A0A087XJ77_POEFO Loading...

Protein FAM221A

AlphaFold DB , UniProt , Accession A0A087XJ77, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 213 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
1M42.7Very low58.9Low241 Ų241131.5 Ų131.5100%1.18773%0.731SS**  091.50-79.1168.7165.600107.7
2T35.4Very low61.2Low142 Ų142128 Ų12887%0.87170%0.704SS**  trans-87.5118.7161.4370000106.3
3P51Low63.3Low107 Ų107121.5 Ų121.570%0.69568%0.677SS**  trans-67.9152.1-173.8-9.623.6000110.8N5P3-N5 PolarHBondContact O-N 3.16Å
4V54.4Low65.1Low117 Ų117119.6 Ų119.671%0.70967%0.67SS**SBendtrans-43.9127.6166177.20000109.9
5N50.3Low66.8Low110 Ų110118.9 Ų118.959%0.58867%0.665SS**  trans-7.4115171.8-164-22.1000116.5P3 N7P3-N5 PolarHBondContact O-N 3.16Å; N5-N7 PolarHBondContact O-N 3.2Å; N5-N7 PolarHBondContact OD1-N 3.15Å
6Q50.9Low68.3Low179 Ų179115.3 Ų115.384%0.83664%0.643SS**THydrogen-bonded Turntrans-70.712.3-174.8-67.4178.6-2400115.7
7N57.9Low69.6Low152 Ų152115.5 Ų115.581%0.81363%0.633SS**THydrogen-bonded Turntrans-125.228.9-176.8-83.7-38.8000113.9N5N5-N7 PolarHBondContact O-N 3.2Å; N5-N7 PolarHBondContact OD1-N 3.15Å
8K61.4Low70.8Confident96 Ų96110.9 Ų110.942%0.41761%0.613SS.*SBendtrans-113.1140.8170-79.3-171.2172.4-170.50110.6E12 D16K8-E12 HydrophobicContact CB-CB 4.23Å; K8-E12 HydrophobicContact CD-CB 4.27Å; K8-E12 HydrophobicContact CG-CB 4.45Å; K8-D16 VanDerWaalsContact CD-OD2 3.3Å; K8-D16 WeakPolarHBondContact CD-OD2 3.47Å; K8-D16 WeakPolarHBondContact CE-OD2 3.43Å; K8-D16 IonicContact NZ-OD1 2.83Å; K8-D16 PolarHBondContact NZ-OD1 3.49Å; K8-D16 VanDerWaalsContact NZ-OD1 3.16Å; K8-D16 IonicContact NZ-OD2 3.53Å; K8-D16 PolarHBondContact NZ-OD2 3.01Å
9T81.5Confident72Confident83 Ų83109.6 Ų109.651%0.50960%0.602SS.*  trans-62.5152.817163.80000109.5L11 E12 A13T9-L11 PolarHBondContact O-N 3.37Å; T9-L11 VanDerWaalsContact O-N 3.11Å; T9-E12 PolarHBondContact N-OE2 3.24Å; T9-E12 PolarHBondContact O-N 3.41Å; T9-E12 VanDerWaalsContact O-N 3.12Å; T9-E12 VanDerWaalsContact OG1-CD 3.24Å; T9-E12 VanDerWaalsContact OG1-CG 3.3Å; T9-E12 WeakPolarHBondContact OG1-CG 3.17Å; T9-E12 PolarHBondContact OG1-OE2 2.79Å; T9-A13 PolarHBondContact O-N 2.81Å
10A80.7Confident73.1Confident85 Ų85105.1 Ų105.170%0.70258%0.575SS**Hα-helixtrans-57.7-29.2-178.400000113.1V14A10-V14 WeakPolarHBondContact O-CG2 3.42Å; A10-V14 PolarHBondContact O-N 3.31Å
11L81.7Confident74.1Confident135 Ų135103.6 Ų103.671%0.70756%0.561SS**Hα-helixtrans-68-47.1176.3-70.9168.2000111.9T9 A13 V14 D15T9-L11 PolarHBondContact O-N 3.37Å; T9-L11 VanDerWaalsContact O-N 3.11Å; L11-A13 VanDerWaalsContact C-N 3.28Å; L11-A13 PolarHBondContact O-N 2.79Å; L11-V14 WeakPolarHBondContact O-CB 3.34Å; L11-V14 PolarHBondContact O-N 3.28Å; L11-V14 VanDerWaalsContact O-N 3.09Å; L11-D15 PolarHBondContact O-N 3.42Å
12E87.2Confident76.4Confident89 Ų8999 Ų9942%0.41653%0.531SS..Hα-helixtrans-61.5-37.6179.1-69.3164.6143.800111.8K8 T9 V14 D15 D16K8-E12 HydrophobicContact CB-CB 4.23Å; K8-E12 HydrophobicContact CD-CB 4.27Å; K8-E12 HydrophobicContact CG-CB 4.45Å; T9-E12 PolarHBondContact N-OE2 3.24Å; T9-E12 PolarHBondContact O-N 3.41Å; T9-E12 VanDerWaalsContact O-N 3.12Å; T9-E12 VanDerWaalsContact OG1-CD 3.24Å; T9-E12 VanDerWaalsContact OG1-CG 3.3Å; T9-E12 WeakPolarHBondContact OG1-CG 3.17Å; T9-E12 PolarHBondContact OG1-OE2 2.79Å; E12-V14 VanDerWaalsContact C-N 3.32Å; E12-V14 PolarHBondContact O-N 3.25Å; E12-D15 PolarHBondContact O-N 3.28Å; E12-D16 WeakPolarHBondContact O-CB 3.49Å; E12-D16 PolarHBondContact O-N 3.37Å
13A87.4Confident79.2Confident43 Ų4392.4 Ų92.436%0.35549%0.49SS..Hα-helixtrans-65.3-34.8176.500000112.8T9 L11 Y17T9-A13 PolarHBondContact O-N 2.81Å; L11-A13 VanDerWaalsContact C-N 3.28Å; L11-A13 PolarHBondContact O-N 2.79Å; A13-Y17 WeakPolarHBondContact O-CB 3.34Å; A13-Y17 PolarHBondContact O-N 3.45Å; A13-Y17 VanDerWaalsContact O-N 3.12Å
14V89Confident81.2Confident95 Ų9587.3 Ų87.358%0.57646%0.457SS*.Hα-helixtrans-69-43.8175.4170.50000110.6A10 L11 E12 Y17 A18A10-V14 WeakPolarHBondContact O-CG2 3.42Å; A10-V14 PolarHBondContact O-N 3.31Å; L11-V14 WeakPolarHBondContact O-CB 3.34Å; L11-V14 PolarHBondContact O-N 3.28Å; L11-V14 VanDerWaalsContact O-N 3.09Å; E12-V14 VanDerWaalsContact C-N 3.32Å; E12-V14 PolarHBondContact O-N 3.25Å; V14-Y17 PolarHBondContact O-N 3.01Å; V14-A18 WeakPolarHBondContact O-CB 3.32Å; V14-A18 PolarHBondContact O-N 3.25Å
15D90.5Very high82.8Confident110 Ų11082.2 Ų82.259%0.58843%0.428SS*.Hα-helixtrans-65.3-44.4178.7-73.4-25.3000111.9L11 E12 Y17 A18 E19L11-D15 PolarHBondContact O-N 3.42Å; E12-D15 PolarHBondContact O-N 3.28Å; D15-Y17 VanDerWaalsContact C-N 3.31Å; D15-Y17 PolarHBondContact O-N 3.02Å; D15-A18 PolarHBondContact O-N 2.92Å; D15-E19 PolarHBondContact O-N 2.95Å
16D90.4Very high84.6Confident60 Ų6080.3 Ų80.332%0.32142%0.418SS..Hα-helixtrans-56.8-45.7174.1-73-20.4000111.2K8 E12 E19 Y20K8-D16 VanDerWaalsContact CD-OD2 3.3Å; K8-D16 WeakPolarHBondContact CD-OD2 3.47Å; K8-D16 WeakPolarHBondContact CE-OD2 3.43Å; K8-D16 IonicContact NZ-OD1 2.83Å; K8-D16 PolarHBondContact NZ-OD1 3.49Å; K8-D16 VanDerWaalsContact NZ-OD1 3.16Å; K8-D16 IonicContact NZ-OD2 3.53Å; K8-D16 PolarHBondContact NZ-OD2 3.01Å; E12-D16 WeakPolarHBondContact O-CB 3.49Å; E12-D16 PolarHBondContact O-N 3.37Å; D16-E19 PolarHBondContact O-N 3.42Å; D16-Y20 WeakPolarHBondContact O-CB 3.47Å; D16-Y20 PolarHBondContact O-N 2.67Å
17Y91.4Very high86.4Confident119 Ų11975.2 Ų75.247%0.46740%0.397SS..Hα-helixtrans-67.3-38.4179.6-179.2-109.6000111.9A13 V14 D15 Y20 R21 L32A13-Y17 WeakPolarHBondContact O-CB 3.34Å; A13-Y17 PolarHBondContact O-N 3.45Å; A13-Y17 VanDerWaalsContact O-N 3.12Å; V14-Y17 PolarHBondContact O-N 3.01Å; D15-Y17 VanDerWaalsContact C-N 3.31Å; D15-Y17 PolarHBondContact O-N 3.02Å; Y17-Y20 HydrophobicContact CD2-CD1 4.44Å; Y17-Y20 HydrophobicContact CE2-CD1 4.42Å; Y17-Y20 PolarHBondContact O-N 3.37Å; Y17-R21 HydrophobicContact CD1-CG 4.38Å; Y17-R21 HydrophobicContact CE1-CG 3.9Å; Y17-R21 HydrophobicContact CE2-CG 4.05Å; Y17-R21 WeakPolarHBondContact O-CB 3.43Å; Y17-R21 WeakPolarHBondContact O-CG 3.4Å; Y17-R21 PolarHBondContact O-N 3.4Å; Y17-L32 HydrophobicContact CE2-CD1 4.4Å; Y17-L32 HydrophobicContact CE2-CD2 3.78Å
18A91.3Very high87.9Confident33 Ų3369 Ų6927%0.27336%0.363SS..Hα-helixtrans-64-41.8175.200000111.4V14 D15 R21 R22V14-A18 WeakPolarHBondContact O-CB 3.32Å; V14-A18 PolarHBondContact O-N 3.25Å; D15-A18 PolarHBondContact O-N 2.92Å; A18-R21 PolarHBondContact O-N 3.42Å; A18-R22 VanDerWaalsContact O-CG 3.31Å; A18-R22 WeakPolarHBondContact O-CG 3.2Å; A18-R22 PolarHBondContact O-N 2.92Å; A18-R22 VanDerWaalsContact O-N 3.13Å
19E92.8Very high89.2Confident87 Ų8768 Ų6841%0.40738%0.38SS..Hα-helixtrans-65-47.5174.2-177.7170.8-137.500111.6D15 D16 R21 R22 I23D15-E19 PolarHBondContact O-N 2.95Å; D16-E19 PolarHBondContact O-N 3.42Å; E19-R21 VanDerWaalsContact C-N 3.28Å; E19-R21 PolarHBondContact O-N 3.02Å; E19-R22 WeakPolarHBondContact O-CB 3.47Å; E19-R22 PolarHBondContact O-N 2.78Å; E19-I23 HydrophobicContact CG-CD1 3.87Å; E19-I23 HydrophobicContact CG-CG1 4.42Å; E19-I23 PolarHBondContact O-N 3.45Å
20Y94.4Very high89.5Confident18 Ų1867.6 Ų67.67%0.07139%0.393CS..Hα-helixtrans-51.2-49.7174.3171.9-87.5000110.7D16 Y17 R22 I23 V24 D28 L32 F33 Y38D16-Y20 WeakPolarHBondContact O-CB 3.47Å; D16-Y20 PolarHBondContact O-N 2.67Å; Y17-Y20 HydrophobicContact CD2-CD1 4.44Å; Y17-Y20 HydrophobicContact CE2-CD1 4.42Å; Y17-Y20 PolarHBondContact O-N 3.37Å; Y20-R22 VanDerWaalsContact C-N 3.3Å; Y20-R22 PolarHBondContact O-N 3.32Å; Y20-I23 PolarHBondContact O-N 2.71Å; Y20-V24 HydrophobicContact CD2-CG2 3.78Å; Y20-V24 HydrophobicContact CE1-CB 4.16Å; Y20-V24 HydrophobicContact CE1-CG1 4.39Å; Y20-V24 HydrophobicContact CE1-CG2 4.27Å; Y20-V24 HydrophobicContact CE2-CB 4.29Å; Y20-V24 HydrophobicContact CE2-CG2 3.54Å; Y20-V24 HydrophobicContact CG-CG2 4.26Å; Y20-V24 WeakPolarHBondContact O-CB 3.23Å; Y20-V24 WeakPolarHBondContact O-CG2 3.46Å; Y20-V24 PolarHBondContact O-N 2.79Å; Y20-D28 WeakPolarHBondContact CE1-OD2 3.5Å; Y20-D28 WeakPolarHBondContact OH-CB 3.44Å; Y20-D28 PolarHBondContact OH-OD2 2.85Å; Y20-L32 HydrophobicContact CD1-CD2 4.19Å; Y20-L32 HydrophobicContact CE1-CD2 3.49Å; Y20-L32 VanDerWaalsContact CE1-CD2 3.49Å; Y20-F33 HydrophobicContact CE2-CB 4.07Å; Y20-F33 HydrophobicContact CE2-CD2 4.09Å; Y20-F33 HydrophobicContact CE2-CG 4.36Å; Y20-F33 PolarHBondContact OH-N 3.04Å; Y20-F33 VanDerWaalsContact OH-N 3.08Å; Y20-Y38 HydrophobicContact CD2-CD1 4.48Å; Y20-Y38 AromaticContact CD2-CD2 3.76Å; Y20-Y38 HydrophobicContact CD2-CD2 3.76Å; Y20-Y38 HydrophobicContact CD2-CE1 4.48Å; Y20-Y38 AromaticContact CD2-CE2 3.79Å; Y20-Y38 HydrophobicContact CD2-CE2 3.79Å; Y20-Y38 HydrophobicContact CD2-CG 4.13Å; Y20-Y38 AromaticContact CE2-CD2 3.94Å; Y20-Y38 HydrophobicContact CE2-CD2 3.94Å; Y20-Y38 HydrophobicContact CE2-CE2 4.36Å; Y20-Y38 HydrophobicContact CE2-CG 4.33Å
21R93.1Very high90.1Very high75 Ų7571.1 Ų71.128%0.28339%0.392SS..Hα-helixtrans-62.1-33.5178.5-79.7-69.5-60.3145.5-3.3113.4Y17 A18 E19 G25 D26Y17-R21 HydrophobicContact CD1-CG 4.38Å; Y17-R21 HydrophobicContact CE1-CG 3.9Å; Y17-R21 HydrophobicContact CE2-CG 4.05Å; Y17-R21 WeakPolarHBondContact O-CB 3.43Å; Y17-R21 WeakPolarHBondContact O-CG 3.4Å; Y17-R21 PolarHBondContact O-N 3.4Å; A18-R21 PolarHBondContact O-N 3.42Å; E19-R21 VanDerWaalsContact C-N 3.28Å; E19-R21 PolarHBondContact O-N 3.02Å; R21-G25 PolarHBondContact NH1-O 3.23Å; R21-G25 VanDerWaalsContact O-CA 3.29Å; R21-G25 WeakPolarHBondContact O-CA 3.46Å; R21-G25 PolarHBondContact O-N 3.09Å; R21-D26 IonicContact CZ-OD1 3.31Å; R21-D26 IonicContact NH1-OD1 3.63Å; R21-D26 PolarHBondContact NH1-OD1 3.17Å; R21-D26 IonicContact NH2-OD1 2.88Å; R21-D26 PolarHBondContact NH2-OD1 3Å
22R92.4Very high90.7Very high143 Ų14369.2 Ų69.254%0.5438%0.382SS..Hα-helixtrans-73.8-35.3176.6-69.4172.3-167.6170.56.8112.3A18 E19 Y20 Y188 A189A18-R22 VanDerWaalsContact O-CG 3.31Å; A18-R22 WeakPolarHBondContact O-CG 3.2Å; A18-R22 PolarHBondContact O-N 2.92Å; A18-R22 VanDerWaalsContact O-N 3.13Å; E19-R22 WeakPolarHBondContact O-CB 3.47Å; E19-R22 PolarHBondContact O-N 2.78Å; Y20-R22 VanDerWaalsContact C-N 3.3Å; Y20-R22 PolarHBondContact O-N 3.32Å; R22-Y188 HydrophobicContact CB-CD1 3.51Å; R22-Y188 HydrophobicContact CB-CE1 3.96Å; R22-Y188 HydrophobicContact CB-CG 3.96Å; R22-Y188 CarbonylContact O-C 3.56Å; R22-Y188 WeakPolarHBondContact O-CA 3.44Å; R22-Y188 WeakPolarHBondContact O-CB 3.5Å; R22-A189 PolarHBondContact O-N 2.76Å
23I93.9Very high91Very high5 Ų567.4 Ų67.43%0.02637%0.373CS..Hα-helixtrans-81-50.2179.8-68178.1000110.5E19 Y20 Y38 Y41 K42 L46 R49 P187 Y188E19-I23 HydrophobicContact CG-CD1 3.87Å; E19-I23 HydrophobicContact CG-CG1 4.42Å; E19-I23 PolarHBondContact O-N 3.45Å; Y20-I23 PolarHBondContact O-N 2.71Å; I23-Y38 HydrophobicContact CB-CE2 4.42Å; I23-Y38 WeakPolarHBondContact CD1-OH 3.1Å; I23-Y38 HydrophobicContact CG2-CE2 4.08Å; I23-Y41 HydrophobicContact CG2-CE1 4.31Å; I23-K42 HydrophobicContact CG2-CG 4.17Å; I23-L46 HydrophobicContact CG2-CD2 4.42Å; I23-R49 PolarHBondContact O-NH1 3.17Å; I23-R49 PolarHBondContact O-NH2 3.35Å; I23-P187 HydrophobicContact CD1-CB 4.14Å; I23-P187 HydrophobicContact CD1-CG 4.09Å; I23-P187 HydrophobicContact CG1-CB 4.2Å; I23-P187 HydrophobicContact CG1-CG 4.24Å; I23-Y188 HydrophobicContact CG1-CD1 3.84Å; I23-Y188 HydrophobicContact CG1-CE1 4.2Å
24V92.6Very high91.4Very high0 Ų068.3 Ų68.30%037%0.374CS..Hα-helixtrans-80-32-175.1-179.40000111.7Y20 D26 D27 D28 F33 Y38 Y41Y20-V24 HydrophobicContact CD2-CG2 3.78Å; Y20-V24 HydrophobicContact CE1-CB 4.16Å; Y20-V24 HydrophobicContact CE1-CG1 4.39Å; Y20-V24 HydrophobicContact CE1-CG2 4.27Å; Y20-V24 HydrophobicContact CE2-CB 4.29Å; Y20-V24 HydrophobicContact CE2-CG2 3.54Å; Y20-V24 HydrophobicContact CG-CG2 4.26Å; Y20-V24 WeakPolarHBondContact O-CB 3.23Å; Y20-V24 WeakPolarHBondContact O-CG2 3.46Å; Y20-V24 PolarHBondContact O-N 2.79Å; V24-D26 PolarHBondContact O-N 3.36Å; V24-D27 HydrophobicContact CG1-CB 4.42Å; V24-D27 WeakPolarHBondContact O-CB 3.26Å; V24-D27 PolarHBondContact O-N 3.33Å; V24-D28 HydrophobicContact CG1-CB 3.82Å; V24-F33 HydrophobicContact CG1-CD2 4.21Å; V24-F33 HydrophobicContact CG1-CE2 3.62Å; V24-F33 HydrophobicContact CG1-CZ 4.13Å; V24-F33 HydrophobicContact CG2-CD2 4.13Å; V24-F33 HydrophobicContact CG2-CE2 4.08Å; V24-Y38 HydrophobicContact CG2-CD2 3.78Å; V24-Y38 HydrophobicContact CG2-CE2 3.65Å; V24-Y41 HydrophobicContact CB-CE1 4.45Å; V24-Y41 HydrophobicContact CG2-CD1 4.17Å; V24-Y41 HydrophobicContact CG2-CE1 4.09Å
25G88.9Confident91.6Very high10 Ų1068.3 Ų68.310%0.10338%0.376CS..THydrogen-bonded Turntrans55.3-137.8-171.100000109.9R21R21-G25 PolarHBondContact NH1-O 3.23Å; R21-G25 VanDerWaalsContact O-CA 3.29Å; R21-G25 WeakPolarHBondContact O-CA 3.46Å; R21-G25 PolarHBondContact O-N 3.09Å
26D87.6Confident91.8Very high70 Ų7069.5 Ų69.537%0.37438%0.378SS..THydrogen-bonded Turntrans-96.714.9-176.6-52.1-33.5000112.6R21 V24 D28 G29 K82R21-D26 IonicContact CZ-OD1 3.31Å; R21-D26 IonicContact NH1-OD1 3.63Å; R21-D26 PolarHBondContact NH1-OD1 3.17Å; R21-D26 IonicContact NH2-OD1 2.88Å; R21-D26 PolarHBondContact NH2-OD1 3Å; V24-D26 PolarHBondContact O-N 3.36Å; D26-D28 PolarHBondContact O-N 3.06Å; D26-G29 PolarHBondContact O-N 2.94Å; D26-K82 WeakPolarHBondContact OD2-CE 3.43Å
27D88.3Confident92Very high72 Ų7270.8 Ų70.839%0.38538%0.382SS..THydrogen-bonded Turntrans-73.8-12.7-177.1-72.6-8.3000113.6V24 G29 Y41 K102V24-D27 HydrophobicContact CG1-CB 4.42Å; V24-D27 WeakPolarHBondContact O-CB 3.26Å; V24-D27 PolarHBondContact O-N 3.33Å; D27-G29 PolarHBondContact O-N 2.83Å; D27-Y41 HydrophobicContact CB-CE2 4.08Å; D27-Y41 PolarHBondContact OD2-OH 2.67Å; D27-K102 IonicContact OD1-NZ 3.61Å
28D90.3Very high92.2Very high21 Ų2166.7 Ų66.711%0.11237%0.366CS..THydrogen-bonded Turntrans-80.9-0.6177.269.71.3000113.6Y20 V24 D26 G30 K31 F33Y20-D28 WeakPolarHBondContact CE1-OD2 3.5Å; Y20-D28 WeakPolarHBondContact OH-CB 3.44Å; Y20-D28 PolarHBondContact OH-OD2 2.85Å; V24-D28 HydrophobicContact CG1-CB 3.82Å; D26-D28 PolarHBondContact O-N 3.06Å; D28-G30 PolarHBondContact O-N 2.79Å; D28-G30 VanDerWaalsContact O-N 3.11Å; D28-G30 PolarHBondContact OD1-N 3.18Å; D28-K31 WeakPolarHBondContact CB-O 3.37Å; D28-K31 PolarHBondContact O-N 3.23Å; D28-F33 HydrophobicContact CB-CD1 4.12Å; D28-F33 HydrophobicContact CB-CE1 3.71Å; D28-F33 HydrophobicContact CB-CE2 4.42Å; D28-F33 HydrophobicContact CB-CZ 3.87Å
29G87.8Confident92.4Very high74 Ų7469.2 Ų69.276%0.76337%0.372SS*.THydrogen-bonded Turntrans61.421.3178.300000113.6D26 D27D26-G29 PolarHBondContact O-N 2.94Å; D27-G29 PolarHBondContact O-N 2.83Å
30G88.4Confident92.6Very high76 Ų7671.2 Ų71.278%0.78438%0.382SS*.THydrogen-bonded Turntrans85.34.9-177.400000114.7D28D28-G30 PolarHBondContact O-N 2.79Å; D28-G30 VanDerWaalsContact O-N 3.11Å; D28-G30 PolarHBondContact OD1-N 3.18Å
31K93.1Very high92.6Very high159 Ų15970.9 Ų70.969%0.69138%0.38SS*.SBendtrans-117115.3173.7-177-171.4173.1-164.20109.8D28 F33D28-K31 WeakPolarHBondContact CB-O 3.37Å; D28-K31 PolarHBondContact O-N 3.23Å; K31-F33 PolarHBondContact O-N 2.68Å
32L93.3Very high92.7Very high95 Ų9569.4 Ų69.450%0.49738%0.376SS..PPolyproline II helixtrans-55.1134.9179.2-60.4177.7000112.1Y17 Y20Y17-L32 HydrophobicContact CE2-CD1 4.4Å; Y17-L32 HydrophobicContact CE2-CD2 3.78Å; Y20-L32 HydrophobicContact CD1-CD2 4.19Å; Y20-L32 HydrophobicContact CE1-CD2 3.49Å; Y20-L32 VanDerWaalsContact CE1-CD2 3.49Å
33F95Very high92.9Very high51 Ų5171 Ų7122%0.22438%0.382CS..PPolyproline II helixtrans-63.9146.8171.5-64.4-24.7000111.3Y20 V24 D28 K31 E37 Y41Y20-F33 HydrophobicContact CE2-CB 4.07Å; Y20-F33 HydrophobicContact CE2-CD2 4.09Å; Y20-F33 HydrophobicContact CE2-CG 4.36Å; Y20-F33 PolarHBondContact OH-N 3.04Å; Y20-F33 VanDerWaalsContact OH-N 3.08Å; V24-F33 HydrophobicContact CG1-CD2 4.21Å; V24-F33 HydrophobicContact CG1-CE2 3.62Å; V24-F33 HydrophobicContact CG1-CZ 4.13Å; V24-F33 HydrophobicContact CG2-CD2 4.13Å; V24-F33 HydrophobicContact CG2-CE2 4.08Å; D28-F33 HydrophobicContact CB-CD1 4.12Å; D28-F33 HydrophobicContact CB-CE1 3.71Å; D28-F33 HydrophobicContact CB-CE2 4.42Å; D28-F33 HydrophobicContact CB-CZ 3.87Å; K31-F33 PolarHBondContact O-N 2.68Å; F33-E37 HydrophobicContact CB-CB 3.79Å; F33-E37 HydrophobicContact CD1-CB 4.36Å; F33-E37 HydrophobicContact CG-CB 4.09Å; F33-Y41 HydrophobicContact CD2-CG 4.45Å; F33-Y41 HydrophobicContact CE2-CD1 4.35Å; F33-Y41 AromaticContact CE2-CD2 3.63Å; F33-Y41 HydrophobicContact CE2-CD2 3.63Å; F33-Y41 HydrophobicContact CE2-CE2 4.21Å; F33-Y41 AromaticContact CE2-CG 3.73Å; F33-Y41 HydrophobicContact CE2-CG 3.73Å; F33-Y41 HydrophobicContact CZ-CD2 4.06Å; F33-Y41 HydrophobicContact CZ-CE2 4.49Å
34T94.3Very high92.8Very high62 Ų6278.5 Ų78.538%0.3841%0.41SS..PPolyproline II helixtrans-63.6159.5159.4580000110.3E36 E37 Y38T34-E36 PolarHBondContact O-N 3.31Å; T34-E37 WeakPolarHBondContact CB-OE2 3.39Å; T34-E37 WeakPolarHBondContact CG2-OE2 3.13Å; T34-E37 PolarHBondContact N-OE2 3.42Å; T34-E37 PolarHBondContact O-N 2.56Å; T34-E37 WeakPolarHBondContact OG1-CB 3.5Å; T34-E37 WeakPolarHBondContact OG1-CG 3.31Å; T34-E37 PolarHBondContact OG1-N 3.47Å; T34-E37 PolarHBondContact OG1-OE2 2.66Å; T34-Y38 WeakPolarHBondContact O-CB 3.45Å; T34-Y38 PolarHBondContact O-N 3.44Å
35P93.3Very high92.9Very high94 Ų9479 Ų7961%0.6141%0.413SS*.Hα-helixtrans-52.6-40.2175.1-27.436.3000112.9Y38 E39P35-Y38 PolarHBondContact O-N 3.4Å; P35-E39 WeakPolarHBondContact O-CG 3.45Å; P35-E39 PolarHBondContact O-N 3.35Å
36E94.9Very high93.1Very high135 Ų13580.5 Ų80.563%0.63142%0.419SS*.Hα-helixtrans-66.9-47.4179.8-62.771.7-154.900111.8T34 Y38 E39 E40T34-E36 PolarHBondContact O-N 3.31Å; E36-Y38 VanDerWaalsContact C-N 3.28Å; E36-Y38 PolarHBondContact O-N 2.76Å; E36-E39 PolarHBondContact O-N 3.16Å; E36-E40 PolarHBondContact O-N 3.08Å
37E95.8Very high93.4Very high87 Ų8781 Ų8141%0.40743%0.425SS..Hα-helixtrans-60.6-38.3175.2-75.5166.1149.200111.4F33 T34 E40 Y41F33-E37 HydrophobicContact CB-CB 3.79Å; F33-E37 HydrophobicContact CD1-CB 4.36Å; F33-E37 HydrophobicContact CG-CB 4.09Å; T34-E37 WeakPolarHBondContact CB-OE2 3.39Å; T34-E37 WeakPolarHBondContact CG2-OE2 3.13Å; T34-E37 PolarHBondContact N-OE2 3.42Å; T34-E37 PolarHBondContact O-N 2.56Å; T34-E37 WeakPolarHBondContact OG1-CB 3.5Å; T34-E37 WeakPolarHBondContact OG1-CG 3.31Å; T34-E37 PolarHBondContact OG1-N 3.47Å; T34-E37 PolarHBondContact OG1-OE2 2.66Å; E37-E40 PolarHBondContact O-N 2.84Å; E37-Y41 VanDerWaalsContact O-CB 3.26Å; E37-Y41 WeakPolarHBondContact O-CB 3.05Å; E37-Y41 PolarHBondContact O-N 3.47Å
38Y94.9Very high93.6Very high34 Ų3480.1 Ų80.113%0.13342%0.421CS..Hα-helixtrans-68-43.1178.8-179.7-131.7000112.6Y20 I23 V24 T34 P35 E36 Y41 K42Y20-Y38 HydrophobicContact CD2-CD1 4.48Å; Y20-Y38 AromaticContact CD2-CD2 3.76Å; Y20-Y38 HydrophobicContact CD2-CD2 3.76Å; Y20-Y38 HydrophobicContact CD2-CE1 4.48Å; Y20-Y38 AromaticContact CD2-CE2 3.79Å; Y20-Y38 HydrophobicContact CD2-CE2 3.79Å; Y20-Y38 HydrophobicContact CD2-CG 4.13Å; Y20-Y38 AromaticContact CE2-CD2 3.94Å; Y20-Y38 HydrophobicContact CE2-CD2 3.94Å; Y20-Y38 HydrophobicContact CE2-CE2 4.36Å; Y20-Y38 HydrophobicContact CE2-CG 4.33Å; I23-Y38 HydrophobicContact CB-CE2 4.42Å; I23-Y38 WeakPolarHBondContact CD1-OH 3.1Å; I23-Y38 HydrophobicContact CG2-CE2 4.08Å; V24-Y38 HydrophobicContact CG2-CD2 3.78Å; V24-Y38 HydrophobicContact CG2-CE2 3.65Å; T34-Y38 WeakPolarHBondContact O-CB 3.45Å; T34-Y38 PolarHBondContact O-N 3.44Å; P35-Y38 PolarHBondContact O-N 3.4Å; E36-Y38 VanDerWaalsContact C-N 3.28Å; E36-Y38 PolarHBondContact O-N 2.76Å; Y38-Y41 PolarHBondContact O-N 3.04Å; Y38-K42 HydrophobicContact CD2-CG 4.36Å; Y38-K42 HydrophobicContact CE1-CD 4.13Å; Y38-K42 HydrophobicContact CE2-CD 4.1Å; Y38-K42 HydrophobicContact CE2-CG 3.98Å; Y38-K42 WeakPolarHBondContact O-CG 3.41Å; Y38-K42 PolarHBondContact O-N 3.11Å
39E95.6Very high93.7Very high86 Ų8679.8 Ų79.840%0.40242%0.418SS..Hα-helixtrans-64.7-40.6175.1-70.8-54143.200112.1P35 E36 K42 R43P35-E39 WeakPolarHBondContact O-CG 3.45Å; P35-E39 PolarHBondContact O-N 3.35Å; E36-E39 PolarHBondContact O-N 3.16Å; E39-K42 PolarHBondContact O-N 3.4Å; E39-K42 VanDerWaalsContact OE1-CE 3.23Å; E39-K42 WeakPolarHBondContact OE1-CE 3.18Å; E39-K42 IonicContact OE1-NZ 2.67Å; E39-K42 PolarHBondContact OE1-NZ 2.77Å; E39-K42 WeakPolarHBondContact OE2-CE 3.44Å; E39-K42 IonicContact OE2-NZ 3.02Å; E39-K42 PolarHBondContact OE2-NZ 2.79Å; E39-R43 WeakPolarHBondContact O-CG 3.42Å; E39-R43 PolarHBondContact O-N 3.24Å
40E96.1Very high93.9Very high129 Ų12979.4 Ų79.460%0.60340%0.397SS*.Hα-helixtrans-63.1-45173.7-173.1175.3175.900112E36 E37 K42 R43 R44E36-E40 PolarHBondContact O-N 3.08Å; E37-E40 PolarHBondContact O-N 2.84Å; E40-K42 VanDerWaalsContact C-N 3.35Å; E40-K42 PolarHBondContact O-N 2.99Å; E40-R43 PolarHBondContact O-N 3.31Å; E40-R44 PolarHBondContact O-N 3.32Å; E40-R44 VanDerWaalsContact O-N 3.15Å
41Y95Very high94.1Very high10 Ų1083.6 Ų83.64%0.03939%0.393CS..Hα-helixtrans-56.3-49.3175.4-179.8-89.8000110.8I23 V24 D27 F33 E37 Y38 R43 R44 V45 R49I23-Y41 HydrophobicContact CG2-CE1 4.31Å; V24-Y41 HydrophobicContact CB-CE1 4.45Å; V24-Y41 HydrophobicContact CG2-CD1 4.17Å; V24-Y41 HydrophobicContact CG2-CE1 4.09Å; D27-Y41 HydrophobicContact CB-CE2 4.08Å; D27-Y41 PolarHBondContact OD2-OH 2.67Å; F33-Y41 HydrophobicContact CD2-CG 4.45Å; F33-Y41 HydrophobicContact CE2-CD1 4.35Å; F33-Y41 AromaticContact CE2-CD2 3.63Å; F33-Y41 HydrophobicContact CE2-CD2 3.63Å; F33-Y41 HydrophobicContact CE2-CE2 4.21Å; F33-Y41 AromaticContact CE2-CG 3.73Å; F33-Y41 HydrophobicContact CE2-CG 3.73Å; F33-Y41 HydrophobicContact CZ-CD2 4.06Å; F33-Y41 HydrophobicContact CZ-CE2 4.49Å; E37-Y41 VanDerWaalsContact O-CB 3.26Å; E37-Y41 WeakPolarHBondContact O-CB 3.05Å; E37-Y41 PolarHBondContact O-N 3.47Å; Y38-Y41 PolarHBondContact O-N 3.04Å; Y41-R43 PolarHBondContact O-N 3.03Å; Y41-R44 PolarHBondContact O-N 3.4Å; Y41-R44 VanDerWaalsContact O-N 3.16Å; Y41-V45 HydrophobicContact CD1-CG1 4.28Å; Y41-V45 HydrophobicContact CD1-CG2 3.78Å; Y41-V45 HydrophobicContact CD2-CG1 4.21Å; Y41-V45 HydrophobicContact CE1-CB 4.31Å; Y41-V45 HydrophobicContact CE1-CG1 3.94Å; Y41-V45 HydrophobicContact CE1-CG2 3.47Å; Y41-V45 VanDerWaalsContact CE1-CG2 3.47Å; Y41-V45 HydrophobicContact CE2-CG1 3.86Å; Y41-V45 HydrophobicContact CG-CG1 4.4Å; Y41-V45 WeakPolarHBondContact O-CG2 3.34Å; Y41-V45 PolarHBondContact O-N 3.05Å; Y41-R49 PolarHBondContact OH-NH2 3.42Å
42K95.5Very high94.1Very high44 Ų4476.8 Ų76.819%0.19137%0.365CS..Hα-helixtrans-58.3-46.7177-77.3-171.2-63.1174.50112.5I23 Y38 E39 E40 R44 V45 L46I23-K42 HydrophobicContact CG2-CG 4.17Å; Y38-K42 HydrophobicContact CD2-CG 4.36Å; Y38-K42 HydrophobicContact CE1-CD 4.13Å; Y38-K42 HydrophobicContact CE2-CD 4.1Å; Y38-K42 HydrophobicContact CE2-CG 3.98Å; Y38-K42 WeakPolarHBondContact O-CG 3.41Å; Y38-K42 PolarHBondContact O-N 3.11Å; E39-K42 PolarHBondContact O-N 3.4Å; E39-K42 VanDerWaalsContact OE1-CE 3.23Å; E39-K42 WeakPolarHBondContact OE1-CE 3.18Å; E39-K42 IonicContact OE1-NZ 2.67Å; E39-K42 PolarHBondContact OE1-NZ 2.77Å; E39-K42 WeakPolarHBondContact OE2-CE 3.44Å; E39-K42 IonicContact OE2-NZ 3.02Å; E39-K42 PolarHBondContact OE2-NZ 2.79Å; E40-K42 VanDerWaalsContact C-N 3.35Å; E40-K42 PolarHBondContact O-N 2.99Å; K42-R44 PolarHBondContact O-N 3.27Å; K42-V45 PolarHBondContact O-N 2.89Å; K42-L46 HydrophobicContact CB-CD1 3.87Å; K42-L46 HydrophobicContact CB-CG 4.14Å; K42-L46 HydrophobicContact CD-CD1 4.29Å; K42-L46 HydrophobicContact CG-CD1 4.11Å; K42-L46 HydrophobicContact CG-CG 4.44Å; K42-L46 VanDerWaalsContact O-CB 3.32Å; K42-L46 WeakPolarHBondContact O-CB 3.49Å; K42-L46 WeakPolarHBondContact O-CG 3.49Å; K42-L46 PolarHBondContact O-N 2.99Å
43R95.7Very high94.2Very high176 Ų17673.6 Ų73.666%0.66435%0.346SS*.Hα-helixtrans-56-35.8178.2-78-173.6-70.4-125.7-0.8112.3E39 E40 Y41 P47E39-R43 WeakPolarHBondContact O-CG 3.42Å; E39-R43 PolarHBondContact O-N 3.24Å; E40-R43 PolarHBondContact O-N 3.31Å; Y41-R43 PolarHBondContact O-N 3.03Å; R43-P47 WeakPolarHBondContact O-CD 3.49Å
44R93.3Very high94.3Very high163 Ų16371.3 Ų71.362%0.61534%0.336SS*.Hα-helixtrans-78.4-50.6178.6-173.9178.361.6156.4-0.7112.8E40 Y41 K42 L48E40-R44 PolarHBondContact O-N 3.32Å; E40-R44 VanDerWaalsContact O-N 3.15Å; Y41-R44 PolarHBondContact O-N 3.4Å; Y41-R44 VanDerWaalsContact O-N 3.16Å; K42-R44 PolarHBondContact O-N 3.27Å; R44-L48 WeakPolarHBondContact O-CD1 3.39Å
45V93.3Very high94.4Very high11 Ų1168.4 Ų68.47%0.06732%0.318CS..Hα-helixtrans-86.5-31.5-167.3-54.40000114Y41 K42 L48 R49Y41-V45 HydrophobicContact CD1-CG1 4.28Å; Y41-V45 HydrophobicContact CD1-CG2 3.78Å; Y41-V45 HydrophobicContact CD2-CG1 4.21Å; Y41-V45 HydrophobicContact CE1-CB 4.31Å; Y41-V45 HydrophobicContact CE1-CG1 3.94Å; Y41-V45 HydrophobicContact CE1-CG2 3.47Å; Y41-V45 VanDerWaalsContact CE1-CG2 3.47Å; Y41-V45 HydrophobicContact CE2-CG1 3.86Å; Y41-V45 HydrophobicContact CG-CG1 4.4Å; Y41-V45 WeakPolarHBondContact O-CG2 3.34Å; Y41-V45 PolarHBondContact O-N 3.05Å; K42-V45 PolarHBondContact O-N 2.89Å; V45-L48 WeakPolarHBondContact O-CB 3.38Å; V45-L48 PolarHBondContact O-N 2.79Å; V45-R49 WeakPolarHBondContact O-CG 3.36Å; V45-R49 PolarHBondContact O-N 2.78Å
46L93.6Very high94.6Very high42 Ų4263.9 Ų63.922%0.2229%0.289CS..Hα-helixtrans-64.2-47.6-173.5-62-174.8000112.5I23 K42 L48 R49 M50 P187I23-L46 HydrophobicContact CG2-CD2 4.42Å; K42-L46 HydrophobicContact CB-CD1 3.87Å; K42-L46 HydrophobicContact CB-CG 4.14Å; K42-L46 HydrophobicContact CD-CD1 4.29Å; K42-L46 HydrophobicContact CG-CD1 4.11Å; K42-L46 HydrophobicContact CG-CG 4.44Å; K42-L46 VanDerWaalsContact O-CB 3.32Å; K42-L46 WeakPolarHBondContact O-CB 3.49Å; K42-L46 WeakPolarHBondContact O-CG 3.49Å; K42-L46 PolarHBondContact O-N 2.99Å; L46-L48 VanDerWaalsContact C-N 3.26Å; L46-L48 PolarHBondContact O-N 2.75Å; L46-R49 PolarHBondContact O-N 3.06Å; L46-M50 VanDerWaalsContact O-CG 3.31Å; L46-M50 WeakPolarHBondContact O-CG 3.45Å; L46-M50 PolarHBondContact O-N 3.34Å; L46-P187 HydrophobicContact CD1-CB 4.36Å; L46-P187 HydrophobicContact CD2-CB 3.25Å; L46-P187 WeakPolarHBondContact CD2-O 3.48Å; L46-P187 HydrophobicContact CG-CB 4.4Å
47P93.7Very high94.7Very high79 Ų7957.5 Ų57.551%0.51326%0.259SS..Hα-helixtrans-59.9-38.3177.1-2334.9000112.5R43 M50 K51R43-P47 WeakPolarHBondContact O-CD 3.49Å; P47-M50 PolarHBondContact O-N 2.91Å; P47-K51 WeakPolarHBondContact O-CB 3.46Å; P47-K51 PolarHBondContact O-N 3.05Å; P47-K51 VanDerWaalsContact O-N 3.09Å
48L93Very high94.8Very high55 Ų5553.7 Ų53.729%0.28824%0.241SC..Hα-helixtrans-62.6-45176.5-68.1174.4000111.3R44 V45 L46 K51 N52 E89R44-L48 WeakPolarHBondContact O-CD1 3.39Å; V45-L48 WeakPolarHBondContact O-CB 3.38Å; V45-L48 PolarHBondContact O-N 2.79Å; L46-L48 VanDerWaalsContact C-N 3.26Å; L46-L48 PolarHBondContact O-N 2.75Å; L48-K51 PolarHBondContact O-N 3.41Å; L48-N52 WeakPolarHBondContact O-CA 3.27Å; L48-N52 WeakPolarHBondContact O-CB 3.5Å; L48-N52 PolarHBondContact O-N 3.13Å; L48-E89 HydrophobicContact CD1-CG 4.15Å; L48-E89 HydrophobicContact CD2-CG 4.47Å
49R92.7Very high94.8Very high14 Ų1452 Ų525%0.05324%0.235CC..Hα-helixtrans-62.8-43.7176.6-73.3176.7-178.1161.66.1112.2I23 Y41 V45 L46 K51 R53 E87 P187I23-R49 PolarHBondContact O-NH1 3.17Å; I23-R49 PolarHBondContact O-NH2 3.35Å; Y41-R49 PolarHBondContact OH-NH2 3.42Å; V45-R49 WeakPolarHBondContact O-CG 3.36Å; V45-R49 PolarHBondContact O-N 2.78Å; L46-R49 PolarHBondContact O-N 3.06Å; R49-K51 VanDerWaalsContact C-N 3.27Å; R49-K51 PolarHBondContact O-N 2.99Å; R49-R53 WeakPolarHBondContact O-CB 3.41Å; R49-R53 PolarHBondContact O-N 3.23Å; R49-E87 WeakPolarHBondContact CD-OE1 3.49Å; R49-E87 WeakPolarHBondContact CG-OE1 3.49Å; R49-E87 IonicContact CZ-OE1 3.73Å; R49-E87 IonicContact CZ-OE2 2.74Å; R49-E87 IonicContact NE-OE1 3.46Å; R49-E87 PolarHBondContact NE-OE1 3.06Å; R49-E87 IonicContact NE-OE2 2.7Å; R49-E87 IonicContact NH2-OE1 3.99Å; R49-E87 IonicContact NH2-OE2 3.2Å; R49-E87 PolarHBondContact NH2-OE2 2.81Å; R49-P187 WeakPolarHBondContact CD-O 3.35Å; R49-P187 PolarHBondContact NH1-O 3.08Å
50M91.3Very high94.7Very high66 Ų6649.5 Ų49.533%0.32523%0.225SC..Hα-helixtrans-63.2-36.6179.1-58.8-47.6156.700112L46 P47 D185 V186 P187L46-M50 VanDerWaalsContact O-CG 3.31Å; L46-M50 WeakPolarHBondContact O-CG 3.45Å; L46-M50 PolarHBondContact O-N 3.34Å; P47-M50 PolarHBondContact O-N 2.91Å; M50-D185 HydrophobicContact SD-CB 3.57Å; M50-D185 VanDerWaalsContact SD-CB 3.57Å; M50-V186 VanDerWaalsContact CE-C 3.47Å; M50-V186 WeakPolarHBondContact CE-O 3.5Å; M50-P187 HydrophobicContact CE-CB 4.19Å
51K92.3Very high94.3Very high163 Ų16346.2 Ų46.271%0.70922%0.215SC*.Hα-helixtrans-82.1-47-177.9-169.7-174.9175.1-179.70113.1P47 L48 R49P47-K51 WeakPolarHBondContact O-CB 3.46Å; P47-K51 PolarHBondContact O-N 3.05Å; P47-K51 VanDerWaalsContact O-N 3.09Å; L48-K51 PolarHBondContact O-N 3.41Å; R49-K51 VanDerWaalsContact C-N 3.27Å; R49-K51 PolarHBondContact O-N 2.99Å
52N94.6Very high93.9Very high17 Ų1749.6 Ų49.69%0.09125%0.253CS..Hα-helixtrans-113.614.8-165-64.2-14.7000113.6L48 L54 F88 E89 I91L48-N52 WeakPolarHBondContact O-CA 3.27Å; L48-N52 WeakPolarHBondContact O-CB 3.5Å; L48-N52 PolarHBondContact O-N 3.13Å; N52-L54 PolarHBondContact O-N 2.88Å; N52-F88 WeakPolarHBondContact CB-O 3.29Å; N52-F88 PolarHBondContact ND2-O 2.89Å; N52-E89 PolarHBondContact ND2-O 2.74Å; N52-I91 HydrophobicContact CB-CD1 3.86Å; N52-I91 HydrophobicContact CB-CG1 3.98Å
53R95.1Very high93.5Very high27 Ų2749 Ų4910%0.10226%0.259CS..  trans-50.4129.4173.8171.9176.1178.7-179.52.5110.8R49 Y55 G192 L194R49-R53 WeakPolarHBondContact O-CB 3.41Å; R49-R53 PolarHBondContact O-N 3.23Å; R53-Y55 HydrophobicContact CG-CE2 4.12Å; R53-G192 PolarHBondContact NE-O 3.34Å; R53-G192 PolarHBondContact NH2-O 3.32Å; R53-L194 PolarHBondContact NH2-O 2.76Å
54L96.8Very high93.2Very high4 Ų443 Ų432%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-92138.4169.9-59.6-179.5000110.5N52 V56 F88 I97 L99 V169 E170 T171 G192N52-L54 PolarHBondContact O-N 2.88Å; L54-V56 HydrophobicContact CB-CG2 4.43Å; L54-F88 HydrophobicContact CD1-CD2 3.78Å; L54-F88 HydrophobicContact CD1-CE2 3.6Å; L54-I97 HydrophobicContact CD1-CG2 4.19Å; L54-I97 HydrophobicContact CD2-CD1 3.81Å; L54-L99 HydrophobicContact CD1-CD2 3.64Å; L54-V169 HydrophobicContact CB-CG1 4.35Å; L54-V169 HydrophobicContact CD1-CG1 3.94Å; L54-E170 CarbonylContact C-O 3.58Å; L54-E170 WeakPolarHBondContact CA-O 3.49Å; L54-T171 HydrophobicContact CD2-CG2 4.45Å; L54-G192 CarbonylContact O-C 3.52Å; L54-G192 WeakPolarHBondContact O-CA 3.31Å
55Y96.6Very high93.2Very high0 Ų036 Ų360%021%0.214CC..EExtended strand (participates in β ladder)trans-104.8119.1173.3-64.7-94.7000108.3R53 E170 K172 R175 V182 T195R53-Y55 HydrophobicContact CG-CE2 4.12Å; Y55-E170 PolarHBondContact N-O 3.16Å; Y55-E170 PolarHBondContact O-N 3.32Å; Y55-K172 HydrophobicContact CE2-CB 3.79Å; Y55-K172 HydrophobicContact CE2-CG 4.05Å; Y55-R175 HydrophobicContact CD2-CB 4.48Å; Y55-R175 HydrophobicContact CG-CG 4.48Å; Y55-V182 HydrophobicContact CE1-CB 4.02Å; Y55-V182 HydrophobicContact CE1-CG1 4.28Å; Y55-V182 VanDerWaalsContact CE1-O 3.28Å; Y55-V182 WeakPolarHBondContact CE1-O 3.41Å; Y55-V182 HydrophobicContact CE2-CG1 4.41Å; Y55-V182 WeakPolarHBondContact OH-CB 3.5Å; Y55-V182 PolarHBondContact OH-O 3.21Å; Y55-V182 VanDerWaalsContact OH-O 3.06Å; Y55-T195 HydrophobicContact CD1-CG2 4.16Å; Y55-T195 HydrophobicContact CE1-CG2 3.91Å
56V97.6Very high93.2Very high0 Ų035.8 Ų35.80%021%0.214CC..EExtended strand (participates in β ladder)trans-120.3126-173.2-172.50000109.4L54 I69 Y81 L99 Y111 T167 L168 V169 G193L54-V56 HydrophobicContact CB-CG2 4.43Å; V56-I69 HydrophobicContact CB-CB 3.96Å; V56-I69 HydrophobicContact CB-CG1 4.38Å; V56-I69 HydrophobicContact CB-CG2 4.36Å; V56-I69 HydrophobicContact CG1-CB 3.83Å; V56-I69 HydrophobicContact CG1-CG1 3.8Å; V56-I69 HydrophobicContact CG1-CG2 4.1Å; V56-I69 WeakPolarHBondContact O-CB 3.45Å; V56-I69 PolarHBondContact O-N 2.89Å; V56-Y81 HydrophobicContact CB-CE2 4.16Å; V56-Y81 HydrophobicContact CG1-CE2 4.24Å; V56-Y81 HydrophobicContact CG2-CE2 3.82Å; V56-Y81 WeakPolarHBondContact CG2-OH 3.4Å; V56-L99 HydrophobicContact CG2-CD1 3.98Å; V56-Y111 HydrophobicContact CG1-CD1 4.39Å; V56-T167 HydrophobicContact CG1-CG2 3.67Å; V56-L168 VanDerWaalsContact CA-O 3.29Å; V56-L168 WeakPolarHBondContact CA-O 3.34Å; V56-L168 WeakPolarHBondContact CG1-O 3.29Å; V56-V169 HydrophobicContact CG1-CG2 4.25Å; V56-V169 HydrophobicContact CG2-CG1 4.15Å; V56-V169 HydrophobicContact CG2-CG2 4.26Å; V56-G193 WeakPolarHBondContact O-CA 3.24Å; V56-G193 PolarHBondContact O-N 2.86Å
57S97.1Very high93.3Very high0 Ų036.2 Ų36.20%021%0.214CC..EExtended strand (participates in β ladder)trans-136.3166.1179.472.70000110.4D65 K67 T167 L168S57-D65 WeakPolarHBondContact CB-OD1 3.47Å; S57-D65 VanDerWaalsContact OG-CG 3.25Å; S57-D65 PolarHBondContact OG-OD1 3.13Å; S57-K67 CarbonylContact C-O 3.47Å; S57-K67 WeakPolarHBondContact CA-O 3.34Å; S57-T167 CarbonylContact O-C 3.5Å; S57-T167 VanDerWaalsContact O-CA 3.3Å; S57-T167 WeakPolarHBondContact O-CA 3.34Å; S57-L168 PolarHBondContact N-O 3.22Å; S57-L168 PolarHBondContact O-N 3.09Å
58F96.6Very high93.5Very high7 Ų733.2 Ų33.23%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-122124.2169.5176.2-98.6000108.1C66 K67 I69 Y113 P115 T162 H165 R166F58-C66 CarbonylContact O-C 3.48Å; F58-C66 WeakPolarHBondContact O-CA 3.48Å; F58-C66 WeakPolarHBondContact O-CB 3.49Å; F58-C66 PolarHBondContact O-N 2.85Å; F58-K67 HydrophobicContact CB-CB 4.22Å; F58-K67 PolarHBondContact N-O 2.94Å; F58-K67 PolarHBondContact O-N 3.09Å; F58-I69 HydrophobicContact CB-CD1 4.45Å; F58-Y113 HydrophobicContact CB-CD1 3.64Å; F58-Y113 HydrophobicContact CB-CE1 4.36Å; F58-Y113 HydrophobicContact CB-CG 4.23Å; F58-Y113 AromaticContact CD1-CD1 3.66Å; F58-Y113 HydrophobicContact CD1-CD1 3.66Å; F58-Y113 AromaticContact CD1-CE1 3.91Å; F58-Y113 HydrophobicContact CD1-CE1 3.91Å; F58-Y113 AromaticContact CD2-CD1 3.72Å; F58-Y113 HydrophobicContact CD2-CD1 3.72Å; F58-Y113 HydrophobicContact CD2-CG 4.42Å; F58-Y113 HydrophobicContact CE1-CD1 4.15Å; F58-Y113 HydrophobicContact CE1-CE1 4.32Å; F58-Y113 HydrophobicContact CE2-CD1 4.18Å; F58-Y113 AromaticContact CG-CD1 3.4Å; F58-Y113 HydrophobicContact CG-CD1 3.4Å; F58-Y113 VanDerWaalsContact CG-CD1 3.4Å; F58-Y113 HydrophobicContact CG-CE1 4.11Å; F58-Y113 HydrophobicContact CG-CG 4.31Å; F58-Y113 HydrophobicContact CZ-CD1 4.36Å; F58-P115 HydrophobicContact CE1-CG 3.7Å; F58-P115 HydrophobicContact CZ-CG 3.86Å; F58-T162 HydrophobicContact CZ-CG2 3.98Å; F58-H165 HydrophobicContact CD1-CB 4.13Å; F58-H165 AromaticContact CD1-CD2 3.8Å; F58-H165 HydrophobicContact CD2-CB 4.11Å; F58-H165 HydrophobicContact CE1-CB 3.47Å; F58-H165 VanDerWaalsContact CE1-CB 3.47Å; F58-H165 AromaticContact CE1-CD2 3.42Å; F58-H165 VanDerWaalsContact CE1-CD2 3.42Å; F58-H165 WeakPolarHBondContact CE1-CD2 3.41Å; F58-H165 AromaticContact CE1-CG 3.57Å; F58-H165 HydrophobicContact CE2-CB 3.46Å; F58-H165 VanDerWaalsContact CE2-CB 3.46Å; F58-H165 HydrophobicContact CG-CB 4.43Å; F58-H165 HydrophobicContact CZ-CB 3.11Å; F58-H165 AromaticContact CZ-CG 3.71Å; F58-R166 WeakPolarHBondContact CA-O 3.42Å
59G95.3Very high93.6Very high0 Ų030.6 Ų30.60%018%0.179CC..EExtended strand (participates in β ladder)trans-170.7172.9-17200000111.3H165 R166G59-H165 CarbonylContact O-C 3.5Å; G59-H165 VanDerWaalsContact O-CA 3.27Å; G59-H165 WeakPolarHBondContact O-CA 3.44Å; G59-R166 PolarHBondContact N-O 3.48Å; G59-R166 VanDerWaalsContact N-O 3.15Å; G59-R166 PolarHBondContact O-N 2.94Å
60V92.8Very high93.8Very high32 Ų3230 Ų3019%0.19418%0.178CC..  trans-76.8127.8168.8-179.90000107.6G62 G63 R160 E164V60-G62 PolarHBondContact O-N 3.2Å; V60-G63 WeakPolarHBondContact O-CA 3.31Å; V60-G63 PolarHBondContact O-N 2.94Å; V60-R160 HydrophobicContact CG2-CB 4.02Å; V60-R160 HydrophobicContact CG2-CG 4.15Å; V60-E164 HydrophobicContact CG2-CB 4.49Å
61P89.2Confident93.9Very high61 Ų6128.2 Ų28.240%0.39617%0.171SC..THydrogen-bonded Turntrans-52.5130.4177-27.235.1000112G63 R166 L168P61-G63 PolarHBondContact O-N 3Å; P61-R166 HydrophobicContact CG-CB 4.31Å; P61-R166 HydrophobicContact CG-CG 4.01Å; P61-L168 HydrophobicContact CG-CD2 4.48Å
62G85.8Confident94Very high81 Ų8125.3 Ų25.384%0.83516%0.16SC*.THydrogen-bonded Turntrans76.9-6-174.400000115.1V60V60-G62 PolarHBondContact O-N 3.2Å
63G87.7Confident94Very high31 Ų3125.8 Ų25.832%0.3216%0.164SC..SBendtrans-101.4-157.8174.100000113.2V60 P61 R178V60-G63 WeakPolarHBondContact O-CA 3.31Å; V60-G63 PolarHBondContact O-N 2.94Å; P61-G63 PolarHBondContact O-N 3Å; G63-R178 PolarHBondContact O-NH1 3.35Å
64I88.9Confident94.1Very high51 Ų5126.1 Ų26.126%0.26217%0.166SC..  trans-76.8151.6-179.568.5172.2000112.1C66 C158 M207I64-C66 PolarHBondContact O-N 3.32Å; I64-C66 VanDerWaalsContact O-N 3.11Å; I64-C158 HydrophobicContact CD1-CB 4.11Å; I64-M207 HydrophobicContact CB-CG 4.4Å; I64-M207 HydrophobicContact CD1-CG 4.34Å; I64-M207 HydrophobicContact CG2-CE 4.21Å; I64-M207 HydrophobicContact CG2-CG 3.93Å; I64-M207 HydrophobicContact CG2-SD 3.98Å
65D93.6Very high94.1Very high14 Ų1426 Ų268%0.07517%0.166CC..EExtended strand (participates in β ladder)trans-73.297.6167.1-73.1-13000108.8S57 K67 Q68 R175 R178 G203S57-D65 WeakPolarHBondContact CB-OD1 3.47Å; S57-D65 VanDerWaalsContact OG-CG 3.25Å; S57-D65 PolarHBondContact OG-OD1 3.13Å; D65-K67 VanDerWaalsContact C-N 3.32Å; D65-K67 PolarHBondContact O-N 3.01Å; D65-Q68 PolarHBondContact OD2-OE1 2.9Å; D65-R175 IonicContact OD2-CZ 2.79Å; D65-R175 VanDerWaalsContact OD2-CZ 3.3Å; D65-R175 IonicContact OD2-NH1 3.96Å; D65-R175 PolarHBondContact OD2-NH1 2.67Å; D65-R175 IonicContact OD2-NH2 3.35Å; D65-R175 PolarHBondContact OD2-NH2 3.32Å; D65-R178 IonicContact OD1-CZ 3.16Å; D65-R178 VanDerWaalsContact OD1-CZ 3.31Å; D65-R178 IonicContact OD1-NH1 3.21Å; D65-R178 PolarHBondContact OD1-NH1 3.45Å; D65-R178 IonicContact OD1-NH2 2.91Å; D65-R178 PolarHBondContact OD1-NH2 3.14Å; D65-R178 IonicContact OD2-NH2 2.79Å; D65-R178 PolarHBondContact OD2-NH2 3.33Å; D65-G203 WeakPolarHBondContact O-CA 3.23Å
66C94.3Very high94.1Very high8 Ų826.4 Ų26.45%0.05417%0.168CC..EExtended strand (participates in β ladder)trans-70.1-28.9-177.8-63.40000112.7F58 I64 H165 G203F58-C66 CarbonylContact O-C 3.48Å; F58-C66 WeakPolarHBondContact O-CA 3.48Å; F58-C66 WeakPolarHBondContact O-CB 3.49Å; F58-C66 PolarHBondContact O-N 2.85Å; I64-C66 PolarHBondContact O-N 3.32Å; I64-C66 VanDerWaalsContact O-N 3.11Å; C66-H165 PolarHBondContact SG-NE2 3.43Å; C66-H165 VanDerWaalsContact SG-NE2 3.38Å; C66-G203 PolarHBondContact O-N 2.8Å
67K95.3Very high94Very high50 Ų5026.9 Ų26.922%0.21717%0.171CC..EExtended strand (participates in β ladder)trans-146129.1172-176.262.2171.1-174.30110.8S57 F58 D65 I69 Y113 D202S57-K67 CarbonylContact C-O 3.47Å; S57-K67 WeakPolarHBondContact CA-O 3.34Å; F58-K67 HydrophobicContact CB-CB 4.22Å; F58-K67 PolarHBondContact N-O 2.94Å; F58-K67 PolarHBondContact O-N 3.09Å; D65-K67 VanDerWaalsContact C-N 3.32Å; D65-K67 PolarHBondContact O-N 3.01Å; K67-I69 HydrophobicContact CG-CD1 4.33Å; K67-Y113 HydrophobicContact CB-CE1 4.15Å; K67-Y113 HydrophobicContact CG-CE1 4.11Å; K67-Y113 HydrophobicContact CG-CE2 4.37Å; K67-D202 IonicContact NZ-OD1 3.08Å
68Q96.3Very high93.9Very high16 Ų1630.8 Ų30.88%0.07519%0.189CC..EExtended strand (participates in β ladder)trans-83136.9168.8-60.1-71.175.700109.9D65 G193 L194 S199D65-Q68 PolarHBondContact OD2-OE1 2.9Å; Q68-G193 PolarHBondContact NE2-O 3.37Å; Q68-L194 HydrophobicContact CB-CD2 4.31Å; Q68-S199 WeakPolarHBondContact CB-O 3.23Å; Q68-S199 WeakPolarHBondContact CG-O 3.42Å
69I97.1Very high93.9Very high0 Ų032.8 Ų32.80%020%0.199CC..  trans-95.7125.7-178.6-55.9-53.4000108.8V56 F58 K67 T73 Y81 Y111 Y113 G192 G193V56-I69 HydrophobicContact CB-CB 3.96Å; V56-I69 HydrophobicContact CB-CG1 4.38Å; V56-I69 HydrophobicContact CB-CG2 4.36Å; V56-I69 HydrophobicContact CG1-CB 3.83Å; V56-I69 HydrophobicContact CG1-CG1 3.8Å; V56-I69 HydrophobicContact CG1-CG2 4.1Å; V56-I69 WeakPolarHBondContact O-CB 3.45Å; V56-I69 PolarHBondContact O-N 2.89Å; F58-I69 HydrophobicContact CB-CD1 4.45Å; K67-I69 HydrophobicContact CG-CD1 4.33Å; I69-T73 HydrophobicContact CD1-CG2 3.84Å; I69-T73 HydrophobicContact CG2-CG2 4.48Å; I69-Y81 HydrophobicContact CG2-CD1 4.23Å; I69-Y81 HydrophobicContact CG2-CD2 3.65Å; I69-Y81 HydrophobicContact CG2-CE2 4.19Å; I69-Y81 HydrophobicContact CG2-CG 3.68Å; I69-Y111 HydrophobicContact CB-CE1 4.41Å; I69-Y111 HydrophobicContact CD1-CE1 4.2Å; I69-Y111 HydrophobicContact CG1-CE1 4.03Å; I69-Y111 HydrophobicContact CG2-CD1 4.48Å; I69-Y111 HydrophobicContact CG2-CE1 3.57Å; I69-Y111 HydrophobicContact CG2-CE2 4.4Å; I69-Y111 WeakPolarHBondContact CG2-OH 3.38Å; I69-Y113 HydrophobicContact CD1-CD1 4.44Å; I69-Y113 HydrophobicContact CD1-CD2 3.72Å; I69-Y113 HydrophobicContact CD1-CE2 4.41Å; I69-Y113 HydrophobicContact CD1-CG 3.72Å; I69-G192 CarbonylContact O-C 3.55Å; I69-G192 WeakPolarHBondContact O-CA 3.25Å; I69-G193 PolarHBondContact O-N 3.03Å
70G95.5Very high94Very high3 Ų337.4 Ų37.43%0.03122%0.216CC..  trans-120.8179.1176.100000112.5E72 T73 Y81G70-E72 PolarHBondContact O-N 2.82Å; G70-E72 VanDerWaalsContact O-N 3.12Å; G70-T73 PolarHBondContact N-OG1 2.9Å; G70-T73 WeakPolarHBondContact O-CB 3.3Å; G70-T73 PolarHBondContact O-N 2.83Å; G70-T73 PolarHBondContact O-OG1 3.35Å; G70-Y81 WeakPolarHBondContact O-CB 3.29Å
71P94.8Very high94.2Very high28 Ų2836 Ų3618%0.18221%0.207CC..THydrogen-bonded Turntrans-52-41-173-25.529.8000114Y81 K82 A190P71-Y81 PolarHBondContact O-N 3.39Å; P71-K82 HydrophobicContact CB-CB 4.19Å; P71-K82 HydrophobicContact CB-CD 4.46Å; P71-K82 PolarHBondContact O-N 2.88Å; P71-K82 VanDerWaalsContact O-N 3.07Å; P71-A190 WeakPolarHBondContact CD-O 3.47Å; P71-A190 VanDerWaalsContact CG-O 3.29Å; P71-A190 WeakPolarHBondContact CG-O 3.43Å
72E93.4Very high94.5Very high101 Ų10135.2 Ų35.247%0.47220%0.198SC..THydrogen-bonded Turntrans-922.7-176.7-59.8-55.3146.600113.7G70 Q74 R80 K82G70-E72 PolarHBondContact O-N 2.82Å; G70-E72 VanDerWaalsContact O-N 3.12Å; E72-Q74 PolarHBondContact O-N 3.12Å; E72-R80 WeakPolarHBondContact O-CD 3.5Å; E72-R80 PolarHBondContact O-NH1 2.94Å; E72-R80 IonicContact OE2-NE 3.39Å; E72-K82 WeakPolarHBondContact OE1-CE 3.34Å; E72-K82 IonicContact OE1-NZ 2.8Å; E72-K82 PolarHBondContact OE1-NZ 2.66Å; E72-K82 IonicContact OE2-NZ 3.61Å
73T95.6Very high95Very high28 Ų2834 Ų3417%0.17217%0.17CC..PPolyproline II helixtrans-73.5126.4178.6-49.20000110.2I69 G70 Y81 Y111 Y113I69-T73 HydrophobicContact CD1-CG2 3.84Å; I69-T73 HydrophobicContact CG2-CG2 4.48Å; G70-T73 PolarHBondContact N-OG1 2.9Å; G70-T73 WeakPolarHBondContact O-CB 3.3Å; G70-T73 PolarHBondContact O-N 2.83Å; G70-T73 PolarHBondContact O-OG1 3.35Å; T73-Y81 PolarHBondContact O-N 3.46Å; T73-Y111 WeakPolarHBondContact CG2-OH 3.38Å; T73-Y111 PolarHBondContact O-OH 3.2Å; T73-Y113 HydrophobicContact CG2-CD2 3.59Å; T73-Y113 HydrophobicContact CG2-CE2 3.58Å
74Q96Very high95.4Very high33 Ų3332.6 Ų32.615%0.15416%0.155CC..BIsolated β-bridgetrans-75.8138.1-175-161.6177.937.600112E72 E78 Y111E72-Q74 PolarHBondContact O-N 3.12Å; Q74-E78 WeakPolarHBondContact CG-O 3.4Å; Q74-E78 PolarHBondContact NE2-O 2.82Å; Q74-Y111 PolarHBondContact O-OH 3.41Å
75C96.9Very high95.7Very high3 Ų333.9 Ų33.92%0.0216%0.16CC..BIsolated β-bridgetrans-84.9164.6171.3-174.20000110.8C77 E78 H79 H84 Y111 N112C75-C77 PolarHBondContact O-N 3.25Å; C75-E78 WeakPolarHBondContact O-CA 3.47Å; C75-E78 PolarHBondContact O-N 3.34Å; C75-H79 WeakPolarHBondContact CB-O 3.26Å; C75-H79 PolarHBondContact N-O 3.33Å; C75-H84 VanDerWaalsContact CB-CE1 3.49Å; C75-H84 WeakPolarHBondContact CB-CE1 3.47Å; C75-H84 PolarHBondContact SG-NE2 2.73Å; C75-H84 VanDerWaalsContact SG-NE2 3.41Å; C75-Y111 HydrophobicContact CB-CD2 3.61Å; C75-Y111 HydrophobicContact CB-CE2 3.6Å; C75-N112 CarbonylContact C-O 3.44Å; C75-N112 WeakPolarHBondContact CA-O 3.31Å; C75-N112 PolarHBondContact SG-N 3.46Å
76F96.3Very high95.8Very high7 Ų733.8 Ų33.83%0.03116%0.16CC..THydrogen-bonded Turntrans-48.1-38.9167.3-169.2-81.8000113.3E78 N112 I114 P130 H133 S134 H139 F150F76-E78 PolarHBondContact O-N 3.44Å; F76-E78 VanDerWaalsContact O-N 3.15Å; F76-N112 HydrophobicContact CB-CB 4.17Å; F76-N112 PolarHBondContact N-O 3.25Å; F76-I114 HydrophobicContact CB-CG1 4.3Å; F76-I114 HydrophobicContact CD2-CD1 3.7Å; F76-I114 HydrophobicContact CD2-CG1 3.43Å; F76-I114 VanDerWaalsContact CD2-CG1 3.43Å; F76-I114 HydrophobicContact CE2-CD1 4.23Å; F76-I114 HydrophobicContact CE2-CG1 4.15Å; F76-I114 HydrophobicContact CG-CG1 4.33Å; F76-P130 HydrophobicContact CD2-CB 4.39Å; F76-P130 HydrophobicContact CE2-CB 3.98Å; F76-P130 HydrophobicContact CZ-CB 4.26Å; F76-H133 HydrophobicContact CE1-CB 4.14Å; F76-H133 HydrophobicContact CZ-CB 3.74Å; F76-S134 WeakPolarHBondContact CE1-O 3.34Å; F76-H139 AromaticContact CD1-CE1 3.74Å; F76-H139 AromaticContact CD1-ND1 3.56Å; F76-H139 HydrophobicContact CE1-CB 4.22Å; F76-H139 AromaticContact CE1-CG 3.91Å; F76-H139 AromaticContact CE1-ND1 3.4Å; F76-H139 WeakPolarHBondContact CE1-ND1 3.4Å; F76-H139 HydrophobicContact CE2-CB 4.45Å; F76-H139 AromaticContact CG-CE1 3.96Å; F76-H139 HydrophobicContact CZ-CB 3.87Å; F76-H139 AromaticContact CZ-CG 3.84Å; F76-H139 AromaticContact CZ-ND1 3.82Å; F76-F150 HydrophobicContact CE2-CB 3.63Å; F76-F150 AromaticContact CE2-CD1 3.81Å; F76-F150 HydrophobicContact CE2-CD1 3.81Å; F76-F150 AromaticContact CE2-CD2 3.92Å; F76-F150 HydrophobicContact CE2-CD2 3.92Å; F76-F150 HydrophobicContact CE2-CE1 4.46Å; F76-F150 AromaticContact CE2-CG 3.51Å; F76-F150 HydrophobicContact CE2-CG 3.51Å; F76-F150 HydrophobicContact CZ-CB 3.78Å; F76-F150 HydrophobicContact CZ-CD2 4.26Å; F76-F150 HydrophobicContact CZ-CG 4.03Å
77C96.6Very high95.7Very high11 Ų1136.3 Ų36.37%0.07417%0.171CC..THydrogen-bonded Turntrans-77.311.7178.871.50000113.8C75 H79 C108 E135C75-C77 PolarHBondContact O-N 3.25Å; C77-H79 PolarHBondContact O-N 3.35Å; C77-H79 PolarHBondContact O-ND1 3.11Å; C77-H79 VanDerWaalsContact O-ND1 3.11Å; C77-C108 HydrophobicContact CB-CB 3.58Å; C77-E135 HydrophobicContact CB-CB 3.76Å
78E95.1Very high95.7Very high81 Ų8135 Ų3538%0.37917%0.166SC..SBendtrans70.2-7.7179-52.7-176.3-133.900115.6Q74 C75 F76 Q131Q74-E78 WeakPolarHBondContact CG-O 3.4Å; Q74-E78 PolarHBondContact NE2-O 2.82Å; C75-E78 WeakPolarHBondContact O-CA 3.47Å; C75-E78 PolarHBondContact O-N 3.34Å; F76-E78 PolarHBondContact O-N 3.44Å; F76-E78 VanDerWaalsContact O-N 3.15Å; E78-Q131 HydrophobicContact CG-CG 4.29Å; E78-Q131 VanDerWaalsContact OE1-CB 3.3Å; E78-Q131 WeakPolarHBondContact OE1-CB 3.43Å; E78-Q131 VanDerWaalsContact OE1-CG 3.22Å; E78-Q131 WeakPolarHBondContact OE1-CG 3.36Å; E78-Q131 PolarHBondContact OE2-NE2 2.86Å
79H96.4Very high95.5Very high50 Ų5041.5 Ų41.523%0.23120%0.196CC..  trans-82.5157.1173.4-59.5108.2000112.6C75 C77 Q83 V103C75-H79 WeakPolarHBondContact CB-O 3.26Å; C75-H79 PolarHBondContact N-O 3.33Å; C77-H79 PolarHBondContact O-N 3.35Å; C77-H79 PolarHBondContact O-ND1 3.11Å; C77-H79 VanDerWaalsContact O-ND1 3.11Å; H79-Q83 HydrophobicContact CB-CB 4.36Å; H79-V103 HydrophobicContact CB-CG2 4.33Å
80R96.4Very high95.4Very high97 Ų9747.3 Ų47.337%0.36623%0.231SC..BIsolated β-bridgetrans-78.2154.5-179.2-56.5-66.9-179.1-178-3.6111.3E72 K82 Q83 H84E72-R80 WeakPolarHBondContact O-CD 3.5Å; E72-R80 PolarHBondContact O-NH1 2.94Å; E72-R80 IonicContact OE2-NE 3.39Å; R80-K82 HydrophobicContact CB-CG 4.07Å; R80-K82 PolarHBondContact O-N 3.36Å; R80-Q83 HydrophobicContact CB-CG 4.3Å; R80-Q83 WeakPolarHBondContact O-CB 3.3Å; R80-Q83 PolarHBondContact O-N 3.31Å; R80-H84 PolarHBondContact O-CE1 2.93Å; R80-H84 PolarHBondContact O-ND1 3.29Å
81Y97.4Very high95.4Very high2 Ų249.1 Ų49.11%0.00824%0.24CC..G310 helixtrans-52.8-41.9176.3177.9-112.4000112.4V56 I69 G70 P71 T73 Q83 H84 T86 L99 Y111 A190V56-Y81 HydrophobicContact CB-CE2 4.16Å; V56-Y81 HydrophobicContact CG1-CE2 4.24Å; V56-Y81 HydrophobicContact CG2-CE2 3.82Å; V56-Y81 WeakPolarHBondContact CG2-OH 3.4Å; I69-Y81 HydrophobicContact CG2-CD1 4.23Å; I69-Y81 HydrophobicContact CG2-CD2 3.65Å; I69-Y81 HydrophobicContact CG2-CE2 4.19Å; I69-Y81 HydrophobicContact CG2-CG 3.68Å; G70-Y81 WeakPolarHBondContact O-CB 3.29Å; P71-Y81 PolarHBondContact O-N 3.39Å; T73-Y81 PolarHBondContact O-N 3.46Å; Y81-Q83 PolarHBondContact O-N 3.24Å; Y81-Q83 VanDerWaalsContact O-N 3.09Å; Y81-H84 WeakPolarHBondContact O-CB 3.49Å; Y81-H84 PolarHBondContact O-N 3.08Å; Y81-T86 HydrophobicContact CD1-CG2 4.16Å; Y81-T86 HydrophobicContact CD2-CG2 4.04Å; Y81-T86 HydrophobicContact CE1-CG2 3.65Å; Y81-T86 HydrophobicContact CE2-CG2 3.52Å; Y81-T86 HydrophobicContact CG-CG2 4.33Å; Y81-T86 WeakPolarHBondContact O-CG2 3.5Å; Y81-T86 WeakPolarHBondContact OH-CG2 3.28Å; Y81-L99 HydrophobicContact CE2-CD1 3.69Å; Y81-Y111 HydrophobicContact CD2-CD1 4.16Å; Y81-Y111 AromaticContact CD2-CD2 3.76Å; Y81-Y111 HydrophobicContact CD2-CD2 3.76Å; Y81-Y111 HydrophobicContact CD2-CE1 4.28Å; Y81-Y111 AromaticContact CD2-CE2 3.87Å; Y81-Y111 HydrophobicContact CD2-CE2 3.87Å; Y81-Y111 AromaticContact CD2-CG 3.92Å; Y81-Y111 HydrophobicContact CD2-CG 3.92Å; Y81-Y111 HydrophobicContact CG-CE2 4.3Å; Y81-A190 HydrophobicContact CD1-CB 3.89Å; Y81-A190 WeakPolarHBondContact CD1-O 3.41Å; Y81-A190 HydrophobicContact CE1-CB 3.93Å; Y81-A190 WeakPolarHBondContact CE1-O 3.44Å
82K95.3Very high95.5Very high45 Ų4550.1 Ų50.120%0.19625%0.246CC..G310 helixtrans-59.9-20.8176.471.7-176.5-173.9-174.30115D26 P71 E72 R80 H84 A190D26-K82 WeakPolarHBondContact OD2-CE 3.43Å; P71-K82 HydrophobicContact CB-CB 4.19Å; P71-K82 HydrophobicContact CB-CD 4.46Å; P71-K82 PolarHBondContact O-N 2.88Å; P71-K82 VanDerWaalsContact O-N 3.07Å; E72-K82 WeakPolarHBondContact OE1-CE 3.34Å; E72-K82 IonicContact OE1-NZ 2.8Å; E72-K82 PolarHBondContact OE1-NZ 2.66Å; E72-K82 IonicContact OE2-NZ 3.61Å; R80-K82 HydrophobicContact CB-CG 4.07Å; R80-K82 PolarHBondContact O-N 3.36Å; K82-H84 VanDerWaalsContact C-N 3.27Å; K82-A190 VanDerWaalsContact CA-CB 3.48Å; K82-A190 HydrophobicContact CB-CB 3.7Å
83Q95.7Very high95.5Very high56 Ų5650.9 Ų50.926%0.26226%0.263SS..G310 helixtrans-87.96.4177.1-57.3176.6-68.100112.5H79 R80 Y81 K102 V103H79-Q83 HydrophobicContact CB-CB 4.36Å; R80-Q83 HydrophobicContact CB-CG 4.3Å; R80-Q83 WeakPolarHBondContact O-CB 3.3Å; R80-Q83 PolarHBondContact O-N 3.31Å; Y81-Q83 PolarHBondContact O-N 3.24Å; Y81-Q83 VanDerWaalsContact O-N 3.09Å; Q83-K102 WeakPolarHBondContact O-CB 3.18Å; Q83-K102 PolarHBondContact O-N 3.18Å; Q83-V103 HydrophobicContact CB-CG2 3.86Å; Q83-V103 HydrophobicContact CG-CG2 4.4Å
84H96.8Very high95.5Very high0 Ų057 Ų570%029%0.289CS..BIsolated β-bridgetrans-103.8163.5172.9-62.767.5000110.5C75 R80 Y81 K82 T86 L99 R100 K102 Y111C75-H84 VanDerWaalsContact CB-CE1 3.49Å; C75-H84 WeakPolarHBondContact CB-CE1 3.47Å; C75-H84 PolarHBondContact SG-NE2 2.73Å; C75-H84 VanDerWaalsContact SG-NE2 3.41Å; R80-H84 PolarHBondContact O-CE1 2.93Å; R80-H84 PolarHBondContact O-ND1 3.29Å; Y81-H84 WeakPolarHBondContact O-CB 3.49Å; Y81-H84 PolarHBondContact O-N 3.08Å; K82-H84 VanDerWaalsContact C-N 3.27Å; H84-T86 HydrophobicContact CB-CG2 4.35Å; H84-T86 PolarHBondContact O-N 3.31Å; H84-L99 HydrophobicContact CB-CB 4.39Å; H84-L99 PolarHBondContact CD2-O 2.93Å; H84-R100 CarbonylContact C-O 3.59Å; H84-R100 VanDerWaalsContact CA-O 3.23Å; H84-R100 WeakPolarHBondContact CA-O 3.43Å; H84-K102 WeakPolarHBondContact O-CE 3.21Å; H84-Y111 AromaticContact CE1-CD2 3.87Å; H84-Y111 AromaticContact ND1-CD2 3.87Å
85Q95.9Very high95.3Very high78 Ų7860.5 Ų60.536%0.36430%0.301SS..  trans-70.595.9172.9-174.8178.613.600108.7F88 L99 R100Q85-F88 HydrophobicContact CB-CZ 4.5Å; Q85-F88 HydrophobicContact CG-CE1 3.97Å; Q85-F88 HydrophobicContact CG-CE2 4.32Å; Q85-F88 HydrophobicContact CG-CZ 3.77Å; Q85-L99 VanDerWaalsContact O-CD2 3.23Å; Q85-L99 WeakPolarHBondContact O-CD2 3.36Å; Q85-R100 PolarHBondContact N-O 3.4Å
86T94.8Very high95.1Very high12 Ų1265.2 Ų65.27%0.07433%0.331CS..  trans-110.6-3.7-176.155.60000112.7Y81 H84 A190Y81-T86 HydrophobicContact CD1-CG2 4.16Å; Y81-T86 HydrophobicContact CD2-CG2 4.04Å; Y81-T86 HydrophobicContact CE1-CG2 3.65Å; Y81-T86 HydrophobicContact CE2-CG2 3.52Å; Y81-T86 HydrophobicContact CG-CG2 4.33Å; Y81-T86 WeakPolarHBondContact O-CG2 3.5Å; Y81-T86 WeakPolarHBondContact OH-CG2 3.28Å; H84-T86 HydrophobicContact CB-CG2 4.35Å; H84-T86 PolarHBondContact O-N 3.31Å; T86-A190 HydrophobicContact CG2-CB 4.34Å
87E92.5Very high95.1Very high62 Ų6264.9 Ų64.929%0.2933%0.33SS..  trans-123.8135-177.5-52-158.580.700109.7R49R49-E87 WeakPolarHBondContact CD-OE1 3.49Å; R49-E87 WeakPolarHBondContact CG-OE1 3.49Å; R49-E87 IonicContact CZ-OE1 3.73Å; R49-E87 IonicContact CZ-OE2 2.74Å; R49-E87 IonicContact NE-OE1 3.46Å; R49-E87 PolarHBondContact NE-OE1 3.06Å; R49-E87 IonicContact NE-OE2 2.7Å; R49-E87 IonicContact NH2-OE1 3.99Å; R49-E87 IonicContact NH2-OE2 3.2Å; R49-E87 PolarHBondContact NH2-OE2 2.81Å
88F94.2Very high95.1Very high23 Ų2366.6 Ų66.610%0.10135%0.345CS..  trans-138.6131.3-176.4-64.7-92.1000109N52 L54 Q85 V90 P92 I97 L99N52-F88 WeakPolarHBondContact CB-O 3.29Å; N52-F88 PolarHBondContact ND2-O 2.89Å; L54-F88 HydrophobicContact CD1-CD2 3.78Å; L54-F88 HydrophobicContact CD1-CE2 3.6Å; Q85-F88 HydrophobicContact CB-CZ 4.5Å; Q85-F88 HydrophobicContact CG-CE1 3.97Å; Q85-F88 HydrophobicContact CG-CE2 4.32Å; Q85-F88 HydrophobicContact CG-CZ 3.77Å; F88-V90 VanDerWaalsContact C-N 3.35Å; F88-P92 HydrophobicContact CD1-CG 3.93Å; F88-P92 HydrophobicContact CE1-CG 3.89Å; F88-I97 HydrophobicContact CE2-CG2 4.02Å; F88-I97 HydrophobicContact CZ-CG2 3.96Å; F88-L99 HydrophobicContact CE2-CD2 3.84Å; F88-L99 HydrophobicContact CZ-CD2 4.16Å
89E93.8Very high95.2Very high152 Ų15262.7 Ų62.771%0.7133%0.327SS*.SBendtrans-67.9-40.4170.4-68-178.6-179.600111.1L48 N52L48-E89 HydrophobicContact CD1-CG 4.15Å; L48-E89 HydrophobicContact CD2-CG 4.47Å; N52-E89 PolarHBondContact ND2-O 2.74Å
90V95Very high95.2Very high121 Ų12167.9 Ų67.973%0.73334%0.344SS*.SBendtrans-125.7120.9171.9-178.20000107.7F88 P92F88-V90 VanDerWaalsContact C-N 3.35Å; V90-P92 WeakPolarHBondContact O-CD 3.16Å
91I95.4Very high95.2Very high42 Ų4264.1 Ų64.122%0.21533%0.332CS..  trans-65.7127.3178.1-68.1162000108.6N52 I97 T171N52-I91 HydrophobicContact CB-CD1 3.86Å; N52-I91 HydrophobicContact CB-CG1 3.98Å; I91-I97 HydrophobicContact CG2-CD1 3.71Å; I91-T171 HydrophobicContact CD1-CG2 3.76Å; I91-T171 HydrophobicContact CG2-CG2 3.85Å
92P95.7Very high95.1Very high48 Ų4869.5 Ų69.531%0.31236%0.356SS..  trans-56.5144.5176.4-25.735000111.7F88 V90 R95 I97F88-P92 HydrophobicContact CD1-CG 3.93Å; F88-P92 HydrophobicContact CE1-CG 3.89Å; V90-P92 WeakPolarHBondContact O-CD 3.16Å; P92-R95 PolarHBondContact O-NH1 3.2Å; P92-I97 HydrophobicContact CG-CG2 4.3Å
93S94.1Very high95.1Very high118 Ų11869.4 Ų69.483%0.82536%0.359SS*.SBendtrans-79.2-27.5173.753.40000112.6R95S93-R95 PolarHBondContact O-NH1 3.05Å
94E94.9Very high95Very high157 Ų15772.5 Ų72.573%0.73439%0.387SS*.SBendtrans-62.9143.3177.7-168.6175.8-177.700111.5
95R92.9Very high94.9Very high106 Ų10676.1 Ų76.140%0.442%0.424SS..SBendtrans-125.8136.9179.1-68.1-68.4177.4-871.9110.5P92 S93 E174P92-R95 PolarHBondContact O-NH1 3.2Å; S93-R95 PolarHBondContact O-NH1 3.05Å; R95-E174 IonicContact CZ-OE1 3.38Å; R95-E174 IonicContact NE-OE1 2.87Å; R95-E174 PolarHBondContact NE-OE1 3.06Å; R95-E174 IonicContact NE-OE2 2.67Å; R95-E174 IonicContact NH2-OE1 2.97Å; R95-E174 PolarHBondContact NH2-OE1 3.27Å; R95-E174 IonicContact NH2-OE2 3.7Å
96P92.5Very high94.9Very high101 Ų10173.8 Ų73.866%0.65642%0.416SS*.SBendcis-71.2153.1-3.831.1-35.3000112.6A98P96-A98 PolarHBondContact O-N 2.83Å; P96-A98 VanDerWaalsContact O-N 3.17Å
97I96.4Very high95Very high1 Ų180.7 Ų80.71%0.00544%0.441CS..PPolyproline II helixtrans-65.7116.5175.2-60.6168.1000108.3L54 F88 I91 P92 L99 V169 T171L54-I97 HydrophobicContact CD1-CG2 4.19Å; L54-I97 HydrophobicContact CD2-CD1 3.81Å; F88-I97 HydrophobicContact CE2-CG2 4.02Å; F88-I97 HydrophobicContact CZ-CG2 3.96Å; I91-I97 HydrophobicContact CG2-CD1 3.71Å; P92-I97 HydrophobicContact CG-CG2 4.3Å; I97-L99 HydrophobicContact CG2-CD2 3.97Å; I97-L99 PolarHBondContact O-N 3.38Å; I97-V169 HydrophobicContact CB-CB 4.43Å; I97-V169 HydrophobicContact CB-CG1 3.87Å; I97-V169 HydrophobicContact CD1-CG1 4.3Å; I97-V169 HydrophobicContact CG2-CG1 4.4Å; I97-T171 HydrophobicContact CD1-CG2 4.46Å
98A95.9Very high95.1Very high46 Ų4678 Ų7838%0.3843%0.429SS..PPolyproline II helixtrans-75116.6-178.500000111.3P96 R100P96-A98 PolarHBondContact O-N 2.83Å; P96-A98 VanDerWaalsContact O-N 3.17Å; A98-R100 PolarHBondContact O-N 3.29Å
99L97.1Very high95.2Very high0 Ų079.9 Ų79.90%045%0.445CS..  trans-98.377.3178.1-52.4-174.9000109.1L54 V56 Y81 H84 Q85 F88 I97 S110 Y111 V169L54-L99 HydrophobicContact CD1-CD2 3.64Å; V56-L99 HydrophobicContact CG2-CD1 3.98Å; Y81-L99 HydrophobicContact CE2-CD1 3.69Å; H84-L99 HydrophobicContact CB-CB 4.39Å; H84-L99 PolarHBondContact CD2-O 2.93Å; Q85-L99 VanDerWaalsContact O-CD2 3.23Å; Q85-L99 WeakPolarHBondContact O-CD2 3.36Å; F88-L99 HydrophobicContact CE2-CD2 3.84Å; F88-L99 HydrophobicContact CZ-CD2 4.16Å; I97-L99 HydrophobicContact CG2-CD2 3.97Å; I97-L99 PolarHBondContact O-N 3.38Å; L99-S110 PolarHBondContact N-OG 3.25Å; L99-S110 CarbonylContact O-C 3.44Å; L99-S110 VanDerWaalsContact O-CA 3.31Å; L99-S110 WeakPolarHBondContact O-CA 3.49Å; L99-Y111 PolarHBondContact O-N 3.12Å; L99-V169 HydrophobicContact CD1-CG1 4.05Å; L99-V169 HydrophobicContact CD1-CG2 3.76Å; L99-V169 HydrophobicContact CD2-CG1 4.11Å; L99-V169 HydrophobicContact CG-CG1 4.28Å; L99-V169 HydrophobicContact CG-CG2 4.16Å
100R96.6Very high95.3Very high159 Ų15974.2 Ų74.260%0.642%0.422SS*.  trans-61.7142.1-174.4-75.3-179.5171.8-140.80.1112.2H84 Q85 A98 S109H84-R100 CarbonylContact C-O 3.59Å; H84-R100 VanDerWaalsContact CA-O 3.23Å; H84-R100 WeakPolarHBondContact CA-O 3.43Å; Q85-R100 PolarHBondContact N-O 3.4Å; A98-R100 PolarHBondContact O-N 3.29Å; R100-S109 WeakPolarHBondContact CG-O 3.46Å
101C97.3Very high95.4Very high17 Ų1768.8 Ų68.812%0.11539%0.388CS..BIsolated β-bridgetrans-70133.8174.1-168.30000110.5C106 C108C101-C106 HydrophobicContact CB-CB 4.24Å; C101-C106 VanDerWaalsContact SG-SG 3.65Å; C101-C108 HydrophobicContact CB-CB 3.8Å; C101-C108 PolarHBondContact N-O 2.88Å
102K95.3Very high95.4Very high115 Ų11569 Ų6950%0.539%0.39SS..  trans-92.2-6.2179.3-58.4-171.9-66.4174.60113D27 Q83 H84 S104D27-K102 IonicContact OD1-NZ 3.61Å; Q83-K102 WeakPolarHBondContact O-CB 3.18Å; Q83-K102 PolarHBondContact O-N 3.18Å; H84-K102 WeakPolarHBondContact O-CE 3.21Å; K102-S104 PolarHBondContact O-N 3.16Å
103V94.8Very high95.4Very high43 Ų4367.8 Ų67.826%0.26138%0.379SS..SBendtrans-72.7128.5-178.9-1770000110.2H79 Q83 G105 C106H79-V103 HydrophobicContact CB-CG2 4.33Å; Q83-V103 HydrophobicContact CB-CG2 3.86Å; Q83-V103 HydrophobicContact CG-CG2 4.4Å; V103-G105 PolarHBondContact O-N 2.69Å; V103-C106 HydrophobicContact CB-CB 4.36Å; V103-C106 VanDerWaalsContact O-CB 3.26Å; V103-C106 WeakPolarHBondContact O-CB 3.35Å; V103-C106 PolarHBondContact O-N 3.29Å; V103-C106 VanDerWaalsContact O-N 3.11Å
104S93.9Very high95.4Very high122 Ų12262.8 Ų62.885%0.85334%0.343SS*.THydrogen-bonded Turntrans-54131.3-178.5-171.80000111.8K102 C106K102-S104 PolarHBondContact O-N 3.16Å; S104-C106 VanDerWaalsContact C-N 3.27Å; S104-C106 PolarHBondContact O-N 3.39Å
105G94.3Very high95.3Very high76 Ų7655.7 Ų55.778%0.78431%0.311SS*.THydrogen-bonded Turntrans80.3-7.6-179.900000115.7V103V103-G105 PolarHBondContact O-N 2.69Å
106C96.3Very high95.2Very high28 Ų2853.4 Ų53.419%0.18931%0.305CS..  trans-76.4129.2177.2-1720000111.4C101 V103 S104 C108C101-C106 HydrophobicContact CB-CB 4.24Å; C101-C106 VanDerWaalsContact SG-SG 3.65Å; V103-C106 HydrophobicContact CB-CB 4.36Å; V103-C106 VanDerWaalsContact O-CB 3.26Å; V103-C106 WeakPolarHBondContact O-CB 3.35Å; V103-C106 PolarHBondContact O-N 3.29Å; V103-C106 VanDerWaalsContact O-N 3.11Å; S104-C106 VanDerWaalsContact C-N 3.27Å; S104-C106 PolarHBondContact O-N 3.39Å; C106-C108 WeakPolarHBondContact SG-CB 3.29Å
107R95.8Very high94.9Very high157 Ų15751 Ų5159%0.59229%0.289SS*.  trans-95.113.1178.9-62.4178.8-64.5-175-2.8114.2S109 E135 A136R107-S109 PolarHBondContact O-N 3.49Å; R107-E135 HydrophobicContact CB-CG 4.2Å; R107-E135 IonicContact CZ-OE1 3.12Å; R107-E135 IonicContact NE-OE1 2.68Å; R107-E135 PolarHBondContact NE-OE1 2.8Å; R107-E135 IonicContact NH2-OE1 3.86Å; R107-E135 PolarHBondContact NH2-OE1 2.9Å; R107-E135 IonicContact NH2-OE2 3.95Å; R107-A136 HydrophobicContact CB-CB 4.23Å
108C96.1Very high94.2Very high7 Ų755.4 Ų55.45%0.04734%0.335CS..  trans-67.9113.9178.6179.10000110.8C77 C101 C106 S110 E135C77-C108 HydrophobicContact CB-CB 3.58Å; C101-C108 HydrophobicContact CB-CB 3.8Å; C101-C108 PolarHBondContact N-O 2.88Å; C106-C108 WeakPolarHBondContact SG-CB 3.29Å; C108-S110 PolarHBondContact SG-O 3.41Å; C108-E135 WeakPolarHBondContact CA-O 3.46Å; C108-E135 HydrophobicContact CB-CB 4.49Å
109S94.3Very high93.5Very high61 Ų6156.2 Ų56.243%0.42735%0.347SS..  trans-79.1-23.2-176.257.20000113.8R100 R107R100-S109 WeakPolarHBondContact CG-O 3.46Å; R107-S109 PolarHBondContact O-N 3.49Å
110S96.2Very high92.9Very high34 Ų3459.1 Ų59.124%0.23837%0.371CS..SBendtrans-161.2148.7175.2-171.20000110.7L99 C108 N112L99-S110 PolarHBondContact N-OG 3.25Å; L99-S110 CarbonylContact O-C 3.44Å; L99-S110 VanDerWaalsContact O-CA 3.31Å; L99-S110 WeakPolarHBondContact O-CA 3.49Å; C108-S110 PolarHBondContact SG-O 3.41Å; S110-N112 PolarHBondContact O-N 2.9Å
111Y97.7Very high92.6Very high6 Ų653.3 Ų53.32%0.02435%0.352CS..  trans-53.4131.5171.9-177.1-91.7000111.1V56 I69 T73 Q74 C75 Y81 H84 L99 T167V56-Y111 HydrophobicContact CG1-CD1 4.39Å; I69-Y111 HydrophobicContact CB-CE1 4.41Å; I69-Y111 HydrophobicContact CD1-CE1 4.2Å; I69-Y111 HydrophobicContact CG1-CE1 4.03Å; I69-Y111 HydrophobicContact CG2-CD1 4.48Å; I69-Y111 HydrophobicContact CG2-CE1 3.57Å; I69-Y111 HydrophobicContact CG2-CE2 4.4Å; I69-Y111 WeakPolarHBondContact CG2-OH 3.38Å; T73-Y111 WeakPolarHBondContact CG2-OH 3.38Å; T73-Y111 PolarHBondContact O-OH 3.2Å; Q74-Y111 PolarHBondContact O-OH 3.41Å; C75-Y111 HydrophobicContact CB-CD2 3.61Å; C75-Y111 HydrophobicContact CB-CE2 3.6Å; Y81-Y111 HydrophobicContact CD2-CD1 4.16Å; Y81-Y111 AromaticContact CD2-CD2 3.76Å; Y81-Y111 HydrophobicContact CD2-CD2 3.76Å; Y81-Y111 HydrophobicContact CD2-CE1 4.28Å; Y81-Y111 AromaticContact CD2-CE2 3.87Å; Y81-Y111 HydrophobicContact CD2-CE2 3.87Å; Y81-Y111 AromaticContact CD2-CG 3.92Å; Y81-Y111 HydrophobicContact CD2-CG 3.92Å; Y81-Y111 HydrophobicContact CG-CE2 4.3Å; H84-Y111 AromaticContact CE1-CD2 3.87Å; H84-Y111 AromaticContact ND1-CD2 3.87Å; L99-Y111 PolarHBondContact O-N 3.12Å; Y111-T167 HydrophobicContact CD1-CG2 3.82Å; Y111-T167 HydrophobicContact CE1-CG2 4.21Å
112N96Very high92.4Very high46 Ų4653 Ų5325%0.24635%0.349CS..  trans-141.1117.1179.4-174.60.2000108.7C75 F76 S110 H139C75-N112 CarbonylContact C-O 3.44Å; C75-N112 WeakPolarHBondContact CA-O 3.31Å; C75-N112 PolarHBondContact SG-N 3.46Å; F76-N112 HydrophobicContact CB-CB 4.17Å; F76-N112 PolarHBondContact N-O 3.25Å; S110-N112 PolarHBondContact O-N 2.9Å; N112-H139 PolarHBondContact ND2-NE2 3.07Å; N112-H139 VanDerWaalsContact ND2-NE2 3.2Å
113Y96.1Very high92.3Very high24 Ų2454 Ų549%0.09435%0.35CS..BIsolated β-bridgetrans-83.6135.4-179.6175.5-101.4000111.5F58 K67 I69 T73 P115 T167F58-Y113 HydrophobicContact CB-CD1 3.64Å; F58-Y113 HydrophobicContact CB-CE1 4.36Å; F58-Y113 HydrophobicContact CB-CG 4.23Å; F58-Y113 AromaticContact CD1-CD1 3.66Å; F58-Y113 HydrophobicContact CD1-CD1 3.66Å; F58-Y113 AromaticContact CD1-CE1 3.91Å; F58-Y113 HydrophobicContact CD1-CE1 3.91Å; F58-Y113 AromaticContact CD2-CD1 3.72Å; F58-Y113 HydrophobicContact CD2-CD1 3.72Å; F58-Y113 HydrophobicContact CD2-CG 4.42Å; F58-Y113 HydrophobicContact CE1-CD1 4.15Å; F58-Y113 HydrophobicContact CE1-CE1 4.32Å; F58-Y113 HydrophobicContact CE2-CD1 4.18Å; F58-Y113 AromaticContact CG-CD1 3.4Å; F58-Y113 HydrophobicContact CG-CD1 3.4Å; F58-Y113 VanDerWaalsContact CG-CD1 3.4Å; F58-Y113 HydrophobicContact CG-CE1 4.11Å; F58-Y113 HydrophobicContact CG-CG 4.31Å; F58-Y113 HydrophobicContact CZ-CD1 4.36Å; K67-Y113 HydrophobicContact CB-CE1 4.15Å; K67-Y113 HydrophobicContact CG-CE1 4.11Å; K67-Y113 HydrophobicContact CG-CE2 4.37Å; I69-Y113 HydrophobicContact CD1-CD1 4.44Å; I69-Y113 HydrophobicContact CD1-CD2 3.72Å; I69-Y113 HydrophobicContact CD1-CE2 4.41Å; I69-Y113 HydrophobicContact CD1-CG 3.72Å; T73-Y113 HydrophobicContact CG2-CD2 3.59Å; T73-Y113 HydrophobicContact CG2-CE2 3.58Å; Y113-P115 HydrophobicContact CE1-CB 4.4Å; Y113-P115 HydrophobicContact CE1-CG 4.12Å; Y113-T167 PolarHBondContact N-OG1 3.23Å
114I93.5Very high92.4Very high12 Ų1252 Ų526%0.06234%0.338CS..  trans-114.7128.7169.7-61.8-54.1000109.5F76 Q116 V122 P130 F150F76-I114 HydrophobicContact CB-CG1 4.3Å; F76-I114 HydrophobicContact CD2-CD1 3.7Å; F76-I114 HydrophobicContact CD2-CG1 3.43Å; F76-I114 VanDerWaalsContact CD2-CG1 3.43Å; F76-I114 HydrophobicContact CE2-CD1 4.23Å; F76-I114 HydrophobicContact CE2-CG1 4.15Å; F76-I114 HydrophobicContact CG-CG1 4.33Å; I114-Q116 WeakPolarHBondContact O-CG 3.41Å; I114-V122 HydrophobicContact CG2-CG2 3.65Å; I114-P130 HydrophobicContact CG2-CG 3.98Å; I114-F150 HydrophobicContact CD1-CD1 3.96Å; I114-F150 HydrophobicContact CD1-CE1 3.6Å; I114-F150 HydrophobicContact CD1-CZ 4.42Å; I114-F150 HydrophobicContact CG1-CE1 4.32Å; I114-F150 HydrophobicContact CG2-CE1 4.22Å; I114-F150 HydrophobicContact CG2-CZ 4.07Å
115P92.7Very high92.4Very high8 Ų851.3 Ų51.35%0.05232%0.319CS..  trans-54.8140.6175.4-28.436.1000113.5F58 Y113 V122 Y154 T162F58-P115 HydrophobicContact CE1-CG 3.7Å; F58-P115 HydrophobicContact CZ-CG 3.86Å; Y113-P115 HydrophobicContact CE1-CB 4.4Å; Y113-P115 HydrophobicContact CE1-CG 4.12Å; P115-V122 HydrophobicContact CB-CG1 4.21Å; P115-V122 PolarHBondContact O-N 3.4Å; P115-Y154 HydrophobicContact CB-CD1 4.08Å; P115-Y154 HydrophobicContact CB-CE1 3.96Å; P115-Y154 HydrophobicContact CG-CD1 4.47Å; P115-T162 HydrophobicContact CG-CG2 3.7Å
116Q90.9Very high92.5Very high58 Ų5849 Ų4927%0.27129%0.291SS..  trans-128.266.4177.7-55.1-172.516.600110.7I114 G118 G119 A120 M121I114-Q116 WeakPolarHBondContact O-CG 3.41Å; Q116-G118 PolarHBondContact O-N 2.93Å; Q116-G119 PolarHBondContact O-N 3.36Å; Q116-G119 VanDerWaalsContact O-N 3.08Å; Q116-A120 CarbonylContact C-O 3.49Å; Q116-A120 VanDerWaalsContact CA-O 3.25Å; Q116-A120 WeakPolarHBondContact CA-O 3.4Å; Q116-M121 HydrophobicContact CG-CG 4.08Å
117P85.7Confident92.5Very high50 Ų5054.7 Ų54.733%0.32531%0.312SS..G310 helixtrans-58128.7179.726.2-35.4000110.9G119 A120 V122 Y154P117-G119 PolarHBondContact O-N 2.7Å; P117-G119 VanDerWaalsContact O-N 3.12Å; P117-A120 VanDerWaalsContact CD-O 3.26Å; P117-A120 WeakPolarHBondContact CD-O 3.45Å; P117-A120 PolarHBondContact O-N 3.48Å; P117-V122 VanDerWaalsContact CD-CG1 3.48Å; P117-V122 HydrophobicContact CG-CG1 3.77Å; P117-Y154 HydrophobicContact CB-CE2 4.07Å; P117-Y154 HydrophobicContact CG-CD2 4.34Å; P117-Y154 HydrophobicContact CG-CE1 4.34Å; P117-Y154 HydrophobicContact CG-CE2 3.77Å
118G81.8Confident92.5Very high94 Ų9449.6 Ų49.697%0.96930%0.295SS*.G310 helixtrans59.122.8-178.200000114.1Q116 A120Q116-G118 PolarHBondContact O-N 2.93Å; G118-A120 VanDerWaalsContact C-N 3.28Å; G118-A120 PolarHBondContact O-N 3.21Å
119G80.8Confident92.4Very high63 Ų6351.4 Ų51.465%0.64930%0.304SS*.G310 helixtrans81.2-2.5-17700000115Q116 P117Q116-G119 PolarHBondContact O-N 3.36Å; Q116-G119 VanDerWaalsContact O-N 3.08Å; P117-G119 PolarHBondContact O-N 2.7Å; P117-G119 VanDerWaalsContact O-N 3.12Å
120A86.1Confident92.4Very high61 Ų6148.6 Ų48.650%0.50429%0.285SS..PPolyproline II helixtrans-97.2131.2176.400000110.9Q116 P117 G118Q116-A120 CarbonylContact C-O 3.49Å; Q116-A120 VanDerWaalsContact CA-O 3.25Å; Q116-A120 WeakPolarHBondContact CA-O 3.4Å; P117-A120 VanDerWaalsContact CD-O 3.26Å; P117-A120 WeakPolarHBondContact CD-O 3.45Å; P117-A120 PolarHBondContact O-N 3.48Å; G118-A120 VanDerWaalsContact C-N 3.28Å; G118-A120 PolarHBondContact O-N 3.21Å
121M88.5Confident92.3Very high37 Ų3751 Ų5118%0.18229%0.292CS..PPolyproline II helixtrans-64.9137.7174.4-70.9-173-176.100111.7Q116 L129 P130 Q131Q116-M121 HydrophobicContact CG-CG 4.08Å; M121-L129 HydrophobicContact CB-CD2 4.43Å; M121-P130 HydrophobicContact CB-CG 4.06Å; M121-P130 HydrophobicContact CG-CG 4.44Å; M121-P130 HydrophobicContact SD-CB 4.16Å; M121-P130 HydrophobicContact SD-CG 3.79Å; M121-Q131 HydrophobicContact SD-CG 4.21Å
122V93.4Very high92.2Very high10 Ų1052 Ų526%0.06130%0.298CS..PPolyproline II helixtrans-68147.3173.8-59.10000111.5I114 P115 P117 P130 F150 S152 Y154I114-V122 HydrophobicContact CG2-CG2 3.65Å; P115-V122 HydrophobicContact CB-CG1 4.21Å; P115-V122 PolarHBondContact O-N 3.4Å; P117-V122 VanDerWaalsContact CD-CG1 3.48Å; P117-V122 HydrophobicContact CG-CG1 3.77Å; V122-P130 WeakPolarHBondContact O-CD 3.48Å; V122-F150 HydrophobicContact CG2-CZ 4.16Å; V122-S152 WeakPolarHBondContact CB-OG 3.48Å; V122-S152 WeakPolarHBondContact CG2-OG 3.36Å; V122-Y154 HydrophobicContact CB-CG 4.31Å; V122-Y154 HydrophobicContact CG1-CD1 3.58Å; V122-Y154 HydrophobicContact CG1-CD2 3.97Å; V122-Y154 HydrophobicContact CG1-CE1 4.22Å; V122-Y154 HydrophobicContact CG1-CG 3.46Å; V122-Y154 VanDerWaalsContact CG1-CG 3.46Å
123R94.6Very high92.2Very high137 Ų13750 Ų5052%0.51729%0.287SS..PPolyproline II helixtrans-90.7149.4-179.2-68.6175.5179-86.4-2.8111.6K127 L129 S152R123-K127 WeakPolarHBondContact CD-O 3.47Å; R123-K127 PolarHBondContact NH1-O 3.12Å; R123-L129 HydrophobicContact CG-CD2 4.01Å; R123-S152 WeakPolarHBondContact O-CA 3.15Å; R123-S152 WeakPolarHBondContact O-CB 3.27Å; R123-S152 PolarHBondContact O-OG 3.01Å
124C95.4Very high92.2Very high1 Ų149.7 Ų49.71%0.00729%0.288CS..PPolyproline II helixtrans-66.9163.2167.9-175.20000110.9C126 K127 H128 F150 H151C124-C126 PolarHBondContact O-N 2.9Å; C124-C126 VanDerWaalsContact O-N 3.15Å; C124-K127 WeakPolarHBondContact O-CA 3.38Å; C124-K127 PolarHBondContact O-N 3.37Å; C124-H128 PolarHBondContact N-O 3.21Å; C124-F150 HydrophobicContact CB-CD2 3.74Å; C124-F150 HydrophobicContact CB-CE2 3.88Å; C124-H151 CarbonylContact C-O 3.51Å; C124-H151 WeakPolarHBondContact CA-O 3.19Å; C124-H151 PolarHBondContact SG-N 2.96Å
125K95Very high92.2Very high108 Ų10850.8 Ų50.847%0.4729%0.293SS..THydrogen-bonded Turntrans-53.4-30.717065.3179.9-179.5-177.80112.7K127 H151K125-K127 PolarHBondContact O-N 3.11Å; K125-H151 HydrophobicContact CD-CB 4.28Å; K125-H151 HydrophobicContact CG-CB 4.44Å; K125-H151 PolarHBondContact N-O 3.12Å
126C95.8Very high92.2Very high27 Ų2751.5 Ų51.518%0.18230%0.3CS..THydrogen-bonded Turntrans-77.27.3173.672.40000114C124 H128 C147C124-C126 PolarHBondContact O-N 2.9Å; C124-C126 VanDerWaalsContact O-N 3.15Å; C126-H128 PolarHBondContact O-N 3.04Å; C126-H128 VanDerWaalsContact O-N 3.1Å; C126-H128 PolarHBondContact O-ND1 3.09Å; C126-H128 PolarHBondContact SG-ND1 3.34Å; C126-C147 HydrophobicContact CB-CB 4.05Å
127K95.4Very high92.1Very high148 Ų14852.6 Ų52.664%0.64332%0.319SS*.SBendtrans68.2-5.2-179.9-49.5-60-178.61760116.2R123 C124 K125R123-K127 WeakPolarHBondContact CD-O 3.47Å; R123-K127 PolarHBondContact NH1-O 3.12Å; C124-K127 WeakPolarHBondContact O-CA 3.38Å; C124-K127 PolarHBondContact O-N 3.37Å; K125-K127 PolarHBondContact O-N 3.11Å
128H95.9Very high92.3Very high49 Ų4952.5 Ų52.523%0.22733%0.327CS..  trans-79156.9174.2-60.5117000112.9C124 C126 D132 K143C124-H128 PolarHBondContact N-O 3.21Å; C126-H128 PolarHBondContact O-N 3.04Å; C126-H128 VanDerWaalsContact O-N 3.1Å; C126-H128 PolarHBondContact O-ND1 3.09Å; C126-H128 PolarHBondContact SG-ND1 3.34Å; H128-D132 HydrophobicContact CB-CB 3.78Å; H128-D132 WeakPolarHBondContact CB-OD2 3.4Å; H128-D132 IonicContact CD2-OD2 3.92Å; H128-K143 VanDerWaalsContact CD2-CD 3.45Å; H128-K143 WeakPolarHBondContact CD2-CD 3.3Å
129L94.8Very high92.9Very high46 Ų4649.8 Ų49.824%0.24129%0.289CS..  trans-77.8163.4179.6-71.3169.8000111.3M121 R123 Q131 D132 H133M121-L129 HydrophobicContact CB-CD2 4.43Å; R123-L129 HydrophobicContact CG-CD2 4.01Å; L129-Q131 PolarHBondContact O-N 3.46Å; L129-D132 PolarHBondContact N-OD2 3.11Å; L129-D132 VanDerWaalsContact N-OD2 3.1Å; L129-D132 WeakPolarHBondContact O-CB 3.36Å; L129-D132 PolarHBondContact O-N 2.97Å; L129-H133 PolarHBondContact O-CE1 3.33Å; L129-H133 PolarHBondContact O-ND1 2.88Å
130P94.5Very high93.6Very high2 Ų251.6 Ų51.61%0.01328%0.283CS..G310 helixtrans-54.4-38.7174.1-2433.2000112.8F76 I114 M121 V122 D132 H133 F150F76-P130 HydrophobicContact CD2-CB 4.39Å; F76-P130 HydrophobicContact CE2-CB 3.98Å; F76-P130 HydrophobicContact CZ-CB 4.26Å; I114-P130 HydrophobicContact CG2-CG 3.98Å; M121-P130 HydrophobicContact CB-CG 4.06Å; M121-P130 HydrophobicContact CG-CG 4.44Å; M121-P130 HydrophobicContact SD-CB 4.16Å; M121-P130 HydrophobicContact SD-CG 3.79Å; V122-P130 WeakPolarHBondContact O-CD 3.48Å; P130-D132 PolarHBondContact O-N 2.87Å; P130-H133 WeakPolarHBondContact O-CB 3.45Å; P130-H133 PolarHBondContact O-N 3.31Å; P130-F150 HydrophobicContact CB-CD2 4.37Å; P130-F150 HydrophobicContact CB-CE2 3.99Å; P130-F150 HydrophobicContact CB-CZ 4.46Å; P130-F150 HydrophobicContact CG-CD2 4.42Å; P130-F150 HydrophobicContact CG-CE2 3.57Å; P130-F150 HydrophobicContact CG-CZ 3.8Å
131Q93.9Very high94.2Very high85 Ų8549.4 Ų49.440%0.39726%0.264SS..G310 helixtrans-59.9-28.3178.5-48.6-178.4-46.500113.1E78 M121 L129 H133E78-Q131 HydrophobicContact CG-CG 4.29Å; E78-Q131 VanDerWaalsContact OE1-CB 3.3Å; E78-Q131 WeakPolarHBondContact OE1-CB 3.43Å; E78-Q131 VanDerWaalsContact OE1-CG 3.22Å; E78-Q131 WeakPolarHBondContact OE1-CG 3.36Å; E78-Q131 PolarHBondContact OE2-NE2 2.86Å; M121-Q131 HydrophobicContact SD-CG 4.21Å; L129-Q131 PolarHBondContact O-N 3.46Å; Q131-H133 PolarHBondContact O-N 3.3Å
132D95.8Very high94.5Very high26 Ų2653.5 Ų53.514%0.13928%0.281CS..G310 helixtrans-78.23.3176.2-62.4-40.1000113H128 L129 P130 K142 K143H128-D132 HydrophobicContact CB-CB 3.78Å; H128-D132 WeakPolarHBondContact CB-OD2 3.4Å; H128-D132 IonicContact CD2-OD2 3.92Å; L129-D132 PolarHBondContact N-OD2 3.11Å; L129-D132 VanDerWaalsContact N-OD2 3.1Å; L129-D132 WeakPolarHBondContact O-CB 3.36Å; L129-D132 PolarHBondContact O-N 2.97Å; P130-D132 PolarHBondContact O-N 2.87Å; D132-K142 WeakPolarHBondContact O-CB 3.4Å; D132-K142 PolarHBondContact O-N 2.57Å; D132-K143 HydrophobicContact CB-CD 3.97Å; D132-K143 HydrophobicContact CB-CG 4.29Å; D132-K143 VanDerWaalsContact CG-CE 3.46Å; D132-K143 WeakPolarHBondContact OD1-CE 3.3Å; D132-K143 IonicContact OD1-NZ 2.76Å; D132-K143 PolarHBondContact OD1-NZ 3.35Å; D132-K143 IonicContact OD2-NZ 3.31Å; D132-K143 PolarHBondContact OD2-NZ 3.2Å; D132-K143 VanDerWaalsContact OD2-NZ 3.08Å
133H96.2Very high94.6Very high3 Ų359.3 Ų59.31%0.01431%0.305CS..BIsolated β-bridgetrans-114.3161.9177.4-61.772.6000110F76 L129 P130 Q131 H139 L140 C141 K142 F150F76-H133 HydrophobicContact CE1-CB 4.14Å; F76-H133 HydrophobicContact CZ-CB 3.74Å; L129-H133 PolarHBondContact O-CE1 3.33Å; L129-H133 PolarHBondContact O-ND1 2.88Å; P130-H133 WeakPolarHBondContact O-CB 3.45Å; P130-H133 PolarHBondContact O-N 3.31Å; Q131-H133 PolarHBondContact O-N 3.3Å; H133-H139 WeakPolarHBondContact CB-O 3.35Å; H133-H139 PolarHBondContact CD2-O 2.8Å; H133-L140 CarbonylContact C-O 3.54Å; H133-L140 VanDerWaalsContact CA-O 3.27Å; H133-L140 WeakPolarHBondContact CA-O 3.2Å; H133-C141 VanDerWaalsContact CD2-CA 3.47Å; H133-C141 WeakPolarHBondContact CD2-CA 3.16Å; H133-K142 VanDerWaalsContact O-CE 3.28Å; H133-K142 WeakPolarHBondContact O-CE 3.33Å; H133-K142 PolarHBondContact O-NZ 3.44Å; H133-F150 AromaticContact CE1-CD2 3.89Å; H133-F150 AromaticContact ND1-CD2 3.88Å
134S95.6Very high94.7Very high19 Ų1954.1 Ų54.113%0.13329%0.289CS..  trans-73.6136.2175.2-1720000111.1F76 A136 H139 L140F76-S134 WeakPolarHBondContact CE1-O 3.34Å; S134-A136 PolarHBondContact O-N 2.8Å; S134-A136 WeakPolarHBondContact OG-CB 3.5Å; S134-A136 PolarHBondContact OG-N 2.76Å; S134-H139 VanDerWaalsContact O-CA 3.3Å; S134-H139 WeakPolarHBondContact O-CA 3.36Å; S134-H139 PolarHBondContact O-ND1 3.15Å; S134-L140 PolarHBondContact N-O 2.76Å
135E94Very high94.5Very high34 Ų3464.1 Ų64.116%0.15933%0.333CS..SBendtrans-65.4-19.1168.369.4-67.8164.600113.2C77 R107 C108 K142C77-E135 HydrophobicContact CB-CB 3.76Å; R107-E135 HydrophobicContact CB-CG 4.2Å; R107-E135 IonicContact CZ-OE1 3.12Å; R107-E135 IonicContact NE-OE1 2.68Å; R107-E135 PolarHBondContact NE-OE1 2.8Å; R107-E135 IonicContact NH2-OE1 3.86Å; R107-E135 PolarHBondContact NH2-OE1 2.9Å; R107-E135 IonicContact NH2-OE2 3.95Å; C108-E135 WeakPolarHBondContact CA-O 3.46Å; C108-E135 HydrophobicContact CB-CB 4.49Å; E135-K142 IonicContact OE2-NZ 2.67Å; E135-K142 PolarHBondContact OE2-NZ 3.17Å
136A92.9Very high94.3Very high24 Ų2465.4 Ų65.420%0.19835%0.35CS..SBendtrans-70.3166.3176.100000112R107 S134 G138 H139R107-A136 HydrophobicContact CB-CB 4.23Å; S134-A136 PolarHBondContact O-N 2.8Å; S134-A136 WeakPolarHBondContact OG-CB 3.5Å; S134-A136 PolarHBondContact OG-N 2.76Å; A136-G138 PolarHBondContact O-N 3.18Å; A136-H139 PolarHBondContact O-N 2.73Å; A136-H139 VanDerWaalsContact O-N 3.12Å; A136-H139 PolarHBondContact O-ND1 3.39Å
137A88.7Confident94.2Very high80 Ų8064.6 Ų64.666%0.66134%0.344SS*.THydrogen-bonded Turntrans-51.2140.6176.800000111.9H139A137-H139 VanDerWaalsContact C-N 3.27Å; A137-H139 PolarHBondContact O-N 3.13Å
138G89.9Confident94.1Very high48 Ų4861.9 Ų61.950%0.49534%0.344SS..THydrogen-bonded Turntrans85.5-15.2-176.800000114.8A136 L140 G149A136-G138 PolarHBondContact O-N 3.18Å; G138-L140 VanDerWaalsContact C-N 3.27Å; G138-L140 PolarHBondContact O-N 3.31Å; G138-L140 VanDerWaalsContact O-N 3.16Å; G138-G149 WeakPolarHBondContact O-CA 3.34Å
139H94.5Very high94Very high38 Ų3860 Ų6018%0.17634%0.337CS..  trans49.143.5172.7-58.9-48.9000114.5F76 N112 H133 S134 A136 A137 G149 F150F76-H139 AromaticContact CD1-CE1 3.74Å; F76-H139 AromaticContact CD1-ND1 3.56Å; F76-H139 HydrophobicContact CE1-CB 4.22Å; F76-H139 AromaticContact CE1-CG 3.91Å; F76-H139 AromaticContact CE1-ND1 3.4Å; F76-H139 WeakPolarHBondContact CE1-ND1 3.4Å; F76-H139 HydrophobicContact CE2-CB 4.45Å; F76-H139 AromaticContact CG-CE1 3.96Å; F76-H139 HydrophobicContact CZ-CB 3.87Å; F76-H139 AromaticContact CZ-CG 3.84Å; F76-H139 AromaticContact CZ-ND1 3.82Å; N112-H139 PolarHBondContact ND2-NE2 3.07Å; N112-H139 VanDerWaalsContact ND2-NE2 3.2Å; H133-H139 WeakPolarHBondContact CB-O 3.35Å; H133-H139 PolarHBondContact CD2-O 2.8Å; S134-H139 VanDerWaalsContact O-CA 3.3Å; S134-H139 WeakPolarHBondContact O-CA 3.36Å; S134-H139 PolarHBondContact O-ND1 3.15Å; A136-H139 PolarHBondContact O-N 2.73Å; A136-H139 VanDerWaalsContact O-N 3.12Å; A136-H139 PolarHBondContact O-ND1 3.39Å; A137-H139 VanDerWaalsContact C-N 3.27Å; A137-H139 PolarHBondContact O-N 3.13Å; H139-G149 CarbonylContact O-C 3.37Å; H139-G149 VanDerWaalsContact O-CA 3.29Å; H139-G149 WeakPolarHBondContact O-CA 3.44Å; H139-F150 HydrophobicContact CB-CB 3.84Å; H139-F150 PolarHBondContact O-N 2.98Å
140L95.8Very high94Very high100 Ų10059.3 Ų59.352%0.52433%0.332SS..  trans-64.1139.9-175.7-62179.8000111.7H133 S134 G138 K142H133-L140 CarbonylContact C-O 3.54Å; H133-L140 VanDerWaalsContact CA-O 3.27Å; H133-L140 WeakPolarHBondContact CA-O 3.2Å; S134-L140 PolarHBondContact N-O 2.76Å; G138-L140 VanDerWaalsContact C-N 3.27Å; G138-L140 PolarHBondContact O-N 3.31Å; G138-L140 VanDerWaalsContact O-N 3.16Å; L140-K142 PolarHBondContact O-N 2.98Å
141C96.9Very high94Very high15 Ų1562.6 Ų62.610%0.10135%0.347CS..BIsolated β-bridgetrans-70.4132177.9-1680000110.8H133 C147H133-C141 VanDerWaalsContact CD2-CA 3.47Å; H133-C141 WeakPolarHBondContact CD2-CA 3.16Å; C141-C147 HydrophobicContact CB-CB 3.52Å
142K95.9Very high93.9Very high124 Ų12458.7 Ų58.754%0.53933%0.33SS..SBendtrans-80.1-23.2176.6-61.7167.5178.9156.60111.8D132 H133 E135 L140D132-K142 WeakPolarHBondContact O-CB 3.4Å; D132-K142 PolarHBondContact O-N 2.57Å; H133-K142 VanDerWaalsContact O-CE 3.28Å; H133-K142 WeakPolarHBondContact O-CE 3.33Å; H133-K142 PolarHBondContact O-NZ 3.44Å; E135-K142 IonicContact OE2-NZ 2.67Å; E135-K142 PolarHBondContact OE2-NZ 3.17Å; L140-K142 PolarHBondContact O-N 2.98Å
143K96.1Very high93.7Very high131 Ų13161.4 Ų61.457%0.5735%0.349SS*.SBendtrans-93.4-25.5-175.2-71.1-176.2172.11660115.1H128 D132H128-K143 VanDerWaalsContact CD2-CD 3.45Å; H128-K143 WeakPolarHBondContact CD2-CD 3.3Å; D132-K143 HydrophobicContact CB-CD 3.97Å; D132-K143 HydrophobicContact CB-CG 4.29Å; D132-K143 VanDerWaalsContact CG-CE 3.46Å; D132-K143 WeakPolarHBondContact OD1-CE 3.3Å; D132-K143 IonicContact OD1-NZ 2.76Å; D132-K143 PolarHBondContact OD1-NZ 3.35Å; D132-K143 IonicContact OD2-NZ 3.31Å; D132-K143 PolarHBondContact OD2-NZ 3.2Å; D132-K143 VanDerWaalsContact OD2-NZ 3.08Å
144C95.5Very high93.6Very high28 Ų2865 Ų6519%0.18936%0.363CS..  trans-136.8150.1-178.468.90000112C147C144-C147 WeakPolarHBondContact SG-CB 3.47Å
145K90.7Very high93.5Very high212 Ų21267.9 Ų67.992%0.92238%0.38SS*.SBendtrans-90.5-16.2-175.4-60-62.9-174.2179.90114.3
146V91.2Very high93.4Very high135 Ų13567.2 Ų67.282%0.81838%0.378SS*.SBendtrans-87-13.6-177.8-61.90000113.6S148V146-S148 PolarHBondContact O-N 3.07Å
147C94.6Very high93.3Very high10 Ų1068.1 Ų68.17%0.06839%0.39CS..  trans-82.4115.9-179-176.50000110.3C126 C141 C144 G149C126-C147 HydrophobicContact CB-CB 4.05Å; C141-C147 HydrophobicContact CB-CB 3.52Å; C144-C147 WeakPolarHBondContact SG-CB 3.47Å; C147-G149 PolarHBondContact O-N 3.35Å; C147-G149 PolarHBondContact SG-O 3.36Å
148S93Very high93.4Very high91 Ų9166.2 Ų66.264%0.63637%0.372SS*.  trans-78.30.5178.261.90000114.4V146V146-S148 PolarHBondContact O-N 3.07Å
149G94.3Very high93.5Very high9 Ų966.6 Ų66.69%0.09338%0.375CS..SBendtrans145.6157.8-174.500000112.4G138 H139 C147 H151G138-G149 WeakPolarHBondContact O-CA 3.34Å; H139-G149 CarbonylContact O-C 3.37Å; H139-G149 VanDerWaalsContact O-CA 3.29Å; H139-G149 WeakPolarHBondContact O-CA 3.44Å; C147-G149 PolarHBondContact O-N 3.35Å; C147-G149 PolarHBondContact SG-O 3.36Å; G149-H151 PolarHBondContact O-N 3.22Å
150F94.6Very high93.4Very high31 Ų3170.8 Ų70.814%0.13639%0.39CS..  trans-59123.5177-176.1-92.2000111.5F76 I114 V122 C124 P130 H133 H139F76-F150 HydrophobicContact CE2-CB 3.63Å; F76-F150 AromaticContact CE2-CD1 3.81Å; F76-F150 HydrophobicContact CE2-CD1 3.81Å; F76-F150 AromaticContact CE2-CD2 3.92Å; F76-F150 HydrophobicContact CE2-CD2 3.92Å; F76-F150 HydrophobicContact CE2-CE1 4.46Å; F76-F150 AromaticContact CE2-CG 3.51Å; F76-F150 HydrophobicContact CE2-CG 3.51Å; F76-F150 HydrophobicContact CZ-CB 3.78Å; F76-F150 HydrophobicContact CZ-CD2 4.26Å; F76-F150 HydrophobicContact CZ-CG 4.03Å; I114-F150 HydrophobicContact CD1-CD1 3.96Å; I114-F150 HydrophobicContact CD1-CE1 3.6Å; I114-F150 HydrophobicContact CD1-CZ 4.42Å; I114-F150 HydrophobicContact CG1-CE1 4.32Å; I114-F150 HydrophobicContact CG2-CE1 4.22Å; I114-F150 HydrophobicContact CG2-CZ 4.07Å; V122-F150 HydrophobicContact CG2-CZ 4.16Å; C124-F150 HydrophobicContact CB-CD2 3.74Å; C124-F150 HydrophobicContact CB-CE2 3.88Å; P130-F150 HydrophobicContact CB-CD2 4.37Å; P130-F150 HydrophobicContact CB-CE2 3.99Å; P130-F150 HydrophobicContact CB-CZ 4.46Å; P130-F150 HydrophobicContact CG-CD2 4.42Å; P130-F150 HydrophobicContact CG-CE2 3.57Å; P130-F150 HydrophobicContact CG-CZ 3.8Å; H133-F150 AromaticContact CE1-CD2 3.89Å; H133-F150 AromaticContact ND1-CD2 3.88Å; H139-F150 HydrophobicContact CB-CB 3.84Å; H139-F150 PolarHBondContact O-N 2.98Å
151H93.9Very high93.2Very high71 Ų7167.3 Ų67.333%0.32937%0.373SS..  trans-149.6104.7-179.8-176.6-71.6000109.8C124 K125 G149 F163C124-H151 CarbonylContact C-O 3.51Å; C124-H151 WeakPolarHBondContact CA-O 3.19Å; C124-H151 PolarHBondContact SG-N 2.96Å; K125-H151 HydrophobicContact CD-CB 4.28Å; K125-H151 HydrophobicContact CG-CB 4.44Å; K125-H151 PolarHBondContact N-O 3.12Å; G149-H151 PolarHBondContact O-N 3.22Å; H151-F163 AromaticContact CE1-CD1 3.35Å; H151-F163 WeakPolarHBondContact CE1-CD1 3.27Å; H151-F163 AromaticContact CE1-CG 3.71Å; H151-F163 WeakPolarHBondContact NE2-CB 3.37Å; H151-F163 AromaticContact NE2-CD1 3.6Å; H151-F163 AromaticContact NE2-CG 3.44Å; H151-F163 WeakPolarHBondContact NE2-CG 3.35Å
152S92.6Very high92.9Very high4 Ų467.1 Ų67.13%0.02837%0.371CS..  trans-90.8131.5-177.6178.20000112.1V122 R123 Y154V122-S152 WeakPolarHBondContact CB-OG 3.48Å; V122-S152 WeakPolarHBondContact CG2-OG 3.36Å; R123-S152 WeakPolarHBondContact O-CA 3.15Å; R123-S152 WeakPolarHBondContact O-CB 3.27Å; R123-S152 PolarHBondContact O-OG 3.01Å; S152-Y154 PolarHBondContact O-N 3.16Å; S152-Y154 VanDerWaalsContact OG-CB 3.24Å; S152-Y154 WeakPolarHBondContact OG-CB 3.28Å; S152-Y154 PolarHBondContact OG-N 2.78Å; S152-Y154 VanDerWaalsContact OG-N 3.13Å
153P90.7Very high92.5Very high82 Ų8266.6 Ų66.653%0.53237%0.369SS..  trans-80.15.4170.535.5-35.3000113.1T155P153-T155 PolarHBondContact O-N 3.19Å
154Y93.4Very high92.3Very high79 Ų7963 Ų6331%0.3136%0.355SS..PPolyproline II helixtrans-60.4134.7179.3172.7-108.7000111.6P115 P117 V122 S152 T162P115-Y154 HydrophobicContact CB-CD1 4.08Å; P115-Y154 HydrophobicContact CB-CE1 3.96Å; P115-Y154 HydrophobicContact CG-CD1 4.47Å; P117-Y154 HydrophobicContact CB-CE2 4.07Å; P117-Y154 HydrophobicContact CG-CD2 4.34Å; P117-Y154 HydrophobicContact CG-CE1 4.34Å; P117-Y154 HydrophobicContact CG-CE2 3.77Å; V122-Y154 HydrophobicContact CB-CG 4.31Å; V122-Y154 HydrophobicContact CG1-CD1 3.58Å; V122-Y154 HydrophobicContact CG1-CD2 3.97Å; V122-Y154 HydrophobicContact CG1-CE1 4.22Å; V122-Y154 HydrophobicContact CG1-CG 3.46Å; V122-Y154 VanDerWaalsContact CG1-CG 3.46Å; S152-Y154 PolarHBondContact O-N 3.16Å; S152-Y154 VanDerWaalsContact OG-CB 3.24Å; S152-Y154 WeakPolarHBondContact OG-CB 3.28Å; S152-Y154 PolarHBondContact OG-N 2.78Å; S152-Y154 VanDerWaalsContact OG-N 3.13Å; Y154-T162 VanDerWaalsContact CD1-OG1 3.25Å; Y154-T162 WeakPolarHBondContact CD1-OG1 3.3Å; Y154-T162 WeakPolarHBondContact O-CB 3.34Å; Y154-T162 PolarHBondContact O-N 3.06Å; Y154-T162 PolarHBondContact O-OG1 2.91Å
155T93.8Very high92.3Very high80 Ų8062.3 Ų62.349%0.49135%0.348SS..BIsolated β-bridgetrans-91120.8173.4-540000109.5P153P153-T155 PolarHBondContact O-N 3.19Å
156C93.3Very high92.4Very high19 Ų1960.3 Ų60.313%0.12834%0.335CS..PPolyproline II helixtrans-67.5159.4176-174.60000110.7C158 G159 R160 H165C156-C158 PolarHBondContact O-N 2.78Å; C156-G159 PolarHBondContact O-N 2.76Å; C156-R160 WeakPolarHBondContact CB-O 3.22Å; C156-R160 PolarHBondContact N-O 3.16Å; C156-H165 VanDerWaalsContact CB-CE1 3.5Å; C156-H165 WeakPolarHBondContact CB-CE1 3.33Å
157G89.4Confident92.7Very high44 Ų4455 Ų5545%0.45430%0.303SS..THydrogen-bonded Turntrans-57.4-19.3175.700000114.4G159G157-G159 PolarHBondContact O-N 3.5Å
158C91.1Very high92.7Very high40 Ų4056.1 Ų56.127%0.2731%0.308SS..THydrogen-bonded Turntrans-74.5-1.4170.8720000114.3I64 C156 R160 H165I64-C158 HydrophobicContact CD1-CB 4.11Å; C156-C158 PolarHBondContact O-N 2.78Å; C158-R160 VanDerWaalsContact C-N 3.31Å; C158-R160 PolarHBondContact O-N 2.83Å; C158-H165 VanDerWaalsContact SG-CE1 3.5Å; C158-H165 PolarHBondContact SG-NE2 3.38Å
159G91.6Very high92.9Very high55 Ų5552.5 Ų52.557%0.56728%0.282SS*.SBendtrans83.8-4.4-179.600000115.1C156 G157C156-G159 PolarHBondContact O-N 2.76Å; G157-G159 PolarHBondContact O-N 3.5Å
160R92.4Very high93Very high127 Ų12753.1 Ų53.148%0.47928%0.283SS..SBendtrans-97.6147.8177.9-56.1-64-70.3-161.4-2.7111.3V60 C156 C158 E164V60-R160 HydrophobicContact CG2-CB 4.02Å; V60-R160 HydrophobicContact CG2-CG 4.15Å; C156-R160 WeakPolarHBondContact CB-O 3.22Å; C156-R160 PolarHBondContact N-O 3.16Å; C158-R160 VanDerWaalsContact C-N 3.31Å; C158-R160 PolarHBondContact O-N 2.83Å; R160-E164 IonicContact CZ-OE1 2.94Å; R160-E164 IonicContact CZ-OE2 2.83Å; R160-E164 IonicContact NE-OE1 3.65Å; R160-E164 IonicContact NE-OE2 3.85Å; R160-E164 PolarHBondContact NE-OE2 2.86Å; R160-E164 IonicContact NH2-OE1 2.73Å; R160-E164 PolarHBondContact NH2-OE1 2.94Å; R160-E164 IonicContact NH2-OE2 3.43Å; R160-E164 PolarHBondContact NH2-OE2 3.15Å
161P91.5Very high93.1Very high26 Ų2652.4 Ų52.417%0.16928%0.281CS..BIsolated β-bridgetrans-68.6151.9176.829.8-35000111.7F163 E164 H165P161-F163 VanDerWaalsContact C-N 3.27Å; P161-F163 HydrophobicContact CB-CD1 3.73Å; P161-F163 HydrophobicContact CB-CE1 3.32Å; P161-F163 HydrophobicContact CB-CZ 3.79Å; P161-F163 HydrophobicContact CG-CD1 4.15Å; P161-F163 HydrophobicContact CG-CE1 3.49Å; P161-F163 VanDerWaalsContact CG-CE1 3.49Å; P161-F163 HydrophobicContact CG-CE2 3.96Å; P161-F163 HydrophobicContact CG-CZ 3.36Å; P161-F163 PolarHBondContact O-N 2.96Å; P161-E164 WeakPolarHBondContact CD-OE1 3.13Å; P161-E164 HydrophobicContact CG-CG 3.94Å; P161-E164 VanDerWaalsContact CG-OE1 3.3Å; P161-E164 WeakPolarHBondContact CG-OE1 3.36Å; P161-E164 PolarHBondContact O-N 2.85Å; P161-E164 VanDerWaalsContact O-N 3.16Å; P161-H165 PolarHBondContact O-ND1 2.82Å
162T91.1Very high93.2Very high11 Ų1152 Ų527%0.06728%0.278CS..G310 helixtrans-60.9-33.2-173.8-59.20000113.2F58 P115 Y154 E164 H165F58-T162 HydrophobicContact CZ-CG2 3.98Å; P115-T162 HydrophobicContact CG-CG2 3.7Å; Y154-T162 VanDerWaalsContact CD1-OG1 3.25Å; Y154-T162 WeakPolarHBondContact CD1-OG1 3.3Å; Y154-T162 WeakPolarHBondContact O-CB 3.34Å; Y154-T162 PolarHBondContact O-N 3.06Å; Y154-T162 PolarHBondContact O-OG1 2.91Å; T162-E164 PolarHBondContact O-N 2.84Å; T162-H165 WeakPolarHBondContact O-CB 3.45Å; T162-H165 PolarHBondContact O-N 3.11Å
163F87.9Confident93.3Very high113 Ų11359.6 Ų59.650%0.49631%0.313SS..G310 helixtrans-68.7-17.1-178.964.5-102.2000113.9H151 P161 H165H151-F163 AromaticContact CE1-CD1 3.35Å; H151-F163 WeakPolarHBondContact CE1-CD1 3.27Å; H151-F163 AromaticContact CE1-CG 3.71Å; H151-F163 WeakPolarHBondContact NE2-CB 3.37Å; H151-F163 AromaticContact NE2-CD1 3.6Å; H151-F163 AromaticContact NE2-CG 3.44Å; H151-F163 WeakPolarHBondContact NE2-CG 3.35Å; P161-F163 VanDerWaalsContact C-N 3.27Å; P161-F163 HydrophobicContact CB-CD1 3.73Å; P161-F163 HydrophobicContact CB-CE1 3.32Å; P161-F163 HydrophobicContact CB-CZ 3.79Å; P161-F163 HydrophobicContact CG-CD1 4.15Å; P161-F163 HydrophobicContact CG-CE1 3.49Å; P161-F163 VanDerWaalsContact CG-CE1 3.49Å; P161-F163 HydrophobicContact CG-CE2 3.96Å; P161-F163 HydrophobicContact CG-CZ 3.36Å; P161-F163 PolarHBondContact O-N 2.96Å; F163-H165 VanDerWaalsContact C-N 3.31Å
164E92Very high93.6Very high57 Ų5758.6 Ų58.627%0.26630%0.302SS..G310 helixtrans-81-16.1171.9-69.4-178.9-153.400112.6V60 R160 P161 T162V60-E164 HydrophobicContact CG2-CB 4.49Å; R160-E164 IonicContact CZ-OE1 2.94Å; R160-E164 IonicContact CZ-OE2 2.83Å; R160-E164 IonicContact NE-OE1 3.65Å; R160-E164 IonicContact NE-OE2 3.85Å; R160-E164 PolarHBondContact NE-OE2 2.86Å; R160-E164 IonicContact NH2-OE1 2.73Å; R160-E164 PolarHBondContact NH2-OE1 2.94Å; R160-E164 IonicContact NH2-OE2 3.43Å; R160-E164 PolarHBondContact NH2-OE2 3.15Å; P161-E164 WeakPolarHBondContact CD-OE1 3.13Å; P161-E164 HydrophobicContact CG-CG 3.94Å; P161-E164 VanDerWaalsContact CG-OE1 3.3Å; P161-E164 WeakPolarHBondContact CG-OE1 3.36Å; P161-E164 PolarHBondContact O-N 2.85Å; P161-E164 VanDerWaalsContact O-N 3.16Å; T162-E164 PolarHBondContact O-N 2.84Å
165H94.6Very high93.7Very high12 Ų1254.9 Ų54.96%0.05629%0.287CS..  trans-82.2151.6178.5-64.663.5000110.6F58 G59 C66 C156 C158 P161 T162 F163F58-H165 HydrophobicContact CD1-CB 4.13Å; F58-H165 AromaticContact CD1-CD2 3.8Å; F58-H165 HydrophobicContact CD2-CB 4.11Å; F58-H165 HydrophobicContact CE1-CB 3.47Å; F58-H165 VanDerWaalsContact CE1-CB 3.47Å; F58-H165 AromaticContact CE1-CD2 3.42Å; F58-H165 VanDerWaalsContact CE1-CD2 3.42Å; F58-H165 WeakPolarHBondContact CE1-CD2 3.41Å; F58-H165 AromaticContact CE1-CG 3.57Å; F58-H165 HydrophobicContact CE2-CB 3.46Å; F58-H165 VanDerWaalsContact CE2-CB 3.46Å; F58-H165 HydrophobicContact CG-CB 4.43Å; F58-H165 HydrophobicContact CZ-CB 3.11Å; F58-H165 AromaticContact CZ-CG 3.71Å; G59-H165 CarbonylContact O-C 3.5Å; G59-H165 VanDerWaalsContact O-CA 3.27Å; G59-H165 WeakPolarHBondContact O-CA 3.44Å; C66-H165 PolarHBondContact SG-NE2 3.43Å; C66-H165 VanDerWaalsContact SG-NE2 3.38Å; C156-H165 VanDerWaalsContact CB-CE1 3.5Å; C156-H165 WeakPolarHBondContact CB-CE1 3.33Å; C158-H165 VanDerWaalsContact SG-CE1 3.5Å; C158-H165 PolarHBondContact SG-NE2 3.38Å; P161-H165 PolarHBondContact O-ND1 2.82Å; T162-H165 WeakPolarHBondContact O-CB 3.45Å; T162-H165 PolarHBondContact O-N 3.11Å; F163-H165 VanDerWaalsContact C-N 3.31Å
166R94.1Very high93.7Very high171 Ų17155.7 Ų55.765%0.64529%0.288SS*.EExtended strand (participates in β ladder)trans-132.3150.5172.3-58.9-173.4-175.5-174-0.2108.9F58 G59 P61 L168F58-R166 WeakPolarHBondContact CA-O 3.42Å; G59-R166 PolarHBondContact N-O 3.48Å; G59-R166 VanDerWaalsContact N-O 3.15Å; G59-R166 PolarHBondContact O-N 2.94Å; P61-R166 HydrophobicContact CG-CB 4.31Å; P61-R166 HydrophobicContact CG-CG 4.01Å; R166-L168 PolarHBondContact O-N 3.23Å
167T95.9Very high93.8Very high24 Ų2459.1 Ų59.115%0.14732%0.317CS..EExtended strand (participates in β ladder)trans-71.2114.5160.2-61.80000107.7V56 S57 Y111 Y113 V169V56-T167 HydrophobicContact CG1-CG2 3.67Å; S57-T167 CarbonylContact O-C 3.5Å; S57-T167 VanDerWaalsContact O-CA 3.3Å; S57-T167 WeakPolarHBondContact O-CA 3.34Å; Y111-T167 HydrophobicContact CD1-CG2 3.82Å; Y111-T167 HydrophobicContact CE1-CG2 4.21Å; Y113-T167 PolarHBondContact N-OG1 3.23Å; T167-V169 HydrophobicContact CG2-CG2 4.34Å
168L96Very high94Very high32 Ų3259.8 Ų59.817%0.16831%0.306CS..EExtended strand (participates in β ladder)trans-91.2132.8174.5-59.1174.4000108.2V56 S57 P61 R166V56-L168 VanDerWaalsContact CA-O 3.29Å; V56-L168 WeakPolarHBondContact CA-O 3.34Å; V56-L168 WeakPolarHBondContact CG1-O 3.29Å; S57-L168 PolarHBondContact N-O 3.22Å; S57-L168 PolarHBondContact O-N 3.09Å; P61-L168 HydrophobicContact CG-CD2 4.48Å; R166-L168 PolarHBondContact O-N 3.23Å
169V97Very high94Very high16 Ų1661 Ų6110%0.09733%0.326CS..EExtended strand (participates in β ladder)trans-123.3111.8175.6-176.60000106.8L54 V56 I97 L99 T167L54-V169 HydrophobicContact CB-CG1 4.35Å; L54-V169 HydrophobicContact CD1-CG1 3.94Å; V56-V169 HydrophobicContact CG1-CG2 4.25Å; V56-V169 HydrophobicContact CG2-CG1 4.15Å; V56-V169 HydrophobicContact CG2-CG2 4.26Å; I97-V169 HydrophobicContact CB-CB 4.43Å; I97-V169 HydrophobicContact CB-CG1 3.87Å; I97-V169 HydrophobicContact CD1-CG1 4.3Å; I97-V169 HydrophobicContact CG2-CG1 4.4Å; L99-V169 HydrophobicContact CD1-CG1 4.05Å; L99-V169 HydrophobicContact CD1-CG2 3.76Å; L99-V169 HydrophobicContact CD2-CG1 4.11Å; L99-V169 HydrophobicContact CG-CG1 4.28Å; L99-V169 HydrophobicContact CG-CG2 4.16Å; T167-V169 HydrophobicContact CG2-CG2 4.34Å
170E96.6Very high94Very high21 Ų2160.6 Ų60.610%0.09831%0.309CS..EExtended strand (participates in β ladder)trans-123.4145.9-171.5-60.5174.9120.900110.9L54 Y55 E174 R175 R178L54-E170 CarbonylContact C-O 3.58Å; L54-E170 WeakPolarHBondContact CA-O 3.49Å; Y55-E170 PolarHBondContact N-O 3.16Å; Y55-E170 PolarHBondContact O-N 3.32Å; E170-E174 HydrophobicContact CB-CB 4.15Å; E170-R175 HydrophobicContact CB-CB 4.26Å; E170-R175 IonicContact OE2-NH1 2.9Å; E170-R175 PolarHBondContact OE2-NH1 2.91Å; E170-R178 VanDerWaalsContact CD-NH2 3.34Å; E170-R178 IonicContact OE1-CZ 3.7Å; E170-R178 IonicContact OE1-NE 3.33Å; E170-R178 PolarHBondContact OE1-NE 3.26Å; E170-R178 IonicContact OE1-NH2 2.8Å; E170-R178 PolarHBondContact OE1-NH2 3.02Å; E170-R178 IonicContact OE2-CZ 2.56Å; E170-R178 IonicContact OE2-NE 2.77Å; E170-R178 IonicContact OE2-NH2 3.3Å; E170-R178 PolarHBondContact OE2-NH2 3.06Å
171T96.6Very high94Very high16 Ų1657.9 Ų57.910%0.09831%0.308CS..EExtended strand (participates in β ladder)trans-74.1165.9160.963.10000110.8L54 I91 I97 Q173 E174 R175L54-T171 HydrophobicContact CD2-CG2 4.45Å; I91-T171 HydrophobicContact CD1-CG2 3.76Å; I91-T171 HydrophobicContact CG2-CG2 3.85Å; I97-T171 HydrophobicContact CD1-CG2 4.46Å; T171-Q173 PolarHBondContact O-N 3Å; T171-E174 WeakPolarHBondContact CB-OE2 3.35Å; T171-E174 WeakPolarHBondContact CG2-OE2 3.47Å; T171-E174 PolarHBondContact N-OE2 3.18Å; T171-E174 PolarHBondContact O-N 3.25Å; T171-E174 VanDerWaalsContact OG1-CD 3.28Å; T171-E174 VanDerWaalsContact OG1-CG 3.31Å; T171-E174 WeakPolarHBondContact OG1-CG 3.34Å; T171-E174 PolarHBondContact OG1-N 2.91Å; T171-E174 PolarHBondContact OG1-OE2 3.21Å; T171-R175 WeakPolarHBondContact O-CB 3.42Å; T171-R175 PolarHBondContact O-N 3.43Å
172K95.6Very high94.1Very high62 Ų6257.8 Ų57.827%0.2731%0.307SS..Hα-helixtrans-53.8-41.7173.7-166.4169-177.6166.20112.2Y55 L176 V182 D185Y55-K172 HydrophobicContact CE2-CB 3.79Å; Y55-K172 HydrophobicContact CE2-CG 4.05Å; K172-L176 HydrophobicContact CG-CD1 4.32Å; K172-L176 WeakPolarHBondContact O-CB 3.38Å; K172-L176 VanDerWaalsContact O-CG 3.27Å; K172-L176 WeakPolarHBondContact O-CG 3.43Å; K172-L176 PolarHBondContact O-N 3.23Å; K172-V182 HydrophobicContact CG-CB 4.4Å; K172-V182 HydrophobicContact CG-CG1 4.03Å; K172-D185 VanDerWaalsContact NZ-CG 3.26Å; K172-D185 IonicContact NZ-OD1 3.5Å; K172-D185 PolarHBondContact NZ-OD1 3.34Å; K172-D185 IonicContact NZ-OD2 3.51Å; K172-D185 PolarHBondContact NZ-OD2 3.28Å
173Q95.6Very high94.1Very high164 Ų16458.9 Ų58.977%0.76632%0.321SS*.Hα-helixtrans-67.9-47.2-179.5-68.9179.9-10.800112.2T171 R175 L176 A177T171-Q173 PolarHBondContact O-N 3Å; Q173-R175 VanDerWaalsContact C-N 3.29Å; Q173-R175 PolarHBondContact O-N 3.4Å; Q173-L176 PolarHBondContact O-N 2.82Å; Q173-A177 WeakPolarHBondContact O-CB 3.35Å; Q173-A177 PolarHBondContact O-N 3.33Å
174E95.5Very high94.2Very high62 Ų6262.2 Ų62.229%0.2934%0.335SS..Hα-helixtrans-60.6-41177.3-71.8160.8156.800111.3R95 E170 T171 A177 R178R95-E174 IonicContact CZ-OE1 3.38Å; R95-E174 IonicContact NE-OE1 2.87Å; R95-E174 PolarHBondContact NE-OE1 3.06Å; R95-E174 IonicContact NE-OE2 2.67Å; R95-E174 IonicContact NH2-OE1 2.97Å; R95-E174 PolarHBondContact NH2-OE1 3.27Å; R95-E174 IonicContact NH2-OE2 3.7Å; E170-E174 HydrophobicContact CB-CB 4.15Å; T171-E174 WeakPolarHBondContact CB-OE2 3.35Å; T171-E174 WeakPolarHBondContact CG2-OE2 3.47Å; T171-E174 PolarHBondContact N-OE2 3.18Å; T171-E174 PolarHBondContact O-N 3.25Å; T171-E174 VanDerWaalsContact OG1-CD 3.28Å; T171-E174 VanDerWaalsContact OG1-CG 3.31Å; T171-E174 WeakPolarHBondContact OG1-CG 3.34Å; T171-E174 PolarHBondContact OG1-N 2.91Å; T171-E174 PolarHBondContact OG1-OE2 3.21Å; E174-A177 WeakPolarHBondContact O-CB 3.42Å; E174-A177 PolarHBondContact O-N 3.04Å; E174-R178 PolarHBondContact O-N 3.46Å; E174-R178 VanDerWaalsContact O-N 3.08Å
175R95.1Very high94Very high1 Ų163.1 Ų63.10%0.00434%0.341CS..Hα-helixtrans-65.6-42.6178.3-171.2167.3-175.282.37.4113Y55 D65 E170 T171 Q173 A177 R178 G179 Q180 P181 V182Y55-R175 HydrophobicContact CD2-CB 4.48Å; Y55-R175 HydrophobicContact CG-CG 4.48Å; D65-R175 IonicContact OD2-CZ 2.79Å; D65-R175 VanDerWaalsContact OD2-CZ 3.3Å; D65-R175 IonicContact OD2-NH1 3.96Å; D65-R175 PolarHBondContact OD2-NH1 2.67Å; D65-R175 IonicContact OD2-NH2 3.35Å; D65-R175 PolarHBondContact OD2-NH2 3.32Å; E170-R175 HydrophobicContact CB-CB 4.26Å; E170-R175 IonicContact OE2-NH1 2.9Å; E170-R175 PolarHBondContact OE2-NH1 2.91Å; T171-R175 WeakPolarHBondContact O-CB 3.42Å; T171-R175 PolarHBondContact O-N 3.43Å; Q173-R175 VanDerWaalsContact C-N 3.29Å; Q173-R175 PolarHBondContact O-N 3.4Å; R175-A177 VanDerWaalsContact C-N 3.34Å; R175-R178 PolarHBondContact O-N 3.28Å; R175-G179 PolarHBondContact O-N 3.41Å; R175-Q180 HydrophobicContact CG-CB 3.6Å; R175-Q180 PolarHBondContact O-N 2.78Å; R175-P181 PolarHBondContact NE-O 3.01Å; R175-V182 HydrophobicContact CB-CG1 4.32Å; R175-V182 HydrophobicContact CG-CG1 4.21Å
176L95.4Very high93.8Very high96 Ų9664.3 Ų64.350%0.50335%0.35SS..Hα-helixtrans-63.5-40.6174.1-74169.9000111.5K172 Q173 R178 G179 V182K172-L176 HydrophobicContact CG-CD1 4.32Å; K172-L176 WeakPolarHBondContact O-CB 3.38Å; K172-L176 VanDerWaalsContact O-CG 3.27Å; K172-L176 WeakPolarHBondContact O-CG 3.43Å; K172-L176 PolarHBondContact O-N 3.23Å; Q173-L176 PolarHBondContact O-N 2.82Å; L176-R178 PolarHBondContact O-N 3.35Å; L176-G179 WeakPolarHBondContact O-CA 2.97Å; L176-G179 PolarHBondContact O-N 3.4Å; L176-V182 HydrophobicContact CD2-CG1 3.83Å; L176-V182 HydrophobicContact CD2-CG2 4Å; L176-V182 HydrophobicContact CG-CG1 3.82Å
177A95.1Very high93.7Very high91 Ų9157.6 Ų57.675%0.75233%0.328SS*.Hα-helixtrans-62.1-30.1176.300000112.4Q173 E174 R175 G179Q173-A177 WeakPolarHBondContact O-CB 3.35Å; Q173-A177 PolarHBondContact O-N 3.33Å; E174-A177 WeakPolarHBondContact O-CB 3.42Å; E174-A177 PolarHBondContact O-N 3.04Å; R175-A177 VanDerWaalsContact C-N 3.34Å; A177-G179 PolarHBondContact O-N 3.03Å
178R92.9Very high93.5Very high58 Ų5859.5 Ų59.522%0.21933%0.333CS..THydrogen-bonded Turntrans-812171.6-165.3164.261.499.5-2.6113.7G63 D65 E170 E174 R175 L176 Q180G63-R178 PolarHBondContact O-NH1 3.35Å; D65-R178 IonicContact OD1-CZ 3.16Å; D65-R178 VanDerWaalsContact OD1-CZ 3.31Å; D65-R178 IonicContact OD1-NH1 3.21Å; D65-R178 PolarHBondContact OD1-NH1 3.45Å; D65-R178 IonicContact OD1-NH2 2.91Å; D65-R178 PolarHBondContact OD1-NH2 3.14Å; D65-R178 IonicContact OD2-NH2 2.79Å; D65-R178 PolarHBondContact OD2-NH2 3.33Å; E170-R178 VanDerWaalsContact CD-NH2 3.34Å; E170-R178 IonicContact OE1-CZ 3.7Å; E170-R178 IonicContact OE1-NE 3.33Å; E170-R178 PolarHBondContact OE1-NE 3.26Å; E170-R178 IonicContact OE1-NH2 2.8Å; E170-R178 PolarHBondContact OE1-NH2 3.02Å; E170-R178 IonicContact OE2-CZ 2.56Å; E170-R178 IonicContact OE2-NE 2.77Å; E170-R178 IonicContact OE2-NH2 3.3Å; E170-R178 PolarHBondContact OE2-NH2 3.06Å; E174-R178 PolarHBondContact O-N 3.46Å; E174-R178 VanDerWaalsContact O-N 3.08Å; R175-R178 PolarHBondContact O-N 3.28Å; L176-R178 PolarHBondContact O-N 3.35Å; R178-Q180 HydrophobicContact CB-CG 4.3Å; R178-Q180 HydrophobicContact CG-CG 4.14Å; R178-Q180 PolarHBondContact O-N 2.68Å
179G91.4Very high93.3Very high67 Ų6758.8 Ų58.869%0.69133%0.332SS*.THydrogen-bonded Turntrans68.321.2-17900000113.9R175 L176 A177R175-G179 PolarHBondContact O-N 3.41Å; L176-G179 WeakPolarHBondContact O-CA 2.97Å; L176-G179 PolarHBondContact O-N 3.4Å; A177-G179 PolarHBondContact O-N 3.03Å
180Q91.6Very high93.1Very high46 Ų4658.4 Ų58.422%0.21533%0.33CS..  trans-93.9147.6-178.1-67.7-61.5-38.400111.6R175 R178R175-Q180 HydrophobicContact CG-CB 3.6Å; R175-Q180 PolarHBondContact O-N 2.78Å; R178-Q180 HydrophobicContact CB-CG 4.3Å; R178-Q180 HydrophobicContact CG-CG 4.14Å; R178-Q180 PolarHBondContact O-N 2.68Å
181P91.7Very high93Very high70 Ų7059.1 Ų59.146%0.45533%0.334SS..  trans-67.4141.1-177.827.6-34.6000111.1R175 T195R175-P181 PolarHBondContact NE-O 3.01Å; P181-T195 WeakPolarHBondContact O-CG2 3.3Å
182V93.4Very high92.9Very high23 Ų2358.4 Ų58.414%0.13933%0.33CS..  trans-106.2-10.2177.5-67.10000113.7Y55 K172 R175 L176 T195Y55-V182 HydrophobicContact CE1-CB 4.02Å; Y55-V182 HydrophobicContact CE1-CG1 4.28Å; Y55-V182 VanDerWaalsContact CE1-O 3.28Å; Y55-V182 WeakPolarHBondContact CE1-O 3.41Å; Y55-V182 HydrophobicContact CE2-CG1 4.41Å; Y55-V182 WeakPolarHBondContact OH-CB 3.5Å; Y55-V182 PolarHBondContact OH-O 3.21Å; Y55-V182 VanDerWaalsContact OH-O 3.06Å; K172-V182 HydrophobicContact CG-CB 4.4Å; K172-V182 HydrophobicContact CG-CG1 4.03Å; R175-V182 HydrophobicContact CB-CG1 4.32Å; R175-V182 HydrophobicContact CG-CG1 4.21Å; L176-V182 HydrophobicContact CD2-CG1 3.83Å; L176-V182 HydrophobicContact CD2-CG2 4Å; L176-V182 HydrophobicContact CG-CG1 3.82Å; V182-T195 VanDerWaalsContact C-CG2 3.47Å; V182-T195 WeakPolarHBondContact O-CG2 3.5Å
183G91.3Very high92.8Very high35 Ų3555.4 Ų55.436%0.36132%0.317SS..  trans64-168.6179.700000113.6T195G183-T195 WeakPolarHBondContact CA-O 3.38Å
184K89.9Confident92.8Very high183 Ų18349.3 Ų49.380%0.79629%0.289SS*.  trans-79.2146169.6-67.1-176.9-179.9-179.50109.9
185D89Confident92.6Very high75 Ų7547.6 Ų47.640%0.40128%0.283SS..  trans-68.9135.7172.2-66.7-33.2000109.2M50 K172M50-D185 HydrophobicContact SD-CB 3.57Å; M50-D185 VanDerWaalsContact SD-CB 3.57Å; K172-D185 VanDerWaalsContact NZ-CG 3.26Å; K172-D185 IonicContact NZ-OD1 3.5Å; K172-D185 PolarHBondContact NZ-OD1 3.34Å; K172-D185 IonicContact NZ-OD2 3.51Å; K172-D185 PolarHBondContact NZ-OD2 3.28Å
186V90.1Very high92.3Very high38 Ų3849.4 Ų49.423%0.2330%0.302CS..  trans-138148.6-172.4-70.30000110.8M50 Y188 M191M50-V186 VanDerWaalsContact CE-C 3.47Å; M50-V186 WeakPolarHBondContact CE-O 3.5Å; V186-Y188 VanDerWaalsContact C-N 3.27Å; V186-Y188 HydrophobicContact CB-CD2 4.11Å; V186-Y188 HydrophobicContact CB-CE2 4.39Å; V186-Y188 HydrophobicContact CG2-CD2 4.38Å; V186-Y188 PolarHBondContact O-N 3.29Å; V186-M191 HydrophobicContact CG2-CB 4.42Å; V186-M191 HydrophobicContact CG2-CE 4.05Å; V186-M191 HydrophobicContact CG2-CG 3.71Å; V186-M191 HydrophobicContact CG2-SD 4.43Å
187P91.5Very high91.9Very high30 Ų3053.9 Ų53.920%0.19532%0.318CS..  trans-80.8-2.7-17331.6-35.7000114.5I23 L46 R49 M50I23-P187 HydrophobicContact CD1-CB 4.14Å; I23-P187 HydrophobicContact CD1-CG 4.09Å; I23-P187 HydrophobicContact CG1-CB 4.2Å; I23-P187 HydrophobicContact CG1-CG 4.24Å; L46-P187 HydrophobicContact CD1-CB 4.36Å; L46-P187 HydrophobicContact CD2-CB 3.25Å; L46-P187 WeakPolarHBondContact CD2-O 3.48Å; L46-P187 HydrophobicContact CG-CB 4.4Å; R49-P187 WeakPolarHBondContact CD-O 3.35Å; R49-P187 PolarHBondContact NH1-O 3.08Å; M50-P187 HydrophobicContact CE-CB 4.19Å
188Y93.3Very high91.5Very high63 Ų6352.4 Ų52.425%0.24730%0.299CS..  trans-80145.7-165.4-49.8-41.5000113.5R22 I23 V186 M191R22-Y188 HydrophobicContact CB-CD1 3.51Å; R22-Y188 HydrophobicContact CB-CE1 3.96Å; R22-Y188 HydrophobicContact CB-CG 3.96Å; R22-Y188 CarbonylContact O-C 3.56Å; R22-Y188 WeakPolarHBondContact O-CA 3.44Å; R22-Y188 WeakPolarHBondContact O-CB 3.5Å; I23-Y188 HydrophobicContact CG1-CD1 3.84Å; I23-Y188 HydrophobicContact CG1-CE1 4.2Å; V186-Y188 VanDerWaalsContact C-N 3.27Å; V186-Y188 HydrophobicContact CB-CD2 4.11Å; V186-Y188 HydrophobicContact CB-CE2 4.39Å; V186-Y188 HydrophobicContact CG2-CD2 4.38Å; V186-Y188 PolarHBondContact O-N 3.29Å; Y188-M191 HydrophobicContact CD2-CG 4.5Å; Y188-M191 HydrophobicContact CD2-SD 3.9Å; Y188-M191 HydrophobicContact CG-SD 4.35Å
189A91.7Very high91.3Very high17 Ų1750 Ų5014%0.1429%0.292CS..THydrogen-bonded Turntrans-66.8140.6177.900000111.1R22 M191R22-A189 PolarHBondContact O-N 2.76Å; A189-M191 VanDerWaalsContact C-N 3.26Å; A189-M191 PolarHBondContact O-N 3.29Å; A189-M191 VanDerWaalsContact O-N 3.13Å
190A93Very high91.2Very high8 Ų851.7 Ų51.77%0.06629%0.285CS..THydrogen-bonded Turntrans51.538.2171.200000115.1P71 Y81 K82 T86 G192P71-A190 WeakPolarHBondContact CD-O 3.47Å; P71-A190 VanDerWaalsContact CG-O 3.29Å; P71-A190 WeakPolarHBondContact CG-O 3.43Å; Y81-A190 HydrophobicContact CD1-CB 3.89Å; Y81-A190 WeakPolarHBondContact CD1-O 3.41Å; Y81-A190 HydrophobicContact CE1-CB 3.93Å; Y81-A190 WeakPolarHBondContact CE1-O 3.44Å; K82-A190 VanDerWaalsContact CA-CB 3.48Å; K82-A190 HydrophobicContact CB-CB 3.7Å; T86-A190 HydrophobicContact CG2-CB 4.34Å; A190-G192 PolarHBondContact O-N 3.1Å
191M93.9Very high90.9Very high36 Ų3652.9 Ų52.918%0.17729%0.292CS..  trans-61.3-25.5179.4-80.3-62.4-66.600114.4V186 Y188 A189 G193 L194V186-M191 HydrophobicContact CG2-CB 4.42Å; V186-M191 HydrophobicContact CG2-CE 4.05Å; V186-M191 HydrophobicContact CG2-CG 3.71Å; V186-M191 HydrophobicContact CG2-SD 4.43Å; Y188-M191 HydrophobicContact CD2-CG 4.5Å; Y188-M191 HydrophobicContact CD2-SD 3.9Å; Y188-M191 HydrophobicContact CG-SD 4.35Å; A189-M191 VanDerWaalsContact C-N 3.26Å; A189-M191 PolarHBondContact O-N 3.29Å; A189-M191 VanDerWaalsContact O-N 3.13Å; M191-G193 PolarHBondContact O-N 2.9Å; M191-L194 HydrophobicContact CE-CB 3.78Å; M191-L194 HydrophobicContact CE-CD1 4.41Å; M191-L194 WeakPolarHBondContact O-CB 3.41Å; M191-L194 PolarHBondContact O-N 3.38Å; M191-L194 VanDerWaalsContact O-N 3.16Å
192G94Very high90.5Very high1 Ų153.2 Ų53.21%0.0129%0.29CS..THydrogen-bonded Turntrans53.5-132.8179.300000111.7R53 L54 I69 A190 L194R53-G192 PolarHBondContact NE-O 3.34Å; R53-G192 PolarHBondContact NH2-O 3.32Å; L54-G192 CarbonylContact O-C 3.52Å; L54-G192 WeakPolarHBondContact O-CA 3.31Å; I69-G192 CarbonylContact O-C 3.55Å; I69-G192 WeakPolarHBondContact O-CA 3.25Å; A190-G192 PolarHBondContact O-N 3.1Å; G192-L194 VanDerWaalsContact C-N 3.31Å; G192-L194 PolarHBondContact O-N 3.46Å
193G94.1Very high89.7Confident0 Ų052.4 Ų52.40%029%0.286CS..THydrogen-bonded Turntrans-791.6-17900000115.8V56 Q68 I69 M191 T195V56-G193 WeakPolarHBondContact O-CA 3.24Å; V56-G193 PolarHBondContact O-N 2.86Å; Q68-G193 PolarHBondContact NE2-O 3.37Å; I69-G193 PolarHBondContact O-N 3.03Å; M191-G193 PolarHBondContact O-N 2.9Å; G193-T195 PolarHBondContact O-N 3.24Å
194L94.2Very high89.1Confident35 Ų3555 Ų5518%0.18329%0.286CS..  trans-73.2111-176.6-62-175000112.2R53 Q68 M191 G192 S199 L200R53-L194 PolarHBondContact NH2-O 2.76Å; Q68-L194 HydrophobicContact CB-CD2 4.31Å; M191-L194 HydrophobicContact CE-CB 3.78Å; M191-L194 HydrophobicContact CE-CD1 4.41Å; M191-L194 WeakPolarHBondContact O-CB 3.41Å; M191-L194 PolarHBondContact O-N 3.38Å; M191-L194 VanDerWaalsContact O-N 3.16Å; G192-L194 VanDerWaalsContact C-N 3.31Å; G192-L194 PolarHBondContact O-N 3.46Å; L194-S199 WeakPolarHBondContact CA-OG 3.39Å; L194-L200 HydrophobicContact CD2-CD2 3.88Å
195T92Very high88.7Confident27 Ų2749.1 Ų49.117%0.16626%0.263CS..  trans-117.9-5.6-174.4540000114.4Y55 P181 V182 G183 G193 S199Y55-T195 HydrophobicContact CD1-CG2 4.16Å; Y55-T195 HydrophobicContact CE1-CG2 3.91Å; P181-T195 WeakPolarHBondContact O-CG2 3.3Å; V182-T195 VanDerWaalsContact C-CG2 3.47Å; V182-T195 WeakPolarHBondContact O-CG2 3.5Å; G183-T195 WeakPolarHBondContact CA-O 3.38Å; G193-T195 PolarHBondContact O-N 3.24Å; T195-S199 PolarHBondContact N-OG 2.98Å; T195-S199 VanDerWaalsContact N-OG 3.13Å
196G89.4Confident88.2Confident39 Ų3946.3 Ų46.340%0.40225%0.25SC..SBendtrans165.2-176.818000000111.3T198 S199G196-T198 VanDerWaalsContact C-N 3.3Å; G196-T198 PolarHBondContact O-N 2.9Å; G196-S199 PolarHBondContact N-OG 2.85Å; G196-S199 WeakPolarHBondContact O-CB 3.45Å; G196-S199 PolarHBondContact O-N 3.13Å; G196-S199 VanDerWaalsContact O-N 3.09Å; G196-S199 PolarHBondContact O-OG 3.15Å
197F86.3Confident87.3Confident190 Ų19047.9 Ų47.983%0.83326%0.256SS*.G310 helixtrans-61-36.3-178.8-77.7-77000113.6S199 L200F197-S199 PolarHBondContact O-N 3.14Å; F197-L200 HydrophobicContact CD1-CD1 4.19Å; F197-L200 WeakPolarHBondContact O-CB 3.35Å; F197-L200 PolarHBondContact O-N 2.76Å
198T86.6Confident86.5Confident59 Ų5952.1 Ų52.136%0.36227%0.273SS..G310 helixtrans-62.1-27.3176.950.80000112.8G196 L200 L201 V209G196-T198 VanDerWaalsContact C-N 3.3Å; G196-T198 PolarHBondContact O-N 2.9Å; T198-L200 PolarHBondContact O-N 2.73Å; T198-L201 WeakPolarHBondContact O-CB 3.37Å; T198-L201 PolarHBondContact O-N 3.41Å; T198-V209 HydrophobicContact CG2-CG1 4.49Å
199S89.3Confident85.5Confident9 Ų952.9 Ų52.96%0.06328%0.284CS..G310 helixtrans-68.7-13.3176.574.70000113.6Q68 L194 T195 G196 F197Q68-S199 WeakPolarHBondContact CB-O 3.23Å; Q68-S199 WeakPolarHBondContact CG-O 3.42Å; L194-S199 WeakPolarHBondContact CA-OG 3.39Å; T195-S199 PolarHBondContact N-OG 2.98Å; T195-S199 VanDerWaalsContact N-OG 3.13Å; G196-S199 PolarHBondContact N-OG 2.85Å; G196-S199 WeakPolarHBondContact O-CB 3.45Å; G196-S199 PolarHBondContact O-N 3.13Å; G196-S199 VanDerWaalsContact O-N 3.09Å; G196-S199 PolarHBondContact O-OG 3.15Å; F197-S199 PolarHBondContact O-N 3.14Å
200L88.7Confident84.4Confident102 Ų10257 Ų5753%0.53430%0.303SS..G310 helixtrans-81.4-22.3176.1-58.5177.3000112.7L194 F197 T198L194-L200 HydrophobicContact CD2-CD2 3.88Å; F197-L200 HydrophobicContact CD1-CD1 4.19Å; F197-L200 WeakPolarHBondContact O-CB 3.35Å; F197-L200 PolarHBondContact O-N 2.76Å; T198-L200 PolarHBondContact O-N 2.73Å
201L86.1Confident83.3Confident71 Ų7162.6 Ų62.637%0.37233%0.332SS..SBendtrans-70.9155176.9-59176.5000110.5T198 L205 A206 V209T198-L201 WeakPolarHBondContact O-CB 3.37Å; T198-L201 PolarHBondContact O-N 3.41Å; L201-L205 HydrophobicContact CB-CB 4.4Å; L201-A206 HydrophobicContact CB-CB 4.28Å; L201-V209 HydrophobicContact CD1-CG2 4.16Å
202D82.6Confident81.7Confident76 Ų7665.2 Ų65.241%0.40636%0.359SS..  trans-64.6141.8166.7-71.6-14000109.5K67 Y204 L205 A206K67-D202 IonicContact NZ-OD1 3.08Å; D202-Y204 VanDerWaalsContact C-N 3.27Å; D202-Y204 HydrophobicContact CB-CD1 4.09Å; D202-Y204 HydrophobicContact CB-CE1 3.95Å; D202-Y204 PolarHBondContact O-N 3.42Å; D202-Y204 VanDerWaalsContact O-N 3.1Å; D202-L205 HydrophobicContact CB-CD1 4.45Å; D202-L205 WeakPolarHBondContact O-CA 3.42Å; D202-L205 WeakPolarHBondContact O-CB 3.26Å; D202-L205 PolarHBondContact O-N 3.07Å; D202-A206 PolarHBondContact O-N 3.08Å
203G76.9Confident79.6Confident6 Ų671 Ų716%0.06242%0.419CS..Hα-helixtrans-56.8-36.7-164.600000115D65 C66 L205 A206 M207D65-G203 WeakPolarHBondContact O-CA 3.23Å; C66-G203 PolarHBondContact O-N 2.8Å; G203-L205 VanDerWaalsContact C-N 3.32Å; G203-L205 PolarHBondContact O-N 2.95Å; G203-A206 PolarHBondContact O-N 3.37Å; G203-M207 WeakPolarHBondContact O-CG 3.49Å; G203-M207 PolarHBondContact O-N 3.47Å
204Y79.2Confident78.9Confident91 Ų9174.6 Ų74.636%0.35744%0.44SS..Hα-helixtrans-66.8-34.617880.8-87.3000112.2D202 Q208D202-Y204 VanDerWaalsContact C-N 3.27Å; D202-Y204 HydrophobicContact CB-CD1 4.09Å; D202-Y204 HydrophobicContact CB-CE1 3.95Å; D202-Y204 PolarHBondContact O-N 3.42Å; D202-Y204 VanDerWaalsContact O-N 3.1Å; Y204-Q208 WeakPolarHBondContact O-CG 3.4Å; Y204-Q208 PolarHBondContact O-N 3.1Å
205L81.6Confident78.1Confident59 Ų5976.7 Ų76.731%0.30945%0.454SS..Hα-helixtrans-71.9-40.5174.4-64.1172.3000110.8L201 D202 G203 M207 Q208 V209L201-L205 HydrophobicContact CB-CB 4.4Å; D202-L205 HydrophobicContact CB-CD1 4.45Å; D202-L205 WeakPolarHBondContact O-CA 3.42Å; D202-L205 WeakPolarHBondContact O-CB 3.26Å; D202-L205 PolarHBondContact O-N 3.07Å; G203-L205 VanDerWaalsContact C-N 3.32Å; G203-L205 PolarHBondContact O-N 2.95Å; L205-M207 VanDerWaalsContact C-N 3.3Å; L205-M207 PolarHBondContact O-N 3.3Å; L205-Q208 WeakPolarHBondContact O-CB 3.45Å; L205-Q208 PolarHBondContact O-N 3.08Å; L205-Q208 VanDerWaalsContact O-N 3.14Å; L205-V209 WeakPolarHBondContact O-CG2 3.25Å; L205-V209 PolarHBondContact O-N 3.31Å; L205-V209 VanDerWaalsContact O-N 3.08Å
206A77.8Confident77.3Confident16 Ų1679.4 Ų79.413%0.13247%0.47CS..Hα-helixtrans-59.2-42.2176.600000111.6L201 D202 G203 Q208 V209 L210L201-A206 HydrophobicContact CB-CB 4.28Å; D202-A206 PolarHBondContact O-N 3.08Å; G203-A206 PolarHBondContact O-N 3.37Å; A206-Q208 VanDerWaalsContact C-N 3.33Å; A206-Q208 PolarHBondContact O-N 3.44Å; A206-V209 PolarHBondContact O-N 3.12Å; A206-L210 WeakPolarHBondContact O-CG 3.44Å; A206-L210 PolarHBondContact O-N 3.31Å
207M71.1Confident76.6Confident71 Ų7181.8 Ų81.835%0.3547%0.474SS..Hα-helixtrans-61.1-39.7174.9-71.2-66-6300112.6I64 G203 L205 L210 N211I64-M207 HydrophobicContact CB-CG 4.4Å; I64-M207 HydrophobicContact CD1-CG 4.34Å; I64-M207 HydrophobicContact CG2-CE 4.21Å; I64-M207 HydrophobicContact CG2-CG 3.93Å; I64-M207 HydrophobicContact CG2-SD 3.98Å; G203-M207 WeakPolarHBondContact O-CG 3.49Å; G203-M207 PolarHBondContact O-N 3.47Å; L205-M207 VanDerWaalsContact C-N 3.3Å; L205-M207 PolarHBondContact O-N 3.3Å; M207-L210 PolarHBondContact O-N 3.1Å; M207-N211 WeakPolarHBondContact O-CB 3.47Å; M207-N211 PolarHBondContact O-N 2.83Å; M207-N211 PolarHBondContact O-ND2 3.47Å
208Q74.5Confident76Confident119 Ų11975.1 Ų75.156%0.55645%0.451SS*.Hα-helixtrans-64.1-41.7176.9-71.1174.1-900111.8Y204 L205 A206 N211 A212Y204-Q208 WeakPolarHBondContact O-CG 3.4Å; Y204-Q208 PolarHBondContact O-N 3.1Å; L205-Q208 WeakPolarHBondContact O-CB 3.45Å; L205-Q208 PolarHBondContact O-N 3.08Å; L205-Q208 VanDerWaalsContact O-N 3.14Å; A206-Q208 VanDerWaalsContact C-N 3.33Å; A206-Q208 PolarHBondContact O-N 3.44Å; Q208-N211 PolarHBondContact O-N 3.04Å; Q208-A212 WeakPolarHBondContact O-CB 3.42Å; Q208-A212 PolarHBondContact O-N 3.25Å
209V73.3Confident75.2Confident79 Ų7976.1 Ų76.148%0.47946%0.457SS..Hα-helixtrans-64.9-42177174.50000111.4T198 L201 L205 A206 N211 A212T198-V209 HydrophobicContact CG2-CG1 4.49Å; L201-V209 HydrophobicContact CD1-CG2 4.16Å; L205-V209 WeakPolarHBondContact O-CG2 3.25Å; L205-V209 PolarHBondContact O-N 3.31Å; L205-V209 VanDerWaalsContact O-N 3.08Å; A206-V209 PolarHBondContact O-N 3.12Å; V209-N211 VanDerWaalsContact C-N 3.35Å; V209-A212 PolarHBondContact O-N 2.83Å
210L68.5Low74.2Confident102 Ų10280.9 Ų80.953%0.53449%0.485SS..Hα-helixtrans-69-31179.8-69.5172.6000113.3A206 M207 A212A206-L210 WeakPolarHBondContact O-CG 3.44Å; A206-L210 PolarHBondContact O-N 3.31Å; M207-L210 PolarHBondContact O-N 3.1Å; L210-A212 VanDerWaalsContact C-N 3.32Å
211N68.3Low73.1Confident127 Ų12779.3 Ų79.368%0.67948%0.481SS*.Hα-helixtrans-82-11.2177.8-69-16.9000113.4M207 Q208 V209M207-N211 WeakPolarHBondContact O-CB 3.47Å; M207-N211 PolarHBondContact O-N 2.83Å; M207-N211 PolarHBondContact O-ND2 3.47Å; Q208-N211 PolarHBondContact O-N 3.04Å; V209-N211 VanDerWaalsContact C-N 3.35Å
212A61.6Low72.1Confident90 Ų9080 Ų8074%0.74449%0.491SS*.THydrogen-bonded Turntrans-96.5-2.5-178.200000113.7Q208 V209 L210Q208-A212 WeakPolarHBondContact O-CB 3.42Å; Q208-A212 PolarHBondContact O-N 3.25Å; V209-A212 PolarHBondContact O-N 2.83Å; L210-A212 VanDerWaalsContact C-N 3.32Å
213G49.3Very low71.1Confident124 Ų12480.4 Ų80.4100%1.27850%0.498SS*.  trans-114.70175.100000111.6

Retrieved 213 of 213 residues in 213.3 ms (Link to these results)

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