122-L185 HydrophobicContact CG-CD1 4.25Å; K122-L185 HydrophobicContact CG-CG 4.28Å; K122-L185 PolarHBondContact NZ-O 3.22Å; K122-N186 PolarHBondContact NZ-O 3.21Å; K122-S188 PolarHBondContact NZ-OG 3.43Å; K122-V192 HydrophobicContact CB-CG2 3.9Å; K122-V192 HydrophobicContact CG-CG2 4.34Å
123E72.5Confident67.9Low123 Ų12383 Ų8358%0.57541%0.414SS*.Hα-helixtrans-62.3-44.9176.6-73.4-172.315700112.3E119 K120 V125 I126 G127E119-E123 WeakPolarHBondContact O-CG 3.36Å; E119-E123 PolarHBondContact O-N 3.45Å; K120-E123 PolarHBondContact O-N 3Å; E123-V125 VanDerWaalsContact C-N 3.31Å; E123-V125 PolarHBondContact O-N 2.97Å; E123-I126 WeakPolarHBondContact O-CB 3.4Å; E123-I126 PolarHBondContact O-N 3.04Å; E123-G127 PolarHBondContact O-N 3.2Å
124D72.8Confident68.7Low101 Ų10181.1 Ų81.154%0.5441%0.408SS..Hα-helixtrans-59.2-43.1176.9-74-20.5000111.2K120 G127 W128K120-D124 PolarHBondContact O-N 3.09Å; D124-G127 PolarHBondContact O-N 3.38Å; D124-W128 WeakPolarHBondContact O-CB 3.43Å; D124-W128 PolarHBondContact O-N 3.38Å
125V72.7Confident69Low2 Ų277 Ų771%0.01239%0.39CS..Hα-helixtrans-71.9-34177.7172.50000112.3E121 K122 E123 W128 L129 L185 V192 V195E121-V125 WeakPolarHBondContact O-CG2 3.19Å; E121-V125 PolarHBondContact O-N 2.82Å; E121-V125 VanDerWaalsContact O-N 3.09Å; K122-V125 PolarHBondContact O-N 3.03Å; E123-V125 VanDerWaalsContact C-N 3.31Å; E123-V125 PolarHBondContact O-N 2.97Å; V125-W128 HydrophobicContact CG1-CE3 4.4Å; V125-W128 PolarHBondContact O-N 2.81Å; V125-L129 HydrophobicContact CG1-CD1 4.36Å; V125-L129 HydrophobicContact CG1-CG 4.46Å; V125-L129 WeakPolarHBondContact O-CB 3.32Å; V125-L129 VanDerWaalsContact O-CG 3.3Å; V125-L129 WeakPolarHBondContact O-CG 3.14Å; V125-L129 PolarHBondContact O-N 3.4Å; V125-L185 HydrophobicContact CB-CD2 4.34Å; V125-L185 HydrophobicContact CG1-CD2 3.75Å; V125-V192 HydrophobicContact CB-CG1 3.88Å; V125-V192 HydrophobicContact CG1-CG1 4.3Å; V125-V192 HydrophobicContact CG2-CG1 3.39Å; V125-V195 HydrophobicContact CG1-CB 3.94Å; V125-V195 HydrophobicContact CG1-CG1 3.52Å; V125-V195 HydrophobicContact CG1-CG2 4.35Å
126I73.9Confident69.3Low28 Ų2873.1 Ų73.114%0.14437%0.367CS..Hα-helixtrans-62.3-48171.4-75.9165.6000110.4K122 E123 W128 L129 Q130 L182 L185 N186K122-I126 HydrophobicContact CG-CD1 3.94Å; K122-I126 WeakPolarHBondContact O-CB 3.47Å; K122-I126 VanDerWaalsContact O-CG1 3.25Å; K122-I126 WeakPolarHBondContact O-CG1 3.4Å; K122-I126 PolarHBondContact O-N 2.89Å; E123-I126 WeakPolarHBondContact O-CB 3.4Å; E123-I126 PolarHBondContact O-N 3.04Å; I126-W128 VanDerWaalsContact C-N 3.34Å; I126-W128 PolarHBondContact O-N 2.83Å; I126-L129 PolarHBondContact O-N 2.89Å; I126-Q130 WeakPolarHBondContact O-CG 3.34Å; I126-Q130 PolarHBondContact O-N 3.38Å; I126-L182 HydrophobicContact CB-CD1 4.27Å; I126-L182 HydrophobicContact CG1-CD1 4.07Å; I126-L182 HydrophobicContact CG2-CD1 3.95Å; I126-L185 HydrophobicContact CG1-CD2 3.68Å; I126-L185 HydrophobicContact CG1-CG 4.24Å; I126-N186 VanDerWaalsContact CD1-OD1 3.24Å; I126-N186 WeakPolarHBondContact CD1-OD1 3.25Å
127G70.9Confident68.7Low28 Ų2871.9 Ų71.929%0.28936%0.363SS..Hα-helixtrans-59.1-46.8176.300000111.3E123 D124 L129 Q130 V131E123-G127 PolarHBondContact O-N 3.2Å; D124-G127 PolarHBondContact O-N 3.38Å; G127-L129 PolarHBondContact O-N 3.17Å; G127-Q130 PolarHBondContact O-N 3.43Å; G127-V131 VanDerWaalsContact O-CG2 3.3Å; G127-V131 WeakPolarHBondContact O-CG2 3.5Å; G127-V131 PolarHBondContact O-N 2.85Å
128W73.7Confident67.6Low94 Ų9472 Ų7236%0.35636%0.357SS..Hα-helixtrans-58.9-43.4174.6175.373.7000112.9D124 V125 I126 T132 V195 R196 V199D124-W128 WeakPolarHBondContact O-CB 3.43Å; D124-W128 PolarHBondContact O-N 3.38Å; V125-W128 HydrophobicContact CG1-CE3 4.4Å; V125-W128 PolarHBondContact O-N 2.81Å; I126-W128 VanDerWaalsContact C-N 3.34Å; I126-W128 PolarHBondContact O-N 2.83Å; W128-T132 VanDerWaalsContact O-CB 3.24Å; W128-T132 WeakPolarHBondContact O-CB 3.32Å; W128-T132 PolarHBondContact O-N 3.49Å; W128-T132 PolarHBondContact O-OG1 2.85Å; W128-V195 HydrophobicContact CZ3-CG1 4.33Å; W128-R196 HydrophobicContact CZ3-CG 4.37Å; W128-V199 HydrophobicContact CH2-CB 3.56Å; W128-V199 HydrophobicContact CH2-CG1 3.34Å; W128-V199 HydrophobicContact CH2-CG2 3.98Å; W128-V199 HydrophobicContact CZ2-CG1 4.08Å; W128-V199 HydrophobicContact CZ3-CB 3.93Å; W128-V199 HydrophobicContact CZ3-CG1 4Å; W128-V199 HydrophobicContact CZ3-CG2 3.8Å
129L71.3Confident66.4Low1 Ų165.2 Ų65.21%0.00533%0.329CS..Hα-helixtrans-64.9-39.9176.9-79.7173.4000112.5V125 I126 G127 T132 S133 L178 I181 L182 L185 V195 V199V125-L129 HydrophobicContact CG1-CD1 4.36Å; V125-L129 HydrophobicContact CG1-CG 4.46Å; V125-L129 WeakPolarHBondContact O-CB 3.32Å; V125-L129 VanDerWaalsContact O-CG 3.3Å; V125-L129 WeakPolarHBondContact O-CG 3.14Å; V125-L129 PolarHBondContact O-N 3.4Å; I126-L129 PolarHBondContact O-N 2.89Å; G127-L129 PolarHBondContact O-N 3.17Å; L129-T132 PolarHBondContact O-N 3.4Å; L129-S133 WeakPolarHBondContact O-CB 3.4Å; L129-S133 PolarHBondContact O-N 3.02Å; L129-L178 HydrophobicContact CD2-CD2 4.18Å; L129-I181 HydrophobicContact CD1-CG2 4Å; L129-I181 HydrophobicContact CD2-CG2 4.12Å; L129-L182 HydrophobicContact CB-CD1 4.16Å; L129-L182 HydrophobicContact CD1-CB 4.27Å; L129-L182 HydrophobicContact CD1-CD1 4.05Å; L129-L185 HydrophobicContact CD1-CD2 3.84Å; L129-V195 HydrophobicContact CD1-CG1 3.87Å; L129-V195 HydrophobicContact CD2-CG1 4.1Å; L129-V195 HydrophobicContact CG-CG1 4.17Å; L129-V199 HydrophobicContact CD2-CG2 3.56Å
130Q68.5Low65.2Low55 Ų5561.2 Ų61.226%0.25731%0.314SS..Hα-helixtrans-65.6-47.3178.1-73.1174.50.800111R97 I126 G127 S133 I134 L182R97-Q130 VanDerWaalsContact NH1-NE2 3.15Å; I126-Q130 WeakPolarHBondContact O-CG 3.34Å; I126-Q130 PolarHBondContact O-N 3.38Å; G127-Q130 PolarHBondContact O-N 3.43Å; Q130-S133 PolarHBondContact O-N 3.4Å; Q130-I134 VanDerWaalsContact O-CG1 3.3Å; Q130-I134 WeakPolarHBondContact O-CG1 3.43Å; Q130-I134 PolarHBondContact O-N 3.23Å; Q130-L182 HydrophobicContact CG-CD2 4.08Å
131V66.6Low64Low71 Ų7159.3 Ų59.343%0.4331%0.309SS..Hα-helixtrans-57.8-50.5171.8172.90000109.3G127 S133 I134 F135G127-V131 VanDerWaalsContact O-CG2 3.3Å; G127-V131 WeakPolarHBondContact O-CG2 3.5Å; G127-V131 PolarHBondContact O-N 2.85Å; V131-S133 PolarHBondContact O-N 3.3Å; V131-I134 PolarHBondContact O-N 3.12Å; V131-I134 VanDerWaalsContact O-N 3.09Å; V131-F135 HydrophobicContact CB-CD2 4.32Å; V131-F135 HydrophobicContact CG1-CD2 3.47Å; V131-F135 VanDerWaalsContact CG1-CD2 3.47Å; V131-F135 HydrophobicContact CG1-CE2 3.88Å; V131-F135 HydrophobicContact CG1-CG 4.46Å; V131-F135 WeakPolarHBondContact O-CB 3.32Å; V131-F135 WeakPolarHBondContact O-CD2 3.22Å; V131-F135 PolarHBondContact O-N 3Å
132T66.6Low62.6Low22 Ų2259.9 Ų59.914%0.13531%0.31CS..Hα-helixtrans-60-31.2178.6-55.50000112.6W128 L129 C136 L178W128-T132 VanDerWaalsContact O-CB 3.24Å; W128-T132 WeakPolarHBondContact O-CB 3.32Å; W128-T132 PolarHBondContact O-N 3.49Å; W128-T132 PolarHBondContact O-OG1 2.85Å; L129-T132 PolarHBondContact O-N 3.4Å; T132-C136 WeakPolarHBondContact O-CA 3.46Å; T132-C136 WeakPolarHBondContact O-CB 3.31Å; T132-C136 PolarHBondContact O-N 3.4Å; T132-L178 HydrophobicContact CG2-CD1 3.99Å; T132-L178 HydrophobicContact CG2-CD2 4.32Å
133S66.2Low61Low28 Ų2865 Ų6520%0.19634%0.339CS..Hα-helixtrans-75.2-35.8176.3-170.30000112.8L129 Q130 V131L129-S133 WeakPolarHBondContact O-CB 3.4Å; L129-S133 PolarHBondContact O-N 3.02Å; Q130-S133 PolarHBondContact O-N 3.4Å; V131-S133 PolarHBondContact O-N 3.3Å
134I61.5Low59.5Low116 Ų11664.1 Ų64.160%0.59533%0.333SS*.Hα-helixtrans-73.3-45.9177.1-66.5163.5000110.2Q130 V131 C136Q130-I134 VanDerWaalsContact O-CG1 3.3Å; Q130-I134 WeakPolarHBondContact O-CG1 3.43Å; Q130-I134 PolarHBondContact O-N 3.23Å; V131-I134 PolarHBondContact O-N 3.12Å; V131-I134 VanDerWaalsContact O-N 3.09Å; I134-C136 VanDerWaalsContact C-N 3.34Å
135F56.1Low57.6Low122 Ų12271.2 Ų71.254%0.53535%0.352SS..SBendtrans-91.63.6-178-66.8-82.4000112.7V131 P137 M221V131-F135 HydrophobicContact CB-CD2 4.32Å; V131-F135 HydrophobicContact CG1-CD2 3.47Å; V131-F135 VanDerWaalsContact CG1-CD2 3.47Å; V131-F135 HydrophobicContact CG1-CE2 3.88Å; V131-F135 HydrophobicContact CG1-CG 4.46Å; V131-F135 WeakPolarHBondContact O-CB 3.32Å; V131-F135 WeakPolarHBondContact O-CD2 3.22Å; V131-F135 PolarHBondContact O-N 3Å; F135-P137 WeakPolarHBondContact O-CA 3.35Å; F135-P137 VanDerWaalsContact O-CD 3.25Å; F135-P137 WeakPolarHBondContact O-CD 3.48Å; F135-M221 HydrophobicContact CZ-CE 4.34Å
136C59Low56Low5 Ų576.1 Ų76.13%0.03438%0.384CS..SBendtrans-51.7112.1167.8-177.30000104.7T132 I134 L138 H171 V175 L178T132-C136 WeakPolarHBondContact O-CA 3.46Å; T132-C136 WeakPolarHBondContact O-CB 3.31Å; T132-C136 PolarHBondContact O-N 3.4Å; I134-C136 VanDerWaalsContact C-N 3.34Å; C136-L138 PolarHBondContact O-N 3.01Å; C136-H171 PolarHBondContact O-CD2 3.5Å; C136-H171 PolarHBondContact O-NE2 2.97Å; C136-V175 HydrophobicContact CB-CG2 4.11Å; C136-L178 HydrophobicContact CB-CD1 4.31Å
137P52.1Low54.3Low58 Ų5885 Ų8538%0.37742%0.422SS..  trans-61105.3-150.64.1-14.3000109.6F135 P139 H171 V208 W210F135-P137 WeakPolarHBondContact O-CA 3.35Å; F135-P137 VanDerWaalsContact O-CD 3.25Å; F135-P137 WeakPolarHBondContact O-CD 3.48Å; P137-P139 WeakPolarHBondContact O-CD 3.4Å; P137-H171 PolarHBondContact O-CD2 3.07Å; P137-H171 VanDerWaalsContact O-CD2 3.31Å; P137-V208 HydrophobicContact CG-CG1 3.96Å; P137-W210 HydrophobicContact CB-CZ3 4.25Å
138L49.7Very low52.9Low104 Ų10487 Ų8755%0.54543%0.428SS..  trans-60.1127.1161.7-78.8167000104.8C136C136-L138 PolarHBondContact O-N 3.01Å
139P47.8Very low51.2Low13 Ų1391.9 Ų91.98%0.08445%0.452CS..  trans-51132.1177.8-25.332.2000109P137 I141 F142 L167P137-P139 WeakPolarHBondContact O-CD 3.4Å; P139-I141 HydrophobicContact CB-CB 4.38Å; P139-I141 HydrophobicContact CB-CG2 4.27Å; P139-I141 PolarHBondContact O-N 3.13Å; P139-F142 HydrophobicContact CB-CD2 4.26Å; P139-F142 HydrophobicContact CG-CD2 4.29Å; P139-F142 HydrophobicContact CG-CE2 4.19Å; P139-F142 WeakPolarHBondContact O-CD2 3.3Å; P139-F142 PolarHBondContact O-N 3.42Å; P139-L167 HydrophobicContact CB-CD2 3.89Å; P139-L167 HydrophobicContact CG-CD2 3.42Å; P139-L167 VanDerWaalsContact CG-CD2 3.42Å; P139-L167 HydrophobicContact CG-CG 3.83Å
140P46.3Very low49.5Very low40 Ų40100.8 Ų100.826%0.2649%0.494SS..G310 helixtrans-51.8-19.4175.9-25.830.8000113.8F142 L143 K144 W210P140-F142 PolarHBondContact O-N 3.38Å; P140-F142 VanDerWaalsContact O-N 3.14Å; P140-L143 WeakPolarHBondContact O-CA 3.3Å; P140-L143 WeakPolarHBondContact O-CB 3.22Å; P140-L143 PolarHBondContact O-N 3.26Å; P140-K144 PolarHBondContact O-N 3.16Å; P140-W210 HydrophobicContact CB-CH2 4.44Å; P140-W210 HydrophobicContact CB-CZ2 4.47Å; P140-W210 HydrophobicContact CG-CH2 3.04Å; P140-W210 HydrophobicContact CG-CZ2 3.15Å; P140-W210 HydrophobicContact CG-CZ3 3.88Å
141I47.8Very low48.4Very low82 Ų82102.7 Ų102.742%0.42151%0.513SS..G310 helixtrans-56-23.2173.3-121.1166.9000113.2P139 L143 L164P139-I141 HydrophobicContact CB-CB 4.38Å; P139-I141 HydrophobicContact CB-CG2 4.27Å; P139-I141 PolarHBondContact O-N 3.13Å; I141-L143 VanDerWaalsContact C-N 3.28Å; I141-L143 PolarHBondContact O-N 3.35Å; I141-L164 HydrophobicContact CB-CD2 4.45Å; I141-L164 HydrophobicContact CD1-CD1 3.96Å; I141-L164 HydrophobicContact CD1-CD2 3.76Å; I141-L164 HydrophobicContact CD1-CG 4.36Å; I141-L164 HydrophobicContact CG2-CD1 4.24Å; I141-L164 HydrophobicContact CG2-CD2 3.76Å
142F43.4Very low47.5Very low113 Ų113107 Ų10750%0.49653%0.532SS..G310 helixtrans-75.2-15.2172.1-77.1-79.2000114P139 P140 M168P139-F142 HydrophobicContact CB-CD2 4.26Å; P139-F142 HydrophobicContact CG-CD2 4.29Å; P139-F142 HydrophobicContact CG-CE2 4.19Å; P139-F142 WeakPolarHBondContact O-CD2 3.3Å; P139-F142 PolarHBondContact O-N 3.42Å; P140-F142 PolarHBondContact O-N 3.38Å; P140-F142 VanDerWaalsContact O-N 3.14Å; F142-M168 HydrophobicContact CE1-CE 4.42Å; F142-M168 HydrophobicContact CE2-CG 4.09Å; F142-M168 HydrophobicContact CE2-SD 4.48Å; F142-M168 HydrophobicContact CZ-CE 3.78Å; F142-M168 HydrophobicContact CZ-CG 3.84Å; F142-M168 HydrophobicContact CZ-SD 3.66Å
143L41.1Very low47Very low160 Ų160108.4 Ų108.484%0.83854%0.539SS*.THydrogen-bonded Turntrans-100.7-16.3-179.6-67.3166.2000113P140 I141P140-L143 WeakPolarHBondContact O-CA 3.3Å; P140-L143 WeakPolarHBondContact O-CB 3.22Å; P140-L143 PolarHBondContact O-N 3.26Å; I141-L143 VanDerWaalsContact C-N 3.28Å; I141-L143 PolarHBondContact O-N 3.35Å
144K40.6Very low46.2Very low104 Ų104116.6 Ų116.645%0.45257%0.565SS.*  trans-117.9108.3179.7-72.2-177.9174.7176.80110.8P140 P146 E214P140-K144 PolarHBondContact O-N 3.16Å; K144-P146 VanDerWaalsContact O-CD 3.28Å; K144-P146 WeakPolarHBondContact O-CD 3.36Å; K144-E214 IonicContact NZ-OE2 2.81Å; K144-E214 PolarHBondContact NZ-OE2 3.47Å
145R32.9Very low45.5Very low249 Ų249118.1 Ų118.194%0.9457%0.574SS**  trans-71.1116.9162.4-73.5-174.9-171.3-1303108.5
146P40.3Very low45.6Very low105 Ų105116.8 Ų116.868%0.68257%0.572SS**  trans-75.8129.5173.130.7-31.9000109.8K144 V148K144-P146 VanDerWaalsContact O-CD 3.28Å; K144-P146 WeakPolarHBondContact O-CD 3.36Å; P146-V148 HydrophobicContact CB-CG2 3.84Å; P146-V148 HydrophobicContact CG-CG2 4.08Å; P146-V148 PolarHBondContact O-N 3.09Å
147K38.4Very low45.5Very low215 Ų215122 Ų12294%0.93560%0.596SS**  trans-77.897.4161.8-68-176.2179.9179.60107
148V41.8Very low46.1Very low70 Ų70125.4 Ų125.442%0.42461%0.605SS.*  trans-96.1124.4-179.2-177.10000109.6P146 D153P146-V148 HydrophobicContact CB-CG2 3.84Å; P146-V148 HydrophobicContact CG-CG2 4.08Å; P146-V148 PolarHBondContact O-N 3.09Å; V148-D153 HydrophobicContact CG1-CB 4.49Å
149K37.1Very low46.8Very low196 Ų196126.5 Ų126.585%0.85261%0.607SS**  trans-70.3124.7171-75.9179.9175.1179.80109.3S151K149-S151 PolarHBondContact O-N 3.37Å
150E36.3Very low47.4Very low188 Ų188133 Ų13388%0.87963%0.63SS**SBendtrans-74112.9-176.8-66.2170.214200111
151S45.3Very low48.1Very low95 Ų95136.4 Ų136.466%0.66465%0.646SS**SBendtrans176.1-32.9143.432.70000114.5K149K149-S151 PolarHBondContact O-N 3.37Å
152I47.4Very low49.1Very low162 Ų162137.8 Ų137.883%0.83165%0.65SS**SBendtrans-106.5-13.7-168.7-60.8175.7000113.9
153D55.1Low49.9Very low51 Ų51136 Ų13627%0.27365%0.652SS.*  trans-96.13.7-157.9-133.73.6000116.8V148 L155 N156 Q157V148-D153 HydrophobicContact CG1-CB 4.49Å; D153-L155 PolarHBondContact O-N 2.9Å; D153-N156 PolarHBondContact O-N 2.85Å; D153-Q157 VanDerWaalsContact O-CB 3.25Å; D153-Q157 WeakPolarHBondContact O-CB 3.2Å; D153-Q157 PolarHBondContact O-N 2.82Å
154R49.3Very low50.8Low201 Ų201130.8 Ų130.876%0.75862%0.624SS**Hα-helixtrans-66.8-32.8-166.6-77.7-172.4-84.5-137.1-2.3115.2K158R154-K158 PolarHBondContact O-N 3.26Å
155L48.5Very low52Low148 Ų148130 Ų13078%0.77563%0.628SS**Hα-helixtrans-74.6-45.5176.7-77165.2000111.5D153 Q157 K158 E159D153-L155 PolarHBondContact O-N 2.9Å; L155-Q157 PolarHBondContact O-N 3.15Å; L155-K158 PolarHBondContact O-N 3.18Å; L155-E159 PolarHBondContact O-N 3.32Å
156N57.4Low53.7Low93 Ų93125 Ų12550%0.49761%0.613SS.*Hα-helixtrans-60.8-33.7172.8-76.2-16.7000112.4D153 R160D153-N156 PolarHBondContact O-N 2.85Å; N156-R160 WeakPolarHBondContact O-CB 3.39Å; N156-R160 WeakPolarHBondContact O-CG 3.25Å; N156-R160 PolarHBondContact O-N 3.4Å
157Q57.4Low54.7Low114 Ų114122.3 Ų122.353%0.53359%0.593SS.*Hα-helixtrans-67.9-35.2179.1-166.9173.617.200112.2D153 L155 L161D153-Q157 VanDerWaalsContact O-CB 3.25Å; D153-Q157 WeakPolarHBondContact O-CB 3.2Å; D153-Q157 PolarHBondContact O-N 2.82Å; L155-Q157 PolarHBondContact O-N 3.15Å; Q157-L161 VanDerWaalsContact O-CB 3.26Å; Q157-L161 WeakPolarHBondContact O-CB 3.35Å; Q157-L161 PolarHBondContact O-N 3.31Å
158K64.9Low55.9Low131 Ų131116.6 Ų116.657%0.5757%0.571SS**Hα-helixtrans-67.7-47.5176.7-171-176.5176-167.70111.2R154 L155 R160 L161 E162R154-K158 PolarHBondContact O-N 3.26Å; L155-K158 PolarHBondContact O-N 3.18Å; K158-R160 VanDerWaalsContact C-N 3.33Å; K158-R160 PolarHBondContact O-N 3.17Å; K158-L161 PolarHBondContact O-N 2.77Å; K158-L161 VanDerWaalsContact O-N 3.15Å; K158-E162 WeakPolarHBondContact CE-OE1 3.32Å; K158-E162 WeakPolarHBondContact O-CG 3.34Å; K158-E162 PolarHBondContact O-N 2.89Å
159E64Low57.2Low127 Ų127115.3 Ų115.359%0.59357%0.572SS**Hα-helixtrans-62.8-39.5176.4-67.7-177.3164.600112L155 E162 S163L155-E159 PolarHBondContact O-N 3.32Å; E159-E162 PolarHBondContact O-N 2.95Å; E159-S163 VanDerWaalsContact O-CB 3.29Å; E159-S163 WeakPolarHBondContact O-CB 3.36Å; E159-S163 PolarHBondContact O-N 3.26Å; E159-S163 PolarHBondContact O-OG 3.35Å
160R59.9Low58.5Low150 Ų150109.5 Ų109.557%0.56655%0.548SS*.Hα-helixtrans-62.8-43.7172.2-74.5174.399.1175.18.3111.5N156 K158 S163 L164N156-R160 WeakPolarHBondContact O-CB 3.39Å; N156-R160 WeakPolarHBondContact O-CG 3.25Å; N156-R160 PolarHBondContact O-N 3.4Å; K158-R160 VanDerWaalsContact C-N 3.33Å; K158-R160 PolarHBondContact O-N 3.17Å; R160-S163 PolarHBondContact O-N 3.44Å; R160-L164 WeakPolarHBondContact O-CB 3.49Å; R160-L164 WeakPolarHBondContact O-CG 3.42Å; R160-L164 PolarHBondContact O-N 3.16Å
161L61.3Low60Low111 Ų111102.2 Ų102.258%0.58151%0.513SS*.Hα-helixtrans-64.8-42.1179.1-17367.8000111.9Q157 K158 L164 T165Q157-L161 VanDerWaalsContact O-CB 3.26Å; Q157-L161 WeakPolarHBondContact O-CB 3.35Å; Q157-L161 PolarHBondContact O-N 3.31Å; K158-L161 PolarHBondContact O-N 2.77Å; K158-L161 VanDerWaalsContact O-N 3.15Å; L161-L164 PolarHBondContact O-N 2.91Å; L161-T165 WeakPolarHBondContact O-CB 3.37Å; L161-T165 PolarHBondContact O-N 2.98Å; L161-T165 PolarHBondContact O-OG1 3.04Å
162E68.5Low61.1Low110 Ų110104 Ų10451%0.51451%0.509SS..Hα-helixtrans-63.1-44.5174.8-73.7175.6-176.100111.2K158 E159 L164 T165 K166K158-E162 WeakPolarHBondContact CE-OE1 3.32Å; K158-E162 WeakPolarHBondContact O-CG 3.34Å; K158-E162 PolarHBondContact O-N 2.89Å; E159-E162 PolarHBondContact O-N 2.95Å; E162-L164 PolarHBondContact O-N 3.15Å; E162-T165 PolarHBondContact O-N 3.36Å; E162-K166 WeakPolarHBondContact O-CB 3.46Å; E162-K166 PolarHBondContact O-N 3.4Å
163S61.2Low62.2Low76 Ų76101.1 Ų101.153%0.53149%0.491SS..Hα-helixtrans-61.7-43.7176.2-610000112.2E159 R160 K166 L167E159-S163 VanDerWaalsContact O-CB 3.29Å; E159-S163 WeakPolarHBondContact O-CB 3.36Å; E159-S163 PolarHBondContact O-N 3.26Å; E159-S163 PolarHBondContact O-OG 3.35Å; R160-S163 PolarHBondContact O-N 3.44Å; S163-K166 PolarHBondContact O-N 3.08Å; S163-L167 WeakPolarHBondContact O-CB 3.26Å; S163-L167 PolarHBondContact O-N 3.49Å
164L58.7Low62.8Low50 Ų5099.1 Ų99.126%0.26248%0.48SS..Hα-helixtrans-66.7-40176.2-72.8175.6000112.4I141 R160 L161 E162 K166 L167 M168I141-L164 HydrophobicContact CB-CD2 4.45Å; I141-L164 HydrophobicContact CD1-CD1 3.96Å; I141-L164 HydrophobicContact CD1-CD2 3.76Å; I141-L164 HydrophobicContact CD1-CG 4.36Å; I141-L164 HydrophobicContact CG2-CD1 4.24Å; I141-L164 HydrophobicContact CG2-CD2 3.76Å; R160-L164 WeakPolarHBondContact O-CB 3.49Å; R160-L164 WeakPolarHBondContact O-CG 3.42Å; R160-L164 PolarHBondContact O-N 3.16Å; L161-L164 PolarHBondContact O-N 2.91Å; E162-L164 PolarHBondContact O-N 3.15Å; L164-K166 VanDerWaalsContact C-N 3.31Å; L164-K166 PolarHBondContact O-N 3.41Å; L164-L167 PolarHBondContact O-N 2.77Å; L164-M168 WeakPolarHBondContact O-CB 3.3Å; L164-M168 VanDerWaalsContact O-CG 3.31Å; L164-M168 WeakPolarHBondContact O-CG 3.24Å; L164-M168 PolarHBondContact O-N 3.46Å
165T65.9Low63.9Low87 Ų8790.8 Ų90.853%0.53445%0.451SS..Hα-helixtrans-62.4-42.5176.6-59.20000110.6L161 E162 M168 G169L161-T165 WeakPolarHBondContact O-CB 3.37Å; L161-T165 PolarHBondContact O-N 2.98Å; L161-T165 PolarHBondContact O-OG1 3.04Å; E162-T165 PolarHBondContact O-N 3.36Å; T165-M168 PolarHBondContact O-N 3.31Å; T165-G169 PolarHBondContact O-N 3.05Å
166K68.8Low65.1Low144 Ų14488.6 Ų88.663%0.62644%0.437SS*.Hα-helixtrans-61.5-46.1173.6-175.9178.2179.2-1770111.5E162 S163 L164 G169 Q170E162-K166 WeakPolarHBondContact O-CB 3.46Å; E162-K166 PolarHBondContact O-N 3.4Å; S163-K166 PolarHBondContact O-N 3.08Å; L164-K166 VanDerWaalsContact C-N 3.31Å; L164-K166 PolarHBondContact O-N 3.41Å; K166-G169 PolarHBondContact O-N 3.47Å; K166-Q170 WeakPolarHBondContact O-CG 3.43Å; K166-Q170 PolarHBondContact O-N 3.02Å
167L62.7Low65.9Low49 Ų4988 Ų8826%0.25743%0.43SS..Hα-helixtrans-63.8-41.1179-173.362.1000112.2P139 S163 L164 G169 Q170 H171P139-L167 HydrophobicContact CB-CD2 3.89Å; P139-L167 HydrophobicContact CG-CD2 3.42Å; P139-L167 VanDerWaalsContact CG-CD2 3.42Å; P139-L167 HydrophobicContact CG-CG 3.83Å; S163-L167 WeakPolarHBondContact O-CB 3.26Å; S163-L167 PolarHBondContact O-N 3.49Å; L164-L167 PolarHBondContact O-N 2.77Å; L167-G169 VanDerWaalsContact C-N 3.35Å; L167-Q170 PolarHBondContact O-N 3.03Å; L167-H171 WeakPolarHBondContact O-CB 3.04Å; L167-H171 PolarHBondContact O-N 3.48Å
168M62.8Low66.8Low96 Ų9682.6 Ų82.647%0.47341%0.405SS..Hα-helixtrans-62.6-41.3172.7-73.7-177.573.400111.9F142 L164 T165 H171 K172F142-M168 HydrophobicContact CE1-CE 4.42Å; F142-M168 HydrophobicContact CE2-CG 4.09Å; F142-M168 HydrophobicContact CE2-SD 4.48Å; F142-M168 HydrophobicContact CZ-CE 3.78Å; F142-M168 HydrophobicContact CZ-CG 3.84Å; F142-M168 HydrophobicContact CZ-SD 3.66Å; L164-M168 WeakPolarHBondContact O-CB 3.3Å; L164-M168 VanDerWaalsContact O-CG 3.31Å; L164-M168 WeakPolarHBondContact O-CG 3.24Å; L164-M168 PolarHBondContact O-N 3.46Å; T165-M168 PolarHBondContact O-N 3.31Å; M168-H171 PolarHBondContact O-N 3.37Å; M168-K172 WeakPolarHBondContact O-CB 3.33Å; M168-K172 PolarHBondContact O-N 3.34Å
169G68Low67.3Low42 Ų4280.1 Ų80.143%0.43340%0.395SS..Hα-helixtrans-61.1-43.7175.500000112.2T165 K166 L167 F173T165-G169 PolarHBondContact O-N 3.05Å; K166-G169 PolarHBondContact O-N 3.47Å; L167-G169 VanDerWaalsContact C-N 3.35Å; G169-F173 WeakPolarHBondContact O-CB 3.41Å; G169-F173 PolarHBondContact O-N 3.49Å
170Q66Low67.8Low75 Ų7577.9 Ų77.935%0.3539%0.387SS..Hα-helixtrans-63.3-50.3174.5-71.4171.5-3200111.5K166 L167 K172 F173 H174K166-Q170 WeakPolarHBondContact O-CG 3.43Å; K166-Q170 PolarHBondContact O-N 3.02Å; L167-Q170 PolarHBondContact O-N 3.03Å; Q170-K172 VanDerWaalsContact C-N 3.33Å; Q170-K172 PolarHBondContact O-N 3.1Å; Q170-F173 CarbonylContact O-C 3.59Å; Q170-F173 WeakPolarHBondContact O-CA 3.12Å; Q170-F173 WeakPolarHBondContact O-CB 3.35Å; Q170-F173 PolarHBondContact O-N 2.91Å; Q170-H174 VanDerWaalsContact C-CD2 3.47Å; Q170-H174 PolarHBondContact O-CD2 3.2Å; Q170-H174 PolarHBondContact O-N 3.14Å; Q170-H174 PolarHBondContact O-NE2 3.32Å
171H66.1Low68.6Low34 Ų3471.3 Ų71.316%0.15736%0.363CS..Hα-helixtrans-54.5-48.7176.8178.7-89.4000111.8C136 P137 L167 M168 F173 H174 V175C136-H171 PolarHBondContact O-CD2 3.5Å; C136-H171 PolarHBondContact O-NE2 2.97Å; P137-H171 PolarHBondContact O-CD2 3.07Å; P137-H171 VanDerWaalsContact O-CD2 3.31Å; L167-H171 WeakPolarHBondContact O-CB 3.04Å; L167-H171 PolarHBondContact O-N 3.48Å; M168-H171 PolarHBondContact O-N 3.37Å; H171-F173 VanDerWaalsContact C-N 3.3Å; H171-F173 PolarHBondContact O-N 3.33Å; H171-H174 PolarHBondContact O-N 3.04Å; H171-H174 VanDerWaalsContact O-N 3.09Å; H171-V175 WeakPolarHBondContact O-CG2 3.49Å; H171-V175 PolarHBondContact O-N 3.47Å
172K69Low69.4Low134 Ų13467.3 Ų67.358%0.58334%0.342SS*.Hα-helixtrans-58.9-41.4176-174.5179.1179.7-178.10112M168 Q170 Q176M168-K172 WeakPolarHBondContact O-CB 3.33Å; M168-K172 PolarHBondContact O-N 3.34Å; Q170-K172 VanDerWaalsContact C-N 3.33Å; Q170-K172 PolarHBondContact O-N 3.1Å; K172-Q176 WeakPolarHBondContact O-CB 3.45Å; K172-Q176 VanDerWaalsContact O-CG 3.22Å; K172-Q176 WeakPolarHBondContact O-CG 3.49Å; K172-Q176 PolarHBondContact O-N 2.81Å
173F71.6Confident69.8Low100 Ų10069.2 Ų69.244%0.43934%0.344SS..Hα-helixtrans-62-44.1174.4173-91.9000111.7G169 Q170 H171 Q176 K177G169-F173 WeakPolarHBondContact O-CB 3.41Å; G169-F173 PolarHBondContact O-N 3.49Å; Q170-F173 CarbonylContact O-C 3.59Å; Q170-F173 WeakPolarHBondContact O-CA 3.12Å; Q170-F173 WeakPolarHBondContact O-CB 3.35Å; Q170-F173 PolarHBondContact O-N 2.91Å; H171-F173 VanDerWaalsContact C-N 3.3Å; H171-F173 PolarHBondContact O-N 3.33Å; F173-Q176 PolarHBondContact O-N 3.49Å; F173-K177 HydrophobicContact CD1-CG 4.28Å; F173-K177 HydrophobicContact CD2-CG 4.48Å; F173-K177 HydrophobicContact CE1-CG 3.98Å; F173-K177 HydrophobicContact CE2-CD 4.42Å; F173-K177 HydrophobicContact CE2-CG 4.21Å; F173-K177 HydrophobicContact CZ-CD 4.26Å; F173-K177 HydrophobicContact CZ-CG 3.96Å; F173-K177 VanDerWaalsContact O-CG 3.22Å; F173-K177 WeakPolarHBondContact O-CG 3.3Å; F173-K177 PolarHBondContact O-N 3.41Å
174H67.5Low70.5Confident9 Ų968 Ų684%0.04233%0.332CS..Hα-helixtrans-62.8-48.7177.7-63.3-44.3000112.1Q170 H171 Q176 K177 L178 L202 A206Q170-H174 VanDerWaalsContact C-CD2 3.47Å; Q170-H174 PolarHBondContact O-CD2 3.2Å; Q170-H174 PolarHBondContact O-N 3.14Å; Q170-H174 PolarHBondContact O-NE2 3.32Å; H171-H174 PolarHBondContact O-N 3.04Å; H171-H174 VanDerWaalsContact O-N 3.09Å; H174-Q176 VanDerWaalsContact C-N 3.33Å; H174-Q176 PolarHBondContact O-N 3.49Å; H174-K177 PolarHBondContact O-N 3.46Å; H174-K177 VanDerWaalsContact O-N 3.12Å; H174-L178 WeakPolarHBondContact O-CG 3.28Å; H174-L178 PolarHBondContact O-N 3.36Å; H174-L202 HydrophobicContact CB-CD2 4.47Å; H174-A206 WeakPolarHBondContact CE1-CB 3.32Å; H174-A206 VanDerWaalsContact NE2-CB 3.35Å; H174-A206 WeakPolarHBondContact NE2-CB 3.49Å
175V71.1Confident71.5Confident26 Ų2665.8 Ų65.816%0.15832%0.32CS..Hα-helixtrans-56.6-48176.5173.40000110.5C136 H171 K177 L178 E179C136-V175 HydrophobicContact CB-CG2 4.11Å; H171-V175 WeakPolarHBondContact O-CG2 3.49Å; H171-V175 PolarHBondContact O-N 3.47Å; V175-K177 VanDerWaalsContact C-N 3.3Å; V175-K177 PolarHBondContact O-N 3.49Å; V175-L178 PolarHBondContact O-N 2.91Å; V175-E179 WeakPolarHBondContact O-CG 3.41Å; V175-E179 PolarHBondContact O-N 2.94Å
176Q73.8Confident72Confident102 Ų10265.4 Ų65.448%0.47732%0.315SS..Hα-helixtrans-59.7-38177.4-75.8176.9-4.200113.2K172 F173 H174 L180K172-Q176 WeakPolarHBondContact O-CB 3.45Å; K172-Q176 VanDerWaalsContact O-CG 3.22Å; K172-Q176 WeakPolarHBondContact O-CG 3.49Å; K172-Q176 PolarHBondContact O-N 2.81Å; F173-Q176 PolarHBondContact O-N 3.49Å; H174-Q176 VanDerWaalsContact C-N 3.33Å; H174-Q176 PolarHBondContact O-N 3.49Å; Q176-L180 WeakPolarHBondContact O-CB 3Å; Q176-L180 PolarHBondContact O-N 3.09Å
177K74.6Confident72.5Confident80 Ų8064.1 Ų64.135%0.34832%0.315SS..Hα-helixtrans-74.2-37.3178.4-68.2-71.2-176-1740112.1F173 H174 V175 L180 I181 L202F173-K177 HydrophobicContact CD1-CG 4.28Å; F173-K177 HydrophobicContact CD2-CG 4.48Å; F173-K177 HydrophobicContact CE1-CG 3.98Å; F173-K177 HydrophobicContact CE2-CD 4.42Å; F173-K177 HydrophobicContact CE2-CG 4.21Å; F173-K177 HydrophobicContact CZ-CD 4.26Å; F173-K177 HydrophobicContact CZ-CG 3.96Å; F173-K177 VanDerWaalsContact O-CG 3.22Å; F173-K177 WeakPolarHBondContact O-CG 3.3Å; F173-K177 PolarHBondContact O-N 3.41Å; H174-K177 PolarHBondContact O-N 3.46Å; H174-K177 VanDerWaalsContact O-N 3.12Å; V175-K177 VanDerWaalsContact C-N 3.3Å; V175-K177 PolarHBondContact O-N 3.49Å; K177-L180 WeakPolarHBondContact O-CB 3.4Å; K177-L180 PolarHBondContact O-N 2.88Å; K177-I181 VanDerWaalsContact O-CG1 3.28Å; K177-I181 WeakPolarHBondContact O-CG1 3.48Å; K177-I181 PolarHBondContact O-N 3.04Å; K177-L202 HydrophobicContact CB-CD1 3.37Å; K177-L202 HydrophobicContact CB-CD2 3.73Å; K177-L202 HydrophobicContact CB-CG 4.12Å; K177-L202 HydrophobicContact CD-CD1 4.41Å; K177-L202 HydrophobicContact CG-CD1 3.82Å
178L76.8Confident73.1Confident1 Ų166.3 Ų66.31%0.00533%0.334CS..Hα-helixtrans-62.8-43.9172.1-70.1172.6000111L129 T132 C136 H174 V175 L180 I181 L182 V199 L202L129-L178 HydrophobicContact CD2-CD2 4.18Å; T132-L178 HydrophobicContact CG2-CD1 3.99Å; T132-L178 HydrophobicContact CG2-CD2 4.32Å; C136-L178 HydrophobicContact CB-CD1 4.31Å; H174-L178 WeakPolarHBondContact O-CG 3.28Å; H174-L178 PolarHBondContact O-N 3.36Å; V175-L178 PolarHBondContact O-N 2.91Å; L178-L180 VanDerWaalsContact C-N 3.32Å; L178-L180 PolarHBondContact O-N 3.35Å; L178-I181 PolarHBondContact O-N 3.36Å; L178-L182 WeakPolarHBondContact O-CB 3.49Å; L178-L182 PolarHBondContact O-N 3.18Å; L178-V199 HydrophobicContact CD2-CB 4.48Å; L178-V199 HydrophobicContact CD2-CG1 3.86Å; L178-V199 HydrophobicContact CD2-CG2 3.92Å; L178-L202 HydrophobicContact CD2-CD2 4.02Å; L178-L202 HydrophobicContact CG-CD2 3.95Å
179E75.9Confident73.8Confident79 Ų7965.8 Ų65.837%0.36934%0.34SS..Hα-helixtrans-59.3-41.5172.8-75.4-179.1-166.100112.1V175 L182 R183V175-E179 WeakPolarHBondContact O-CG 3.41Å; V175-E179 PolarHBondContact O-N 2.94Å; E179-L182 WeakPolarHBondContact O-CB 3.49Å; E179-L182 PolarHBondContact O-N 3.13Å; E179-R183 WeakPolarHBondContact O-CG 3.33Å; E179-R183 PolarHBondContact O-N 3.46Å; E179-R183 IonicContact OE2-NH2 4Å; E179-R183 PolarHBondContact OE2-NH2 2.79Å
180L74.8Confident74.2Confident81 Ų8164.4 Ų64.442%0.42432%0.322SS..Hα-helixtrans-63-45.6175.4177.663.8000111.4Q176 K177 L178 L182 R183 L184Q176-L180 WeakPolarHBondContact O-CB 3Å; Q176-L180 PolarHBondContact O-N 3.09Å; K177-L180 WeakPolarHBondContact O-CB 3.4Å; K177-L180 PolarHBondContact O-N 2.88Å; L178-L180 VanDerWaalsContact C-N 3.32Å; L178-L180 PolarHBondContact O-N 3.35Å; L180-L182 VanDerWaalsContact C-N 3.29Å; L180-L182 PolarHBondContact O-N 3.49Å; L180-R183 PolarHBondContact O-N 3.46Å; L180-L184 HydrophobicContact CD1-CD1 4.47Å; L180-L184 HydrophobicContact CD1-CG 4.38Å; L180-L184 HydrophobicContact CG-CD1 4.21Å; L180-L184 WeakPolarHBondContact O-CG 3.5Å; L180-L184 PolarHBondContact O-N 2.93Å
181I76.4Confident74.8Confident12 Ų1266.4 Ų66.46%0.06233%0.332CS..Hα-helixtrans-59.7-43.3176.3-68.5167.7000110.1L129 K177 L178 R183 L184 L185 V195 R198 V199L129-I181 HydrophobicContact CD1-CG2 4Å; L129-I181 HydrophobicContact CD2-CG2 4.12Å; K177-I181 VanDerWaalsContact O-CG1 3.28Å; K177-I181 WeakPolarHBondContact O-CG1 3.48Å; K177-I181 PolarHBondContact O-N 3.04Å; L178-I181 PolarHBondContact O-N 3.36Å; I181-R183 PolarHBondContact O-N 3.02Å; I181-L184 PolarHBondContact O-N 2.92Å; I181-L185 WeakPolarHBondContact O-CB 3.23Å; I181-L185 PolarHBondContact O-N 2.73Å; I181-V195 HydrophobicContact CG2-CG1 3.8Å; I181-V195 HydrophobicContact CG2-CG2 4.43Å; I181-R198 HydrophobicContact CD1-CB 4.31Å; I181-V199 HydrophobicContact CD1-CG2 3.86Å; I181-V199 HydrophobicContact CG2-CG2 4.35Å
182L78.4Confident75.3Confident26 Ų2665.8 Ų65.814%0.13633%0.33CS..Hα-helixtrans-60.7-43.6175.9-177.766.2000112.1I126 L129 Q130 L178 E179 L180 L185 N186I126-L182 HydrophobicContact CB-CD1 4.27Å; I126-L182 HydrophobicContact CG1-CD1 4.07Å; I126-L182 HydrophobicContact CG2-CD1 3.95Å; L129-L182 HydrophobicContact CB-CD1 4.16Å; L129-L182 HydrophobicContact CD1-CB 4.27Å; L129-L182 HydrophobicContact CD1-CD1 4.05Å; Q130-L182 HydrophobicContact CG-CD2 4.08Å; L178-L182 WeakPolarHBondContact O-CB 3.49Å; L178-L182 PolarHBondContact O-N 3.18Å; E179-L182 WeakPolarHBondContact O-CB 3.49Å; E179-L182 PolarHBondContact O-N 3.13Å; L180-L182 VanDerWaalsContact C-N 3.29Å; L180-L182 PolarHBondContact O-N 3.49Å; L182-L185 PolarHBondContact O-N 3.1Å; L182-N186 WeakPolarHBondContact O-CB 3.25Å; L182-N186 PolarHBondContact O-N 2.91Å
183R75.9Confident75.7Confident151 Ų15162.4 Ų62.457%0.5733%0.328SS*.Hα-helixtrans-63.2-44.9175.5-72.2177.4-160.9169.210.7112E179 L180 I181 L185 N186 N187E179-R183 WeakPolarHBondContact O-CG 3.33Å; E179-R183 PolarHBondContact O-N 3.46Å; E179-R183 IonicContact OE2-NH2 4Å; E179-R183 PolarHBondContact OE2-NH2 2.79Å; L180-R183 PolarHBondContact O-N 3.46Å; I181-R183 PolarHBondContact O-N 3.02Å; R183-L185 VanDerWaalsContact C-N 3.28Å; R183-L185 PolarHBondContact O-N 3.16Å; R183-N186 PolarHBondContact O-N 3.43Å; R183-N187 WeakPolarHBondContact O-CB 3.31Å; R183-N187 VanDerWaalsContact O-CG 3.3Å; R183-N187 PolarHBondContact O-N 2.79Å
184L76.8Confident75.9Confident51 Ų5161.8 Ų61.827%0.26733%0.325SS..Hα-helixtrans-62.3-38177-69.7172.6000111.6L180 I181 S188 S189 I190L180-L184 HydrophobicContact CD1-CD1 4.47Å; L180-L184 HydrophobicContact CD1-CG 4.38Å; L180-L184 HydrophobicContact CG-CD1 4.21Å; L180-L184 WeakPolarHBondContact O-CG 3.5Å; L180-L184 PolarHBondContact O-N 2.93Å; I181-L184 PolarHBondContact O-N 2.92Å; L184-S188 PolarHBondContact O-N 2.96Å; L184-S189 PolarHBondContact O-N 3.5Å; L184-I190 HydrophobicContact CB-CB 4.37Å; L184-I190 HydrophobicContact CB-CG2 3.87Å; L184-I190 PolarHBondContact O-N 3.3Å
185L79.7Confident76.3Confident2 Ų261.4 Ų61.41%0.0132%0.323CS..Hα-helixtrans-67.9-44.9177.5-174.760.5000111.2K122 V125 I126 L129 I181 L182 R183 N187 S188 I190 V192 V195K122-L185 WeakPolarHBondContact CE-O 3.36Å; K122-L185 HydrophobicContact CG-CD1 4.25Å; K122-L185 HydrophobicContact CG-CG 4.28Å; K122-L185 PolarHBondContact NZ-O 3.22Å; V125-L185 HydrophobicContact CB-CD2 4.34Å; V125-L185 HydrophobicContact CG1-CD2 3.75Å; I126-L185 HydrophobicContact CG1-CD2 3.68Å; I126-L185 HydrophobicContact CG1-CG 4.24Å; L129-L185 HydrophobicContact CD1-CD2 3.84Å; I181-L185 WeakPolarHBondContact O-CB 3.23Å; I181-L185 PolarHBondContact O-N 2.73Å; L182-L185 PolarHBondContact O-N 3.1Å; R183-L185 VanDerWaalsContact C-N 3.28Å; R183-L185 PolarHBondContact O-N 3.16Å; L185-N187 VanDerWaalsContact C-N 3.31Å; L185-N187 PolarHBondContact O-N 2.91Å; L185-S188 PolarHBondContact O-N 3.29Å; L185-S188 VanDerWaalsContact O-N 3.09Å; L185-I190 HydrophobicContact CB-CG2 3.92Å; L185-I190 HydrophobicContact CD1-CG2 4.13Å; L185-I190 WeakPolarHBondContact CD1-O 3.39Å; L185-V192 HydrophobicContact CD1-CG2 4.13Å; L185-V195 HydrophobicContact CD1-CG2 3.85Å; L185-V195 HydrophobicContact CD2-CG2 4.16Å; L185-V195 HydrophobicContact CG-CG2 4.42Å
186N75.1Confident76.2Confident80 Ų8067.7 Ų67.743%0.42834%0.344SS..Hα-helixtrans-59.4-42.7175.7-77.1-18.7000111.8K122 I126 L182 R183 S188K122-N186 PolarHBondContact NZ-O 3.21Å; I126-N186 VanDerWaalsContact CD1-OD1 3.24Å; I126-N186 WeakPolarHBondContact CD1-OD1 3.25Å; L182-N186 WeakPolarHBondContact O-CB 3.25Å; L182-N186 PolarHBondContact O-N 2.91Å; R183-N186 PolarHBondContact O-N 3.43Å; N186-S188 PolarHBondContact O-N 3.09Å; N186-S188 VanDerWaalsContact O-N 3.17Å
187N79.9Confident76Confident116 Ų11671.2 Ų71.262%0.6235%0.353SS*.THydrogen-bonded Turntrans-78.411.4178.4-65.3-9.7000113.8R183 L185 S189R183-N187 WeakPolarHBondContact O-CB 3.31Å; R183-N187 VanDerWaalsContact O-CG 3.3Å; R183-N187 PolarHBondContact O-N 2.79Å; L185-N187 VanDerWaalsContact C-N 3.31Å; L185-N187 PolarHBondContact O-N 2.91Å; N187-S189 PolarHBondContact O-N 3.29Å; N187-S189 PolarHBondContact O-OG 2.8Å
188S75.9Confident75.8Confident96 Ų9673.8 Ų73.867%0.67136%0.36SS*.THydrogen-bonded Turntrans52.326.2-178.8-59.10000113.9K122 L184 L185 N186K122-S188 PolarHBondContact NZ-OG 3.43Å; L184-S188 PolarHBondContact O-N 2.96Å; L185-S188 PolarHBondContact O-N 3.29Å; L185-S188 VanDerWaalsContact O-N 3.09Å; N186-S188 PolarHBondContact O-N 3.09Å; N186-S188 VanDerWaalsContact O-N 3.17Å
189S76.6Confident75.5Confident84 Ų8473.7 Ų73.759%0.58736%0.36SS*.  trans-89.4-8.7180-53.60000112.5L184 N187L184-S189 PolarHBondContact O-N 3.5Å; N187-S189 PolarHBondContact O-N 3.29Å; N187-S189 PolarHBondContact O-OG 2.8Å
190I77Confident75Confident13 Ų1371.2 Ų71.27%0.06736%0.355CS..SBendtrans-136.9133.9174.1-169173.9000109.7L184 L185 K194 V195 R198L184-I190 HydrophobicContact CB-CB 4.37Å; L184-I190 HydrophobicContact CB-CG2 3.87Å; L184-I190 PolarHBondContact O-N 3.3Å; L185-I190 HydrophobicContact CB-CG2 3.92Å; L185-I190 HydrophobicContact CD1-CG2 4.13Å; L185-I190 WeakPolarHBondContact CD1-O 3.39Å; I190-K194 HydrophobicContact CD1-CB 4.2Å; I190-K194 HydrophobicContact CG1-CB 3.94Å; I190-V195 HydrophobicContact CD1-CG2 4.12Å; I190-V195 HydrophobicContact CG1-CG2 4.28Å; I190-V195 HydrophobicContact CG2-CG2 3.95Å; I190-R198 HydrophobicContact CD1-CG 4.37Å
191E78.3Confident74.5Confident117 Ų11770 Ų7055%0.54736%0.357SS..  trans-71.5142.5173.6-67.2164.9169.300110.7A193 K194 V195E191-A193 PolarHBondContact O-N 3.35Å; E191-K194 HydrophobicContact CB-CD 4.44Å; E191-K194 WeakPolarHBondContact O-CB 3.46Å; E191-K194 PolarHBondContact O-N 2.94Å; E191-K194 IonicContact OE1-NZ 3.78Å; E191-K194 VanDerWaalsContact OE2-CE 3.3Å; E191-K194 WeakPolarHBondContact OE2-CE 3.11Å; E191-K194 IonicContact OE2-NZ 3.56Å; E191-K194 PolarHBondContact OE2-NZ 2.85Å; E191-V195 PolarHBondContact O-N 2.96Å
192V77.2Confident74Confident21 Ų2170.9 Ų70.913%0.12736%0.362CS..Hα-helixtrans-51.3-42.7179.4-174.10000111.7E121 K122 V125 L185 K194 V195E121-V192 HydrophobicContact CG-CG1 3.85Å; K122-V192 HydrophobicContact CB-CG2 3.9Å; K122-V192 HydrophobicContact CG-CG2 4.34Å; V125-V192 HydrophobicContact CB-CG1 3.88Å; V125-V192 HydrophobicContact CG1-CG1 4.3Å; V125-V192 HydrophobicContact CG2-CG1 3.39Å; L185-V192 HydrophobicContact CD1-CG2 4.13Å; V192-K194 PolarHBondContact O-N 3.19Å; V192-K194 VanDerWaalsContact O-N 3.14Å; V192-V195 WeakPolarHBondContact O-CB 3.41Å; V192-V195 PolarHBondContact O-N 3.45Å
193A75.7Confident73.3Confident64 Ų6471.8 Ų71.853%0.52937%0.367SS..Hα-helixtrans-61.3-21.8177.500000114.8E191E191-A193 PolarHBondContact O-N 3.35Å
194K77.4Confident72.4Confident87 Ų8770.8 Ų70.838%0.37837%0.372SS..Hα-helixtrans-91.2-21.2176.8-70.4172176.8142.80112.2I190 E191 V192 R198I190-K194 HydrophobicContact CD1-CB 4.2Å; I190-K194 HydrophobicContact CG1-CB 3.94Å; E191-K194 HydrophobicContact CB-CD 4.44Å; E191-K194 WeakPolarHBondContact O-CB 3.46Å; E191-K194 PolarHBondContact O-N 2.94Å; E191-K194 IonicContact OE1-NZ 3.78Å; E191-K194 VanDerWaalsContact OE2-CE 3.3Å; E191-K194 WeakPolarHBondContact OE2-CE 3.11Å; E191-K194 IonicContact OE2-NZ 3.56Å; E191-K194 PolarHBondContact OE2-NZ 2.85Å; V192-K194 PolarHBondContact O-N 3.19Å; V192-K194 VanDerWaalsContact O-N 3.14Å; K194-R198 WeakPolarHBondContact O-CG 3.35Å; K194-R198 PolarHBondContact O-N 3.23Å
195V75.2Confident70.9Confident0 Ų078 Ų780%040%0.402CS..Hα-helixtrans-63.3-52.9-177174.50000111.5V125 W128 L129 I181 L185 I190 E191 V192 R197 R198 V199V125-V195 HydrophobicContact CG1-CB 3.94Å; V125-V195 HydrophobicContact CG1-CG1 3.52Å; V125-V195 HydrophobicContact CG1-CG2 4.35Å; W128-V195 HydrophobicContact CZ3-CG1 4.33Å; L129-V195 HydrophobicContact CD1-CG1 3.87Å; L129-V195 HydrophobicContact CD2-CG1 4.1Å; L129-V195 HydrophobicContact CG-CG1 4.17Å; I181-V195 HydrophobicContact CG2-CG1 3.8Å; I181-V195 HydrophobicContact CG2-CG2 4.43Å; L185-V195 HydrophobicContact CD1-CG2 3.85Å; L185-V195 HydrophobicContact CD2-CG2 4.16Å; L185-V195 HydrophobicContact CG-CG2 4.42Å; I190-V195 HydrophobicContact CD1-CG2 4.12Å; I190-V195 HydrophobicContact CG1-CG2 4.28Å; I190-V195 HydrophobicContact CG2-CG2 3.95Å; E191-V195 PolarHBondContact O-N 2.96Å; V192-V195 WeakPolarHBondContact O-CB 3.41Å; V192-V195 PolarHBondContact O-N 3.45Å; V195-R197 VanDerWaalsContact C-N 3.28Å; V195-R197 PolarHBondContact O-N 3.3Å; V195-R198 PolarHBondContact O-N 3.47Å; V195-V199 HydrophobicContact CG1-CG2 4.21Å; V195-V199 WeakPolarHBondContact O-CG2 3.44Å; V195-V199 PolarHBondContact O-N 2.81Å
196R69.5Low69.1Low158 Ų15879 Ų7960%0.59641%0.41SS*.Hα-helixtrans-58.2-40.8-178.7-71-173.1179.7-1651.5112.3W128 V199 G200W128-R196 HydrophobicContact CZ3-CG 4.37Å; R196-V199 PolarHBondContact O-N 3.42Å; R196-G200 PolarHBondContact O-N 3.07Å
197R69.6Low67.5Low177 Ų17782 Ų8267%0.66843%0.426SS*.Hα-helixtrans-64.5-43.1175-75.9-172.7-74.6-177.3-4.4112.2V195 A201V195-R197 VanDerWaalsContact C-N 3.28Å; V195-R197 PolarHBondContact O-N 3.3Å; R197-A201 VanDerWaalsContact O-CB 3.3Å; R197-A201 WeakPolarHBondContact O-CB 3.27Å; R197-A201 PolarHBondContact O-N 3.08Å
198R70.7Confident65.8Low133 Ų13379.3 Ų79.350%0.50241%0.414SS..Hα-helixtrans-67.2-38.9177.8-75-163.1-176.2-175.7-4.1112.6I181 I190 K194 V195 L202I181-R198 HydrophobicContact CD1-CB 4.31Å; I190-R198 HydrophobicContact CD1-CG 4.37Å; K194-R198 WeakPolarHBondContact O-CG 3.35Å; K194-R198 PolarHBondContact O-N 3.23Å; V195-R198 PolarHBondContact O-N 3.47Å; R198-L202 VanDerWaalsContact O-CB 3.3Å; R198-L202 WeakPolarHBondContact O-CB 3.42Å; R198-L202 PolarHBondContact O-N 3.27Å
199V69.8Low64.1Low0 Ų078.7 Ų78.70%040%0.4CS..Hα-helixtrans-70.7-43.5175.5174.90000110.9W128 L129 L178 I181 V195 R196 A201 L202 L203W128-V199 HydrophobicContact CH2-CB 3.56Å; W128-V199 HydrophobicContact CH2-CG1 3.34Å; W128-V199 HydrophobicContact CH2-CG2 3.98Å; W128-V199 HydrophobicContact CZ2-CG1 4.08Å; W128-V199 HydrophobicContact CZ3-CB 3.93Å; W128-V199 HydrophobicContact CZ3-CG1 4Å; W128-V199 HydrophobicContact CZ3-CG2 3.8Å; L129-V199 HydrophobicContact CD2-CG2 3.56Å; L178-V199 HydrophobicContact CD2-CB 4.48Å; L178-V199 HydrophobicContact CD2-CG1 3.86Å; L178-V199 HydrophobicContact CD2-CG2 3.92Å; I181-V199 HydrophobicContact CD1-CG2 3.86Å; I181-V199 HydrophobicContact CG2-CG2 4.35Å; V195-V199 HydrophobicContact CG1-CG2 4.21Å; V195-V199 WeakPolarHBondContact O-CG2 3.44Å; V195-V199 PolarHBondContact O-N 2.81Å; R196-V199 PolarHBondContact O-N 3.42Å; V199-A201 VanDerWaalsContact C-N 3.3Å; V199-A201 PolarHBondContact O-N 3.44Å; V199-L202 WeakPolarHBondContact O-CA 3.48Å; V199-L202 VanDerWaalsContact O-CB 3.31Å; V199-L202 WeakPolarHBondContact O-CB 3.2Å; V199-L202 PolarHBondContact O-N 3.36Å; V199-L203 HydrophobicContact CG1-CD1 3.75Å; V199-L203 HydrophobicContact CG1-CG 4.14Å; V199-L203 WeakPolarHBondContact O-CB 3.45Å; V199-L203 VanDerWaalsContact O-CG 3.32Å; V199-L203 WeakPolarHBondContact O-CG 3.49Å; V199-L203 PolarHBondContact O-N 3.23Å
200G64.1Low62.4Low26 Ų2678.6 Ų78.627%0.26839%0.386SS..Hα-helixtrans-56.5-45.8172.600000111.4R196 L202 L203 N204R196-G200 PolarHBondContact O-N 3.07Å; G200-L202 PolarHBondContact O-N 3.21Å; G200-L203 PolarHBondContact O-N 2.64Å; G200-N204 WeakPolarHBondContact O-CB 3.21Å; G200-N204 PolarHBondContact O-N 3.46Å; G200-N204 PolarHBondContact O-ND2 3.03Å
201A65.7Low60.3Low57 Ų5781.2 Ų81.247%0.47140%0.404SS..Hα-helixtrans-63.3-39.3172.200000112.2R197 V199 L203 N204 F205R197-A201 VanDerWaalsContact O-CB 3.3Å; R197-A201 WeakPolarHBondContact O-CB 3.27Å; R197-A201 PolarHBondContact O-N 3.08Å; V199-A201 VanDerWaalsContact C-N 3.3Å; V199-A201 PolarHBondContact O-N 3.44Å; A201-L203 VanDerWaalsContact C-N 3.34Å; A201-L203 PolarHBondContact O-N 3.35Å; A201-N204 PolarHBondContact O-N 3.25Å; A201-F205 WeakPolarHBondContact O-CA 3.46Å; A201-F205 WeakPolarHBondContact O-CB 3.39Å; A201-F205 PolarHBondContact O-N 3.34Å
202L65Low58.1Low29 Ų2981.3 Ų81.315%0.15241%0.408CS..Hα-helixtrans-62.4-40.8178.2-161.694.3000112.6H174 K177 L178 R198 V199 G200 A206H174-L202 HydrophobicContact CB-CD2 4.47Å; K177-L202 HydrophobicContact CB-CD1 3.37Å; K177-L202 HydrophobicContact CB-CD2 3.73Å; K177-L202 HydrophobicContact CB-CG 4.12Å; K177-L202 HydrophobicContact CD-CD1 4.41Å; K177-L202 HydrophobicContact CG-CD1 3.82Å; L178-L202 HydrophobicContact CD2-CD2 4.02Å; L178-L202 HydrophobicContact CG-CD2 3.95Å; R198-L202 VanDerWaalsContact O-CB 3.3Å; R198-L202 WeakPolarHBondContact O-CB 3.42Å; R198-L202 PolarHBondContact O-N 3.27Å; V199-L202 WeakPolarHBondContact O-CA 3.48Å; V199-L202 VanDerWaalsContact O-CB 3.31Å; V199-L202 WeakPolarHBondContact O-CB 3.2Å; V199-L202 PolarHBondContact O-N 3.36Å; G200-L202 PolarHBondContact O-N 3.21Å; L202-A206 WeakPolarHBondContact O-CB 3.1Å
203L63.5Low55.9Low46 Ų4683 Ų8324%0.24143%0.429CS..Hα-helixtrans-80.4-36.1-179.4-62.5176000111.3V199 G200 A201 V208V199-L203 HydrophobicContact CG1-CD1 3.75Å; V199-L203 HydrophobicContact CG1-CG 4.14Å; V199-L203 WeakPolarHBondContact O-CB 3.45Å; V199-L203 VanDerWaalsContact O-CG 3.32Å; V199-L203 WeakPolarHBondContact O-CG 3.49Å; V199-L203 PolarHBondContact O-N 3.23Å; G200-L203 PolarHBondContact O-N 2.64Å; A201-L203 VanDerWaalsContact C-N 3.34Å; A201-L203 PolarHBondContact O-N 3.35Å; L203-V208 PolarHBondContact O-N 3.4Å
204N56.9Low53.9Low129 Ų12986.6 Ų86.669%0.6944%0.435SS*.Hα-helixtrans-76.5-39177.9-71.9-8000113.1G200 A201 A206 N207G200-N204 WeakPolarHBondContact O-CB 3.21Å; G200-N204 PolarHBondContact O-N 3.46Å; G200-N204 PolarHBondContact O-ND2 3.03Å; A201-N204 PolarHBondContact O-N 3.25Å; N204-A206 PolarHBondContact O-N 3.16Å; N204-A206 VanDerWaalsContact O-N 3.07Å; N204-N207 PolarHBondContact O-N 3.41Å
205F45.1Very low52.2Low203 Ų20384 Ų8489%0.8943%0.425SS*.THydrogen-bonded Turntrans-66-11.5178.6-163.6-96.1000112.4A201A201-F205 WeakPolarHBondContact O-CA 3.46Å; A201-F205 WeakPolarHBondContact O-CB 3.39Å; A201-F205 PolarHBondContact O-N 3.34Å
206A42.5Very low50.6Low22 Ų2288.9 Ų88.918%0.18246%0.457CS..THydrogen-bonded Turntrans-104.7-3.8-172.800000114.8H174 L202 N204 V208H174-A206 WeakPolarHBondContact CE1-CB 3.32Å; H174-A206 VanDerWaalsContact NE2-CB 3.35Å; H174-A206 WeakPolarHBondContact NE2-CB 3.49Å; L202-A206 WeakPolarHBondContact O-CB 3.1Å; N204-A206 PolarHBondContact O-N 3.16Å; N204-A206 VanDerWaalsContact O-N 3.07Å; A206-V208 HydrophobicContact CB-CG2 3.72Å; A206-V208 PolarHBondContact O-N 3.37Å
207N41.5Very low49.4Very low143 Ų14384 Ų8477%0.76545%0.45SS*.THydrogen-bonded Turntrans4649.1-167-83-9.1000110.9N204 F209N204-N207 PolarHBondContact O-N 3.41Å; N207-F209 PolarHBondContact O-N 2.89Å
208V44.8Very low48.4Very low60 Ų6080 Ų8036%0.36444%0.442SS..  trans-77.357.8167.7-173.70000108P137 L203 A206P137-V208 HydrophobicContact CG-CG1 3.96Å; L203-V208 PolarHBondContact O-N 3.4Å; A206-V208 HydrophobicContact CB-CG2 3.72Å; A206-V208 PolarHBondContact O-N 3.37Å
209F39.1Very low47.3Very low84 Ų8478.7 Ų78.737%0.36845%0.45SS..  trans-99.3110.1162.1-129.1-83.4000104.6N207 P211 Y257 W312N207-F209 PolarHBondContact O-N 2.89Å; F209-P211 WeakPolarHBondContact O-CD 3.34Å; F209-P211 VanDerWaalsContact O-N 3.11Å; F209-Y257 WeakPolarHBondContact CE1-OH 3.28Å; F209-W312 HydrophobicContact CD1-CB 3.54Å; F209-W312 AromaticContact CD1-CD2 3.99Å; F209-W312 HydrophobicContact CD1-CD2 3.99Å; F209-W312 HydrophobicContact CD1-CE3 4.24Å; F209-W312 AromaticContact CD1-CG 3.68Å; F209-W312 HydrophobicContact CD1-CG 3.68Å; F209-W312 HydrophobicContact CD2-CB 4.42Å; F209-W312 HydrophobicContact CD2-CG 4.46Å; F209-W312 HydrophobicContact CE1-CB 3.55Å; F209-W312 AromaticContact CE1-CD1 3.63Å; F209-W312 AromaticContact CE1-CD2 3.11Å; F209-W312 HydrophobicContact CE1-CD2 3.11Å; F209-W312 AromaticContact CE1-CE2 3.7Å; F209-W312 AromaticContact CE1-CE3 3.52Å; F209-W312 HydrophobicContact CE1-CE3 3.52Å; F209-W312 AromaticContact CE1-CG 3.1Å; F209-W312 HydrophobicContact CE1-CG 3.1Å; F209-W312 HydrophobicContact CE1-CZ3 4.4Å; F209-W312 AromaticContact CE1-NE1 3.94Å; F209-W312 HydrophobicContact CE2-CB 4.39Å; F209-W312 AromaticContact CE2-CD1 3.74Å; F209-W312 AromaticContact CE2-CG 3.96Å; F209-W312 HydrophobicContact CE2-CG 3.96Å; F209-W312 HydrophobicContact CG-CB 4.01Å; F209-W312 HydrophobicContact CG-CG 4.33Å; F209-W312 HydrophobicContact CZ-CB 3.98Å; F209-W312 AromaticContact CZ-CD1 3.23Å; F209-W312 AromaticContact CZ-CD2 3.47Å; F209-W312 HydrophobicContact CZ-CD2 3.47Å; F209-W312 VanDerWaalsContact CZ-CD2 3.47Å; F209-W312 AromaticContact CZ-CE2 3.6Å; F209-W312 HydrophobicContact CZ-CE3 4.29Å; F209-W312 AromaticContact CZ-CG 3.25Å; F209-W312 HydrophobicContact CZ-CG 3.25Å; F209-W312 AromaticContact CZ-NE1 3.42Å
210W41.2Very low46.4Very low81 Ų8190.4 Ų90.431%0.30749%0.494SS..  trans-33.4107.3177.1-174.7-92.9000113.7P137 P140 I215 Y257P137-W210 HydrophobicContact CB-CZ3 4.25Å; P140-W210 HydrophobicContact CB-CH2 4.44Å; P140-W210 HydrophobicContact CB-CZ2 4.47Å; P140-W210 HydrophobicContact CG-CH2 3.04Å; P140-W210 HydrophobicContact CG-CZ2 3.15Å; P140-W210 HydrophobicContact CG-CZ3 3.88Å; W210-I215 HydrophobicContact CG-CD1 4.29Å; W210-I215 HydrophobicContact CZ2-CD1 4.33Å; W210-I215 HydrophobicContact CZ2-CG1 3.81Å; W210-I215 VanDerWaalsContact NE1-CD1 3.3Å; W210-Y257 HydrophobicContact CB-CE1 4.48Å
211P32.5Very low45.9Very low68 Ų6895 Ų9544%0.44251%0.511SS..  trans-93.6125.9169.9127.5000109.5F209F209-P211 WeakPolarHBondContact O-CD 3.34Å; F209-P211 VanDerWaalsContact O-N 3.11Å
212L32.9Very low46.1Very low120 Ų12098.7 Ų98.763%0.62853%0.529SS*.SBendtrans81.696.9146.7-52.2167.3000118.7E310L212-E310 HydrophobicContact CD2-CG 4.04Å; L212-E310 VanDerWaalsContact CD2-OE1 3.28Å; L212-E310 WeakPolarHBondContact CD2-OE1 3.48Å
213G31Very low45.4Very low56 Ų56102 Ų10258%0.57755%0.554SS**SBendtrans106.2112.2142.900000116.8
214E33Very low46Very low140 Ų140106.9 Ų106.965%0.65459%0.586SS**  trans49.888.7167.2-64.5177.6-172.900116K144 P216K144-E214 IonicContact NZ-OE2 2.81Å; K144-E214 PolarHBondContact NZ-OE2 3.47Å; E214-P216 WeakPolarHBondContact O-CD 3.35Å
215I42.3Very low46.7Very low33 Ų33103.2 Ų103.217%0.16957%0.568CS.*  trans-90.3113.8172.7-54.1177.7000108.3W210 A217 Y257W210-I215 HydrophobicContact CG-CD1 4.29Å; W210-I215 HydrophobicContact CZ2-CD1 4.33Å; W210-I215 HydrophobicContact CZ2-CG1 3.81Å; W210-I215 VanDerWaalsContact NE1-CD1 3.3Å; I215-A217 PolarHBondContact O-N 3.25Å; I215-Y257 HydrophobicContact CD1-CD1 3.23Å; I215-Y257 HydrophobicContact CD1-CE1 3.34Å; I215-Y257 HydrophobicContact CD1-CG 4.32Å
216P40.9Very low48.3Very low101 Ų10196.3 Ų96.366%0.65654%0.544SS*.  trans-61.5132.9164.1-1227.1000108E214 L218E214-P216 WeakPolarHBondContact O-CD 3.35Å; P216-L218 PolarHBondContact O-N 2.9Å
217A44.8Very low50.3Low55 Ų55100.7 Ų100.746%0.45557%0.573SS.*  trans-34.1132.7-178.900000113.1I215 P219I215-A217 PolarHBondContact O-N 3.25Å; A217-P219 VanDerWaalsContact O-N 3.13Å
218L48.1Very low52.5Low95 Ų95102.1 Ų102.150%0.49757%0.569SS.*  trans-40.6118.7-175.7-67.6174.1000111.4P216 R220 L258P216-L218 PolarHBondContact O-N 2.9Å; L218-R220 PolarHBondContact O-N 3.4Å; L218-L258 HydrophobicContact CD1-CD2 3.74Å; L218-L258 HydrophobicContact CG-CD2 4.18Å
219P47.6Very low53.9Low104 Ų104104.7 Ų104.768%0.67557%0.573SS**  trans-62.3128.7-17823.5-31.6000109.5A217 M221A217-P219 VanDerWaalsContact O-N 3.13Å; P219-M221 PolarHBondContact O-N 3.33Å; P219-M221 VanDerWaalsContact O-N 3.15Å
220R52.5Low55.7Low246 Ų246105.9 Ų105.993%0.92859%0.589SS**  trans-68.7111.7172-65.8-171.1-175.7-160.41.7108.1L218 P222L218-R220 PolarHBondContact O-N 3.4Å; R220-P222 WeakPolarHBondContact O-CD 3.3Å
221M53.2Low57.6Low124 Ų124107.7 Ų107.761%0.61160%0.601SS**  trans-111.599.3173.9-73.6-179.351.500109.4F135 P219 C223F135-M221 HydrophobicContact CZ-CE 4.34Å; P219-M221 PolarHBondContact O-N 3.33Å; P219-M221 VanDerWaalsContact O-N 3.15Å; M221-C223 PolarHBondContact O-N 3.37Å
222P68.9Low59.4Low133 Ų133107.5 Ų107.586%0.86461%0.605SS**  trans-60.8131173.5-20.132.2000110.2R220R220-P222 WeakPolarHBondContact O-CD 3.3Å
223C50.4Low60.9Low98 Ų98107.3 Ų107.366%0.66261%0.609SS**  trans-136.3150.8170.167.30000109.5M221 T225M221-C223 PolarHBondContact O-N 3.37Å; C223-T225 PolarHBondContact O-N 2.85Å; C223-T225 VanDerWaalsContact O-N 3.14Å
224T76.9Confident62.3Low149 Ų149111.3 Ų111.391%0.91461%0.613SS**  trans-71.9107.8173.2-49.80000108.1
225T71.1Confident63.7Low52 Ų52110.2 Ų110.232%0.31962%0.618SS.*  trans-94.4145.6174.463.40000110.1C223 S227 Q231C223-T225 PolarHBondContact O-N 2.85Å; C223-T225 VanDerWaalsContact O-N 3.14Å; T225-S227 PolarHBondContact O-N 3.14Å; T225-Q231 PolarHBondContact OG1-NE2 3.37Å; T225-Q231 PolarHBondContact OG1-OE1 3.29Å; T225-Q231 VanDerWaalsContact OG1-OE1 3.09Å
226P78.7Confident64.9Low59 Ų59112.9 Ų112.938%0.38364%0.637SS.*  trans-53.8139173.9-26.932.7000112.2Y228 Y229 Q231P226-Y228 HydrophobicContact CB-CD1 3.63Å; P226-Y228 HydrophobicContact CB-CE1 3.17Å; P226-Y228 HydrophobicContact CB-CE2 4.27Å; P226-Y228 HydrophobicContact CB-CG 4.34Å; P226-Y228 HydrophobicContact CG-CE1 3.99Å; P226-Y228 PolarHBondContact O-N 3.13Å; P226-Y229 HydrophobicContact CB-CD2 3.96Å; P226-Y229 HydrophobicContact CB-CE2 4.3Å; P226-Y229 HydrophobicContact CG-CD2 4.01Å; P226-Y229 HydrophobicContact CG-CE2 4.02Å; P226-Y229 PolarHBondContact O-N 3.49Å; P226-Q231 PolarHBondContact O-NE2 3.18Å
227S85.2Confident66.2Low114 Ų114111 Ų11180%0.79762%0.621SS**THydrogen-bonded Turntrans-61.7-17.1-172.854.10000115T225 Y229T225-S227 PolarHBondContact O-N 3.14Å; S227-Y229 VanDerWaalsContact C-N 3.32Å
228Y88.1Confident67.7Low172 Ų172114.2 Ų114.268%0.67563%0.627SS**THydrogen-bonded Turntrans-78.1-13.7174.863-102.5000113.6P226P226-Y228 HydrophobicContact CB-CD1 3.63Å; P226-Y228 HydrophobicContact CB-CE1 3.17Å; P226-Y228 HydrophobicContact CB-CE2 4.27Å; P226-Y228 HydrophobicContact CB-CG 4.34Å; P226-Y228 HydrophobicContact CG-CE1 3.99Å; P226-Y228 PolarHBondContact O-N 3.13Å
229Y73.7Confident69.5Low114 Ų114111.1 Ų111.145%0.44761%0.613SS.*SBendtrans-81.5150.9168.2-71.6-68.1000110.7P226 S227 Q231P226-Y229 HydrophobicContact CB-CD2 3.96Å; P226-Y229 HydrophobicContact CB-CE2 4.3Å; P226-Y229 HydrophobicContact CG-CD2 4.01Å; P226-Y229 HydrophobicContact CG-CE2 4.02Å; P226-Y229 PolarHBondContact O-N 3.49Å; S227-Y229 VanDerWaalsContact C-N 3.32Å; Y229-Q231 PolarHBondContact O-N 2.93Å; Y229-Q231 PolarHBondContact O-NE2 3.11Å
230P76.7Confident71.6Confident110 Ų110108 Ų10871%0.71459%0.59SS**  trans-56.7111.9173.2-24.234.3000111.4A232P230-A232 VanDerWaalsContact C-N 3.34Å
231Q79.9Confident73.4Confident118 Ų118103 Ų10355%0.55158%0.578SS**SBendtrans-80-19.2179.9-60.6-56.1-58.100112.9T225 P226 Y229T225-Q231 PolarHBondContact OG1-NE2 3.37Å; T225-Q231 PolarHBondContact OG1-OE1 3.29Å; T225-Q231 VanDerWaalsContact OG1-OE1 3.09Å; P226-Q231 PolarHBondContact O-NE2 3.18Å; Y229-Q231 PolarHBondContact O-N 2.93Å; Y229-Q231 PolarHBondContact O-NE2 3.11Å
232A72.3Confident75.2Confident64 Ų64101.4 Ų101.453%0.52957%0.565SS.*SBendtrans-132.4143.7178.400000109.8P230 Q234P230-A232 VanDerWaalsContact C-N 3.34Å; A232-Q234 PolarHBondContact O-N 2.87Å
233T64.3Low76.3Confident117 Ų11795.8 Ų95.872%0.71853%0.527SS*.PPolyproline II helixtrans-62.8123.2168.741.60000109.3P235 L237T233-P235 WeakPolarHBondContact O-CD 3.47Å; T233-L237 HydrophobicContact CG2-CD1 4.05Å
234Q59.6Low78.3Confident140 Ų14094.5 Ų94.565%0.65451%0.512SS*.PPolyproline II helixtrans-73.7122.2175-62.7-66.8-45.600109A232 L237A232-Q234 PolarHBondContact O-N 2.87Å; Q234-L237 WeakPolarHBondContact O-CD1 3.49Å; Q234-L237 WeakPolarHBondContact O-CG 3.44Å
235P62.7Low79Confident117 Ų11797.2 Ų97.276%0.7651%0.505SS*.THydrogen-bonded Turntrans-64.3142.4168.9-17.631.9000110.1T233T233-P235 WeakPolarHBondContact O-CD 3.47Å
236P66.8Low79.8Confident88 Ų8895.7 Ų95.757%0.57150%0.495SS*.THydrogen-bonded Turncis-11764.919.241.2-28.3000112.2E238 S239P236-E238 PolarHBondContact O-N 3.49Å; P236-S239 WeakPolarHBondContact O-CB 3.44Å; P236-S239 PolarHBondContact O-N 3.41Å; P236-S239 PolarHBondContact O-OG 2.85Å
237L68.9Low80.4Confident61 Ų6196.7 Ų96.732%0.31950%0.502SS..THydrogen-bonded Turntrans-57.1-9.1174.8-71.3166.1000114.4T233 Q234 Y242 Y243T233-L237 HydrophobicContact CG2-CD1 4.05Å; Q234-L237 WeakPolarHBondContact O-CD1 3.49Å; Q234-L237 WeakPolarHBondContact O-CG 3.44Å; L237-Y242 HydrophobicContact CB-CE1 4.46Å; L237-Y242 HydrophobicContact CD2-CD1 4.15Å; L237-Y242 HydrophobicContact CD2-CD2 4.05Å; L237-Y242 HydrophobicContact CD2-CE1 3.54Å; L237-Y242 HydrophobicContact CD2-CE2 3.43Å; L237-Y242 VanDerWaalsContact CD2-CE2 3.43Å; L237-Y242 HydrophobicContact CD2-CG 4.38Å; L237-Y242 VanDerWaalsContact CD2-OH 3.28Å; L237-Y242 WeakPolarHBondContact CD2-OH 3.49Å; L237-Y242 VanDerWaalsContact O-CD1 3.3Å; L237-Y242 WeakPolarHBondContact O-CD1 3.44Å; L237-Y243 WeakPolarHBondContact O-CE2 3.4Å
238E74.9Confident80.6Confident124 Ų12493 Ų9358%0.57947%0.474SS*.THydrogen-bonded Turntrans-101.45.5175-58.7-170.6-175.400114P236 R262 L266P236-E238 PolarHBondContact O-N 3.49Å; E238-R262 IonicContact OE2-CZ 3.43Å; E238-R262 IonicContact OE2-NE 2.77Å; E238-R262 IonicContact OE2-NH1 2.72Å; E238-R262 PolarHBondContact OE2-NH1 3.13Å; E238-L266 WeakPolarHBondContact O-CD1 3.34Å
239S87.4Confident80.6Confident30 Ų3089.8 Ų89.821%0.2147%0.465CS..SBendtrans-80.8149.8178.877.50000112.1P236 E241 Y242 Y243P236-S239 WeakPolarHBondContact O-CB 3.44Å; P236-S239 PolarHBondContact O-N 3.41Å; P236-S239 PolarHBondContact O-OG 2.85Å; S239-E241 PolarHBondContact O-N 3.23Å; S239-Y242 WeakPolarHBondContact O-CB 3.48Å; S239-Y242 PolarHBondContact O-N 3.47Å; S239-Y242 WeakPolarHBondContact OG-CB 3.46Å; S239-Y242 PolarHBondContact OG-N 3.41Å; S239-Y242 VanDerWaalsContact OG-N 3.08Å; S239-Y243 WeakPolarHBondContact O-CD2 3.41Å; S239-Y243 PolarHBondContact O-N 2.91Å
240M90.8Very high81.2Confident38 Ų3886.9 Ų86.919%0.18746%0.46CS..Hα-helixtrans-61-35.5172.6-173.364.9-169.300111.8Y242 Y243 M244 L266 K269 A270 K273M240-Y242 VanDerWaalsContact C-N 3.31Å; M240-Y242 PolarHBondContact O-N 2.95Å; M240-Y243 PolarHBondContact O-N 2.9Å; M240-M244 HydrophobicContact CE-CG 4Å; M240-M244 HydrophobicContact CE-SD 3.78Å; M240-M244 HydrophobicContact CG-CG 4.46Å; M240-M244 VanDerWaalsContact O-CG 3.31Å; M240-M244 WeakPolarHBondContact O-CG 3.44Å; M240-M244 PolarHBondContact O-N 2.69Å; M240-L266 HydrophobicContact SD-CD2 4.42Å; M240-K269 HydrophobicContact CE-CB 3.93Å; M240-K269 HydrophobicContact CE-CD 4.45Å; M240-K269 HydrophobicContact CE-CG 3.74Å; M240-K269 HydrophobicContact SD-CB 4.02Å; M240-K269 HydrophobicContact SD-CD 4.11Å; M240-K269 HydrophobicContact SD-CG 3.97Å; M240-A270 HydrophobicContact CE-CB 4.02Å; M240-K273 HydrophobicContact CE-CD 3.63Å; M240-K273 HydrophobicContact CE-CG 4.11Å
241E90.9Very high81.8Confident142 Ų14281.7 Ų81.766%0.66443%0.426SS*.Hα-helixtrans-62.4-37.9177.3-65.4177.5-17900112.3S239 R245S239-E241 PolarHBondContact O-N 3.23Å; E241-R245 WeakPolarHBondContact O-CG 3.34Å; E241-R245 PolarHBondContact O-N 2.94Å
242Y90.8Very high82.2Confident89 Ų8976 Ų7635%0.34940%0.399SS..Hα-helixtrans-64.2-49.3174.1176.8-103.7000110.9L237 S239 M240 M244 R245 L246L237-Y242 HydrophobicContact CB-CE1 4.46Å; L237-Y242 HydrophobicContact CD2-CD1 4.15Å; L237-Y242 HydrophobicContact CD2-CD2 4.05Å; L237-Y242 HydrophobicContact CD2-CE1 3.54Å; L237-Y242 HydrophobicContact CD2-CE2 3.43Å; L237-Y242 VanDerWaalsContact CD2-CE2 3.43Å; L237-Y242 HydrophobicContact CD2-CG 4.38Å; L237-Y242 VanDerWaalsContact CD2-OH 3.28Å; L237-Y242 WeakPolarHBondContact CD2-OH 3.49Å; L237-Y242 VanDerWaalsContact O-CD1 3.3Å; L237-Y242 WeakPolarHBondContact O-CD1 3.44Å; S239-Y242 WeakPolarHBondContact O-CB 3.48Å; S239-Y242 PolarHBondContact O-N 3.47Å; S239-Y242 WeakPolarHBondContact OG-CB 3.46Å; S239-Y242 PolarHBondContact OG-N 3.41Å; S239-Y242 VanDerWaalsContact OG-N 3.08Å; M240-Y242 VanDerWaalsContact C-N 3.31Å; M240-Y242 PolarHBondContact O-N 2.95Å; Y242-M244 VanDerWaalsContact C-N 3.3Å; Y242-M244 PolarHBondContact O-N 2.73Å; Y242-R245 WeakPolarHBondContact O-CB 3.39Å; Y242-R245 PolarHBondContact O-N 2.92Å; Y242-L246 HydrophobicContact CD1-CD1 4.33Å; Y242-L246 HydrophobicContact CE1-CD1 3.93Å; Y242-L246 HydrophobicContact CE1-CD2 3.88Å; Y242-L246 HydrophobicContact CE1-CG 4.14Å; Y242-L246 HydrophobicContact CE2-CD2 4.35Å; Y242-L246 PolarHBondContact O-N 3.31Å
243Y91.8Very high82.7Confident16 Ų1676.7 Ų76.76%0.06339%0.391CS..Hα-helixtrans-62.1-35.3178.9-86-105.6000113L237 S239 M240 R245 L246 L251 N254 A263 L266 A267L237-Y243 WeakPolarHBondContact O-CE2 3.4Å; S239-Y243 WeakPolarHBondContact O-CD2 3.41Å; S239-Y243 PolarHBondContact O-N 2.91Å; M240-Y243 PolarHBondContact O-N 2.9Å; Y243-R245 PolarHBondContact O-N 3.28Å; Y243-L246 HydrophobicContact CD1-CD1 4.02Å; Y243-L246 HydrophobicContact CE1-CD1 4.34Å; Y243-L246 HydrophobicContact CG-CD1 4.16Å; Y243-L246 WeakPolarHBondContact O-CB 3.48Å; Y243-L246 PolarHBondContact O-N 2.87Å; Y243-L246 VanDerWaalsContact O-N 3.16Å; Y243-L251 HydrophobicContact CD1-CD2 3.79Å; Y243-N254 HydrophobicContact CE1-CB 4.46Å; Y243-N254 WeakPolarHBondContact CE1-ND2 3.38Å; Y243-A263 VanDerWaalsContact CE1-O 3.31Å; Y243-A263 WeakPolarHBondContact CE1-O 3.21Å; Y243-A263 WeakPolarHBondContact OH-CA 3.16Å; Y243-A263 WeakPolarHBondContact OH-CB 3.42Å; Y243-L266 HydrophobicContact CD1-CB 3.64Å; Y243-L266 HydrophobicContact CD2-CB 3.79Å; Y243-L266 HydrophobicContact CD2-CD1 3.91Å; Y243-L266 HydrophobicContact CD2-CG 4.43Å; Y243-L266 HydrophobicContact CE1-CB 3.66Å; Y243-L266 HydrophobicContact CE2-CB 3.82Å; Y243-L266 HydrophobicContact CE2-CD1 3.56Å; Y243-L266 HydrophobicContact CE2-CG 4.35Å; Y243-L266 HydrophobicContact CG-CB 3.71Å; Y243-A267 HydrophobicContact CD1-CB 4.16Å; Y243-A267 HydrophobicContact CE1-CB 4.02Å
244M93.1Very high83.5Confident70 Ų7072 Ų7235%0.34536%0.361SS..Hα-helixtrans-64.1-22.2175-74.4-61-6300113.7M240 Y242 A270 K273 Q274M240-M244 HydrophobicContact CE-CG 4Å; M240-M244 HydrophobicContact CE-SD 3.78Å; M240-M244 HydrophobicContact CG-CG 4.46Å; M240-M244 VanDerWaalsContact O-CG 3.31Å; M240-M244 WeakPolarHBondContact O-CG 3.44Å; M240-M244 PolarHBondContact O-N 2.69Å; Y242-M244 VanDerWaalsContact C-N 3.3Å; Y242-M244 PolarHBondContact O-N 2.73Å; M244-A270 HydrophobicContact SD-CB 4.03Å; M244-K273 HydrophobicContact CE-CB 3.81Å; M244-K273 HydrophobicContact CE-CD 4.28Å; M244-K273 HydrophobicContact SD-CB 3.63Å; M244-K273 HydrophobicContact SD-CD 3.8Å; M244-K273 HydrophobicContact SD-CG 4.26Å; M244-Q274 HydrophobicContact CE-CG 4.31Å
245R91.9Very high84.9Confident206 Ų20666.6 Ų66.678%0.77734%0.335SS*.THydrogen-bonded Turntrans-90.5-10.1176.9-65.7175.4-175.5-179.23.6113.3E241 Y242 Y243E241-R245 WeakPolarHBondContact O-CG 3.34Å; E241-R245 PolarHBondContact O-N 2.94Å; Y242-R245 WeakPolarHBondContact O-CB 3.39Å; Y242-R245 PolarHBondContact O-N 2.92Å; Y243-R245 PolarHBondContact O-N 3.28Å
246L87.8Confident85.9Confident21 Ų2162.9 Ų62.911%0.1131%0.307CS..SBendtrans-72.7142.9-180-67.2177.8000110.9Y242 Y243 V250 L251Y242-L246 HydrophobicContact CD1-CD1 4.33Å; Y242-L246 HydrophobicContact CE1-CD1 3.93Å; Y242-L246 HydrophobicContact CE1-CD2 3.88Å; Y242-L246 HydrophobicContact CE1-CG 4.14Å; Y242-L246 HydrophobicContact CE2-CD2 4.35Å; Y242-L246 PolarHBondContact O-N 3.31Å; Y243-L246 HydrophobicContact CD1-CD1 4.02Å; Y243-L246 HydrophobicContact CE1-CD1 4.34Å; Y243-L246 HydrophobicContact CG-CD1 4.16Å; Y243-L246 WeakPolarHBondContact O-CB 3.48Å; Y243-L246 PolarHBondContact O-N 2.87Å; Y243-L246 VanDerWaalsContact O-N 3.16Å; L246-V250 HydrophobicContact CB-CB 4.37Å; L246-V250 HydrophobicContact CB-CG1 4.46Å; L246-V250 HydrophobicContact CD1-CG1 4.06Å; L246-V250 HydrophobicContact CD2-CG1 4.23Å; L246-V250 HydrophobicContact CG-CG1 4.49Å; L246-L251 HydrophobicContact CB-CD2 3.9Å; L246-L251 HydrophobicContact CB-CG 4.16Å; L246-L251 HydrophobicContact CD1-CD2 4.04Å
247P91Very high86.2Confident80 Ų8060 Ų6052%0.51929%0.285SS..  trans-57.1146.7168.4-22.132.5000111.3E249 V250 L251P247-E249 PolarHBondContact O-N 3.42Å; P247-V250 HydrophobicContact CB-CG2 4.26Å; P247-V250 HydrophobicContact CG-CG2 4.2Å; P247-V250 WeakPolarHBondContact O-CB 3.38Å; P247-V250 PolarHBondContact O-N 2.93Å; P247-L251 PolarHBondContact O-N 3.36Å; P247-L251 VanDerWaalsContact O-N 3.13Å
248T89.2Confident86.5Confident35 Ų3558.8 Ų58.822%0.21528%0.278CS..Hα-helixtrans-54.8-37.4179.5470000112.5V250 L251 F252 Q274 W276 Q314T248-V250 VanDerWaalsContact C-N 3.31Å; T248-V250 PolarHBondContact O-N 3.47Å; T248-L251 WeakPolarHBondContact O-CB 3.45Å; T248-L251 PolarHBondContact O-N 3.31Å; T248-L251 VanDerWaalsContact O-N 3.11Å; T248-F252 WeakPolarHBondContact O-CD2 3.38Å; T248-F252 WeakPolarHBondContact O-CG 3.31Å; T248-F252 PolarHBondContact O-N 2.93Å; T248-Q274 VanDerWaalsContact CG2-OE1 3.31Å; T248-W276 HydrophobicContact CG2-CZ2 4.4Å; T248-Q314 PolarHBondContact OG1-NE2 2.61Å
249E87.1Confident86.8Confident105 Ų10558.3 Ų58.349%0.49128%0.276SS..Hα-helixtrans-58.3-39.6174.9-170.3178.1-175.400113P247 F252 F253 W312P247-E249 PolarHBondContact O-N 3.42Å; E249-F252 PolarHBondContact O-N 3.5Å; E249-F253 WeakPolarHBondContact O-CB 3.41Å; E249-F253 PolarHBondContact O-N 3.33Å; E249-W312 HydrophobicContact CG-CZ2 4.17Å; E249-W312 PolarHBondContact OE1-NE1 2.98Å
250V86.5Confident86.4Confident54 Ų5460.4 Ų60.433%0.32730%0.302SS..Hα-helixtrans-71.6-35.1176.5-177.80000110.8L246 P247 T248 F253 N254L246-V250 HydrophobicContact CB-CB 4.37Å; L246-V250 HydrophobicContact CB-CG1 4.46Å; L246-V250 HydrophobicContact CD1-CG1 4.06Å; L246-V250 HydrophobicContact CD2-CG1 4.23Å; L246-V250 HydrophobicContact CG-CG1 4.49Å; P247-V250 HydrophobicContact CB-CG2 4.26Å; P247-V250 HydrophobicContact CG-CG2 4.2Å; P247-V250 WeakPolarHBondContact O-CB 3.38Å; P247-V250 PolarHBondContact O-N 2.93Å; T248-V250 VanDerWaalsContact C-N 3.31Å; T248-V250 PolarHBondContact O-N 3.47Å; V250-F253 WeakPolarHBondContact O-CB 3.3Å; V250-F253 PolarHBondContact O-N 2.88Å; V250-N254 WeakPolarHBondContact O-CB 3.33Å; V250-N254 PolarHBondContact O-N 3.19Å
251L89.9Confident86Confident0 Ų061 Ų610%031%0.307CS..Hα-helixtrans-65-43173.2-61.4178.1000111.3Y243 L246 P247 T248 F253 N254 F255 A267 A270 L271Y243-L251 HydrophobicContact CD1-CD2 3.79Å; L246-L251 HydrophobicContact CB-CD2 3.9Å; L246-L251 HydrophobicContact CB-CG 4.16Å; L246-L251 HydrophobicContact CD1-CD2 4.04Å; P247-L251 PolarHBondContact O-N 3.36Å; P247-L251 VanDerWaalsContact O-N 3.13Å; T248-L251 WeakPolarHBondContact O-CB 3.45Å; T248-L251 PolarHBondContact O-N 3.31Å; T248-L251 VanDerWaalsContact O-N 3.11Å; L251-F253 VanDerWaalsContact C-N 3.32Å; L251-F253 PolarHBondContact O-N 3.3Å; L251-N254 PolarHBondContact O-N 3.45Å; L251-F255 WeakPolarHBondContact O-CB 3.35Å; L251-F255 PolarHBondContact O-N 2.89Å; L251-A267 HydrophobicContact CB-CB 4.47Å; L251-A267 HydrophobicContact CD2-CB 4.25Å; L251-A267 WeakPolarHBondContact O-CB 3.26Å; L251-A270 HydrophobicContact CD1-CB 3.93Å; L251-A270 HydrophobicContact CD2-CB 3.98Å; L251-L271 HydrophobicContact CB-CD1 4.12Å; L251-L271 HydrophobicContact CB-CD2 3.88Å; L251-L271 HydrophobicContact CB-CG 3.83Å; L251-L271 HydrophobicContact CD1-CD2 3.97Å; L251-L271 HydrophobicContact CD1-CG 4.1Å
252F88.8Confident85.8Confident0 Ų061.8 Ų61.80%031%0.305CS..Hα-helixtrans-61.3-42.2172-62.1-46.4000111.1T248 E249 N254 F255 Y256 L271 W276 W285 F307 W312T248-F252 WeakPolarHBondContact O-CD2 3.38Å; T248-F252 WeakPolarHBondContact O-CG 3.31Å; T248-F252 PolarHBondContact O-N 2.93Å; E249-F252 PolarHBondContact O-N 3.5Å; F252-N254 PolarHBondContact O-N 3.48Å; F252-F255 PolarHBondContact O-N 3.25Å; F252-Y256 HydrophobicContact CB-CD2 4.25Å; F252-Y256 HydrophobicContact CB-CE2 4.38Å; F252-Y256 HydrophobicContact CD1-CE2 4.46Å; F252-Y256 WeakPolarHBondContact O-CD2 3.46Å; F252-Y256 PolarHBondContact O-N 2.87Å; F252-L271 HydrophobicContact CD1-CD1 3.84Å; F252-L271 HydrophobicContact CD1-CD2 4.19Å; F252-L271 HydrophobicContact CE1-CD1 3.85Å; F252-L271 HydrophobicContact CE1-CD2 3.63Å; F252-L271 HydrophobicContact CE1-CG 4.41Å; F252-L271 HydrophobicContact CZ-CD2 3.99Å; F252-W276 HydrophobicContact CE1-CD2 4.43Å; F252-W276 HydrophobicContact CE1-CE3 4.32Å; F252-W276 HydrophobicContact CE1-CZ3 4.49Å; F252-W276 HydrophobicContact CE2-CH2 4.27Å; F252-W276 HydrophobicContact CE2-CZ2 4.32Å; F252-W276 AromaticContact CZ-CD2 3.98Å; F252-W276 HydrophobicContact CZ-CD2 3.98Å; F252-W276 AromaticContact CZ-CE2 3.9Å; F252-W276 AromaticContact CZ-CE3 3.91Å; F252-W276 HydrophobicContact CZ-CE3 3.91Å; F252-W276 AromaticContact CZ-CH2 3.7Å; F252-W276 HydrophobicContact CZ-CH2 3.7Å; F252-W276 AromaticContact CZ-CZ2 3.78Å; F252-W276 HydrophobicContact CZ-CZ2 3.78Å; F252-W276 AromaticContact CZ-CZ3 3.77Å; F252-W276 HydrophobicContact CZ-CZ3 3.77Å; F252-W285 HydrophobicContact CD1-CB 4.42Å; F252-W285 AromaticContact CD1-CD1 3.88Å; F252-W285 HydrophobicContact CD1-CG 4.25Å; F252-W285 HydrophobicContact CE1-CB 3.6Å; F252-W285 AromaticContact CE1-CD1 3.88Å; F252-W285 AromaticContact CE1-CG 3.78Å; F252-W285 HydrophobicContact CE1-CG 3.78Å; F252-W285 HydrophobicContact CZ-CB 4.37Å; F252-F307 HydrophobicContact CB-CD1 3.85Å; F252-F307 HydrophobicContact CB-CE1 3.63Å; F252-F307 HydrophobicContact CB-CE2 4.38Å; F252-F307 HydrophobicContact CB-CG 4.29Å; F252-F307 HydrophobicContact CB-CZ 3.91Å; F252-F307 HydrophobicContact CD1-CB 4.16Å; F252-F307 HydrophobicContact CD1-CD1 4.12Å; F252-F307 HydrophobicContact CD1-CG 4.09Å; F252-F307 HydrophobicContact CD2-CB 3.96Å; F252-F307 AromaticContact CD2-CD1 3.87Å; F252-F307 HydrophobicContact CD2-CD1 3.87Å; F252-F307 AromaticContact CD2-CD2 3.25Å; F252-F307 HydrophobicContact CD2-CD2 3.25Å; F252-F307 HydrophobicContact CD2-CE1 4.14Å; F252-F307 AromaticContact CD2-CE2 3.58Å; F252-F307 HydrophobicContact CD2-CE2 3.58Å; F252-F307 AromaticContact CD2-CG 3.4Å; F252-F307 HydrophobicContact CD2-CG 3.4Å; F252-F307 AromaticContact CD2-CZ 3.99Å; F252-F307 HydrophobicContact CD2-CZ 3.99Å; F252-F307 HydrophobicContact CE1-CB 3.94Å; F252-F307 HydrophobicContact CE1-CG 4.3Å; F252-F307 HydrophobicContact CE2-CB 3.71Å; F252-F307 HydrophobicContact CE2-CD1 4.49Å; F252-F307 AromaticContact CE2-CD2 3.51Å; F252-F307 HydrophobicContact CE2-CD2 3.51Å; F252-F307 HydrophobicContact CE2-CE2 4.23Å; F252-F307 AromaticContact CE2-CG 3.65Å; F252-F307 HydrophobicContact CE2-CG 3.65Å; F252-F307 HydrophobicContact CG-CB 4.2Å; F252-F307 AromaticContact CG-CD1 3.68Å; F252-F307 HydrophobicContact CG-CD1 3.68Å; F252-F307 AromaticContact CG-CD2 3.97Å; F252-F307 HydrophobicContact CG-CD2 3.97Å; F252-F307 AromaticContact CG-CE1 3.95Å; F252-F307 HydrophobicContact CG-CE1 3.95Å; F252-F307 HydrophobicContact CG-CE2 4.23Å; F252-F307 AromaticContact CG-CG 3.66Å; F252-F307 HydrophobicContact CG-CG 3.66Å; F252-F307 HydrophobicContact CG-CZ 4.2Å; F252-F307 HydrophobicContact CZ-CB 3.71Å; F252-F307 HydrophobicContact CZ-CD2 4.37Å; F252-F307 HydrophobicContact CZ-CG 4.1Å; F252-W312 HydrophobicContact CB-CH2 4.11Å
253F81.8Confident85.5Confident78 Ų7858.5 Ų58.534%0.34230%0.295SS..Hα-helixtrans-56.8-52.5175.7-177.9-88.3000111.3E249 V250 L251 F255 Y256 Y257 W312E249-F253 WeakPolarHBondContact O-CB 3.41Å; E249-F253 PolarHBondContact O-N 3.33Å; V250-F253 WeakPolarHBondContact O-CB 3.3Å; V250-F253 PolarHBondContact O-N 2.88Å; L251-F253 VanDerWaalsContact C-N 3.32Å; L251-F253 PolarHBondContact O-N 3.3Å; F253-F255 VanDerWaalsContact C-N 3.27Å; F253-F255 PolarHBondContact O-N 3.13Å; F253-Y256 PolarHBondContact O-N 2.95Å; F253-Y257 AromaticContact CD2-CD2 3.4Å; F253-Y257 HydrophobicContact CD2-CD2 3.4Å; F253-Y257 AromaticContact CD2-CE2 3.78Å; F253-Y257 HydrophobicContact CD2-CE2 3.78Å; F253-Y257 HydrophobicContact CD2-CG 4.18Å; F253-Y257 AromaticContact CE2-CD2 3.59Å; F253-Y257 HydrophobicContact CE2-CD2 3.59Å; F253-Y257 HydrophobicContact CE2-CE2 4.02Å; F253-Y257 AromaticContact CE2-CG 3.94Å; F253-Y257 HydrophobicContact CE2-CG 3.94Å; F253-Y257 AromaticContact CG-CD2 3.96Å; F253-Y257 HydrophobicContact CG-CD2 3.96Å; F253-Y257 HydrophobicContact CZ-CD2 4.28Å; F253-Y257 HydrophobicContact CZ-CG 4.26Å; F253-Y257 WeakPolarHBondContact O-CB 3.34Å; F253-Y257 WeakPolarHBondContact O-CD2 3.31Å; F253-Y257 PolarHBondContact O-N 3.18Å; F253-W312 HydrophobicContact CB-CH2 4.02Å; F253-W312 HydrophobicContact CB-CZ2 3.97Å; F253-W312 HydrophobicContact CD2-CH2 4.46Å; F253-W312 HydrophobicContact CD2-CZ2 4.33Å
254N82.2Confident85.5Confident19 Ų1959.6 Ų59.610%0.10230%0.301CS..Hα-helixtrans-61.1-37.6178.1-71.2-10000111.9Y243 V250 L251 F252 L258 A267Y243-N254 HydrophobicContact CE1-CB 4.46Å; Y243-N254 WeakPolarHBondContact CE1-ND2 3.38Å; V250-N254 WeakPolarHBondContact O-CB 3.33Å; V250-N254 PolarHBondContact O-N 3.19Å; L251-N254 PolarHBondContact O-N 3.45Å; F252-N254 PolarHBondContact O-N 3.48Å; N254-L258 HydrophobicContact CB-CD1 4.27Å; N254-L258 VanDerWaalsContact O-CB 3.3Å; N254-L258 WeakPolarHBondContact O-CB 3.41Å; N254-L258 PolarHBondContact O-N 2.86Å; N254-A267 HydrophobicContact CB-CB 3.74Å
255F88.1Confident85.4Confident25 Ų2560.1 Ų60.111%0.1130%0.3CS..Hα-helixtrans-68.4-44.3-179.9-178.1-94.8000113.2L251 F252 F253 Q264 A267 A268 F278 W285L251-F255 WeakPolarHBondContact O-CB 3.35Å; L251-F255 PolarHBondContact O-N 2.89Å; F252-F255 PolarHBondContact O-N 3.25Å; F253-F255 VanDerWaalsContact C-N 3.27Å; F253-F255 PolarHBondContact O-N 3.13Å; F255-Q264 HydrophobicContact CD2-CG 3.83Å; F255-Q264 HydrophobicContact CE2-CG 4.23Å; F255-Q264 HydrophobicContact CG-CG 4.48Å; F255-Q264 PolarHBondContact O-NE2 2.76Å; F255-A267 HydrophobicContact CB-CB 4.44Å; F255-A268 HydrophobicContact CD2-CB 3.99Å; F255-A268 HydrophobicContact CE2-CB 4.06Å; F255-F278 HydrophobicContact CE1-CD2 4.04Å; F255-F278 AromaticContact CE1-CE2 3.43Å; F255-F278 HydrophobicContact CE1-CE2 3.43Å; F255-F278 VanDerWaalsContact CE1-CE2 3.43Å; F255-F278 AromaticContact CE1-CZ 3.92Å; F255-F278 HydrophobicContact CE1-CZ 3.92Å; F255-F278 AromaticContact CZ-CD2 3.91Å; F255-F278 HydrophobicContact CZ-CD2 3.91Å; F255-F278 HydrophobicContact CZ-CE1 4.43Å; F255-F278 AromaticContact CZ-CE2 3.58Å; F255-F278 HydrophobicContact CZ-CE2 3.58Å; F255-F278 HydrophobicContact CZ-CG 4.46Å; F255-F278 AromaticContact CZ-CZ 3.85Å; F255-F278 HydrophobicContact CZ-CZ 3.85Å; F255-W285 AromaticContact CD1-NE1 3.22Å; F255-W285 AromaticContact CD2-CZ2 3.72Å; F255-W285 HydrophobicContact CD2-CZ2 3.72Å; F255-W285 AromaticContact CD2-NE1 3.81Å; F255-W285 AromaticContact CE1-NE1 3.31Å; F255-W285 VanDerWaalsContact CE1-NE1 3.31Å; F255-W285 AromaticContact CE2-CZ2 3.54Å; F255-W285 HydrophobicContact CE2-CZ2 3.54Å; F255-W285 AromaticContact CE2-NE1 3.88Å; F255-W285 HydrophobicContact CG-CZ2 4.27Å; F255-W285 AromaticContact CG-NE1 3.48Å; F255-W285 AromaticContact CZ-CZ2 3.96Å; F255-W285 HydrophobicContact CZ-CZ2 3.96Å; F255-W285 AromaticContact CZ-NE1 3.63Å
256Y83.1Confident85.4Confident40 Ų4050.8 Ų50.816%0.15727%0.265CS..Hα-helixtrans-87.7-32-174.7-72.7-68.9000113.9F252 F253 K283 M284 F307 F309 W312F252-Y256 HydrophobicContact CB-CD2 4.25Å; F252-Y256 HydrophobicContact CB-CE2 4.38Å; F252-Y256 HydrophobicContact CD1-CE2 4.46Å; F252-Y256 WeakPolarHBondContact O-CD2 3.46Å; F252-Y256 PolarHBondContact O-N 2.87Å; F253-Y256 PolarHBondContact O-N 2.95Å; Y256-K283 WeakPolarHBondContact CE1-O 3.19Å; Y256-K283 PolarHBondContact OH-O 2.84Å; Y256-M284 WeakPolarHBondContact OH-CA 3.45Å; Y256-F307 HydrophobicContact CD2-CD1 4.43Å; Y256-F307 HydrophobicContact CD2-CE1 4.32Å; Y256-F307 AromaticContact CE2-CD1 3.82Å; Y256-F307 HydrophobicContact CE2-CD1 3.82Å; Y256-F307 HydrophobicContact CE2-CE1 4.15Å; Y256-F309 HydrophobicContact CD1-CB 4.24Å; Y256-F309 HydrophobicContact CD1-CG 4.35Å; Y256-F309 HydrophobicContact CD2-CB 4.12Å; Y256-F309 HydrophobicContact CE1-CB 4.01Å; Y256-F309 AromaticContact CE1-CD1 3.84Å; Y256-F309 HydrophobicContact CE1-CD1 3.84Å; Y256-F309 AromaticContact CE1-CG 3.96Å; Y256-F309 HydrophobicContact CE1-CG 3.96Å; Y256-F309 HydrophobicContact CE2-CB 3.91Å; Y256-F309 HydrophobicContact CG-CB 4.3Å; Y256-F309 AromaticContact CZ-CD1 3.95Å; Y256-W312 HydrophobicContact CD2-CZ3 4.4Å
257Y73.8Confident85.6Confident28 Ų2849.8 Ų49.811%0.1126%0.26CS..Hα-helixtrans-101-18.8-174.6-68.5-82000114.4F209 W210 I215 F253 W312F209-Y257 WeakPolarHBondContact CE1-OH 3.28Å; W210-Y257 HydrophobicContact CB-CE1 4.48Å; I215-Y257 HydrophobicContact CD1-CD1 3.23Å; I215-Y257 HydrophobicContact CD1-CE1 3.34Å; I215-Y257 HydrophobicContact CD1-CG 4.32Å; F253-Y257 AromaticContact CD2-CD2 3.4Å; F253-Y257 HydrophobicContact CD2-CD2 3.4Å; F253-Y257 AromaticContact CD2-CE2 3.78Å; F253-Y257 HydrophobicContact CD2-CE2 3.78Å; F253-Y257 HydrophobicContact CD2-CG 4.18Å; F253-Y257 AromaticContact CE2-CD2 3.59Å; F253-Y257 HydrophobicContact CE2-CD2 3.59Å; F253-Y257 HydrophobicContact CE2-CE2 4.02Å; F253-Y257 AromaticContact CE2-CG 3.94Å; F253-Y257 HydrophobicContact CE2-CG 3.94Å; F253-Y257 AromaticContact CG-CD2 3.96Å; F253-Y257 HydrophobicContact CG-CD2 3.96Å; F253-Y257 HydrophobicContact CZ-CD2 4.28Å; F253-Y257 HydrophobicContact CZ-CG 4.26Å; F253-Y257 WeakPolarHBondContact O-CB 3.34Å; F253-Y257 WeakPolarHBondContact O-CD2 3.31Å; F253-Y257 PolarHBondContact O-N 3.18Å; Y257-W312 HydrophobicContact CD2-CH2 4.27Å; Y257-W312 HydrophobicContact CD2-CZ3 4.38Å; Y257-W312 HydrophobicContact CE2-CE3 4.21Å; Y257-W312 AromaticContact CE2-CH2 3.76Å; Y257-W312 HydrophobicContact CE2-CH2 3.76Å; Y257-W312 AromaticContact CE2-CZ3 3.56Å; Y257-W312 HydrophobicContact CE2-CZ3 3.56Å
258L75.9Confident85.8Confident34 Ų3446.4 Ų46.418%0.17824%0.239CC..SBendtrans-109.540.8178.3-50.6177.8000111.3L218 N254 G260 T261 A263 Q264L218-L258 HydrophobicContact CD1-CD2 3.74Å; L218-L258 HydrophobicContact CG-CD2 4.18Å; N254-L258 HydrophobicContact CB-CD1 4.27Å; N254-L258 VanDerWaalsContact O-CB 3.3Å; N254-L258 WeakPolarHBondContact O-CB 3.41Å; N254-L258 PolarHBondContact O-N 2.86Å; L258-G260 PolarHBondContact O-N 2.92Å; L258-T261 HydrophobicContact CB-CG2 4.29Å; L258-T261 WeakPolarHBondContact CB-OG1 3.2Å; L258-T261 WeakPolarHBondContact O-CB 3.07Å; L258-T261 WeakPolarHBondContact O-CG2 3.33Å; L258-T261 PolarHBondContact O-N 2.86Å; L258-T261 PolarHBondContact O-OG1 3.4Å; L258-A263 HydrophobicContact CB-CB 4.31Å; L258-A263 HydrophobicContact CD1-CB 3.6Å; L258-Q264 WeakPolarHBondContact O-CB 3.4Å
259E80.1Confident86.1Confident115 Ų11547.2 Ų47.254%0.53724%0.239SC..THydrogen-bonded Turntrans-55.2135.5-178.8-173.2173.4-168.500112T261E259-T261 VanDerWaalsContact C-N 3.3Å; E259-T261 PolarHBondContact O-N 2.84Å
260G79Confident86.5Confident73 Ų7342.2 Ų42.275%0.75322%0.216SC*.THydrogen-bonded Turntrans78.76.7-179.200000114.9L258L258-G260 PolarHBondContact O-N 2.92Å
261T83.3Confident86.9Confident50 Ų5039.7 Ų39.731%0.30720%0.2SC..SBendtrans-105.1162.3-179.773.70000113L258 E259 A263 Q264 Y265L258-T261 HydrophobicContact CB-CG2 4.29Å; L258-T261 WeakPolarHBondContact CB-OG1 3.2Å; L258-T261 WeakPolarHBondContact O-CB 3.07Å; L258-T261 WeakPolarHBondContact O-CG2 3.33Å; L258-T261 PolarHBondContact O-N 2.86Å; L258-T261 PolarHBondContact O-OG1 3.4Å; E259-T261 VanDerWaalsContact C-N 3.3Å; E259-T261 PolarHBondContact O-N 2.84Å; T261-A263 PolarHBondContact O-N 2.83Å; T261-A263 WeakPolarHBondContact OG1-CB 3.26Å; T261-A263 PolarHBondContact OG1-N 3.42Å; T261-Q264 PolarHBondContact O-N 3.09Å; T261-Q264 VanDerWaalsContact O-N 3.13Å; T261-Q264 PolarHBondContact OG1-N 3.32Å; T261-Y265 PolarHBondContact O-N 3.49Å
262R86.5Confident87.2Confident160 Ų16041.8 Ų41.860%0.60421%0.21SC*.Hα-helixtrans-55-32.6168.7-175.5177.5-177.7160.46.9112.2E238 Y265 L266E238-R262 IonicContact OE2-CZ 3.43Å; E238-R262 IonicContact OE2-NE 2.77Å; E238-R262 IonicContact OE2-NH1 2.72Å; E238-R262 PolarHBondContact OE2-NH1 3.13Å; R262-Y265 PolarHBondContact O-N 3.43Å; R262-L266 HydrophobicContact CG-CD1 4.09Å; R262-L266 HydrophobicContact CG-CG 4.37Å; R262-L266 WeakPolarHBondContact O-CG 3.47Å; R262-L266 PolarHBondContact O-N 3.5Å
263A85.6Confident87.5Confident19 Ų1948.1 Ų48.116%0.15724%0.237CC..Hα-helixtrans-65.4-38.5178.700000112.5Y243 L258 T261 A267Y243-A263 VanDerWaalsContact CE1-O 3.31Å; Y243-A263 WeakPolarHBondContact CE1-O 3.21Å; Y243-A263 WeakPolarHBondContact OH-CA 3.16Å; Y243-A263 WeakPolarHBondContact OH-CB 3.42Å; L258-A263 HydrophobicContact CB-CB 4.31Å; L258-A263 HydrophobicContact CD1-CB 3.6Å; T261-A263 PolarHBondContact O-N 2.83Å; T261-A263 WeakPolarHBondContact OG1-CB 3.26Å; T261-A263 PolarHBondContact OG1-N 3.42Å; A263-A267 VanDerWaalsContact O-CB 3.3Å; A263-A267 WeakPolarHBondContact O-CB 3.37Å; A263-A267 PolarHBondContact O-N 3.36Å
264Q90.6Very high88.1Confident39 Ų3946.6 Ų46.618%0.18223%0.231CC..Hα-helixtrans-64.6-44.2173.6174.9-177.753.400111.1F255 L258 T261 L266 A267 A268F255-Q264 HydrophobicContact CD2-CG 3.83Å; F255-Q264 HydrophobicContact CE2-CG 4.23Å; F255-Q264 HydrophobicContact CG-CG 4.48Å; F255-Q264 PolarHBondContact O-NE2 2.76Å; L258-Q264 WeakPolarHBondContact O-CB 3.4Å; T261-Q264 PolarHBondContact O-N 3.09Å; T261-Q264 VanDerWaalsContact O-N 3.13Å; T261-Q264 PolarHBondContact OG1-N 3.32Å; Q264-L266 PolarHBondContact O-N 2.88Å; Q264-A267 PolarHBondContact O-N 3.41Å; Q264-A268 WeakPolarHBondContact O-CB 3.46Å; Q264-A268 PolarHBondContact O-N 3.04Å
265Y91.3Very high88.7Confident81 Ų8149.3 Ų49.332%0.31825%0.252SS..Hα-helixtrans-58.5-48.5176.6168.7-92.3000111.8T261 R262 A267 A268 K269 L332 G333T261-Y265 PolarHBondContact O-N 3.49Å; R262-Y265 PolarHBondContact O-N 3.43Å; Y265-A267 VanDerWaalsContact C-N 3.34Å; Y265-A267 PolarHBondContact O-N 2.86Å; Y265-A268 PolarHBondContact O-N 3.36Å; Y265-K269 HydrophobicContact CE1-CD 4.11Å; Y265-K269 WeakPolarHBondContact O-CB 3.47Å; Y265-K269 PolarHBondContact O-N 2.91Å; Y265-K269 PolarHBondContact OH-NZ 2.87Å; Y265-L332 HydrophobicContact CD2-CB 4.41Å; Y265-L332 HydrophobicContact CD2-CD2 3.85Å; Y265-L332 HydrophobicContact CE2-CB 3.71Å; Y265-L332 HydrophobicContact CE2-CD2 3.85Å; Y265-L332 HydrophobicContact CE2-CG 4.28Å; Y265-L332 PolarHBondContact OH-O 2.88Å; Y265-G333 PolarHBondContact OH-O 2.88Å
266L92.6Very high89.1Confident11 Ų1148.3 Ų48.36%0.05825%0.247CC..Hα-helixtrans-64.5-38.9178.6-68.8171.5000111.9E238 M240 Y243 R262 Q264 K269 A270E238-L266 WeakPolarHBondContact O-CD1 3.34Å; M240-L266 HydrophobicContact SD-CD2 4.42Å; Y243-L266 HydrophobicContact CD1-CB 3.64Å; Y243-L266 HydrophobicContact CD2-CB 3.79Å; Y243-L266 HydrophobicContact CD2-CD1 3.91Å; Y243-L266 HydrophobicContact CD2-CG 4.43Å; Y243-L266 HydrophobicContact CE1-CB 3.66Å; Y243-L266 HydrophobicContact CE2-CB 3.82Å; Y243-L266 HydrophobicContact CE2-CD1 3.56Å; Y243-L266 HydrophobicContact CE2-CG 4.35Å; Y243-L266 HydrophobicContact CG-CB 3.71Å; R262-L266 HydrophobicContact CG-CD1 4.09Å; R262-L266 HydrophobicContact CG-CG 4.37Å; R262-L266 WeakPolarHBondContact O-CG 3.47Å; R262-L266 PolarHBondContact O-N 3.5Å; Q264-L266 PolarHBondContact O-N 2.88Å; L266-K269 PolarHBondContact O-N 3.15Å; L266-A270 WeakPolarHBondContact O-CB 3.29Å; L266-A270 PolarHBondContact O-N 2.87Å
267A92Very high89.7Confident0 Ų051.7 Ų51.70%026%0.259CS..Hα-helixtrans-63.7-46175.400000112.3Y243 L251 N254 F255 A263 Q264 Y265 K269 A270 L271Y243-A267 HydrophobicContact CD1-CB 4.16Å; Y243-A267 HydrophobicContact CE1-CB 4.02Å; L251-A267 HydrophobicContact CB-CB 4.47Å; L251-A267 HydrophobicContact CD2-CB 4.25Å; L251-A267 WeakPolarHBondContact O-CB 3.26Å; N254-A267 HydrophobicContact CB-CB 3.74Å; F255-A267 HydrophobicContact CB-CB 4.44Å; A263-A267 VanDerWaalsContact O-CB 3.3Å; A263-A267 WeakPolarHBondContact O-CB 3.37Å; A263-A267 PolarHBondContact O-N 3.36Å; Q264-A267 PolarHBondContact O-N 3.41Å; Y265-A267 VanDerWaalsContact C-N 3.34Å; Y265-A267 PolarHBondContact O-N 2.86Å; A267-K269 PolarHBondContact O-N 3.01Å; A267-A270 PolarHBondContact O-N 3.06Å; A267-L271 WeakPolarHBondContact O-CB 3.32Å; A267-L271 WeakPolarHBondContact O-CG 3.49Å; A267-L271 PolarHBondContact O-N 2.77Å
268A95Very high90.8Very high8 Ų851.8 Ų51.87%0.06626%0.261CS..Hα-helixtrans-60.8-44.3175.700000111.6F255 Q264 Y265 A270 L271 K272 W285 L332F255-A268 HydrophobicContact CD2-CB 3.99Å; F255-A268 HydrophobicContact CE2-CB 4.06Å; Q264-A268 WeakPolarHBondContact O-CB 3.46Å; Q264-A268 PolarHBondContact O-N 3.04Å; Y265-A268 PolarHBondContact O-N 3.36Å; A268-A270 VanDerWaalsContact C-N 3.32Å; A268-A270 PolarHBondContact O-N 3.22Å; A268-L271 PolarHBondContact O-N 2.97Å; A268-K272 WeakPolarHBondContact O-CG 3.39Å; A268-K272 PolarHBondContact O-N 3.48Å; A268-W285 HydrophobicContact CB-CH2 3.95Å; A268-W285 HydrophobicContact CB-CZ2 3.89Å; A268-L332 HydrophobicContact CB-CD1 3.74Å
269K94Very high91.7Very high53 Ų5350.3 Ų50.323%0.2325%0.253CS..Hα-helixtrans-61.7-41.2176.8-161.2166.7-174.2153.90110.9M240 Y265 L266 A267 K272 K273 L332 G333M240-K269 HydrophobicContact CE-CB 3.93Å; M240-K269 HydrophobicContact CE-CD 4.45Å; M240-K269 HydrophobicContact CE-CG 3.74Å; M240-K269 HydrophobicContact SD-CB 4.02Å; M240-K269 HydrophobicContact SD-CD 4.11Å; M240-K269 HydrophobicContact SD-CG 3.97Å; Y265-K269 HydrophobicContact CE1-CD 4.11Å; Y265-K269 WeakPolarHBondContact O-CB 3.47Å; Y265-K269 PolarHBondContact O-N 2.91Å; Y265-K269 PolarHBondContact OH-NZ 2.87Å; L266-K269 PolarHBondContact O-N 3.15Å; A267-K269 PolarHBondContact O-N 3.01Å; K269-K272 PolarHBondContact O-N 3.17Å; K269-K273 WeakPolarHBondContact O-CG 3.43Å; K269-K273 PolarHBondContact O-N 3.5Å; K269-K273 VanDerWaalsContact O-N 3.09Å; K269-L332 HydrophobicContact CB-CD1 4.31Å; K269-L332 VanDerWaalsContact CE-O 3.32Å; K269-L332 WeakPolarHBondContact CE-O 3.41Å; K269-L332 PolarHBondContact NZ-O 3.48Å; K269-G333 PolarHBondContact NZ-OXT 2.74Å
270A95.3Very high92.2Very high0 Ų047.7 Ų47.70%025%0.245CC..Hα-helixtrans-68-42.9178.700000112M240 M244 L251 L266 A267 A268 K272 K273 Q274M240-A270 HydrophobicContact CE-CB 4.02Å; M244-A270 HydrophobicContact SD-CB 4.03Å; L251-A270 HydrophobicContact CD1-CB 3.93Å; L251-A270 HydrophobicContact CD2-CB 3.98Å; L266-A270 WeakPolarHBondContact O-CB 3.29Å; L266-A270 PolarHBondContact O-N 2.87Å; A267-A270 PolarHBondContact O-N 3.06Å; A268-A270 VanDerWaalsContact C-N 3.32Å; A268-A270 PolarHBondContact O-N 3.22Å; A270-K272 PolarHBondContact O-N 3.09Å; A270-K273 PolarHBondContact O-N 3.37Å; A270-Q274 WeakPolarHBondContact O-CG 3.45Å; A270-Q274 PolarHBondContact O-N 3.4Å
271L96.7Very high92.8Very high0 Ų048.9 Ų48.90%023%0.231CC..Hα-helixtrans-59.6-45.2173.8-74.8169.7000111.5L251 F252 A267 A268 K273 Q274 S275 W276 W285L251-L271 HydrophobicContact CB-CD1 4.12Å; L251-L271 HydrophobicContact CB-CD2 3.88Å; L251-L271 HydrophobicContact CB-CG 3.83Å; L251-L271 HydrophobicContact CD1-CD2 3.97Å; L251-L271 HydrophobicContact CD1-CG 4.1Å; F252-L271 HydrophobicContact CD1-CD1 3.84Å; F252-L271 HydrophobicContact CD1-CD2 4.19Å; F252-L271 HydrophobicContact CE1-CD1 3.85Å; F252-L271 HydrophobicContact CE1-CD2 3.63Å; F252-L271 HydrophobicContact CE1-CG 4.41Å; F252-L271 HydrophobicContact CZ-CD2 3.99Å; A267-L271 WeakPolarHBondContact O-CB 3.32Å; A267-L271 WeakPolarHBondContact O-CG 3.49Å; A267-L271 PolarHBondContact O-N 2.77Å; A268-L271 PolarHBondContact O-N 2.97Å; L271-K273 VanDerWaalsContact C-N 3.33Å; L271-K273 PolarHBondContact O-N 2.92Å; L271-Q274 CarbonylContact O-C 3.56Å; L271-Q274 WeakPolarHBondContact O-CA 3.33Å; L271-Q274 PolarHBondContact O-N 3.22Å; L271-S275 PolarHBondContact O-N 2.76Å; L271-W276 HydrophobicContact CB-CB 4.03Å; L271-W276 HydrophobicContact CB-CG 4.41Å; L271-W276 HydrophobicContact CD2-CB 4.45Å; L271-W276 HydrophobicContact CD2-CD2 4.44Å; L271-W276 HydrophobicContact CD2-CG 3.97Å; L271-W276 WeakPolarHBondContact O-CB 3.46Å; L271-W276 PolarHBondContact O-N 3.48Å; L271-W285 HydrophobicContact CB-CD2 4.36Å; L271-W285 HydrophobicContact CB-CE3 4.03Å; L271-W285 HydrophobicContact CB-CH2 3.96Å; L271-W285 HydrophobicContact CB-CZ2 4.31Å; L271-W285 HydrophobicContact CB-CZ3 3.81Å; L271-W285 HydrophobicContact CD1-CD2 3.84Å; L271-W285 HydrophobicContact CD1-CE3 4.37Å; L271-W285 HydrophobicContact CD1-CG 4.22Å; L271-W285 HydrophobicContact CD1-CH2 4.34Å; L271-W285 HydrophobicContact CD1-CZ2 3.84Å
272K95.2Very high93.2Very high45 Ų4551.2 Ų51.220%0.19624%0.235CC..Hα-helixtrans-58.8-42.2175.1-74.5-169.2-179-163.30112.4A268 K269 A270 Q274 S275 R277 W285 E328 R330 L332A268-K272 WeakPolarHBondContact O-CG 3.39Å; A268-K272 PolarHBondContact O-N 3.48Å; K269-K272 PolarHBondContact O-N 3.17Å; A270-K272 PolarHBondContact O-N 3.09Å; K272-Q274 VanDerWaalsContact C-N 3.26Å; K272-Q274 PolarHBondContact O-N 2.94Å; K272-S275 PolarHBondContact O-N 3.38Å; K272-S275 VanDerWaalsContact O-N 3.14Å; K272-R277 PolarHBondContact O-NH1 3.44Å; K272-W285 HydrophobicContact CG-CH2 4.24Å; K272-W285 HydrophobicContact CG-CZ3 4.07Å; K272-E328 VanDerWaalsContact CE-OE2 3.3Å; K272-E328 WeakPolarHBondContact CE-OE2 3.45Å; K272-E328 IonicContact NZ-OE2 2.58Å; K272-E328 PolarHBondContact NZ-OE2 3.3Å; K272-R330 PolarHBondContact NZ-O 3.16Å; K272-L332 HydrophobicContact CD-CD1 4.2Å
273K94.9Very high93.4Very high133 Ų13350 Ų5058%0.57823%0.234SC*.Hα-helixtrans-66.8-24.5174.6-74.4-161.1-178.9-169.50113.5M240 M244 K269 A270 L271 S275M240-K273 HydrophobicContact CE-CD 3.63Å; M240-K273 HydrophobicContact CE-CG 4.11Å; M244-K273 HydrophobicContact CE-CB 3.81Å; M244-K273 HydrophobicContact CE-CD 4.28Å; M244-K273 HydrophobicContact SD-CB 3.63Å; M244-K273 HydrophobicContact SD-CD 3.8Å; M244-K273 HydrophobicContact SD-CG 4.26Å; K269-K273 WeakPolarHBondContact O-CG 3.43Å; K269-K273 PolarHBondContact O-N 3.5Å; K269-K273 VanDerWaalsContact O-N 3.09Å; A270-K273 PolarHBondContact O-N 3.37Å; L271-K273 VanDerWaalsContact C-N 3.33Å; L271-K273 PolarHBondContact O-N 2.92Å; K273-S275 VanDerWaalsContact C-N 3.25Å; K273-S275 PolarHBondContact O-N 3.09Å
274Q94.4Very high93.8Very high45 Ų4550.3 Ų50.321%0.2123%0.232CC..THydrogen-bonded Turntrans-90.823.1172.5-66.6178.25.200112.3M244 T248 A270 L271 K272 W276 Q287M244-Q274 HydrophobicContact CE-CG 4.31Å; T248-Q274 VanDerWaalsContact CG2-OE1 3.31Å; A270-Q274 WeakPolarHBondContact O-CG 3.45Å; A270-Q274 PolarHBondContact O-N 3.4Å; L271-Q274 CarbonylContact O-C 3.56Å; L271-Q274 WeakPolarHBondContact O-CA 3.33Å; L271-Q274 PolarHBondContact O-N 3.22Å; K272-Q274 VanDerWaalsContact C-N 3.26Å; K272-Q274 PolarHBondContact O-N 2.94Å; Q274-W276 PolarHBondContact O-N 3.03Å; Q274-Q287 PolarHBondContact O-NE2 2.95Å
275S95Very high94.1Very high76 Ų7648.6 Ų48.653%0.53122%0.224SC..THydrogen-bonded Turntrans61.922.9177.7-55.70000115.4L271 K272 K273L271-S275 PolarHBondContact O-N 2.76Å; K272-S275 PolarHBondContact O-N 3.38Å; K272-S275 VanDerWaalsContact O-N 3.14Å; K273-S275 VanDerWaalsContact C-N 3.25Å; K273-S275 PolarHBondContact O-N 3.09Å
276W96.8Very high94.4Very high4 Ų445.1 Ų45.12%0.01521%0.211CC..  trans-84147.6167.2-6583000110.7T248 F252 L271 Q274 W285 F286 Q287 V305T248-W276 HydrophobicContact CG2-CZ2 4.4Å; F252-W276 HydrophobicContact CE1-CD2 4.43Å; F252-W276 HydrophobicContact CE1-CE3 4.32Å; F252-W276 HydrophobicContact CE1-CZ3 4.49Å; F252-W276 HydrophobicContact CE2-CH2 4.27Å; F252-W276 HydrophobicContact CE2-CZ2 4.32Å; F252-W276 AromaticContact CZ-CD2 3.98Å; F252-W276 HydrophobicContact CZ-CD2 3.98Å; F252-W276 AromaticContact CZ-CE2 3.9Å; F252-W276 AromaticContact CZ-CE3 3.91Å; F252-W276 HydrophobicContact CZ-CE3 3.91Å; F252-W276 AromaticContact CZ-CH2 3.7Å; F252-W276 HydrophobicContact CZ-CH2 3.7Å; F252-W276 AromaticContact CZ-CZ2 3.78Å; F252-W276 HydrophobicContact CZ-CZ2 3.78Å; F252-W276 AromaticContact CZ-CZ3 3.77Å; F252-W276 HydrophobicContact CZ-CZ3 3.77Å; L271-W276 HydrophobicContact CB-CB 4.03Å; L271-W276 HydrophobicContact CB-CG 4.41Å; L271-W276 HydrophobicContact CD2-CB 4.45Å; L271-W276 HydrophobicContact CD2-CD2 4.44Å; L271-W276 HydrophobicContact CD2-CG 3.97Å; L271-W276 WeakPolarHBondContact O-CB 3.46Å; L271-W276 PolarHBondContact O-N 3.48Å; Q274-W276 PolarHBondContact O-N 3.03Å; W276-W285 HydrophobicContact CB-CE3 3.66Å; W276-W285 HydrophobicContact CB-CZ3 4.23Å; W276-W285 HydrophobicContact CD2-CB 4.49Å; W276-W285 HydrophobicContact CE3-CB 3.72Å; W276-W285 HydrophobicContact CZ3-CB 4.33Å; W276-F286 CarbonylContact C-O 3.55Å; W276-F286 WeakPolarHBondContact CA-O 3.44Å; W276-Q287 HydrophobicContact CD2-CB 3.91Å; W276-Q287 HydrophobicContact CE3-CB 3.83Å; W276-Q287 HydrophobicContact CG-CB 4.48Å; W276-Q287 HydrophobicContact CH2-CB 4.29Å; W276-Q287 HydrophobicContact CZ2-CB 4.35Å; W276-Q287 HydrophobicContact CZ3-CB 4.04Å; W276-V305 HydrophobicContact CH2-CG1 4.23Å
277R95.8Very high94.6Very high111 Ų11147.5 Ų47.542%0.41922%0.222SC..EExtended strand (participates in β ladder)trans-128.6135.3176.4-65.5-59.3179.8-96.22.6109.7K272 W285 F286 L327K272-R277 PolarHBondContact O-NH1 3.44Å; R277-W285 CarbonylContact O-C 3.57Å; R277-W285 WeakPolarHBondContact O-CA 3.25Å; R277-F286 PolarHBondContact N-O 2.88Å; R277-F286 PolarHBondContact O-N 2.84Å; R277-L327 HydrophobicContact CB-CD1 3.72Å; R277-L327 HydrophobicContact CG-CD1 4.07Å
278F95.9Very high94.9Very high30 Ų3053.7 Ų53.713%0.13225%0.245CC..EExtended strand (participates in β ladder)trans-92.2127.9-178.1-171.8-106.9000110.4F255 K283 W285 E328F255-F278 HydrophobicContact CE1-CD2 4.04Å; F255-F278 AromaticContact CE1-CE2 3.43Å; F255-F278 HydrophobicContact CE1-CE2 3.43Å; F255-F278 VanDerWaalsContact CE1-CE2 3.43Å; F255-F278 AromaticContact CE1-CZ 3.92Å; F255-F278 HydrophobicContact CE1-CZ 3.92Å; F255-F278 AromaticContact CZ-CD2 3.91Å; F255-F278 HydrophobicContact CZ-CD2 3.91Å; F255-F278 HydrophobicContact CZ-CE1 4.43Å; F255-F278 AromaticContact CZ-CE2 3.58Å; F255-F278 HydrophobicContact CZ-CE2 3.58Å; F255-F278 HydrophobicContact CZ-CG 4.46Å; F255-F278 AromaticContact CZ-CZ 3.85Å; F255-F278 HydrophobicContact CZ-CZ 3.85Å; F278-K283 WeakPolarHBondContact CE2-O 3.33Å; F278-K283 VanDerWaalsContact CZ-CA 3.45Å; F278-K283 HydrophobicContact CZ-CB 4Å; F278-W285 HydrophobicContact CB-CD2 4.08Å; F278-W285 HydrophobicContact CB-CE3 3.93Å; F278-W285 HydrophobicContact CB-CH2 4.11Å; F278-W285 HydrophobicContact CB-CZ2 4.21Å; F278-W285 HydrophobicContact CB-CZ3 3.96Å; F278-W285 AromaticContact CD2-CD1 3.77Å; F278-W285 AromaticContact CD2-CD2 3.86Å; F278-W285 HydrophobicContact CD2-CD2 3.86Å; F278-W285 AromaticContact CD2-CE2 3.65Å; F278-W285 AromaticContact CD2-CG 3.97Å; F278-W285 HydrophobicContact CD2-CG 3.97Å; F278-W285 HydrophobicContact CD2-CZ2 4.23Å; F278-W285 AromaticContact CD2-NE1 3.55Å; F278-W285 AromaticContact CE2-NE1 3.97Å; F278-W285 HydrophobicContact CG-CD2 4.46Å; F278-W285 HydrophobicContact CG-CZ2 4.49Å; F278-E328 HydrophobicContact CB-CB 4.01Å; F278-E328 HydrophobicContact CD1-CB 4.1Å; F278-E328 HydrophobicContact CD1-CG 4.23Å; F278-E328 PolarHBondContact O-N 2.82Å; F278-E328 VanDerWaalsContact O-N 3.11Å
279H94.8Very high94.9Very high3 Ų357.9 Ų57.91%0.01426%0.263CS..EExtended strand (participates in β ladder)trans-96.7111.8178.2-166.9-57.4000109.5Q281 Y282 K283 M284 F286 F320 F322 Y326H279-Q281 PolarHBondContact ND1-N 3.38Å; H279-Q281 PolarHBondContact O-N 2.86Å; H279-Y282 AromaticContact CD2-CD2 3.75Å; H279-Y282 AromaticContact CE1-CD2 3.4Å; H279-Y282 VanDerWaalsContact CE1-CD2 3.4Å; H279-Y282 WeakPolarHBondContact CE1-CD2 3.19Å; H279-Y282 AromaticContact CE1-CE2 3.64Å; H279-Y282 AromaticContact CG-CD2 3.69Å; H279-Y282 AromaticContact ND1-CD2 3.48Å; H279-Y282 WeakPolarHBondContact ND1-CD2 3.39Å; H279-Y282 PolarHBondContact ND1-N 3.41Å; H279-Y282 AromaticContact NE2-CD2 3.56Å; H279-Y282 AromaticContact NE2-CE2 3.6Å; H279-Y282 PolarHBondContact O-N 2.97Å; H279-K283 VanDerWaalsContact O-CA 3.31Å; H279-K283 WeakPolarHBondContact O-CA 3.28Å; H279-K283 PolarHBondContact O-N 3.21Å; H279-M284 PolarHBondContact N-O 2.76Å; H279-F286 HydrophobicContact CB-CD2 3.71Å; H279-F286 HydrophobicContact CB-CE2 3.59Å; H279-F320 AromaticContact CD2-CZ 3.91Å; H279-F320 AromaticContact NE2-CZ 3.96Å; H279-F322 HydrophobicContact CB-CE2 4.04Å; H279-F322 HydrophobicContact CB-CZ 3.98Å; H279-F322 AromaticContact CD2-CD2 3.96Å; H279-F322 AromaticContact CD2-CE2 3.72Å; H279-F322 AromaticContact CD2-CZ 3.76Å; H279-Y326 CarbonylContact C-O 3.56Å; H279-Y326 WeakPolarHBondContact CA-O 3.41Å; H279-Y326 WeakPolarHBondContact CE1-CB 3.31Å; H279-Y326 AromaticContact CE1-CD2 3.5Å; H279-Y326 VanDerWaalsContact CE1-CD2 3.5Å; H279-Y326 WeakPolarHBondContact CE1-CD2 3.41Å; H279-Y326 AromaticContact CE1-CG 3.53Å; H279-Y326 WeakPolarHBondContact ND1-CB 3.37Å; H279-Y326 AromaticContact NE2-CD2 3.94Å
280T91.2Very high94.9Very high61 Ų6160.2 Ų60.237%0.37428%0.275SS..THydrogen-bonded Turntrans-66.2-34-170.5580000113.5Y326 E328T280-Y326 PolarHBondContact N-O 3.14Å; T280-Y326 WeakPolarHBondContact OG1-CA 3.46Å; T280-Y326 PolarHBondContact OG1-O 3.45Å; T280-Y326 VanDerWaalsContact OG1-O 3.12Å; T280-E328 HydrophobicContact CG2-CB 3.99Å; T280-E328 HydrophobicContact CG2-CG 4.28Å
281Q92.3Very high94.8Very high98 Ų9868 Ų6846%0.45831%0.311SS..THydrogen-bonded Turntrans-68-51.8175.5-175-174.6-19.400112.7H279 K283 Y326H279-Q281 PolarHBondContact ND1-N 3.38Å; H279-Q281 PolarHBondContact O-N 2.86Å; Q281-K283 VanDerWaalsContact C-N 3.32Å; Q281-Y326 HydrophobicContact CB-CD1 3.76Å; Q281-Y326 HydrophobicContact CB-CD2 4.41Å; Q281-Y326 HydrophobicContact CB-CE1 4Å; Q281-Y326 HydrophobicContact CB-CG 3.97Å; Q281-Y326 HydrophobicContact CG-CE1 4.47Å; Q281-Y326 PolarHBondContact OE1-OH 3.03Å
282Y90.4Very high94.8Very high99 Ų9968.6 Ų68.639%0.38832%0.315SS..THydrogen-bonded Turntrans-80.2-14.9-178.4-63.5-54.1000113.4H279 M284 F286 F320H279-Y282 AromaticContact CD2-CD2 3.75Å; H279-Y282 AromaticContact CE1-CD2 3.4Å; H279-Y282 VanDerWaalsContact CE1-CD2 3.4Å; H279-Y282 WeakPolarHBondContact CE1-CD2 3.19Å; H279-Y282 AromaticContact CE1-CE2 3.64Å; H279-Y282 AromaticContact CG-CD2 3.69Å; H279-Y282 AromaticContact ND1-CD2 3.48Å; H279-Y282 WeakPolarHBondContact ND1-CD2 3.39Å; H279-Y282 PolarHBondContact ND1-N 3.41Å; H279-Y282 AromaticContact NE2-CD2 3.56Å; H279-Y282 AromaticContact NE2-CE2 3.6Å; H279-Y282 PolarHBondContact O-N 2.97Å; Y282-M284 PolarHBondContact O-N 3.04Å; Y282-F286 HydrophobicContact CD2-CE2 4.36Å; Y282-F286 HydrophobicContact CD2-CZ 4.15Å; Y282-F320 HydrophobicContact CD2-CE2 4.41Å; Y282-F320 HydrophobicContact CD2-CZ 4.13Å; Y282-F320 AromaticContact CE2-CE2 3.67Å; Y282-F320 HydrophobicContact CE2-CE2 3.67Å; Y282-F320 AromaticContact CE2-CZ 3.71Å; Y282-F320 HydrophobicContact CE2-CZ 3.71Å
283K90.7Very high94.8Very high135 Ų13571.5 Ų71.559%0.58734%0.336SS*.THydrogen-bonded Turntrans55.137.8-173.8-57.1-179.5179-1750112.4Y256 F278 H279 Q281Y256-K283 WeakPolarHBondContact CE1-O 3.19Å; Y256-K283 PolarHBondContact OH-O 2.84Å; F278-K283 WeakPolarHBondContact CE2-O 3.33Å; F278-K283 VanDerWaalsContact CZ-CA 3.45Å; F278-K283 HydrophobicContact CZ-CB 4Å; H279-K283 VanDerWaalsContact O-CA 3.31Å; H279-K283 WeakPolarHBondContact O-CA 3.28Å; H279-K283 PolarHBondContact O-N 3.21Å; Q281-K283 VanDerWaalsContact C-N 3.32Å
284M94.3Very high94.9Very high25 Ų2567.6 Ų67.612%0.12332%0.324CS..EExtended strand (participates in β ladder)trans-125.9152.4-176.3-73.2177-176.300111.1Y256 H279 Y282 F286 Y306 F307 F309Y256-M284 WeakPolarHBondContact OH-CA 3.45Å; H279-M284 PolarHBondContact N-O 2.76Å; Y282-M284 PolarHBondContact O-N 3.04Å; M284-F286 HydrophobicContact CB-CD2 4.4Å; M284-F286 HydrophobicContact CB-CE2 3.76Å; M284-F286 HydrophobicContact CB-CZ 4.46Å; M284-Y306 HydrophobicContact SD-CD2 3.74Å; M284-Y306 HydrophobicContact SD-CE2 3.88Å; M284-F307 WeakPolarHBondContact CG-O 3.25Å; M284-F309 HydrophobicContact CE-CD1 3.75Å; M284-F309 HydrophobicContact CE-CE1 3.57Å; M284-F309 HydrophobicContact CE-CZ 4.41Å; M284-F309 HydrophobicContact CG-CD1 3.79Å; M284-F309 HydrophobicContact CG-CE1 3.91Å
285W97Very high95Very high2 Ų269.9 Ų69.91%0.00834%0.337CS..EExtended strand (participates in β ladder)trans-91.4134.4172.8-69.691.4000110.2F252 F255 A268 L271 K272 W276 R277 F278 Y306 F307F252-W285 HydrophobicContact CD1-CB 4.42Å; F252-W285 AromaticContact CD1-CD1 3.88Å; F252-W285 HydrophobicContact CD1-CG 4.25Å; F252-W285 HydrophobicContact CE1-CB 3.6Å; F252-W285 AromaticContact CE1-CD1 3.88Å; F252-W285 AromaticContact CE1-CG 3.78Å; F252-W285 HydrophobicContact CE1-CG 3.78Å; F252-W285 HydrophobicContact CZ-CB 4.37Å; F255-W285 AromaticContact CD1-NE1 3.22Å; F255-W285 AromaticContact CD2-CZ2 3.72Å; F255-W285 HydrophobicContact CD2-CZ2 3.72Å; F255-W285 AromaticContact CD2-NE1 3.81Å; F255-W285 AromaticContact CE1-NE1 3.31Å; F255-W285 VanDerWaalsContact CE1-NE1 3.31Å; F255-W285 AromaticContact CE2-CZ2 3.54Å; F255-W285 HydrophobicContact CE2-CZ2 3.54Å; F255-W285 AromaticContact CE2-NE1 3.88Å; F255-W285 HydrophobicContact CG-CZ2 4.27Å; F255-W285 AromaticContact CG-NE1 3.48Å; F255-W285 AromaticContact CZ-CZ2 3.96Å; F255-W285 HydrophobicContact CZ-CZ2 3.96Å; F255-W285 AromaticContact CZ-NE1 3.63Å; A268-W285 HydrophobicContact CB-CH2 3.95Å; A268-W285 HydrophobicContact CB-CZ2 3.89Å; L271-W285 HydrophobicContact CB-CD2 4.36Å; L271-W285 HydrophobicContact CB-CE3 4.03Å; L271-W285 HydrophobicContact CB-CH2 3.96Å; L271-W285 HydrophobicContact CB-CZ2 4.31Å; L271-W285 HydrophobicContact CB-CZ3 3.81Å; L271-W285 HydrophobicContact CD1-CD2 3.84Å; L271-W285 HydrophobicContact CD1-CE3 4.37Å; L271-W285 HydrophobicContact CD1-CG 4.22Å; L271-W285 HydrophobicContact CD1-CH2 4.34Å; L271-W285 HydrophobicContact CD1-CZ2 3.84Å; K272-W285 HydrophobicContact CG-CH2 4.24Å; K272-W285 HydrophobicContact CG-CZ3 4.07Å; W276-W285 HydrophobicContact CB-CE3 3.66Å; W276-W285 HydrophobicContact CB-CZ3 4.23Å; W276-W285 HydrophobicContact CD2-CB 4.49Å; W276-W285 HydrophobicContact CE3-CB 3.72Å; W276-W285 HydrophobicContact CZ3-CB 4.33Å; R277-W285 CarbonylContact O-C 3.57Å; R277-W285 WeakPolarHBondContact O-CA 3.25Å; F278-W285 HydrophobicContact CB-CD2 4.08Å; F278-W285 HydrophobicContact CB-CE3 3.93Å; F278-W285 HydrophobicContact CB-CH2 4.11Å; F278-W285 HydrophobicContact CB-CZ2 4.21Å; F278-W285 HydrophobicContact CB-CZ3 3.96Å; F278-W285 AromaticContact CD2-CD1 3.77Å; F278-W285 AromaticContact CD2-CD2 3.86Å; F278-W285 HydrophobicContact CD2-CD2 3.86Å; F278-W285 AromaticContact CD2-CE2 3.65Å; F278-W285 AromaticContact CD2-CG 3.97Å; F278-W285 HydrophobicContact CD2-CG 3.97Å; F278-W285 HydrophobicContact CD2-CZ2 4.23Å; F278-W285 AromaticContact CD2-NE1 3.55Å; F278-W285 AromaticContact CE2-NE1 3.97Å; F278-W285 HydrophobicContact CG-CD2 4.46Å; F278-W285 HydrophobicContact CG-CZ2 4.49Å; W285-Y306 WeakPolarHBondContact O-CA 3.34Å; W285-Y306 WeakPolarHBondContact O-CB 3.34Å; W285-F307 PolarHBondContact O-N 3.12Å; W285-F307 VanDerWaalsContact O-N 3.09Å
286F97.7Very high95.1Very high8 Ų868.2 Ų68.24%0.03532%0.323CS..EExtended strand (participates in β ladder)trans-122.1147.6179.1-71.1-102.7000110.5W276 R277 H279 Y282 M284 Y304 V305 Y306 F320 F322W276-F286 CarbonylContact C-O 3.55Å; W276-F286 WeakPolarHBondContact CA-O 3.44Å; R277-F286 PolarHBondContact N-O 2.88Å; R277-F286 PolarHBondContact O-N 2.84Å; H279-F286 HydrophobicContact CB-CD2 3.71Å; H279-F286 HydrophobicContact CB-CE2 3.59Å; Y282-F286 HydrophobicContact CD2-CE2 4.36Å; Y282-F286 HydrophobicContact CD2-CZ 4.15Å; M284-F286 HydrophobicContact CB-CD2 4.4Å; M284-F286 HydrophobicContact CB-CE2 3.76Å; M284-F286 HydrophobicContact CB-CZ 4.46Å; F286-Y304 HydrophobicContact CB-CD1 4.17Å; F286-Y304 HydrophobicContact CD1-CD1 4.43Å; F286-Y304 HydrophobicContact CD1-CG 4.31Å; F286-V305 CarbonylContact C-O 3.59Å; F286-V305 WeakPolarHBondContact CA-O 3.23Å; F286-Y306 HydrophobicContact CD1-CG 4.47Å; F286-Y306 HydrophobicContact CE1-CD1 4.32Å; F286-Y306 HydrophobicContact CE1-CG 4.01Å; F286-Y306 HydrophobicContact CZ-CG 4.3Å; F286-F320 HydrophobicContact CD1-CD1 4.09Å; F286-F320 AromaticContact CD1-CE1 3.76Å; F286-F320 HydrophobicContact CD1-CE1 3.76Å; F286-F320 HydrophobicContact CD1-CZ 4.41Å; F286-F320 AromaticContact CE1-CD1 3.92Å; F286-F320 HydrophobicContact CE1-CD1 3.92Å; F286-F320 AromaticContact CE1-CE1 3.49Å; F286-F320 HydrophobicContact CE1-CE1 3.49Å; F286-F320 VanDerWaalsContact CE1-CE1 3.49Å; F286-F320 HydrophobicContact CE1-CE2 4.32Å; F286-F320 HydrophobicContact CE1-CG 4.48Å; F286-F320 AromaticContact CE1-CZ 3.72Å; F286-F320 HydrophobicContact CE1-CZ 3.72Å; F286-F320 HydrophobicContact CZ-CE1 4.03Å; F286-F320 AromaticContact CZ-CZ 3.85Å; F286-F320 HydrophobicContact CZ-CZ 3.85Å; F286-F322 HydrophobicContact CB-CD2 4.27Å; F286-F322 HydrophobicContact CB-CE2 3.98Å; F286-F322 HydrophobicContact CD2-CE2 4.13Å; F286-F322 HydrophobicContact CG-CD2 4.31Å; F286-F322 HydrophobicContact CG-CE2 4.11Å
287Q97.3Very high95Very high62 Ų6275.2 Ų75.229%0.2936%0.361SS..EExtended strand (participates in β ladder)trans-136.4135.4172.2-175-178.851.900107.9Q274 W276 H289 Y304 V305Q274-Q287 PolarHBondContact O-NE2 2.95Å; W276-Q287 HydrophobicContact CD2-CB 3.91Å; W276-Q287 HydrophobicContact CE3-CB 3.83Å; W276-Q287 HydrophobicContact CG-CB 4.48Å; W276-Q287 HydrophobicContact CH2-CB 4.29Å; W276-Q287 HydrophobicContact CZ2-CB 4.35Å; W276-Q287 HydrophobicContact CZ3-CB 4.04Å; Q287-H289 PolarHBondContact O-N 2.67Å; Q287-Y304 WeakPolarHBondContact O-CA 3.33Å; Q287-V305 PolarHBondContact N-O 3.11Å; Q287-V305 PolarHBondContact O-N 2.95Å
288R97.5Very high95Very high129 Ų12975.8 Ų75.849%0.48737%0.368SS..EExtended strand (participates in β ladder)trans-60125.6174-68.2178.7-178.5171.13.5108.8P292 E300 Y304R288-P292 HydrophobicContact CG-CG 4.49Å; R288-E300 IonicContact CZ-OE2 3.4Å; R288-E300 IonicContact NE-OE1 3.3Å; R288-E300 IonicContact NE-OE2 2.83Å; R288-E300 PolarHBondContact NE-OE2 3.25Å; R288-E300 IonicContact NH2-OE1 2.88Å; R288-E300 IonicContact NH2-OE2 3.68Å; R288-E300 PolarHBondContact NH2-OE2 3.14Å; R288-Y304 HydrophobicContact CB-CE1 4.42Å; R288-Y304 HydrophobicContact CG-CD1 4.3Å; R288-Y304 HydrophobicContact CG-CE1 3.59Å
289H96.2Very high95Very high97 Ų9778.2 Ų78.245%0.44938%0.377SS..SBendtrans-81.8-34.1174.1-174.359.8000111.1Q287 T303 V305 K316Q287-H289 PolarHBondContact O-N 2.67Å; H289-T303 HydrophobicContact CB-CG2 3.94Å; H289-T303 VanDerWaalsContact CB-O 3.3Å; H289-T303 WeakPolarHBondContact CB-O 3.41Å; H289-T303 PolarHBondContact N-O 3.43Å; H289-V305 HydrophobicContact CB-CG2 4.18Å; H289-K316 WeakPolarHBondContact CD2-CE 3.4Å; H289-K316 PolarHBondContact CD2-NZ 2.79Å; H289-K316 VanDerWaalsContact CD2-NZ 3.28Å; H289-K316 PolarHBondContact NE2-NZ 2.87Å
290E93.9Very high95.2Very high101 Ų10178.6 Ų78.647%0.47238%0.379SS..SBendtrans-145.8175.6176.166.8-160.5164.300109T303E290-T303 WeakPolarHBondContact OE1-CB 3.2Å; E290-T303 PolarHBondContact OE1-OG1 2.8Å
291E94Very high95.5Very high165 Ų16578.6 Ų78.677%0.77138%0.375SS*.  trans-61.9133.6175.5-169.7169.5-175.800110.6T293E291-T293 PolarHBondContact O-N 2.8Å
292P95.6Very high95.7Very high11 Ų1174 Ų747%0.07135%0.353CS..  trans-59.3137.5-179.8-20.231.2000111.4R288 T294 I295 E300 Q301R288-P292 HydrophobicContact CG-CG 4.49Å; P292-T294 PolarHBondContact O-N 3.34Å; P292-I295 HydrophobicContact CB-CD1 4.31Å; P292-I295 HydrophobicContact CB-CG1 3.88Å; P292-I295 HydrophobicContact CG-CD1 4.21Å; P292-I295 HydrophobicContact CG-CG1 4.21Å; P292-E300 HydrophobicContact CB-CB 4.19Å; P292-E300 HydrophobicContact CG-CB 4.36Å; P292-E300 WeakPolarHBondContact CG-OE2 3.3Å; P292-Q301 CarbonylContact C-O 3.32Å; P292-Q301 VanDerWaalsContact CA-O 3.31Å; P292-Q301 WeakPolarHBondContact CA-O 3.03Å; P292-Q301 VanDerWaalsContact CB-O 3.24Å; P292-Q301 WeakPolarHBondContact CB-O 3.39Å
293T96.3Very high96Very high106 Ų10669.8 Ų69.865%0.6534%0.338SS*.SBendtrans-66.4-27.8176.755.30000112.5E291 Q301E291-T293 PolarHBondContact O-N 2.8Å; T293-Q301 PolarHBondContact N-O 3.36Å; T293-Q301 PolarHBondContact OG1-O 2.88Å
294T96.2Very high96.4Very high51 Ų5163.5 Ų63.531%0.31331%0.311SS..EExtended strand (participates in β ladder)trans-138.6135.3179.3-48.80000109.2P292 T296 Y299 E300 Q301P292-T294 PolarHBondContact O-N 3.34Å; T294-T296 HydrophobicContact CG2-CG2 4.12Å; T294-Y299 HydrophobicContact CG2-CE2 4.17Å; T294-E300 CarbonylContact O-C 3.52Å; T294-E300 VanDerWaalsContact O-CA 3.28Å; T294-E300 WeakPolarHBondContact O-CA 3.34Å; T294-Q301 PolarHBondContact N-O 3.35Å; T294-Q301 VanDerWaalsContact N-O 3.14Å; T294-Q301 PolarHBondContact O-N 3.32Å
295I96.2Very high96.5Very high94 Ų9463.4 Ų63.448%0.48231%0.311SS..EExtended strand (participates in β ladder)trans-133.4122.1172.9-58.4176.3000106.9P292 E300P292-I295 HydrophobicContact CB-CD1 4.31Å; P292-I295 HydrophobicContact CB-CG1 3.88Å; P292-I295 HydrophobicContact CG-CD1 4.21Å; P292-I295 HydrophobicContact CG-CG1 4.21Å; I295-E300 HydrophobicContact CG1-CB 4.43Å
296T97.2Very high96.5Very high40 Ų4065.3 Ų65.325%0.24532%0.319CS..  trans-121.6-175.5171.881.10000109.6T294 E298 Y299 Y324T294-T296 HydrophobicContact CG2-CG2 4.12Å; T296-E298 VanDerWaalsContact C-N 3.26Å; T296-E298 WeakPolarHBondContact CB-OE2 3.47Å; T296-E298 PolarHBondContact OG1-N 3.43Å; T296-E298 VanDerWaalsContact OG1-N 3.16Å; T296-E298 PolarHBondContact OG1-OE2 3.45Å; T296-Y299 HydrophobicContact CG2-CD1 4.39Å; T296-Y299 HydrophobicContact CG2-CE1 3.83Å; T296-Y299 HydrophobicContact CG2-CE2 4.36Å; T296-Y299 PolarHBondContact N-O 2.83Å; T296-Y299 WeakPolarHBondContact OG1-CD1 3.13Å; T296-Y299 PolarHBondContact OG1-N 3.42Å; T296-Y299 PolarHBondContact OG1-O 2.88Å; T296-Y324 VanDerWaalsContact O-CE2 3.32Å; T296-Y324 WeakPolarHBondContact O-CE2 3.31Å
297D94.9Very high96.4Very high152 Ų15265.1 Ų65.181%0.81332%0.318SS*.SBendtrans-75.4-16.6175.1-66.5-27.2000112.5Y324D297-Y324 WeakPolarHBondContact O-CD2 3.47Å
298E95.3Very high95.9Very high123 Ų12362.6 Ų62.658%0.57531%0.306SS*.SBendtrans-107-29.8-175.1-5378.6-171.600113.8T296 Y324T296-E298 VanDerWaalsContact C-N 3.26Å; T296-E298 WeakPolarHBondContact CB-OE2 3.47Å; T296-E298 PolarHBondContact OG1-N 3.43Å; T296-E298 VanDerWaalsContact OG1-N 3.16Å; T296-E298 PolarHBondContact OG1-OE2 3.45Å; E298-Y324 VanDerWaalsContact C-CD2 3.49Å; E298-Y324 PolarHBondContact O-N 2.6Å
299Y96.6Very high95Very high80 Ų8059 Ų5931%0.31430%0.295SS..EExtended strand (participates in β ladder)trans-154.2165.3-177.470.8-89.1000113T294 T296 Q301 T321 F322T294-Y299 HydrophobicContact CG2-CE2 4.17Å; T296-Y299 HydrophobicContact CG2-CD1 4.39Å; T296-Y299 HydrophobicContact CG2-CE1 3.83Å; T296-Y299 HydrophobicContact CG2-CE2 4.36Å; T296-Y299 PolarHBondContact N-O 2.83Å; T296-Y299 WeakPolarHBondContact OG1-CD1 3.13Å; T296-Y299 PolarHBondContact OG1-N 3.42Å; T296-Y299 PolarHBondContact OG1-O 2.88Å; Y299-Q301 HydrophobicContact CD2-CB 4.5Å; Y299-Q301 HydrophobicContact CE2-CB 4.36Å; Y299-T321 HydrophobicContact CD2-CG2 3.57Å; Y299-T321 HydrophobicContact CE2-CG2 4.31Å; Y299-T321 HydrophobicContact CG-CG2 3.87Å; Y299-F322 VanDerWaalsContact CA-O 3.31Å; Y299-F322 WeakPolarHBondContact CA-O 3.35Å; Y299-F322 WeakPolarHBondContact CB-O 3.28Å
300E97.6Very high94Very high12 Ų1259.1 Ų59.16%0.05630%0.295CS..EExtended strand (participates in β ladder)trans-123.7146.6163.655.8177.5-178.200110.5R288 P292 T294 I295 Y304 T321 F322 Y324R288-E300 IonicContact CZ-OE2 3.4Å; R288-E300 IonicContact NE-OE1 3.3Å; R288-E300 IonicContact NE-OE2 2.83Å; R288-E300 PolarHBondContact NE-OE2 3.25Å; R288-E300 IonicContact NH2-OE1 2.88Å; R288-E300 IonicContact NH2-OE2 3.68Å; R288-E300 PolarHBondContact NH2-OE2 3.14Å; P292-E300 HydrophobicContact CB-CB 4.19Å; P292-E300 HydrophobicContact CG-CB 4.36Å; P292-E300 WeakPolarHBondContact CG-OE2 3.3Å; T294-E300 CarbonylContact O-C 3.52Å; T294-E300 VanDerWaalsContact O-CA 3.28Å; T294-E300 WeakPolarHBondContact O-CA 3.34Å; I295-E300 HydrophobicContact CG1-CB 4.43Å; E300-Y304 WeakPolarHBondContact CG-OH 3.38Å; E300-Y304 PolarHBondContact OE1-OH 3Å; E300-Y304 PolarHBondContact OE2-OH 3.21Å; E300-T321 CarbonylContact O-C 3.51Å; E300-T321 WeakPolarHBondContact O-CA 3.31Å; E300-F322 HydrophobicContact CG-CB 3.82Å; E300-F322 PolarHBondContact N-O 3.3Å; E300-F322 PolarHBondContact O-N 2.97Å; E300-Y324 HydrophobicContact CB-CE1 4.4Å; E300-Y324 HydrophobicContact CG-CE1 3.88Å
301Q97.7Very high93.3Very high60 Ų6060.4 Ų60.428%0.2830%0.299SS..EExtended strand (participates in β ladder)trans-124.5133.3176-169.4178.36.500109.9P292 T293 T294 Y299 G319 F320P292-Q301 CarbonylContact C-O 3.32Å; P292-Q301 VanDerWaalsContact CA-O 3.31Å; P292-Q301 WeakPolarHBondContact CA-O 3.03Å; P292-Q301 VanDerWaalsContact CB-O 3.24Å; P292-Q301 WeakPolarHBondContact CB-O 3.39Å; T293-Q301 PolarHBondContact N-O 3.36Å; T293-Q301 PolarHBondContact OG1-O 2.88Å; T294-Q301 PolarHBondContact N-O 3.35Å; T294-Q301 VanDerWaalsContact N-O 3.14Å; T294-Q301 PolarHBondContact O-N 3.32Å; Y299-Q301 HydrophobicContact CD2-CB 4.5Å; Y299-Q301 HydrophobicContact CE2-CB 4.36Å; Q301-G319 PolarHBondContact NE2-O 3.14Å; Q301-F320 WeakPolarHBondContact CA-O 3.41Å
302G96.8Very high92.7Very high1 Ų153.9 Ų53.91%0.0127%0.268CS..EExtended strand (participates in β ladder)trans176.9-161.1179.200000112.4Y304 G319 F320G302-Y304 WeakPolarHBondContact O-CD2 3.3Å; G302-G319 PolarHBondContact O-N 2.88Å; G302-F320 PolarHBondContact N-O 3.41Å; G302-F320 PolarHBondContact O-N 2.82Å
303T97.8Very high92.3Very high11 Ų1155.8 Ų55.87%0.06728%0.279CS..EExtended strand (participates in β ladder)trans-98.9127.6179.2-560000110.9H289 E290 K316 K317 E318H289-T303 HydrophobicContact CB-CG2 3.94Å; H289-T303 VanDerWaalsContact CB-O 3.3Å; H289-T303 WeakPolarHBondContact CB-O 3.41Å; H289-T303 PolarHBondContact N-O 3.43Å; E290-T303 WeakPolarHBondContact OE1-CB 3.2Å; E290-T303 PolarHBondContact OE1-OG1 2.8Å; T303-K316 HydrophobicContact CG2-CD 4.2Å; T303-K316 HydrophobicContact CG2-CG 3.95Å; T303-K317 WeakPolarHBondContact CA-O 3.35Å; T303-E318 HydrophobicContact CG2-CG 3.88Å
304Y97.9Very high92.1Very high4 Ų454.9 Ų54.92%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-124.4147.2-177.1-67.5-99000111.6F286 Q287 R288 E300 G302 K316 K317 F320F286-Y304 HydrophobicContact CB-CD1 4.17Å; F286-Y304 HydrophobicContact CD1-CD1 4.43Å; F286-Y304 HydrophobicContact CD1-CG 4.31Å; Q287-Y304 WeakPolarHBondContact O-CA 3.33Å; R288-Y304 HydrophobicContact CB-CE1 4.42Å; R288-Y304 HydrophobicContact CG-CD1 4.3Å; R288-Y304 HydrophobicContact CG-CE1 3.59Å; E300-Y304 WeakPolarHBondContact CG-OH 3.38Å; E300-Y304 PolarHBondContact OE1-OH 3Å; E300-Y304 PolarHBondContact OE2-OH 3.21Å; G302-Y304 WeakPolarHBondContact O-CD2 3.3Å; Y304-K316 CarbonylContact O-C 3.35Å; Y304-K316 WeakPolarHBondContact O-CA 3.4Å; Y304-K317 PolarHBondContact N-O 3.05Å; Y304-K317 PolarHBondContact O-N 3.28Å; Y304-F320 HydrophobicContact CD2-CB 3.96Å; Y304-F320 AromaticContact CD2-CD1 3.7Å; Y304-F320 HydrophobicContact CD2-CD1 3.7Å; Y304-F320 HydrophobicContact CD2-CG 4.32Å; Y304-F320 HydrophobicContact CE2-CD1 4.11Å; Y304-F320 HydrophobicContact CG-CD1 4.1Å
305V97.6Very high92.1Very high22 Ų2257.5 Ų57.513%0.13327%0.272CS..EExtended strand (participates in β ladder)trans-94.6134.4158.2-177.30000107.6W276 F286 Q287 H289 Q314 R315W276-V305 HydrophobicContact CH2-CG1 4.23Å; F286-V305 CarbonylContact C-O 3.59Å; F286-V305 WeakPolarHBondContact CA-O 3.23Å; Q287-V305 PolarHBondContact N-O 3.11Å; Q287-V305 PolarHBondContact O-N 2.95Å; H289-V305 HydrophobicContact CB-CG2 4.18Å; V305-Q314 HydrophobicContact CG1-CB 4.22Å; V305-R315 CarbonylContact C-O 3.57Å; V305-R315 WeakPolarHBondContact CA-O 3.44Å
306Y97.3Very high92.1Very high42 Ų4258 Ų5817%0.16527%0.271CS..EExtended strand (participates in β ladder)trans-132.9157175.874.4-83.9000111.1M284 W285 F286 D308 Q314 R315 K317M284-Y306 HydrophobicContact SD-CD2 3.74Å; M284-Y306 HydrophobicContact SD-CE2 3.88Å; W285-Y306 WeakPolarHBondContact O-CA 3.34Å; W285-Y306 WeakPolarHBondContact O-CB 3.34Å; F286-Y306 HydrophobicContact CD1-CG 4.47Å; F286-Y306 HydrophobicContact CE1-CD1 4.32Å; F286-Y306 HydrophobicContact CE1-CG 4.01Å; F286-Y306 HydrophobicContact CZ-CG 4.3Å; Y306-D308 HydrophobicContact CE2-CB 3.89Å; Y306-Q314 WeakPolarHBondContact O-CA 3.44Å; Y306-R315 HydrophobicContact CD1-CB 3.95Å; Y306-R315 WeakPolarHBondContact CD1-O 3.09Å; Y306-R315 HydrophobicContact CE1-CB 3.34Å; Y306-R315 HydrophobicContact CE1-CG 4.38Å; Y306-R315 HydrophobicContact CE2-CB 4.03Å; Y306-R315 HydrophobicContact CE2-CG 4.33Å; Y306-R315 PolarHBondContact N-O 3.09Å; Y306-R315 PolarHBondContact O-N 2.93Å; Y306-K317 HydrophobicContact CD1-CB 4.12Å; Y306-K317 HydrophobicContact CE1-CB 3.96Å
307F94Very high92.1Very high4 Ų460.3 Ų60.32%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-96.9112.9174.7-171.3-101.1000111F252 Y256 M284 W285 F309 W312 Q314F252-F307 HydrophobicContact CB-CD1 3.85Å; F252-F307 HydrophobicContact CB-CE1 3.63Å; F252-F307 HydrophobicContact CB-CE2 4.38Å; F252-F307 HydrophobicContact CB-CG 4.29Å; F252-F307 HydrophobicContact CB-CZ 3.91Å; F252-F307 HydrophobicContact CD1-CB 4.16Å; F252-F307 HydrophobicContact CD1-CD1 4.12Å; F252-F307 HydrophobicContact CD1-CG 4.09Å; F252-F307 HydrophobicContact CD2-CB 3.96Å; F252-F307 AromaticContact CD2-CD1 3.87Å; F252-F307 HydrophobicContact CD2-CD1 3.87Å; F252-F307 AromaticContact CD2-CD2 3.25Å; F252-F307 HydrophobicContact CD2-CD2 3.25Å; F252-F307 HydrophobicContact CD2-CE1 4.14Å; F252-F307 AromaticContact CD2-CE2 3.58Å; F252-F307 HydrophobicContact CD2-CE2 3.58Å; F252-F307 AromaticContact CD2-CG 3.4Å; F252-F307 HydrophobicContact CD2-CG 3.4Å; F252-F307 AromaticContact CD2-CZ 3.99Å; F252-F307 HydrophobicContact CD2-CZ 3.99Å; F252-F307 HydrophobicContact CE1-CB 3.94Å; F252-F307 HydrophobicContact CE1-CG 4.3Å; F252-F307 HydrophobicContact CE2-CB 3.71Å; F252-F307 HydrophobicContact CE2-CD1 4.49Å; F252-F307 AromaticContact CE2-CD2 3.51Å; F252-F307 HydrophobicContact CE2-CD2 3.51Å; F252-F307 HydrophobicContact CE2-CE2 4.23Å; F252-F307 AromaticContact CE2-CG 3.65Å; F252-F307 HydrophobicContact CE2-CG 3.65Å; F252-F307 HydrophobicContact CG-CB 4.2Å; F252-F307 AromaticContact CG-CD1 3.68Å; F252-F307 HydrophobicContact CG-CD1 3.68Å; F252-F307 AromaticContact CG-CD2 3.97Å; F252-F307 HydrophobicContact CG-CD2 3.97Å; F252-F307 AromaticContact CG-CE1 3.95Å; F252-F307 HydrophobicContact CG-CE1 3.95Å; F252-F307 HydrophobicContact CG-CE2 4.23Å; F252-F307 AromaticContact CG-CG 3.66Å; F252-F307 HydrophobicContact CG-CG 3.66Å; F252-F307 HydrophobicContact CG-CZ 4.2Å; F252-F307 HydrophobicContact CZ-CB 3.71Å; F252-F307 HydrophobicContact CZ-CD2 4.37Å; F252-F307 HydrophobicContact CZ-CG 4.1Å; Y256-F307 HydrophobicContact CD2-CD1 4.43Å; Y256-F307 HydrophobicContact CD2-CE1 4.32Å; Y256-F307 AromaticContact CE2-CD1 3.82Å; Y256-F307 HydrophobicContact CE2-CD1 3.82Å; Y256-F307 HydrophobicContact CE2-CE1 4.15Å; M284-F307 WeakPolarHBondContact CG-O 3.25Å; W285-F307 PolarHBondContact O-N 3.12Å; W285-F307 VanDerWaalsContact O-N 3.09Å; F307-F309 HydrophobicContact CD1-CB 4.35Å; F307-F309 HydrophobicContact CE1-CB 4.26Å; F307-F309 PolarHBondContact O-N 2.92Å; F307-W312 HydrophobicContact CE1-CD2 4.14Å; F307-W312 AromaticContact CE1-CE3 3.63Å; F307-W312 HydrophobicContact CE1-CE3 3.63Å; F307-W312 AromaticContact CE1-CH2 3.85Å; F307-W312 HydrophobicContact CE1-CH2 3.85Å; F307-W312 HydrophobicContact CE1-CZ2 4.39Å; F307-W312 AromaticContact CE1-CZ3 3.47Å; F307-W312 HydrophobicContact CE1-CZ3 3.47Å; F307-W312 VanDerWaalsContact CE1-CZ3 3.47Å; F307-W312 AromaticContact CZ-CD2 3.56Å; F307-W312 HydrophobicContact CZ-CD2 3.56Å; F307-W312 AromaticContact CZ-CE2 3.72Å; F307-W312 AromaticContact CZ-CE3 3.55Å; F307-W312 HydrophobicContact CZ-CE3 3.55Å; F307-W312 HydrophobicContact CZ-CG 4.16Å; F307-W312 AromaticContact CZ-CH2 3.77Å; F307-W312 HydrophobicContact CZ-CH2 3.77Å; F307-W312 AromaticContact CZ-CZ2 3.84Å; F307-W312 HydrophobicContact CZ-CZ2 3.84Å; F307-W312 AromaticContact CZ-CZ3 3.66Å; F307-W312 HydrophobicContact CZ-CZ3 3.66Å; F307-Q314 HydrophobicContact CD2-CG 3.93Å
308D87.4Confident92.2Very high9 Ų959.8 Ų59.85%0.04827%0.27CS..EExtended strand (participates in β ladder)trans-82.497.9174.9-174.4-25.4000108.5Y306 E310 K311 W312 T313 R315Y306-D308 HydrophobicContact CE2-CB 3.89Å; D308-E310 PolarHBondContact O-N 3.43Å; D308-E310 WeakPolarHBondContact OD1-CB 3.4Å; D308-E310 PolarHBondContact OD1-N 3.28Å; D308-E310 VanDerWaalsContact OD1-N 3.09Å; D308-K311 HydrophobicContact CB-CB 4.44Å; D308-K311 PolarHBondContact O-N 2.95Å; D308-K311 PolarHBondContact OD1-N 2.89Å; D308-K311 WeakPolarHBondContact OD2-CD 3.5Å; D308-W312 VanDerWaalsContact O-CA 3.26Å; D308-W312 WeakPolarHBondContact O-CA 3.5Å; D308-W312 PolarHBondContact O-N 2.94Å; D308-T313 HydrophobicContact CB-CG2 4.37Å; D308-T313 WeakPolarHBondContact CB-O 3.13Å; D308-T313 PolarHBondContact N-O 2.81Å; D308-T313 PolarHBondContact O-N 3.33Å; D308-T313 VanDerWaalsContact O-N 3.13Å; D308-R315 HydrophobicContact CB-CG 3.96Å
309F78.6Confident92.2Very high55 Ų5556 Ų5624%0.24126%0.263CS..THydrogen-bonded Turntrans-69.7-19.6-178.269.3-97.2000113.1Y256 M284 F307Y256-F309 HydrophobicContact CD1-CB 4.24Å; Y256-F309 HydrophobicContact CD1-CG 4.35Å; Y256-F309 HydrophobicContact CD2-CB 4.12Å; Y256-F309 HydrophobicContact CE1-CB 4.01Å; Y256-F309 AromaticContact CE1-CD1 3.84Å; Y256-F309 HydrophobicContact CE1-CD1 3.84Å; Y256-F309 AromaticContact CE1-CG 3.96Å; Y256-F309 HydrophobicContact CE1-CG 3.96Å; Y256-F309 HydrophobicContact CE2-CB 3.91Å; Y256-F309 HydrophobicContact CG-CB 4.3Å; Y256-F309 AromaticContact CZ-CD1 3.95Å; M284-F309 HydrophobicContact CE-CD1 3.75Å; M284-F309 HydrophobicContact CE-CE1 3.57Å; M284-F309 HydrophobicContact CE-CZ 4.41Å; M284-F309 HydrophobicContact CG-CD1 3.79Å; M284-F309 HydrophobicContact CG-CE1 3.91Å; F307-F309 HydrophobicContact CD1-CB 4.35Å; F307-F309 HydrophobicContact CE1-CB 4.26Å; F307-F309 PolarHBondContact O-N 2.92Å
310E75.6Confident92.2Very high99 Ų9952.5 Ų52.546%0.46325%0.25SC..THydrogen-bonded Turntrans-76.7-38177.8-60.9-174.8164.300111.2L212 D308L212-E310 HydrophobicContact CD2-CG 4.04Å; L212-E310 VanDerWaalsContact CD2-OE1 3.28Å; L212-E310 WeakPolarHBondContact CD2-OE1 3.48Å; D308-E310 PolarHBondContact O-N 3.43Å; D308-E310 WeakPolarHBondContact OD1-CB 3.4Å; D308-E310 PolarHBondContact OD1-N 3.28Å; D308-E310 VanDerWaalsContact OD1-N 3.09Å
311K79.7Confident92.2Very high128 Ų12854.6 Ų54.656%0.55726%0.263SS*.THydrogen-bonded Turntrans-97.1-1.7177.6-64179.8-171.1159.10113.4D308 T313D308-K311 HydrophobicContact CB-CB 4.44Å; D308-K311 PolarHBondContact O-N 2.95Å; D308-K311 PolarHBondContact OD1-N 2.89Å; D308-K311 WeakPolarHBondContact OD2-CD 3.5Å; K311-T313 HydrophobicContact CB-CG2 3.79Å; K311-T313 PolarHBondContact O-N 3.17Å
312W80.8Confident92.2Very high28 Ų2851.9 Ų51.911%0.10625%0.251CS..THydrogen-bonded Turntrans47.752.7-175.4-160.8-101.8000113.3F209 E249 F252 F253 Y256 Y257 F307 D308F209-W312 HydrophobicContact CD1-CB 3.54Å; F209-W312 AromaticContact CD1-CD2 3.99Å; F209-W312 HydrophobicContact CD1-CD2 3.99Å; F209-W312 HydrophobicContact CD1-CE3 4.24Å; F209-W312 AromaticContact CD1-CG 3.68Å; F209-W312 HydrophobicContact CD1-CG 3.68Å; F209-W312 HydrophobicContact CD2-CB 4.42Å; F209-W312 HydrophobicContact CD2-CG 4.46Å; F209-W312 HydrophobicContact CE1-CB 3.55Å; F209-W312 AromaticContact CE1-CD1 3.63Å; F209-W312 AromaticContact CE1-CD2 3.11Å; F209-W312 HydrophobicContact CE1-CD2 3.11Å; F209-W312 AromaticContact CE1-CE2 3.7Å; F209-W312 AromaticContact CE1-CE3 3.52Å; F209-W312 HydrophobicContact CE1-CE3 3.52Å; F209-W312 AromaticContact CE1-CG 3.1Å; F209-W312 HydrophobicContact CE1-CG 3.1Å; F209-W312 HydrophobicContact CE1-CZ3 4.4Å; F209-W312 AromaticContact CE1-NE1 3.94Å; F209-W312 HydrophobicContact CE2-CB 4.39Å; F209-W312 AromaticContact CE2-CD1 3.74Å; F209-W312 AromaticContact CE2-CG 3.96Å; F209-W312 HydrophobicContact CE2-CG 3.96Å; F209-W312 HydrophobicContact CG-CB 4.01Å; F209-W312 HydrophobicContact CG-CG 4.33Å; F209-W312 HydrophobicContact CZ-CB 3.98Å; F209-W312 AromaticContact CZ-CD1 3.23Å; F209-W312 AromaticContact CZ-CD2 3.47Å; F209-W312 HydrophobicContact CZ-CD2 3.47Å; F209-W312 VanDerWaalsContact CZ-CD2 3.47Å; F209-W312 AromaticContact CZ-CE2 3.6Å; F209-W312 HydrophobicContact CZ-CE3 4.29Å; F209-W312 AromaticContact CZ-CG 3.25Å; F209-W312 HydrophobicContact CZ-CG 3.25Å; F209-W312 AromaticContact CZ-NE1 3.42Å; E249-W312 HydrophobicContact CG-CZ2 4.17Å; E249-W312 PolarHBondContact OE1-NE1 2.98Å; F252-W312 HydrophobicContact CB-CH2 4.11Å; F253-W312 HydrophobicContact CB-CH2 4.02Å; F253-W312 HydrophobicContact CB-CZ2 3.97Å; F253-W312 HydrophobicContact CD2-CH2 4.46Å; F253-W312 HydrophobicContact CD2-CZ2 4.33Å; Y256-W312 HydrophobicContact CD2-CZ3 4.4Å; Y257-W312 HydrophobicContact CD2-CH2 4.27Å; Y257-W312 HydrophobicContact CD2-CZ3 4.38Å; Y257-W312 HydrophobicContact CE2-CE3 4.21Å; Y257-W312 AromaticContact CE2-CH2 3.76Å; Y257-W312 HydrophobicContact CE2-CH2 3.76Å; Y257-W312 AromaticContact CE2-CZ3 3.56Å; Y257-W312 HydrophobicContact CE2-CZ3 3.56Å; F307-W312 HydrophobicContact CE1-CD2 4.14Å; F307-W312 AromaticContact CE1-CE3 3.63Å; F307-W312 HydrophobicContact CE1-CE3 3.63Å; F307-W312 AromaticContact CE1-CH2 3.85Å; F307-W312 HydrophobicContact CE1-CH2 3.85Å; F307-W312 HydrophobicContact CE1-CZ2 4.39Å; F307-W312 AromaticContact CE1-CZ3 3.47Å; F307-W312 HydrophobicContact CE1-CZ3 3.47Å; F307-W312 VanDerWaalsContact CE1-CZ3 3.47Å; F307-W312 AromaticContact CZ-CD2 3.56Å; F307-W312 HydrophobicContact CZ-CD2 3.56Å; F307-W312 AromaticContact CZ-CE2 3.72Å; F307-W312 AromaticContact CZ-CE3 3.55Å; F307-W312 HydrophobicContact CZ-CE3 3.55Å; F307-W312 HydrophobicContact CZ-CG 4.16Å; F307-W312 AromaticContact CZ-CH2 3.77Å; F307-W312 HydrophobicContact CZ-CH2 3.77Å; F307-W312 AromaticContact CZ-CZ2 3.84Å; F307-W312 HydrophobicContact CZ-CZ2 3.84Å; F307-W312 AromaticContact CZ-CZ3 3.66Å; F307-W312 HydrophobicContact CZ-CZ3 3.66Å; D308-W312 VanDerWaalsContact O-CA 3.26Å; D308-W312 WeakPolarHBondContact O-CA 3.5Å; D308-W312 PolarHBondContact O-N 2.94Å
313T87.2Confident92.2Very high50 Ų5055 Ų5531%0.30727%0.265SS..EExtended strand (participates in β ladder)trans-151.1150.5-174.4-168.60000112D308 K311 R315D308-T313 HydrophobicContact CB-CG2 4.37Å; D308-T313 WeakPolarHBondContact CB-O 3.13Å; D308-T313 PolarHBondContact N-O 2.81Å; D308-T313 PolarHBondContact O-N 3.33Å; D308-T313 VanDerWaalsContact O-N 3.13Å; K311-T313 HydrophobicContact CB-CG2 3.79Å; K311-T313 PolarHBondContact O-N 3.17Å; T313-R315 HydrophobicContact CG2-CG 4Å
314Q91.3Very high92.1Very high88 Ų8857.7 Ų57.741%0.41127%0.274SS..EExtended strand (participates in β ladder)trans-80138.7170.2-68.7-177.132.300110.3T248 V305 Y306 F307T248-Q314 PolarHBondContact OG1-NE2 2.61Å; V305-Q314 HydrophobicContact CG1-CB 4.22Å; Y306-Q314 WeakPolarHBondContact O-CA 3.44Å; F307-Q314 HydrophobicContact CD2-CG 3.93Å
315R95.8Very high91.9Very high106 Ų10665.5 Ų65.540%0.430%0.304SS..EExtended strand (participates in β ladder)trans-133.3145.5-176.2-62.4-67.5-122.3-154.88.4109.3V305 Y306 D308 T313V305-R315 CarbonylContact C-O 3.57Å; V305-R315 WeakPolarHBondContact CA-O 3.44Å; Y306-R315 HydrophobicContact CD1-CB 3.95Å; Y306-R315 WeakPolarHBondContact CD1-O 3.09Å; Y306-R315 HydrophobicContact CE1-CB 3.34Å; Y306-R315 HydrophobicContact CE1-CG 4.38Å; Y306-R315 HydrophobicContact CE2-CB 4.03Å; Y306-R315 HydrophobicContact CE2-CG 4.33Å; Y306-R315 PolarHBondContact N-O 3.09Å; Y306-R315 PolarHBondContact O-N 2.93Å; D308-R315 HydrophobicContact CB-CG 3.96Å; T313-R315 HydrophobicContact CG2-CG 4Å
316K97.5Very high91.7Very high105 Ų10566.8 Ų66.846%0.45731%0.307SS..EExtended strand (participates in β ladder)trans-98137.1172.6-175.1176.6173.8175.10109.2H289 T303 Y304 E318H289-K316 WeakPolarHBondContact CD2-CE 3.4Å; H289-K316 PolarHBondContact CD2-NZ 2.79Å; H289-K316 VanDerWaalsContact CD2-NZ 3.28Å; H289-K316 PolarHBondContact NE2-NZ 2.87Å; T303-K316 HydrophobicContact CG2-CD 4.2Å; T303-K316 HydrophobicContact CG2-CG 3.95Å; Y304-K316 CarbonylContact O-C 3.35Å; Y304-K316 WeakPolarHBondContact O-CA 3.4Å; K316-E318 IonicContact NZ-OE1 3.55Å
317K96.3Very high91.5Very high88 Ų8867.3 Ų67.338%0.38331%0.312SS..EExtended strand (participates in β ladder)trans-131.1118.2175.7-166.8173.1177.8179.50109.5T303 Y304 Y306 F320T303-K317 WeakPolarHBondContact CA-O 3.35Å; Y304-K317 PolarHBondContact N-O 3.05Å; Y304-K317 PolarHBondContact O-N 3.28Å; Y306-K317 HydrophobicContact CD1-CB 4.12Å; Y306-K317 HydrophobicContact CE1-CB 3.96Å; K317-F320 HydrophobicContact CB-CB 4.45Å; K317-F320 HydrophobicContact CD-CB 4.1Å; K317-F320 HydrophobicContact CD-CD2 3.75Å; K317-F320 HydrophobicContact CD-CG 4.14Å; K317-F320 HydrophobicContact CG-CB 4.07Å
318E97.4Very high91.2Very high141 Ų14169.1 Ų69.166%0.65932%0.32SS*.EExtended strand (participates in β ladder)trans-89.2148.6179-64.6176.5-17900110.3T303 K316 F320T303-E318 HydrophobicContact CG2-CG 3.88Å; K316-E318 IonicContact NZ-OE1 3.55Å; E318-F320 PolarHBondContact O-N 2.88Å; E318-F320 VanDerWaalsContact O-N 3.17Å
319G96.1Very high90.5Very high42 Ų4275.1 Ų75.143%0.43335%0.353SS..EExtended strand (participates in β ladder)trans60.224.3178.300000114.7Q301 G302Q301-G319 PolarHBondContact NE2-O 3.14Å; G302-G319 PolarHBondContact O-N 2.88Å
320F96.8Very high89.7Confident8 Ų881.8 Ų81.84%0.03538%0.376CS..EExtended strand (participates in β ladder)trans-75.6128.8-179.5176.8-110.3000110.9H279 Y282 F286 Q301 G302 Y304 K317 E318 F322H279-F320 AromaticContact CD2-CZ 3.91Å; H279-F320 AromaticContact NE2-CZ 3.96Å; Y282-F320 HydrophobicContact CD2-CE2 4.41Å; Y282-F320 HydrophobicContact CD2-CZ 4.13Å; Y282-F320 AromaticContact CE2-CE2 3.67Å; Y282-F320 HydrophobicContact CE2-CE2 3.67Å; Y282-F320 AromaticContact CE2-CZ 3.71Å; Y282-F320 HydrophobicContact CE2-CZ 3.71Å; F286-F320 HydrophobicContact CD1-CD1 4.09Å; F286-F320 AromaticContact CD1-CE1 3.76Å; F286-F320 HydrophobicContact CD1-CE1 3.76Å; F286-F320 HydrophobicContact CD1-CZ 4.41Å; F286-F320 AromaticContact CE1-CD1 3.92Å; F286-F320 HydrophobicContact CE1-CD1 3.92Å; F286-F320 AromaticContact CE1-CE1 3.49Å; F286-F320 HydrophobicContact CE1-CE1 3.49Å; F286-F320 VanDerWaalsContact CE1-CE1 3.49Å; F286-F320 HydrophobicContact CE1-CE2 4.32Å; F286-F320 HydrophobicContact CE1-CG 4.48Å; F286-F320 AromaticContact CE1-CZ 3.72Å; F286-F320 HydrophobicContact CE1-CZ 3.72Å; F286-F320 HydrophobicContact CZ-CE1 4.03Å; F286-F320 AromaticContact CZ-CZ 3.85Å; F286-F320 HydrophobicContact CZ-CZ 3.85Å; Q301-F320 WeakPolarHBondContact CA-O 3.41Å; G302-F320 PolarHBondContact N-O 3.41Å; G302-F320 PolarHBondContact O-N 2.82Å; Y304-F320 HydrophobicContact CD2-CB 3.96Å; Y304-F320 AromaticContact CD2-CD1 3.7Å; Y304-F320 HydrophobicContact CD2-CD1 3.7Å; Y304-F320 HydrophobicContact CD2-CG 4.32Å; Y304-F320 HydrophobicContact CE2-CD1 4.11Å; Y304-F320 HydrophobicContact CG-CD1 4.1Å; K317-F320 HydrophobicContact CB-CB 4.45Å; K317-F320 HydrophobicContact CD-CB 4.1Å; K317-F320 HydrophobicContact CD-CD2 3.75Å; K317-F320 HydrophobicContact CD-CG 4.14Å; K317-F320 HydrophobicContact CG-CB 4.07Å; E318-F320 PolarHBondContact O-N 2.88Å; E318-F320 VanDerWaalsContact O-N 3.17Å; F320-F322 HydrophobicContact CD1-CB 4.25Å; F320-F322 HydrophobicContact CE1-CB 3.83Å; F320-F322 AromaticContact CE1-CD2 3.82Å; F320-F322 HydrophobicContact CE1-CD2 3.82Å; F320-F322 HydrophobicContact CE1-CG 4.16Å
321T97.6Very high88.9Confident56 Ų5684.4 Ų84.434%0.34439%0.393SS..EExtended strand (participates in β ladder)trans-89.5110.8171.7-55.80000109.7Y299 E300 E323Y299-T321 HydrophobicContact CD2-CG2 3.57Å; Y299-T321 HydrophobicContact CE2-CG2 4.31Å; Y299-T321 HydrophobicContact CG-CG2 3.87Å; E300-T321 CarbonylContact O-C 3.51Å; E300-T321 WeakPolarHBondContact O-CA 3.31Å; T321-E323 HydrophobicContact CG2-CG 4.18Å
322F96.7Very high87.7Confident3 Ų380.5 Ų80.51%0.01338%0.378CS..EExtended strand (participates in β ladder)trans-92.5103.8170.3-163-58.4000108.3H279 F286 Y299 E300 F320 L327H279-F322 HydrophobicContact CB-CE2 4.04Å; H279-F322 HydrophobicContact CB-CZ 3.98Å; H279-F322 AromaticContact CD2-CD2 3.96Å; H279-F322 AromaticContact CD2-CE2 3.72Å; H279-F322 AromaticContact CD2-CZ 3.76Å; F286-F322 HydrophobicContact CB-CD2 4.27Å; F286-F322 HydrophobicContact CB-CE2 3.98Å; F286-F322 HydrophobicContact CD2-CE2 4.13Å; F286-F322 HydrophobicContact CG-CD2 4.31Å; F286-F322 HydrophobicContact CG-CE2 4.11Å; Y299-F322 VanDerWaalsContact CA-O 3.31Å; Y299-F322 WeakPolarHBondContact CA-O 3.35Å; Y299-F322 WeakPolarHBondContact CB-O 3.28Å; E300-F322 HydrophobicContact CG-CB 3.82Å; E300-F322 PolarHBondContact N-O 3.3Å; E300-F322 PolarHBondContact O-N 2.97Å; F320-F322 HydrophobicContact CD1-CB 4.25Å; F320-F322 HydrophobicContact CE1-CB 3.83Å; F320-F322 AromaticContact CE1-CD2 3.82Å; F320-F322 HydrophobicContact CE1-CD2 3.82Å; F320-F322 HydrophobicContact CE1-CG 4.16Å; F322-L327 HydrophobicContact CE1-CB 3.86Å; F322-L327 HydrophobicContact CE1-CD1 3.87Å; F322-L327 HydrophobicContact CE1-CG 4.44Å; F322-L327 HydrophobicContact CZ-CB 4.48Å; F322-L327 HydrophobicContact CZ-CD1 3.78Å
323E96.8Very high85.6Confident66 Ų6684.3 Ų84.331%0.30843%0.426SS..EExtended strand (participates in β ladder)trans-79.8127.7175-55.1-177.2-115.700110.5T321 R325 Y326T321-E323 HydrophobicContact CG2-CG 4.18Å; E323-R325 HydrophobicContact CB-CG 3.99Å; E323-R325 PolarHBondContact O-N 3.46Å; E323-R325 VanDerWaalsContact O-N 3.14Å; E323-R325 IonicContact OE1-CZ 3.93Å; E323-R325 IonicContact OE1-NE 2.86Å; E323-R325 IonicContact OE1-NH2 2.95Å; E323-R325 PolarHBondContact OE1-NH2 3.38Å; E323-R325 IonicContact OE2-CZ 2.67Å; E323-R325 IonicContact OE2-NE 3.82Å; E323-R325 PolarHBondContact OE2-NE 2.77Å; E323-R325 IonicContact OE2-NH2 3.06Å; E323-R325 PolarHBondContact OE2-NH2 3.07Å; E323-Y326 HydrophobicContact CB-CD2 3.93Å; E323-Y326 HydrophobicContact CB-CE2 4.25Å; E323-Y326 PolarHBondContact O-N 3.28Å
324Y94.9Very high85.6Confident68 Ų6886 Ų8627%0.26743%0.432SS..G310 helixtrans-65.2-21.2-174.9-62.2-45.4000113.5T296 D297 E298 E300 Y326 L327T296-Y324 VanDerWaalsContact O-CE2 3.32Å; T296-Y324 WeakPolarHBondContact O-CE2 3.31Å; D297-Y324 WeakPolarHBondContact O-CD2 3.47Å; E298-Y324 VanDerWaalsContact C-CD2 3.49Å; E298-Y324 PolarHBondContact O-N 2.6Å; E300-Y324 HydrophobicContact CB-CE1 4.4Å; E300-Y324 HydrophobicContact CG-CE1 3.88Å; Y324-Y326 PolarHBondContact O-N 2.95Å; Y324-Y326 VanDerWaalsContact O-N 3.09Å; Y324-L327 HydrophobicContact CD1-CD2 4.4Å; Y324-L327 VanDerWaalsContact O-CB 3.23Å; Y324-L327 WeakPolarHBondContact O-CB 3.24Å; Y324-L327 PolarHBondContact O-N 2.76Å
325R94.1Very high85.3Confident167 Ų16785.9 Ų85.963%0.6343%0.433SS*.G310 helixtrans-58.7-20.5170.567.2175.6173.1166.8-0.2113.9E323E323-R325 HydrophobicContact CB-CG 3.99Å; E323-R325 PolarHBondContact O-N 3.46Å; E323-R325 VanDerWaalsContact O-N 3.14Å; E323-R325 IonicContact OE1-CZ 3.93Å; E323-R325 IonicContact OE1-NE 2.86Å; E323-R325 IonicContact OE1-NH2 2.95Å; E323-R325 PolarHBondContact OE1-NH2 3.38Å; E323-R325 IonicContact OE2-CZ 2.67Å; E323-R325 IonicContact OE2-NE 3.82Å; E323-R325 PolarHBondContact OE2-NE 2.77Å; E323-R325 IonicContact OE2-NH2 3.06Å; E323-R325 PolarHBondContact OE2-NH2 3.07Å
326Y93.9Very high84.7Confident50 Ų5084.8 Ų84.820%0.19644%0.435CS..G310 helixtrans-103.73.3175.5-55.8-56.9000113.3H279 T280 Q281 E323 Y324H279-Y326 CarbonylContact C-O 3.56Å; H279-Y326 WeakPolarHBondContact CA-O 3.41Å; H279-Y326 WeakPolarHBondContact CE1-CB 3.31Å; H279-Y326 AromaticContact CE1-CD2 3.5Å; H279-Y326 VanDerWaalsContact CE1-CD2 3.5Å; H279-Y326 WeakPolarHBondContact CE1-CD2 3.41Å; H279-Y326 AromaticContact CE1-CG 3.53Å; H279-Y326 WeakPolarHBondContact ND1-CB 3.37Å; H279-Y326 AromaticContact NE2-CD2 3.94Å; T280-Y326 PolarHBondContact N-O 3.14Å; T280-Y326 WeakPolarHBondContact OG1-CA 3.46Å; T280-Y326 PolarHBondContact OG1-O 3.45Å; T280-Y326 VanDerWaalsContact OG1-O 3.12Å; Q281-Y326 HydrophobicContact CB-CD1 3.76Å; Q281-Y326 HydrophobicContact CB-CD2 4.41Å; Q281-Y326 HydrophobicContact CB-CE1 4Å; Q281-Y326 HydrophobicContact CB-CG 3.97Å; Q281-Y326 HydrophobicContact CG-CE1 4.47Å; Q281-Y326 PolarHBondContact OE1-OH 3.03Å; E323-Y326 HydrophobicContact CB-CD2 3.93Å; E323-Y326 HydrophobicContact CB-CE2 4.25Å; E323-Y326 PolarHBondContact O-N 3.28Å; Y324-Y326 PolarHBondContact O-N 2.95Å; Y324-Y326 VanDerWaalsContact O-N 3.09Å
327L93Very high83.9Confident52 Ų5283.6 Ų83.627%0.27243%0.434SS..BIsolated β-bridgetrans-72.1128.8172.4-173.457.4000109.4R277 F322 Y324 D329R277-L327 HydrophobicContact CB-CD1 3.72Å; R277-L327 HydrophobicContact CG-CD1 4.07Å; F322-L327 HydrophobicContact CE1-CB 3.86Å; F322-L327 HydrophobicContact CE1-CD1 3.87Å; F322-L327 HydrophobicContact CE1-CG 4.44Å; F322-L327 HydrophobicContact CZ-CB 4.48Å; F322-L327 HydrophobicContact CZ-CD1 3.78Å; Y324-L327 HydrophobicContact CD1-CD2 4.4Å; Y324-L327 VanDerWaalsContact O-CB 3.23Å; Y324-L327 WeakPolarHBondContact O-CB 3.24Å; Y324-L327 PolarHBondContact O-N 2.76Å; L327-D329 PolarHBondContact O-N 3.22Å
328E87.3Confident83.2Confident43 Ų4383.3 Ų83.320%0.20144%0.437CS..  trans-73.3108.5172.8-160.6-70.9129.200110.2K272 F278 T280 R330K272-E328 VanDerWaalsContact CE-OE2 3.3Å; K272-E328 WeakPolarHBondContact CE-OE2 3.45Å; K272-E328 IonicContact NZ-OE2 2.58Å; K272-E328 PolarHBondContact NZ-OE2 3.3Å; F278-E328 HydrophobicContact CB-CB 4.01Å; F278-E328 HydrophobicContact CD1-CB 4.1Å; F278-E328 HydrophobicContact CD1-CG 4.23Å; F278-E328 PolarHBondContact O-N 2.82Å; F278-E328 VanDerWaalsContact O-N 3.11Å; T280-E328 HydrophobicContact CG2-CB 3.99Å; T280-E328 HydrophobicContact CG2-CG 4.28Å; E328-R330 WeakPolarHBondContact OE1-CA 3.32Å; E328-R330 WeakPolarHBondContact OE1-CB 3.36Å; E328-R330 WeakPolarHBondContact OE1-CG 3.32Å; E328-R330 PolarHBondContact OE1-N 3.18Å
329D73.6Confident82.2Confident135 Ų13579.5 Ų79.572%0.72242%0.422SS*.  trans-97.93.2-170.6-161.425.4000114.4L327 D331L327-D329 PolarHBondContact O-N 3.22Å; D329-D331 PolarHBondContact O-N 2.68Å
330R61.6Low81.2Confident195 Ų19582.1 Ų82.174%0.73642%0.421SS*.  trans-71.5111.3177.7-58.7175.4-172.5-171.42.2109.3K272 E328 L332K272-R330 PolarHBondContact NZ-O 3.16Å; E328-R330 WeakPolarHBondContact OE1-CA 3.32Å; E328-R330 WeakPolarHBondContact OE1-CB 3.36Å; E328-R330 WeakPolarHBondContact OE1-CG 3.32Å; E328-R330 PolarHBondContact OE1-N 3.18Å; R330-L332 PolarHBondContact O-N 2.81Å
331D59.6Low80Confident154 Ų15487.8 Ų87.882%0.82445%0.451SS*.  trans-56.4112.9160.3-79-35.5000108.2D329 G333D329-D331 PolarHBondContact O-N 2.68Å; D331-G333 PolarHBondContact O-N 3.43Å
332L53.8Low78.5Confident45 Ų4590.5 Ų90.524%0.23646%0.46CS..  trans-7755175.1-65.9173.1000109.1Y265 A268 K269 K272 R330Y265-L332 HydrophobicContact CD2-CB 4.41Å; Y265-L332 HydrophobicContact CD2-CD2 3.85Å; Y265-L332 HydrophobicContact CE2-CB 3.71Å; Y265-L332 HydrophobicContact CE2-CD2 3.85Å; Y265-L332 HydrophobicContact CE2-CG 4.28Å; Y265-L332 PolarHBondContact OH-O 2.88Å; A268-L332 HydrophobicContact CB-CD1 3.74Å; K269-L332 HydrophobicContact CB-CD1 4.31Å; K269-L332 VanDerWaalsContact CE-O 3.32Å; K269-L332 WeakPolarHBondContact CE-O 3.41Å; K269-L332 PolarHBondContact NZ-O 3.48Å; K272-L332 HydrophobicContact CD-CD1 4.2Å; R330-L332 PolarHBondContact O-N 2.81Å
333G37.4Very low76.9Confident108 Ų10898.5 Ų98.5100%1.11350%0.5SS*.  trans-48.10177.600000111.7Y265 K269 D331Y265-G333 PolarHBondContact OH-O 2.88Å; K269-G333 PolarHBondContact NZ-OXT 2.74Å; D331-G333 PolarHBondContact O-N 3.43Å

Retrieved 333 of 333 residues in 418.5 ms (Link to these results)

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