A0A077ZJD2_TRITR Loading...

GMP synthase [glutamine-hydrolyzing]

AlphaFold DB , UniProt , Accession A0A077ZJD2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 476 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
1M47.1Very low88.8Confident244 Ų24475.2 Ų75.2100%1.20237%0.371SS*.  0121.90-74.4176.5-173.600106.4
2T63.3Low89.6Confident132 Ų13268.9 Ų68.981%0.8134%0.341SS*.  trans-58.2137.5166.925.80000108.4N4T2-N4 PolarHBondContact O-N 3.24Å
3E86.5Confident90.3Very high100 Ų10063.6 Ų63.647%0.46731%0.314SS..  trans-61.5124.7176.8-176.2178.6-123.200109.2I5 L207 K212E3-I5 PolarHBondContact O-N 3Å; E3-L207 HydrophobicContact CG-CD1 3.74Å; E3-K212 WeakPolarHBondContact OE2-CE 3.15Å; E3-K212 IonicContact OE2-NZ 3.92Å; E3-K212 PolarHBondContact OE2-NZ 3.05Å
4N93.5Very high90.8Very high92 Ų9262 Ų6249%0.49231%0.308SS..  trans-80.9102.9-176.8-176.4-43.3000109.8T2 H6 K7T2-N4 PolarHBondContact O-N 3.24Å; N4-H6 PolarHBondContact O-N 3.48Å; N4-H6 WeakPolarHBondContact OD1-CA 3.33Å; N4-H6 WeakPolarHBondContact OD1-CB 3.26Å; N4-H6 PolarHBondContact OD1-N 2.88Å; N4-K7 HydrophobicContact CB-CB 4.34Å; N4-K7 VanDerWaalsContact O-CB 3.28Å; N4-K7 WeakPolarHBondContact O-CB 3.18Å; N4-K7 PolarHBondContact O-N 3.27Å; N4-K7 VanDerWaalsContact O-N 3.14Å; N4-K7 PolarHBondContact OD1-N 3.11Å
5I97.4Very high91.2Very high8 Ų858.2 Ų58.24%0.04129%0.288CS..THydrogen-bonded Turntrans-68.6-16.8-178.664.5175.5000113.9E3 L207 W208 K212 I213 D216E3-I5 PolarHBondContact O-N 3Å; I5-L207 HydrophobicContact CB-CB 4.4Å; I5-L207 HydrophobicContact CG2-CB 4.15Å; I5-W208 HydrophobicContact CB-CE3 4.27Å; I5-W208 HydrophobicContact CD1-CE3 3.75Å; I5-W208 HydrophobicContact CD1-CZ3 3.65Å; I5-W208 HydrophobicContact CG1-CE3 3.9Å; I5-W208 HydrophobicContact CG1-CZ3 3.83Å; I5-K212 HydrophobicContact CG2-CB 3.71Å; I5-K212 HydrophobicContact CG2-CD 4.09Å; I5-K212 HydrophobicContact CG2-CG 4.46Å; I5-I213 HydrophobicContact CD1-CG1 4.1Å; I5-D216 HydrophobicContact CD1-CB 3.63Å; I5-D216 HydrophobicContact CG1-CB 4.26Å
6H97Very high91.3Very high20 Ų2057.4 Ų57.49%0.09330%0.3CS..THydrogen-bonded Turntrans-89.4-2.2175.1-5674.6000112.5N4 R9 Y33 W208 D216 E378N4-H6 PolarHBondContact O-N 3.48Å; N4-H6 WeakPolarHBondContact OD1-CA 3.33Å; N4-H6 WeakPolarHBondContact OD1-CB 3.26Å; N4-H6 PolarHBondContact OD1-N 2.88Å; H6-R9 PolarHBondContact O-NE 3.16Å; H6-R9 PolarHBondContact O-NH2 2.88Å; H6-Y33 HydrophobicContact CB-CD1 4.29Å; H6-Y33 AromaticContact CD2-CD1 3.88Å; H6-Y33 AromaticContact CD2-CE1 3.75Å; H6-Y33 AromaticContact CD2-CE2 3.84Å; H6-Y33 AromaticContact CD2-CZ 3.71Å; H6-W208 AromaticContact CD2-CZ3 3.73Å; H6-W208 AromaticContact CE1-CZ3 3.63Å; H6-W208 AromaticContact NE2-CH2 3.6Å; H6-W208 AromaticContact NE2-CZ3 3.44Å; H6-W208 WeakPolarHBondContact NE2-CZ3 3.48Å; H6-D216 IonicContact CE1-OD1 2.77Å; H6-D216 IonicContact CE1-OD2 3.75Å; H6-D216 PolarHBondContact CE1-OD2 3.44Å; H6-E378 IonicContact CD2-OE2 2.72Å; H6-E378 IonicContact CE1-OE2 3.61Å; H6-E378 IonicContact NE2-OE2 3.32Å; H6-E378 PolarHBondContact NE2-OE2 2.91Å
7K97Very high91.3Very high136 Ų13655.1 Ų55.159%0.59129%0.29SS*.SBendtrans-60.7-49.3-175.1-179.1-172.5171.4-1640111.9N4N4-K7 HydrophobicContact CB-CB 4.34Å; N4-K7 VanDerWaalsContact O-CB 3.28Å; N4-K7 WeakPolarHBondContact O-CB 3.18Å; N4-K7 PolarHBondContact O-N 3.27Å; N4-K7 VanDerWaalsContact O-N 3.14Å; N4-K7 PolarHBondContact OD1-N 3.11Å
8H98.3Very high91.2Very high37 Ų3760.9 Ų60.917%0.17132%0.315CS..SBendtrans-89.6117.5172.6-64.4140.7000108.6C204 E205H8-C204 HydrophobicContact CB-CB 3.95Å; H8-E205 IonicContact CE1-OE2 2.9Å; H8-E205 PolarHBondContact CE1-OE2 3.18Å; H8-E205 PolarHBondContact ND1-N 3.15Å; H8-E205 VanDerWaalsContact ND1-N 3.17Å; H8-E205 IonicContact ND1-OE2 3.11Å
9R98.6Very high91.3Very high58 Ų5860.8 Ų60.822%0.21931%0.311CS..EExtended strand (participates in β ladder)trans-142.9139.5-17365.3-176.374.4169.8-9.8112.2H6 Y33 F49 S52H6-R9 PolarHBondContact O-NE 3.16Å; H6-R9 PolarHBondContact O-NH2 2.88Å; R9-Y33 VanDerWaalsContact CA-O 3.3Å; R9-Y33 WeakPolarHBondContact CA-O 3.24Å; R9-Y33 HydrophobicContact CB-CD1 3.76Å; R9-F49 HydrophobicContact CB-CE1 4.18Å; R9-F49 HydrophobicContact CB-CZ 4.01Å; R9-F49 VanDerWaalsContact CD-CZ 3.48Å; R9-F49 VanDerWaalsContact CD-O 3.26Å; R9-F49 WeakPolarHBondContact CD-O 3.48Å; R9-F49 HydrophobicContact CG-CD1 4.28Å; R9-F49 HydrophobicContact CG-CE1 3.68Å; R9-F49 HydrophobicContact CG-CZ 3.85Å; R9-F49 PolarHBondContact NH1-O 2.96Å; R9-F49 VanDerWaalsContact NH1-O 3.14Å; R9-S52 PolarHBondContact N-OG 2.97Å; R9-S52 PolarHBondContact O-N 3.36Å
10I98.9Very high91.5Very high0 Ų057.8 Ų57.80%030%0.295CS..EExtended strand (participates in β ladder)trans-101.8133.1175.8-61.2-61.3000109.3I12 V27 V32 Y33 C34 E35 G53 I55 V198 C202I10-I12 HydrophobicContact CG2-CG1 4.07Å; I10-V27 HydrophobicContact CB-CG1 4.11Å; I10-V27 HydrophobicContact CG1-CG1 4.02Å; I10-V32 HydrophobicContact CG1-CG1 4.14Å; I10-Y33 PolarHBondContact N-O 2.85Å; I10-C34 HydrophobicContact CB-CB 3.98Å; I10-C34 WeakPolarHBondContact O-CA 3.4Å; I10-C34 VanDerWaalsContact O-CB 3.29Å; I10-C34 WeakPolarHBondContact O-CB 3.27Å; I10-E35 PolarHBondContact O-N 3.03Å; I10-E35 VanDerWaalsContact O-N 3.1Å; I10-G53 WeakPolarHBondContact CA-O 3.43Å; I10-I55 HydrophobicContact CG2-CD1 3.87Å; I10-I55 HydrophobicContact CG2-CG1 3.91Å; I10-V198 HydrophobicContact CD1-CG1 4.46Å; I10-V198 HydrophobicContact CD1-CG2 4.49Å; I10-V198 HydrophobicContact CG1-CG1 4.15Å; I10-V198 HydrophobicContact CG1-CG2 4.26Å; I10-C202 HydrophobicContact CD1-CB 4.3Å
11L98.8Very high91.7Very high0 Ų058.9 Ų58.90%030%0.299CS..EExtended strand (participates in β ladder)trans-94.4128.6169176.461000109.1L13 W37 I46 F49 P51 G53 I54 I55L11-L13 HydrophobicContact CD1-CD2 4.14Å; L11-L13 HydrophobicContact CD2-CD2 4.03Å; L11-L13 HydrophobicContact CD2-CG 4.48Å; L11-L13 HydrophobicContact CG-CD2 4Å; L11-L13 HydrophobicContact CG-CG 4.39Å; L11-W37 HydrophobicContact CD1-CB 4.25Å; L11-W37 HydrophobicContact CD1-CD2 3.51Å; L11-W37 HydrophobicContact CD1-CE3 3.58Å; L11-W37 HydrophobicContact CD1-CG 3.82Å; L11-W37 HydrophobicContact CD1-CZ3 4.23Å; L11-W37 HydrophobicContact CD2-CE3 4.31Å; L11-W37 HydrophobicContact CD2-CZ3 4.49Å; L11-I46 HydrophobicContact CD2-CB 4.46Å; L11-I46 HydrophobicContact CD2-CG1 4.05Å; L11-I46 HydrophobicContact CD2-CG2 3.99Å; L11-F49 HydrophobicContact CB-CD1 3.9Å; L11-F49 HydrophobicContact CB-CE1 3.79Å; L11-F49 HydrophobicContact CD1-CD1 4.33Å; L11-F49 HydrophobicContact CD1-CE1 4.39Å; L11-P51 HydrophobicContact CB-CB 3.79Å; L11-P51 HydrophobicContact CB-CG 4.24Å; L11-P51 HydrophobicContact CD2-CG 4.48Å; L11-G53 PolarHBondContact N-O 3.34Å; L11-G53 VanDerWaalsContact N-O 3.07Å; L11-I54 HydrophobicContact CB-CG1 4.41Å; L11-I54 CarbonylContact O-C 3.58Å; L11-I54 VanDerWaalsContact O-CA 3.3Å; L11-I54 WeakPolarHBondContact O-CA 3.42Å; L11-I55 PolarHBondContact O-N 3.11Å
12I98.8Very high94Very high0 Ų048.9 Ų48.90%025%0.25CS..EExtended strand (participates in β ladder)trans-113.5117.8175.6-55.7168000107.5I10 T20 V23 A24 V27 C34 E35 L36 W37 I55I10-I12 HydrophobicContact CG2-CG1 4.07Å; I12-T20 HydrophobicContact CG2-CG2 4.07Å; I12-V23 HydrophobicContact CD1-CG1 4.1Å; I12-V23 HydrophobicContact CG2-CG1 4.38Å; I12-A24 HydrophobicContact CD1-CB 3.67Å; I12-V27 HydrophobicContact CD1-CG2 4.33Å; I12-C34 HydrophobicContact CD1-CB 4.15Å; I12-E35 PolarHBondContact N-O 2.91Å; I12-L36 WeakPolarHBondContact O-CA 3.3Å; I12-W37 PolarHBondContact O-N 3.09Å; I12-I55 CarbonylContact C-O 3.57Å; I12-I55 WeakPolarHBondContact CA-O 3.49Å; I12-I55 HydrophobicContact CG1-CB 4.23Å; I12-I55 HydrophobicContact CG1-CD1 4.47Å
13L98.6Very high95.7Very high0 Ų042.6 Ų42.60%021%0.212CC..EExtended strand (participates in β ladder)trans-95.1120.2175.2-63.3-173.8000109.8L11 F15 W37 V41 I54 I55 L56 S57 V75L11-L13 HydrophobicContact CD1-CD2 4.14Å; L11-L13 HydrophobicContact CD2-CD2 4.03Å; L11-L13 HydrophobicContact CD2-CG 4.48Å; L11-L13 HydrophobicContact CG-CD2 4Å; L11-L13 HydrophobicContact CG-CG 4.39Å; L13-F15 HydrophobicContact CB-CE2 4.16Å; L13-W37 HydrophobicContact CD2-CB 4.17Å; L13-V41 HydrophobicContact CD2-CG2 3.87Å; L13-I54 HydrophobicContact CG-CG2 4.46Å; L13-I55 PolarHBondContact N-O 3.12Å; L13-L56 HydrophobicContact CB-CD2 4.02Å; L13-L56 HydrophobicContact CD1-CD2 3.84Å; L13-L56 HydrophobicContact CG-CD2 4.23Å; L13-S57 PolarHBondContact O-N 3.05Å; L13-S57 PolarHBondContact O-OG 3.33Å; L13-V75 HydrophobicContact CD1-CG2 3.81Å
14D97.5Very high96.2Very high41 Ų4137.9 Ų37.922%0.21919%0.19CC..EExtended strand (participates in β ladder)trans-86.5113.5-177.9-1675.9000111.8G16 T20 L36 W37 W39 S57D14-G16 VanDerWaalsContact C-N 3.35Å; D14-G16 WeakPolarHBondContact OD1-CA 3.37Å; D14-G16 PolarHBondContact OD1-N 2.82Å; D14-T20 HydrophobicContact CB-CG2 3.58Å; D14-T20 VanDerWaalsContact OD1-CB 3.28Å; D14-T20 WeakPolarHBondContact OD1-CB 3.33Å; D14-T20 WeakPolarHBondContact OD1-CG2 3.34Å; D14-T20 PolarHBondContact OD1-OG1 2.8Å; D14-L36 HydrophobicContact CB-CD2 3.91Å; D14-W37 WeakPolarHBondContact CB-O 3.37Å; D14-W37 PolarHBondContact N-O 3.33Å; D14-W39 PolarHBondContact O-N 3.27Å; D14-W39 VanDerWaalsContact O-N 3.12Å; D14-S57 WeakPolarHBondContact CA-OG 3.33Å; D14-S57 PolarHBondContact OD1-OG 2.96Å
15F96.4Very high96.4Very high5 Ų537.4 Ų37.42%0.02218%0.181CC..  trans-93.19.2172.3-71.9-84.3000113.2L13 W39 L56 S57 G58 G59 P69 A71 Y87 T91L13-F15 HydrophobicContact CB-CE2 4.16Å; F15-W39 HydrophobicContact CD1-CB 3.74Å; F15-W39 AromaticContact CD1-CG 3.94Å; F15-W39 HydrophobicContact CD1-CG 3.94Å; F15-W39 HydrophobicContact CD2-CB 4.39Å; F15-W39 HydrophobicContact CE1-CB 3.51Å; F15-W39 HydrophobicContact CE1-CD2 4.41Å; F15-W39 AromaticContact CE1-CG 3.92Å; F15-W39 HydrophobicContact CE1-CG 3.92Å; F15-W39 HydrophobicContact CE2-CB 4.17Å; F15-W39 HydrophobicContact CG-CB 4.19Å; F15-W39 HydrophobicContact CZ-CB 3.74Å; F15-L56 HydrophobicContact CD2-CB 4.37Å; F15-L56 HydrophobicContact CE2-CB 3.83Å; F15-L56 HydrophobicContact CE2-CD2 4.05Å; F15-L56 HydrophobicContact CE2-CG 4.41Å; F15-S57 PolarHBondContact N-OG 3.25Å; F15-G58 CarbonylContact C-O 3.5Å; F15-G58 WeakPolarHBondContact CB-O 3.49Å; F15-G59 VanDerWaalsContact O-CA 3.3Å; F15-G59 WeakPolarHBondContact O-CA 3.37Å; F15-P69 HydrophobicContact CD1-CB 3.57Å; F15-P69 HydrophobicContact CE1-CB 3.98Å; F15-A71 HydrophobicContact CZ-CB 4Å; F15-Y87 HydrophobicContact CB-CD1 3.69Å; F15-Y87 HydrophobicContact CB-CE1 4.24Å; F15-Y87 HydrophobicContact CB-CG 4.41Å; F15-Y87 AromaticContact CD1-CD1 3.59Å; F15-Y87 HydrophobicContact CD1-CD1 3.59Å; F15-Y87 AromaticContact CD1-CE1 3.42Å; F15-Y87 HydrophobicContact CD1-CE1 3.42Å; F15-Y87 VanDerWaalsContact CD1-CE1 3.42Å; F15-Y87 HydrophobicContact CD2-CD1 4.44Å; F15-Y87 HydrophobicContact CE1-CD1 4.33Å; F15-Y87 AromaticContact CE1-CE1 3.98Å; F15-Y87 HydrophobicContact CE1-CE1 3.98Å; F15-Y87 AromaticContact CG-CD1 3.65Å; F15-Y87 HydrophobicContact CG-CD1 3.65Å; F15-Y87 AromaticContact CG-CE1 4Å; F15-Y87 HydrophobicContact CG-CE1 4Å; F15-T91 HydrophobicContact CE1-CG2 4.44Å; F15-T91 HydrophobicContact CZ-CG2 4.13Å
16G93.6Very high96.5Very high46 Ų4639 Ų3947%0.47419%0.187SC..SBendtrans100.412.3173.400000114.8D14 P60D14-G16 VanDerWaalsContact C-N 3.35Å; D14-G16 WeakPolarHBondContact OD1-CA 3.37Å; D14-G16 PolarHBondContact OD1-N 2.82Å; G16-P60 WeakPolarHBondContact O-CD 3.16Å
17S91.5Very high96.5Very high18 Ų1838.1 Ų38.113%0.12618%0.183CC..  trans-65139.7173.9171.10000111.8Y19 T20 G58S17-Y19 PolarHBondContact O-N 3.03Å; S17-Y19 VanDerWaalsContact O-N 3.11Å; S17-Y19 PolarHBondContact OG-N 3.04Å; S17-T20 PolarHBondContact O-N 3.09Å; S17-T20 PolarHBondContact O-OG1 3.43Å; S17-T20 VanDerWaalsContact O-OG1 3.07Å; S17-G58 WeakPolarHBondContact CB-O 3.48Å; S17-G58 PolarHBondContact N-O 2.82Å
18Q89.6Confident96.6Very high160 Ų16032.1 Ų32.175%0.74816%0.156SC*.THydrogen-bonded Turntrans-59.7-19.2169.364.2-177-4000113.4
19Y93.1Very high96.6Very high58 Ų5833.5 Ų33.523%0.22716%0.163CC..THydrogen-bonded Turntrans-98.50.6-178.4-53.1-55.6000113.8S17 Q21 L22 V23 H181 E183 V184S17-Y19 PolarHBondContact O-N 3.03Å; S17-Y19 VanDerWaalsContact O-N 3.11Å; S17-Y19 PolarHBondContact OG-N 3.04Å; Y19-Q21 PolarHBondContact O-N 3.34Å; Y19-L22 WeakPolarHBondContact O-CA 3.48Å; Y19-L22 WeakPolarHBondContact O-CB 3.07Å; Y19-L22 PolarHBondContact O-N 3.35Å; Y19-V23 PolarHBondContact O-N 2.79Å; Y19-H181 AromaticContact CD2-CE1 3.89Å; Y19-H181 AromaticContact CD2-ND1 3.68Å; Y19-E183 WeakPolarHBondContact CB-OE1 3.4Å; Y19-V184 HydrophobicContact CD1-CG1 3.97Å; Y19-V184 HydrophobicContact CD2-CG1 4.28Å; Y19-V184 HydrophobicContact CE1-CG1 4.09Å; Y19-V184 HydrophobicContact CE2-CG1 4.39Å; Y19-V184 HydrophobicContact CG-CG1 4.08Å
20T94.7Very high96.5Very high1 Ų131.5 Ų31.51%0.00616%0.157CC..Hα-helixtrans-59-42.7-175.5-55.10000112.6I12 D14 S17 L22 V23 A24 L36 S57I12-T20 HydrophobicContact CG2-CG2 4.07Å; D14-T20 HydrophobicContact CB-CG2 3.58Å; D14-T20 VanDerWaalsContact OD1-CB 3.28Å; D14-T20 WeakPolarHBondContact OD1-CB 3.33Å; D14-T20 WeakPolarHBondContact OD1-CG2 3.34Å; D14-T20 PolarHBondContact OD1-OG1 2.8Å; S17-T20 PolarHBondContact O-N 3.09Å; S17-T20 PolarHBondContact O-OG1 3.43Å; S17-T20 VanDerWaalsContact O-OG1 3.07Å; T20-L22 PolarHBondContact O-N 3.12Å; T20-V23 WeakPolarHBondContact O-CB 3.14Å; T20-V23 PolarHBondContact O-N 2.79Å; T20-A24 PolarHBondContact O-N 2.88Å; T20-L36 HydrophobicContact CG2-CD1 3.53Å; T20-L36 HydrophobicContact CG2-CD2 4.33Å; T20-L36 HydrophobicContact CG2-CG 3.8Å; T20-S57 WeakPolarHBondContact OG1-CB 3.34Å; T20-S57 PolarHBondContact OG1-OG 3.14Å; T20-S57 VanDerWaalsContact OG1-OG 3.04Å
21Q95Very high96.5Very high81 Ų8132 Ų3238%0.37916%0.161SC..Hα-helixtrans-64.2-28.9174-70.1-165.121.900112.7Y19 A24 R25 L36Y19-Q21 PolarHBondContact O-N 3.34Å; Q21-A24 PolarHBondContact O-N 2.94Å; Q21-R25 WeakPolarHBondContact O-CG 3.31Å; Q21-R25 PolarHBondContact O-N 2.86Å; Q21-L36 HydrophobicContact CB-CD1 4.49Å; Q21-L36 HydrophobicContact CG-CD1 3.9Å
22L96.4Very high96.5Very high33 Ų3332 Ų3217%0.17316%0.161CC..Hα-helixtrans-67.7-41.9175.3-172.460.8000110.7Y19 T20 A24 R25 R26 E183 V184Y19-L22 WeakPolarHBondContact O-CA 3.48Å; Y19-L22 WeakPolarHBondContact O-CB 3.07Å; Y19-L22 PolarHBondContact O-N 3.35Å; T20-L22 PolarHBondContact O-N 3.12Å; L22-A24 VanDerWaalsContact C-N 3.31Å; L22-A24 PolarHBondContact O-N 2.96Å; L22-R25 PolarHBondContact O-N 2.85Å; L22-R26 WeakPolarHBondContact O-CG 3.28Å; L22-R26 PolarHBondContact O-N 3.03Å; L22-E183 HydrophobicContact CB-CG 4.15Å; L22-E183 HydrophobicContact CD2-CB 4.44Å; L22-E183 HydrophobicContact CD2-CG 4.03Å; L22-E183 VanDerWaalsContact CD2-O 3.28Å; L22-E183 WeakPolarHBondContact CD2-O 3.28Å; L22-E183 HydrophobicContact CG-CB 4.19Å; L22-E183 HydrophobicContact CG-CG 4.08Å; L22-V184 HydrophobicContact CD2-CG1 4.04Å
23V97.9Very high96.5Very high1 Ų132.3 Ų32.31%0.00616%0.162CC..Hα-helixtrans-53.7-50.2171.9-179.30000110.4I12 Y19 T20 R25 R26 V27 I55 E183I12-V23 HydrophobicContact CD1-CG1 4.1Å; I12-V23 HydrophobicContact CG2-CG1 4.38Å; Y19-V23 PolarHBondContact O-N 2.79Å; T20-V23 WeakPolarHBondContact O-CB 3.14Å; T20-V23 PolarHBondContact O-N 2.79Å; V23-R25 PolarHBondContact O-N 3.03Å; V23-R26 PolarHBondContact O-N 3.24Å; V23-V27 WeakPolarHBondContact O-CG2 3.48Å; V23-V27 PolarHBondContact O-N 3.1Å; V23-I55 HydrophobicContact CG1-CD1 4.03Å; V23-I55 HydrophobicContact CG1-CG2 3.96Å; V23-E183 HydrophobicContact CB-CB 4.48Å; V23-E183 HydrophobicContact CG2-CB 3.86Å; V23-E183 HydrophobicContact CG2-CG 3.65Å
24A98.2Very high96.5Very high0 Ų032.3 Ų32.30%016%0.162CC..Hα-helixtrans-58.2-46.6178.200000112I12 T20 Q21 L22 R26 V27 R28 C34 L36 F380I12-A24 HydrophobicContact CD1-CB 3.67Å; T20-A24 PolarHBondContact O-N 2.88Å; Q21-A24 PolarHBondContact O-N 2.94Å; L22-A24 VanDerWaalsContact C-N 3.31Å; L22-A24 PolarHBondContact O-N 2.96Å; A24-R26 PolarHBondContact O-N 2.88Å; A24-V27 PolarHBondContact O-N 3.41Å; A24-R28 WeakPolarHBondContact O-CG 3.35Å; A24-R28 PolarHBondContact O-N 3.39Å; A24-C34 PolarHBondContact O-SG 3.21Å; A24-L36 HydrophobicContact CB-CD1 4.36Å; A24-F380 HydrophobicContact CB-CE2 3.88Å; A24-F380 HydrophobicContact CB-CZ 3.65Å
25R97.6Very high96.6Very high83 Ų8332.6 Ų32.631%0.31316%0.162SC..Hα-helixtrans-60.4-40.9176.2-72.2173.963.1-136.1-8.4112.8Q21 L22 V23 V27 R28 E29 F380 D382Q21-R25 WeakPolarHBondContact O-CG 3.31Å; Q21-R25 PolarHBondContact O-N 2.86Å; L22-R25 PolarHBondContact O-N 2.85Å; V23-R25 PolarHBondContact O-N 3.03Å; R25-V27 PolarHBondContact O-N 3.02Å; R25-R28 WeakPolarHBondContact O-CB 3.15Å; R25-R28 PolarHBondContact O-N 3.41Å; R25-E29 WeakPolarHBondContact O-CG 3.34Å; R25-E29 PolarHBondContact O-N 3.05Å; R25-F380 HydrophobicContact CG-CB 4.31Å; R25-F380 HydrophobicContact CG-CD1 3.76Å; R25-F380 HydrophobicContact CG-CD2 3.87Å; R25-F380 HydrophobicContact CG-CE1 3.97Å; R25-F380 HydrophobicContact CG-CE2 4.06Å; R25-F380 HydrophobicContact CG-CG 3.71Å; R25-F380 HydrophobicContact CG-CZ 4.11Å; R25-D382 IonicContact CZ-OD2 3.97Å; R25-D382 VanDerWaalsContact CZ-OD2 3.25Å; R25-D382 IonicContact NE-OD2 3.15Å; R25-D382 PolarHBondContact NE-OD2 3.21Å; R25-D382 IonicContact NH2-OD2 2.71Å; R25-D382 PolarHBondContact NH2-OD2 3.11Å
26R98.1Very high96.6Very high42 Ų4232.9 Ų32.916%0.15816%0.164CC..Hα-helixtrans-62.8-40.9175.8-64.4-45.9177.2-174.3-2.7112.1L22 V23 A24 R28 E29 L30 E183 M191 L194L22-R26 WeakPolarHBondContact O-CG 3.28Å; L22-R26 PolarHBondContact O-N 3.03Å; V23-R26 PolarHBondContact O-N 3.24Å; A24-R26 PolarHBondContact O-N 2.88Å; R26-R28 VanDerWaalsContact C-N 3.34Å; R26-R28 PolarHBondContact O-N 2.65Å; R26-E29 WeakPolarHBondContact CD-OE2 3.38Å; R26-E29 IonicContact CZ-OE2 3.83Å; R26-E29 IonicContact NE-OE2 2.99Å; R26-E29 IonicContact NH1-OE1 2.86Å; R26-E29 PolarHBondContact NH1-OE1 2.91Å; R26-E29 IonicContact NH1-OE2 2.97Å; R26-E29 PolarHBondContact NH1-OE2 3.27Å; R26-E29 WeakPolarHBondContact O-CB 3.29Å; R26-E29 PolarHBondContact O-N 2.83Å; R26-L30 WeakPolarHBondContact O-CG 3.38Å; R26-L30 PolarHBondContact O-N 2.83Å; R26-L30 VanDerWaalsContact O-N 3.08Å; R26-E183 HydrophobicContact CG-CB 4.05Å; R26-E183 PolarHBondContact NE-O 3.31Å; R26-E183 VanDerWaalsContact NE-O 3.08Å; R26-M191 HydrophobicContact CB-SD 3.72Å; R26-M191 VanDerWaalsContact CD-SD 3.58Å; R26-M191 HydrophobicContact CG-SD 3.92Å; R26-L194 HydrophobicContact CB-CD1 3.66Å; R26-L194 HydrophobicContact CG-CD1 4.04Å
27V98.7Very high96.8Very high0 Ų033.2 Ų33.20%015%0.151CC..Hα-helixtrans-62.9-41.1174.8177.90000111.3I10 I12 V23 A24 R25 L30 V32 C34 I55 V198I10-V27 HydrophobicContact CB-CG1 4.11Å; I10-V27 HydrophobicContact CG1-CG1 4.02Å; I12-V27 HydrophobicContact CD1-CG2 4.33Å; V23-V27 WeakPolarHBondContact O-CG2 3.48Å; V23-V27 PolarHBondContact O-N 3.1Å; A24-V27 PolarHBondContact O-N 3.41Å; R25-V27 PolarHBondContact O-N 3.02Å; V27-L30 WeakPolarHBondContact O-CB 3.15Å; V27-L30 PolarHBondContact O-N 2.98Å; V27-V32 HydrophobicContact CG1-CB 4.25Å; V27-V32 PolarHBondContact O-N 3.45Å; V27-C34 HydrophobicContact CB-CB 4.27Å; V27-C34 HydrophobicContact CG1-CB 3.76Å; V27-I55 HydrophobicContact CG2-CD1 3.89Å; V27-V198 HydrophobicContact CG1-CG1 4.47Å; V27-V198 HydrophobicContact CG1-CG2 4.39Å; V27-V198 HydrophobicContact CG2-CG2 4.2Å
28R98.3Very high97Very high10 Ų1034.8 Ų34.84%0.03817%0.166CC..Hα-helixtrans-63.3-40.8173.2-61.6-53.8-17282.2-2.6112.6A24 R25 R26 L30 G31 C34 E378 F380 E383A24-R28 WeakPolarHBondContact O-CG 3.35Å; A24-R28 PolarHBondContact O-N 3.39Å; R25-R28 WeakPolarHBondContact O-CB 3.15Å; R25-R28 PolarHBondContact O-N 3.41Å; R26-R28 VanDerWaalsContact C-N 3.34Å; R26-R28 PolarHBondContact O-N 2.65Å; R28-L30 PolarHBondContact O-N 2.93Å; R28-G31 WeakPolarHBondContact O-CA 3.44Å; R28-G31 PolarHBondContact O-N 3.09Å; R28-C34 PolarHBondContact NE-O 2.97Å; R28-C34 PolarHBondContact NE-SG 3.12Å; R28-C34 VanDerWaalsContact NE-SG 3.37Å; R28-C34 PolarHBondContact NH2-O 3.49Å; R28-E378 VanDerWaalsContact CZ-O 3.27Å; R28-E378 PolarHBondContact NH1-O 3.28Å; R28-E378 PolarHBondContact NH2-O 3.32Å; R28-F380 HydrophobicContact CG-CD2 4.06Å; R28-F380 HydrophobicContact CG-CE2 4.16Å; R28-E383 WeakPolarHBondContact CB-OE1 3.5Å; R28-E383 IonicContact CZ-OE2 2.86Å; R28-E383 IonicContact NH1-OE1 3.73Å; R28-E383 PolarHBondContact NH1-OE1 2.72Å; R28-E383 VanDerWaalsContact NH1-OE1 3.11Å; R28-E383 IonicContact NH1-OE2 3.31Å; R28-E383 PolarHBondContact NH1-OE2 2.89Å
29E97.7Very high97.4Very high66 Ų6630.5 Ų30.531%0.30814%0.142SC..Hα-helixtrans-61.2-29.4175.7-74.4168.8-163.800112.6R25 R26 G31 M191R25-E29 WeakPolarHBondContact O-CG 3.34Å; R25-E29 PolarHBondContact O-N 3.05Å; R26-E29 WeakPolarHBondContact CD-OE2 3.38Å; R26-E29 IonicContact CZ-OE2 3.83Å; R26-E29 IonicContact NE-OE2 2.99Å; R26-E29 IonicContact NH1-OE1 2.86Å; R26-E29 PolarHBondContact NH1-OE1 2.91Å; R26-E29 IonicContact NH1-OE2 2.97Å; R26-E29 PolarHBondContact NH1-OE2 3.27Å; R26-E29 WeakPolarHBondContact O-CB 3.29Å; R26-E29 PolarHBondContact O-N 2.83Å; E29-G31 PolarHBondContact O-N 2.97Å; E29-M191 HydrophobicContact CB-CE 4.1Å
30L98.3Very high97.5Very high17 Ų1733.6 Ų33.69%0.08916%0.163CC..THydrogen-bonded Turntrans-78.40.4173.2-65.8169000113.8R26 V27 R28 M191 L194 E195 V198R26-L30 WeakPolarHBondContact O-CG 3.38Å; R26-L30 PolarHBondContact O-N 2.83Å; R26-L30 VanDerWaalsContact O-N 3.08Å; V27-L30 WeakPolarHBondContact O-CB 3.15Å; V27-L30 PolarHBondContact O-N 2.98Å; R28-L30 PolarHBondContact O-N 2.93Å; L30-M191 HydrophobicContact CD2-CE 3.56Å; L30-M191 HydrophobicContact CG-CE 3.76Å; L30-L194 HydrophobicContact CD1-CB 3.89Å; L30-E195 HydrophobicContact CD1-CB 4.28Å; L30-E195 HydrophobicContact CD2-CB 3.64Å; L30-E195 HydrophobicContact CD2-CG 3.94Å; L30-V198 HydrophobicContact CD1-CB 4.47Å; L30-V198 HydrophobicContact CD1-CG2 4.48Å
31G98.2Very high97.6Very high9 Ų934.3 Ų34.39%0.09317%0.167CC..THydrogen-bonded Turntrans80.623175.900000114.4R28 E29 A206 L207 W208R28-G31 WeakPolarHBondContact O-CA 3.44Å; R28-G31 PolarHBondContact O-N 3.09Å; E29-G31 PolarHBondContact O-N 2.97Å; G31-A206 CarbonylContact O-C 3.13Å; G31-A206 WeakPolarHBondContact O-CA 3.33Å; G31-L207 PolarHBondContact O-N 3.44Å; G31-L207 VanDerWaalsContact O-N 3.14Å; G31-W208 VanDerWaalsContact C-CB 3.42Å; G31-W208 WeakPolarHBondContact O-CA 3.19Å; G31-W208 WeakPolarHBondContact O-CB 3.41Å; G31-W208 PolarHBondContact O-N 3.39Å
32V98.7Very high97.7Very high1 Ų134.1 Ų34.11%0.00617%0.172CC..  trans-118.5138.1178.5-178.60000110.7I10 V27 V198 C204I10-V32 HydrophobicContact CG1-CG1 4.14Å; V27-V32 HydrophobicContact CG1-CB 4.25Å; V27-V32 PolarHBondContact O-N 3.45Å; V32-V198 HydrophobicContact CB-CG1 3.75Å; V32-V198 HydrophobicContact CG1-CG1 3.97Å; V32-V198 HydrophobicContact CG2-CG1 3.54Å; V32-C204 HydrophobicContact CB-CB 4.43Å; V32-C204 HydrophobicContact CG1-CB 3.79Å; V32-C204 HydrophobicContact CG2-CB 3.72Å
33Y98.6Very high97.8Very high6 Ų636.9 Ų36.92%0.02418%0.184CC..EExtended strand (participates in β ladder)trans-66143.5175.6-177.7-114.8000110.8H6 R9 I10 E35 F49 W208 E378H6-Y33 HydrophobicContact CB-CD1 4.29Å; H6-Y33 AromaticContact CD2-CD1 3.88Å; H6-Y33 AromaticContact CD2-CE1 3.75Å; H6-Y33 AromaticContact CD2-CE2 3.84Å; H6-Y33 AromaticContact CD2-CZ 3.71Å; R9-Y33 VanDerWaalsContact CA-O 3.3Å; R9-Y33 WeakPolarHBondContact CA-O 3.24Å; R9-Y33 HydrophobicContact CB-CD1 3.76Å; I10-Y33 PolarHBondContact N-O 2.85Å; Y33-E35 HydrophobicContact CE1-CG 3.96Å; Y33-E35 WeakPolarHBondContact OH-CG 3.48Å; Y33-E35 PolarHBondContact OH-OE1 3.22Å; Y33-F49 HydrophobicContact CE1-CE2 4.37Å; Y33-F49 HydrophobicContact CE1-CZ 4.44Å; Y33-W208 AromaticContact CD2-CD2 3.98Å; Y33-W208 HydrophobicContact CD2-CD2 3.98Å; Y33-W208 AromaticContact CD2-CE2 3.91Å; Y33-W208 AromaticContact CD2-CE3 3.68Å; Y33-W208 HydrophobicContact CD2-CE3 3.68Å; Y33-W208 AromaticContact CD2-CH2 3.27Å; Y33-W208 HydrophobicContact CD2-CH2 3.27Å; Y33-W208 AromaticContact CD2-CZ2 3.58Å; Y33-W208 HydrophobicContact CD2-CZ2 3.58Å; Y33-W208 AromaticContact CD2-CZ3 3.32Å; Y33-W208 HydrophobicContact CD2-CZ3 3.32Å; Y33-W208 AromaticContact CE2-CH2 3.56Å; Y33-W208 HydrophobicContact CE2-CH2 3.56Å; Y33-W208 AromaticContact CE2-CZ2 3.96Å; Y33-W208 HydrophobicContact CE2-CZ2 3.96Å; Y33-W208 AromaticContact CE2-CZ3 3.98Å; Y33-W208 HydrophobicContact CE2-CZ3 3.98Å; Y33-W208 HydrophobicContact CG-CE3 4.01Å; Y33-W208 HydrophobicContact CG-CH2 4.28Å; Y33-W208 AromaticContact CG-CZ3 3.88Å; Y33-W208 HydrophobicContact CG-CZ3 3.88Å; Y33-E378 HydrophobicContact CE2-CB 4.44Å
34C98.7Very high97.8Very high0 Ų040 Ų400%021%0.21CC..EExtended strand (participates in β ladder)trans-150.8154.3173.370.80000111.9I10 I12 A24 V27 R28I10-C34 HydrophobicContact CB-CB 3.98Å; I10-C34 WeakPolarHBondContact O-CA 3.4Å; I10-C34 VanDerWaalsContact O-CB 3.29Å; I10-C34 WeakPolarHBondContact O-CB 3.27Å; I12-C34 HydrophobicContact CD1-CB 4.15Å; A24-C34 PolarHBondContact O-SG 3.21Å; V27-C34 HydrophobicContact CB-CB 4.27Å; V27-C34 HydrophobicContact CG1-CB 3.76Å; R28-C34 PolarHBondContact NE-O 2.97Å; R28-C34 PolarHBondContact NE-SG 3.12Å; R28-C34 VanDerWaalsContact NE-SG 3.37Å; R28-C34 PolarHBondContact NH2-O 3.49Å
35E98.3Very high97.8Very high47 Ų4744.1 Ų44.122%0.2223%0.229CC..EExtended strand (participates in β ladder)trans-120.8147.2168.3-71.3-167.7-153.800111.2I10 I12 Y33 W37 F49 Y338I10-E35 PolarHBondContact O-N 3.03Å; I10-E35 VanDerWaalsContact O-N 3.1Å; I12-E35 PolarHBondContact N-O 2.91Å; Y33-E35 HydrophobicContact CE1-CG 3.96Å; Y33-E35 WeakPolarHBondContact OH-CG 3.48Å; Y33-E35 PolarHBondContact OH-OE1 3.22Å; E35-W37 PolarHBondContact OE2-NE1 3.38Å; E35-F49 HydrophobicContact CB-CE2 3.91Å; E35-F49 HydrophobicContact CB-CZ 3.83Å; E35-F49 VanDerWaalsContact CD-CE2 3.46Å; E35-F49 HydrophobicContact CG-CE2 3.67Å; E35-F49 HydrophobicContact CG-CZ 3.93Å; E35-F49 WeakPolarHBondContact OE1-CE2 3.37Å; E35-Y338 VanDerWaalsContact CA-OH 3.26Å; E35-Y338 WeakPolarHBondContact CA-OH 3.45Å; E35-Y338 WeakPolarHBondContact CB-OH 3.41Å
36L97.3Very high97.9Very high12 Ų1240.2 Ų40.26%0.06321%0.214CC..EExtended strand (participates in β ladder)trans-109.2115.6175.9-175.1165.8000108.4I12 D14 T20 Q21 A24 Y338 I342I12-L36 WeakPolarHBondContact O-CA 3.3Å; D14-L36 HydrophobicContact CB-CD2 3.91Å; T20-L36 HydrophobicContact CG2-CD1 3.53Å; T20-L36 HydrophobicContact CG2-CD2 4.33Å; T20-L36 HydrophobicContact CG2-CG 3.8Å; Q21-L36 HydrophobicContact CB-CD1 4.49Å; Q21-L36 HydrophobicContact CG-CD1 3.9Å; A24-L36 HydrophobicContact CB-CD1 4.36Å; L36-Y338 PolarHBondContact N-OH 2.71Å; L36-I342 HydrophobicContact CB-CD1 4.32Å; L36-I342 HydrophobicContact CD1-CD1 4.32Å; L36-I342 HydrophobicContact CD2-CG2 4.21Å
37W97.4Very high97.9Very high52 Ų5244.4 Ų44.420%0.19723%0.23CC..EExtended strand (participates in β ladder)trans-117.7158.9177.6-64.9-2.6000110.2L11 I12 L13 D14 E35 V41 Q45 F49L11-W37 HydrophobicContact CD1-CB 4.25Å; L11-W37 HydrophobicContact CD1-CD2 3.51Å; L11-W37 HydrophobicContact CD1-CE3 3.58Å; L11-W37 HydrophobicContact CD1-CG 3.82Å; L11-W37 HydrophobicContact CD1-CZ3 4.23Å; L11-W37 HydrophobicContact CD2-CE3 4.31Å; L11-W37 HydrophobicContact CD2-CZ3 4.49Å; I12-W37 PolarHBondContact O-N 3.09Å; L13-W37 HydrophobicContact CD2-CB 4.17Å; D14-W37 WeakPolarHBondContact CB-O 3.37Å; D14-W37 PolarHBondContact N-O 3.33Å; E35-W37 PolarHBondContact OE2-NE1 3.38Å; W37-V41 HydrophobicContact CB-CG1 4.26Å; W37-V41 HydrophobicContact CE3-CB 4.35Å; W37-V41 HydrophobicContact CE3-CG1 3.94Å; W37-V41 HydrophobicContact CE3-CG2 4.28Å; W37-Q45 HydrophobicContact CH2-CB 4.12Å; W37-Q45 WeakPolarHBondContact CH2-O 3.41Å; W37-Q45 HydrophobicContact CZ3-CB 3.73Å; W37-F49 HydrophobicContact CH2-CB 3.6Å; W37-F49 HydrophobicContact CH2-CD2 4.26Å; W37-F49 HydrophobicContact CH2-CG 4.08Å; W37-F49 HydrophobicContact CZ2-CB 4.05Å; W37-F49 AromaticContact CZ2-CD2 3.82Å; W37-F49 HydrophobicContact CZ2-CD2 3.82Å; W37-F49 HydrophobicContact CZ2-CG 4.06Å; W37-F49 HydrophobicContact CZ3-CB 4.32Å
38A96.4Very high97.8Very high52 Ų5251.1 Ų51.143%0.4327%0.266SS..EExtended strand (participates in β ladder)trans-62.7154.3165.500000110.3D40 V41A38-D40 PolarHBondContact O-N 2.97Å; A38-V41 WeakPolarHBondContact O-CG1 3.5Å
39W96.8Very high97.8Very high69 Ų6951.1 Ų51.126%0.26127%0.267SS..SBendtrans-61.7-31177.667.4-95.3000113.8D14 F15 V41 P69 R70 P72D14-W39 PolarHBondContact O-N 3.27Å; D14-W39 VanDerWaalsContact O-N 3.12Å; F15-W39 HydrophobicContact CD1-CB 3.74Å; F15-W39 AromaticContact CD1-CG 3.94Å; F15-W39 HydrophobicContact CD1-CG 3.94Å; F15-W39 HydrophobicContact CD2-CB 4.39Å; F15-W39 HydrophobicContact CE1-CB 3.51Å; F15-W39 HydrophobicContact CE1-CD2 4.41Å; F15-W39 AromaticContact CE1-CG 3.92Å; F15-W39 HydrophobicContact CE1-CG 3.92Å; F15-W39 HydrophobicContact CE2-CB 4.17Å; F15-W39 HydrophobicContact CG-CB 4.19Å; F15-W39 HydrophobicContact CZ-CB 3.74Å; W39-V41 VanDerWaalsContact C-N 3.29Å; W39-V41 PolarHBondContact O-N 2.87Å; W39-P69 HydrophobicContact CD2-CB 3.81Å; W39-P69 VanDerWaalsContact CE2-CB 3.46Å; W39-P69 HydrophobicContact CE3-CB 4.47Å; W39-P69 HydrophobicContact CG-CB 4.08Å; W39-P69 HydrophobicContact CH2-CB 4.47Å; W39-P69 HydrophobicContact CZ2-CB 3.84Å; W39-P69 HydrophobicContact CZ2-CG 4.02Å; W39-R70 WeakPolarHBondContact CZ3-O 3.45Å; W39-P72 WeakPolarHBondContact O-CD 3.25Å
40D95.8Very high97.9Very high124 Ų12453.8 Ų53.866%0.66328%0.283SS*.  trans-8468.1-174.3-16919.1000111.5A38A38-D40 PolarHBondContact O-N 2.97Å
41V96.4Very high97.9Very high16 Ų1653.3 Ų53.310%0.09728%0.281CS..  trans-116.1155.5177.3-67.90000111.2L13 W37 A38 W39 I46 P72L13-V41 HydrophobicContact CD2-CG2 3.87Å; W37-V41 HydrophobicContact CB-CG1 4.26Å; W37-V41 HydrophobicContact CE3-CB 4.35Å; W37-V41 HydrophobicContact CE3-CG1 3.94Å; W37-V41 HydrophobicContact CE3-CG2 4.28Å; A38-V41 WeakPolarHBondContact O-CG1 3.5Å; W39-V41 VanDerWaalsContact C-N 3.29Å; W39-V41 PolarHBondContact O-N 2.87Å; V41-I46 HydrophobicContact CG2-CD1 3.99Å; V41-I46 HydrophobicContact CG2-CG1 3.91Å; V41-P72 HydrophobicContact CG2-CG 4.04Å; V41-P72 WeakPolarHBondContact O-CG 3.3Å
42T98.2Very high97.9Very high77 Ų7754.1 Ų54.147%0.47229%0.285SS..  trans-83155.4178.964.40000111.8A44 Q45 I46T42-A44 PolarHBondContact O-N 3.35Å; T42-Q45 PolarHBondContact O-N 3.34Å; T42-Q45 VanDerWaalsContact O-N 3.12Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.5Å; T42-Q45 PolarHBondContact OG1-N 2.93Å; T42-Q45 PolarHBondContact OG1-OE1 3.1Å; T42-I46 PolarHBondContact O-N 2.8Å
43E98.4Very high97.9Very high90 Ų9054 Ų5442%0.42129%0.285SS..Hα-helixtrans-52.1-40.7170170176.1171.400112.2Q45 I46 R47 Y74E43-Q45 VanDerWaalsContact C-N 3.31Å; E43-Q45 PolarHBondContact O-N 3.42Å; E43-I46 PolarHBondContact O-N 3.32Å; E43-R47 HydrophobicContact CG-CG 4.27Å; E43-R47 WeakPolarHBondContact O-CG 3.44Å; E43-R47 PolarHBondContact O-N 2.64Å; E43-R47 IonicContact OE1-CZ 2.92Å; E43-R47 IonicContact OE1-NE 3.07Å; E43-R47 PolarHBondContact OE1-NE 3.15Å; E43-R47 IonicContact OE1-NH2 3.15Å; E43-R47 PolarHBondContact OE1-NH2 2.9Å; E43-Y74 HydrophobicContact CB-CD1 4.44Å; E43-Y74 HydrophobicContact CB-CG 4.24Å; E43-Y74 HydrophobicContact CG-CD1 3.88Å; E43-Y74 HydrophobicContact CG-CD2 3.97Å; E43-Y74 HydrophobicContact CG-CE1 4.47Å; E43-Y74 HydrophobicContact CG-CG 3.6Å
44A98.5Very high97.9Very high68 Ų6853.8 Ų53.856%0.56228%0.284SS*.Hα-helixtrans-58.9-42.2179.100000112.1T42 R47 D48T42-A44 PolarHBondContact O-N 3.35Å; A44-R47 PolarHBondContact O-N 3.29Å; A44-D48 WeakPolarHBondContact O-CB 3.35Å; A44-D48 PolarHBondContact O-N 3.25Å
45Q98Very high98Very high86 Ų8653.8 Ų53.840%0.40228%0.284SS..Hα-helixtrans-65.3-43.2177.2-69.9166.5-7800111.7W37 T42 E43 R47 D48 F49W37-Q45 HydrophobicContact CH2-CB 4.12Å; W37-Q45 WeakPolarHBondContact CH2-O 3.41Å; W37-Q45 HydrophobicContact CZ3-CB 3.73Å; T42-Q45 PolarHBondContact O-N 3.34Å; T42-Q45 VanDerWaalsContact O-N 3.12Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.5Å; T42-Q45 PolarHBondContact OG1-N 2.93Å; T42-Q45 PolarHBondContact OG1-OE1 3.1Å; E43-Q45 VanDerWaalsContact C-N 3.31Å; E43-Q45 PolarHBondContact O-N 3.42Å; Q45-R47 PolarHBondContact O-N 3.26Å; Q45-D48 PolarHBondContact O-N 3.29Å; Q45-F49 PolarHBondContact O-N 3.26Å
46I98.4Very high98Very high0 Ų051.5 Ų51.50%027%0.273CS..Hα-helixtrans-65.2-41178.7-57.8174.9000110.6L11 V41 T42 E43 F49 N50 P51 I54 P72 Y74 V75L11-I46 HydrophobicContact CD2-CB 4.46Å; L11-I46 HydrophobicContact CD2-CG1 4.05Å; L11-I46 HydrophobicContact CD2-CG2 3.99Å; V41-I46 HydrophobicContact CG2-CD1 3.99Å; V41-I46 HydrophobicContact CG2-CG1 3.91Å; T42-I46 PolarHBondContact O-N 2.8Å; E43-I46 PolarHBondContact O-N 3.32Å; I46-F49 PolarHBondContact O-N 3.05Å; I46-N50 PolarHBondContact O-N 3.46Å; I46-P51 HydrophobicContact CG2-CG 4.16Å; I46-P51 VanDerWaalsContact O-CD 3.28Å; I46-P51 WeakPolarHBondContact O-CD 3.24Å; I46-I54 HydrophobicContact CG2-CD1 4.37Å; I46-P72 HydrophobicContact CD1-CB 4.04Å; I46-P72 HydrophobicContact CD1-CG 4.1Å; I46-Y74 HydrophobicContact CB-CD1 3.92Å; I46-Y74 HydrophobicContact CB-CE1 4.08Å; I46-Y74 HydrophobicContact CD1-CD1 4.4Å; I46-Y74 HydrophobicContact CG2-CD1 3.83Å; I46-Y74 HydrophobicContact CG2-CE1 3.76Å; I46-V75 HydrophobicContact CD1-CG2 3.81Å
47R98.3Very high98Very high130 Ų13051 Ų5149%0.49127%0.27SS..Hα-helixtrans-63.1-41.7175.6-75-174.8-176.2-78.94.3112.4E43 A44 Q45 N50 Y74E43-R47 HydrophobicContact CG-CG 4.27Å; E43-R47 WeakPolarHBondContact O-CG 3.44Å; E43-R47 PolarHBondContact O-N 2.64Å; E43-R47 IonicContact OE1-CZ 2.92Å; E43-R47 IonicContact OE1-NE 3.07Å; E43-R47 PolarHBondContact OE1-NE 3.15Å; E43-R47 IonicContact OE1-NH2 3.15Å; E43-R47 PolarHBondContact OE1-NH2 2.9Å; A44-R47 PolarHBondContact O-N 3.29Å; Q45-R47 PolarHBondContact O-N 3.26Å; R47-N50 PolarHBondContact O-N 3.3Å; R47-Y74 HydrophobicContact CG-CD1 4.37Å; R47-Y74 HydrophobicContact CG-CE1 3.52Å; R47-Y74 HydrophobicContact CG-CE2 4.32Å; R47-Y74 VanDerWaalsContact CG-CZ 3.5Å; R47-Y74 WeakPolarHBondContact CG-OH 3.46Å; R47-Y74 VanDerWaalsContact CZ-CZ 3.47Å; R47-Y74 PolarHBondContact NH1-OH 3.36Å
48D98.2Very high97.9Very high142 Ų14248.5 Ų48.576%0.75926%0.261SS*.Hα-helixtrans-65.8-40.9178.3-169.941.5000111.5A44 Q45 N50A44-D48 WeakPolarHBondContact O-CB 3.35Å; A44-D48 PolarHBondContact O-N 3.25Å; Q45-D48 PolarHBondContact O-N 3.29Å; D48-N50 VanDerWaalsContact C-N 3.31Å; D48-N50 PolarHBondContact O-N 3.09Å
49F98.2Very high97.7Very high10 Ų1046.9 Ų46.94%0.04425%0.249CC..Hα-helixtrans-64.2-38.3173.6-169.7-109.6000112.1R9 L11 Y33 E35 W37 Q45 I46 P51R9-F49 HydrophobicContact CB-CE1 4.18Å; R9-F49 HydrophobicContact CB-CZ 4.01Å; R9-F49 VanDerWaalsContact CD-CZ 3.48Å; R9-F49 VanDerWaalsContact CD-O 3.26Å; R9-F49 WeakPolarHBondContact CD-O 3.48Å; R9-F49 HydrophobicContact CG-CD1 4.28Å; R9-F49 HydrophobicContact CG-CE1 3.68Å; R9-F49 HydrophobicContact CG-CZ 3.85Å; R9-F49 PolarHBondContact NH1-O 2.96Å; R9-F49 VanDerWaalsContact NH1-O 3.14Å; L11-F49 HydrophobicContact CB-CD1 3.9Å; L11-F49 HydrophobicContact CB-CE1 3.79Å; L11-F49 HydrophobicContact CD1-CD1 4.33Å; L11-F49 HydrophobicContact CD1-CE1 4.39Å; Y33-F49 HydrophobicContact CE1-CE2 4.37Å; Y33-F49 HydrophobicContact CE1-CZ 4.44Å; E35-F49 HydrophobicContact CB-CE2 3.91Å; E35-F49 HydrophobicContact CB-CZ 3.83Å; E35-F49 VanDerWaalsContact CD-CE2 3.46Å; E35-F49 HydrophobicContact CG-CE2 3.67Å; E35-F49 HydrophobicContact CG-CZ 3.93Å; E35-F49 WeakPolarHBondContact OE1-CE2 3.37Å; W37-F49 HydrophobicContact CH2-CB 3.6Å; W37-F49 HydrophobicContact CH2-CD2 4.26Å; W37-F49 HydrophobicContact CH2-CG 4.08Å; W37-F49 HydrophobicContact CZ2-CB 4.05Å; W37-F49 AromaticContact CZ2-CD2 3.82Å; W37-F49 HydrophobicContact CZ2-CD2 3.82Å; W37-F49 HydrophobicContact CZ2-CG 4.06Å; W37-F49 HydrophobicContact CZ3-CB 4.32Å; Q45-F49 PolarHBondContact O-N 3.26Å; I46-F49 PolarHBondContact O-N 3.05Å; F49-P51 HydrophobicContact CD1-CB 3.97Å; F49-P51 HydrophobicContact CD1-CG 4.44Å; F49-P51 HydrophobicContact CE1-CB 4.24Å
50N98.4Very high97.4Very high121 Ų12148.5 Ų48.565%0.64727%0.269SS*.  trans55.163.3-179.5-17136.5000113I46 R47 D48I46-N50 PolarHBondContact O-N 3.46Å; R47-N50 PolarHBondContact O-N 3.3Å; D48-N50 VanDerWaalsContact C-N 3.31Å; D48-N50 PolarHBondContact O-N 3.09Å
51P98.7Very high97.2Very high8 Ų847.9 Ų47.95%0.05226%0.262CS..  trans-66.7146-176.627.3-33.3000112.5L11 I46 F49 G53 I54 V80L11-P51 HydrophobicContact CB-CB 3.79Å; L11-P51 HydrophobicContact CB-CG 4.24Å; L11-P51 HydrophobicContact CD2-CG 4.48Å; I46-P51 HydrophobicContact CG2-CG 4.16Å; I46-P51 VanDerWaalsContact O-CD 3.28Å; I46-P51 WeakPolarHBondContact O-CD 3.24Å; F49-P51 HydrophobicContact CD1-CB 3.97Å; F49-P51 HydrophobicContact CD1-CG 4.44Å; F49-P51 HydrophobicContact CE1-CB 4.24Å; P51-G53 VanDerWaalsContact C-N 3.32Å; P51-I54 HydrophobicContact CB-CG1 4.14Å; P51-I54 HydrophobicContact CG-CD1 4.04Å; P51-I54 HydrophobicContact CG-CG1 3.81Å; P51-V80 WeakPolarHBondContact O-CG1 3.46Å
52S98.8Very high97Very high25 Ų2548.1 Ų48.118%0.17526%0.264CS..SBendtrans-79.3-18.3168.7-49.90000112.6R9 P81R9-S52 PolarHBondContact N-OG 2.97Å; R9-S52 PolarHBondContact O-N 3.36Å; S52-P81 WeakPolarHBondContact O-CD 3.3Å
53G98.9Very high96.8Very high0 Ų044.5 Ų44.50%024%0.242CC..EExtended strand (participates in β ladder)trans-169.5157.9174.300000110.5I10 L11 P51 P81I10-G53 WeakPolarHBondContact CA-O 3.43Å; L11-G53 PolarHBondContact N-O 3.34Å; L11-G53 VanDerWaalsContact N-O 3.07Å; P51-G53 VanDerWaalsContact C-N 3.32Å; G53-P81 WeakPolarHBondContact CA-O 3.32Å
54I98.9Very high96.5Very high0 Ų043.4 Ų43.40%024%0.241CC..EExtended strand (participates in β ladder)trans-122.6134.2-176.4-54.6173.6000109.5L11 L13 I46 P51 L56 V75 V80 P81 V82 F83L11-I54 HydrophobicContact CB-CG1 4.41Å; L11-I54 CarbonylContact O-C 3.58Å; L11-I54 VanDerWaalsContact O-CA 3.3Å; L11-I54 WeakPolarHBondContact O-CA 3.42Å; L13-I54 HydrophobicContact CG-CG2 4.46Å; I46-I54 HydrophobicContact CG2-CD1 4.37Å; P51-I54 HydrophobicContact CB-CG1 4.14Å; P51-I54 HydrophobicContact CG-CD1 4.04Å; P51-I54 HydrophobicContact CG-CG1 3.81Å; I54-L56 HydrophobicContact CG2-CD2 3.92Å; I54-V75 HydrophobicContact CB-CG1 4.48Å; I54-V75 HydrophobicContact CD1-CB 4.32Å; I54-V75 HydrophobicContact CD1-CG1 3.99Å; I54-V75 HydrophobicContact CD1-CG2 4.28Å; I54-V75 HydrophobicContact CG2-CG1 4.07Å; I54-V80 HydrophobicContact CD1-CG2 4.14Å; I54-V80 HydrophobicContact CG1-CG2 4.13Å; I54-P81 PolarHBondContact N-O 2.85Å; I54-V82 HydrophobicContact CB-CG2 4.4Å; I54-V82 CarbonylContact O-C 3.59Å; I54-V82 VanDerWaalsContact O-CA 3.3Å; I54-V82 WeakPolarHBondContact O-CA 3.36Å; I54-F83 PolarHBondContact O-N 2.88Å
55I98.9Very high96.2Very high0 Ų046.3 Ų46.30%024%0.243CC..EExtended strand (participates in β ladder)trans-112.2128.3171.2-57.1176.2000108.8I10 L11 I12 L13 V23 V27 F83 V85 L194 F197I10-I55 HydrophobicContact CG2-CD1 3.87Å; I10-I55 HydrophobicContact CG2-CG1 3.91Å; L11-I55 PolarHBondContact O-N 3.11Å; I12-I55 CarbonylContact C-O 3.57Å; I12-I55 WeakPolarHBondContact CA-O 3.49Å; I12-I55 HydrophobicContact CG1-CB 4.23Å; I12-I55 HydrophobicContact CG1-CD1 4.47Å; L13-I55 PolarHBondContact N-O 3.12Å; V23-I55 HydrophobicContact CG1-CD1 4.03Å; V23-I55 HydrophobicContact CG1-CG2 3.96Å; V27-I55 HydrophobicContact CG2-CD1 3.89Å; I55-F83 CarbonylContact C-O 3.14Å; I55-F83 VanDerWaalsContact CA-O 3.3Å; I55-F83 WeakPolarHBondContact CA-O 3.46Å; I55-F83 HydrophobicContact CG1-CB 4.38Å; I55-V85 HydrophobicContact CG2-CG2 4.37Å; I55-L194 HydrophobicContact CD1-CD2 4.45Å; I55-F197 HydrophobicContact CD1-CD1 4.36Å; I55-F197 HydrophobicContact CD1-CE1 4.34Å; I55-F197 HydrophobicContact CG1-CD1 4.21Å; I55-F197 HydrophobicContact CG1-CE1 3.75Å
56L98.8Very high95.8Very high0 Ų050.9 Ų50.90%027%0.265CS..EExtended strand (participates in β ladder)trans-100.9113.9173.8-50.6-179.1000107.6L13 F15 I54 A71 V75 F76 V82 F83 V85 T91L13-L56 HydrophobicContact CB-CD2 4.02Å; L13-L56 HydrophobicContact CD1-CD2 3.84Å; L13-L56 HydrophobicContact CG-CD2 4.23Å; F15-L56 HydrophobicContact CD2-CB 4.37Å; F15-L56 HydrophobicContact CE2-CB 3.83Å; F15-L56 HydrophobicContact CE2-CD2 4.05Å; F15-L56 HydrophobicContact CE2-CG 4.41Å; I54-L56 HydrophobicContact CG2-CD2 3.92Å; L56-A71 HydrophobicContact CD1-CB 4.16Å; L56-A71 HydrophobicContact CD2-CB 4.28Å; L56-V75 HydrophobicContact CD1-CG1 4.48Å; L56-V75 HydrophobicContact CD2-CG1 4.09Å; L56-F76 HydrophobicContact CD1-CE1 4Å; L56-F76 HydrophobicContact CD1-CZ 3.94Å; L56-V82 HydrophobicContact CD1-CG1 3.96Å; L56-V82 HydrophobicContact CG-CG1 4Å; L56-F83 PolarHBondContact N-O 3.34Å; L56-V85 PolarHBondContact O-N 3.25Å; L56-T91 HydrophobicContact CD1-CG2 4.29Å
57S97.6Very high95.5Very high1 Ų157.9 Ų57.91%0.00730%0.302CS..  trans-73.2171.4-175.680.30000112.6L13 D14 F15 T20 V85 G88L13-S57 PolarHBondContact O-N 3.05Å; L13-S57 PolarHBondContact O-OG 3.33Å; D14-S57 WeakPolarHBondContact CA-OG 3.33Å; D14-S57 PolarHBondContact OD1-OG 2.96Å; F15-S57 PolarHBondContact N-OG 3.25Å; T20-S57 WeakPolarHBondContact OG1-CB 3.34Å; T20-S57 PolarHBondContact OG1-OG 3.14Å; T20-S57 VanDerWaalsContact OG1-OG 3.04Å; S57-V85 CarbonylContact C-O 3.56Å; S57-V85 VanDerWaalsContact C-O 3.29Å; S57-G88 PolarHBondContact O-N 3.46Å
58G94.7Very high95.3Very high0 Ų052.3 Ų52.30%028%0.283CS..  trans-66.8174.4166.900000112.2F15 S17 V85F15-G58 CarbonylContact C-O 3.5Å; F15-G58 WeakPolarHBondContact CB-O 3.49Å; S17-G58 WeakPolarHBondContact CB-O 3.48Å; S17-G58 PolarHBondContact N-O 2.82Å; G58-V85 VanDerWaalsContact CA-O 3.25Å; G58-V85 WeakPolarHBondContact CA-O 3.22Å; G58-V85 PolarHBondContact N-O 3.3Å; G58-V85 VanDerWaalsContact N-O 3.12Å
59G92.3Very high95.3Very high18 Ų1846.1 Ų46.119%0.18625%0.251CS..  trans-161.5155.5178.600000110.3F15 E61F15-G59 VanDerWaalsContact O-CA 3.3Å; F15-G59 WeakPolarHBondContact O-CA 3.37Å; G59-E61 VanDerWaalsContact C-N 3.29Å
60P90.1Very high95.2Very high102 Ų10248.6 Ų48.666%0.66226%0.26SS*.SBendtrans-79.8-15.5177.833.2-35.7000112.9G16G16-P60 WeakPolarHBondContact O-CD 3.16Å
61E92Very high95.2Very high111 Ų11143 Ų4352%0.51923%0.231SC..SBendtrans-73.9167.2-176.1-55.9-71.7-154.600111.5G59 P69 Y87G59-E61 VanDerWaalsContact C-N 3.29Å; E61-P69 HydrophobicContact CB-CG 4.42Å; E61-P69 HydrophobicContact CG-CG 3.97Å; E61-Y87 HydrophobicContact CB-CE2 3.89Å; E61-Y87 WeakPolarHBondContact O-CD2 3.36Å; E61-Y87 WeakPolarHBondContact O-CE2 3.38Å
62S92.7Very high95.2Very high22 Ų2243.8 Ų43.815%0.15424%0.235CC..  trans-107.3136.2173.1169.80000110.2T64 E65 S68 D145S62-T64 PolarHBondContact O-N 3.14Å; S62-T64 PolarHBondContact OG-N 3.08Å; S62-T64 PolarHBondContact OG-OG1 3.28Å; S62-E65 PolarHBondContact O-N 3.19Å; S62-S68 WeakPolarHBondContact O-CB 3.5Å; S62-S68 PolarHBondContact O-OG 3.24Å; S62-S68 VanDerWaalsContact O-OG 3.09Å; S62-D145 WeakPolarHBondContact CA-OD2 3.16Å; S62-D145 WeakPolarHBondContact CB-OD2 3.41Å; S62-D145 PolarHBondContact OG-OD2 3.07Å
63T94Very high95.2Very high1 Ų146.5 Ų46.51%0.00625%0.245CC..THydrogen-bonded Turntrans-71.9-12.2175.354.40000112.9E65 S68 R70 Y87 Q90 V100 D145T63-E65 VanDerWaalsContact C-N 3.29Å; T63-S68 PolarHBondContact O-OG 2.75Å; T63-R70 PolarHBondContact O-NH2 3.45Å; T63-Y87 HydrophobicContact CG2-CD2 4.26Å; T63-Y87 HydrophobicContact CG2-CE1 4.2Å; T63-Y87 HydrophobicContact CG2-CE2 3.64Å; T63-Q90 HydrophobicContact CG2-CB 3.95Å; T63-V100 WeakPolarHBondContact OG1-CB 3.24Å; T63-V100 WeakPolarHBondContact OG1-CG1 3.48Å; T63-D145 PolarHBondContact N-OD2 3.03Å
64T92.4Very high95.2Very high66 Ų6647.9 Ų47.941%0.40525%0.251SS..THydrogen-bonded Turntrans-78.9-14.9178.9650000113S62 V100 A102S62-T64 PolarHBondContact O-N 3.14Å; S62-T64 PolarHBondContact OG-N 3.08Å; S62-T64 PolarHBondContact OG-OG1 3.28Å; T64-V100 WeakPolarHBondContact CG2-O 3.31Å; T64-A102 HydrophobicContact CG2-CB 4.47Å
65E92.7Very high95.2Very high129 Ų12947.9 Ų47.960%0.60325%0.251SS*.SBendtrans-76.2141178-67.8-72.9-175.900111.9S62 T63 N67 S68S62-E65 PolarHBondContact O-N 3.19Å; T63-E65 VanDerWaalsContact C-N 3.29Å; E65-N67 PolarHBondContact O-N 2.88Å; E65-S68 WeakPolarHBondContact O-CB 3.34Å; E65-S68 PolarHBondContact O-N 2.74Å; E65-S68 PolarHBondContact O-OG 2.93Å
66E88.2Confident95.2Very high182 Ų18248.7 Ų48.785%0.8525%0.254SS*.THydrogen-bonded Turntrans-61.1-37-167.4-170.7173.6-149.100114.2
67N92.7Very high95.2Very high148 Ų14854.5 Ų54.579%0.79128%0.281SS*.THydrogen-bonded Turntrans-113.126-179-65.6-69.5000112.4E65E65-N67 PolarHBondContact O-N 2.88Å
68S94.7Very high95.2Very high13 Ų1355.6 Ų55.69%0.09129%0.291CS..  trans-67.7150.9178.652.10000111.8S62 T63 E65 R70 Y87S62-S68 WeakPolarHBondContact O-CB 3.5Å; S62-S68 PolarHBondContact O-OG 3.24Å; S62-S68 VanDerWaalsContact O-OG 3.09Å; T63-S68 PolarHBondContact O-OG 2.75Å; E65-S68 WeakPolarHBondContact O-CB 3.34Å; E65-S68 PolarHBondContact O-N 2.74Å; E65-S68 PolarHBondContact O-OG 2.93Å; S68-R70 PolarHBondContact O-NH1 2.72Å; S68-R70 VanDerWaalsContact OG-CZ 3.28Å; S68-R70 PolarHBondContact OG-NH1 2.94Å; S68-R70 PolarHBondContact OG-NH2 3.5Å; S68-Y87 WeakPolarHBondContact CB-OH 3.2Å
69P96.7Very high95.4Very high11 Ų1158.5 Ų58.57%0.07132%0.32CS..  trans-48140.6178.2-34.340.1000114.9F15 W39 E61 Y87F15-P69 HydrophobicContact CD1-CB 3.57Å; F15-P69 HydrophobicContact CE1-CB 3.98Å; W39-P69 HydrophobicContact CD2-CB 3.81Å; W39-P69 VanDerWaalsContact CE2-CB 3.46Å; W39-P69 HydrophobicContact CE3-CB 4.47Å; W39-P69 HydrophobicContact CG-CB 4.08Å; W39-P69 HydrophobicContact CH2-CB 4.47Å; W39-P69 HydrophobicContact CZ2-CB 3.84Å; W39-P69 HydrophobicContact CZ2-CG 4.02Å; E61-P69 HydrophobicContact CB-CG 4.42Å; E61-P69 HydrophobicContact CG-CG 3.97Å; P69-Y87 HydrophobicContact CB-CE1 4.06Å; P69-Y87 PolarHBondContact O-OH 3.38Å
70R97.9Very high95.7Very high63 Ų6358.9 Ų58.924%0.23832%0.319CS..  trans-137.1143.5177.3-69.7-63.5-179.2-85.7-9.7111.7W39 T63 S68 Y87 T91W39-R70 WeakPolarHBondContact CZ3-O 3.45Å; T63-R70 PolarHBondContact O-NH2 3.45Å; S68-R70 PolarHBondContact O-NH1 2.72Å; S68-R70 VanDerWaalsContact OG-CZ 3.28Å; S68-R70 PolarHBondContact OG-NH1 2.94Å; S68-R70 PolarHBondContact OG-NH2 3.5Å; R70-Y87 PolarHBondContact NH1-OH 2.92Å; R70-T91 VanDerWaalsContact CD-OG1 3.28Å; R70-T91 WeakPolarHBondContact CD-OG1 3.45Å
71A98.3Very high96.1Very high4 Ų454.1 Ų54.13%0.03329%0.288CS..  trans-66140.1171.600000109.4F15 L56 Q73 V75 F76 Q95F15-A71 HydrophobicContact CZ-CB 4Å; L56-A71 HydrophobicContact CD1-CB 4.16Å; L56-A71 HydrophobicContact CD2-CB 4.28Å; A71-Q73 PolarHBondContact O-N 2.9Å; A71-V75 HydrophobicContact CB-CB 4.48Å; A71-V75 HydrophobicContact CB-CG2 4.37Å; A71-F76 HydrophobicContact CB-CE2 3.98Å; A71-F76 HydrophobicContact CB-CZ 3.99Å; A71-Q95 VanDerWaalsContact N-OE1 3.08Å; A71-Q95 PolarHBondContact O-NE2 3.4Å
72P98.3Very high96.4Very high23 Ų2348.8 Ų48.815%0.14926%0.263CS..  trans-54.2131.8168.3-26.136.1000109.6W39 V41 I46 Y74 V75W39-P72 WeakPolarHBondContact O-CD 3.25Å; V41-P72 HydrophobicContact CG2-CG 4.04Å; V41-P72 WeakPolarHBondContact O-CG 3.3Å; I46-P72 HydrophobicContact CD1-CB 4.04Å; I46-P72 HydrophobicContact CD1-CG 4.1Å; P72-Y74 PolarHBondContact O-N 3.42Å; P72-V75 HydrophobicContact CB-CG2 4.46Å; P72-V75 WeakPolarHBondContact O-CB 3.29Å; P72-V75 VanDerWaalsContact O-CG2 3.26Å; P72-V75 WeakPolarHBondContact O-CG2 3.48Å; P72-V75 PolarHBondContact O-N 3.33Å
73Q98.6Very high96.7Very high83 Ų8347.8 Ų47.839%0.38826%0.256SS..G310 helixtrans-57.2-32-172.2-166.865.410.800112.8A71 V75 F76 E77 Q95A71-Q73 PolarHBondContact O-N 2.9Å; Q73-V75 PolarHBondContact O-N 3.43Å; Q73-F76 PolarHBondContact O-N 2.97Å; Q73-E77 WeakPolarHBondContact CG-OE1 3.43Å; Q73-Q95 VanDerWaalsContact OE1-NE2 3.11Å
74Y98.7Very high97Very high28 Ų2847.7 Ų47.711%0.1126%0.256CS..G310 helixtrans-53.1-27.6174.8-179.9-112.3000113.9E43 I46 R47 P72 F76 E77 A78E43-Y74 HydrophobicContact CB-CD1 4.44Å; E43-Y74 HydrophobicContact CB-CG 4.24Å; E43-Y74 HydrophobicContact CG-CD1 3.88Å; E43-Y74 HydrophobicContact CG-CD2 3.97Å; E43-Y74 HydrophobicContact CG-CE1 4.47Å; E43-Y74 HydrophobicContact CG-CG 3.6Å; I46-Y74 HydrophobicContact CB-CD1 3.92Å; I46-Y74 HydrophobicContact CB-CE1 4.08Å; I46-Y74 HydrophobicContact CD1-CD1 4.4Å; I46-Y74 HydrophobicContact CG2-CD1 3.83Å; I46-Y74 HydrophobicContact CG2-CE1 3.76Å; R47-Y74 HydrophobicContact CG-CD1 4.37Å; R47-Y74 HydrophobicContact CG-CE1 3.52Å; R47-Y74 HydrophobicContact CG-CE2 4.32Å; R47-Y74 VanDerWaalsContact CG-CZ 3.5Å; R47-Y74 WeakPolarHBondContact CG-OH 3.46Å; R47-Y74 VanDerWaalsContact CZ-CZ 3.47Å; R47-Y74 PolarHBondContact NH1-OH 3.36Å; P72-Y74 PolarHBondContact O-N 3.42Å; Y74-F76 PolarHBondContact O-N 3.3Å; Y74-E77 HydrophobicContact CD2-CB 4.35Å; Y74-E77 CarbonylContact O-C 3.29Å; Y74-E77 PolarHBondContact O-N 2.84Å; Y74-A78 HydrophobicContact CD1-CB 4.41Å; Y74-A78 HydrophobicContact CE1-CB 3.86Å; Y74-A78 HydrophobicContact CE2-CB 4.14Å; Y74-A78 WeakPolarHBondContact O-CB 3.48Å; Y74-A78 PolarHBondContact O-N 3.49Å
75V98.7Very high97.2Very high0 Ų044.6 Ų44.60%024%0.236CC..G310 helixtrans-52-42.1173.9168.40000111.4L13 I46 I54 L56 A71 P72 Q73 E77 V82L13-V75 HydrophobicContact CD1-CG2 3.81Å; I46-V75 HydrophobicContact CD1-CG2 3.81Å; I54-V75 HydrophobicContact CB-CG1 4.48Å; I54-V75 HydrophobicContact CD1-CB 4.32Å; I54-V75 HydrophobicContact CD1-CG1 3.99Å; I54-V75 HydrophobicContact CD1-CG2 4.28Å; I54-V75 HydrophobicContact CG2-CG1 4.07Å; L56-V75 HydrophobicContact CD1-CG1 4.48Å; L56-V75 HydrophobicContact CD2-CG1 4.09Å; A71-V75 HydrophobicContact CB-CB 4.48Å; A71-V75 HydrophobicContact CB-CG2 4.37Å; P72-V75 HydrophobicContact CB-CG2 4.46Å; P72-V75 WeakPolarHBondContact O-CB 3.29Å; P72-V75 VanDerWaalsContact O-CG2 3.26Å; P72-V75 WeakPolarHBondContact O-CG2 3.48Å; P72-V75 PolarHBondContact O-N 3.33Å; Q73-V75 PolarHBondContact O-N 3.43Å; V75-E77 VanDerWaalsContact C-N 3.3Å; V75-V82 HydrophobicContact CG1-CG1 3.97Å; V75-V82 HydrophobicContact CG1-CG2 4Å; V75-V82 WeakPolarHBondContact O-CG2 3.49Å
76F98.8Very high97.3Very high17 Ų1738.7 Ų38.78%0.07521%0.21CC..G310 helixtrans-87.10.5-179.1-49.8-66.3000113.1L56 A71 Q73 Y74 V82 M92 Q95 L96 F175L56-F76 HydrophobicContact CD1-CE1 4Å; L56-F76 HydrophobicContact CD1-CZ 3.94Å; A71-F76 HydrophobicContact CB-CE2 3.98Å; A71-F76 HydrophobicContact CB-CZ 3.99Å; Q73-F76 PolarHBondContact O-N 2.97Å; Y74-F76 PolarHBondContact O-N 3.3Å; F76-V82 HydrophobicContact CE1-CG1 4.27Å; F76-M92 HydrophobicContact CE1-CB 4.01Å; F76-M92 HydrophobicContact CE1-CE 4.08Å; F76-M92 HydrophobicContact CE1-CG 3.86Å; F76-M92 HydrophobicContact CZ-CB 4.19Å; F76-M92 HydrophobicContact CZ-CG 4.46Å; F76-Q95 HydrophobicContact CE2-CB 4.04Å; F76-L96 HydrophobicContact CB-CD2 4.21Å; F76-L96 HydrophobicContact CD1-CD1 4.23Å; F76-L96 HydrophobicContact CD2-CD2 4.47Å; F76-L96 HydrophobicContact CG-CD1 4.5Å; F76-L96 HydrophobicContact CG-CD2 4.24Å; F76-F175 HydrophobicContact CB-CE2 3.99Å; F76-F175 HydrophobicContact CB-CZ 4.17Å; F76-F175 HydrophobicContact CD1-CE2 4.23Å; F76-F175 VanDerWaalsContact O-CZ 3.3Å; F76-F175 WeakPolarHBondContact O-CZ 3.4Å
77E98.6Very high97.7Very high122 Ų12230 Ų3057%0.5717%0.169SC*.THydrogen-bonded Turntrans-118.3-12.9-176.8-61.1169171.800112.4Q73 Y74 V75 G79Q73-E77 WeakPolarHBondContact CG-OE1 3.43Å; Y74-E77 HydrophobicContact CD2-CB 4.35Å; Y74-E77 CarbonylContact O-C 3.29Å; Y74-E77 PolarHBondContact O-N 2.84Å; V75-E77 VanDerWaalsContact C-N 3.3Å; E77-G79 PolarHBondContact O-N 3.17Å
78A98.1Very high97.9Very high25 Ų2523 Ų2321%0.20713%0.131CC..SBendtrans-64.4-12.4-175.800000114.6Y74 V80Y74-A78 HydrophobicContact CD1-CB 4.41Å; Y74-A78 HydrophobicContact CE1-CB 3.86Å; Y74-A78 HydrophobicContact CE2-CB 4.14Å; Y74-A78 WeakPolarHBondContact O-CB 3.48Å; Y74-A78 PolarHBondContact O-N 3.49Å; A78-V80 VanDerWaalsContact C-N 3.29Å; A78-V80 HydrophobicContact CB-CG2 4.08Å; A78-V80 PolarHBondContact O-N 3.28Å
79G98.3Very high98.1Very high60 Ų6022.4 Ų22.462%0.61913%0.127SC*.SBendtrans7711.5178.500000114.7E77 R174E77-G79 PolarHBondContact O-N 3.17Å; G79-R174 PolarHBondContact O-NH2 3.12Å
80V98.8Very high98.1Very high27 Ų2722.1 Ų22.116%0.16413%0.125CC..SBendtrans-111.8157.6176.7-60.90000110.9P51 I54 A78P51-V80 WeakPolarHBondContact O-CG1 3.46Å; I54-V80 HydrophobicContact CD1-CG2 4.14Å; I54-V80 HydrophobicContact CG1-CG2 4.13Å; A78-V80 VanDerWaalsContact C-N 3.29Å; A78-V80 HydrophobicContact CB-CG2 4.08Å; A78-V80 PolarHBondContact O-N 3.28Å
81P98.9Very high98.1Very high1 Ų119.1 Ų19.11%0.00611%0.114CC..  trans-60.5147.1178.3-22.734.8000112.7S52 G53 I54 R174 F197 I201S52-P81 WeakPolarHBondContact O-CD 3.3Å; G53-P81 WeakPolarHBondContact CA-O 3.32Å; I54-P81 PolarHBondContact N-O 2.85Å; P81-R174 VanDerWaalsContact CA-O 3.28Å; P81-R174 WeakPolarHBondContact CA-O 3.39Å; P81-R174 HydrophobicContact CB-CB 3.92Å; P81-R174 WeakPolarHBondContact CB-O 3.42Å; P81-R174 HydrophobicContact CG-CB 4.02Å; P81-F197 HydrophobicContact CB-CE2 3.64Å; P81-F197 HydrophobicContact CB-CZ 3.96Å; P81-I201 HydrophobicContact CB-CG2 3.79Å; P81-I201 HydrophobicContact CG-CG2 3.82Å
82V99Very high98.1Very high0 Ų019 Ų190%011%0.112CC..EExtended strand (participates in β ladder)trans-128.5131.9177.5-174.60000109.6I54 L56 V75 F76 M92 R174 F175 Y176I54-V82 HydrophobicContact CB-CG2 4.4Å; I54-V82 CarbonylContact O-C 3.59Å; I54-V82 VanDerWaalsContact O-CA 3.3Å; I54-V82 WeakPolarHBondContact O-CA 3.36Å; L56-V82 HydrophobicContact CD1-CG1 3.96Å; L56-V82 HydrophobicContact CG-CG1 4Å; V75-V82 HydrophobicContact CG1-CG1 3.97Å; V75-V82 HydrophobicContact CG1-CG2 4Å; V75-V82 WeakPolarHBondContact O-CG2 3.49Å; F76-V82 HydrophobicContact CE1-CG1 4.27Å; V82-M92 HydrophobicContact CB-CE 3.98Å; V82-M92 HydrophobicContact CG1-CE 3.53Å; V82-R174 PolarHBondContact N-O 3.29Å; V82-R174 VanDerWaalsContact N-O 3.12Å; V82-F175 HydrophobicContact CB-CD1 3.73Å; V82-F175 HydrophobicContact CB-CE1 4.08Å; V82-F175 HydrophobicContact CB-CG 4.41Å; V82-F175 HydrophobicContact CG2-CD1 3.79Å; V82-F175 HydrophobicContact CG2-CE1 3.58Å; V82-F175 HydrophobicContact CG2-CZ 4.36Å; V82-F175 WeakPolarHBondContact O-CA 3.27Å; V82-Y176 PolarHBondContact O-N 3.21Å
83F98.9Very high98.1Very high0 Ų017.9 Ų17.90%011%0.105CC..EExtended strand (participates in β ladder)trans-120.8110.1176.5-172.8-153.1000111.4I54 I55 L56 V85 L121 Y176 V178 P182 M193 L194 F197I54-F83 PolarHBondContact O-N 2.88Å; I55-F83 CarbonylContact C-O 3.14Å; I55-F83 VanDerWaalsContact CA-O 3.3Å; I55-F83 WeakPolarHBondContact CA-O 3.46Å; I55-F83 HydrophobicContact CG1-CB 4.38Å; L56-F83 PolarHBondContact N-O 3.34Å; F83-V85 HydrophobicContact CD1-CG2 4.44Å; F83-V85 HydrophobicContact CE1-CG2 4.28Å; F83-V85 HydrophobicContact CZ-CG2 4.46Å; F83-L121 HydrophobicContact CD2-CD2 4.39Å; F83-L121 HydrophobicContact CE2-CD2 3.71Å; F83-L121 HydrophobicContact CZ-CD1 4.48Å; F83-L121 HydrophobicContact CZ-CD2 4.19Å; F83-Y176 CarbonylContact C-O 3.58Å; F83-Y176 WeakPolarHBondContact CA-O 3.31Å; F83-V178 HydrophobicContact CE2-CB 4.2Å; F83-V178 HydrophobicContact CE2-CG1 3.61Å; F83-V178 HydrophobicContact CE2-CG2 3.59Å; F83-V178 HydrophobicContact CZ-CB 4.49Å; F83-V178 HydrophobicContact CZ-CG1 3.97Å; F83-V178 HydrophobicContact CZ-CG2 3.66Å; F83-P182 HydrophobicContact CE1-CG 3.99Å; F83-P182 HydrophobicContact CZ-CG 4.07Å; F83-M193 HydrophobicContact CZ-CG 4.47Å; F83-M193 HydrophobicContact CZ-SD 4.32Å; F83-L194 HydrophobicContact CD1-CD2 4.34Å; F83-L194 HydrophobicContact CE1-CD2 3.99Å; F83-F197 HydrophobicContact CB-CD1 3.91Å; F83-F197 HydrophobicContact CB-CD2 3.79Å; F83-F197 HydrophobicContact CB-CE1 3.67Å; F83-F197 HydrophobicContact CB-CE2 3.55Å; F83-F197 HydrophobicContact CB-CG 3.97Å; F83-F197 HydrophobicContact CB-CZ 3.48Å; F83-F197 VanDerWaalsContact CB-CZ 3.48Å; F83-F197 HydrophobicContact CD1-CB 4.35Å; F83-F197 HydrophobicContact CD1-CD1 4.13Å; F83-F197 HydrophobicContact CD1-CG 4.07Å; F83-F197 HydrophobicContact CG-CD1 4.41Å; F83-F197 HydrophobicContact CG-CD2 4.26Å; F83-F197 HydrophobicContact CG-CE2 4.48Å; F83-F197 HydrophobicContact CG-CG 4.23Å
84G98.6Very high98.1Very high0 Ų017 Ų170%010%0.102CC..EExtended strand (participates in β ladder)trans-91.9126.9176.100000112.4G88 Y176 G177 V178G84-G88 VanDerWaalsContact CA-C 3.5Å; G84-Y176 PolarHBondContact N-O 3.49Å; G84-G177 CarbonylContact O-C 3.54Å; G84-G177 WeakPolarHBondContact O-CA 3.24Å; G84-V178 PolarHBondContact O-N 3.07Å
85V97.9Very high98.1Very high0 Ų017.6 Ų17.60%011%0.105CC..EExtended strand (participates in β ladder)trans-111.3120.6177.4-179.30000109.4I55 L56 S57 G58 F83 Y87 G88 V178 F180 P182I55-V85 HydrophobicContact CG2-CG2 4.37Å; L56-V85 PolarHBondContact O-N 3.25Å; S57-V85 CarbonylContact C-O 3.56Å; S57-V85 VanDerWaalsContact C-O 3.29Å; G58-V85 VanDerWaalsContact CA-O 3.25Å; G58-V85 WeakPolarHBondContact CA-O 3.22Å; G58-V85 PolarHBondContact N-O 3.3Å; G58-V85 VanDerWaalsContact N-O 3.12Å; F83-V85 HydrophobicContact CD1-CG2 4.44Å; F83-V85 HydrophobicContact CE1-CG2 4.28Å; F83-V85 HydrophobicContact CZ-CG2 4.46Å; V85-Y87 PolarHBondContact O-N 2.9Å; V85-G88 PolarHBondContact O-N 3.39Å; V85-V178 HydrophobicContact CB-CG2 4.47Å; V85-V178 HydrophobicContact CG1-CG2 4.48Å; V85-V178 HydrophobicContact CG2-CG2 4.18Å; V85-F180 WeakPolarHBondContact CG1-O 3.44Å; V85-P182 HydrophobicContact CG2-CG 4.39Å
86C95.3Very high98.1Very high6 Ų619.9 Ų19.94%0.04112%0.118CC..THydrogen-bonded Turntrans50.7-104.2-178.6-175.70000112.9G88 M89 Q90 S142 V178 Q179C86-G88 PolarHBondContact O-N 3.49Å; C86-M89 WeakPolarHBondContact O-CA 3.34Å; C86-M89 VanDerWaalsContact O-CB 3.31Å; C86-M89 WeakPolarHBondContact O-CB 3.23Å; C86-M89 PolarHBondContact O-N 2.86Å; C86-Q90 PolarHBondContact O-N 2.62Å; C86-S142 PolarHBondContact SG-O 3.19Å; C86-V178 PolarHBondContact N-O 2.89Å; C86-Q179 PolarHBondContact SG-NE2 2.99Å; C86-Q179 VanDerWaalsContact SG-NE2 3.4Å
87Y95.9Very high98Very high0 Ų021.8 Ų21.80%014%0.142CC..Hα-helixtrans-55.7-38.7174.9-169.5-88.1000112.3F15 E61 T63 S68 P69 R70 V85 M89 Q90 T91F15-Y87 HydrophobicContact CB-CD1 3.69Å; F15-Y87 HydrophobicContact CB-CE1 4.24Å; F15-Y87 HydrophobicContact CB-CG 4.41Å; F15-Y87 AromaticContact CD1-CD1 3.59Å; F15-Y87 HydrophobicContact CD1-CD1 3.59Å; F15-Y87 AromaticContact CD1-CE1 3.42Å; F15-Y87 HydrophobicContact CD1-CE1 3.42Å; F15-Y87 VanDerWaalsContact CD1-CE1 3.42Å; F15-Y87 HydrophobicContact CD2-CD1 4.44Å; F15-Y87 HydrophobicContact CE1-CD1 4.33Å; F15-Y87 AromaticContact CE1-CE1 3.98Å; F15-Y87 HydrophobicContact CE1-CE1 3.98Å; F15-Y87 AromaticContact CG-CD1 3.65Å; F15-Y87 HydrophobicContact CG-CD1 3.65Å; F15-Y87 AromaticContact CG-CE1 4Å; F15-Y87 HydrophobicContact CG-CE1 4Å; E61-Y87 HydrophobicContact CB-CE2 3.89Å; E61-Y87 WeakPolarHBondContact O-CD2 3.36Å; E61-Y87 WeakPolarHBondContact O-CE2 3.38Å; T63-Y87 HydrophobicContact CG2-CD2 4.26Å; T63-Y87 HydrophobicContact CG2-CE1 4.2Å; T63-Y87 HydrophobicContact CG2-CE2 3.64Å; S68-Y87 WeakPolarHBondContact CB-OH 3.2Å; P69-Y87 HydrophobicContact CB-CE1 4.06Å; P69-Y87 PolarHBondContact O-OH 3.38Å; R70-Y87 PolarHBondContact NH1-OH 2.92Å; V85-Y87 PolarHBondContact O-N 2.9Å; Y87-M89 VanDerWaalsContact C-N 3.25Å; Y87-M89 PolarHBondContact O-N 3.09Å; Y87-Q90 PolarHBondContact O-N 3.36Å; Y87-Q90 VanDerWaalsContact O-N 3.09Å; Y87-T91 PolarHBondContact O-N 3.47Å
88G97.7Very high98Very high0 Ų016.3 Ų16.30%012%0.118CC..Hα-helixtrans-59.2-35174.600000113.2S57 G84 V85 C86 T91 M92S57-G88 PolarHBondContact O-N 3.46Å; G84-G88 VanDerWaalsContact CA-C 3.5Å; V85-G88 PolarHBondContact O-N 3.39Å; C86-G88 PolarHBondContact O-N 3.49Å; G88-T91 WeakPolarHBondContact O-CG2 3.45Å; G88-M92 VanDerWaalsContact O-CB 3.31Å; G88-M92 WeakPolarHBondContact O-CB 3.48Å; G88-M92 PolarHBondContact O-N 2.88Å
89M98Very high98Very high0 Ų020.6 Ų20.60%013%0.134CC..Hα-helixtrans-70.6-43172.6171.3-17617700111.2C86 Y87 M92 A93 V147 F165 M168 G177 Q179C86-M89 WeakPolarHBondContact O-CA 3.34Å; C86-M89 VanDerWaalsContact O-CB 3.31Å; C86-M89 WeakPolarHBondContact O-CB 3.23Å; C86-M89 PolarHBondContact O-N 2.86Å; Y87-M89 VanDerWaalsContact C-N 3.25Å; Y87-M89 PolarHBondContact O-N 3.09Å; M89-M92 WeakPolarHBondContact O-CB 3.28Å; M89-M92 PolarHBondContact O-N 3.02Å; M89-A93 PolarHBondContact O-N 2.96Å; M89-V147 HydrophobicContact CE-CG2 4.08Å; M89-F165 HydrophobicContact CE-CB 4.22Å; M89-F165 WeakPolarHBondContact CE-O 3.46Å; M89-M168 HydrophobicContact CE-CB 4.07Å; M89-M168 HydrophobicContact CE-CG 3.64Å; M89-M168 HydrophobicContact CE-SD 3.91Å; M89-M168 HydrophobicContact CG-CE 3.89Å; M89-M168 HydrophobicContact CG-CG 4.4Å; M89-M168 HydrophobicContact CG-SD 4.4Å; M89-M168 WeakPolarHBondContact O-CE 3.48Å; M89-G177 VanDerWaalsContact SD-C 3.5Å; M89-Q179 HydrophobicContact SD-CB 4.06Å
90Q97.3Very high97.8Very high6 Ų618.3 Ų18.33%0.02811%0.108CC..Hα-helixtrans-65.2-45.3-178.9-68169-5.300111.9T63 C86 Y87 M92 A93 M94 V100 D145 V147T63-Q90 HydrophobicContact CG2-CB 3.95Å; C86-Q90 PolarHBondContact O-N 2.62Å; Y87-Q90 PolarHBondContact O-N 3.36Å; Y87-Q90 VanDerWaalsContact O-N 3.09Å; Q90-M92 VanDerWaalsContact C-N 3.31Å; Q90-M92 PolarHBondContact O-N 2.89Å; Q90-A93 PolarHBondContact O-N 3.48Å; Q90-M94 WeakPolarHBondContact O-CG 3.24Å; Q90-M94 PolarHBondContact O-N 2.87Å; Q90-V100 HydrophobicContact CB-CG2 3.98Å; Q90-V100 HydrophobicContact CG-CG1 4.49Å; Q90-V100 HydrophobicContact CG-CG2 4.31Å; Q90-D145 PolarHBondContact NE2-O 3.49Å; Q90-V147 HydrophobicContact CG-CG2 4.17Å
91T97.8Very high97.5Very high0 Ų023 Ų230%013%0.128CC..Hα-helixtrans-65.7-35.9176.6-162.50000111.3F15 L56 R70 Y87 G88 Q95F15-T91 HydrophobicContact CE1-CG2 4.44Å; F15-T91 HydrophobicContact CZ-CG2 4.13Å; L56-T91 HydrophobicContact CD1-CG2 4.29Å; R70-T91 VanDerWaalsContact CD-OG1 3.28Å; R70-T91 WeakPolarHBondContact CD-OG1 3.45Å; Y87-T91 PolarHBondContact O-N 3.47Å; G88-T91 WeakPolarHBondContact O-CG2 3.45Å; T91-Q95 VanDerWaalsContact O-CB 3.3Å; T91-Q95 WeakPolarHBondContact O-CB 3.25Å; T91-Q95 VanDerWaalsContact O-CG 3.26Å; T91-Q95 WeakPolarHBondContact O-CG 3.35Å; T91-Q95 PolarHBondContact O-N 2.91Å; T91-Q95 PolarHBondContact OG1-OE1 2.88Å
92M98.7Very high96.8Very high0 Ų026.1 Ų26.10%015%0.154CC..Hα-helixtrans-60.9-46.1171.7176.5-174-69.500111.2F76 V82 G88 M89 Q90 L96 F154 M168 F175F76-M92 HydrophobicContact CE1-CB 4.01Å; F76-M92 HydrophobicContact CE1-CE 4.08Å; F76-M92 HydrophobicContact CE1-CG 3.86Å; F76-M92 HydrophobicContact CZ-CB 4.19Å; F76-M92 HydrophobicContact CZ-CG 4.46Å; V82-M92 HydrophobicContact CB-CE 3.98Å; V82-M92 HydrophobicContact CG1-CE 3.53Å; G88-M92 VanDerWaalsContact O-CB 3.31Å; G88-M92 WeakPolarHBondContact O-CB 3.48Å; G88-M92 PolarHBondContact O-N 2.88Å; M89-M92 WeakPolarHBondContact O-CB 3.28Å; M89-M92 PolarHBondContact O-N 3.02Å; Q90-M92 VanDerWaalsContact C-N 3.31Å; Q90-M92 PolarHBondContact O-N 2.89Å; M92-L96 HydrophobicContact CG-CD1 3.85Å; M92-L96 WeakPolarHBondContact O-CB 3.4Å; M92-L96 VanDerWaalsContact O-CG 3.31Å; M92-L96 WeakPolarHBondContact O-CG 3.31Å; M92-L96 PolarHBondContact O-N 3.36Å; M92-F154 HydrophobicContact CG-CZ 4.31Å; M92-F154 HydrophobicContact SD-CE1 3.79Å; M92-F154 HydrophobicContact SD-CZ 3.97Å; M92-M168 HydrophobicContact CB-CE 4.06Å; M92-M168 HydrophobicContact CG-CE 3.78Å; M92-M168 HydrophobicContact SD-CE 3.67Å; M92-F175 HydrophobicContact CE-CB 4.27Å; M92-F175 HydrophobicContact SD-CB 4.15Å
93A98.4Very high95.9Very high0 Ų027.9 Ų27.90%017%0.166CC..Hα-helixtrans-60.9-51.8177.500000111.3M89 Q90 Q95 L96 G97 G98 V147 M168M89-A93 PolarHBondContact O-N 2.96Å; Q90-A93 PolarHBondContact O-N 3.48Å; A93-Q95 PolarHBondContact O-N 3.17Å; A93-L96 PolarHBondContact O-N 2.84Å; A93-G97 PolarHBondContact O-N 3.08Å; A93-G98 VanDerWaalsContact O-CA 3.26Å; A93-G98 WeakPolarHBondContact O-CA 3.28Å; A93-G98 PolarHBondContact O-N 3.13Å; A93-V147 HydrophobicContact CB-CG1 4.02Å; A93-V147 HydrophobicContact CB-CG2 4.02Å; A93-M168 HydrophobicContact CB-CE 4Å; A93-M168 HydrophobicContact CB-SD 4.32Å
94M97.8Very high94.4Very high64 Ų6436.1 Ų36.132%0.31521%0.21SC..Hα-helixtrans-59-45.5-179.5-73.6-75.1-73.700112.8Q90 L96 G97 V100Q90-M94 WeakPolarHBondContact O-CG 3.24Å; Q90-M94 PolarHBondContact O-N 2.87Å; M94-L96 PolarHBondContact O-N 2.9Å; M94-G97 PolarHBondContact O-N 3.47Å; M94-V100 HydrophobicContact CG-CB 3.96Å; M94-V100 HydrophobicContact CG-CG2 3.62Å; M94-V100 HydrophobicContact SD-CB 3.87Å; M94-V100 HydrophobicContact SD-CG2 4.09Å
95Q98.3Very high92.9Very high41 Ų4143.1 Ų43.119%0.19224%0.243CC..Hα-helixtrans-73.8-15.2-176.3-70.2-178.4-109.700113.8A71 Q73 F76 T91 A93A71-Q95 VanDerWaalsContact N-OE1 3.08Å; A71-Q95 PolarHBondContact O-NE2 3.4Å; Q73-Q95 VanDerWaalsContact OE1-NE2 3.11Å; F76-Q95 HydrophobicContact CE2-CB 4.04Å; T91-Q95 VanDerWaalsContact O-CB 3.3Å; T91-Q95 WeakPolarHBondContact O-CB 3.25Å; T91-Q95 VanDerWaalsContact O-CG 3.26Å; T91-Q95 WeakPolarHBondContact O-CG 3.35Å; T91-Q95 PolarHBondContact O-N 2.91Å; T91-Q95 PolarHBondContact OG1-OE1 2.88Å; A93-Q95 PolarHBondContact O-N 3.17Å
96L98.7Very high91.5Very high49 Ų4951.5 Ų51.526%0.25727%0.274SS..THydrogen-bonded Turntrans-109.913.5-179.4-60.6177.1000112.9F76 M92 A93 M94 P151 F154 F175F76-L96 HydrophobicContact CB-CD2 4.21Å; F76-L96 HydrophobicContact CD1-CD1 4.23Å; F76-L96 HydrophobicContact CD2-CD2 4.47Å; F76-L96 HydrophobicContact CG-CD1 4.5Å; F76-L96 HydrophobicContact CG-CD2 4.24Å; M92-L96 HydrophobicContact CG-CD1 3.85Å; M92-L96 WeakPolarHBondContact O-CB 3.4Å; M92-L96 VanDerWaalsContact O-CG 3.31Å; M92-L96 WeakPolarHBondContact O-CG 3.31Å; M92-L96 PolarHBondContact O-N 3.36Å; A93-L96 PolarHBondContact O-N 2.84Å; M94-L96 PolarHBondContact O-N 2.9Å; L96-P151 HydrophobicContact CB-CB 3.97Å; L96-P151 HydrophobicContact CB-CG 3.62Å; L96-P151 WeakPolarHBondContact O-CB 3.35Å; L96-F154 HydrophobicContact CD1-CE2 3.91Å; L96-F154 HydrophobicContact CD1-CZ 3.87Å; L96-F175 HydrophobicContact CD1-CD2 4.13Å; L96-F175 HydrophobicContact CD1-CE2 4.46Å
97G97.9Very high90.3Very high57 Ų5753.2 Ų53.259%0.58828%0.282SS*.THydrogen-bonded Turntrans93.56.6172.800000115.4A93 M94A93-G97 PolarHBondContact O-N 3.08Å; M94-G97 PolarHBondContact O-N 3.47Å
98G97.9Very high89.4Confident6 Ų659.2 Ų59.26%0.06231%0.308CS..  trans-74.1-178.6163.500000112.4A93 A149A93-G98 VanDerWaalsContact O-CA 3.26Å; A93-G98 WeakPolarHBondContact O-CA 3.28Å; A93-G98 PolarHBondContact O-N 3.13Å; G98-A149 CarbonylContact C-O 3.53Å; G98-A149 WeakPolarHBondContact CA-O 3.47Å
99H97Very high89Confident116 Ų11659.9 Ų59.954%0.53732%0.315SS..EExtended strand (participates in β ladder)trans-133139.5-179.5-62.380000110.4T148 A149H99-T148 PolarHBondContact O-N 3.38Å; H99-T148 PolarHBondContact O-OG1 3.33Å; H99-A149 HydrophobicContact CB-CB 4.11Å; H99-A149 PolarHBondContact N-O 3.33Å; H99-A149 PolarHBondContact O-N 3.34Å
100V95.4Very high88.7Confident12 Ų1266 Ų667%0.07334%0.339CS..EExtended strand (participates in β ladder)trans-120.9136.6173.41750000107.9T63 T64 Q90 M94 D145 K146 V147T63-V100 WeakPolarHBondContact OG1-CB 3.24Å; T63-V100 WeakPolarHBondContact OG1-CG1 3.48Å; T64-V100 WeakPolarHBondContact CG2-O 3.31Å; Q90-V100 HydrophobicContact CB-CG2 3.98Å; Q90-V100 HydrophobicContact CG-CG1 4.49Å; Q90-V100 HydrophobicContact CG-CG2 4.31Å; M94-V100 HydrophobicContact CG-CB 3.96Å; M94-V100 HydrophobicContact CG-CG2 3.62Å; M94-V100 HydrophobicContact SD-CB 3.87Å; M94-V100 HydrophobicContact SD-CG2 4.09Å; V100-D145 HydrophobicContact CG1-CB 3.63Å; V100-K146 WeakPolarHBondContact CA-O 3.43Å; V100-V147 HydrophobicContact CG2-CG2 4Å
101E91.6Very high88.6Confident125 Ų12566.2 Ų66.258%0.58434%0.342SS*.EExtended strand (participates in β ladder)trans-113.9141.5172.1-73.3-175.7175.300110.5S103 D145 K146 T148E101-S103 PolarHBondContact O-N 3.03Å; E101-D145 WeakPolarHBondContact O-CA 3.44Å; E101-D145 WeakPolarHBondContact O-CB 3.3Å; E101-K146 PolarHBondContact N-O 3.12Å; E101-K146 PolarHBondContact O-N 3.31Å; E101-T148 HydrophobicContact CB-CG2 3.8Å; E101-T148 HydrophobicContact CG-CG2 3.77Å
102A85.9Confident88.5Confident67 Ų6770 Ų7055%0.55436%0.36SS*.  trans-65.3131.7169.700000109.6T64 D145T64-A102 HydrophobicContact CG2-CB 4.47Å; A102-D145 WeakPolarHBondContact CA-OD1 3.43Å
103S78.2Confident88.5Confident37 Ų3770 Ų7026%0.25936%0.36SS..  trans-115133.5174.8-149.60000110.7E101 G144E101-S103 PolarHBondContact O-N 3.03Å; S103-G144 WeakPolarHBondContact CB-O 3.38Å
104N68.6Low88.4Confident173 Ų17372.5 Ų72.593%0.92537%0.371SS*.SBendtrans-70.3-26.7170.1-67.2-36.5000111.2R106N104-R106 PolarHBondContact O-N 3.36Å
105E66.5Low88.5Confident147 Ų14770.5 Ų70.569%0.68736%0.363SS*.SBendtrans-86.498.7176.4-69.1179.9-169.700109.4
106R68.5Low88.5Confident176 Ų17671.8 Ų71.866%0.66437%0.373SS*.  trans-83.8123.7172.3-49.6-167.8176.9-177.4-8.9109.4N104 F108 H143N104-R106 PolarHBondContact O-N 3.36Å; R106-F108 HydrophobicContact CB-CD2 3.73Å; R106-F108 HydrophobicContact CB-CE2 3.52Å; R106-F108 HydrophobicContact CG-CE2 4.25Å; R106-H143 WeakPolarHBondContact CA-O 3.32Å
107E70.1Confident88.4Confident42 Ų4273.4 Ų73.420%0.19638%0.382CS..EExtended strand (participates in β ladder)trans-95.2105.2173.8-169.3170.8134.500108.9M141 S142 H143 S162E107-M141 HydrophobicContact CG-CB 4.11Å; E107-M141 CarbonylContact O-C 3.3Å; E107-S142 CarbonylContact O-C 3.56Å; E107-S142 VanDerWaalsContact O-CA 3.23Å; E107-S142 WeakPolarHBondContact O-CA 3.33Å; E107-S142 PolarHBondContact O-N 3.03Å; E107-H143 PolarHBondContact N-O 3.17Å; E107-H143 PolarHBondContact O-N 3.01Å; E107-S162 WeakPolarHBondContact OE2-CB 3.28Å; E107-S162 PolarHBondContact OE2-OG 2.86Å
108F77.6Confident88.4Confident125 Ų12575.5 Ų75.555%0.54838%0.38SS..EExtended strand (participates in β ladder)trans-120.5107.8170.8-70.9-84.9000108.3R106 M141 S142R106-F108 HydrophobicContact CB-CD2 3.73Å; R106-F108 HydrophobicContact CB-CE2 3.52Å; R106-F108 HydrophobicContact CG-CE2 4.25Å; F108-M141 WeakPolarHBondContact CA-O 3.37Å; F108-S142 WeakPolarHBondContact CD1-OG 3.48Å; F108-S142 WeakPolarHBondContact CE1-OG 3.41Å
109G88.3Confident88.4Confident15 Ų1575.3 Ų75.316%0.15538%0.378CS..EExtended strand (participates in β ladder)trans158.7-174.1177.200000114.5M141G109-M141 PolarHBondContact N-O 2.97Å; G109-M141 PolarHBondContact O-N 3.02Å
110Y93.5Very high88.5Confident128 Ų12870.8 Ų70.850%0.50236%0.361SS..EExtended strand (participates in β ladder)trans-67134.5174175.1-87.9000110.6Q112 D138 V139 W140Y110-Q112 HydrophobicContact CE1-CG 4Å; Y110-D138 HydrophobicContact CE2-CB 3.86Å; Y110-D138 PolarHBondContact OH-OD1 2.78Å; Y110-D138 PolarHBondContact OH-OD2 3.39Å; Y110-V139 WeakPolarHBondContact CA-O 3.23Å; Y110-W140 VanDerWaalsContact N-CZ3 3.33Å
111A94.3Very high88.7Confident11 Ų1170.2 Ų70.29%0.09136%0.357CS..EExtended strand (participates in β ladder)trans-141.6161.7170.500000110.5V139 M141A111-V139 HydrophobicContact CB-CG2 4.42Å; A111-V139 PolarHBondContact N-O 3.35Å; A111-V139 PolarHBondContact O-N 3.35Å; A111-M141 HydrophobicContact CB-CB 4.42Å; A111-M141 HydrophobicContact CB-CG 3.56Å
112Q96.4Very high89Confident78 Ų7864.5 Ų64.536%0.36433%0.331SS..EExtended strand (participates in β ladder)trans-108.1131.8165.8-60.2-170-67.300108.9Y110 L136 L137 D138 T160Y110-Q112 HydrophobicContact CE1-CG 4Å; Q112-L136 HydrophobicContact CB-CD2 4.29Å; Q112-L137 WeakPolarHBondContact CA-O 3.47Å; Q112-D138 WeakPolarHBondContact CG-OD1 3.4Å; Q112-D138 PolarHBondContact NE2-OD1 3.34Å; Q112-T160 WeakPolarHBondContact O-CB 3.2Å; Q112-T160 PolarHBondContact O-OG1 2.91Å; Q112-T160 VanDerWaalsContact O-OG1 3.13Å
113V97Very high89.6Confident0 Ų067.7 Ų67.70%033%0.329CS..EExtended strand (participates in β ladder)trans-114.6129.8176.7-59.90000109.7L136 L137 V139 A158 S159 T160 A166 F180V113-L136 WeakPolarHBondContact O-CA 3.37Å; V113-L137 HydrophobicContact CG2-CB 3.74Å; V113-L137 HydrophobicContact CG2-CD1 4.34Å; V113-L137 HydrophobicContact CG2-CG 4.49Å; V113-L137 PolarHBondContact N-O 3.22Å; V113-L137 PolarHBondContact O-N 3.14Å; V113-V139 HydrophobicContact CG1-CG2 3.78Å; V113-V139 HydrophobicContact CG2-CG1 4.05Å; V113-V139 HydrophobicContact CG2-CG2 4.14Å; V113-A158 HydrophobicContact CB-CB 4.45Å; V113-A158 HydrophobicContact CG2-CB 4.4Å; V113-S159 CarbonylContact C-O 3.51Å; V113-S159 WeakPolarHBondContact CA-O 3.48Å; V113-T160 HydrophobicContact CG1-CG2 4.18Å; V113-A166 HydrophobicContact CB-CB 4.17Å; V113-A166 HydrophobicContact CG1-CB 3.69Å; V113-F180 HydrophobicContact CG2-CE1 4.29Å
114E98.3Very high90.5Very high53 Ų5368.1 Ų68.125%0.24834%0.339CS..EExtended strand (participates in β ladder)trans-84.4124.3178.1-178.4-176.5158.300109.6V116 T130 K134 L136 A158 S159E114-V116 HydrophobicContact CG-CG1 3.99Å; E114-V116 PolarHBondContact O-N 3.45Å; E114-T130 HydrophobicContact CG-CG2 4.27Å; E114-K134 HydrophobicContact CG-CD 4.44Å; E114-K134 WeakPolarHBondContact OE1-CD 3.25Å; E114-K134 IonicContact OE1-NZ 3.47Å; E114-K134 PolarHBondContact OE1-NZ 2.96Å; E114-L136 HydrophobicContact CB-CD2 4Å; E114-A158 CarbonylContact O-C 3.53Å; E114-A158 WeakPolarHBondContact O-CA 3.11Å; E114-A158 VanDerWaalsContact O-CB 3.24Å; E114-A158 WeakPolarHBondContact O-CB 3.43Å; E114-S159 PolarHBondContact N-O 2.81Å; E114-S159 PolarHBondContact O-N 3.43Å
115V98.3Very high91.9Very high22 Ų2260 Ų6013%0.13330%0.295CS..EExtended strand (participates in β ladder)trans-80.8116.1173.3-177.50000108.6N117 V122 P135 L137 V157 A158V115-N117 WeakPolarHBondContact CG1-O 3.46Å; V115-V122 HydrophobicContact CG1-CG2 3.92Å; V115-V122 HydrophobicContact CG2-CG2 4.46Å; V115-P135 HydrophobicContact CB-CB 4.19Å; V115-P135 HydrophobicContact CG2-CB 4.41Å; V115-P135 PolarHBondContact N-O 3.19Å; V115-L137 HydrophobicContact CG2-CD1 3.96Å; V115-L137 HydrophobicContact CG2-CG 4.11Å; V115-V157 CarbonylContact C-O 3.57Å; V115-V157 HydrophobicContact CG1-CG1 4.47Å; V115-A158 HydrophobicContact CG2-CB 4.26Å
116V97.9Very high93.4Very high68 Ų6857.9 Ų57.941%0.41229%0.285SS..  trans-109.9-18.2-173.7-62.60000113.6E114 T156 V157E114-V116 HydrophobicContact CG-CG1 3.99Å; E114-V116 PolarHBondContact O-N 3.45Å; V116-T156 HydrophobicContact CG2-CG2 4.45Å; V116-V157 PolarHBondContact N-O 2.9Å
117N97.8Very high94.7Very high84 Ų8450.8 Ų50.845%0.44926%0.261SS..SBendtrans-132.4154.2173-80.6-64.6000111.1V115 T156 V157V115-N117 WeakPolarHBondContact CG1-O 3.46Å; N117-T156 WeakPolarHBondContact CB-O 3.2Å; N117-T156 PolarHBondContact ND2-O 2.82Å; N117-V157 PolarHBondContact N-O 3.3Å
118D97.5Very high96.1Very high101 Ų10150.3 Ų50.354%0.5426%0.264SS..  trans-69.4141.3171.7-178.855.3000110.7R123D118-R123 IonicContact OD1-CZ 2.99Å; D118-R123 IonicContact OD1-NE 3.01Å; D118-R123 PolarHBondContact OD1-NE 3.38Å; D118-R123 IonicContact OD1-NH2 3.88Å; D118-R123 IonicContact OD2-CZ 3.35Å; D118-R123 IonicContact OD2-NE 3.53Å; D118-R123 PolarHBondContact OD2-NE 2.99Å; D118-R123 IonicContact OD2-NH2 3.77Å; D118-R123 PolarHBondContact OD2-NH2 3.32Å
119S98.5Very high97Very high1 Ų149.3 Ų49.31%0.00726%0.264CS..  trans-154.4142174.9169.90000109.5L121 V122 R123 E171S119-L121 PolarHBondContact O-N 2.89Å; S119-L121 VanDerWaalsContact O-N 3.11Å; S119-L121 PolarHBondContact OG-N 2.84Å; S119-V122 PolarHBondContact O-N 3.1Å; S119-R123 WeakPolarHBondContact O-CB 3.4Å; S119-R123 PolarHBondContact O-N 2.88Å; S119-E171 WeakPolarHBondContact CA-OE1 3.34Å; S119-E171 WeakPolarHBondContact CB-OE1 3.49Å; S119-E171 PolarHBondContact OG-OE1 3.33Å
120A98.6Very high97.4Very high22 Ų2249.9 Ų49.918%0.18226%0.264CS..THydrogen-bonded Turntrans-55.5-32.9178.200000111.8V122 E171 R196 I201A120-V122 PolarHBondContact O-N 2.99Å; A120-E171 WeakPolarHBondContact CB-OE2 3.46Å; A120-E171 PolarHBondContact N-OE1 3.44Å; A120-E171 PolarHBondContact N-OE2 3.41Å; A120-R196 WeakPolarHBondContact O-CD 3.33Å; A120-R196 WeakPolarHBondContact O-CG 3.43Å; A120-R196 PolarHBondContact O-NH1 3.49Å; A120-I201 HydrophobicContact CB-CD1 4.22Å; A120-I201 HydrophobicContact CB-CG1 4.35Å
121L98.7Very high97.5Very high0 Ų049.6 Ų49.60%029%0.288CS..THydrogen-bonded Turntrans-65.2-36.8-177.8-176.364.8000113.6F83 S119 Y176 V178 M193 R196 F197 I201F83-L121 HydrophobicContact CD2-CD2 4.39Å; F83-L121 HydrophobicContact CE2-CD2 3.71Å; F83-L121 HydrophobicContact CZ-CD1 4.48Å; F83-L121 HydrophobicContact CZ-CD2 4.19Å; S119-L121 PolarHBondContact O-N 2.89Å; S119-L121 VanDerWaalsContact O-N 3.11Å; S119-L121 PolarHBondContact OG-N 2.84Å; L121-Y176 HydrophobicContact CB-CD1 3.68Å; L121-Y176 HydrophobicContact CB-CE1 3.95Å; L121-Y176 HydrophobicContact CB-CG 4.27Å; L121-Y176 HydrophobicContact CD2-CD1 4.09Å; L121-Y176 HydrophobicContact CD2-CG 4.09Å; L121-Y176 HydrophobicContact CG-CD1 4.41Å; L121-V178 HydrophobicContact CD2-CG1 4.12Å; L121-M193 HydrophobicContact CD1-CG 3.75Å; L121-M193 HydrophobicContact CD2-CG 4.38Å; L121-M193 HydrophobicContact CD2-SD 4.29Å; L121-M193 HydrophobicContact CG-CG 3.9Å; L121-M193 HydrophobicContact CG-SD 4.34Å; L121-R196 WeakPolarHBondContact O-CG 3.44Å; L121-F197 HydrophobicContact CD1-CB 4.14Å; L121-I201 HydrophobicContact CB-CD1 4.38Å; L121-I201 HydrophobicContact CD1-CD1 4.29Å
122V98.5Very high97.6Very high5 Ų554.2 Ų54.23%0.0331%0.311CS..THydrogen-bonded Turntrans-116.9-4-172.5-59.30000114.3V115 S119 A120 G124 I125 L137 V157 I167 M193V115-V122 HydrophobicContact CG1-CG2 3.92Å; V115-V122 HydrophobicContact CG2-CG2 4.46Å; S119-V122 PolarHBondContact O-N 3.1Å; A120-V122 PolarHBondContact O-N 2.99Å; V122-G124 PolarHBondContact O-N 3.42Å; V122-G124 VanDerWaalsContact O-N 3.14Å; V122-I125 WeakPolarHBondContact O-CB 3.3Å; V122-I125 PolarHBondContact O-N 3.24Å; V122-L137 HydrophobicContact CG1-CD1 4.18Å; V122-V157 HydrophobicContact CG2-CG1 3.57Å; V122-I167 HydrophobicContact CG1-CD1 3.76Å; V122-M193 HydrophobicContact CG1-CE 3.83Å
123R97.9Very high97.5Very high134 Ų13452.7 Ų52.751%0.50632%0.317SS..THydrogen-bonded Turntrans-54121.4-179.8-168-178.6-62.3140.60111.8D118 S119 I125 R196D118-R123 IonicContact OD1-CZ 2.99Å; D118-R123 IonicContact OD1-NE 3.01Å; D118-R123 PolarHBondContact OD1-NE 3.38Å; D118-R123 IonicContact OD1-NH2 3.88Å; D118-R123 IonicContact OD2-CZ 3.35Å; D118-R123 IonicContact OD2-NE 3.53Å; D118-R123 PolarHBondContact OD2-NE 2.99Å; D118-R123 IonicContact OD2-NH2 3.77Å; D118-R123 PolarHBondContact OD2-NH2 3.32Å; S119-R123 WeakPolarHBondContact O-CB 3.4Å; S119-R123 PolarHBondContact O-N 2.88Å; R123-I125 VanDerWaalsContact C-N 3.33Å; R123-R196 PolarHBondContact O-NH1 2.91Å; R123-R196 PolarHBondContact O-NH2 2.97Å; R123-R196 VanDerWaalsContact O-NH2 3.13Å
124G97.2Very high97.4Very high46 Ų4656.8 Ų56.847%0.47433%0.334SS..THydrogen-bonded Turntrans74.815.8179.700000115.2V122 R192V122-G124 PolarHBondContact O-N 3.42Å; V122-G124 VanDerWaalsContact O-N 3.14Å; G124-R192 VanDerWaalsContact O-CZ 3.25Å; G124-R192 PolarHBondContact O-NH1 2.96Å; G124-R192 PolarHBondContact O-NH2 3.01Å
125I97.9Very high97.4Very high2 Ų255.7 Ų55.71%0.0133%0.332CS..  trans-107.3111.2172.5-52-175.3000107.5V122 R123 L137 Q189 R192 M193V122-I125 WeakPolarHBondContact O-CB 3.3Å; V122-I125 PolarHBondContact O-N 3.24Å; R123-I125 VanDerWaalsContact C-N 3.33Å; I125-L137 HydrophobicContact CB-CD2 4.29Å; I125-L137 HydrophobicContact CG2-CD2 3.68Å; I125-L137 WeakPolarHBondContact O-CD2 3.24Å; I125-Q189 HydrophobicContact CG2-CB 3.62Å; I125-Q189 HydrophobicContact CG2-CG 4.24Å; I125-R192 HydrophobicContact CD1-CB 4.42Å; I125-R192 HydrophobicContact CD1-CG 4.08Å; I125-R192 HydrophobicContact CG1-CG 4.36Å; I125-M193 HydrophobicContact CD1-CB 4.41Å
126E97.6Very high97.4Very high103 Ų10355.5 Ų55.548%0.48133%0.33SS..  trans-141.8133.4-179.3-47-171.6176.900109P135 Q189E126-P135 HydrophobicContact CB-CB 4.36Å; E126-P135 HydrophobicContact CG-CB 3.83Å; E126-P135 HydrophobicContact CG-CG 4.33Å; E126-Q189 PolarHBondContact O-NE2 2.84Å
127D97.7Very high97.4Very high27 Ų2752.4 Ų52.414%0.14431%0.311CS..SBendtrans-107.6-38.2-178.8-82.4-43.8000112.1L136 D138 R188 Q189D127-L136 WeakPolarHBondContact CB-O 3.43Å; D127-L136 PolarHBondContact N-O 2.75Å; D127-D138 HydrophobicContact CB-CB 4.13Å; D127-D138 PolarHBondContact OD2-N 2.99Å; D127-D138 VanDerWaalsContact OD2-N 3.08Å; D127-R188 PolarHBondContact O-NH2 3.47Å; D127-R188 IonicContact OD1-CZ 3.62Å; D127-R188 IonicContact OD1-NE 3.86Å; D127-R188 PolarHBondContact OD1-NE 2.72Å; D127-R188 IonicContact OD1-NH2 3.63Å; D127-Q189 PolarHBondContact OD1-NE2 2.72Å
128A97.6Very high97.4Very high31 Ų3148.7 Ų48.726%0.25629%0.291SS..EExtended strand (participates in β ladder)trans-147.6179.6178.100000109.9L136A128-L136 HydrophobicContact CB-CB 4.07Å; A128-L136 HydrophobicContact CB-CD1 4.34Å; A128-L136 PolarHBondContact N-O 2.65Å; A128-L136 PolarHBondContact O-N 3.34Å
129L97.1Very high97.4Very high105 Ų10543.9 Ų43.955%0.5527%0.266SS..EExtended strand (participates in β ladder)trans-125.6143.4177.5-61.7174.4000110.3K134L129-K134 CarbonylContact C-O 3.59Å; L129-K134 VanDerWaalsContact CA-O 3.29Å; L129-K134 WeakPolarHBondContact CA-O 2.96Å
130T96.4Very high97.3Very high27 Ų2746.8 Ų46.817%0.16628%0.276CS..  trans-66.3172.4165.160.40000110.8E114 D132 G133 K134 L136E114-T130 HydrophobicContact CG-CG2 4.27Å; T130-D132 VanDerWaalsContact CB-OD1 3.29Å; T130-D132 WeakPolarHBondContact CB-OD1 3.32Å; T130-D132 PolarHBondContact O-N 2.92Å; T130-D132 PolarHBondContact OG1-OD1 3.47Å; T130-G133 PolarHBondContact O-N 3.06Å; T130-G133 PolarHBondContact OG1-N 3.11Å; T130-K134 HydrophobicContact CG2-CB 4.19Å; T130-K134 PolarHBondContact N-O 2.95Å; T130-K134 WeakPolarHBondContact OG1-CA 3.4Å; T130-K134 VanDerWaalsContact OG1-CB 3.32Å; T130-K134 WeakPolarHBondContact OG1-CB 3.16Å; T130-K134 PolarHBondContact OG1-N 3.19Å; T130-K134 PolarHBondContact OG1-O 3.28Å; T130-L136 HydrophobicContact CG2-CD1 4Å; T130-L136 HydrophobicContact CG2-CD2 3.79Å; T130-L136 HydrophobicContact CG2-CG 3.78Å
131A95.9Very high96.9Very high122 Ų12245.7 Ų45.7100%1.00827%0.268SS*.THydrogen-bonded Turntrans-58.8-28.6176.900000113.7
132D96.1Very high96Very high108 Ų10846.4 Ų46.458%0.57827%0.272SS*.THydrogen-bonded Turntrans-96.210176.561.7-25.3000113.7T130 K134T130-D132 VanDerWaalsContact CB-OD1 3.29Å; T130-D132 WeakPolarHBondContact CB-OD1 3.32Å; T130-D132 PolarHBondContact O-N 2.92Å; T130-D132 PolarHBondContact OG1-OD1 3.47Å; D132-K134 WeakPolarHBondContact OD2-CE 3.49Å; D132-K134 IonicContact OD2-NZ 3.58Å; D132-K134 PolarHBondContact OD2-NZ 3.28Å
133G95.4Very high94.8Very high46 Ų4646.2 Ų46.247%0.47427%0.271SS..SBendtrans80.721.7172.400000115T130T130-G133 PolarHBondContact O-N 3.06Å; T130-G133 PolarHBondContact OG1-N 3.11Å
134K95.3Very high93.9Very high85 Ų8540.6 Ų40.637%0.3726%0.255SS..  trans-85.8153.9174.2-60174.8179.4160.20111.6E114 L129 T130 D132E114-K134 HydrophobicContact CG-CD 4.44Å; E114-K134 WeakPolarHBondContact OE1-CD 3.25Å; E114-K134 IonicContact OE1-NZ 3.47Å; E114-K134 PolarHBondContact OE1-NZ 2.96Å; L129-K134 CarbonylContact C-O 3.59Å; L129-K134 VanDerWaalsContact CA-O 3.29Å; L129-K134 WeakPolarHBondContact CA-O 2.96Å; T130-K134 HydrophobicContact CG2-CB 4.19Å; T130-K134 PolarHBondContact N-O 2.95Å; T130-K134 WeakPolarHBondContact OG1-CA 3.4Å; T130-K134 VanDerWaalsContact OG1-CB 3.32Å; T130-K134 WeakPolarHBondContact OG1-CB 3.16Å; T130-K134 PolarHBondContact OG1-N 3.19Å; T130-K134 PolarHBondContact OG1-O 3.28Å; D132-K134 WeakPolarHBondContact OD2-CE 3.49Å; D132-K134 IonicContact OD2-NZ 3.58Å; D132-K134 PolarHBondContact OD2-NZ 3.28Å
135P97.3Very high93.4Very high30 Ų3039.2 Ų39.220%0.19524%0.237CC..EExtended strand (participates in β ladder)trans-70.5133.2-175.3-17.231.9000113.2V115 E126V115-P135 HydrophobicContact CB-CB 4.19Å; V115-P135 HydrophobicContact CG2-CB 4.41Å; V115-P135 PolarHBondContact N-O 3.19Å; E126-P135 HydrophobicContact CB-CB 4.36Å; E126-P135 HydrophobicContact CG-CB 3.83Å; E126-P135 HydrophobicContact CG-CG 4.33Å
136L98.1Very high92.9Very high19 Ų1940.5 Ų40.510%0.09924%0.242CC..EExtended strand (participates in β ladder)trans-113.7143.6168.2-69.1171.2000110.4Q112 V113 E114 D127 A128 T130Q112-L136 HydrophobicContact CB-CD2 4.29Å; V113-L136 WeakPolarHBondContact O-CA 3.37Å; E114-L136 HydrophobicContact CB-CD2 4Å; D127-L136 WeakPolarHBondContact CB-O 3.43Å; D127-L136 PolarHBondContact N-O 2.75Å; A128-L136 HydrophobicContact CB-CB 4.07Å; A128-L136 HydrophobicContact CB-CD1 4.34Å; A128-L136 PolarHBondContact N-O 2.65Å; A128-L136 PolarHBondContact O-N 3.34Å; T130-L136 HydrophobicContact CG2-CD1 4Å; T130-L136 HydrophobicContact CG2-CD2 3.79Å; T130-L136 HydrophobicContact CG2-CG 3.78Å
137L98.5Very high92.7Very high2 Ų235.7 Ų35.71%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-111.4133.2169.3-63173000110Q112 V113 V115 V122 I125 V139 I167 M193Q112-L137 WeakPolarHBondContact CA-O 3.47Å; V113-L137 HydrophobicContact CG2-CB 3.74Å; V113-L137 HydrophobicContact CG2-CD1 4.34Å; V113-L137 HydrophobicContact CG2-CG 4.49Å; V113-L137 PolarHBondContact N-O 3.22Å; V113-L137 PolarHBondContact O-N 3.14Å; V115-L137 HydrophobicContact CG2-CD1 3.96Å; V115-L137 HydrophobicContact CG2-CG 4.11Å; V122-L137 HydrophobicContact CG1-CD1 4.18Å; I125-L137 HydrophobicContact CB-CD2 4.29Å; I125-L137 HydrophobicContact CG2-CD2 3.68Å; I125-L137 WeakPolarHBondContact O-CD2 3.24Å; L137-V139 HydrophobicContact CB-CG1 3.88Å; L137-I167 HydrophobicContact CD1-CD1 4.25Å; L137-M193 HydrophobicContact CD1-CE 4.01Å
138D98Very high92.6Very high6 Ų637.3 Ų37.33%0.03223%0.231CC..EExtended strand (participates in β ladder)trans-91108.2176.8-71.2-8.9000108.3Y110 Q112 D127 T187 R188Y110-D138 HydrophobicContact CE2-CB 3.86Å; Y110-D138 PolarHBondContact OH-OD1 2.78Å; Y110-D138 PolarHBondContact OH-OD2 3.39Å; Q112-D138 WeakPolarHBondContact CG-OD1 3.4Å; Q112-D138 PolarHBondContact NE2-OD1 3.34Å; D127-D138 HydrophobicContact CB-CB 4.13Å; D127-D138 PolarHBondContact OD2-N 2.99Å; D127-D138 VanDerWaalsContact OD2-N 3.08Å; D138-T187 WeakPolarHBondContact O-CA 3.41Å; D138-R188 HydrophobicContact CB-CB 4.41Å; D138-R188 PolarHBondContact O-N 3.24Å; D138-R188 VanDerWaalsContact O-N 3.12Å; D138-R188 IonicContact OD2-CZ 2.69Å; D138-R188 IonicContact OD2-NE 3.58Å; D138-R188 IonicContact OD2-NH1 3.69Å; D138-R188 PolarHBondContact OD2-NH1 3.29Å; D138-R188 IonicContact OD2-NH2 3.56Å; D138-R188 PolarHBondContact OD2-NH2 2.77Å
139V97.8Very high92.6Very high1 Ų137.5 Ų37.51%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-129.1160.6-166.2-58.50000113.3Y110 A111 V113 L137 M141 F180 T187Y110-V139 WeakPolarHBondContact CA-O 3.23Å; A111-V139 HydrophobicContact CB-CG2 4.42Å; A111-V139 PolarHBondContact N-O 3.35Å; A111-V139 PolarHBondContact O-N 3.35Å; V113-V139 HydrophobicContact CG1-CG2 3.78Å; V113-V139 HydrophobicContact CG2-CG1 4.05Å; V113-V139 HydrophobicContact CG2-CG2 4.14Å; L137-V139 HydrophobicContact CB-CG1 3.88Å; V139-M141 HydrophobicContact CG2-CG 4.12Å; V139-M141 HydrophobicContact CG2-SD 4.27Å; V139-F180 HydrophobicContact CB-CB 3.83Å; V139-F180 HydrophobicContact CB-CD1 3.95Å; V139-F180 HydrophobicContact CB-CD2 3.9Å; V139-F180 HydrophobicContact CB-CE1 4.49Å; V139-F180 HydrophobicContact CB-CE2 4.46Å; V139-F180 HydrophobicContact CB-CG 3.62Å; V139-F180 HydrophobicContact CG1-CD1 3.94Å; V139-F180 HydrophobicContact CG1-CD2 3.84Å; V139-F180 HydrophobicContact CG1-CE1 3.97Å; V139-F180 HydrophobicContact CG1-CE2 3.89Å; V139-F180 HydrophobicContact CG1-CG 3.87Å; V139-F180 HydrophobicContact CG1-CZ 3.96Å; V139-F180 HydrophobicContact CG2-CB 4Å; V139-F180 HydrophobicContact CG2-CD1 3.89Å; V139-F180 HydrophobicContact CG2-CG 3.96Å; V139-T187 HydrophobicContact CB-CG2 4.27Å; V139-T187 HydrophobicContact CG1-CG2 3.98Å
140W96.2Very high92.7Very high61 Ų6134 Ų3423%0.23121%0.214CC..EExtended strand (participates in β ladder)trans-103.597.3172.6-164.8-102.8000111.8Y110 F180 H181 V184 H186 T187Y110-W140 VanDerWaalsContact N-CZ3 3.33Å; W140-F180 VanDerWaalsContact O-CA 3.25Å; W140-F180 WeakPolarHBondContact O-CA 3.38Å; W140-F180 WeakPolarHBondContact O-CB 3.38Å; W140-H181 PolarHBondContact O-N 3.22Å; W140-V184 HydrophobicContact CB-CG2 3.62Å; W140-V184 HydrophobicContact CG-CG2 3.94Å; W140-H186 HydrophobicContact CB-CB 3.85Å; W140-H186 HydrophobicContact CD2-CB 3.84Å; W140-H186 AromaticContact CD2-CD2 3.92Å; W140-H186 HydrophobicContact CE3-CB 3.53Å; W140-H186 AromaticContact CE3-CD2 3.93Å; W140-H186 AromaticContact CE3-CG 3.74Å; W140-H186 HydrophobicContact CG-CB 4.01Å; W140-H186 HydrophobicContact CZ3-CB 4.32Å; W140-T187 PolarHBondContact N-OG1 3.15Å
141M90.3Very high92.8Very high0 Ų032.8 Ų32.80%021%0.206CC..EExtended strand (participates in β ladder)trans-75.3140.2176.3-65.5-70.2-87.500109.9E107 F108 G109 A111 V139 H143 T160 C163 Q179 F180E107-M141 HydrophobicContact CG-CB 4.11Å; E107-M141 CarbonylContact O-C 3.3Å; F108-M141 WeakPolarHBondContact CA-O 3.37Å; G109-M141 PolarHBondContact N-O 2.97Å; G109-M141 PolarHBondContact O-N 3.02Å; A111-M141 HydrophobicContact CB-CB 4.42Å; A111-M141 HydrophobicContact CB-CG 3.56Å; V139-M141 HydrophobicContact CG2-CG 4.12Å; V139-M141 HydrophobicContact CG2-SD 4.27Å; M141-H143 WeakPolarHBondContact CE-NE2 3.48Å; M141-T160 HydrophobicContact CE-CG2 4.23Å; M141-C163 HydrophobicContact CE-CB 3.65Å; M141-Q179 HydrophobicContact CE-CB 4.17Å; M141-Q179 HydrophobicContact CE-CG 4.19Å; M141-Q179 HydrophobicContact SD-CB 4.37Å; M141-F180 HydrophobicContact CG-CB 4.46Å; M141-F180 HydrophobicContact SD-CB 3.74Å; M141-F180 HydrophobicContact SD-CD1 4.16Å; M141-F180 HydrophobicContact SD-CG 4.48Å
142S80Confident92.9Very high14 Ų1433.1 Ų33.110%0.09820%0.201CC..EExtended strand (participates in β ladder)trans-156.669.3-177.2173.90000110.2C86 E107 F108 H181C86-S142 PolarHBondContact SG-O 3.19Å; E107-S142 CarbonylContact O-C 3.56Å; E107-S142 VanDerWaalsContact O-CA 3.23Å; E107-S142 WeakPolarHBondContact O-CA 3.33Å; E107-S142 PolarHBondContact O-N 3.03Å; F108-S142 WeakPolarHBondContact CD1-OG 3.48Å; F108-S142 WeakPolarHBondContact CE1-OG 3.41Å; S142-H181 VanDerWaalsContact CB-CD2 3.45Å; S142-H181 WeakPolarHBondContact CB-CD2 3.48Å
143H73.3Confident93Very high2 Ų232 Ų321%0.00920%0.195CC..EExtended strand (participates in β ladder)trans-136.9137.3-175.967.197.6000112.5R106 E107 M141 D145 K146 Q179R106-H143 WeakPolarHBondContact CA-O 3.32Å; E107-H143 PolarHBondContact N-O 3.17Å; E107-H143 PolarHBondContact O-N 3.01Å; M141-H143 WeakPolarHBondContact CE-NE2 3.48Å; H143-D145 PolarHBondContact ND1-O 3.21Å; H143-D145 VanDerWaalsContact ND1-O 3.12Å; H143-K146 VanDerWaalsContact CE1-CE 3.47Å; H143-K146 WeakPolarHBondContact CE1-CE 3.37Å; H143-Q179 HydrophobicContact CB-CG 3.92Å; H143-Q179 VanDerWaalsContact CD2-CG 3.45Å; H143-Q179 WeakPolarHBondContact CD2-CG 3.3Å
144G78.4Confident93.2Very high16 Ų1630.4 Ų30.417%0.16518%0.175CC..SBendtrans-84.8-67.5165.200000109.3S103S103-G144 WeakPolarHBondContact CB-O 3.38Å
145D87.4Confident93.3Very high16 Ų1629.6 Ų29.69%0.08618%0.178CC..SBendtrans-70.6160179.5-57-11.1000111.9S62 T63 Q90 V100 E101 A102 H143S62-D145 WeakPolarHBondContact CA-OD2 3.16Å; S62-D145 WeakPolarHBondContact CB-OD2 3.41Å; S62-D145 PolarHBondContact OG-OD2 3.07Å; T63-D145 PolarHBondContact N-OD2 3.03Å; Q90-D145 PolarHBondContact NE2-O 3.49Å; V100-D145 HydrophobicContact CG1-CB 3.63Å; E101-D145 WeakPolarHBondContact O-CA 3.44Å; E101-D145 WeakPolarHBondContact O-CB 3.3Å; A102-D145 WeakPolarHBondContact CA-OD1 3.43Å; H143-D145 PolarHBondContact ND1-O 3.21Å; H143-D145 VanDerWaalsContact ND1-O 3.12Å
146K86.8Confident93.4Very high29 Ų2929.6 Ų29.613%0.12618%0.177CC..EExtended strand (participates in β ladder)trans-131.9135.5178.7-57.9-171.8-172.7-170.10109.6V100 E101 H143 T148 S162V100-K146 WeakPolarHBondContact CA-O 3.43Å; E101-K146 PolarHBondContact N-O 3.12Å; E101-K146 PolarHBondContact O-N 3.31Å; H143-K146 VanDerWaalsContact CE1-CE 3.47Å; H143-K146 WeakPolarHBondContact CE1-CE 3.37Å; K146-T148 PolarHBondContact O-N 2.89Å; K146-S162 WeakPolarHBondContact CD-O 3.28Å; K146-S162 PolarHBondContact NZ-O 2.91Å
147V94Very high93.4Very high3 Ų328.7 Ų28.72%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-64126.2166.6-179.80000107.6M89 Q90 A93 V100 A149 I150 F165M89-V147 HydrophobicContact CE-CG2 4.08Å; Q90-V147 HydrophobicContact CG-CG2 4.17Å; A93-V147 HydrophobicContact CB-CG1 4.02Å; A93-V147 HydrophobicContact CB-CG2 4.02Å; V100-V147 HydrophobicContact CG2-CG2 4Å; V147-A149 WeakPolarHBondContact CG1-O 3.41Å; V147-I150 HydrophobicContact CG1-CG2 3.99Å; V147-F165 HydrophobicContact CB-CD2 4.5Å; V147-F165 HydrophobicContact CG1-CD2 4.29Å; V147-F165 VanDerWaalsContact O-CD2 3.27Å; V147-F165 WeakPolarHBondContact O-CD2 3.02Å
148T94.8Very high93.4Very high60 Ų6028.6 Ų28.637%0.36817%0.172SC..EExtended strand (participates in β ladder)trans-108.3-21178.754.60000112.5H99 E101 K146 F165H99-T148 PolarHBondContact O-N 3.38Å; H99-T148 PolarHBondContact O-OG1 3.33Å; E101-T148 HydrophobicContact CB-CG2 3.8Å; E101-T148 HydrophobicContact CG-CG2 3.77Å; K146-T148 PolarHBondContact O-N 2.89Å; T148-F165 WeakPolarHBondContact O-CE2 3.47Å
149A97.7Very high93.3Very high35 Ų3529.8 Ų29.829%0.28918%0.18SC..EExtended strand (participates in β ladder)trans-142.5128.3167.500000109.7G98 H99 V147G98-A149 CarbonylContact C-O 3.53Å; G98-A149 WeakPolarHBondContact CA-O 3.47Å; H99-A149 HydrophobicContact CB-CB 4.11Å; H99-A149 PolarHBondContact N-O 3.33Å; H99-A149 PolarHBondContact O-N 3.34Å; V147-A149 WeakPolarHBondContact CG1-O 3.41Å
150I98.4Very high93.1Very high32 Ų3231.3 Ų31.316%0.16419%0.19CC..  trans-78.6158.4171.659.3176.6000110.5V147 F154 F165 M168V147-I150 HydrophobicContact CG1-CG2 3.99Å; I150-F154 HydrophobicContact CB-CB 4.29Å; I150-F154 HydrophobicContact CD1-CB 4.08Å; I150-F154 WeakPolarHBondContact CD1-O 3.22Å; I150-F154 HydrophobicContact CG1-CB 4.44Å; I150-F165 HydrophobicContact CB-CD1 4.44Å; I150-F165 HydrophobicContact CD1-CD1 4.23Å; I150-F165 HydrophobicContact CD1-CE1 4.14Å; I150-F165 HydrophobicContact CG1-CD1 4.33Å; I150-F165 HydrophobicContact CG1-CE1 4.06Å; I150-F165 HydrophobicContact CG2-CB 4.01Å; I150-F165 HydrophobicContact CG2-CD1 3.38Å; I150-F165 HydrophobicContact CG2-CD2 4.38Å; I150-F165 HydrophobicContact CG2-CE1 3.87Å; I150-F165 HydrophobicContact CG2-CG 3.67Å; I150-M168 HydrophobicContact CB-SD 4.29Å; I150-M168 HydrophobicContact CG2-CB 3.97Å; I150-M168 HydrophobicContact CG2-SD 3.8Å
151P98.6Very high92.7Very high1 Ų138 Ų381%0.00622%0.224CC..  trans-53.6149.5168.4-25.235.3000111.8L96 D153 F154L96-P151 HydrophobicContact CB-CB 3.97Å; L96-P151 HydrophobicContact CB-CG 3.62Å; L96-P151 WeakPolarHBondContact O-CB 3.35Å; P151-D153 PolarHBondContact O-N 3.01Å; P151-F154 HydrophobicContact CB-CD2 3.59Å; P151-F154 HydrophobicContact CB-CE2 4.02Å; P151-F154 HydrophobicContact CB-CG 4.25Å; P151-F154 HydrophobicContact CG-CD2 3.94Å; P151-F154 HydrophobicContact CG-CE2 4.12Å; P151-F154 HydrophobicContact CG-CG 4.35Å; P151-F154 WeakPolarHBondContact O-CB 3.24Å; P151-F154 PolarHBondContact O-N 2.92Å
152S98.2Very high92.5Very high129 Ų12940 Ų4090%0.90224%0.237SC*.THydrogen-bonded Turntrans-67-21.7-169.953.90000114.7
153D98.6Very high93.1Very high85 Ų8539.4 Ų39.446%0.45523%0.233SC..THydrogen-bonded Turntrans-95.69.6176.862.3-21000113.1P151 N170P151-D153 PolarHBondContact O-N 3.01Å; D153-N170 VanDerWaalsContact CG-ND2 3.26Å; D153-N170 PolarHBondContact O-ND2 3.38Å; D153-N170 PolarHBondContact OD2-ND2 2.69Å
154F98.8Very high94Very high12 Ų1242.6 Ų42.65%0.05325%0.254CS..  trans-104.1158.3173.8-77.5-121.9000111.2M92 L96 I150 P151 M168 A169 N170 F175M92-F154 HydrophobicContact CG-CZ 4.31Å; M92-F154 HydrophobicContact SD-CE1 3.79Å; M92-F154 HydrophobicContact SD-CZ 3.97Å; L96-F154 HydrophobicContact CD1-CE2 3.91Å; L96-F154 HydrophobicContact CD1-CZ 3.87Å; I150-F154 HydrophobicContact CB-CB 4.29Å; I150-F154 HydrophobicContact CD1-CB 4.08Å; I150-F154 WeakPolarHBondContact CD1-O 3.22Å; I150-F154 HydrophobicContact CG1-CB 4.44Å; P151-F154 HydrophobicContact CB-CD2 3.59Å; P151-F154 HydrophobicContact CB-CE2 4.02Å; P151-F154 HydrophobicContact CB-CG 4.25Å; P151-F154 HydrophobicContact CG-CD2 3.94Å; P151-F154 HydrophobicContact CG-CE2 4.12Å; P151-F154 HydrophobicContact CG-CG 4.35Å; P151-F154 WeakPolarHBondContact O-CB 3.24Å; P151-F154 PolarHBondContact O-N 2.92Å; F154-M168 HydrophobicContact CD1-CB 4.14Å; F154-M168 HydrophobicContact CD1-CE 4.24Å; F154-M168 HydrophobicContact CD1-CG 3.82Å; F154-M168 HydrophobicContact CD1-SD 3.91Å; F154-M168 HydrophobicContact CE1-CE 4.01Å; F154-M168 HydrophobicContact CE1-CG 4.27Å; F154-M168 HydrophobicContact CE1-SD 4.29Å; F154-A169 CarbonylContact C-O 3.59Å; F154-A169 VanDerWaalsContact CA-O 3.3Å; F154-A169 WeakPolarHBondContact CA-O 3.48Å; F154-N170 HydrophobicContact CD1-CB 4.09Å; F154-N170 HydrophobicContact CD2-CB 3.66Å; F154-N170 HydrophobicContact CE1-CB 4.03Å; F154-N170 HydrophobicContact CE2-CB 3.62Å; F154-N170 HydrophobicContact CG-CB 3.93Å; F154-N170 HydrophobicContact CZ-CB 3.82Å; F154-F175 HydrophobicContact CE1-CB 3.96Å; F154-F175 HydrophobicContact CZ-CB 3.62Å; F154-F175 HydrophobicContact CZ-CD2 4.05Å; F154-F175 HydrophobicContact CZ-CG 4.37Å
155V98.7Very high94.9Very high69 Ų6943.6 Ų43.642%0.41825%0.254SS..EExtended strand (participates in β ladder)trans-121147.4171.1-61.40000111V157 M168 A169V155-V157 HydrophobicContact CG2-CG2 4.26Å; V155-V157 PolarHBondContact O-N 2.98Å; V155-M168 WeakPolarHBondContact O-CA 3.27Å; V155-A169 PolarHBondContact N-O 3.05Å; V155-A169 PolarHBondContact O-N 3.27Å
156T98.7Very high95.3Very high30 Ų3042.8 Ų42.818%0.18425%0.25CS..EExtended strand (participates in β ladder)trans-71.7119.5167.6-50.80000109.3V116 N117 S159 P164 F165V116-T156 HydrophobicContact CG2-CG2 4.45Å; N117-T156 WeakPolarHBondContact CB-O 3.2Å; N117-T156 PolarHBondContact ND2-O 2.82Å; T156-S159 WeakPolarHBondContact CG2-OG 3.23Å; T156-P164 VanDerWaalsContact CG2-O 3.27Å; T156-P164 WeakPolarHBondContact CG2-O 3.37Å; T156-F165 HydrophobicContact CG2-CD1 4.1Å; T156-F165 WeakPolarHBondContact OG1-CD1 3Å; T156-F165 VanDerWaalsContact OG1-CE1 3.26Å; T156-F165 WeakPolarHBondContact OG1-CE1 3.41Å
157V98.7Very high95.9Very high0 Ų041.4 Ų41.40%024%0.244CC..EExtended strand (participates in β ladder)trans-95.8-41.2179.9174.40000111.2V115 V116 N117 V122 V155 I167 A169V115-V157 CarbonylContact C-O 3.57Å; V115-V157 HydrophobicContact CG1-CG1 4.47Å; V116-V157 PolarHBondContact N-O 2.9Å; N117-V157 PolarHBondContact N-O 3.3Å; V122-V157 HydrophobicContact CG2-CG1 3.57Å; V155-V157 HydrophobicContact CG2-CG2 4.26Å; V155-V157 PolarHBondContact O-N 2.98Å; V157-I167 HydrophobicContact CB-CB 3.95Å; V157-I167 HydrophobicContact CB-CG2 3.76Å; V157-I167 HydrophobicContact CG1-CB 4.36Å; V157-I167 HydrophobicContact CG1-CG2 4.05Å; V157-I167 HydrophobicContact CG2-CG2 4.36Å; V157-I167 PolarHBondContact N-O 3.42Å; V157-A169 HydrophobicContact CG2-CB 3.57Å
158A98.2Very high96.1Very high0 Ų041.3 Ų41.30%024%0.243CC..EExtended strand (participates in β ladder)trans-143.8154.4176.500000111.9V113 E114 V115 A166 I167V113-A158 HydrophobicContact CB-CB 4.45Å; V113-A158 HydrophobicContact CG2-CB 4.4Å; E114-A158 CarbonylContact O-C 3.53Å; E114-A158 WeakPolarHBondContact O-CA 3.11Å; E114-A158 VanDerWaalsContact O-CB 3.24Å; E114-A158 WeakPolarHBondContact O-CB 3.43Å; V115-A158 HydrophobicContact CG2-CB 4.26Å; A158-A166 WeakPolarHBondContact O-CB 3.29Å; A158-A166 PolarHBondContact O-N 2.85Å; A158-I167 HydrophobicContact CB-CB 3.98Å; A158-I167 HydrophobicContact CB-CD1 3.78Å; A158-I167 HydrophobicContact CB-CG1 3.77Å; A158-I167 PolarHBondContact N-O 2.65Å; A158-I167 PolarHBondContact O-N 3.28Å
159S96.6Very high96.3Very high30 Ų3038.4 Ų38.421%0.2123%0.226CC..EExtended strand (participates in β ladder)trans-141.4159.4-173.9-56.30000111.4V113 E114 T156 P164V113-S159 CarbonylContact C-O 3.51Å; V113-S159 WeakPolarHBondContact CA-O 3.48Å; E114-S159 PolarHBondContact N-O 2.81Å; E114-S159 PolarHBondContact O-N 3.43Å; T156-S159 WeakPolarHBondContact CG2-OG 3.23Å; S159-P164 WeakPolarHBondContact CB-O 3.41Å; S159-P164 PolarHBondContact OG-O 3.02Å
160T92.3Very high96.3Very high34 Ų3437 Ų3721%0.20921%0.213CC..EExtended strand (participates in β ladder)trans-140169164.2-173.50000109.3Q112 V113 M141 S162 C163Q112-T160 WeakPolarHBondContact O-CB 3.2Å; Q112-T160 PolarHBondContact O-OG1 2.91Å; Q112-T160 VanDerWaalsContact O-OG1 3.13Å; V113-T160 HydrophobicContact CG1-CG2 4.18Å; M141-T160 HydrophobicContact CE-CG2 4.23Å; T160-S162 PolarHBondContact O-N 3.49Å; T160-C163 HydrophobicContact CG2-CB 3.63Å; T160-C163 PolarHBondContact N-O 3.45Å; T160-C163 CarbonylContact O-C 3.43Å; T160-C163 VanDerWaalsContact O-C 3.3Å; T160-C163 PolarHBondContact O-N 3.5Å; T160-C163 VanDerWaalsContact O-N 3.11Å
161E87.6Confident96.4Very high202 Ų20238.9 Ų38.994%0.94422%0.221SC*.THydrogen-bonded Turntrans-53.3-41.8-174.1-65.4-177.7-175.200112.6
162S87.8Confident96.3Very high40 Ų4047 Ų4728%0.2826%0.259SS..THydrogen-bonded Turntrans-92-11.6-177.4590000114.2E107 K146 T160E107-S162 WeakPolarHBondContact OE2-CB 3.28Å; E107-S162 PolarHBondContact OE2-OG 2.86Å; K146-S162 WeakPolarHBondContact CD-O 3.28Å; K146-S162 PolarHBondContact NZ-O 2.91Å; T160-S162 PolarHBondContact O-N 3.49Å
163C91.4Very high96.4Very high2 Ų245.9 Ų45.91%0.01424%0.238CC..EExtended strand (participates in β ladder)trans-141.390.9-175.4-169.30000110.1M141 T160 F165 A166M141-C163 HydrophobicContact CE-CB 3.65Å; T160-C163 HydrophobicContact CG2-CB 3.63Å; T160-C163 PolarHBondContact N-O 3.45Å; T160-C163 CarbonylContact O-C 3.43Å; T160-C163 VanDerWaalsContact O-C 3.3Å; T160-C163 PolarHBondContact O-N 3.5Å; T160-C163 VanDerWaalsContact O-N 3.11Å; C163-F165 PolarHBondContact O-N 2.93Å; C163-A166 PolarHBondContact O-N 3.26Å
164P93.1Very high96.4Very high70 Ų7045.3 Ų45.346%0.45523%0.23SC..EExtended strand (participates in β ladder)trans-59.6-28.6-178.1-26.935.6000113.9T156 S159T156-P164 VanDerWaalsContact CG2-O 3.27Å; T156-P164 WeakPolarHBondContact CG2-O 3.37Å; S159-P164 WeakPolarHBondContact CB-O 3.41Å; S159-P164 PolarHBondContact OG-O 3.02Å
165F96.7Very high96.4Very high36 Ų3645.3 Ų45.316%0.15823%0.23CC..EExtended strand (participates in β ladder)trans-116.658.8-179.1-51-78.2000110.3M89 V147 T148 I150 T156 C163 I167M89-F165 HydrophobicContact CE-CB 4.22Å; M89-F165 WeakPolarHBondContact CE-O 3.46Å; V147-F165 HydrophobicContact CB-CD2 4.5Å; V147-F165 HydrophobicContact CG1-CD2 4.29Å; V147-F165 VanDerWaalsContact O-CD2 3.27Å; V147-F165 WeakPolarHBondContact O-CD2 3.02Å; T148-F165 WeakPolarHBondContact O-CE2 3.47Å; I150-F165 HydrophobicContact CB-CD1 4.44Å; I150-F165 HydrophobicContact CD1-CD1 4.23Å; I150-F165 HydrophobicContact CD1-CE1 4.14Å; I150-F165 HydrophobicContact CG1-CD1 4.33Å; I150-F165 HydrophobicContact CG1-CE1 4.06Å; I150-F165 HydrophobicContact CG2-CB 4.01Å; I150-F165 HydrophobicContact CG2-CD1 3.38Å; I150-F165 HydrophobicContact CG2-CD2 4.38Å; I150-F165 HydrophobicContact CG2-CE1 3.87Å; I150-F165 HydrophobicContact CG2-CG 3.67Å; T156-F165 HydrophobicContact CG2-CD1 4.1Å; T156-F165 WeakPolarHBondContact OG1-CD1 3Å; T156-F165 VanDerWaalsContact OG1-CE1 3.26Å; T156-F165 WeakPolarHBondContact OG1-CE1 3.41Å; C163-F165 PolarHBondContact O-N 2.93Å; F165-I167 VanDerWaalsContact C-N 3.25Å; F165-I167 PolarHBondContact O-N 3.11Å
166A96.3Very high96.4Very high0 Ų042.2 Ų42.20%021%0.21CC..EExtended strand (participates in β ladder)trans-65.4-32.3178.900000112.1V113 A158 C163 V178 Q179V113-A166 HydrophobicContact CB-CB 4.17Å; V113-A166 HydrophobicContact CG1-CB 3.69Å; A158-A166 WeakPolarHBondContact O-CB 3.29Å; A158-A166 PolarHBondContact O-N 2.85Å; C163-A166 PolarHBondContact O-N 3.26Å; A166-V178 WeakPolarHBondContact O-CA 3.46Å; A166-Q179 PolarHBondContact O-N 3.2Å
167I98.4Very high96.4Very high0 Ų040.8 Ų40.80%020%0.201CC..EExtended strand (participates in β ladder)trans-134.2132.1168.2-51.7-178.1000109.2V122 L137 V157 A158 F165 G177 V178 F180V122-I167 HydrophobicContact CG1-CD1 3.76Å; L137-I167 HydrophobicContact CD1-CD1 4.25Å; V157-I167 HydrophobicContact CB-CB 3.95Å; V157-I167 HydrophobicContact CB-CG2 3.76Å; V157-I167 HydrophobicContact CG1-CB 4.36Å; V157-I167 HydrophobicContact CG1-CG2 4.05Å; V157-I167 HydrophobicContact CG2-CG2 4.36Å; V157-I167 PolarHBondContact N-O 3.42Å; A158-I167 HydrophobicContact CB-CB 3.98Å; A158-I167 HydrophobicContact CB-CD1 3.78Å; A158-I167 HydrophobicContact CB-CG1 3.77Å; A158-I167 PolarHBondContact N-O 2.65Å; A158-I167 PolarHBondContact O-N 3.28Å; F165-I167 VanDerWaalsContact C-N 3.25Å; F165-I167 PolarHBondContact O-N 3.11Å; I167-G177 CarbonylContact C-O 3.55Å; I167-G177 VanDerWaalsContact CA-O 3.29Å; I167-G177 WeakPolarHBondContact CA-O 3.23Å; I167-V178 HydrophobicContact CD1-CG1 4.3Å; I167-V178 HydrophobicContact CG1-CG1 3.98Å; I167-V178 HydrophobicContact CG2-CG1 4.1Å; I167-F180 HydrophobicContact CD1-CE1 3.75Å; I167-F180 HydrophobicContact CD1-CZ 3.74Å; I167-F180 HydrophobicContact CG1-CE1 3.61Å; I167-F180 HydrophobicContact CG1-CZ 4.03Å
168M98.7Very high96.4Very high0 Ų040.8 Ų40.80%020%0.201CC..EExtended strand (participates in β ladder)trans-121.5147.3169.671.4176-17100110.8M89 M92 A93 I150 F154 V155 G177M89-M168 HydrophobicContact CE-CB 4.07Å; M89-M168 HydrophobicContact CE-CG 3.64Å; M89-M168 HydrophobicContact CE-SD 3.91Å; M89-M168 HydrophobicContact CG-CE 3.89Å; M89-M168 HydrophobicContact CG-CG 4.4Å; M89-M168 HydrophobicContact CG-SD 4.4Å; M89-M168 WeakPolarHBondContact O-CE 3.48Å; M92-M168 HydrophobicContact CB-CE 4.06Å; M92-M168 HydrophobicContact CG-CE 3.78Å; M92-M168 HydrophobicContact SD-CE 3.67Å; A93-M168 HydrophobicContact CB-CE 4Å; A93-M168 HydrophobicContact CB-SD 4.32Å; I150-M168 HydrophobicContact CB-SD 4.29Å; I150-M168 HydrophobicContact CG2-CB 3.97Å; I150-M168 HydrophobicContact CG2-SD 3.8Å; F154-M168 HydrophobicContact CD1-CB 4.14Å; F154-M168 HydrophobicContact CD1-CE 4.24Å; F154-M168 HydrophobicContact CD1-CG 3.82Å; F154-M168 HydrophobicContact CD1-SD 3.91Å; F154-M168 HydrophobicContact CE1-CE 4.01Å; F154-M168 HydrophobicContact CE1-CG 4.27Å; F154-M168 HydrophobicContact CE1-SD 4.29Å; V155-M168 WeakPolarHBondContact O-CA 3.27Å; M168-G177 PolarHBondContact N-O 3.47Å; M168-G177 PolarHBondContact O-N 2.9Å
169A98.9Very high96.3Very high0 Ų040.8 Ų40.80%020%0.201CC..EExtended strand (participates in β ladder)trans-144.2146.4177.800000113F154 V155 V157 F175 Y176F154-A169 CarbonylContact C-O 3.59Å; F154-A169 VanDerWaalsContact CA-O 3.3Å; F154-A169 WeakPolarHBondContact CA-O 3.48Å; V155-A169 PolarHBondContact N-O 3.05Å; V155-A169 PolarHBondContact O-N 3.27Å; V157-A169 HydrophobicContact CG2-CB 3.57Å; A169-F175 CarbonylContact C-O 3.09Å; A169-F175 WeakPolarHBondContact CA-O 3.44Å; A169-Y176 HydrophobicContact CB-CD1 3.73Å; A169-Y176 HydrophobicContact CB-CE1 4.05Å
170N98.8Very high96.2Very high6 Ų639.3 Ų39.33%0.03219%0.191CC..EExtended strand (participates in β ladder)trans-119.6100.7160.3177.7-28.7000107.4D153 F154 E172 K173 R174 F175D153-N170 VanDerWaalsContact CG-ND2 3.26Å; D153-N170 PolarHBondContact O-ND2 3.38Å; D153-N170 PolarHBondContact OD2-ND2 2.69Å; F154-N170 HydrophobicContact CD1-CB 4.09Å; F154-N170 HydrophobicContact CD2-CB 3.66Å; F154-N170 HydrophobicContact CE1-CB 4.03Å; F154-N170 HydrophobicContact CE2-CB 3.62Å; F154-N170 HydrophobicContact CG-CB 3.93Å; F154-N170 HydrophobicContact CZ-CB 3.82Å; N170-E172 VanDerWaalsContact C-N 3.33Å; N170-E172 PolarHBondContact O-N 2.97Å; N170-E172 PolarHBondContact OD1-N 3.44Å; N170-E172 VanDerWaalsContact OD1-N 3.16Å; N170-K173 HydrophobicContact CB-CB 4.41Å; N170-K173 WeakPolarHBondContact ND2-CG 3.42Å; N170-K173 PolarHBondContact O-N 2.95Å; N170-K173 PolarHBondContact OD1-N 3.2Å; N170-R174 VanDerWaalsContact O-CA 3.29Å; N170-R174 WeakPolarHBondContact O-CA 3.41Å; N170-R174 PolarHBondContact O-N 3.41Å; N170-F175 HydrophobicContact CB-CB 4.4Å; N170-F175 PolarHBondContact N-O 3.17Å; N170-F175 PolarHBondContact O-N 2.9Å
171E98.6Very high96.5Very high70 Ų7037.9 Ų37.933%0.32718%0.182SC..THydrogen-bonded Turntrans-69.2-29.3-175.9-62.4-63.1154.900112.8S119 A120 R174 Y176S119-E171 WeakPolarHBondContact CA-OE1 3.34Å; S119-E171 WeakPolarHBondContact CB-OE1 3.49Å; S119-E171 PolarHBondContact OG-OE1 3.33Å; A120-E171 WeakPolarHBondContact CB-OE2 3.46Å; A120-E171 PolarHBondContact N-OE1 3.44Å; A120-E171 PolarHBondContact N-OE2 3.41Å; E171-R174 PolarHBondContact O-N 2.82Å; E171-Y176 WeakPolarHBondContact OE1-CE1 3.47Å; E171-Y176 PolarHBondContact OE2-OH 3.27Å
172E98.5Very high97Very high172 Ų17228.4 Ų28.480%0.80414%0.138SC*.THydrogen-bonded Turntrans-66.3-44.9177.7-175-175.4-174.900110.7N170N170-E172 VanDerWaalsContact C-N 3.33Å; N170-E172 PolarHBondContact O-N 2.97Å; N170-E172 PolarHBondContact OD1-N 3.44Å; N170-E172 VanDerWaalsContact OD1-N 3.16Å
173K98.4Very high97.4Very high105 Ų10526.6 Ų26.646%0.45713%0.125SC..THydrogen-bonded Turntrans-83.4-16.6177.4-62.5-67-177174.50113.1N170 F175N170-K173 HydrophobicContact CB-CB 4.41Å; N170-K173 WeakPolarHBondContact ND2-CG 3.42Å; N170-K173 PolarHBondContact O-N 2.95Å; N170-K173 PolarHBondContact OD1-N 3.2Å; K173-F175 VanDerWaalsContact C-N 3.34Å; K173-F175 HydrophobicContact CB-CD1 4.06Å; K173-F175 HydrophobicContact CB-CD2 3.79Å; K173-F175 HydrophobicContact CB-CE1 4.14Å; K173-F175 HydrophobicContact CB-CE2 3.89Å; K173-F175 HydrophobicContact CB-CG 3.87Å; K173-F175 HydrophobicContact CB-CZ 4.05Å; K173-F175 HydrophobicContact CG-CD2 4.48Å; K173-F175 HydrophobicContact CG-CE2 4.35Å; K173-F175 WeakPolarHBondContact O-CD1 3.38Å
174R98.8Very high97.7Very high74 Ų7427.1 Ų27.128%0.27913%0.128SC..THydrogen-bonded Turntrans6043.7-170.5-55.4172-67.4160.7-0.5111.6G79 P81 V82 N170 E171 Y176 I201G79-R174 PolarHBondContact O-NH2 3.12Å; P81-R174 VanDerWaalsContact CA-O 3.28Å; P81-R174 WeakPolarHBondContact CA-O 3.39Å; P81-R174 HydrophobicContact CB-CB 3.92Å; P81-R174 WeakPolarHBondContact CB-O 3.42Å; P81-R174 HydrophobicContact CG-CB 4.02Å; V82-R174 PolarHBondContact N-O 3.29Å; V82-R174 VanDerWaalsContact N-O 3.12Å; N170-R174 VanDerWaalsContact O-CA 3.29Å; N170-R174 WeakPolarHBondContact O-CA 3.41Å; N170-R174 PolarHBondContact O-N 3.41Å; E171-R174 PolarHBondContact O-N 2.82Å; R174-Y176 HydrophobicContact CB-CE2 3.96Å; R174-Y176 WeakPolarHBondContact O-CD2 3.41Å; R174-Y176 VanDerWaalsContact O-CE2 3.32Å; R174-Y176 WeakPolarHBondContact O-CE2 3.3Å; R174-I201 HydrophobicContact CB-CG2 4.23Å; R174-I201 PolarHBondContact NH1-O 2.85Å
175F98.9Very high97.8Very high12 Ų1229 Ų295%0.05314%0.139CC..EExtended strand (participates in β ladder)trans-102.3128.9174.1-63.5-11.7000109.6F76 V82 M92 L96 F154 A169 N170 K173F76-F175 HydrophobicContact CB-CE2 3.99Å; F76-F175 HydrophobicContact CB-CZ 4.17Å; F76-F175 HydrophobicContact CD1-CE2 4.23Å; F76-F175 VanDerWaalsContact O-CZ 3.3Å; F76-F175 WeakPolarHBondContact O-CZ 3.4Å; V82-F175 HydrophobicContact CB-CD1 3.73Å; V82-F175 HydrophobicContact CB-CE1 4.08Å; V82-F175 HydrophobicContact CB-CG 4.41Å; V82-F175 HydrophobicContact CG2-CD1 3.79Å; V82-F175 HydrophobicContact CG2-CE1 3.58Å; V82-F175 HydrophobicContact CG2-CZ 4.36Å; V82-F175 WeakPolarHBondContact O-CA 3.27Å; M92-F175 HydrophobicContact CE-CB 4.27Å; M92-F175 HydrophobicContact SD-CB 4.15Å; L96-F175 HydrophobicContact CD1-CD2 4.13Å; L96-F175 HydrophobicContact CD1-CE2 4.46Å; F154-F175 HydrophobicContact CE1-CB 3.96Å; F154-F175 HydrophobicContact CZ-CB 3.62Å; F154-F175 HydrophobicContact CZ-CD2 4.05Å; F154-F175 HydrophobicContact CZ-CG 4.37Å; A169-F175 CarbonylContact C-O 3.09Å; A169-F175 WeakPolarHBondContact CA-O 3.44Å; N170-F175 HydrophobicContact CB-CB 4.4Å; N170-F175 PolarHBondContact N-O 3.17Å; N170-F175 PolarHBondContact O-N 2.9Å; K173-F175 VanDerWaalsContact C-N 3.34Å; K173-F175 HydrophobicContact CB-CD1 4.06Å; K173-F175 HydrophobicContact CB-CD2 3.79Å; K173-F175 HydrophobicContact CB-CE1 4.14Å; K173-F175 HydrophobicContact CB-CE2 3.89Å; K173-F175 HydrophobicContact CB-CG 3.87Å; K173-F175 HydrophobicContact CB-CZ 4.05Å; K173-F175 HydrophobicContact CG-CD2 4.48Å; K173-F175 HydrophobicContact CG-CE2 4.35Å; K173-F175 WeakPolarHBondContact O-CD1 3.38Å
176Y98.9Very high97.8Very high3 Ų332.5 Ų32.51%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-131140.2-176.4-53.4-84.7000109.3V82 F83 G84 L121 A169 E171 R174 F197 I201V82-Y176 PolarHBondContact O-N 3.21Å; F83-Y176 CarbonylContact C-O 3.58Å; F83-Y176 WeakPolarHBondContact CA-O 3.31Å; G84-Y176 PolarHBondContact N-O 3.49Å; L121-Y176 HydrophobicContact CB-CD1 3.68Å; L121-Y176 HydrophobicContact CB-CE1 3.95Å; L121-Y176 HydrophobicContact CB-CG 4.27Å; L121-Y176 HydrophobicContact CD2-CD1 4.09Å; L121-Y176 HydrophobicContact CD2-CG 4.09Å; L121-Y176 HydrophobicContact CG-CD1 4.41Å; A169-Y176 HydrophobicContact CB-CD1 3.73Å; A169-Y176 HydrophobicContact CB-CE1 4.05Å; E171-Y176 WeakPolarHBondContact OE1-CE1 3.47Å; E171-Y176 PolarHBondContact OE2-OH 3.27Å; R174-Y176 HydrophobicContact CB-CE2 3.96Å; R174-Y176 WeakPolarHBondContact O-CD2 3.41Å; R174-Y176 VanDerWaalsContact O-CE2 3.32Å; R174-Y176 WeakPolarHBondContact O-CE2 3.3Å; Y176-F197 HydrophobicContact CD2-CD2 4.13Å; Y176-F197 HydrophobicContact CD2-CE2 4.14Å; Y176-I201 HydrophobicContact CD2-CD1 4.49Å; Y176-I201 HydrophobicContact CE1-CD1 4.46Å; Y176-I201 HydrophobicContact CE2-CD1 3.84Å; Y176-I201 HydrophobicContact CE2-CG2 3.73Å
177G98.6Very high97.8Very high0 Ų032.8 Ų32.80%016%0.157CC..EExtended strand (participates in β ladder)trans-132.6132.6175.400000110.5G84 M89 I167 M168G84-G177 CarbonylContact O-C 3.54Å; G84-G177 WeakPolarHBondContact O-CA 3.24Å; M89-G177 VanDerWaalsContact SD-C 3.5Å; I167-G177 CarbonylContact C-O 3.55Å; I167-G177 VanDerWaalsContact CA-O 3.29Å; I167-G177 WeakPolarHBondContact CA-O 3.23Å; M168-G177 PolarHBondContact N-O 3.47Å; M168-G177 PolarHBondContact O-N 2.9Å
178V98Very high97.8Very high0 Ų039.6 Ų39.60%018%0.183CC..EExtended strand (participates in β ladder)trans-124.7141.2175.4-65.50000110.3F83 G84 V85 C86 L121 A166 I167 F180 M193F83-V178 HydrophobicContact CE2-CB 4.2Å; F83-V178 HydrophobicContact CE2-CG1 3.61Å; F83-V178 HydrophobicContact CE2-CG2 3.59Å; F83-V178 HydrophobicContact CZ-CB 4.49Å; F83-V178 HydrophobicContact CZ-CG1 3.97Å; F83-V178 HydrophobicContact CZ-CG2 3.66Å; G84-V178 PolarHBondContact O-N 3.07Å; V85-V178 HydrophobicContact CB-CG2 4.47Å; V85-V178 HydrophobicContact CG1-CG2 4.48Å; V85-V178 HydrophobicContact CG2-CG2 4.18Å; C86-V178 PolarHBondContact N-O 2.89Å; L121-V178 HydrophobicContact CD2-CG1 4.12Å; A166-V178 WeakPolarHBondContact O-CA 3.46Å; I167-V178 HydrophobicContact CD1-CG1 4.3Å; I167-V178 HydrophobicContact CG1-CG1 3.98Å; I167-V178 HydrophobicContact CG2-CG1 4.1Å; V178-F180 VanDerWaalsContact C-N 3.33Å; V178-F180 HydrophobicContact CB-CD1 4.29Å; V178-F180 HydrophobicContact CB-CD2 4.4Å; V178-F180 HydrophobicContact CB-CE1 3.98Å; V178-F180 HydrophobicContact CB-CE2 4.09Å; V178-F180 HydrophobicContact CB-CG 4.48Å; V178-F180 HydrophobicContact CB-CZ 3.87Å; V178-F180 HydrophobicContact CG1-CE1 4.12Å; V178-F180 HydrophobicContact CG1-CE2 4.16Å; V178-F180 HydrophobicContact CG1-CZ 3.7Å; V178-F180 HydrophobicContact CG2-CE2 4.44Å; V178-F180 WeakPolarHBondContact CG2-O 3.3Å; V178-M193 HydrophobicContact CG1-SD 4.14Å
179Q96.1Very high97.8Very high0 Ų041.4 Ų41.40%019%0.191CC..SBendtrans-92.35.5179.7-160.261.786.800113.3C86 M89 M141 H143 A166C86-Q179 PolarHBondContact SG-NE2 2.99Å; C86-Q179 VanDerWaalsContact SG-NE2 3.4Å; M89-Q179 HydrophobicContact SD-CB 4.06Å; M141-Q179 HydrophobicContact CE-CB 4.17Å; M141-Q179 HydrophobicContact CE-CG 4.19Å; M141-Q179 HydrophobicContact SD-CB 4.37Å; H143-Q179 HydrophobicContact CB-CG 3.92Å; H143-Q179 VanDerWaalsContact CD2-CG 3.45Å; H143-Q179 WeakPolarHBondContact CD2-CG 3.3Å; A166-Q179 PolarHBondContact O-N 3.2Å
180F96.1Very high97.8Very high0 Ų041.4 Ų41.40%019%0.191CC..BIsolated β-bridgetrans-121.9170.5176.354.5-96.7000111.6V85 V113 V139 W140 M141 I167 V178 P182 T187 M193V85-F180 WeakPolarHBondContact CG1-O 3.44Å; V113-F180 HydrophobicContact CG2-CE1 4.29Å; V139-F180 HydrophobicContact CB-CB 3.83Å; V139-F180 HydrophobicContact CB-CD1 3.95Å; V139-F180 HydrophobicContact CB-CD2 3.9Å; V139-F180 HydrophobicContact CB-CE1 4.49Å; V139-F180 HydrophobicContact CB-CE2 4.46Å; V139-F180 HydrophobicContact CB-CG 3.62Å; V139-F180 HydrophobicContact CG1-CD1 3.94Å; V139-F180 HydrophobicContact CG1-CD2 3.84Å; V139-F180 HydrophobicContact CG1-CE1 3.97Å; V139-F180 HydrophobicContact CG1-CE2 3.89Å; V139-F180 HydrophobicContact CG1-CG 3.87Å; V139-F180 HydrophobicContact CG1-CZ 3.96Å; V139-F180 HydrophobicContact CG2-CB 4Å; V139-F180 HydrophobicContact CG2-CD1 3.89Å; V139-F180 HydrophobicContact CG2-CG 3.96Å; W140-F180 VanDerWaalsContact O-CA 3.25Å; W140-F180 WeakPolarHBondContact O-CA 3.38Å; W140-F180 WeakPolarHBondContact O-CB 3.38Å; M141-F180 HydrophobicContact CG-CB 4.46Å; M141-F180 HydrophobicContact SD-CB 3.74Å; M141-F180 HydrophobicContact SD-CD1 4.16Å; M141-F180 HydrophobicContact SD-CG 4.48Å; I167-F180 HydrophobicContact CD1-CE1 3.75Å; I167-F180 HydrophobicContact CD1-CZ 3.74Å; I167-F180 HydrophobicContact CG1-CE1 3.61Å; I167-F180 HydrophobicContact CG1-CZ 4.03Å; V178-F180 VanDerWaalsContact C-N 3.33Å; V178-F180 HydrophobicContact CB-CD1 4.29Å; V178-F180 HydrophobicContact CB-CD2 4.4Å; V178-F180 HydrophobicContact CB-CE1 3.98Å; V178-F180 HydrophobicContact CB-CE2 4.09Å; V178-F180 HydrophobicContact CB-CG 4.48Å; V178-F180 HydrophobicContact CB-CZ 3.87Å; V178-F180 HydrophobicContact CG1-CE1 4.12Å; V178-F180 HydrophobicContact CG1-CE2 4.16Å; V178-F180 HydrophobicContact CG1-CZ 3.7Å; V178-F180 HydrophobicContact CG2-CE2 4.44Å; V178-F180 WeakPolarHBondContact CG2-O 3.3Å; F180-P182 VanDerWaalsContact O-CD 3.27Å; F180-P182 WeakPolarHBondContact O-CD 3.43Å; F180-T187 HydrophobicContact CD2-CG2 4.22Å; F180-T187 HydrophobicContact CE2-CG2 4.32Å; F180-M193 HydrophobicContact CE2-CE 3.96Å; F180-M193 HydrophobicContact CE2-SD 3.77Å; F180-M193 HydrophobicContact CZ-CE 3.82Å; F180-M193 HydrophobicContact CZ-SD 3.87Å
181H97.3Very high97.7Very high4 Ų444.2 Ų44.22%0.01921%0.205CC..  trans-99.6103.3-178.7-72.7-93.1000111.9Y19 W140 S142 E183 V184 T187Y19-H181 AromaticContact CD2-CE1 3.89Å; Y19-H181 AromaticContact CD2-ND1 3.68Å; W140-H181 PolarHBondContact O-N 3.22Å; S142-H181 VanDerWaalsContact CB-CD2 3.45Å; S142-H181 WeakPolarHBondContact CB-CD2 3.48Å; H181-E183 VanDerWaalsContact C-OE2 3.23Å; H181-E183 VanDerWaalsContact CA-OE2 3.25Å; H181-E183 WeakPolarHBondContact CA-OE2 3.36Å; H181-E183 VanDerWaalsContact CB-OE2 3.31Å; H181-E183 WeakPolarHBondContact CB-OE2 3.36Å; H181-E183 IonicContact CE1-OE1 2.7Å; H181-E183 IonicContact CG-OE1 2.87Å; H181-E183 IonicContact CG-OE2 3.58Å; H181-E183 IonicContact ND1-OE1 3.37Å; H181-E183 PolarHBondContact ND1-OE1 2.98Å; H181-E183 IonicContact ND1-OE2 2.72Å; H181-E183 PolarHBondContact O-N 3.07Å; H181-V184 HydrophobicContact CB-CG1 4.23Å; H181-V184 HydrophobicContact CB-CG2 3.91Å; H181-V184 VanDerWaalsContact O-CG2 3.32Å; H181-V184 WeakPolarHBondContact O-CG2 3.47Å; H181-T187 WeakPolarHBondContact O-CB 3.42Å; H181-T187 PolarHBondContact O-OG1 2.97Å
182P98.2Very high97.7Very high2 Ų245.8 Ų45.81%0.01321%0.208CC..THydrogen-bonded Turntrans-73-13.6176.431-36.6000113.7F83 V85 F180 G190 M193 L194F83-P182 HydrophobicContact CE1-CG 3.99Å; F83-P182 HydrophobicContact CZ-CG 4.07Å; V85-P182 HydrophobicContact CG2-CG 4.39Å; F180-P182 VanDerWaalsContact O-CD 3.27Å; F180-P182 WeakPolarHBondContact O-CD 3.43Å; P182-G190 CarbonylContact O-C 3.5Å; P182-G190 WeakPolarHBondContact O-CA 3.49Å; P182-M193 HydrophobicContact CB-SD 4.49Å; P182-L194 HydrophobicContact CB-CG 4.24Å; P182-L194 HydrophobicContact CG-CD2 4.32Å; P182-L194 HydrophobicContact CG-CG 4.27Å
183E97.8Very high97.8Very high3 Ų337.7 Ų37.71%0.01417%0.17CC..THydrogen-bonded Turntrans-80.2-19.8-178.572.2-83.5-155.700114Y19 L22 V23 R26 H181 L194Y19-E183 WeakPolarHBondContact CB-OE1 3.4Å; L22-E183 HydrophobicContact CB-CG 4.15Å; L22-E183 HydrophobicContact CD2-CB 4.44Å; L22-E183 HydrophobicContact CD2-CG 4.03Å; L22-E183 VanDerWaalsContact CD2-O 3.28Å; L22-E183 WeakPolarHBondContact CD2-O 3.28Å; L22-E183 HydrophobicContact CG-CB 4.19Å; L22-E183 HydrophobicContact CG-CG 4.08Å; V23-E183 HydrophobicContact CB-CB 4.48Å; V23-E183 HydrophobicContact CG2-CB 3.86Å; V23-E183 HydrophobicContact CG2-CG 3.65Å; R26-E183 HydrophobicContact CG-CB 4.05Å; R26-E183 PolarHBondContact NE-O 3.31Å; R26-E183 VanDerWaalsContact NE-O 3.08Å; H181-E183 VanDerWaalsContact C-OE2 3.23Å; H181-E183 VanDerWaalsContact CA-OE2 3.25Å; H181-E183 WeakPolarHBondContact CA-OE2 3.36Å; H181-E183 VanDerWaalsContact CB-OE2 3.31Å; H181-E183 WeakPolarHBondContact CB-OE2 3.36Å; H181-E183 IonicContact CE1-OE1 2.7Å; H181-E183 IonicContact CG-OE1 2.87Å; H181-E183 IonicContact CG-OE2 3.58Å; H181-E183 IonicContact ND1-OE1 3.37Å; H181-E183 PolarHBondContact ND1-OE1 2.98Å; H181-E183 IonicContact ND1-OE2 2.72Å; H181-E183 PolarHBondContact O-N 3.07Å; E183-L194 HydrophobicContact CB-CD1 4.26Å
184V96.5Very high97.8Very high12 Ų1232.8 Ų32.87%0.07315%0.149CC..SBendtrans-88.7147.6179-57.40000111.2Y19 L22 W140 H181 H186 T187Y19-V184 HydrophobicContact CD1-CG1 3.97Å; Y19-V184 HydrophobicContact CD2-CG1 4.28Å; Y19-V184 HydrophobicContact CE1-CG1 4.09Å; Y19-V184 HydrophobicContact CE2-CG1 4.39Å; Y19-V184 HydrophobicContact CG-CG1 4.08Å; L22-V184 HydrophobicContact CD2-CG1 4.04Å; W140-V184 HydrophobicContact CB-CG2 3.62Å; W140-V184 HydrophobicContact CG-CG2 3.94Å; H181-V184 HydrophobicContact CB-CG1 4.23Å; H181-V184 HydrophobicContact CB-CG2 3.91Å; H181-V184 VanDerWaalsContact O-CG2 3.32Å; H181-V184 WeakPolarHBondContact O-CG2 3.47Å; V184-H186 HydrophobicContact CG2-CB 4.29Å; V184-H186 PolarHBondContact O-N 3.1Å; V184-T187 PolarHBondContact O-N 3.13Å; V184-T187 VanDerWaalsContact O-N 3.16Å
185T95.1Very high97.8Very high111 Ų11133 Ų3368%0.68115%0.153SC*.THydrogen-bonded Turntrans-68.5-16.3-176.949.10000114.1T187T185-T187 PolarHBondContact O-N 3.07Å
186H96.1Very high97.8Very high109 Ų10934.6 Ų34.651%0.50516%0.159SC..THydrogen-bonded Turntrans-68.9-24.5174.5-64.2-54.6000112.7W140 V184 R188W140-H186 HydrophobicContact CB-CB 3.85Å; W140-H186 HydrophobicContact CD2-CB 3.84Å; W140-H186 AromaticContact CD2-CD2 3.92Å; W140-H186 HydrophobicContact CE3-CB 3.53Å; W140-H186 AromaticContact CE3-CD2 3.93Å; W140-H186 AromaticContact CE3-CG 3.74Å; W140-H186 HydrophobicContact CG-CB 4.01Å; W140-H186 HydrophobicContact CZ3-CB 4.32Å; V184-H186 HydrophobicContact CG2-CB 4.29Å; V184-H186 PolarHBondContact O-N 3.1Å; H186-R188 PolarHBondContact O-N 3.14Å
187T98Very high97.8Very high6 Ų634.4 Ų34.44%0.03716%0.158CC..SBendtrans-84.6101.4169.3-58.40000108.4D138 V139 W140 F180 H181 V184 T185 Q189 G190D138-T187 WeakPolarHBondContact O-CA 3.41Å; V139-T187 HydrophobicContact CB-CG2 4.27Å; V139-T187 HydrophobicContact CG1-CG2 3.98Å; W140-T187 PolarHBondContact N-OG1 3.15Å; F180-T187 HydrophobicContact CD2-CG2 4.22Å; F180-T187 HydrophobicContact CE2-CG2 4.32Å; H181-T187 WeakPolarHBondContact O-CB 3.42Å; H181-T187 PolarHBondContact O-OG1 2.97Å; V184-T187 PolarHBondContact O-N 3.13Å; V184-T187 VanDerWaalsContact O-N 3.16Å; T185-T187 PolarHBondContact O-N 3.07Å; T187-Q189 VanDerWaalsContact C-N 3.33Å; T187-Q189 PolarHBondContact O-N 2.82Å; T187-G190 PolarHBondContact O-N 3.09Å
188R97.8Very high97.8Very high143 Ų14334.4 Ų34.454%0.5416%0.158SC..THydrogen-bonded Turntrans-57-43.1-162.2180154.770.8-139.49.9113.4D127 D138 H186D127-R188 PolarHBondContact O-NH2 3.47Å; D127-R188 IonicContact OD1-CZ 3.62Å; D127-R188 IonicContact OD1-NE 3.86Å; D127-R188 PolarHBondContact OD1-NE 2.72Å; D127-R188 IonicContact OD1-NH2 3.63Å; D138-R188 HydrophobicContact CB-CB 4.41Å; D138-R188 PolarHBondContact O-N 3.24Å; D138-R188 VanDerWaalsContact O-N 3.12Å; D138-R188 IonicContact OD2-CZ 2.69Å; D138-R188 IonicContact OD2-NE 3.58Å; D138-R188 IonicContact OD2-NH1 3.69Å; D138-R188 PolarHBondContact OD2-NH1 3.29Å; D138-R188 IonicContact OD2-NH2 3.56Å; D138-R188 PolarHBondContact OD2-NH2 2.77Å; H186-R188 PolarHBondContact O-N 3.14Å
189Q98.2Very high97.8Very high38 Ų3838.3 Ų38.318%0.17817%0.173CC..THydrogen-bonded Turntrans-106.324.7176.4-72.3-176.687.500113.3I125 E126 D127 T187 M191 R192 M193I125-Q189 HydrophobicContact CG2-CB 3.62Å; I125-Q189 HydrophobicContact CG2-CG 4.24Å; E126-Q189 PolarHBondContact O-NE2 2.84Å; D127-Q189 PolarHBondContact OD1-NE2 2.72Å; T187-Q189 VanDerWaalsContact C-N 3.33Å; T187-Q189 PolarHBondContact O-N 2.82Å; Q189-M191 VanDerWaalsContact C-N 3.32Å; Q189-M191 PolarHBondContact O-N 2.94Å; Q189-R192 HydrophobicContact CB-CB 4.31Å; Q189-R192 WeakPolarHBondContact O-CB 3.27Å; Q189-R192 PolarHBondContact O-N 3.21Å; Q189-M193 PolarHBondContact O-N 3.14Å; Q189-M193 VanDerWaalsContact O-N 3.07Å
190G98.4Very high97.9Very high0 Ų042.7 Ų42.70%020%0.196CC..Hα-helixtrans-58.8-40.3-178.600000113.6P182 T187 R192 M193 L194P182-G190 CarbonylContact O-C 3.5Å; P182-G190 WeakPolarHBondContact O-CA 3.49Å; T187-G190 PolarHBondContact O-N 3.09Å; G190-R192 VanDerWaalsContact C-N 3.32Å; G190-R192 PolarHBondContact O-N 3.13Å; G190-M193 WeakPolarHBondContact O-CB 3.46Å; G190-M193 PolarHBondContact O-N 2.84Å; G190-L194 PolarHBondContact O-N 2.83Å
191M98.4Very high98Very high65 Ų6543.4 Ų43.432%0.3220%0.2SC..Hα-helixtrans-61.6-37.1173.2-91.1-63.2-7800113.3R26 E29 L30 Q189 M193 L194 E195R26-M191 HydrophobicContact CB-SD 3.72Å; R26-M191 VanDerWaalsContact CD-SD 3.58Å; R26-M191 HydrophobicContact CG-SD 3.92Å; E29-M191 HydrophobicContact CB-CE 4.1Å; L30-M191 HydrophobicContact CD2-CE 3.56Å; L30-M191 HydrophobicContact CG-CE 3.76Å; Q189-M191 VanDerWaalsContact C-N 3.32Å; Q189-M191 PolarHBondContact O-N 2.94Å; M191-M193 VanDerWaalsContact C-N 3.33Å; M191-L194 PolarHBondContact O-N 2.88Å; M191-E195 WeakPolarHBondContact O-CB 3.28Å; M191-E195 PolarHBondContact O-N 3.33Å
192R98.5Very high98.1Very high102 Ų10243.7 Ų43.739%0.38520%0.202SC..Hα-helixtrans-69.7-33.4177.6-168.1177.7-176.9-153.8-7111.6G124 I125 Q189 G190 E195 R196G124-R192 VanDerWaalsContact O-CZ 3.25Å; G124-R192 PolarHBondContact O-NH1 2.96Å; G124-R192 PolarHBondContact O-NH2 3.01Å; I125-R192 HydrophobicContact CD1-CB 4.42Å; I125-R192 HydrophobicContact CD1-CG 4.08Å; I125-R192 HydrophobicContact CG1-CG 4.36Å; Q189-R192 HydrophobicContact CB-CB 4.31Å; Q189-R192 WeakPolarHBondContact O-CB 3.27Å; Q189-R192 PolarHBondContact O-N 3.21Å; G190-R192 VanDerWaalsContact C-N 3.32Å; G190-R192 PolarHBondContact O-N 3.13Å; R192-E195 PolarHBondContact O-N 2.95Å; R192-R196 WeakPolarHBondContact O-CB 3.35Å; R192-R196 PolarHBondContact O-N 3.35Å
193M98.7Very high98.1Very high3 Ų350.4 Ų50.42%0.01523%0.233CC..Hα-helixtrans-68.8-43.2173.8-168.1174.6-61.300111.7F83 L121 V122 I125 L137 V178 F180 P182 Q189 G190 M191 E195 R196 F197F83-M193 HydrophobicContact CZ-CG 4.47Å; F83-M193 HydrophobicContact CZ-SD 4.32Å; L121-M193 HydrophobicContact CD1-CG 3.75Å; L121-M193 HydrophobicContact CD2-CG 4.38Å; L121-M193 HydrophobicContact CD2-SD 4.29Å; L121-M193 HydrophobicContact CG-CG 3.9Å; L121-M193 HydrophobicContact CG-SD 4.34Å; V122-M193 HydrophobicContact CG1-CE 3.83Å; I125-M193 HydrophobicContact CD1-CB 4.41Å; L137-M193 HydrophobicContact CD1-CE 4.01Å; V178-M193 HydrophobicContact CG1-SD 4.14Å; F180-M193 HydrophobicContact CE2-CE 3.96Å; F180-M193 HydrophobicContact CE2-SD 3.77Å; F180-M193 HydrophobicContact CZ-CE 3.82Å; F180-M193 HydrophobicContact CZ-SD 3.87Å; P182-M193 HydrophobicContact CB-SD 4.49Å; Q189-M193 PolarHBondContact O-N 3.14Å; Q189-M193 VanDerWaalsContact O-N 3.07Å; G190-M193 WeakPolarHBondContact O-CB 3.46Å; G190-M193 PolarHBondContact O-N 2.84Å; M191-M193 VanDerWaalsContact C-N 3.33Å; M193-E195 VanDerWaalsContact C-N 3.34Å; M193-R196 PolarHBondContact O-N 3.45Å; M193-F197 PolarHBondContact O-N 3.33Å
194L98.8Very high98.2Very high1 Ų150.4 Ų50.41%0.00523%0.234CC..Hα-helixtrans-63.6-39.8172.3-74.7168.5000111.6R26 L30 I55 F83 P182 E183 G190 M191 F197 V198R26-L194 HydrophobicContact CB-CD1 3.66Å; R26-L194 HydrophobicContact CG-CD1 4.04Å; L30-L194 HydrophobicContact CD1-CB 3.89Å; I55-L194 HydrophobicContact CD1-CD2 4.45Å; F83-L194 HydrophobicContact CD1-CD2 4.34Å; F83-L194 HydrophobicContact CE1-CD2 3.99Å; P182-L194 HydrophobicContact CB-CG 4.24Å; P182-L194 HydrophobicContact CG-CD2 4.32Å; P182-L194 HydrophobicContact CG-CG 4.27Å; E183-L194 HydrophobicContact CB-CD1 4.26Å; G190-L194 PolarHBondContact O-N 2.83Å; M191-L194 PolarHBondContact O-N 2.88Å; L194-F197 PolarHBondContact O-N 3.15Å; L194-V198 WeakPolarHBondContact O-CB 3.27Å; L194-V198 WeakPolarHBondContact O-CG2 3.18Å; L194-V198 PolarHBondContact O-N 3.08Å
195E98.8Very high98.3Very high80 Ų8054.4 Ų54.437%0.37425%0.252SS..Hα-helixtrans-59.1-49.6173.5-173.5173.7-132.300111.2L30 M191 R192 M193 F197 V198 R199L30-E195 HydrophobicContact CD1-CB 4.28Å; L30-E195 HydrophobicContact CD2-CB 3.64Å; L30-E195 HydrophobicContact CD2-CG 3.94Å; M191-E195 WeakPolarHBondContact O-CB 3.28Å; M191-E195 PolarHBondContact O-N 3.33Å; R192-E195 PolarHBondContact O-N 2.95Å; M193-E195 VanDerWaalsContact C-N 3.34Å; E195-F197 VanDerWaalsContact C-N 3.3Å; E195-F197 PolarHBondContact O-N 3.4Å; E195-V198 PolarHBondContact O-N 3.41Å; E195-R199 HydrophobicContact CG-CB 4.25Å; E195-R199 HydrophobicContact CG-CG 3.85Å; E195-R199 WeakPolarHBondContact O-CA 3.43Å; E195-R199 VanDerWaalsContact O-CB 3.25Å; E195-R199 WeakPolarHBondContact O-CB 3.23Å; E195-R199 PolarHBondContact O-N 3.14Å
196R98.8Very high98.4Very high44 Ų4450.7 Ų50.717%0.16623%0.232CC..Iπ-helixtrans-55.2-45.5176.7177.85959.269.15.3111.6A120 L121 R123 R192 M193 D200 I201A120-R196 WeakPolarHBondContact O-CD 3.33Å; A120-R196 WeakPolarHBondContact O-CG 3.43Å; A120-R196 PolarHBondContact O-NH1 3.49Å; L121-R196 WeakPolarHBondContact O-CG 3.44Å; R123-R196 PolarHBondContact O-NH1 2.91Å; R123-R196 PolarHBondContact O-NH2 2.97Å; R123-R196 VanDerWaalsContact O-NH2 3.13Å; R192-R196 WeakPolarHBondContact O-CB 3.35Å; R192-R196 PolarHBondContact O-N 3.35Å; M193-R196 PolarHBondContact O-N 3.45Å; R196-D200 WeakPolarHBondContact CD-OD2 3.49Å; R196-D200 IonicContact CZ-OD2 2.68Å; R196-D200 IonicContact NE-OD2 2.75Å; R196-D200 PolarHBondContact NE-OD2 2.63Å; R196-D200 WeakPolarHBondContact O-CB 3.3Å; R196-D200 PolarHBondContact O-N 2.94Å; R196-I201 HydrophobicContact CG-CD1 4.05Å; R196-I201 WeakPolarHBondContact O-CG1 3.49Å; R196-I201 PolarHBondContact O-N 3.19Å
197F98.9Very high98.5Very high0 Ų046.8 Ų46.80%022%0.215CC..Iπ-helixtrans-65-51.8177.9-178.5-105.5000112.3I55 P81 F83 L121 Y176 M193 L194 E195 I201 C202I55-F197 HydrophobicContact CD1-CD1 4.36Å; I55-F197 HydrophobicContact CD1-CE1 4.34Å; I55-F197 HydrophobicContact CG1-CD1 4.21Å; I55-F197 HydrophobicContact CG1-CE1 3.75Å; P81-F197 HydrophobicContact CB-CE2 3.64Å; P81-F197 HydrophobicContact CB-CZ 3.96Å; F83-F197 HydrophobicContact CB-CD1 3.91Å; F83-F197 HydrophobicContact CB-CD2 3.79Å; F83-F197 HydrophobicContact CB-CE1 3.67Å; F83-F197 HydrophobicContact CB-CE2 3.55Å; F83-F197 HydrophobicContact CB-CG 3.97Å; F83-F197 HydrophobicContact CB-CZ 3.48Å; F83-F197 VanDerWaalsContact CB-CZ 3.48Å; F83-F197 HydrophobicContact CD1-CB 4.35Å; F83-F197 HydrophobicContact CD1-CD1 4.13Å; F83-F197 HydrophobicContact CD1-CG 4.07Å; F83-F197 HydrophobicContact CG-CD1 4.41Å; F83-F197 HydrophobicContact CG-CD2 4.26Å; F83-F197 HydrophobicContact CG-CE2 4.48Å; F83-F197 HydrophobicContact CG-CG 4.23Å; L121-F197 HydrophobicContact CD1-CB 4.14Å; Y176-F197 HydrophobicContact CD2-CD2 4.13Å; Y176-F197 HydrophobicContact CD2-CE2 4.14Å; M193-F197 PolarHBondContact O-N 3.33Å; L194-F197 PolarHBondContact O-N 3.15Å; E195-F197 VanDerWaalsContact C-N 3.3Å; E195-F197 PolarHBondContact O-N 3.4Å; F197-I201 HydrophobicContact CD2-CB 4.49Å; F197-I201 HydrophobicContact CD2-CD1 4.49Å; F197-I201 HydrophobicContact CD2-CG2 4.25Å; F197-I201 HydrophobicContact CE2-CG2 4.42Å; F197-I201 WeakPolarHBondContact O-CB 3.47Å; F197-C202 WeakPolarHBondContact O-CB 3.47Å; F197-C202 PolarHBondContact O-N 3.12Å; F197-C202 PolarHBondContact O-SG 3.41Å
198V98.8Very high98.5Very high0 Ų046.9 Ų46.90%022%0.215CC..Iπ-helixtrans-75.1-46.2-1721740000112I10 V27 L30 V32 L194 E195 C202 C204I10-V198 HydrophobicContact CD1-CG1 4.46Å; I10-V198 HydrophobicContact CD1-CG2 4.49Å; I10-V198 HydrophobicContact CG1-CG1 4.15Å; I10-V198 HydrophobicContact CG1-CG2 4.26Å; V27-V198 HydrophobicContact CG1-CG1 4.47Å; V27-V198 HydrophobicContact CG1-CG2 4.39Å; V27-V198 HydrophobicContact CG2-CG2 4.2Å; L30-V198 HydrophobicContact CD1-CB 4.47Å; L30-V198 HydrophobicContact CD1-CG2 4.48Å; V32-V198 HydrophobicContact CB-CG1 3.75Å; V32-V198 HydrophobicContact CG1-CG1 3.97Å; V32-V198 HydrophobicContact CG2-CG1 3.54Å; L194-V198 WeakPolarHBondContact O-CB 3.27Å; L194-V198 WeakPolarHBondContact O-CG2 3.18Å; L194-V198 PolarHBondContact O-N 3.08Å; E195-V198 PolarHBondContact O-N 3.41Å; V198-C202 WeakPolarHBondContact O-CB 3.15Å; V198-C204 HydrophobicContact CG1-CB 4.17Å; V198-C204 WeakPolarHBondContact O-CB 3.28Å; V198-C204 PolarHBondContact O-N 2.91Å; V198-C204 VanDerWaalsContact O-N 3.16Å
199R98.6Very high98.5Very high81 Ų8142.3 Ų42.331%0.30620%0.203SC..Iπ-helixtrans-87.6-44.1-171.1-59.9-64.9-55.8-67.2-10.3112.4E195 Q203 C204 A206E195-R199 HydrophobicContact CG-CB 4.25Å; E195-R199 HydrophobicContact CG-CG 3.85Å; E195-R199 WeakPolarHBondContact O-CA 3.43Å; E195-R199 VanDerWaalsContact O-CB 3.25Å; E195-R199 WeakPolarHBondContact O-CB 3.23Å; E195-R199 PolarHBondContact O-N 3.14Å; R199-Q203 WeakPolarHBondContact O-CA 3.46Å; R199-Q203 PolarHBondContact O-N 2.98Å; R199-C204 WeakPolarHBondContact CD-O 3.35Å; R199-C204 PolarHBondContact NE-O 2.74Å; R199-A206 VanDerWaalsContact CZ-CB 3.47Å
200D98.7Very high98.4Very high92 Ų9242.4 Ų42.449%0.49221%0.207SC..Iπ-helixtrans-91.8-52.9-174-52.1-27000111.2R196 Q203R196-D200 WeakPolarHBondContact CD-OD2 3.49Å; R196-D200 IonicContact CZ-OD2 2.68Å; R196-D200 IonicContact NE-OD2 2.75Å; R196-D200 PolarHBondContact NE-OD2 2.63Å; R196-D200 WeakPolarHBondContact O-CB 3.3Å; R196-D200 PolarHBondContact O-N 2.94Å; D200-Q203 WeakPolarHBondContact O-CG 3.39Å; D200-Q203 PolarHBondContact O-N 2.61Å
201I98.8Very high98.4Very high15 Ų1544.8 Ų44.88%0.07723%0.226CC..Iπ-helixtrans-74.5-45.8-173.8-66.5167.7000111.5P81 A120 L121 R174 Y176 R196 F197 Q203P81-I201 HydrophobicContact CB-CG2 3.79Å; P81-I201 HydrophobicContact CG-CG2 3.82Å; A120-I201 HydrophobicContact CB-CD1 4.22Å; A120-I201 HydrophobicContact CB-CG1 4.35Å; L121-I201 HydrophobicContact CB-CD1 4.38Å; L121-I201 HydrophobicContact CD1-CD1 4.29Å; R174-I201 HydrophobicContact CB-CG2 4.23Å; R174-I201 PolarHBondContact NH1-O 2.85Å; Y176-I201 HydrophobicContact CD2-CD1 4.49Å; Y176-I201 HydrophobicContact CE1-CD1 4.46Å; Y176-I201 HydrophobicContact CE2-CD1 3.84Å; Y176-I201 HydrophobicContact CE2-CG2 3.73Å; R196-I201 HydrophobicContact CG-CD1 4.05Å; R196-I201 WeakPolarHBondContact O-CG1 3.49Å; R196-I201 PolarHBondContact O-N 3.19Å; F197-I201 HydrophobicContact CD2-CB 4.49Å; F197-I201 HydrophobicContact CD2-CD1 4.49Å; F197-I201 HydrophobicContact CD2-CG2 4.25Å; F197-I201 HydrophobicContact CE2-CG2 4.42Å; F197-I201 WeakPolarHBondContact O-CB 3.47Å; I201-Q203 VanDerWaalsContact C-N 3.3Å
202C98.8Very high98.3Very high10 Ų1045.2 Ų45.27%0.06823%0.227CC..SBendtrans-81.3-11.1174.5-580000112.8I10 F197 V198 C204I10-C202 HydrophobicContact CD1-CB 4.3Å; F197-C202 WeakPolarHBondContact O-CB 3.47Å; F197-C202 PolarHBondContact O-N 3.12Å; F197-C202 PolarHBondContact O-SG 3.41Å; V198-C202 WeakPolarHBondContact O-CB 3.15Å; C202-C204 PolarHBondContact O-N 3.37Å
203Q98.6Very high98.3Very high143 Ų14340.7 Ų40.767%0.66821%0.21SC*.  trans58.332.7-179.4-57.6175.6108.500113.4R199 D200 I201R199-Q203 WeakPolarHBondContact O-CA 3.46Å; R199-Q203 PolarHBondContact O-N 2.98Å; D200-Q203 WeakPolarHBondContact O-CG 3.39Å; D200-Q203 PolarHBondContact O-N 2.61Å; I201-Q203 VanDerWaalsContact C-N 3.3Å
204C98.7Very high98.3Very high3 Ų340.9 Ų40.92%0.0221%0.211CC..  trans-77.5130.5179-63.80000111.5H8 V32 V198 R199 C202H8-C204 HydrophobicContact CB-CB 3.95Å; V32-C204 HydrophobicContact CB-CB 4.43Å; V32-C204 HydrophobicContact CG1-CB 3.79Å; V32-C204 HydrophobicContact CG2-CB 3.72Å; V198-C204 HydrophobicContact CG1-CB 4.17Å; V198-C204 WeakPolarHBondContact O-CB 3.28Å; V198-C204 PolarHBondContact O-N 2.91Å; V198-C204 VanDerWaalsContact O-N 3.16Å; R199-C204 WeakPolarHBondContact CD-O 3.35Å; R199-C204 PolarHBondContact NE-O 2.74Å; C202-C204 PolarHBondContact O-N 3.37Å
205E98.1Very high98.2Very high97 Ų9745.1 Ų45.145%0.45323%0.234SC..  trans-74.6141168.9-64.7178.5100.900111.3H8 L207H8-E205 IonicContact CE1-OE2 2.9Å; H8-E205 PolarHBondContact CE1-OE2 3.18Å; H8-E205 PolarHBondContact ND1-N 3.15Å; H8-E205 VanDerWaalsContact ND1-N 3.17Å; H8-E205 IonicContact ND1-OE2 3.11Å; E205-L207 VanDerWaalsContact C-N 3.27Å; E205-L207 HydrophobicContact CB-CD1 4.19Å; E205-L207 HydrophobicContact CB-CD2 4.43Å; E205-L207 HydrophobicContact CB-CG 3.86Å; E205-L207 PolarHBondContact O-N 3.48Å
206A98.2Very high98.1Very high33 Ų3343.2 Ų43.227%0.27323%0.226SC..  trans-84.263.3-179.700000112.5G31 R199G31-A206 CarbonylContact O-C 3.13Å; G31-A206 WeakPolarHBondContact O-CA 3.33Å; R199-A206 VanDerWaalsContact CZ-CB 3.47Å
207L98Very high98Very high26 Ų2641.3 Ų41.314%0.13622%0.22CC..  trans-90.8-13.7-177.2-58.4179.4000113.5E3 I5 G31 E205 T209 K212E3-L207 HydrophobicContact CG-CD1 3.74Å; I5-L207 HydrophobicContact CB-CB 4.4Å; I5-L207 HydrophobicContact CG2-CB 4.15Å; G31-L207 PolarHBondContact O-N 3.44Å; G31-L207 VanDerWaalsContact O-N 3.14Å; E205-L207 VanDerWaalsContact C-N 3.27Å; E205-L207 HydrophobicContact CB-CD1 4.19Å; E205-L207 HydrophobicContact CB-CD2 4.43Å; E205-L207 HydrophobicContact CB-CG 3.86Å; E205-L207 PolarHBondContact O-N 3.48Å; L207-T209 PolarHBondContact O-N 3.24Å; L207-K212 HydrophobicContact CB-CD 4.39Å; L207-K212 VanDerWaalsContact O-CD 3.24Å; L207-K212 WeakPolarHBondContact O-CD 3.33Å
208W98.1Very high98Very high8 Ų841.7 Ų41.73%0.0322%0.222CC..  trans-76.271.1177.2-163.3-98.3000110.7I5 H6 G31 Y33 I213 L379 E383I5-W208 HydrophobicContact CB-CE3 4.27Å; I5-W208 HydrophobicContact CD1-CE3 3.75Å; I5-W208 HydrophobicContact CD1-CZ3 3.65Å; I5-W208 HydrophobicContact CG1-CE3 3.9Å; I5-W208 HydrophobicContact CG1-CZ3 3.83Å; H6-W208 AromaticContact CD2-CZ3 3.73Å; H6-W208 AromaticContact CE1-CZ3 3.63Å; H6-W208 AromaticContact NE2-CH2 3.6Å; H6-W208 AromaticContact NE2-CZ3 3.44Å; H6-W208 WeakPolarHBondContact NE2-CZ3 3.48Å; G31-W208 VanDerWaalsContact C-CB 3.42Å; G31-W208 WeakPolarHBondContact O-CA 3.19Å; G31-W208 WeakPolarHBondContact O-CB 3.41Å; G31-W208 PolarHBondContact O-N 3.39Å; Y33-W208 AromaticContact CD2-CD2 3.98Å; Y33-W208 HydrophobicContact CD2-CD2 3.98Å; Y33-W208 AromaticContact CD2-CE2 3.91Å; Y33-W208 AromaticContact CD2-CE3 3.68Å; Y33-W208 HydrophobicContact CD2-CE3 3.68Å; Y33-W208 AromaticContact CD2-CH2 3.27Å; Y33-W208 HydrophobicContact CD2-CH2 3.27Å; Y33-W208 AromaticContact CD2-CZ2 3.58Å; Y33-W208 HydrophobicContact CD2-CZ2 3.58Å; Y33-W208 AromaticContact CD2-CZ3 3.32Å; Y33-W208 HydrophobicContact CD2-CZ3 3.32Å; Y33-W208 AromaticContact CE2-CH2 3.56Å; Y33-W208 HydrophobicContact CE2-CH2 3.56Å; Y33-W208 AromaticContact CE2-CZ2 3.96Å; Y33-W208 HydrophobicContact CE2-CZ2 3.96Å; Y33-W208 AromaticContact CE2-CZ3 3.98Å; Y33-W208 HydrophobicContact CE2-CZ3 3.98Å; Y33-W208 HydrophobicContact CG-CE3 4.01Å; Y33-W208 HydrophobicContact CG-CH2 4.28Å; Y33-W208 AromaticContact CG-CZ3 3.88Å; Y33-W208 HydrophobicContact CG-CZ3 3.88Å; W208-I213 HydrophobicContact CD2-CD1 4.01Å; W208-I213 HydrophobicContact CD2-CG1 4Å; W208-I213 HydrophobicContact CE3-CG1 4.38Å; W208-I213 HydrophobicContact CG-CD1 4.05Å; W208-I213 HydrophobicContact CG-CG1 4.39Å; W208-I213 HydrophobicContact CZ2-CD1 4.22Å; W208-I213 HydrophobicContact CZ2-CG1 4.21Å; W208-L379 HydrophobicContact CZ2-CD2 3.7Å; W208-E383 PolarHBondContact NE1-OE1 2.97Å
209T97.5Very high97.9Very high48 Ų4844 Ų4429%0.29424%0.241SC..  trans-113.7150.3-177.658.70000110.1L207 A211 K212 I213L207-T209 PolarHBondContact O-N 3.24Å; T209-A211 VanDerWaalsContact C-N 3.31Å; T209-A211 PolarHBondContact O-N 2.92Å; T209-K212 PolarHBondContact O-N 3.22Å; T209-K212 VanDerWaalsContact O-N 3.08Å; T209-K212 WeakPolarHBondContact OG1-CG 3.3Å; T209-I213 VanDerWaalsContact O-CG1 3.29Å; T209-I213 WeakPolarHBondContact O-CG1 3.12Å; T209-I213 PolarHBondContact O-N 3.48Å
210P97.3Very high97.8Very high40 Ų4043.8 Ų43.826%0.2624%0.24SC..Hα-helixtrans-49.4-46.8-176.9-32.538000114.4K212 I213 I214 K386 I387 E390P210-K212 PolarHBondContact O-N 2.92Å; P210-I213 PolarHBondContact O-N 3.49Å; P210-I214 VanDerWaalsContact O-CG1 3.28Å; P210-I214 WeakPolarHBondContact O-CG1 3.26Å; P210-I214 PolarHBondContact O-N 3.05Å; P210-K386 HydrophobicContact CG-CB 4.03Å; P210-I387 HydrophobicContact CB-CG2 3.97Å; P210-E390 HydrophobicContact CB-CG 3.87Å
211A96.9Very high97.8Very high50 Ų5039.7 Ų39.741%0.41322%0.218SC..Hα-helixtrans-60.5-46.6179.300000112.6T209 I214 D215T209-A211 VanDerWaalsContact C-N 3.31Å; T209-A211 PolarHBondContact O-N 2.92Å; A211-I214 PolarHBondContact O-N 2.77Å; A211-D215 PolarHBondContact O-N 2.79Å; A211-D215 VanDerWaalsContact O-N 3.13Å
212K97.4Very high97.8Very high74 Ų7445.3 Ų45.332%0.32224%0.238SC..Hα-helixtrans-71.5-33.6-179.6-62.9176.6176.2-75.10112.3E3 I5 L207 T209 P210 I214 D215 D216E3-K212 WeakPolarHBondContact OE2-CE 3.15Å; E3-K212 IonicContact OE2-NZ 3.92Å; E3-K212 PolarHBondContact OE2-NZ 3.05Å; I5-K212 HydrophobicContact CG2-CB 3.71Å; I5-K212 HydrophobicContact CG2-CD 4.09Å; I5-K212 HydrophobicContact CG2-CG 4.46Å; L207-K212 HydrophobicContact CB-CD 4.39Å; L207-K212 VanDerWaalsContact O-CD 3.24Å; L207-K212 WeakPolarHBondContact O-CD 3.33Å; T209-K212 PolarHBondContact O-N 3.22Å; T209-K212 VanDerWaalsContact O-N 3.08Å; T209-K212 WeakPolarHBondContact OG1-CG 3.3Å; P210-K212 PolarHBondContact O-N 2.92Å; K212-I214 VanDerWaalsContact C-N 3.32Å; K212-D215 PolarHBondContact O-N 3.42Å; K212-D216 WeakPolarHBondContact O-CB 3.32Å; K212-D216 PolarHBondContact O-N 3.32Å
213I98Very high97.7Very high7 Ų752.9 Ų52.94%0.03627%0.273CS..Hα-helixtrans-60.6-43.7172.6-68.7164.6000110.4I5 W208 T209 P210 D216 A217 L379 I387I5-I213 HydrophobicContact CD1-CG1 4.1Å; W208-I213 HydrophobicContact CD2-CD1 4.01Å; W208-I213 HydrophobicContact CD2-CG1 4Å; W208-I213 HydrophobicContact CE3-CG1 4.38Å; W208-I213 HydrophobicContact CG-CD1 4.05Å; W208-I213 HydrophobicContact CG-CG1 4.39Å; W208-I213 HydrophobicContact CZ2-CD1 4.22Å; W208-I213 HydrophobicContact CZ2-CG1 4.21Å; T209-I213 VanDerWaalsContact O-CG1 3.29Å; T209-I213 WeakPolarHBondContact O-CG1 3.12Å; T209-I213 PolarHBondContact O-N 3.48Å; P210-I213 PolarHBondContact O-N 3.49Å; I213-D216 PolarHBondContact O-N 3.19Å; I213-A217 VanDerWaalsContact O-CB 3.28Å; I213-A217 WeakPolarHBondContact O-CB 3.47Å; I213-A217 PolarHBondContact O-N 2.96Å; I213-L379 HydrophobicContact CD1-CD2 4.43Å; I213-L379 HydrophobicContact CG2-CD1 4.04Å; I213-L379 HydrophobicContact CG2-CD2 3.9Å; I213-I387 HydrophobicContact CB-CG2 4.45Å; I213-I387 HydrophobicContact CG2-CG2 4.19Å
214I97.9Very high97.7Very high6 Ų650.4 Ų50.43%0.03126%0.261CS..Hα-helixtrans-62.6-46.9177.5-66.6163.5000110.2P210 A211 K212 D216 A217 V218 L246 I387 E390 L391P210-I214 VanDerWaalsContact O-CG1 3.28Å; P210-I214 WeakPolarHBondContact O-CG1 3.26Å; P210-I214 PolarHBondContact O-N 3.05Å; A211-I214 PolarHBondContact O-N 2.77Å; K212-I214 VanDerWaalsContact C-N 3.32Å; I214-D216 PolarHBondContact O-N 3.02Å; I214-A217 PolarHBondContact O-N 3.37Å; I214-V218 HydrophobicContact CG2-CG2 4.31Å; I214-V218 WeakPolarHBondContact O-CB 3.37Å; I214-V218 VanDerWaalsContact O-CG2 3.27Å; I214-V218 WeakPolarHBondContact O-CG2 3.28Å; I214-V218 PolarHBondContact O-N 3.06Å; I214-L246 HydrophobicContact CB-CD2 4.37Å; I214-L246 HydrophobicContact CG1-CD2 4.25Å; I214-L246 HydrophobicContact CG2-CD2 3.9Å; I214-I387 HydrophobicContact CD1-CB 4.08Å; I214-I387 HydrophobicContact CD1-CG2 4.42Å; I214-I387 HydrophobicContact CG1-CB 3.95Å; I214-I387 HydrophobicContact CG1-CG2 4.09Å; I214-E390 HydrophobicContact CD1-CB 3.51Å; I214-E390 HydrophobicContact CD1-CG 4.48Å; I214-L391 HydrophobicContact CD1-CD2 4.23Å; I214-L391 HydrophobicContact CD1-CG 3.97Å; I214-L391 HydrophobicContact CG1-CG 4.43Å; I214-L391 HydrophobicContact CG2-CD2 3.94Å
215D97.1Very high97.6Very high91 Ų9150.4 Ų50.449%0.48726%0.261SS..Hα-helixtrans-64.6-39.9-178.9-70.8-15.4000112.1A211 K212 A219 R249A211-D215 PolarHBondContact O-N 2.79Å; A211-D215 VanDerWaalsContact O-N 3.13Å; K212-D215 PolarHBondContact O-N 3.42Å; D215-A219 WeakPolarHBondContact O-CB 3.42Å; D215-A219 PolarHBondContact O-N 3.09Å; D215-R249 IonicContact OD1-CZ 2.65Å; D215-R249 IonicContact OD1-NH1 3.77Å; D215-R249 PolarHBondContact OD1-NH1 2.92Å; D215-R249 IonicContact OD1-NH2 3.75Å
216D97.4Very high97.5Very high39 Ų3947.7 Ų47.721%0.20926%0.259CS..Hα-helixtrans-61.8-49.9172.3173.280.7000112.1I5 H6 K212 I213 I214 V218 A219 R220I5-D216 HydrophobicContact CD1-CB 3.63Å; I5-D216 HydrophobicContact CG1-CB 4.26Å; H6-D216 IonicContact CE1-OD1 2.77Å; H6-D216 IonicContact CE1-OD2 3.75Å; H6-D216 PolarHBondContact CE1-OD2 3.44Å; K212-D216 WeakPolarHBondContact O-CB 3.32Å; K212-D216 PolarHBondContact O-N 3.32Å; I213-D216 PolarHBondContact O-N 3.19Å; I214-D216 PolarHBondContact O-N 3.02Å; D216-V218 VanDerWaalsContact C-N 3.33Å; D216-V218 PolarHBondContact O-N 2.97Å; D216-A219 PolarHBondContact O-N 2.95Å; D216-A219 VanDerWaalsContact O-N 3.17Å; D216-R220 WeakPolarHBondContact O-CG 3.4Å; D216-R220 PolarHBondContact O-N 3.09Å; D216-R220 IonicContact OD1-NE 3.25Å; D216-R220 IonicContact OD2-CZ 2.75Å; D216-R220 IonicContact OD2-NE 3.27Å; D216-R220 PolarHBondContact OD2-NE 3.37Å; D216-R220 IonicContact OD2-NH2 3.98Å; D216-R220 PolarHBondContact OD2-NH2 3.38Å
217A96.9Very high97.5Very high5 Ų553.2 Ų53.24%0.04128%0.284CS..Hα-helixtrans-60.7-42.7179.100000111.5I213 I214 A219 R220 I221 L246I213-A217 VanDerWaalsContact O-CB 3.28Å; I213-A217 WeakPolarHBondContact O-CB 3.47Å; I213-A217 PolarHBondContact O-N 2.96Å; I214-A217 PolarHBondContact O-N 3.37Å; A217-A219 VanDerWaalsContact C-N 3.35Å; A217-A219 PolarHBondContact O-N 2.87Å; A217-R220 PolarHBondContact O-N 3.26Å; A217-I221 WeakPolarHBondContact O-CB 3.28Å; A217-I221 WeakPolarHBondContact O-CD1 3.49Å; A217-I221 WeakPolarHBondContact O-CG1 3.49Å; A217-I221 PolarHBondContact O-N 2.85Å; A217-L246 HydrophobicContact CB-CD1 4.37Å; A217-L246 HydrophobicContact CB-CD2 4.35Å
218V97.8Very high97.5Very high7 Ų755.1 Ų55.14%0.04229%0.294CS..Hα-helixtrans-61.6-42.4175.9164.80000111.4I214 D216 R222 R249 A250I214-V218 HydrophobicContact CG2-CG2 4.31Å; I214-V218 WeakPolarHBondContact O-CB 3.37Å; I214-V218 VanDerWaalsContact O-CG2 3.27Å; I214-V218 WeakPolarHBondContact O-CG2 3.28Å; I214-V218 PolarHBondContact O-N 3.06Å; D216-V218 VanDerWaalsContact C-N 3.33Å; D216-V218 PolarHBondContact O-N 2.97Å; V218-R222 WeakPolarHBondContact O-CB 3.49Å; V218-R222 WeakPolarHBondContact O-CG 3.33Å; V218-R222 PolarHBondContact O-N 3.5Å; V218-R249 HydrophobicContact CG2-CB 4.3Å; V218-R249 HydrophobicContact CG2-CG 4.22Å; V218-A250 HydrophobicContact CB-CB 4.44Å; V218-A250 HydrophobicContact CG1-CB 4.12Å; V218-A250 HydrophobicContact CG2-CB 4.29Å
219A97.4Very high97.4Very high48 Ų4858 Ų5840%0.39731%0.307SS..Hα-helixtrans-62.8-47.1177.100000111.5D215 D216 A217 R222 E223D215-A219 WeakPolarHBondContact O-CB 3.42Å; D215-A219 PolarHBondContact O-N 3.09Å; D216-A219 PolarHBondContact O-N 2.95Å; D216-A219 VanDerWaalsContact O-N 3.17Å; A217-A219 VanDerWaalsContact C-N 3.35Å; A217-A219 PolarHBondContact O-N 2.87Å; A219-R222 PolarHBondContact O-N 3.12Å; A219-E223 PolarHBondContact O-N 2.96Å
220R96.8Very high97.4Very high78 Ų7855.7 Ų55.729%0.29429%0.293SS..Hα-helixtrans-62.5-42.9177.7-70.7-169-73.9172.6-7.3112.8D216 A217 R222 E223 Q224 E378D216-R220 WeakPolarHBondContact O-CG 3.4Å; D216-R220 PolarHBondContact O-N 3.09Å; D216-R220 IonicContact OD1-NE 3.25Å; D216-R220 IonicContact OD2-CZ 2.75Å; D216-R220 IonicContact OD2-NE 3.27Å; D216-R220 PolarHBondContact OD2-NE 3.37Å; D216-R220 IonicContact OD2-NH2 3.98Å; D216-R220 PolarHBondContact OD2-NH2 3.38Å; A217-R220 PolarHBondContact O-N 3.26Å; R220-R222 PolarHBondContact O-N 2.87Å; R220-E223 PolarHBondContact O-N 2.84Å; R220-Q224 VanDerWaalsContact O-CB 3.3Å; R220-Q224 WeakPolarHBondContact O-CB 3.32Å; R220-Q224 PolarHBondContact O-N 3.3Å; R220-E378 IonicContact CZ-OE1 2.84Å; R220-E378 IonicContact CZ-OE2 3.85Å; R220-E378 IonicContact NH1-OE1 3.94Å; R220-E378 PolarHBondContact NH1-OE1 2.9Å; R220-E378 IonicContact NH1-OE2 2.75Å; R220-E378 PolarHBondContact NH1-OE2 2.86Å; R220-E378 VanDerWaalsContact NH1-OE2 3.09Å; R220-E378 IonicContact NH2-OE1 2.62Å; R220-E378 IonicContact NH2-OE2 3.79Å; R220-E378 PolarHBondContact NH2-OE2 2.82Å
221I98.1Very high97.4Very high5 Ų553.8 Ų53.83%0.02628%0.28CS..Hα-helixtrans-59.7-48175.8-70.3159.7000110.3A217 E223 Q224 V225 L246 L247 A250 I251 V373 P375A217-I221 WeakPolarHBondContact O-CB 3.28Å; A217-I221 WeakPolarHBondContact O-CD1 3.49Å; A217-I221 WeakPolarHBondContact O-CG1 3.49Å; A217-I221 PolarHBondContact O-N 2.85Å; I221-E223 VanDerWaalsContact C-N 3.34Å; I221-E223 PolarHBondContact O-N 2.91Å; I221-Q224 PolarHBondContact O-N 3.1Å; I221-V225 HydrophobicContact CG2-CG2 4.22Å; I221-V225 VanDerWaalsContact O-CB 3.27Å; I221-V225 WeakPolarHBondContact O-CB 3.34Å; I221-V225 WeakPolarHBondContact O-CG2 3.35Å; I221-V225 PolarHBondContact O-N 2.85Å; I221-L246 HydrophobicContact CD1-CB 4.29Å; I221-L247 HydrophobicContact CD1-CD2 4.08Å; I221-L247 HydrophobicContact CG1-CD2 4.31Å; I221-L247 HydrophobicContact CG2-CD2 3.87Å; I221-A250 HydrophobicContact CB-CB 3.89Å; I221-A250 HydrophobicContact CD1-CB 4.21Å; I221-A250 HydrophobicContact CG2-CB 3.54Å; I221-I251 HydrophobicContact CG2-CG2 4.09Å; I221-V373 HydrophobicContact CG1-CG1 4.44Å; I221-P375 HydrophobicContact CD1-CB 3.99Å; I221-P375 HydrophobicContact CD1-CG 3.94Å; I221-P375 HydrophobicContact CG1-CB 4.44Å; I221-P375 HydrophobicContact CG1-CG 4.23Å
222R98.1Very high97.3Very high133 Ų13351.5 Ų51.550%0.50226%0.261SS..Hα-helixtrans-63.1-40.2-179.4-75.7175176.1158.44.4112.4V218 A219 R220 G226 R249 A250V218-R222 WeakPolarHBondContact O-CB 3.49Å; V218-R222 WeakPolarHBondContact O-CG 3.33Å; V218-R222 PolarHBondContact O-N 3.5Å; A219-R222 PolarHBondContact O-N 3.12Å; R220-R222 PolarHBondContact O-N 2.87Å; R222-G226 WeakPolarHBondContact O-CA 3.33Å; R222-G226 PolarHBondContact O-N 3.01Å; R222-R249 PolarHBondContact NH2-O 2.92Å; R222-R249 VanDerWaalsContact NH2-O 3.15Å; R222-A250 HydrophobicContact CG-CB 4.31Å; R222-A250 PolarHBondContact NE-O 3.27Å; R222-A250 PolarHBondContact NH2-O 3.4Å
223E97.8Very high97.1Very high170 Ų17048.8 Ų48.879%0.79425%0.254SS*.Hα-helixtrans-66.8-44.4176.9-177.4176.5-135.600111.9A219 R220 I221A219-E223 PolarHBondContact O-N 2.96Å; R220-E223 PolarHBondContact O-N 2.84Å; I221-E223 VanDerWaalsContact C-N 3.34Å; I221-E223 PolarHBondContact O-N 2.91Å
224Q97.5Very high96.9Very high90 Ų9048.5 Ų48.542%0.42125%0.252SS..Hα-helixtrans-69.9-43.8-178.3-177-177.6-10.400112.6R220 I221 W331 L372R220-Q224 VanDerWaalsContact O-CB 3.3Å; R220-Q224 WeakPolarHBondContact O-CB 3.32Å; R220-Q224 PolarHBondContact O-N 3.3Å; I221-Q224 PolarHBondContact O-N 3.1Å; Q224-W331 HydrophobicContact CG-CH2 3.89Å; Q224-W331 HydrophobicContact CG-CZ2 4.39Å; Q224-W331 HydrophobicContact CG-CZ3 4.14Å; Q224-W331 VanDerWaalsContact O-CZ2 3.31Å; Q224-W331 WeakPolarHBondContact O-CZ2 3.29Å; Q224-L372 PolarHBondContact NE2-O 3.36Å
225V97.6Very high96.3Very high4 Ų451.1 Ų51.12%0.02427%0.272CS..Hα-helixtrans-91.5-32.4-171.2177.30000112.2I221 D227 D228 V230 I251 W331 V373I221-V225 HydrophobicContact CG2-CG2 4.22Å; I221-V225 VanDerWaalsContact O-CB 3.27Å; I221-V225 WeakPolarHBondContact O-CB 3.34Å; I221-V225 WeakPolarHBondContact O-CG2 3.35Å; I221-V225 PolarHBondContact O-N 2.85Å; V225-D227 PolarHBondContact O-N 2.93Å; V225-D228 HydrophobicContact CG1-CB 4.07Å; V225-D228 VanDerWaalsContact O-CB 3.29Å; V225-D228 WeakPolarHBondContact O-CB 3.4Å; V225-D228 PolarHBondContact O-N 3.17Å; V225-D228 VanDerWaalsContact O-N 3.12Å; V225-V230 HydrophobicContact CB-CG2 4.47Å; V225-V230 HydrophobicContact CG1-CG2 3.5Å; V225-V230 VanDerWaalsContact CG1-CG2 3.5Å; V225-V230 HydrophobicContact CG2-CG2 4.09Å; V225-I251 HydrophobicContact CG1-CD1 4.42Å; V225-I251 HydrophobicContact CG1-CG2 4.45Å; V225-W331 HydrophobicContact CG2-CD2 4.49Å; V225-W331 HydrophobicContact CG2-CG 4.41Å; V225-V373 HydrophobicContact CG2-CG2 3.79Å
226G96.9Very high95.6Very high39 Ų3946.8 Ų46.840%0.40225%0.248SC..THydrogen-bonded Turntrans57-125.2-172.300000111.9R222R222-G226 WeakPolarHBondContact O-CA 3.33Å; R222-G226 PolarHBondContact O-N 3.01Å
227D96.9Very high95.2Very high149 Ų14946.2 Ų46.280%0.79725%0.252SS*.THydrogen-bonded Turntrans-96.44.6179.5-66-56000113.5V225 N254V225-D227 PolarHBondContact O-N 2.93Å; D227-N254 PolarHBondContact O-ND2 3.16Å
228D97.5Very high94.9Very high67 Ų6746.5 Ų46.536%0.35825%0.253SS..  trans-67.2158.3-178-70.4-13000112.5V225 K330 W331V225-D228 HydrophobicContact CG1-CB 4.07Å; V225-D228 VanDerWaalsContact O-CB 3.29Å; V225-D228 WeakPolarHBondContact O-CB 3.4Å; V225-D228 PolarHBondContact O-N 3.17Å; V225-D228 VanDerWaalsContact O-N 3.12Å; D228-K330 HydrophobicContact CB-CB 4.06Å; D228-K330 HydrophobicContact CB-CG 4.25Å; D228-W331 VanDerWaalsContact CB-CD1 3.49Å; D228-W331 PolarHBondContact OD2-NE1 2.86Å
229K97.3Very high94.6Very high67 Ų6747.8 Ų47.829%0.29126%0.26SS..EExtended strand (participates in β ladder)trans-84.8138.1172.9-63.6-61.1-167.7179.90111.7K253 N254 V329 K330 W331K229-K253 PolarHBondContact NZ-O 3.37Å; K229-N254 WeakPolarHBondContact CA-O 3.35Å; K229-N254 HydrophobicContact CD-CB 3.96Å; K229-N254 PolarHBondContact NZ-OD1 2.98Å; K229-V329 HydrophobicContact CB-CG2 4.4Å; K229-K330 PolarHBondContact O-N 2.81Å; K229-K330 VanDerWaalsContact O-N 3.09Å; K229-W331 PolarHBondContact O-N 2.73Å
230V97.3Very high94.4Very high0 Ų046 Ų460%024%0.244CC..EExtended strand (participates in β ladder)trans-118.9134.7179.1-174.50000109.6V225 L247 I251 N254 L255 T256 W331 A333V225-V230 HydrophobicContact CB-CG2 4.47Å; V225-V230 HydrophobicContact CG1-CG2 3.5Å; V225-V230 VanDerWaalsContact CG1-CG2 3.5Å; V225-V230 HydrophobicContact CG2-CG2 4.09Å; V230-L247 HydrophobicContact CG1-CD1 4.31Å; V230-I251 HydrophobicContact CB-CD1 3.8Å; V230-I251 HydrophobicContact CG2-CD1 3.33Å; V230-N254 PolarHBondContact N-O 3.47Å; V230-L255 HydrophobicContact CB-CD1 4.47Å; V230-L255 HydrophobicContact CG1-CD1 4.4Å; V230-L255 WeakPolarHBondContact O-CA 3.35Å; V230-T256 PolarHBondContact O-N 3.15Å; V230-W331 WeakPolarHBondContact CA-O 3.26Å; V230-W331 HydrophobicContact CB-CB 4.31Å; V230-W331 HydrophobicContact CG1-CB 4.18Å; V230-W331 HydrophobicContact CG2-CB 3.91Å; V230-W331 HydrophobicContact CG2-CG 4.4Å; V230-A333 HydrophobicContact CG1-CB 3.74Å
231I96.3Very high94.3Very high0 Ų042.3 Ų42.30%023%0.23CC..EExtended strand (participates in β ladder)trans-107.2147.1168.965.1168.7000111.4T256 F319 A323 L326 V329 W331 L332 A333 M370I231-T256 VanDerWaalsContact CA-O 3.3Å; I231-T256 WeakPolarHBondContact CA-O 3.34Å; I231-F319 HydrophobicContact CD1-CE1 3.86Å; I231-F319 HydrophobicContact CD1-CZ 3.75Å; I231-F319 HydrophobicContact CG1-CZ 4.27Å; I231-A323 HydrophobicContact CD1-CB 3.6Å; I231-L326 HydrophobicContact CG2-CD1 3.52Å; I231-V329 HydrophobicContact CB-CG1 4.12Å; I231-V329 HydrophobicContact CD1-CG1 4.22Å; I231-V329 HydrophobicContact CG1-CG1 3.82Å; I231-V329 HydrophobicContact CG2-CB 4.13Å; I231-V329 HydrophobicContact CG2-CG1 3.43Å; I231-V329 VanDerWaalsContact CG2-CG1 3.43Å; I231-V329 HydrophobicContact CG2-CG2 3.54Å; I231-W331 PolarHBondContact N-O 2.97Å; I231-L332 HydrophobicContact CD1-CD1 4.12Å; I231-L332 HydrophobicContact CG1-CD1 3.85Å; I231-A333 PolarHBondContact O-N 3.12Å; I231-M370 HydrophobicContact CD1-CE 3.9Å; I231-M370 HydrophobicContact CD1-SD 3.9Å; I231-M370 HydrophobicContact CG1-SD 4.14Å
232L95.5Very high94.2Very high3 Ų342.1 Ų42.12%0.01623%0.229CC..EExtended strand (participates in β ladder)trans-137.2132176.7174.364.2000110.5L234 T243 A244 L247 L255 T256 C257 V258 A333L232-L234 PolarHBondContact O-N 2.9Å; L232-T243 HydrophobicContact CD1-CG2 3.98Å; L232-T243 HydrophobicContact CD2-CG2 4.08Å; L232-A244 VanDerWaalsContact CD2-CA 3.47Å; L232-A244 HydrophobicContact CD2-CB 3.53Å; L232-L247 HydrophobicContact CD2-CD1 4.31Å; L232-L255 HydrophobicContact CB-CD1 4.07Å; L232-T256 PolarHBondContact N-O 3.26Å; L232-C257 CarbonylContact O-C 3.55Å; L232-C257 WeakPolarHBondContact O-CA 3.4Å; L232-V258 PolarHBondContact O-N 2.58Å; L232-A333 HydrophobicContact CB-CB 4.16Å; L232-A333 HydrophobicContact CD1-CB 3.91Å; L232-A333 WeakPolarHBondContact CD1-O 3.35Å
233G93.5Very high94.2Very high16 Ų1635.8 Ų35.817%0.16521%0.205CC..EExtended strand (participates in β ladder)trans-75.1108.2165.500000110.6
234L92.8Very high94.2Very high1 Ų127.7 Ų27.71%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-87.3126.9176.2-16469000108.7L232 A244 C257 V258 F259 V273 F277 I285L232-L234 PolarHBondContact O-N 2.9Å; L234-A244 HydrophobicContact CD1-CB 3.83Å; L234-C257 HydrophobicContact CB-CB 4.25Å; L234-C257 HydrophobicContact CD2-CB 4.41Å; L234-V258 PolarHBondContact N-O 2.79Å; L234-F259 HydrophobicContact CB-CB 4.38Å; L234-F259 WeakPolarHBondContact O-CD2 3.47Å; L234-V273 HydrophobicContact CD2-CG1 3.87Å; L234-V273 HydrophobicContact CG-CG1 4.46Å; L234-F277 HydrophobicContact CD1-CE2 4.23Å; L234-F277 HydrophobicContact CD1-CZ 4.5Å; L234-F277 HydrophobicContact CD2-CB 4.39Å; L234-F277 HydrophobicContact CD2-CD2 3.71Å; L234-F277 HydrophobicContact CD2-CE2 4.16Å; L234-F277 HydrophobicContact CD2-CG 4.17Å; L234-I285 HydrophobicContact CD2-CD1 4.31Å
235S86.6Confident94.2Very high62 Ų6224 Ų2443%0.43415%0.15SC..  trans-116.2-4.5-178.163.50000113.9G237 S240S235-G237 PolarHBondContact O-N 2.93Å; S235-G237 PolarHBondContact OG-N 2.8Å; S235-S240 PolarHBondContact N-OG 3.36Å; S235-S240 PolarHBondContact OG-OG 3.39Å
236G82.4Confident94.2Very high0 Ų023.8 Ų23.80%015%0.149CC..SBendtrans72.2-5.4-168.500000114.2R400G236-R400 PolarHBondContact O-NH1 3.39Å
237G87.6Confident94.2Very high27 Ų2722 Ų2228%0.27813%0.13SC..SBendtrans-69159.8170.200000112S235 D239 S240 S241S235-G237 PolarHBondContact O-N 2.93Å; S235-G237 PolarHBondContact OG-N 2.8Å; G237-D239 PolarHBondContact O-N 2.96Å; G237-S240 PolarHBondContact O-OG 2.94Å; G237-S241 WeakPolarHBondContact O-CB 3.47Å; G237-S241 PolarHBondContact O-N 3.31Å; G237-S241 VanDerWaalsContact O-N 3.14Å; G237-S241 PolarHBondContact O-OG 3.23Å
238V90.9Very high94.3Very high10 Ų1017.5 Ų17.56%0.06110%0.104CC..Hα-helixtrans-57.1-47.9-176.4179.20000111.9S241 V242 V384 R385 L398 R400V238-S241 WeakPolarHBondContact O-CB 3.2Å; V238-S241 PolarHBondContact O-N 3.5Å; V238-V242 HydrophobicContact CG1-CG2 4.35Å; V238-V242 WeakPolarHBondContact O-CG2 3.21Å; V238-V242 PolarHBondContact O-N 2.9Å; V238-V384 HydrophobicContact CG1-CG1 4.13Å; V238-R385 HydrophobicContact CG1-CG 4.16Å; V238-L398 HydrophobicContact CG1-CD2 4.11Å; V238-L398 WeakPolarHBondContact CG2-O 3.31Å; V238-R400 HydrophobicContact CG2-CG 4.4Å
239D92.8Very high94.3Very high35 Ų3520.2 Ų20.219%0.18711%0.11CC..Hα-helixtrans-69.1-49.2-171.3-51.8-32.6000112.1G237 S241 V242 T243 G335 L376 K381G237-D239 PolarHBondContact O-N 2.96Å; D239-S241 PolarHBondContact O-N 3.07Å; D239-V242 PolarHBondContact O-N 2.8Å; D239-T243 WeakPolarHBondContact O-CB 3.29Å; D239-T243 PolarHBondContact O-N 2.72Å; D239-T243 PolarHBondContact O-OG1 3.11Å; D239-T243 VanDerWaalsContact O-OG1 3.1Å; D239-G335 WeakPolarHBondContact CB-O 3.46Å; D239-L376 HydrophobicContact CB-CD1 4.25Å; D239-L376 WeakPolarHBondContact O-CD1 3.29Å; D239-K381 WeakPolarHBondContact OD1-CD 3.33Å; D239-K381 WeakPolarHBondContact OD1-CE 3.3Å; D239-K381 IonicContact OD1-NZ 2.8Å; D239-K381 PolarHBondContact OD1-NZ 3.18Å; D239-K381 IonicContact OD2-NZ 2.86Å; D239-K381 PolarHBondContact OD2-NZ 3.49Å
240S92.6Very high94.3Very high11 Ų1117.4 Ų17.48%0.07710%0.099CC..Hα-helixtrans-60.2-35.6177.157.70000111.8S235 G237 A244S235-S240 PolarHBondContact N-OG 3.36Å; S235-S240 PolarHBondContact OG-OG 3.39Å; G237-S240 PolarHBondContact O-OG 2.94Å; S240-A244 WeakPolarHBondContact O-CB 3.26Å; S240-A244 PolarHBondContact O-N 2.86Å
241S94.3Very high94.3Very high0 Ų018.4 Ų18.40%010%0.104CC..Hα-helixtrans-66.3-47.9176.8-65.40000113G237 V238 D239 A244 M245 F277 M397G237-S241 WeakPolarHBondContact O-CB 3.47Å; G237-S241 PolarHBondContact O-N 3.31Å; G237-S241 VanDerWaalsContact O-N 3.14Å; G237-S241 PolarHBondContact O-OG 3.23Å; V238-S241 WeakPolarHBondContact O-CB 3.2Å; V238-S241 PolarHBondContact O-N 3.5Å; D239-S241 PolarHBondContact O-N 3.07Å; S241-A244 WeakPolarHBondContact O-CB 3.47Å; S241-A244 PolarHBondContact O-N 2.77Å; S241-M245 WeakPolarHBondContact O-CG 3.11Å; S241-M245 PolarHBondContact O-N 2.87Å; S241-M245 VanDerWaalsContact O-N 3.1Å; S241-F277 WeakPolarHBondContact OG-CZ 3.46Å; S241-M397 WeakPolarHBondContact OG-CE 3.38Å
242V96.9Very high94.3Very high0 Ų019.6 Ų19.60%012%0.116CC..Hα-helixtrans-66.6-40.5176.7178.20000110.9V238 D239 A244 M245 L246 L376 V384 I387 L391 L393 L398V238-V242 HydrophobicContact CG1-CG2 4.35Å; V238-V242 WeakPolarHBondContact O-CG2 3.21Å; V238-V242 PolarHBondContact O-N 2.9Å; D239-V242 PolarHBondContact O-N 2.8Å; V242-A244 VanDerWaalsContact C-N 3.33Å; V242-A244 PolarHBondContact O-N 3.37Å; V242-M245 PolarHBondContact O-N 2.87Å; V242-L246 PolarHBondContact O-N 2.95Å; V242-L376 HydrophobicContact CB-CD1 4.38Å; V242-L376 HydrophobicContact CG1-CD1 4.49Å; V242-L376 HydrophobicContact CG1-CD2 4.05Å; V242-V384 HydrophobicContact CB-CG1 3.84Å; V242-V384 HydrophobicContact CG1-CG1 4.06Å; V242-V384 HydrophobicContact CG2-CG1 3.69Å; V242-I387 HydrophobicContact CG1-CD1 3.53Å; V242-I387 HydrophobicContact CG1-CG1 3.71Å; V242-L391 HydrophobicContact CG1-CD1 4.07Å; V242-L393 HydrophobicContact CG2-CD1 3.92Å; V242-L398 HydrophobicContact CG2-CD2 3.91Å
243T97.5Very high94.4Very high0 Ų027.9 Ų27.90%015%0.152CC..Hα-helixtrans-58.2-44.9173-66.30000111.6L232 D239 M245 L246 L247 A333 G335 P375 L376L232-T243 HydrophobicContact CD1-CG2 3.98Å; L232-T243 HydrophobicContact CD2-CG2 4.08Å; D239-T243 WeakPolarHBondContact O-CB 3.29Å; D239-T243 PolarHBondContact O-N 2.72Å; D239-T243 PolarHBondContact O-OG1 3.11Å; D239-T243 VanDerWaalsContact O-OG1 3.1Å; T243-M245 VanDerWaalsContact C-N 3.33Å; T243-M245 PolarHBondContact O-N 3.37Å; T243-L246 PolarHBondContact O-N 3Å; T243-L247 HydrophobicContact CG2-CD1 3.68Å; T243-L247 HydrophobicContact CG2-CG 4.31Å; T243-L247 WeakPolarHBondContact O-CB 3.38Å; T243-L247 VanDerWaalsContact O-CG 3.28Å; T243-L247 WeakPolarHBondContact O-CG 3.25Å; T243-L247 PolarHBondContact O-N 2.75Å; T243-A333 HydrophobicContact CG2-CB 4.33Å; T243-G335 WeakPolarHBondContact OG1-CA 3.15Å; T243-P375 HydrophobicContact CG2-CG 4.25Å; T243-L376 WeakPolarHBondContact OG1-CD1 3.49Å; T243-L376 WeakPolarHBondContact OG1-CG 3.42Å
244A97.2Very high94.6Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-58.5-45.2177.400000111.6L232 L234 S240 S241 V242 L247 H248 L255 L283L232-A244 VanDerWaalsContact CD2-CA 3.47Å; L232-A244 HydrophobicContact CD2-CB 3.53Å; L234-A244 HydrophobicContact CD1-CB 3.83Å; S240-A244 WeakPolarHBondContact O-CB 3.26Å; S240-A244 PolarHBondContact O-N 2.86Å; S241-A244 WeakPolarHBondContact O-CB 3.47Å; S241-A244 PolarHBondContact O-N 2.77Å; V242-A244 VanDerWaalsContact C-N 3.33Å; V242-A244 PolarHBondContact O-N 3.37Å; A244-L247 PolarHBondContact O-N 2.87Å; A244-H248 VanDerWaalsContact O-CB 3.24Å; A244-H248 WeakPolarHBondContact O-CB 3.49Å; A244-H248 PolarHBondContact O-N 2.7Å; A244-L255 WeakPolarHBondContact O-CD2 3.33Å; A244-L283 HydrophobicContact CB-CD2 3.81Å
245M97.5Very high94.8Very high12 Ų1228 Ų286%0.05915%0.149CC..Hα-helixtrans-67.8-39.9179.2-68-53.7-66.200113.2S241 V242 T243 H248 R249 F277 F281 L283 L391 L393S241-M245 WeakPolarHBondContact O-CG 3.11Å; S241-M245 PolarHBondContact O-N 2.87Å; S241-M245 VanDerWaalsContact O-N 3.1Å; V242-M245 PolarHBondContact O-N 2.87Å; T243-M245 VanDerWaalsContact C-N 3.33Å; T243-M245 PolarHBondContact O-N 3.37Å; M245-H248 PolarHBondContact O-N 3.16Å; M245-R249 WeakPolarHBondContact O-CB 3.33Å; M245-R249 PolarHBondContact O-N 3.23Å; M245-F277 HydrophobicContact CG-CE1 4.14Å; M245-F277 HydrophobicContact SD-CD1 4.14Å; M245-F277 HydrophobicContact SD-CE1 4.01Å; M245-F281 HydrophobicContact CE-CB 4.34Å; M245-F281 HydrophobicContact CE-CD1 3.48Å; M245-F281 VanDerWaalsContact CE-CD1 3.48Å; M245-F281 HydrophobicContact CE-CD2 4.24Å; M245-F281 HydrophobicContact CE-CE1 3.72Å; M245-F281 HydrophobicContact CE-CE2 4.46Å; M245-F281 HydrophobicContact CE-CG 3.77Å; M245-F281 HydrophobicContact CE-CZ 4.22Å; M245-F281 HydrophobicContact SD-CB 4.25Å; M245-F281 HydrophobicContact SD-CD1 4.25Å; M245-F281 HydrophobicContact SD-CD2 3.98Å; M245-F281 HydrophobicContact SD-CE2 4.42Å; M245-F281 HydrophobicContact SD-CG 3.91Å; M245-L283 HydrophobicContact SD-CD1 4.11Å; M245-L391 HydrophobicContact CB-CB 4.13Å; M245-L391 HydrophobicContact CB-CD1 3.93Å; M245-L391 HydrophobicContact CB-CG 4.44Å; M245-L393 HydrophobicContact CG-CD1 3.9Å; M245-L393 HydrophobicContact CG-CD2 3.74Å; M245-L393 HydrophobicContact CG-CG 3.86Å; M245-L393 HydrophobicContact SD-CD2 4.31Å
246L97.8Very high95.4Very high1 Ų125.8 Ų25.81%0.00513%0.133CC..Hα-helixtrans-62-48.3174.6-81.5178.8000111.8I214 A217 I221 V242 T243 R249 A250 P375 L376 I387 L391I214-L246 HydrophobicContact CB-CD2 4.37Å; I214-L246 HydrophobicContact CG1-CD2 4.25Å; I214-L246 HydrophobicContact CG2-CD2 3.9Å; A217-L246 HydrophobicContact CB-CD1 4.37Å; A217-L246 HydrophobicContact CB-CD2 4.35Å; I221-L246 HydrophobicContact CD1-CB 4.29Å; V242-L246 PolarHBondContact O-N 2.95Å; T243-L246 PolarHBondContact O-N 3Å; L246-R249 PolarHBondContact O-N 2.86Å; L246-A250 WeakPolarHBondContact O-CB 3.41Å; L246-A250 PolarHBondContact O-N 3.29Å; L246-P375 HydrophobicContact CD1-CB 4.02Å; L246-L376 HydrophobicContact CD1-CD2 3.53Å; L246-I387 HydrophobicContact CD1-CD1 4.1Å; L246-L391 HydrophobicContact CD2-CD1 3.88Å; L246-L391 HydrophobicContact CD2-CD2 4.31Å; L246-L391 HydrophobicContact CG-CD1 3.84Å
247L98.2Very high96.1Very high0 Ų025.8 Ų25.80%013%0.133CC..Hα-helixtrans-63.5-43.1178.1-68.7168.7000110.8I221 V230 L232 T243 A244 R249 A250 I251 L255 A333 V373 P375I221-L247 HydrophobicContact CD1-CD2 4.08Å; I221-L247 HydrophobicContact CG1-CD2 4.31Å; I221-L247 HydrophobicContact CG2-CD2 3.87Å; V230-L247 HydrophobicContact CG1-CD1 4.31Å; L232-L247 HydrophobicContact CD2-CD1 4.31Å; T243-L247 HydrophobicContact CG2-CD1 3.68Å; T243-L247 HydrophobicContact CG2-CG 4.31Å; T243-L247 WeakPolarHBondContact O-CB 3.38Å; T243-L247 VanDerWaalsContact O-CG 3.28Å; T243-L247 WeakPolarHBondContact O-CG 3.25Å; T243-L247 PolarHBondContact O-N 2.75Å; A244-L247 PolarHBondContact O-N 2.87Å; L247-R249 VanDerWaalsContact C-N 3.35Å; L247-R249 PolarHBondContact O-N 3.26Å; L247-A250 PolarHBondContact O-N 2.75Å; L247-A250 VanDerWaalsContact O-N 3.09Å; L247-I251 WeakPolarHBondContact O-CG1 3.45Å; L247-I251 PolarHBondContact O-N 2.77Å; L247-L255 HydrophobicContact CB-CD1 4.04Å; L247-L255 HydrophobicContact CB-CD2 3.8Å; L247-L255 HydrophobicContact CB-CG 4.39Å; L247-L255 HydrophobicContact CD1-CD1 3.88Å; L247-A333 HydrophobicContact CD1-CB 3.35Å; L247-V373 HydrophobicContact CD2-CG1 4.07Å; L247-P375 HydrophobicContact CD2-CG 4.28Å
248H97.6Very high96.5Very high55 Ų5524.5 Ų24.526%0.25512%0.12SC..Hα-helixtrans-60-44.8176.9-176.875.6000111.6A244 M245 A250 G252 L255 L283A244-H248 VanDerWaalsContact O-CB 3.24Å; A244-H248 WeakPolarHBondContact O-CB 3.49Å; A244-H248 PolarHBondContact O-N 2.7Å; M245-H248 PolarHBondContact O-N 3.16Å; H248-A250 VanDerWaalsContact C-N 3.26Å; H248-A250 PolarHBondContact O-N 3.08Å; H248-G252 WeakPolarHBondContact O-CA 3.42Å; H248-G252 PolarHBondContact O-N 2.95Å; H248-L255 HydrophobicContact CB-CD2 4.11Å; H248-L283 HydrophobicContact CB-CD1 4.05Å; H248-L283 HydrophobicContact CB-CG 4.2Å
249R97.3Very high96.7Very high124 Ų12424.1 Ų24.147%0.46812%0.117SC..Hα-helixtrans-62.4-33.8175-165.7178-167.5-115.38112.3D215 V218 R222 M245 L246 L247D215-R249 IonicContact OD1-CZ 2.65Å; D215-R249 IonicContact OD1-NH1 3.77Å; D215-R249 PolarHBondContact OD1-NH1 2.92Å; D215-R249 IonicContact OD1-NH2 3.75Å; V218-R249 HydrophobicContact CG2-CB 4.3Å; V218-R249 HydrophobicContact CG2-CG 4.22Å; R222-R249 PolarHBondContact NH2-O 2.92Å; R222-R249 VanDerWaalsContact NH2-O 3.15Å; M245-R249 WeakPolarHBondContact O-CB 3.33Å; M245-R249 PolarHBondContact O-N 3.23Å; L246-R249 PolarHBondContact O-N 2.86Å; L247-R249 VanDerWaalsContact C-N 3.35Å; L247-R249 PolarHBondContact O-N 3.26Å
250A97.8Very high96.8Very high8 Ų822.9 Ų22.97%0.06611%0.111CC..Hα-helixtrans-77.7-53.3-178.500000113.2V218 I221 R222 L246 L247 H248V218-A250 HydrophobicContact CB-CB 4.44Å; V218-A250 HydrophobicContact CG1-CB 4.12Å; V218-A250 HydrophobicContact CG2-CB 4.29Å; I221-A250 HydrophobicContact CB-CB 3.89Å; I221-A250 HydrophobicContact CD1-CB 4.21Å; I221-A250 HydrophobicContact CG2-CB 3.54Å; R222-A250 HydrophobicContact CG-CB 4.31Å; R222-A250 PolarHBondContact NE-O 3.27Å; R222-A250 PolarHBondContact NH2-O 3.4Å; L246-A250 WeakPolarHBondContact O-CB 3.41Å; L246-A250 PolarHBondContact O-N 3.29Å; L247-A250 PolarHBondContact O-N 2.75Å; L247-A250 VanDerWaalsContact O-N 3.09Å; H248-A250 VanDerWaalsContact C-N 3.26Å; H248-A250 PolarHBondContact O-N 3.08Å
251I98Very high97Very high22 Ų2224 Ų2411%0.11312%0.116CC..Hα-helixtrans-124.1-2-166.362.7165.6000114.1I221 V225 V230 L247 K253 N254 L255I221-I251 HydrophobicContact CG2-CG2 4.09Å; V225-I251 HydrophobicContact CG1-CD1 4.42Å; V225-I251 HydrophobicContact CG1-CG2 4.45Å; V230-I251 HydrophobicContact CB-CD1 3.8Å; V230-I251 HydrophobicContact CG2-CD1 3.33Å; L247-I251 WeakPolarHBondContact O-CG1 3.45Å; L247-I251 PolarHBondContact O-N 2.77Å; I251-K253 PolarHBondContact O-N 2.86Å; I251-K253 VanDerWaalsContact O-N 3.12Å; I251-N254 HydrophobicContact CB-CB 4.15Å; I251-N254 HydrophobicContact CD1-CB 4.03Å; I251-N254 HydrophobicContact CG1-CB 4.34Å; I251-N254 PolarHBondContact O-N 2.97Å; I251-N254 VanDerWaalsContact O-N 3.11Å; I251-L255 HydrophobicContact CD1-CB 4.24Å; I251-L255 HydrophobicContact CG1-CB 4.35Å
252G96.5Very high97.1Very high24 Ų2424.5 Ų24.525%0.24712%0.119CC..G310 helixtrans50.5-116.3174.500000113.2H248 N254 L255H248-G252 WeakPolarHBondContact O-CA 3.42Å; H248-G252 PolarHBondContact O-N 2.95Å; G252-N254 PolarHBondContact O-N 2.84Å; G252-L255 PolarHBondContact O-N 3.36Å; G252-L255 VanDerWaalsContact O-N 3.12Å
253K96.5Very high97.1Very high177 Ų17724.6 Ų24.677%0.7712%0.119SC*.G310 helixtrans-61.8-9.7-177.270175.7-176.5177.60115.7K229 I251 L255K229-K253 PolarHBondContact NZ-O 3.37Å; I251-K253 PolarHBondContact O-N 2.86Å; I251-K253 VanDerWaalsContact O-N 3.12Å; K253-L255 VanDerWaalsContact C-N 3.31Å
254N97.7Very high97.1Very high18 Ų1824.6 Ų24.610%0.09612%0.119CC..G310 helixtrans-85.5-7.9177.4-75.1-1000113.1D227 K229 V230 I251 G252D227-N254 PolarHBondContact O-ND2 3.16Å; K229-N254 WeakPolarHBondContact CA-O 3.35Å; K229-N254 HydrophobicContact CD-CB 3.96Å; K229-N254 PolarHBondContact NZ-OD1 2.98Å; V230-N254 PolarHBondContact N-O 3.47Å; I251-N254 HydrophobicContact CB-CB 4.15Å; I251-N254 HydrophobicContact CD1-CB 4.03Å; I251-N254 HydrophobicContact CG1-CB 4.34Å; I251-N254 PolarHBondContact O-N 2.97Å; I251-N254 VanDerWaalsContact O-N 3.11Å; G252-N254 PolarHBondContact O-N 2.84Å
255L98.2Very high97.1Very high3 Ų325.3 Ų25.32%0.01612%0.123CC..EExtended strand (participates in β ladder)trans-87133.1168.8177.165.2000110.8V230 L232 A244 L247 H248 I251 G252 K253 L283V230-L255 HydrophobicContact CB-CD1 4.47Å; V230-L255 HydrophobicContact CG1-CD1 4.4Å; V230-L255 WeakPolarHBondContact O-CA 3.35Å; L232-L255 HydrophobicContact CB-CD1 4.07Å; A244-L255 WeakPolarHBondContact O-CD2 3.33Å; L247-L255 HydrophobicContact CB-CD1 4.04Å; L247-L255 HydrophobicContact CB-CD2 3.8Å; L247-L255 HydrophobicContact CB-CG 4.39Å; L247-L255 HydrophobicContact CD1-CD1 3.88Å; H248-L255 HydrophobicContact CB-CD2 4.11Å; I251-L255 HydrophobicContact CD1-CB 4.24Å; I251-L255 HydrophobicContact CG1-CB 4.35Å; G252-L255 PolarHBondContact O-N 3.36Å; G252-L255 VanDerWaalsContact O-N 3.12Å; K253-L255 VanDerWaalsContact C-N 3.31Å; L255-L283 HydrophobicContact CD2-CD2 4.49Å
256T97.5Very high97Very high14 Ų1427 Ų279%0.08613%0.129CC..EExtended strand (participates in β ladder)trans-121.7120163.8-59.60000109.1V230 I231 L232 N284 V286 L326V230-T256 PolarHBondContact O-N 3.15Å; I231-T256 VanDerWaalsContact CA-O 3.3Å; I231-T256 WeakPolarHBondContact CA-O 3.34Å; L232-T256 PolarHBondContact N-O 3.26Å; T256-N284 PolarHBondContact OG1-ND2 3.22Å; T256-V286 HydrophobicContact CG2-CG2 3.84Å; T256-L326 HydrophobicContact CG2-CD1 3.72Å; T256-L326 HydrophobicContact CG2-CD2 4.17Å
257C96.9Very high96.9Very high0 Ų030.4 Ų30.40%015%0.147CC..EExtended strand (participates in β ladder)trans-91.3137173.7-67.10000109.7L232 L234 N284 I285 V286L232-C257 CarbonylContact O-C 3.55Å; L232-C257 WeakPolarHBondContact O-CA 3.4Å; L234-C257 HydrophobicContact CB-CB 4.25Å; L234-C257 HydrophobicContact CD2-CB 4.41Å; C257-N284 PolarHBondContact N-O 3.24Å; C257-I285 HydrophobicContact CB-CG1 4.19Å; C257-I285 CarbonylContact O-C 3.53Å; C257-I285 WeakPolarHBondContact O-CA 3.16Å; C257-V286 PolarHBondContact O-N 3.41Å
258V96.3Very high96.7Very high1 Ų134.7 Ų34.71%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-109.9116.5171.6-176.80000107.6L232 L234 V260 V286 V288 F319 E322L232-V258 PolarHBondContact O-N 2.58Å; L234-V258 PolarHBondContact N-O 2.79Å; V258-V260 HydrophobicContact CG1-CG2 4.12Å; V258-V286 HydrophobicContact CG2-CB 4.42Å; V258-V288 HydrophobicContact CG1-CG2 4.08Å; V258-F319 HydrophobicContact CB-CD2 4.02Å; V258-F319 HydrophobicContact CB-CE2 3.87Å; V258-F319 HydrophobicContact CG1-CD2 4.13Å; V258-F319 HydrophobicContact CG1-CE2 4.48Å; V258-F319 HydrophobicContact CG2-CE2 4.17Å; V258-E322 HydrophobicContact CG1-CB 3.98Å; V258-E322 HydrophobicContact CG1-CG 3.97Å; V258-E322 HydrophobicContact CG2-CB 4.31Å
259F96.1Very high96.5Very high2 Ų232.4 Ų32.41%0.00916%0.159CC..EExtended strand (participates in β ladder)trans-107.7110.2176.8176.9-114.5000109.4L234 D261 L265 A270 V273 L274 I285 V286 H287 V288L234-F259 HydrophobicContact CB-CB 4.38Å; L234-F259 WeakPolarHBondContact O-CD2 3.47Å; F259-D261 HydrophobicContact CE1-CB 4.29Å; F259-L265 HydrophobicContact CE2-CD1 4.12Å; F259-L265 HydrophobicContact CZ-CD1 3.58Å; F259-A270 HydrophobicContact CE1-CB 3.76Å; F259-A270 HydrophobicContact CZ-CB 3.98Å; F259-V273 HydrophobicContact CD1-CG1 4.46Å; F259-V273 HydrophobicContact CD2-CG1 3.86Å; F259-V273 HydrophobicContact CE1-CG1 4.48Å; F259-V273 HydrophobicContact CE2-CB 4.34Å; F259-V273 HydrophobicContact CE2-CG1 3.9Å; F259-V273 HydrophobicContact CG-CG1 4.18Å; F259-V273 HydrophobicContact CZ-CB 4.28Å; F259-V273 HydrophobicContact CZ-CG1 4.21Å; F259-L274 HydrophobicContact CD1-CD2 4.08Å; F259-L274 HydrophobicContact CD1-CG 4.22Å; F259-L274 HydrophobicContact CE1-CG 4.46Å; F259-I285 HydrophobicContact CB-CG2 3.9Å; F259-V286 PolarHBondContact N-O 3.43Å; F259-H287 AromaticContact CD1-CD2 3.71Å; F259-V288 PolarHBondContact O-N 3.44Å
260V95.5Very high96.3Very high9 Ų927.2 Ų27.26%0.05514%0.142CC..EExtended strand (participates in β ladder)trans-96.7106.8179.6-177.50000109.2V258 N262 V288 A290 F294 F315 V318V258-V260 HydrophobicContact CG1-CG2 4.12Å; V260-N262 PolarHBondContact O-N 2.81Å; V260-N262 VanDerWaalsContact O-N 3.17Å; V260-V288 HydrophobicContact CG2-CB 4.42Å; V260-V288 HydrophobicContact CG2-CG2 4.48Å; V260-A290 HydrophobicContact CG1-CB 4.07Å; V260-F294 HydrophobicContact CG1-CE2 3.91Å; V260-F294 HydrophobicContact CG1-CZ 4.32Å; V260-F315 HydrophobicContact CB-CD2 4.19Å; V260-F315 HydrophobicContact CB-CE2 3.97Å; V260-F315 HydrophobicContact CG1-CD2 4.37Å; V260-F315 HydrophobicContact CG2-CD2 4.5Å; V260-F315 HydrophobicContact CG2-CE2 4.15Å; V260-V318 HydrophobicContact CG1-CB 4.38Å; V260-V318 HydrophobicContact CG1-CG1 3.8Å; V260-V318 HydrophobicContact CG2-CG1 3.86Å
261D96.4Very high96.1Very high35 Ų3532.1 Ų32.119%0.18716%0.164CC..EExtended strand (participates in β ladder)trans-8097.1169.5-175.50.2000109F259 G263 A270 V288 A290 E291F259-D261 HydrophobicContact CE1-CB 4.29Å; D261-G263 PolarHBondContact O-N 3.09Å; D261-G263 PolarHBondContact OD1-N 2.83Å; D261-A270 HydrophobicContact CB-CB 4.46Å; D261-V288 PolarHBondContact N-O 3.48Å; D261-A290 CarbonylContact O-C 3.52Å; D261-A290 WeakPolarHBondContact O-CA 3.18Å; D261-A290 WeakPolarHBondContact O-CB 3.42Å; D261-A290 PolarHBondContact O-N 2.99Å; D261-E291 PolarHBondContact O-N 2.99Å
262N96.4Very high95.7Very high10 Ų1036.7 Ų36.75%0.05319%0.185CC..  trans-76.41.8178.964.88.6000113.7V260 L264 F294V260-N262 PolarHBondContact O-N 2.81Å; V260-N262 VanDerWaalsContact O-N 3.17Å; N262-L264 PolarHBondContact O-N 3.46Å; N262-L264 WeakPolarHBondContact OD1-CA 3.44Å; N262-L264 WeakPolarHBondContact OD1-CB 3.39Å; N262-L264 PolarHBondContact OD1-N 3.45Å; N262-F294 HydrophobicContact CB-CB 4.47Å; N262-F294 HydrophobicContact CB-CD1 3.79Å; N262-F294 HydrophobicContact CB-CD2 3.57Å; N262-F294 HydrophobicContact CB-CE1 3.76Å; N262-F294 HydrophobicContact CB-CE2 3.54Å; N262-F294 HydrophobicContact CB-CG 3.68Å; N262-F294 HydrophobicContact CB-CZ 3.62Å; N262-F294 WeakPolarHBondContact O-CB 3.4Å
263G97Very high95.5Very high1 Ų135.7 Ų35.71%0.0117%0.174CC..SBendtrans68.518.6-17700000113.9D261 R425D261-G263 PolarHBondContact O-N 3.09Å; D261-G263 PolarHBondContact OD1-N 2.83Å; G263-R425 PolarHBondContact O-NH2 2.86Å
264L97.6Very high95.3Very high0 Ų029 Ų290%015%0.147CC..  trans-124.415.9179-56.2174.3000112.2N262 L295 L298 I311 G407 L408 V416N262-L264 PolarHBondContact O-N 3.46Å; N262-L264 WeakPolarHBondContact OD1-CA 3.44Å; N262-L264 WeakPolarHBondContact OD1-CB 3.39Å; N262-L264 PolarHBondContact OD1-N 3.45Å; L264-L295 HydrophobicContact CD2-CD2 4.28Å; L264-L298 HydrophobicContact CD1-CD1 4Å; L264-I311 HydrophobicContact CD1-CD1 3.79Å; L264-I311 HydrophobicContact CD1-CG1 4.11Å; L264-G407 WeakPolarHBondContact O-CA 3.46Å; L264-L408 HydrophobicContact CB-CB 4.49Å; L264-L408 WeakPolarHBondContact O-CG 3.36Å; L264-L408 PolarHBondContact O-N 3.11Å; L264-V416 HydrophobicContact CD2-CG1 3.71Å
265L96.2Very high95.1Very high15 Ų1531.9 Ų31.98%0.07916%0.162CC..SBendtrans-83.2170.4175.5-53.8-179.6000112.2F259 E269 A270 F403 L408 R425F259-L265 HydrophobicContact CE2-CD1 4.12Å; F259-L265 HydrophobicContact CZ-CD1 3.58Å; L265-E269 HydrophobicContact CB-CB 4.07Å; L265-E269 HydrophobicContact CB-CG 4.33Å; L265-A270 HydrophobicContact CD1-CB 4.31Å; L265-F403 HydrophobicContact CD2-CE1 4.12Å; L265-L408 WeakPolarHBondContact O-CD1 3.36Å; L265-R425 PolarHBondContact O-NE 2.82Å; L265-R425 PolarHBondContact O-NH2 3.27Å
266R95.8Very high94.7Very high49 Ų4933.2 Ų33.219%0.18517%0.168CC..PPolyproline II helixtrans-69.9170.1174.6-69168.7-72.1-173.1-3.8111.7N268 E269 R400 F403R266-N268 PolarHBondContact O-N 2.79Å; R266-E269 HydrophobicContact CB-CB 4.19Å; R266-E269 WeakPolarHBondContact CB-OE2 3.36Å; R266-E269 IonicContact CZ-OE1 2.74Å; R266-E269 IonicContact CZ-OE2 3.94Å; R266-E269 PolarHBondContact N-OE2 2.98Å; R266-E269 IonicContact NE-OE1 2.9Å; R266-E269 IonicContact NE-OE2 2.94Å; R266-E269 PolarHBondContact NE-OE2 2.84Å; R266-E269 IonicContact NH2-OE1 3.76Å; R266-E269 PolarHBondContact NH2-OE1 2.79Å; R266-E269 IonicContact NH2-OE2 3.98Å; R266-E269 WeakPolarHBondContact O-CB 3.47Å; R266-E269 PolarHBondContact O-N 3.33Å; R266-R400 VanDerWaalsContact NH2-NH1 3.15Å; R266-F403 HydrophobicContact CG-CD2 4.29Å; R266-F403 HydrophobicContact CG-CE2 3.79Å; R266-F403 HydrophobicContact CG-CZ 4.09Å
267L96.5Very high94.5Very high72 Ų7232.6 Ų32.638%0.37716%0.164SC..THydrogen-bonded Turntrans-56.4124.9178.7-166.966.9000110.3E269 R425 A429L267-E269 PolarHBondContact O-N 3.31Å; L267-E269 VanDerWaalsContact O-N 3.08Å; L267-R425 HydrophobicContact CB-CB 4.15Å; L267-R425 HydrophobicContact CD1-CB 4.14Å; L267-A429 HydrophobicContact CB-CB 4.33Å; L267-A429 HydrophobicContact CD2-CB 3.77Å
268N93.8Very high94.2Very high90 Ų9033.7 Ų33.748%0.48118%0.176SC..THydrogen-bonded Turntrans58.713.6179.4-50-14.1000115.4R266 A270 E271 Q272R266-N268 PolarHBondContact O-N 2.79Å; N268-A270 VanDerWaalsContact C-N 3.34Å; N268-A270 PolarHBondContact O-N 3.14Å; N268-E271 PolarHBondContact O-N 2.73Å; N268-Q272 WeakPolarHBondContact O-CB 3.5Å; N268-Q272 VanDerWaalsContact O-CG 3.28Å; N268-Q272 WeakPolarHBondContact O-CG 3.28Å; N268-Q272 PolarHBondContact O-N 3.48Å
269E91.8Very high93.9Very high6 Ų640 Ų403%0.02821%0.209CC..Hα-helixtrans-66.1-36.6-176.9179.4163.4-155.500112.2L265 R266 L267 V273 R400L265-E269 HydrophobicContact CB-CB 4.07Å; L265-E269 HydrophobicContact CB-CG 4.33Å; R266-E269 HydrophobicContact CB-CB 4.19Å; R266-E269 WeakPolarHBondContact CB-OE2 3.36Å; R266-E269 IonicContact CZ-OE1 2.74Å; R266-E269 IonicContact CZ-OE2 3.94Å; R266-E269 PolarHBondContact N-OE2 2.98Å; R266-E269 IonicContact NE-OE1 2.9Å; R266-E269 IonicContact NE-OE2 2.94Å; R266-E269 PolarHBondContact NE-OE2 2.84Å; R266-E269 IonicContact NH2-OE1 3.76Å; R266-E269 PolarHBondContact NH2-OE1 2.79Å; R266-E269 IonicContact NH2-OE2 3.98Å; R266-E269 WeakPolarHBondContact O-CB 3.47Å; R266-E269 PolarHBondContact O-N 3.33Å; L267-E269 PolarHBondContact O-N 3.31Å; L267-E269 VanDerWaalsContact O-N 3.08Å; E269-V273 WeakPolarHBondContact O-CB 3.36Å; E269-V273 VanDerWaalsContact O-CG2 3.24Å; E269-V273 WeakPolarHBondContact O-CG2 3.39Å; E269-V273 PolarHBondContact O-N 3.16Å; E269-R400 IonicContact OE1-NH1 2.75Å; E269-R400 PolarHBondContact OE1-NH1 3.32Å
270A93.4Very high93.7Very high15 Ų1546.7 Ų46.712%0.12424%0.24CC..Hα-helixtrans-62.8-48.1175.800000112.3F259 D261 L265 N268 V273 L274F259-A270 HydrophobicContact CE1-CB 3.76Å; F259-A270 HydrophobicContact CZ-CB 3.98Å; D261-A270 HydrophobicContact CB-CB 4.46Å; L265-A270 HydrophobicContact CD1-CB 4.31Å; N268-A270 VanDerWaalsContact C-N 3.34Å; N268-A270 PolarHBondContact O-N 3.14Å; A270-V273 PolarHBondContact O-N 3.43Å; A270-L274 VanDerWaalsContact O-CG 3.31Å; A270-L274 WeakPolarHBondContact O-CG 3.48Å; A270-L274 PolarHBondContact O-N 3.1Å
271E94.1Very high93.5Very high111 Ų11148.1 Ų48.152%0.51925%0.246SC..Hα-helixtrans-59.3-50.1176.4-175.7179.3-162.700110.7N268 V273 L274 D275N268-E271 PolarHBondContact O-N 2.73Å; E271-V273 VanDerWaalsContact C-N 3.28Å; E271-V273 PolarHBondContact O-N 2.95Å; E271-L274 PolarHBondContact O-N 2.86Å; E271-L274 VanDerWaalsContact O-N 3.1Å; E271-D275 WeakPolarHBondContact O-CB 3.44Å; E271-D275 VanDerWaalsContact O-CG 3.27Å; E271-D275 PolarHBondContact O-N 3.31Å
272Q90.3Very high93.4Very high118 Ų11848.8 Ų48.855%0.55126%0.262SS*.Hα-helixtrans-58.1-38.1178-72.7175.4-15.300113.4N268 M276N268-Q272 WeakPolarHBondContact O-CB 3.5Å; N268-Q272 VanDerWaalsContact O-CG 3.28Å; N268-Q272 WeakPolarHBondContact O-CG 3.28Å; N268-Q272 PolarHBondContact O-N 3.48Å; Q272-M276 WeakPolarHBondContact O-CB 3.47Å; Q272-M276 PolarHBondContact O-N 2.84Å
273V90.8Very high93.4Very high3 Ų348.8 Ų48.82%0.01826%0.261CS..Hα-helixtrans-68.1-44.7176.9167.50000110.6L234 F259 E269 A270 E271 F277L234-V273 HydrophobicContact CD2-CG1 3.87Å; L234-V273 HydrophobicContact CG-CG1 4.46Å; F259-V273 HydrophobicContact CD1-CG1 4.46Å; F259-V273 HydrophobicContact CD2-CG1 3.86Å; F259-V273 HydrophobicContact CE1-CG1 4.48Å; F259-V273 HydrophobicContact CE2-CB 4.34Å; F259-V273 HydrophobicContact CE2-CG1 3.9Å; F259-V273 HydrophobicContact CG-CG1 4.18Å; F259-V273 HydrophobicContact CZ-CB 4.28Å; F259-V273 HydrophobicContact CZ-CG1 4.21Å; E269-V273 WeakPolarHBondContact O-CB 3.36Å; E269-V273 VanDerWaalsContact O-CG2 3.24Å; E269-V273 WeakPolarHBondContact O-CG2 3.39Å; E269-V273 PolarHBondContact O-N 3.16Å; A270-V273 PolarHBondContact O-N 3.43Å; E271-V273 VanDerWaalsContact C-N 3.28Å; E271-V273 PolarHBondContact O-N 2.95Å; V273-F277 HydrophobicContact CG1-CD2 3.94Å; V273-F277 HydrophobicContact CG1-CE2 4.37Å; V273-F277 WeakPolarHBondContact O-CB 3.44Å; V273-F277 WeakPolarHBondContact O-CD2 3.39Å; V273-F277 PolarHBondContact O-N 3.26Å
274L94.1Very high93.3Very high38 Ų3852.8 Ų52.820%0.19928%0.282CS..Hα-helixtrans-66.2-49-179.5-69.8168.2000112F259 A270 E271 M276 G278 I285 H287F259-L274 HydrophobicContact CD1-CD2 4.08Å; F259-L274 HydrophobicContact CD1-CG 4.22Å; F259-L274 HydrophobicContact CE1-CG 4.46Å; A270-L274 VanDerWaalsContact O-CG 3.31Å; A270-L274 WeakPolarHBondContact O-CG 3.48Å; A270-L274 PolarHBondContact O-N 3.1Å; E271-L274 PolarHBondContact O-N 2.86Å; E271-L274 VanDerWaalsContact O-N 3.1Å; L274-M276 VanDerWaalsContact C-N 3.33Å; L274-M276 PolarHBondContact O-N 2.8Å; L274-G278 VanDerWaalsContact O-CA 3.26Å; L274-G278 WeakPolarHBondContact O-CA 3.3Å; L274-G278 PolarHBondContact O-N 2.77Å; L274-I285 HydrophobicContact CD2-CG2 4.01Å; L274-H287 HydrophobicContact CD1-CB 4.47Å; L274-H287 HydrophobicContact CD2-CB 3.84Å
275D92.9Very high93.2Very high78 Ų7854.3 Ų54.342%0.41729%0.29SS..Iπ-helixtrans-60.5-45.2-179.8-66.61.6000110.9E271 D279 H280E271-D275 WeakPolarHBondContact O-CB 3.44Å; E271-D275 VanDerWaalsContact O-CG 3.27Å; E271-D275 PolarHBondContact O-N 3.31Å; D275-D279 WeakPolarHBondContact O-CB 3.43Å; D275-D279 PolarHBondContact O-N 3.29Å; D275-D279 VanDerWaalsContact O-N 3.16Å; D275-H280 PolarHBondContact O-N 2.9Å
276M89.9Confident93.2Very high31 Ų3155.5 Ų55.515%0.15330%0.298CS..Iπ-helixtrans-71-49.2-176.5177.2-176.569.400112Q272 L274 H280 F281 P394 M397Q272-M276 WeakPolarHBondContact O-CB 3.47Å; Q272-M276 PolarHBondContact O-N 2.84Å; L274-M276 VanDerWaalsContact C-N 3.33Å; L274-M276 PolarHBondContact O-N 2.8Å; M276-H280 WeakPolarHBondContact O-CB 3.49Å; M276-F281 HydrophobicContact CG-CD2 4.04Å; M276-F281 HydrophobicContact CG-CE2 3.72Å; M276-F281 WeakPolarHBondContact O-CD2 3.36Å; M276-F281 PolarHBondContact O-N 3.36Å; M276-F281 VanDerWaalsContact O-N 3.11Å; M276-F281 HydrophobicContact SD-CE2 4.49Å; M276-P394 HydrophobicContact SD-CG 3.96Å; M276-M397 HydrophobicContact CE-CE 3.31Å; M276-M397 HydrophobicContact CE-SD 3.16Å; M276-M397 WeakPolarHBondContact CE-SD 3.3Å; M276-M397 HydrophobicContact SD-CE 4.5Å; M276-M397 HydrophobicContact SD-SD 3.63Å; M276-M397 VanDerWaalsContact SD-SD 3.63Å
277F92.6Very high93.3Very high0 Ų056.7 Ų56.70%031%0.306CS..Iπ-helixtrans-83.2-40.2-176.1-71.9-66.3000113.1L234 S241 M245 V273 F281 G282 L283 I285 L393 M397L234-F277 HydrophobicContact CD1-CE2 4.23Å; L234-F277 HydrophobicContact CD1-CZ 4.5Å; L234-F277 HydrophobicContact CD2-CB 4.39Å; L234-F277 HydrophobicContact CD2-CD2 3.71Å; L234-F277 HydrophobicContact CD2-CE2 4.16Å; L234-F277 HydrophobicContact CD2-CG 4.17Å; S241-F277 WeakPolarHBondContact OG-CZ 3.46Å; M245-F277 HydrophobicContact CG-CE1 4.14Å; M245-F277 HydrophobicContact SD-CD1 4.14Å; M245-F277 HydrophobicContact SD-CE1 4.01Å; V273-F277 HydrophobicContact CG1-CD2 3.94Å; V273-F277 HydrophobicContact CG1-CE2 4.37Å; V273-F277 WeakPolarHBondContact O-CB 3.44Å; V273-F277 WeakPolarHBondContact O-CD2 3.39Å; V273-F277 PolarHBondContact O-N 3.26Å; F277-F281 HydrophobicContact CD1-CD2 4.06Å; F277-G282 PolarHBondContact O-N 3.34Å; F277-L283 HydrophobicContact CB-CB 4.48Å; F277-L283 HydrophobicContact CB-CD2 4.34Å; F277-L283 HydrophobicContact CD1-CD2 3.93Å; F277-L283 HydrophobicContact CG-CD2 4.46Å; F277-L283 WeakPolarHBondContact O-CB 3.36Å; F277-L283 PolarHBondContact O-N 3.02Å; F277-I285 HydrophobicContact CB-CD1 3.42Å; F277-I285 VanDerWaalsContact CB-CD1 3.42Å; F277-L393 HydrophobicContact CE1-CD2 3.81Å; F277-L393 HydrophobicContact CZ-CD2 4.14Å; F277-M397 HydrophobicContact CE2-CE 3.73Å; F277-M397 HydrophobicContact CZ-CE 3.72Å; F277-M397 HydrophobicContact CZ-SD 4.22Å
278G91.6Very high93.3Very high23 Ų2354.1 Ų54.124%0.23729%0.293CS..Iπ-helixtrans-73.8-63.6179.700000111L274 G282L274-G278 VanDerWaalsContact O-CA 3.26Å; L274-G278 WeakPolarHBondContact O-CA 3.3Å; L274-G278 PolarHBondContact O-N 2.77Å; G278-G282 WeakPolarHBondContact O-CA 3.45Å; G278-G282 PolarHBondContact O-N 3.33Å
279D89.1Confident93.5Very high134 Ų13454.7 Ų54.772%0.71730%0.301SS*.Iπ-helixtrans-78.9-44.2-170.4-60-43.8000112.9D275D275-D279 WeakPolarHBondContact O-CB 3.43Å; D275-D279 PolarHBondContact O-N 3.29Å; D275-D279 VanDerWaalsContact O-N 3.16Å
280H91.1Very high93.7Very high142 Ų14254.7 Ų54.766%0.65730%0.303SS*.Iπ-helixtrans-81.7-43.3-175.4-179.9-105000113.3D275 M276D275-H280 PolarHBondContact O-N 2.9Å; M276-H280 WeakPolarHBondContact O-CB 3.49Å
281F92.6Very high94Very high39 Ų3956.4 Ų56.417%0.17131%0.308CS..THydrogen-bonded Turntrans-95.5-11.4179.4-67.5-61.6000114.7M245 M276 F277 L283 G392 L393M245-F281 HydrophobicContact CE-CB 4.34Å; M245-F281 HydrophobicContact CE-CD1 3.48Å; M245-F281 VanDerWaalsContact CE-CD1 3.48Å; M245-F281 HydrophobicContact CE-CD2 4.24Å; M245-F281 HydrophobicContact CE-CE1 3.72Å; M245-F281 HydrophobicContact CE-CE2 4.46Å; M245-F281 HydrophobicContact CE-CG 3.77Å; M245-F281 HydrophobicContact CE-CZ 4.22Å; M245-F281 HydrophobicContact SD-CB 4.25Å; M245-F281 HydrophobicContact SD-CD1 4.25Å; M245-F281 HydrophobicContact SD-CD2 3.98Å; M245-F281 HydrophobicContact SD-CE2 4.42Å; M245-F281 HydrophobicContact SD-CG 3.91Å; M276-F281 HydrophobicContact CG-CD2 4.04Å; M276-F281 HydrophobicContact CG-CE2 3.72Å; M276-F281 WeakPolarHBondContact O-CD2 3.36Å; M276-F281 PolarHBondContact O-N 3.36Å; M276-F281 VanDerWaalsContact O-N 3.11Å; M276-F281 HydrophobicContact SD-CE2 4.49Å; F277-F281 HydrophobicContact CD1-CD2 4.06Å; F281-L283 VanDerWaalsContact C-N 3.34Å; F281-L283 HydrophobicContact CB-CD1 3.53Å; F281-L283 PolarHBondContact O-N 2.91Å; F281-G392 WeakPolarHBondContact CZ-O 3.23Å; F281-L393 HydrophobicContact CE2-CD2 3.79Å; F281-L393 HydrophobicContact CZ-CD2 4.17Å
282G93.9Very high94.2Very high50 Ų5057.1 Ų57.152%0.51532%0.315SS..  trans69.928177.900000114.1F277 G278F277-G282 PolarHBondContact O-N 3.34Å; G278-G282 WeakPolarHBondContact O-CA 3.45Å; G278-G282 PolarHBondContact O-N 3.33Å
283L95.5Very high94.5Very high10 Ų1055.6 Ų55.65%0.05230%0.304CS..  trans-72.8142.9174.2-84.965.4000110.3A244 M245 H248 L255 F277 F281 I285A244-L283 HydrophobicContact CB-CD2 3.81Å; M245-L283 HydrophobicContact SD-CD1 4.11Å; H248-L283 HydrophobicContact CB-CD1 4.05Å; H248-L283 HydrophobicContact CB-CG 4.2Å; L255-L283 HydrophobicContact CD2-CD2 4.49Å; F277-L283 HydrophobicContact CB-CB 4.48Å; F277-L283 HydrophobicContact CB-CD2 4.34Å; F277-L283 HydrophobicContact CD1-CD2 3.93Å; F277-L283 HydrophobicContact CG-CD2 4.46Å; F277-L283 WeakPolarHBondContact O-CB 3.36Å; F277-L283 PolarHBondContact O-N 3.02Å; F281-L283 VanDerWaalsContact C-N 3.34Å; F281-L283 HydrophobicContact CB-CD1 3.53Å; F281-L283 PolarHBondContact O-N 2.91Å; L283-I285 HydrophobicContact CB-CD1 4.44Å; L283-I285 HydrophobicContact CB-CG1 4.12Å; L283-I285 PolarHBondContact O-N 3.48Å
284N95.4Very high94.9Very high84 Ų8455.4 Ų55.445%0.44930%0.304SS..  trans-74.6109.7169-18032.5000109.5T256 C257T256-N284 PolarHBondContact OG1-ND2 3.22Å; C257-N284 PolarHBondContact N-O 3.24Å
285I96.3Very high95.1Very high33 Ų3354.7 Ų54.717%0.16930%0.3CS..EExtended strand (participates in β ladder)trans-120.7124.8-177.2-54.1175.3000110.4L234 C257 F259 L274 F277 L283L234-I285 HydrophobicContact CD2-CD1 4.31Å; C257-I285 HydrophobicContact CB-CG1 4.19Å; C257-I285 CarbonylContact O-C 3.53Å; C257-I285 WeakPolarHBondContact O-CA 3.16Å; F259-I285 HydrophobicContact CB-CG2 3.9Å; L274-I285 HydrophobicContact CD2-CG2 4.01Å; F277-I285 HydrophobicContact CB-CD1 3.42Å; F277-I285 VanDerWaalsContact CB-CD1 3.42Å; L283-I285 HydrophobicContact CB-CD1 4.44Å; L283-I285 HydrophobicContact CB-CG1 4.12Å; L283-I285 PolarHBondContact O-N 3.48Å
286V96.6Very high95.4Very high39 Ų3954.5 Ų54.524%0.23630%0.304CS..EExtended strand (participates in β ladder)trans-89106.7163.9-179.40000107.5T256 C257 V258 F259 V288 E322T256-V286 HydrophobicContact CG2-CG2 3.84Å; C257-V286 PolarHBondContact O-N 3.41Å; V258-V286 HydrophobicContact CG2-CB 4.42Å; F259-V286 PolarHBondContact N-O 3.43Å; V286-V288 HydrophobicContact CG1-CG2 4.22Å; V286-E322 HydrophobicContact CG1-CG 4.39Å
287H96.9Very high95.8Very high75 Ų7554.7 Ų54.735%0.34731%0.311SS..EExtended strand (participates in β ladder)trans-85.8126.2174.4178.2-149.6000110.2F259 L274F259-H287 AromaticContact CD1-CD2 3.71Å; L274-H287 HydrophobicContact CD1-CB 4.47Å; L274-H287 HydrophobicContact CD2-CB 3.84Å
288V97Very high96Very high18 Ų1854.7 Ų54.711%0.10931%0.311CS..EExtended strand (participates in β ladder)trans-117.799.6178-166.50000110.3V258 F259 V260 D261 V286 A290 V318 E322V258-V288 HydrophobicContact CG1-CG2 4.08Å; F259-V288 PolarHBondContact O-N 3.44Å; V260-V288 HydrophobicContact CG2-CB 4.42Å; V260-V288 HydrophobicContact CG2-CG2 4.48Å; D261-V288 PolarHBondContact N-O 3.48Å; V286-V288 HydrophobicContact CG1-CG2 4.22Å; V288-A290 PolarHBondContact O-N 3.11Å; V288-A290 VanDerWaalsContact O-N 3.14Å; V288-V318 HydrophobicContact CB-CG1 4.3Å; V288-V318 HydrophobicContact CG1-CG1 3.66Å; V288-E322 HydrophobicContact CG2-CG 3.45Å; V288-E322 VanDerWaalsContact CG2-CG 3.45Å
289P97Very high96.4Very high101 Ų10156.7 Ų56.766%0.65633%0.325SS*.EExtended strand (participates in β ladder)trans-72.1103.9172.6-11.326.6000109.7
290A97.7Very high96.8Very high7 Ų752.7 Ų52.76%0.05832%0.315CS..  trans-120.29.9-17300000114V260 D261 V288 D292 R293 F294V260-A290 HydrophobicContact CG1-CB 4.07Å; D261-A290 CarbonylContact O-C 3.52Å; D261-A290 WeakPolarHBondContact O-CA 3.18Å; D261-A290 WeakPolarHBondContact O-CB 3.42Å; D261-A290 PolarHBondContact O-N 2.99Å; V288-A290 PolarHBondContact O-N 3.11Å; V288-A290 VanDerWaalsContact O-N 3.14Å; A290-D292 VanDerWaalsContact C-N 3.33Å; A290-D292 PolarHBondContact O-N 3.25Å; A290-R293 WeakPolarHBondContact O-CB 3.4Å; A290-R293 PolarHBondContact O-N 3.01Å; A290-F294 HydrophobicContact CB-CD2 3.79Å; A290-F294 HydrophobicContact CB-CE2 3.8Å; A290-F294 WeakPolarHBondContact O-CD2 3.35Å; A290-F294 PolarHBondContact O-N 2.78Å; A290-F294 VanDerWaalsContact O-N 3.07Å
291E97.9Very high97.1Very high51 Ų5148.5 Ų48.524%0.23830%0.296CS..Hα-helixtrans-45.6-52.7-178.7175.1173.4-122.900112.6D261 R293 F294 L295 K418 R425D261-E291 PolarHBondContact O-N 2.99Å; E291-R293 VanDerWaalsContact C-N 3.34Å; E291-R293 PolarHBondContact O-N 2.82Å; E291-F294 PolarHBondContact O-N 3.04Å; E291-L295 HydrophobicContact CG-CD1 3.66Å; E291-L295 HydrophobicContact CG-CG 4.18Å; E291-L295 WeakPolarHBondContact O-CB 3.21Å; E291-L295 VanDerWaalsContact O-CG 3.3Å; E291-L295 WeakPolarHBondContact O-CG 3.33Å; E291-L295 PolarHBondContact O-N 3.18Å; E291-K418 IonicContact OE1-NZ 2.74Å; E291-K418 PolarHBondContact OE1-NZ 2.89Å; E291-K418 IonicContact OE2-NZ 3.77Å; E291-K418 PolarHBondContact OE2-NZ 3.13Å; E291-R425 IonicContact OE1-NH1 2.64Å
292D98.4Very high97.4Very high125 Ų12551.5 Ų51.567%0.66831%0.314SS*.Hα-helixtrans-63.1-38.6-177.7-174.458.2000112.9A290 L295 S296A290-D292 VanDerWaalsContact C-N 3.33Å; A290-D292 PolarHBondContact O-N 3.25Å; D292-L295 PolarHBondContact O-N 2.89Å; D292-S296 WeakPolarHBondContact O-CB 3.42Å; D292-S296 PolarHBondContact O-N 3.41Å; D292-S296 PolarHBondContact O-OG 3.47Å
293R98.3Very high97.5Very high86 Ų8652.8 Ų52.833%0.32531%0.309SS..Hα-helixtrans-64.7-43.9178.6-175.7176.1177.7164.4-0.7111.1A290 E291 A297 V314 E317 E321A290-R293 WeakPolarHBondContact O-CB 3.4Å; A290-R293 PolarHBondContact O-N 3.01Å; E291-R293 VanDerWaalsContact C-N 3.34Å; E291-R293 PolarHBondContact O-N 2.82Å; R293-A297 WeakPolarHBondContact O-CB 3.47Å; R293-A297 PolarHBondContact O-N 3.42Å; R293-A297 VanDerWaalsContact O-N 3.12Å; R293-V314 HydrophobicContact CG-CG1 4.04Å; R293-E317 IonicContact NH2-OE2 3.92Å; R293-E317 PolarHBondContact NH2-OE2 3.49Å; R293-E321 IonicContact CZ-OE1 2.61Å; R293-E321 VanDerWaalsContact CZ-OE1 3.32Å; R293-E321 IonicContact CZ-OE2 2.84Å; R293-E321 IonicContact NH1-OE1 3.59Å; R293-E321 PolarHBondContact NH1-OE1 3.14Å; R293-E321 IonicContact NH1-OE2 3.09Å; R293-E321 PolarHBondContact NH1-OE2 2.97Å; R293-E321 IonicContact NH2-OE1 2.63Å; R293-E321 PolarHBondContact NH2-OE1 2.84Å; R293-E321 IonicContact NH2-OE2 2.72Å
294F98.4Very high97.5Very high0 Ų055.8 Ų55.80%033%0.329CS..Hα-helixtrans-69.2-45.5177.8-83.2-95000112V260 N262 A290 E291 S296 A297 L298 I311 V314 F315 V318V260-F294 HydrophobicContact CG1-CE2 3.91Å; V260-F294 HydrophobicContact CG1-CZ 4.32Å; N262-F294 HydrophobicContact CB-CB 4.47Å; N262-F294 HydrophobicContact CB-CD1 3.79Å; N262-F294 HydrophobicContact CB-CD2 3.57Å; N262-F294 HydrophobicContact CB-CE1 3.76Å; N262-F294 HydrophobicContact CB-CE2 3.54Å; N262-F294 HydrophobicContact CB-CG 3.68Å; N262-F294 HydrophobicContact CB-CZ 3.62Å; N262-F294 WeakPolarHBondContact O-CB 3.4Å; A290-F294 HydrophobicContact CB-CD2 3.79Å; A290-F294 HydrophobicContact CB-CE2 3.8Å; A290-F294 WeakPolarHBondContact O-CD2 3.35Å; A290-F294 PolarHBondContact O-N 2.78Å; A290-F294 VanDerWaalsContact O-N 3.07Å; E291-F294 PolarHBondContact O-N 3.04Å; F294-S296 PolarHBondContact O-N 3.4Å; F294-A297 PolarHBondContact O-N 3.19Å; F294-L298 WeakPolarHBondContact O-CB 3.09Å; F294-L298 WeakPolarHBondContact O-CG 3.28Å; F294-L298 PolarHBondContact O-N 3.4Å; F294-I311 HydrophobicContact CD1-CG2 4.23Å; F294-I311 HydrophobicContact CE1-CG2 3.92Å; F294-I311 WeakPolarHBondContact CE1-O 3.3Å; F294-V314 HydrophobicContact CD1-CB 4.12Å; F294-V314 HydrophobicContact CD1-CG1 3.98Å; F294-V314 HydrophobicContact CD2-CG1 3.89Å; F294-V314 HydrophobicContact CE1-CB 3.84Å; F294-V314 HydrophobicContact CE1-CG1 3.86Å; F294-V314 HydrophobicContact CE2-CG1 3.78Å; F294-V314 HydrophobicContact CG-CG1 4.02Å; F294-V314 HydrophobicContact CZ-CB 4.13Å; F294-V314 HydrophobicContact CZ-CG1 3.78Å; F294-F315 HydrophobicContact CE1-CB 4.31Å; F294-F315 HydrophobicContact CZ-CB 3.98Å; F294-V318 HydrophobicContact CE2-CG2 4.43Å
295L98.3Very high97.4Very high23 Ų2357.8 Ų57.812%0.1234%0.336CS..Hα-helixtrans-65.1-39.4179.4-68.3-177.8000111.9L264 E291 D292 A297 L298 A299 V416 K418L264-L295 HydrophobicContact CD2-CD2 4.28Å; E291-L295 HydrophobicContact CG-CD1 3.66Å; E291-L295 HydrophobicContact CG-CG 4.18Å; E291-L295 WeakPolarHBondContact O-CB 3.21Å; E291-L295 VanDerWaalsContact O-CG 3.3Å; E291-L295 WeakPolarHBondContact O-CG 3.33Å; E291-L295 PolarHBondContact O-N 3.18Å; D292-L295 PolarHBondContact O-N 2.89Å; L295-A297 VanDerWaalsContact C-N 3.33Å; L295-A297 PolarHBondContact O-N 2.98Å; L295-L298 CarbonylContact O-C 3.59Å; L295-L298 PolarHBondContact O-N 2.99Å; L295-A299 PolarHBondContact O-N 3.33Å; L295-V416 HydrophobicContact CD2-CG1 4.11Å; L295-K418 HydrophobicContact CD1-CB 3.72Å; L295-K418 HydrophobicContact CD1-CG 4.42Å
296S98.4Very high97.4Very high73 Ų7357.3 Ų57.351%0.5134%0.337SS..Hα-helixtrans-61.7-40.7173.6-67.90000112D292 F294 L298 A299D292-S296 WeakPolarHBondContact O-CB 3.42Å; D292-S296 PolarHBondContact O-N 3.41Å; D292-S296 PolarHBondContact O-OG 3.47Å; F294-S296 PolarHBondContact O-N 3.4Å; S296-L298 VanDerWaalsContact C-N 3.28Å; S296-L298 PolarHBondContact O-N 2.86Å; S296-A299 WeakPolarHBondContact O-CB 3.47Å; S296-A299 PolarHBondContact O-N 3.08Å
297A98.2Very high97.4Very high35 Ų3555.7 Ų55.729%0.28933%0.326SS..Hα-helixtrans-69.8-24.3176.500000113.5R293 F294 L295 I310 V314R293-A297 WeakPolarHBondContact O-CB 3.47Å; R293-A297 PolarHBondContact O-N 3.42Å; R293-A297 VanDerWaalsContact O-N 3.12Å; F294-A297 PolarHBondContact O-N 3.19Å; L295-A297 VanDerWaalsContact C-N 3.33Å; L295-A297 PolarHBondContact O-N 2.98Å; A297-I310 HydrophobicContact CB-CG2 3.75Å; A297-I310 WeakPolarHBondContact O-CG2 3.42Å; A297-V314 HydrophobicContact CB-CG2 3.77Å
298L98.4Very high97.2Very high0 Ų058.3 Ų58.30%033%0.333CS..Hα-helixtrans-92.4-6178.4-73.8168.5000113.9L264 F294 L295 S296 G300 E301 K307 I310 I311 V416L264-L298 HydrophobicContact CD1-CD1 4Å; F294-L298 WeakPolarHBondContact O-CB 3.09Å; F294-L298 WeakPolarHBondContact O-CG 3.28Å; F294-L298 PolarHBondContact O-N 3.4Å; L295-L298 CarbonylContact O-C 3.59Å; L295-L298 PolarHBondContact O-N 2.99Å; S296-L298 VanDerWaalsContact C-N 3.28Å; S296-L298 PolarHBondContact O-N 2.86Å; L298-G300 PolarHBondContact O-N 3.02Å; L298-E301 PolarHBondContact O-N 3.39Å; L298-E301 VanDerWaalsContact O-N 3.09Å; L298-K307 HydrophobicContact CD2-CB 4.02Å; L298-K307 HydrophobicContact CD2-CD 4.33Å; L298-K307 HydrophobicContact CD2-CG 3.88Å; L298-I310 HydrophobicContact CD2-CB 4.29Å; L298-I310 HydrophobicContact CD2-CG2 3.99Å; L298-I310 HydrophobicContact CG-CG2 4.23Å; L298-I311 HydrophobicContact CD1-CD1 4.18Å; L298-I311 HydrophobicContact CD1-CG1 3.99Å; L298-I311 HydrophobicContact CD2-CD1 4.28Å; L298-I311 HydrophobicContact CD2-CG1 4.05Å; L298-I311 HydrophobicContact CG-CG1 4.39Å; L298-V416 HydrophobicContact CB-CB 4.47Å; L298-V416 HydrophobicContact CD1-CB 4.23Å; L298-V416 HydrophobicContact CD1-CG1 4.36Å
299A98.3Very high97Very high66 Ų6663.9 Ų63.955%0.54536%0.356SS..THydrogen-bonded Turntrans-58.9127.4-175.800000111.3L295 S296 E301L295-A299 PolarHBondContact O-N 3.33Å; S296-A299 WeakPolarHBondContact O-CB 3.47Å; S296-A299 PolarHBondContact O-N 3.08Å; A299-E301 PolarHBondContact O-N 3.5Å
300G97.7Very high97Very high49 Ų4960.2 Ų60.251%0.50533%0.331SS..THydrogen-bonded Turntrans70.22.6-177.800000116.4L298 N302 E415L298-G300 PolarHBondContact O-N 3.02Å; G300-N302 PolarHBondContact O-OD1 3.21Å; G300-E415 PolarHBondContact N-OE1 3Å
301E98.3Very high96.9Very high55 Ų5560.2 Ų60.226%0.25733%0.33SS..  trans-86.7125178.1-176.457-99.500111.6L298 A299 D303 A306 K307 I310 E415L298-E301 PolarHBondContact O-N 3.39Å; L298-E301 VanDerWaalsContact O-N 3.09Å; A299-E301 PolarHBondContact O-N 3.5Å; E301-D303 WeakPolarHBondContact OE1-CB 3.41Å; E301-D303 PolarHBondContact OE1-N 2.93Å; E301-A306 HydrophobicContact CG-CB 3.9Å; E301-A306 WeakPolarHBondContact OE2-CB 3.36Å; E301-K307 HydrophobicContact CB-CG 4.32Å; E301-K307 HydrophobicContact CG-CG 3.71Å; E301-I310 HydrophobicContact CB-CD1 4.17Å; E301-I310 HydrophobicContact CG-CD1 3.87Å; E301-E415 WeakPolarHBondContact O-CA 3.47Å
302N97.6Very high96.5Very high101 Ų10159.5 Ų59.554%0.5434%0.336SS..  trans-109.9-27-177.8-74.795.2000112.9G300 E415G300-N302 PolarHBondContact O-OD1 3.21Å; N302-E415 PolarHBondContact ND2-N 3.48Å
303D97.1Very high96.3Very high77 Ų7759.3 Ų59.341%0.41233%0.325SS..  trans-75.4123.5-175.6176.670.3000111.1E301 E305 A306 K307E301-D303 WeakPolarHBondContact OE1-CB 3.41Å; E301-D303 PolarHBondContact OE1-N 2.93Å; D303-E305 VanDerWaalsContact C-N 3.29Å; D303-E305 PolarHBondContact O-N 2.76Å; D303-E305 WeakPolarHBondContact OD2-CA 3.42Å; D303-E305 WeakPolarHBondContact OD2-CB 3.43Å; D303-E305 PolarHBondContact OD2-N 3.3Å; D303-E305 VanDerWaalsContact OD2-N 3.09Å; D303-A306 HydrophobicContact CB-CB 3.91Å; D303-A306 PolarHBondContact O-N 2.86Å; D303-A306 WeakPolarHBondContact OD2-CB 3.41Å; D303-A306 PolarHBondContact OD2-N 3.28Å; D303-K307 WeakPolarHBondContact O-CG 3.32Å; D303-K307 PolarHBondContact O-N 3.45Å
304P95.2Very high96.2Very high74 Ų7455.3 Ų55.348%0.48131%0.311SS..Hα-helixtrans-65.5-28.9-175.725.9-35.1000113.7R308P304-R308 WeakPolarHBondContact O-CG 3.28Å; P304-R308 PolarHBondContact O-N 3.44Å; P304-R308 VanDerWaalsContact O-N 3.15Å
305E93.2Very high95.9Very high126 Ų12657.9 Ų57.959%0.58932%0.322SS*.Hα-helixtrans-73-42.8175.6-64.2-164.8175.400111.5D303 K307 R308 K309D303-E305 VanDerWaalsContact C-N 3.29Å; D303-E305 PolarHBondContact O-N 2.76Å; D303-E305 WeakPolarHBondContact OD2-CA 3.42Å; D303-E305 WeakPolarHBondContact OD2-CB 3.43Å; D303-E305 PolarHBondContact OD2-N 3.3Å; D303-E305 VanDerWaalsContact OD2-N 3.09Å; E305-K307 VanDerWaalsContact C-N 3.34Å; E305-K307 PolarHBondContact O-N 3.09Å; E305-R308 WeakPolarHBondContact O-CB 3.48Å; E305-R308 PolarHBondContact O-N 3.31Å; E305-K309 WeakPolarHBondContact O-CG 3.45Å; E305-K309 PolarHBondContact O-N 2.96Å
306A95.5Very high95.2Very high22 Ų2257.6 Ų57.618%0.18232%0.321CS..Hα-helixtrans-59.2-45.2173.800000110.8E301 D303 R308 K309 I310E301-A306 HydrophobicContact CG-CB 3.9Å; E301-A306 WeakPolarHBondContact OE2-CB 3.36Å; D303-A306 HydrophobicContact CB-CB 3.91Å; D303-A306 PolarHBondContact O-N 2.86Å; D303-A306 WeakPolarHBondContact OD2-CB 3.41Å; D303-A306 PolarHBondContact OD2-N 3.28Å; A306-R308 VanDerWaalsContact C-N 3.34Å; A306-R308 PolarHBondContact O-N 2.98Å; A306-K309 PolarHBondContact O-N 3.34Å; A306-K309 VanDerWaalsContact O-N 3.16Å; A306-I310 WeakPolarHBondContact O-CB 3.48Å; A306-I310 VanDerWaalsContact O-CG1 3.28Å; A306-I310 WeakPolarHBondContact O-CG1 3.38Å; A306-I310 PolarHBondContact O-N 3.49Å
307K96.7Very high94.9Very high5 Ų557.3 Ų57.32%0.02231%0.312CS..Hα-helixtrans-55.6-46.2173.2-70.7-163.9-66.1175.50112.5L298 E301 D303 E305 K309 I310 I311 G409 V412 G414 V416L298-K307 HydrophobicContact CD2-CB 4.02Å; L298-K307 HydrophobicContact CD2-CD 4.33Å; L298-K307 HydrophobicContact CD2-CG 3.88Å; E301-K307 HydrophobicContact CB-CG 4.32Å; E301-K307 HydrophobicContact CG-CG 3.71Å; D303-K307 WeakPolarHBondContact O-CG 3.32Å; D303-K307 PolarHBondContact O-N 3.45Å; E305-K307 VanDerWaalsContact C-N 3.34Å; E305-K307 PolarHBondContact O-N 3.09Å; K307-K309 PolarHBondContact O-N 2.95Å; K307-I310 PolarHBondContact O-N 3.46Å; K307-I311 WeakPolarHBondContact O-CD1 3.35Å; K307-I311 VanDerWaalsContact O-CG1 3.23Å; K307-I311 WeakPolarHBondContact O-CG1 3.35Å; K307-I311 PolarHBondContact O-N 3.16Å; K307-G409 WeakPolarHBondContact CE-O 3.41Å; K307-G409 PolarHBondContact NZ-O 3Å; K307-V412 PolarHBondContact NZ-O 3.12Å; K307-G414 WeakPolarHBondContact CE-O 3.44Å; K307-G414 PolarHBondContact NZ-O 3.05Å; K307-V416 HydrophobicContact CD-CG2 3.69Å
308R93.9Very high94.6Very high130 Ų13055.7 Ų55.749%0.49130%0.298SS..Hα-helixtrans-59.7-45.4176.9-76.4176.6177.1-86.32111.8P304 E305 A306 G312 P406 V410P304-R308 WeakPolarHBondContact O-CG 3.28Å; P304-R308 PolarHBondContact O-N 3.44Å; P304-R308 VanDerWaalsContact O-N 3.15Å; E305-R308 WeakPolarHBondContact O-CB 3.48Å; E305-R308 PolarHBondContact O-N 3.31Å; A306-R308 VanDerWaalsContact C-N 3.34Å; A306-R308 PolarHBondContact O-N 2.98Å; R308-G312 PolarHBondContact O-N 2.91Å; R308-P406 HydrophobicContact CG-CG 4.29Å; R308-V410 HydrophobicContact CG-CG1 4.04Å
309K93.1Very high94.2Very high136 Ų13655.7 Ų55.759%0.59130%0.298SS*.Hα-helixtrans-64.1-42.6178.4-70.9170.1-175.7162.90111.9E305 A306 K307 R313E305-K309 WeakPolarHBondContact O-CG 3.45Å; E305-K309 PolarHBondContact O-N 2.96Å; A306-K309 PolarHBondContact O-N 3.34Å; A306-K309 VanDerWaalsContact O-N 3.16Å; K307-K309 PolarHBondContact O-N 2.95Å; K309-R313 VanDerWaalsContact O-CB 3.26Å; K309-R313 WeakPolarHBondContact O-CB 3.37Å; K309-R313 PolarHBondContact O-N 2.95Å
310I95.9Very high93.7Very high24 Ų2453.6 Ų53.612%0.12328%0.278CS..Hα-helixtrans-61.7-51.3176.9-70.4164.6000110.5A297 L298 E301 A306 K307 G312 R313 V314A297-I310 HydrophobicContact CB-CG2 3.75Å; A297-I310 WeakPolarHBondContact O-CG2 3.42Å; L298-I310 HydrophobicContact CD2-CB 4.29Å; L298-I310 HydrophobicContact CD2-CG2 3.99Å; L298-I310 HydrophobicContact CG-CG2 4.23Å; E301-I310 HydrophobicContact CB-CD1 4.17Å; E301-I310 HydrophobicContact CG-CD1 3.87Å; A306-I310 WeakPolarHBondContact O-CB 3.48Å; A306-I310 VanDerWaalsContact O-CG1 3.28Å; A306-I310 WeakPolarHBondContact O-CG1 3.38Å; A306-I310 PolarHBondContact O-N 3.49Å; K307-I310 PolarHBondContact O-N 3.46Å; I310-G312 VanDerWaalsContact C-N 3.35Å; I310-G312 PolarHBondContact O-N 2.97Å; I310-R313 PolarHBondContact O-N 3.07Å; I310-V314 HydrophobicContact CG2-CG2 4.31Å; I310-V314 VanDerWaalsContact O-CG2 3.3Å; I310-V314 WeakPolarHBondContact O-CG2 3.29Å; I310-V314 PolarHBondContact O-N 2.82Å
311I95.6Very high93.4Very high7 Ų755.1 Ų55.14%0.03627%0.272CS..Hα-helixtrans-62.2-44.6-178.7-64.6161.3000110.5L264 F294 L298 K307 F315 P406L264-I311 HydrophobicContact CD1-CD1 3.79Å; L264-I311 HydrophobicContact CD1-CG1 4.11Å; F294-I311 HydrophobicContact CD1-CG2 4.23Å; F294-I311 HydrophobicContact CE1-CG2 3.92Å; F294-I311 WeakPolarHBondContact CE1-O 3.3Å; L298-I311 HydrophobicContact CD1-CD1 4.18Å; L298-I311 HydrophobicContact CD1-CG1 3.99Å; L298-I311 HydrophobicContact CD2-CD1 4.28Å; L298-I311 HydrophobicContact CD2-CG1 4.05Å; L298-I311 HydrophobicContact CG-CG1 4.39Å; K307-I311 WeakPolarHBondContact O-CD1 3.35Å; K307-I311 VanDerWaalsContact O-CG1 3.23Å; K307-I311 WeakPolarHBondContact O-CG1 3.35Å; K307-I311 PolarHBondContact O-N 3.16Å; I311-F315 VanDerWaalsContact O-CB 3.3Å; I311-F315 WeakPolarHBondContact O-CB 3.21Å; I311-F315 PolarHBondContact O-N 2.85Å; I311-P406 HydrophobicContact CB-CB 4.41Å; I311-P406 HydrophobicContact CD1-CB 3.59Å; I311-P406 HydrophobicContact CG2-CB 4.2Å
312G90.7Very high93.1Very high35 Ų3553.7 Ų53.736%0.36127%0.265SS..Hα-helixtrans-59.4-48176.200000112.4R308 I310 F315 V316R308-G312 PolarHBondContact O-N 2.91Å; I310-G312 VanDerWaalsContact C-N 3.35Å; I310-G312 PolarHBondContact O-N 2.97Å; G312-F315 PolarHBondContact O-N 2.9Å; G312-V316 WeakPolarHBondContact O-CG2 3.37Å; G312-V316 PolarHBondContact O-N 3.26Å; G312-V316 VanDerWaalsContact O-N 3.12Å
313R93.8Very high92.6Very high121 Ų12149.4 Ų49.446%0.45724%0.244SC..Hα-helixtrans-59.8-52.3178.1176.9-178.359.681.10.1112.1K309 I310 F315 V316 E317K309-R313 VanDerWaalsContact O-CB 3.26Å; K309-R313 WeakPolarHBondContact O-CB 3.37Å; K309-R313 PolarHBondContact O-N 2.95Å; I310-R313 PolarHBondContact O-N 3.07Å; R313-F315 VanDerWaalsContact C-N 3.27Å; R313-F315 PolarHBondContact O-N 2.89Å; R313-V316 PolarHBondContact O-N 3.33Å; R313-E317 HydrophobicContact CG-CG 4.49Å; R313-E317 VanDerWaalsContact CG-OE1 3.24Å; R313-E317 WeakPolarHBondContact CG-OE1 3.38Å; R313-E317 IonicContact CZ-OE1 3.39Å; R313-E317 IonicContact NH1-OE1 3.67Å; R313-E317 PolarHBondContact NH1-OE1 2.7Å; R313-E317 IonicContact NH1-OE2 3.94Å; R313-E317 WeakPolarHBondContact O-CG 3.37Å; R313-E317 PolarHBondContact O-N 3.19Å
314V95.3Very high92.2Very high3 Ų353 Ų532%0.01826%0.262CS..Hα-helixtrans-64.3-35.4-177.51780000110.8R293 F294 A297 I310 E317 V318R293-V314 HydrophobicContact CG-CG1 4.04Å; F294-V314 HydrophobicContact CD1-CB 4.12Å; F294-V314 HydrophobicContact CD1-CG1 3.98Å; F294-V314 HydrophobicContact CD2-CG1 3.89Å; F294-V314 HydrophobicContact CE1-CB 3.84Å; F294-V314 HydrophobicContact CE1-CG1 3.86Å; F294-V314 HydrophobicContact CE2-CG1 3.78Å; F294-V314 HydrophobicContact CG-CG1 4.02Å; F294-V314 HydrophobicContact CZ-CB 4.13Å; F294-V314 HydrophobicContact CZ-CG1 3.78Å; A297-V314 HydrophobicContact CB-CG2 3.77Å; I310-V314 HydrophobicContact CG2-CG2 4.31Å; I310-V314 VanDerWaalsContact O-CG2 3.3Å; I310-V314 WeakPolarHBondContact O-CG2 3.29Å; I310-V314 PolarHBondContact O-N 2.82Å; V314-E317 PolarHBondContact O-N 3.2Å; V314-V318 HydrophobicContact CG1-CG2 4.29Å; V314-V318 WeakPolarHBondContact O-CB 3.4Å; V314-V318 VanDerWaalsContact O-CG2 3.25Å; V314-V318 WeakPolarHBondContact O-CG2 3.36Å; V314-V318 PolarHBondContact O-N 3.45Å
315F92.2Very high92.2Very high54 Ų5455.7 Ų55.724%0.23727%0.266CS..Hα-helixtrans-61.3-46.5173.7179.7-91.1000112.3V260 F294 I311 G312 R313 V318 F319V260-F315 HydrophobicContact CB-CD2 4.19Å; V260-F315 HydrophobicContact CB-CE2 3.97Å; V260-F315 HydrophobicContact CG1-CD2 4.37Å; V260-F315 HydrophobicContact CG2-CD2 4.5Å; V260-F315 HydrophobicContact CG2-CE2 4.15Å; F294-F315 HydrophobicContact CE1-CB 4.31Å; F294-F315 HydrophobicContact CZ-CB 3.98Å; I311-F315 VanDerWaalsContact O-CB 3.3Å; I311-F315 WeakPolarHBondContact O-CB 3.21Å; I311-F315 PolarHBondContact O-N 2.85Å; G312-F315 PolarHBondContact O-N 2.9Å; R313-F315 VanDerWaalsContact C-N 3.27Å; R313-F315 PolarHBondContact O-N 2.89Å; F315-V318 PolarHBondContact O-N 2.86Å; F315-F319 VanDerWaalsContact O-CB 3.3Å; F315-F319 WeakPolarHBondContact O-CB 3.28Å; F315-F319 PolarHBondContact O-N 3.47Å
316V85Confident92Very high16 Ų1652 Ų5210%0.09725%0.25CS..Hα-helixtrans-62.9-46.2177.4174.30000110.7G312 R313 V318 F319 D320 V361G312-V316 WeakPolarHBondContact O-CG2 3.37Å; G312-V316 PolarHBondContact O-N 3.26Å; G312-V316 VanDerWaalsContact O-N 3.12Å; R313-V316 PolarHBondContact O-N 3.33Å; V316-V318 PolarHBondContact O-N 3.31Å; V316-F319 PolarHBondContact O-N 2.78Å; V316-D320 VanDerWaalsContact O-CB 3.31Å; V316-D320 WeakPolarHBondContact O-CB 3.45Å; V316-D320 PolarHBondContact O-N 3.04Å; V316-V361 HydrophobicContact CG2-CG1 4.05Å
317E90.6Very high91.8Very high67 Ų6759 Ų5931%0.31328%0.279SS..Hα-helixtrans-55.9-48.4177.1-70.2170.2-167.500111.9R293 R313 V314 D320 E321R293-E317 IonicContact NH2-OE2 3.92Å; R293-E317 PolarHBondContact NH2-OE2 3.49Å; R313-E317 HydrophobicContact CG-CG 4.49Å; R313-E317 VanDerWaalsContact CG-OE1 3.24Å; R313-E317 WeakPolarHBondContact CG-OE1 3.38Å; R313-E317 IonicContact CZ-OE1 3.39Å; R313-E317 IonicContact NH1-OE1 3.67Å; R313-E317 PolarHBondContact NH1-OE1 2.7Å; R313-E317 IonicContact NH1-OE2 3.94Å; R313-E317 WeakPolarHBondContact O-CG 3.37Å; R313-E317 PolarHBondContact O-N 3.19Å; V314-E317 PolarHBondContact O-N 3.2Å; E317-D320 PolarHBondContact O-N 3Å; E317-E321 WeakPolarHBondContact O-CB 3.15Å; E317-E321 VanDerWaalsContact O-CG 3.24Å; E317-E321 WeakPolarHBondContact O-CG 3.3Å; E317-E321 PolarHBondContact O-N 3.14Å
318V93.3Very high91.5Very high1 Ų164.7 Ų64.71%0.00631%0.31CS..Hα-helixtrans-65.1-42.9179.2174.20000111.4V260 V288 F294 V314 F315 V316 E321 E322V260-V318 HydrophobicContact CG1-CB 4.38Å; V260-V318 HydrophobicContact CG1-CG1 3.8Å; V260-V318 HydrophobicContact CG2-CG1 3.86Å; V288-V318 HydrophobicContact CB-CG1 4.3Å; V288-V318 HydrophobicContact CG1-CG1 3.66Å; F294-V318 HydrophobicContact CE2-CG2 4.43Å; V314-V318 HydrophobicContact CG1-CG2 4.29Å; V314-V318 WeakPolarHBondContact O-CB 3.4Å; V314-V318 VanDerWaalsContact O-CG2 3.25Å; V314-V318 WeakPolarHBondContact O-CG2 3.36Å; V314-V318 PolarHBondContact O-N 3.45Å; F315-V318 PolarHBondContact O-N 2.86Å; V316-V318 PolarHBondContact O-N 3.31Å; V318-E321 PolarHBondContact O-N 3.36Å; V318-E322 PolarHBondContact O-N 2.97Å; V318-E322 VanDerWaalsContact O-N 3.15Å
319F90.1Very high91.5Very high0 Ų059.8 Ų59.80%029%0.294CS..Hα-helixtrans-64.9-42.6179.3-176.4-95.2000111.9I231 V258 F315 V316 E322 A323 L332I231-F319 HydrophobicContact CD1-CE1 3.86Å; I231-F319 HydrophobicContact CD1-CZ 3.75Å; I231-F319 HydrophobicContact CG1-CZ 4.27Å; V258-F319 HydrophobicContact CB-CD2 4.02Å; V258-F319 HydrophobicContact CB-CE2 3.87Å; V258-F319 HydrophobicContact CG1-CD2 4.13Å; V258-F319 HydrophobicContact CG1-CE2 4.48Å; V258-F319 HydrophobicContact CG2-CE2 4.17Å; F315-F319 VanDerWaalsContact O-CB 3.3Å; F315-F319 WeakPolarHBondContact O-CB 3.28Å; F315-F319 PolarHBondContact O-N 3.47Å; V316-F319 PolarHBondContact O-N 2.78Å; F319-E322 PolarHBondContact O-N 3.07Å; F319-A323 WeakPolarHBondContact O-CB 3.4Å; F319-A323 PolarHBondContact O-N 3.06Å; F319-L332 HydrophobicContact CE1-CD1 3.76Å; F319-L332 HydrophobicContact CZ-CD1 3.66Å
320D86.5Confident91.5Very high23 Ų2358.7 Ų58.712%0.12329%0.29CS..Hα-helixtrans-65.2-40.9177.9-71.8-3.5000111.3V316 E317 E322 A323 L324 P365 M368V316-D320 VanDerWaalsContact O-CB 3.31Å; V316-D320 WeakPolarHBondContact O-CB 3.45Å; V316-D320 PolarHBondContact O-N 3.04Å; E317-D320 PolarHBondContact O-N 3Å; D320-E322 VanDerWaalsContact C-N 3.32Å; D320-E322 PolarHBondContact O-N 3.4Å; D320-A323 PolarHBondContact O-N 3.2Å; D320-L324 WeakPolarHBondContact O-CB 3.49Å; D320-L324 VanDerWaalsContact O-CG 3.31Å; D320-L324 WeakPolarHBondContact O-CG 3.07Å; D320-L324 PolarHBondContact O-N 3.31Å; D320-P365 WeakPolarHBondContact OD2-CD 3.32Å; D320-M368 HydrophobicContact CB-CE 4.33Å; D320-M368 WeakPolarHBondContact OD1-CE 3.34Å
321E92.1Very high91.5Very high80 Ų8059.7 Ų59.737%0.37429%0.292SS..Hα-helixtrans-58.6-41.5174-78.3169.3-15300112.2R293 E317 V318 K325R293-E321 IonicContact CZ-OE1 2.61Å; R293-E321 VanDerWaalsContact CZ-OE1 3.32Å; R293-E321 IonicContact CZ-OE2 2.84Å; R293-E321 IonicContact NH1-OE1 3.59Å; R293-E321 PolarHBondContact NH1-OE1 3.14Å; R293-E321 IonicContact NH1-OE2 3.09Å; R293-E321 PolarHBondContact NH1-OE2 2.97Å; R293-E321 IonicContact NH2-OE1 2.63Å; R293-E321 PolarHBondContact NH2-OE1 2.84Å; R293-E321 IonicContact NH2-OE2 2.72Å; E317-E321 WeakPolarHBondContact O-CB 3.15Å; E317-E321 VanDerWaalsContact O-CG 3.24Å; E317-E321 WeakPolarHBondContact O-CG 3.3Å; E317-E321 PolarHBondContact O-N 3.14Å; V318-E321 PolarHBondContact O-N 3.36Å; E321-K325 WeakPolarHBondContact O-CE 3.27Å; E321-K325 WeakPolarHBondContact O-CG 3.37Å
322E92.3Very high91.4Very high26 Ų2659.6 Ų59.612%0.12129%0.291CS..Hα-helixtrans-72.5-40.2175.2-64.5-43.1131.100112.5V258 V286 V288 V318 F319 D320 L324 K325V258-E322 HydrophobicContact CG1-CB 3.98Å; V258-E322 HydrophobicContact CG1-CG 3.97Å; V258-E322 HydrophobicContact CG2-CB 4.31Å; V286-E322 HydrophobicContact CG1-CG 4.39Å; V288-E322 HydrophobicContact CG2-CG 3.45Å; V288-E322 VanDerWaalsContact CG2-CG 3.45Å; V318-E322 PolarHBondContact O-N 2.97Å; V318-E322 VanDerWaalsContact O-N 3.15Å; F319-E322 PolarHBondContact O-N 3.07Å; D320-E322 VanDerWaalsContact C-N 3.32Å; D320-E322 PolarHBondContact O-N 3.4Å; E322-L324 VanDerWaalsContact C-N 3.26Å; E322-L324 PolarHBondContact O-N 2.87Å; E322-K325 WeakPolarHBondContact O-CB 3.46Å; E322-K325 PolarHBondContact O-N 3.3Å; E322-K325 VanDerWaalsContact O-N 3.09Å; E322-K325 IonicContact OE1-NZ 2.82Å; E322-K325 PolarHBondContact OE1-NZ 3.2Å; E322-K325 WeakPolarHBondContact OE2-CD 3.32Å; E322-K325 IonicContact OE2-NZ 2.77Å; E322-K325 PolarHBondContact OE2-NZ 3.2Å
323A87.5Confident91.7Very high10 Ų1058 Ų588%0.08328%0.275CS..Hα-helixtrans-59-39.2177.800000111.8I231 F319 D320 K325 L326 M368I231-A323 HydrophobicContact CD1-CB 3.6Å; F319-A323 WeakPolarHBondContact O-CB 3.4Å; F319-A323 PolarHBondContact O-N 3.06Å; D320-A323 PolarHBondContact O-N 3.2Å; A323-K325 VanDerWaalsContact C-N 3.27Å; A323-K325 PolarHBondContact O-N 2.78Å; A323-L326 PolarHBondContact O-N 2.94Å; A323-M368 HydrophobicContact CB-CE 4.29Å
324L88.7Confident91.6Very high153 Ų15352.9 Ų52.980%0.80126%0.256SS*.THydrogen-bonded Turntrans-69.4-19.9177.9-72.9171.3000114.2D320 E322 L326D320-L324 WeakPolarHBondContact O-CB 3.49Å; D320-L324 VanDerWaalsContact O-CG 3.31Å; D320-L324 WeakPolarHBondContact O-CG 3.07Å; D320-L324 PolarHBondContact O-N 3.31Å; E322-L324 VanDerWaalsContact C-N 3.26Å; E322-L324 PolarHBondContact O-N 2.87Å; L324-L326 VanDerWaalsContact C-N 3.33Å
325K93.3Very high91.5Very high131 Ų13153.6 Ų53.657%0.5726%0.264SS*.THydrogen-bonded Turntrans-81.7-16.3175.1-65168.1-162.2169.40112.5E321 E322 A323E321-K325 WeakPolarHBondContact O-CE 3.27Å; E321-K325 WeakPolarHBondContact O-CG 3.37Å; E322-K325 WeakPolarHBondContact O-CB 3.46Å; E322-K325 PolarHBondContact O-N 3.3Å; E322-K325 VanDerWaalsContact O-N 3.09Å; E322-K325 IonicContact OE1-NZ 2.82Å; E322-K325 PolarHBondContact OE1-NZ 3.2Å; E322-K325 WeakPolarHBondContact OE2-CD 3.32Å; E322-K325 IonicContact OE2-NZ 2.77Å; E322-K325 PolarHBondContact OE2-NZ 3.2Å; A323-K325 VanDerWaalsContact C-N 3.27Å; A323-K325 PolarHBondContact O-N 2.78Å
326L90.5Very high91.5Very high48 Ų4851.2 Ų51.225%0.25125%0.254SS..SBendtrans-90123.8-179.2-61.5174.5000109.9I231 T256 A323 L324 V329I231-L326 HydrophobicContact CG2-CD1 3.52Å; T256-L326 HydrophobicContact CG2-CD1 3.72Å; T256-L326 HydrophobicContact CG2-CD2 4.17Å; A323-L326 PolarHBondContact O-N 2.94Å; L324-L326 VanDerWaalsContact C-N 3.33Å; L326-V329 HydrophobicContact CB-CG2 3.5Å; L326-V329 HydrophobicContact CD1-CG2 4.33Å
327E90.4Very high92Very high169 Ų16951.1 Ų51.179%0.7925%0.252SS*.THydrogen-bonded Turntrans-79.1147.9177.2-64.8179.3175.800111.2V329E327-V329 PolarHBondContact O-N 3.41Å; E327-V329 VanDerWaalsContact O-N 3.09Å
328D91.7Very high92.2Very high125 Ų12548.5 Ų48.567%0.66824%0.24SC*.THydrogen-bonded Turntrans59.318.4173.4-61-42.4000117K330D328-K330 PolarHBondContact O-N 2.81Å
329V92.7Very high92.1Very high27 Ų2749.9 Ų49.916%0.16425%0.249CC..EExtended strand (participates in β ladder)trans-68.1122.9172.3-1780000110.5K229 I231 L326 E327 M370K229-V329 HydrophobicContact CB-CG2 4.4Å; I231-V329 HydrophobicContact CB-CG1 4.12Å; I231-V329 HydrophobicContact CD1-CG1 4.22Å; I231-V329 HydrophobicContact CG1-CG1 3.82Å; I231-V329 HydrophobicContact CG2-CB 4.13Å; I231-V329 HydrophobicContact CG2-CG1 3.43Å; I231-V329 VanDerWaalsContact CG2-CG1 3.43Å; I231-V329 HydrophobicContact CG2-CG2 3.54Å; L326-V329 HydrophobicContact CB-CG2 3.5Å; L326-V329 HydrophobicContact CD1-CG2 4.33Å; E327-V329 PolarHBondContact O-N 3.41Å; E327-V329 VanDerWaalsContact O-N 3.09Å; V329-M370 HydrophobicContact CB-SD 4.46Å; V329-M370 HydrophobicContact CG1-SD 3.51Å; V329-M370 VanDerWaalsContact CG1-SD 3.51Å
330K94Very high92Very high113 Ų11351.2 Ų51.249%0.49126%0.256SS..EExtended strand (participates in β ladder)trans-112.2-21.3178.3-63.9-61.6-177.7-175.70113.7D228 K229 D328 M370 G371D228-K330 HydrophobicContact CB-CB 4.06Å; D228-K330 HydrophobicContact CB-CG 4.25Å; K229-K330 PolarHBondContact O-N 2.81Å; K229-K330 VanDerWaalsContact O-N 3.09Å; D328-K330 PolarHBondContact O-N 2.81Å; K330-M370 CarbonylContact O-C 3.54Å; K330-M370 VanDerWaalsContact O-CA 3.22Å; K330-M370 WeakPolarHBondContact O-CA 3.25Å; K330-M370 WeakPolarHBondContact O-CB 3.31Å; K330-G371 PolarHBondContact O-N 3.08Å
331W95.5Very high92.1Very high45 Ų4552.8 Ų52.817%0.1727%0.266CS..EExtended strand (participates in β ladder)trans-129.2136.8-171.4-61.194.5000111.9Q224 V225 D228 K229 V230 I231 G371 V373Q224-W331 HydrophobicContact CG-CH2 3.89Å; Q224-W331 HydrophobicContact CG-CZ2 4.39Å; Q224-W331 HydrophobicContact CG-CZ3 4.14Å; Q224-W331 VanDerWaalsContact O-CZ2 3.31Å; Q224-W331 WeakPolarHBondContact O-CZ2 3.29Å; V225-W331 HydrophobicContact CG2-CD2 4.49Å; V225-W331 HydrophobicContact CG2-CG 4.41Å; D228-W331 VanDerWaalsContact CB-CD1 3.49Å; D228-W331 PolarHBondContact OD2-NE1 2.86Å; K229-W331 PolarHBondContact O-N 2.73Å; V230-W331 WeakPolarHBondContact CA-O 3.26Å; V230-W331 HydrophobicContact CB-CB 4.31Å; V230-W331 HydrophobicContact CG1-CB 4.18Å; V230-W331 HydrophobicContact CG2-CB 3.91Å; V230-W331 HydrophobicContact CG2-CG 4.4Å; I231-W331 PolarHBondContact N-O 2.97Å; W331-G371 CarbonylContact C-O 3.51Å; W331-G371 WeakPolarHBondContact CA-O 3.17Å; W331-G371 VanDerWaalsContact CE3-C 3.41Å; W331-V373 HydrophobicContact CB-CG2 3.93Å; W331-V373 HydrophobicContact CD2-CG2 3.91Å; W331-V373 HydrophobicContact CE3-CG2 3.55Å; W331-V373 HydrophobicContact CG-CG2 4.08Å; W331-V373 HydrophobicContact CZ3-CG2 4.37Å
332L94.1Very high91.8Very high4 Ų450.1 Ų50.12%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-103.1123.916617563.6000108.9I231 F319 Q334 L364 M370 G371 L372 V373I231-L332 HydrophobicContact CD1-CD1 4.12Å; I231-L332 HydrophobicContact CG1-CD1 3.85Å; F319-L332 HydrophobicContact CE1-CD1 3.76Å; F319-L332 HydrophobicContact CZ-CD1 3.66Å; L332-Q334 HydrophobicContact CG-CG 4.44Å; L332-L364 HydrophobicContact CD2-CD1 3.27Å; L332-L364 HydrophobicContact CD2-CD2 3.71Å; L332-L364 HydrophobicContact CD2-CG 4.13Å; L332-M370 HydrophobicContact CB-CB 4.4Å; L332-M370 HydrophobicContact CB-CE 4.19Å; L332-M370 HydrophobicContact CB-SD 4.39Å; L332-G371 PolarHBondContact N-O 3.21Å; L332-L372 HydrophobicContact CB-CD2 4.34Å; L332-L372 HydrophobicContact CD2-CD2 4.26Å; L332-L372 HydrophobicContact CG-CD2 4.31Å; L332-L372 WeakPolarHBondContact O-CA 3.31Å; L332-V373 PolarHBondContact O-N 2.84Å
333A95.6Very high91.2Very high2 Ų252 Ų522%0.01726%0.263CS..EExtended strand (participates in β ladder)trans-91.2142.9173.400000112.3V230 I231 L232 T243 L247 V373V230-A333 HydrophobicContact CG1-CB 3.74Å; I231-A333 PolarHBondContact O-N 3.12Å; L232-A333 HydrophobicContact CB-CB 4.16Å; L232-A333 HydrophobicContact CD1-CB 3.91Å; L232-A333 WeakPolarHBondContact CD1-O 3.35Å; T243-A333 HydrophobicContact CG2-CB 4.33Å; L247-A333 HydrophobicContact CD1-CB 3.35Å; A333-V373 CarbonylContact C-O 3.53Å; A333-V373 VanDerWaalsContact CA-O 3.25Å; A333-V373 WeakPolarHBondContact CA-O 3.4Å
334Q91.8Very high90.6Very high14 Ų1455 Ų557%0.06528%0.283CS..  trans-133.3148.3174.5-62.2-170.6-38.600111.2L332 T336 N360 L372 V373 E374L332-Q334 HydrophobicContact CG-CG 4.44Å; Q334-T336 PolarHBondContact O-N 3.16Å; Q334-N360 PolarHBondContact OE1-ND2 3.37Å; Q334-L372 HydrophobicContact CG-CD2 4.03Å; Q334-V373 PolarHBondContact N-O 2.97Å; Q334-E374 HydrophobicContact CB-CG 4.29Å
335G94.6Very high90Very high17 Ų1750.5 Ų50.518%0.17527%0.268CS..  trans-88.532.2176.600000113.5D239 T243 I337D239-G335 WeakPolarHBondContact CB-O 3.46Å; T243-G335 WeakPolarHBondContact OG1-CA 3.15Å; G335-I337 PolarHBondContact O-N 3.48Å
336T91.2Very high88.7Confident5 Ų546.1 Ų46.13%0.03126%0.257CS..  trans-62.1128.2-179.3-490000110.1Q334 D340 V341 N360 E374 L376 K377Q334-T336 PolarHBondContact O-N 3.16Å; T336-D340 HydrophobicContact CG2-CB 3.82Å; T336-V341 HydrophobicContact CG2-CG2 4.35Å; T336-N360 PolarHBondContact OG1-ND2 3.41Å; T336-N360 PolarHBondContact OG1-OD1 3.13Å; T336-E374 PolarHBondContact OG1-OE1 3.33Å; T336-L376 CarbonylContact O-C 3.53Å; T336-L376 WeakPolarHBondContact O-CB 3.45Å; T336-K377 VanDerWaalsContact O-CA 3.3Å; T336-K377 WeakPolarHBondContact O-CA 3.47Å; T336-K377 PolarHBondContact O-N 2.98Å; T336-K377 VanDerWaalsContact O-N 3.07Å
337I94.9Very high87Confident13 Ų1346.7 Ų46.77%0.06727%0.265CS..  trans-108.1166.4-17857.2166.5000111.1G335 P339 D340 V341 L376 K381 V384G335-I337 PolarHBondContact O-N 3.48Å; I337-P339 HydrophobicContact CD1-CG 4.13Å; I337-P339 HydrophobicContact CG1-CG 4.47Å; I337-D340 WeakPolarHBondContact CG1-OD2 3.45Å; I337-D340 PolarHBondContact N-OD2 3.2Å; I337-D340 WeakPolarHBondContact O-CB 3.45Å; I337-D340 PolarHBondContact O-N 2.78Å; I337-V341 PolarHBondContact O-N 2.86Å; I337-L376 HydrophobicContact CG2-CB 4.07Å; I337-L376 HydrophobicContact CG2-CD1 4.44Å; I337-K381 HydrophobicContact CD1-CB 4.29Å; I337-K381 HydrophobicContact CD1-CD 4.04Å; I337-V384 HydrophobicContact CG2-CG2 3.85Å
338Y95.1Very high84.9Confident13 Ų1343 Ų435%0.05126%0.263CS..Hα-helixtrans-58.2-38.9-173.8-167.7-136.6000115E35 L36 D340 V341 I342 K377 L379 F380E35-Y338 VanDerWaalsContact CA-OH 3.26Å; E35-Y338 WeakPolarHBondContact CA-OH 3.45Å; E35-Y338 WeakPolarHBondContact CB-OH 3.41Å; L36-Y338 PolarHBondContact N-OH 2.71Å; Y338-D340 PolarHBondContact O-N 3.03Å; Y338-V341 HydrophobicContact CD2-CB 4.29Å; Y338-V341 WeakPolarHBondContact O-CB 3.47Å; Y338-V341 PolarHBondContact O-N 3.03Å; Y338-V341 VanDerWaalsContact O-N 3.11Å; Y338-I342 HydrophobicContact CD1-CD1 3.79Å; Y338-I342 HydrophobicContact CD1-CG1 4.49Å; Y338-I342 HydrophobicContact CD2-CG1 4.39Å; Y338-I342 HydrophobicContact CE1-CD1 3.69Å; Y338-I342 HydrophobicContact CE1-CG1 4.27Å; Y338-I342 HydrophobicContact CE2-CD1 4.42Å; Y338-I342 HydrophobicContact CE2-CG1 4.15Å; Y338-I342 HydrophobicContact CG-CD1 4.21Å; Y338-I342 WeakPolarHBondContact O-CG1 3.3Å; Y338-I342 PolarHBondContact O-N 3.43Å; Y338-K377 VanDerWaalsContact CA-O 3.23Å; Y338-K377 WeakPolarHBondContact CA-O 3.31Å; Y338-K377 WeakPolarHBondContact CB-O 3.25Å; Y338-K377 VanDerWaalsContact CD2-O 3.28Å; Y338-K377 WeakPolarHBondContact CD2-O 3.3Å; Y338-K377 PolarHBondContact N-O 3.04Å; Y338-L379 WeakPolarHBondContact CB-O 3.24Å; Y338-L379 PolarHBondContact N-O 3.19Å; Y338-F380 HydrophobicContact CD1-CD2 4.39Å; Y338-F380 HydrophobicContact CD1-CE1 4.18Å; Y338-F380 AromaticContact CD1-CE2 3.78Å; Y338-F380 HydrophobicContact CD1-CE2 3.78Å; Y338-F380 AromaticContact CD1-CZ 3.65Å; Y338-F380 HydrophobicContact CD1-CZ 3.65Å; Y338-F380 HydrophobicContact CE1-CE2 4.28Å; Y338-F380 HydrophobicContact CE1-CZ 4.1Å
339P90.9Very high82.7Confident29 Ų2941.6 Ų41.619%0.18826%0.259CS..Hα-helixtrans-54.3-36.1171-29.737.2000114.6I337 V341 I342 E343 F380I337-P339 HydrophobicContact CD1-CG 4.13Å; I337-P339 HydrophobicContact CG1-CG 4.47Å; P339-V341 VanDerWaalsContact C-N 3.34Å; P339-I342 PolarHBondContact O-N 3.44Å; P339-E343 PolarHBondContact O-N 3.33Å; P339-F380 HydrophobicContact CG-CD1 3.81Å; P339-F380 HydrophobicContact CG-CE1 4.2Å
340D88.8Confident79.8Confident29 Ų2943.7 Ų43.716%0.15529%0.286CS..Hα-helixtrans-69.2-36.7179-53.5-40.1000111T336 I337 Y338 S344T336-D340 HydrophobicContact CG2-CB 3.82Å; I337-D340 WeakPolarHBondContact CG1-OD2 3.45Å; I337-D340 PolarHBondContact N-OD2 3.2Å; I337-D340 WeakPolarHBondContact O-CB 3.45Å; I337-D340 PolarHBondContact O-N 2.78Å; Y338-D340 PolarHBondContact O-N 3.03Å; D340-S344 WeakPolarHBondContact O-CB 3.26Å; D340-S344 PolarHBondContact O-N 2.75Å; D340-S344 PolarHBondContact O-OG 2.86Å
341V88.7Confident76.9Confident55 Ų5547.3 Ų47.333%0.33330%0.301SS..Hα-helixtrans-67-43.3176.3-178.30000110.7T336 I337 Y338 P339 S344 A345 K377T336-V341 HydrophobicContact CG2-CG2 4.35Å; I337-V341 PolarHBondContact O-N 2.86Å; Y338-V341 HydrophobicContact CD2-CB 4.29Å; Y338-V341 WeakPolarHBondContact O-CB 3.47Å; Y338-V341 PolarHBondContact O-N 3.03Å; Y338-V341 VanDerWaalsContact O-N 3.11Å; P339-V341 VanDerWaalsContact C-N 3.34Å; V341-S344 PolarHBondContact O-N 3.07Å; V341-A345 WeakPolarHBondContact O-CB 3.22Å; V341-A345 PolarHBondContact O-N 3.44Å; V341-K377 HydrophobicContact CG2-CB 4.12Å
342I86.5Confident73.7Confident25 Ų2546.8 Ų46.813%0.12831%0.307CS..Hα-helixtrans-62.6-46.8177-65.6164000110.5L36 Y338 P339 S344 A345 A346L36-I342 HydrophobicContact CB-CD1 4.32Å; L36-I342 HydrophobicContact CD1-CD1 4.32Å; L36-I342 HydrophobicContact CD2-CG2 4.21Å; Y338-I342 HydrophobicContact CD1-CD1 3.79Å; Y338-I342 HydrophobicContact CD1-CG1 4.49Å; Y338-I342 HydrophobicContact CD2-CG1 4.39Å; Y338-I342 HydrophobicContact CE1-CD1 3.69Å; Y338-I342 HydrophobicContact CE1-CG1 4.27Å; Y338-I342 HydrophobicContact CE2-CD1 4.42Å; Y338-I342 HydrophobicContact CE2-CG1 4.15Å; Y338-I342 HydrophobicContact CG-CD1 4.21Å; Y338-I342 WeakPolarHBondContact O-CG1 3.3Å; Y338-I342 PolarHBondContact O-N 3.43Å; P339-I342 PolarHBondContact O-N 3.44Å; I342-S344 VanDerWaalsContact C-N 3.29Å; I342-S344 PolarHBondContact O-N 2.91Å; I342-A345 PolarHBondContact O-N 2.82Å; I342-A346 PolarHBondContact O-N 3.23Å
343E77.7Confident70.6Confident64 Ų6454.5 Ų54.530%0.29934%0.343SS..Hα-helixtrans-61-40.6178-170.1173.3-178.600111.1P339 A346 S347P339-E343 PolarHBondContact O-N 3.33Å; E343-A346 PolarHBondContact O-N 3.24Å; E343-S347 PolarHBondContact O-N 3.38Å; E343-S347 VanDerWaalsContact O-N 3.14Å
344S75.4Confident67.3Low73 Ų7360.1 Ų60.151%0.5138%0.376SS..Hα-helixtrans-65.1-42.7176.4-59.70000112.2D340 V341 I342 A346 S347 A348D340-S344 WeakPolarHBondContact O-CB 3.26Å; D340-S344 PolarHBondContact O-N 2.75Å; D340-S344 PolarHBondContact O-OG 2.86Å; V341-S344 PolarHBondContact O-N 3.07Å; I342-S344 VanDerWaalsContact C-N 3.29Å; I342-S344 PolarHBondContact O-N 2.91Å; S344-A346 VanDerWaalsContact C-N 3.33Å; S344-A346 PolarHBondContact O-N 3.12Å; S344-S347 PolarHBondContact O-N 3.36Å; S344-S347 PolarHBondContact O-OG 3.25Å; S344-A348 PolarHBondContact O-N 2.88Å
345A75.8Confident64.4Low59 Ų5966 Ų6649%0.48841%0.407SS..Hα-helixtrans-62.8-38.5176.200000112.3V341 I342 S347 A348 T349V341-A345 WeakPolarHBondContact O-CB 3.22Å; V341-A345 PolarHBondContact O-N 3.44Å; I342-A345 PolarHBondContact O-N 2.82Å; A345-S347 VanDerWaalsContact C-N 3.3Å; A345-S347 PolarHBondContact O-N 3.46Å; A345-A348 PolarHBondContact O-N 3.12Å; A345-T349 PolarHBondContact O-N 2.85Å
346A67.4Low61.3Low40 Ų4070.8 Ų70.833%0.33142%0.423SS..Hα-helixtrans-67.8-29.1176.400000113I342 E343 S344 T349 A352I342-A346 PolarHBondContact O-N 3.23Å; E343-A346 PolarHBondContact O-N 3.24Å; S344-A346 VanDerWaalsContact C-N 3.33Å; S344-A346 PolarHBondContact O-N 3.12Å; A346-T349 PolarHBondContact O-OG1 2.77Å; A346-A352 HydrophobicContact CB-CB 3.84Å; A346-A352 PolarHBondContact O-N 3.04Å
347S54.1Low58.3Low60 Ų6074.5 Ų74.542%0.4245%0.449SS..Hα-helixtrans-73.7-31.5173.7720000112.9E343 S344 A345 T349 G350E343-S347 PolarHBondContact O-N 3.38Å; E343-S347 VanDerWaalsContact O-N 3.14Å; S344-S347 PolarHBondContact O-N 3.36Å; S344-S347 PolarHBondContact O-OG 3.25Å; A345-S347 VanDerWaalsContact C-N 3.3Å; A345-S347 PolarHBondContact O-N 3.46Å; S347-T349 VanDerWaalsContact C-N 3.29Å; S347-T349 PolarHBondContact O-N 2.87Å; S347-G350 PolarHBondContact O-N 2.89Å; S347-G350 VanDerWaalsContact O-N 3.13Å
348A45.8Very low55.4Low90 Ų9079.9 Ų79.974%0.74447%0.474SS*.Hα-helixtrans-67-28.1175.400000113.1S344 A345 G350S344-A348 PolarHBondContact O-N 2.88Å; A345-A348 PolarHBondContact O-N 3.12Å; A348-G350 VanDerWaalsContact C-N 3.28Å
349T46.5Very low52.7Low97 Ų9785.3 Ų85.360%0.59550%0.5SS*.THydrogen-bonded Turntrans-85.44.2174.357.80000113.5A345 A346 S347 K351A345-T349 PolarHBondContact O-N 2.85Å; A346-T349 PolarHBondContact O-OG1 2.77Å; S347-T349 VanDerWaalsContact C-N 3.29Å; S347-T349 PolarHBondContact O-N 2.87Å; T349-K351 VanDerWaalsContact C-N 3.34Å; T349-K351 PolarHBondContact O-N 3.33Å
350G32Very low50.3Low70 Ų7086.7 Ų86.772%0.72251%0.505SS*.THydrogen-bonded Turntrans77.36.3168.900000116.3S347 A348S347-G350 PolarHBondContact O-N 2.89Å; S347-G350 VanDerWaalsContact O-N 3.13Å; A348-G350 VanDerWaalsContact C-N 3.28Å
351K31.7Very low48.2Very low189 Ų18986.8 Ų86.882%0.82251%0.507SS*.  trans-110.8-8.6-175.5-71-173.6178.8179.70115.4T349T349-K351 VanDerWaalsContact C-N 3.34Å; T349-K351 PolarHBondContact O-N 3.33Å
352A29.2Very low45.8Very low35 Ų3586 Ų8629%0.28951%0.51SS..SBendtrans-88.5124.8177.500000112A346 V354A346-A352 HydrophobicContact CB-CB 3.84Å; A346-A352 PolarHBondContact O-N 3.04Å; A352-V354 PolarHBondContact O-N 3.44Å
353H28.6Very low43.8Very low165 Ų16587.7 Ų87.776%0.76453%0.534SS*.  trans-60.2117.8163.7-79.6-79.6000108.4I355H353-I355 VanDerWaalsContact C-N 3.28Å; H353-I355 HydrophobicContact CB-CD1 4.14Å; H353-I355 HydrophobicContact CB-CG1 4.14Å; H353-I355 WeakPolarHBondContact O-CG1 3.37Å; H353-I355 PolarHBondContact O-N 3.43Å
354V27.1Very low42.5Very low120 Ų12087 Ų8773%0.72753%0.531SS*.  trans-66.384.5-178.6-166.90000109.2A352A352-V354 PolarHBondContact O-N 3.44Å
355I30.3Very low41.1Very low139 Ų13986.2 Ų86.271%0.71353%0.525SS*.  trans-92.5-14.4-176.1-69.6171.3000111.3H353H353-I355 VanDerWaalsContact C-N 3.28Å; H353-I355 HydrophobicContact CB-CD1 4.14Å; H353-I355 HydrophobicContact CB-CG1 4.14Å; H353-I355 WeakPolarHBondContact O-CG1 3.37Å; H353-I355 PolarHBondContact O-N 3.43Å
356K28.7Very low39.9Very low116 Ų11694 Ų9450%0.50455%0.548SS..  trans-135.496.6176-64.2-170.2-176.9174.60113.3
357S28.4Very low39.1Very low84 Ų84100.1 Ų100.159%0.58757%0.569SS**SBendtrans-78.7-17.5173.655.80000114.1
358H34.5Very low39.3Very low125 Ų12599.7 Ų99.758%0.57956%0.561SS**  trans-142.662.8-157.9-59-20.7000115.8
359H38.1Very low40.6Very low128 Ų128105.4 Ų105.459%0.59357%0.569SS**SBendtrans-108.6-23.4163.8-83.5-34000115.1
360N42.1Very low42.4Very low57 Ų57102.8 Ų102.831%0.30555%0.551SS.*SBendtrans-90.7154.4162.5-72.7-13.3000109.2Q334 T336 G362Q334-N360 PolarHBondContact OE1-ND2 3.37Å; T336-N360 PolarHBondContact OG1-ND2 3.41Å; T336-N360 PolarHBondContact OG1-OD1 3.13Å; N360-G362 VanDerWaalsContact C-N 3.32Å; N360-G362 VanDerWaalsContact O-CA 3.3Å; N360-G362 WeakPolarHBondContact O-CA 3.02Å; N360-G362 PolarHBondContact O-N 3.26Å
361V44.2Very low45.2Very low32 Ų32100.7 Ų100.719%0.19453%0.529CS..  trans-45.597.8179.8-170.30000108.7V316 G363 L364V316-V361 HydrophobicContact CG2-CG1 4.05Å; V361-G363 PolarHBondContact O-N 2.68Å; V361-G363 VanDerWaalsContact O-N 3.16Å; V361-L364 HydrophobicContact CB-CD2 4.24Å; V361-L364 HydrophobicContact CB-CG 4.29Å; V361-L364 HydrophobicContact CG1-CD2 3.83Å; V361-L364 HydrophobicContact CG1-CG 4.24Å
362G37.4Very low48.1Very low38 Ų3895.4 Ų95.439%0.39251%0.51SS..THydrogen-bonded Turntrans-77.3110.2-161.800000108.5N360N360-G362 VanDerWaalsContact C-N 3.32Å; N360-G362 VanDerWaalsContact O-CA 3.3Å; N360-G362 WeakPolarHBondContact O-CA 3.02Å; N360-G362 PolarHBondContact O-N 3.26Å
363G44.6Very low51.3Low61 Ų6193.8 Ų93.863%0.62950%0.496SS*.THydrogen-bonded Turntrans87.644.4176.200000114.3V361V361-G363 PolarHBondContact O-N 2.68Å; V361-G363 VanDerWaalsContact O-N 3.16Å
364L49.7Very low54.5Low48 Ų4888.6 Ų88.625%0.25147%0.472SS..  trans-51.2129.2159.2-64.2162.8000107.8L332 V361 K366 M368L332-L364 HydrophobicContact CD2-CD1 3.27Å; L332-L364 HydrophobicContact CD2-CD2 3.71Å; L332-L364 HydrophobicContact CD2-CG 4.13Å; V361-L364 HydrophobicContact CB-CD2 4.24Å; V361-L364 HydrophobicContact CB-CG 4.29Å; V361-L364 HydrophobicContact CG1-CD2 3.83Å; V361-L364 HydrophobicContact CG1-CG 4.24Å; L364-K366 PolarHBondContact O-N 3.25Å; L364-M368 HydrophobicContact CB-SD 4.42Å; L364-M368 HydrophobicContact CD2-CE 4.38Å; L364-M368 HydrophobicContact CD2-SD 3.6Å; L364-M368 VanDerWaalsContact CD2-SD 3.6Å; L364-M368 HydrophobicContact CG-SD 4.5Å
365P46Very low57.8Low57 Ų5783.7 Ų83.737%0.3744%0.443SS..  trans-52.9139.5178.9-22.630.3000109.5D320 E367 M368D320-P365 WeakPolarHBondContact OD2-CD 3.32Å; P365-E367 PolarHBondContact O-N 2.96Å; P365-M368 PolarHBondContact O-N 3.19Å
366K52.2Low61Low223 Ų22377.1 Ų77.197%0.9741%0.409SS*.THydrogen-bonded Turntrans-52.9-13.6174.2-77.1-173.6176.4-1780113.5L364L364-K366 PolarHBondContact O-N 3.25Å
367E49.2Very low64.2Low168 Ų16876.1 Ų76.179%0.78541%0.405SS*.THydrogen-bonded Turntrans-89.7-8.8-178.7-56.2-170.3176.900114.4P365 K369P365-E367 PolarHBondContact O-N 2.96Å; E367-K369 PolarHBondContact O-N 3.11Å; E367-K369 VanDerWaalsContact O-N 3.13Å
368M59.2Low67.5Low52 Ų5273.5 Ų73.526%0.25638%0.383SS..  trans-68.4112.8177.5-101.4-165.4179.200111.1D320 A323 L364 P365 M370D320-M368 HydrophobicContact CB-CE 4.33Å; D320-M368 WeakPolarHBondContact OD1-CE 3.34Å; A323-M368 HydrophobicContact CB-CE 4.29Å; L364-M368 HydrophobicContact CB-SD 4.42Å; L364-M368 HydrophobicContact CD2-CE 4.38Å; L364-M368 HydrophobicContact CD2-SD 3.6Å; L364-M368 VanDerWaalsContact CD2-SD 3.6Å; L364-M368 HydrophobicContact CG-SD 4.5Å; P365-M368 PolarHBondContact O-N 3.19Å; M368-M370 HydrophobicContact CE-CE 3.65Å; M368-M370 HydrophobicContact CG-CE 4.04Å; M368-M370 PolarHBondContact O-N 2.56Å; M368-M370 HydrophobicContact SD-CE 3.23Å; M368-M370 WeakPolarHBondContact SD-CE 3.45Å
369K73.5Confident70.5Confident209 Ų20967.8 Ų67.891%0.90936%0.357SS*.  trans-80.917.1-176.3-62-177.2179.5175.50114.5E367E367-K369 PolarHBondContact O-N 3.11Å; E367-K369 VanDerWaalsContact O-N 3.13Å
370M83.7Confident73.3Confident43 Ų4361.8 Ų61.821%0.21233%0.329CS..PPolyproline II helixtrans-90.6143.1-175.4-67.8-175.3-72.700111.5I231 V329 K330 L332 M368I231-M370 HydrophobicContact CD1-CE 3.9Å; I231-M370 HydrophobicContact CD1-SD 3.9Å; I231-M370 HydrophobicContact CG1-SD 4.14Å; V329-M370 HydrophobicContact CB-SD 4.46Å; V329-M370 HydrophobicContact CG1-SD 3.51Å; V329-M370 VanDerWaalsContact CG1-SD 3.51Å; K330-M370 CarbonylContact O-C 3.54Å; K330-M370 VanDerWaalsContact O-CA 3.22Å; K330-M370 WeakPolarHBondContact O-CA 3.25Å; K330-M370 WeakPolarHBondContact O-CB 3.31Å; L332-M370 HydrophobicContact CB-CB 4.4Å; L332-M370 HydrophobicContact CB-CE 4.19Å; L332-M370 HydrophobicContact CB-SD 4.39Å; M368-M370 HydrophobicContact CE-CE 3.65Å; M368-M370 HydrophobicContact CG-CE 4.04Å; M368-M370 PolarHBondContact O-N 2.56Å; M368-M370 HydrophobicContact SD-CE 3.23Å; M368-M370 WeakPolarHBondContact SD-CE 3.45Å
371G91.1Very high75.7Confident26 Ų2662 Ų6227%0.26833%0.328SS..EExtended strand (participates in β ladder)trans-72.2160.2165.300000111.3K330 W331 L332K330-G371 PolarHBondContact O-N 3.08Å; W331-G371 CarbonylContact C-O 3.51Å; W331-G371 WeakPolarHBondContact CA-O 3.17Å; W331-G371 VanDerWaalsContact CE3-C 3.41Å; L332-G371 PolarHBondContact N-O 3.21Å
372L93.1Very high78Confident78 Ų7861.8 Ų61.841%0.40833%0.325SS..EExtended strand (participates in β ladder)trans-100.8139.5175.8-82.7170.1000111.8Q224 L332 Q334Q224-L372 PolarHBondContact NE2-O 3.36Å; L332-L372 HydrophobicContact CB-CD2 4.34Å; L332-L372 HydrophobicContact CD2-CD2 4.26Å; L332-L372 HydrophobicContact CG-CD2 4.31Å; L332-L372 WeakPolarHBondContact O-CA 3.31Å; Q334-L372 HydrophobicContact CG-CD2 4.03Å
373V95.3Very high80.9Confident1 Ų160.7 Ų60.71%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-123112.8170.6-175.70000108.3I221 V225 L247 W331 L332 A333 Q334 P375I221-V373 HydrophobicContact CG1-CG1 4.44Å; V225-V373 HydrophobicContact CG2-CG2 3.79Å; L247-V373 HydrophobicContact CD2-CG1 4.07Å; W331-V373 HydrophobicContact CB-CG2 3.93Å; W331-V373 HydrophobicContact CD2-CG2 3.91Å; W331-V373 HydrophobicContact CE3-CG2 3.55Å; W331-V373 HydrophobicContact CG-CG2 4.08Å; W331-V373 HydrophobicContact CZ3-CG2 4.37Å; L332-V373 PolarHBondContact O-N 2.84Å; A333-V373 CarbonylContact C-O 3.53Å; A333-V373 VanDerWaalsContact CA-O 3.25Å; A333-V373 WeakPolarHBondContact CA-O 3.4Å; Q334-V373 PolarHBondContact N-O 2.97Å; V373-P375 HydrophobicContact CG1-CG 4Å; V373-P375 WeakPolarHBondContact O-CD 3.38Å
374E96.4Very high83.4Confident56 Ų5657.8 Ų57.826%0.26228%0.28SS..  trans-12276.2-176.8-63.7173.2122.300110.2Q334 T336 L376 K377Q334-E374 HydrophobicContact CB-CG 4.29Å; T336-E374 PolarHBondContact OG1-OE1 3.33Å; E374-L376 PolarHBondContact O-N 3.28Å; E374-L376 VanDerWaalsContact O-N 3.15Å; E374-K377 HydrophobicContact CB-CB 4.17Å; E374-K377 HydrophobicContact CB-CD 4.47Å; E374-K377 WeakPolarHBondContact O-CG 3.4Å; E374-K377 PolarHBondContact O-N 2.86Å
375P97.1Very high85.5Confident17 Ų1758.4 Ų58.411%0.1128%0.279CS..THydrogen-bonded Turntrans-65.9-21.2-169.9-22.134.6000114.6I221 T243 L246 L247 V373I221-P375 HydrophobicContact CD1-CB 3.99Å; I221-P375 HydrophobicContact CD1-CG 3.94Å; I221-P375 HydrophobicContact CG1-CB 4.44Å; I221-P375 HydrophobicContact CG1-CG 4.23Å; T243-P375 HydrophobicContact CG2-CG 4.25Å; L246-P375 HydrophobicContact CD1-CB 4.02Å; L247-P375 HydrophobicContact CD2-CG 4.28Å; V373-P375 HydrophobicContact CG1-CG 4Å; V373-P375 WeakPolarHBondContact O-CD 3.38Å
376L97.3Very high88Confident0 Ų059.7 Ų59.70%028%0.279CS..THydrogen-bonded Turntrans-98.41.2-173.7-52.2-176.3000113D239 V242 T243 L246 T336 I337 E374 E378 L379 V384 I387D239-L376 HydrophobicContact CB-CD1 4.25Å; D239-L376 WeakPolarHBondContact O-CD1 3.29Å; V242-L376 HydrophobicContact CB-CD1 4.38Å; V242-L376 HydrophobicContact CG1-CD1 4.49Å; V242-L376 HydrophobicContact CG1-CD2 4.05Å; T243-L376 WeakPolarHBondContact OG1-CD1 3.49Å; T243-L376 WeakPolarHBondContact OG1-CG 3.42Å; L246-L376 HydrophobicContact CD1-CD2 3.53Å; T336-L376 CarbonylContact O-C 3.53Å; T336-L376 WeakPolarHBondContact O-CB 3.45Å; I337-L376 HydrophobicContact CG2-CB 4.07Å; I337-L376 HydrophobicContact CG2-CD1 4.44Å; E374-L376 PolarHBondContact O-N 3.28Å; E374-L376 VanDerWaalsContact O-N 3.15Å; L376-E378 PolarHBondContact O-N 2.6Å; L376-L379 HydrophobicContact CD2-CD1 4.04Å; L376-L379 WeakPolarHBondContact O-CB 3.44Å; L376-L379 PolarHBondContact O-N 2.82Å; L376-V384 HydrophobicContact CB-CG2 4.39Å; L376-V384 HydrophobicContact CD1-CG1 4.02Å; L376-V384 HydrophobicContact CD1-CG2 4.13Å; L376-V384 HydrophobicContact CD2-CG2 4.47Å; L376-I387 HydrophobicContact CD2-CD1 3.9Å
377K96.1Very high90.1Very high96 Ų9649.1 Ų49.142%0.41723%0.233SC..THydrogen-bonded Turntrans-60.2-18.7-169.675.1179.4-175.9175.40114.7T336 Y338 V341 E374T336-K377 VanDerWaalsContact O-CA 3.3Å; T336-K377 WeakPolarHBondContact O-CA 3.47Å; T336-K377 PolarHBondContact O-N 2.98Å; T336-K377 VanDerWaalsContact O-N 3.07Å; Y338-K377 VanDerWaalsContact CA-O 3.23Å; Y338-K377 WeakPolarHBondContact CA-O 3.31Å; Y338-K377 WeakPolarHBondContact CB-O 3.25Å; Y338-K377 VanDerWaalsContact CD2-O 3.28Å; Y338-K377 WeakPolarHBondContact CD2-O 3.3Å; Y338-K377 PolarHBondContact N-O 3.04Å; V341-K377 HydrophobicContact CG2-CB 4.12Å; E374-K377 HydrophobicContact CB-CB 4.17Å; E374-K377 HydrophobicContact CB-CD 4.47Å; E374-K377 WeakPolarHBondContact O-CG 3.4Å; E374-K377 PolarHBondContact O-N 2.86Å
378E96.8Very high92.4Very high28 Ų2841.1 Ų41.113%0.13120%0.195CC..THydrogen-bonded Turntrans-96.8-2.7178.4-75.6167-161.200113.5H6 R28 Y33 R220 L376H6-E378 IonicContact CD2-OE2 2.72Å; H6-E378 IonicContact CE1-OE2 3.61Å; H6-E378 IonicContact NE2-OE2 3.32Å; H6-E378 PolarHBondContact NE2-OE2 2.91Å; R28-E378 VanDerWaalsContact CZ-O 3.27Å; R28-E378 PolarHBondContact NH1-O 3.28Å; R28-E378 PolarHBondContact NH2-O 3.32Å; Y33-E378 HydrophobicContact CE2-CB 4.44Å; R220-E378 IonicContact CZ-OE1 2.84Å; R220-E378 IonicContact CZ-OE2 3.85Å; R220-E378 IonicContact NH1-OE1 3.94Å; R220-E378 PolarHBondContact NH1-OE1 2.9Å; R220-E378 IonicContact NH1-OE2 2.75Å; R220-E378 PolarHBondContact NH1-OE2 2.86Å; R220-E378 VanDerWaalsContact NH1-OE2 3.09Å; R220-E378 IonicContact NH2-OE1 2.62Å; R220-E378 IonicContact NH2-OE2 3.79Å; R220-E378 PolarHBondContact NH2-OE2 2.82Å; L376-E378 PolarHBondContact O-N 2.6Å
379L97.6Very high94.2Very high5 Ų541.9 Ų41.93%0.02620%0.2CC..  trans-109.9141.4-169.7-53.8-177000112.7W208 I213 Y338 L376 E383 V384 I387W208-L379 HydrophobicContact CZ2-CD2 3.7Å; I213-L379 HydrophobicContact CD1-CD2 4.43Å; I213-L379 HydrophobicContact CG2-CD1 4.04Å; I213-L379 HydrophobicContact CG2-CD2 3.9Å; Y338-L379 WeakPolarHBondContact CB-O 3.24Å; Y338-L379 PolarHBondContact N-O 3.19Å; L376-L379 HydrophobicContact CD2-CD1 4.04Å; L376-L379 WeakPolarHBondContact O-CB 3.44Å; L376-L379 PolarHBondContact O-N 2.82Å; L379-E383 HydrophobicContact CB-CB 4.26Å; L379-V384 HydrophobicContact CB-CG2 3.92Å; L379-V384 HydrophobicContact CD1-CG2 4.45Å; L379-I387 HydrophobicContact CD1-CD1 3.54Å
380F95.9Very high95.3Very high3 Ų337.9 Ų37.91%0.01318%0.184CC..  trans-77.7161.7164.5-71.3-79.9000111.6A24 R25 R28 Y338 P339 D382 E383 V384A24-F380 HydrophobicContact CB-CE2 3.88Å; A24-F380 HydrophobicContact CB-CZ 3.65Å; R25-F380 HydrophobicContact CG-CB 4.31Å; R25-F380 HydrophobicContact CG-CD1 3.76Å; R25-F380 HydrophobicContact CG-CD2 3.87Å; R25-F380 HydrophobicContact CG-CE1 3.97Å; R25-F380 HydrophobicContact CG-CE2 4.06Å; R25-F380 HydrophobicContact CG-CG 3.71Å; R25-F380 HydrophobicContact CG-CZ 4.11Å; R28-F380 HydrophobicContact CG-CD2 4.06Å; R28-F380 HydrophobicContact CG-CE2 4.16Å; Y338-F380 HydrophobicContact CD1-CD2 4.39Å; Y338-F380 HydrophobicContact CD1-CE1 4.18Å; Y338-F380 AromaticContact CD1-CE2 3.78Å; Y338-F380 HydrophobicContact CD1-CE2 3.78Å; Y338-F380 AromaticContact CD1-CZ 3.65Å; Y338-F380 HydrophobicContact CD1-CZ 3.65Å; Y338-F380 HydrophobicContact CE1-CE2 4.28Å; Y338-F380 HydrophobicContact CE1-CZ 4.1Å; P339-F380 HydrophobicContact CG-CD1 3.81Å; P339-F380 HydrophobicContact CG-CE1 4.2Å; F380-D382 VanDerWaalsContact C-N 3.28Å; F380-D382 WeakPolarHBondContact CB-OD1 3.18Å; F380-D382 PolarHBondContact O-N 3.49Å; F380-E383 WeakPolarHBondContact CD2-OE2 3.45Å; F380-E383 PolarHBondContact N-OE2 2.94Å; F380-E383 WeakPolarHBondContact O-CB 3.25Å; F380-E383 PolarHBondContact O-N 2.69Å; F380-E383 VanDerWaalsContact O-N 3.08Å; F380-V384 WeakPolarHBondContact O-CG2 3.17Å; F380-V384 PolarHBondContact O-N 3.47Å
381K93.4Very high95.9Very high62 Ų6236.8 Ų36.827%0.2718%0.179SC..Hα-helixtrans-59.5-35.5-176.1-167.869.6170.2-174.20113.7D239 I337 R385D239-K381 WeakPolarHBondContact OD1-CD 3.33Å; D239-K381 WeakPolarHBondContact OD1-CE 3.3Å; D239-K381 IonicContact OD1-NZ 2.8Å; D239-K381 PolarHBondContact OD1-NZ 3.18Å; D239-K381 IonicContact OD2-NZ 2.86Å; D239-K381 PolarHBondContact OD2-NZ 3.49Å; I337-K381 HydrophobicContact CD1-CB 4.29Å; I337-K381 HydrophobicContact CD1-CD 4.04Å; K381-R385 WeakPolarHBondContact O-CG 3.07Å; K381-R385 PolarHBondContact O-N 2.96Å; K381-R385 VanDerWaalsContact O-N 3.14Å
382D92.8Very high96.1Very high27 Ų2737.7 Ų37.714%0.14419%0.189CC..Hα-helixtrans-69.8-37.5175.446.65.5000112.4R25 F380 R385 K386R25-D382 IonicContact CZ-OD2 3.97Å; R25-D382 VanDerWaalsContact CZ-OD2 3.25Å; R25-D382 IonicContact NE-OD2 3.15Å; R25-D382 PolarHBondContact NE-OD2 3.21Å; R25-D382 IonicContact NH2-OD2 2.71Å; R25-D382 PolarHBondContact NH2-OD2 3.11Å; F380-D382 VanDerWaalsContact C-N 3.28Å; F380-D382 WeakPolarHBondContact CB-OD1 3.18Å; F380-D382 PolarHBondContact O-N 3.49Å; D382-R385 PolarHBondContact O-N 3.07Å; D382-K386 WeakPolarHBondContact O-CG 3.02Å; D382-K386 PolarHBondContact O-N 2.96Å; D382-K386 VanDerWaalsContact O-N 3.11Å
383E97.6Very high96.2Very high14 Ų1434.2 Ų34.27%0.06517%0.171CC..Hα-helixtrans-64.5-43.7170.8-62.4174.9109.300111.5R28 W208 L379 F380 R385 K386 I387R28-E383 WeakPolarHBondContact CB-OE1 3.5Å; R28-E383 IonicContact CZ-OE2 2.86Å; R28-E383 IonicContact NH1-OE1 3.73Å; R28-E383 PolarHBondContact NH1-OE1 2.72Å; R28-E383 VanDerWaalsContact NH1-OE1 3.11Å; R28-E383 IonicContact NH1-OE2 3.31Å; R28-E383 PolarHBondContact NH1-OE2 2.89Å; W208-E383 PolarHBondContact NE1-OE1 2.97Å; L379-E383 HydrophobicContact CB-CB 4.26Å; F380-E383 WeakPolarHBondContact CD2-OE2 3.45Å; F380-E383 PolarHBondContact N-OE2 2.94Å; F380-E383 WeakPolarHBondContact O-CB 3.25Å; F380-E383 PolarHBondContact O-N 2.69Å; F380-E383 VanDerWaalsContact O-N 3.08Å; E383-R385 VanDerWaalsContact C-N 3.28Å; E383-R385 PolarHBondContact O-N 2.99Å; E383-K386 PolarHBondContact O-N 3.06Å; E383-I387 WeakPolarHBondContact O-CG1 3.07Å; E383-I387 PolarHBondContact O-N 2.97Å
384V96.9Very high96Very high0 Ų037.1 Ų37.10%019%0.189CC..Hα-helixtrans-55.5-43.6175174.80000110.9V238 V242 I337 L376 L379 F380 I387 G388V238-V384 HydrophobicContact CG1-CG1 4.13Å; V242-V384 HydrophobicContact CB-CG1 3.84Å; V242-V384 HydrophobicContact CG1-CG1 4.06Å; V242-V384 HydrophobicContact CG2-CG1 3.69Å; I337-V384 HydrophobicContact CG2-CG2 3.85Å; L376-V384 HydrophobicContact CB-CG2 4.39Å; L376-V384 HydrophobicContact CD1-CG1 4.02Å; L376-V384 HydrophobicContact CD1-CG2 4.13Å; L376-V384 HydrophobicContact CD2-CG2 4.47Å; L379-V384 HydrophobicContact CB-CG2 3.92Å; L379-V384 HydrophobicContact CD1-CG2 4.45Å; F380-V384 WeakPolarHBondContact O-CG2 3.17Å; F380-V384 PolarHBondContact O-N 3.47Å; V384-I387 WeakPolarHBondContact O-CG1 2.95Å; V384-G388 PolarHBondContact O-N 2.8Å
385R95.5Very high95.8Very high62 Ų6239.6 Ų39.623%0.23420%0.197CC..Hα-helixtrans-62.2-45174.8-70.2-179.4-177.4122.8-6.7112.3V238 K381 D382 E383 G388 L389 L398 Y399V238-R385 HydrophobicContact CG1-CG 4.16Å; K381-R385 WeakPolarHBondContact O-CG 3.07Å; K381-R385 PolarHBondContact O-N 2.96Å; K381-R385 VanDerWaalsContact O-N 3.14Å; D382-R385 PolarHBondContact O-N 3.07Å; E383-R385 VanDerWaalsContact C-N 3.28Å; E383-R385 PolarHBondContact O-N 2.99Å; R385-G388 PolarHBondContact O-N 3.18Å; R385-L389 PolarHBondContact O-N 2.99Å; R385-L389 VanDerWaalsContact O-N 3.09Å; R385-L398 WeakPolarHBondContact CD-O 3.26Å; R385-L398 HydrophobicContact CG-CB 4.4Å; R385-L398 WeakPolarHBondContact CG-O 3.36Å; R385-L398 PolarHBondContact NE-O 3.01Å; R385-Y399 HydrophobicContact CB-CE2 4.17Å
386K97Very high95.4Very high84 Ų8443 Ų4337%0.36521%0.214SC..Hα-helixtrans-62-45.1179.7-70.5172.4-176.7175.60112P210 D382 E383 G388 L389 E390P210-K386 HydrophobicContact CG-CB 4.03Å; D382-K386 WeakPolarHBondContact O-CG 3.02Å; D382-K386 PolarHBondContact O-N 2.96Å; D382-K386 VanDerWaalsContact O-N 3.11Å; E383-K386 PolarHBondContact O-N 3.06Å; K386-G388 VanDerWaalsContact C-N 3.29Å; K386-G388 PolarHBondContact O-N 3.02Å; K386-L389 PolarHBondContact O-N 2.7Å; K386-E390 PolarHBondContact O-N 3.23Å
387I97.7Very high95Very high1 Ų143.3 Ų43.31%0.00522%0.216CC..Hα-helixtrans-69.1-30.3176.163.6164.4000111.8P210 I213 I214 V242 L246 L376 L379 E383 V384 L389 E390 L391P210-I387 HydrophobicContact CB-CG2 3.97Å; I213-I387 HydrophobicContact CB-CG2 4.45Å; I213-I387 HydrophobicContact CG2-CG2 4.19Å; I214-I387 HydrophobicContact CD1-CB 4.08Å; I214-I387 HydrophobicContact CD1-CG2 4.42Å; I214-I387 HydrophobicContact CG1-CB 3.95Å; I214-I387 HydrophobicContact CG1-CG2 4.09Å; V242-I387 HydrophobicContact CG1-CD1 3.53Å; V242-I387 HydrophobicContact CG1-CG1 3.71Å; L246-I387 HydrophobicContact CD1-CD1 4.1Å; L376-I387 HydrophobicContact CD2-CD1 3.9Å; L379-I387 HydrophobicContact CD1-CD1 3.54Å; E383-I387 WeakPolarHBondContact O-CG1 3.07Å; E383-I387 PolarHBondContact O-N 2.97Å; V384-I387 WeakPolarHBondContact O-CG1 2.95Å; I387-L389 VanDerWaalsContact C-N 3.32Å; I387-L389 PolarHBondContact O-N 2.86Å; I387-E390 PolarHBondContact O-N 3.05Å; I387-L391 WeakPolarHBondContact O-CB 3.32Å; I387-L391 WeakPolarHBondContact O-CD1 3.42Å; I387-L391 VanDerWaalsContact O-CG 3.24Å; I387-L391 WeakPolarHBondContact O-CG 3.5Å; I387-L391 PolarHBondContact O-N 3.48Å
388G97.1Very high94.7Very high0 Ų038.8 Ų38.80%020%0.196CC..Hα-helixtrans-59.3-42.9172.700000112.1V384 R385 K386 L391 G392 L393 L398V384-G388 PolarHBondContact O-N 2.8Å; R385-G388 PolarHBondContact O-N 3.18Å; K386-G388 VanDerWaalsContact C-N 3.29Å; K386-G388 PolarHBondContact O-N 3.02Å; G388-L391 PolarHBondContact O-N 2.97Å; G388-G392 PolarHBondContact O-N 2.9Å; G388-L393 VanDerWaalsContact O-CB 3.32Å; G388-L393 WeakPolarHBondContact O-CB 3.41Å; G388-L393 PolarHBondContact O-N 2.99Å; G388-L398 VanDerWaalsContact C-CD1 3.47Å
389L97Very high94.4Very high67 Ų6740.7 Ų40.735%0.35120%0.203SC..Hα-helixtrans-62.2-45.7175.7-71.7172000111.4R385 K386 I387 L391 G392 Y395 L398 Y399R385-L389 PolarHBondContact O-N 2.99Å; R385-L389 VanDerWaalsContact O-N 3.09Å; K386-L389 PolarHBondContact O-N 2.7Å; I387-L389 VanDerWaalsContact C-N 3.32Å; I387-L389 PolarHBondContact O-N 2.86Å; L389-L391 VanDerWaalsContact C-N 3.25Å; L389-L391 PolarHBondContact O-N 3.04Å; L389-G392 WeakPolarHBondContact O-CA 3.49Å; L389-G392 PolarHBondContact O-N 2.96Å; L389-Y395 HydrophobicContact CD1-CD2 4.36Å; L389-Y395 HydrophobicContact CD2-CD2 4Å; L389-L398 HydrophobicContact CB-CD1 4.25Å; L389-L398 HydrophobicContact CD2-CD1 3.59Å; L389-L398 HydrophobicContact CG-CD1 3.58Å; L389-L398 VanDerWaalsContact N-CD1 3.29Å; L389-Y399 HydrophobicContact CD1-CE2 4.1Å
390E96.6Very high94Very high125 Ų12542 Ų4258%0.58421%0.208SC*.Hα-helixtrans-64-29.4176.6-75-65.4157.700113.1P210 I214 K386 I387 G392P210-E390 HydrophobicContact CB-CG 3.87Å; I214-E390 HydrophobicContact CD1-CB 3.51Å; I214-E390 HydrophobicContact CD1-CG 4.48Å; K386-E390 PolarHBondContact O-N 3.23Å; I387-E390 PolarHBondContact O-N 3.05Å; E390-G392 PolarHBondContact O-N 2.92Å
391L96.4Very high93.8Very high20 Ų2042.7 Ų42.711%0.10521%0.211CC..THydrogen-bonded Turntrans-77.4-0.6172.7-70.1165.5000113.2I214 V242 M245 L246 I387 G388 L389I214-L391 HydrophobicContact CD1-CD2 4.23Å; I214-L391 HydrophobicContact CD1-CG 3.97Å; I214-L391 HydrophobicContact CG1-CG 4.43Å; I214-L391 HydrophobicContact CG2-CD2 3.94Å; V242-L391 HydrophobicContact CG1-CD1 4.07Å; M245-L391 HydrophobicContact CB-CB 4.13Å; M245-L391 HydrophobicContact CB-CD1 3.93Å; M245-L391 HydrophobicContact CB-CG 4.44Å; L246-L391 HydrophobicContact CD2-CD1 3.88Å; L246-L391 HydrophobicContact CD2-CD2 4.31Å; L246-L391 HydrophobicContact CG-CD1 3.84Å; I387-L391 WeakPolarHBondContact O-CB 3.32Å; I387-L391 WeakPolarHBondContact O-CD1 3.42Å; I387-L391 VanDerWaalsContact O-CG 3.24Å; I387-L391 WeakPolarHBondContact O-CG 3.5Å; I387-L391 PolarHBondContact O-N 3.48Å; G388-L391 PolarHBondContact O-N 2.97Å; L389-L391 VanDerWaalsContact C-N 3.25Å; L389-L391 PolarHBondContact O-N 3.04Å
392G95.1Very high93.5Very high46 Ų4643.4 Ų43.447%0.47422%0.222SC..THydrogen-bonded Turntrans86.99.8177.600000114.6F281 G388 L389 E390F281-G392 WeakPolarHBondContact CZ-O 3.23Å; G388-G392 PolarHBondContact O-N 2.9Å; L389-G392 WeakPolarHBondContact O-CA 3.49Å; L389-G392 PolarHBondContact O-N 2.96Å; E390-G392 PolarHBondContact O-N 2.92Å
393L94.5Very high93.4Very high5 Ų544.6 Ų44.63%0.02623%0.226CC..  trans-69.6142.6176.4-68.8171000111V242 M245 F277 F281 G388 M397 L398V242-L393 HydrophobicContact CG2-CD1 3.92Å; M245-L393 HydrophobicContact CG-CD1 3.9Å; M245-L393 HydrophobicContact CG-CD2 3.74Å; M245-L393 HydrophobicContact CG-CG 3.86Å; M245-L393 HydrophobicContact SD-CD2 4.31Å; F277-L393 HydrophobicContact CE1-CD2 3.81Å; F277-L393 HydrophobicContact CZ-CD2 4.14Å; F281-L393 HydrophobicContact CE2-CD2 3.79Å; F281-L393 HydrophobicContact CZ-CD2 4.17Å; G388-L393 VanDerWaalsContact O-CB 3.32Å; G388-L393 WeakPolarHBondContact O-CB 3.41Å; G388-L393 PolarHBondContact O-N 2.99Å; L393-M397 HydrophobicContact CD2-SD 4.05Å; L393-L398 HydrophobicContact CB-CD1 3.97Å; L393-L398 HydrophobicContact CB-CD2 4.05Å; L393-L398 HydrophobicContact CB-CG 4.07Å; L393-L398 HydrophobicContact CD1-CD2 3.91Å
394P92.1Very high93Very high61 Ų6145.5 Ų45.540%0.39623%0.233SC..  trans-61.3139.4-179.9-22.633000112.7M276 D396 M397 L398M276-P394 HydrophobicContact SD-CG 3.96Å; P394-D396 VanDerWaalsContact C-N 3.33Å; P394-D396 PolarHBondContact O-N 3.16Å; P394-M397 HydrophobicContact CB-CB 4.33Å; P394-M397 WeakPolarHBondContact O-CB 3.29Å; P394-M397 PolarHBondContact O-N 3.47Å; P394-L398 PolarHBondContact O-N 2.98Å
395Y92.2Very high92.5Very high108 Ų10848.5 Ų48.542%0.42426%0.264SS..Hα-helixtrans-53.5-48.8177.9-177.4-85.8000112.2L389 M397 L398 Y399L389-Y395 HydrophobicContact CD1-CD2 4.36Å; L389-Y395 HydrophobicContact CD2-CD2 4Å; Y395-M397 PolarHBondContact O-N 3.12Å; Y395-M397 VanDerWaalsContact O-N 3.14Å; Y395-L398 PolarHBondContact O-N 2.85Å; Y395-Y399 HydrophobicContact CD1-CD2 4.13Å; Y395-Y399 HydrophobicContact CD1-CG 4.39Å; Y395-Y399 AromaticContact CD2-CD2 3.61Å; Y395-Y399 HydrophobicContact CD2-CD2 3.61Å; Y395-Y399 AromaticContact CD2-CE2 3.71Å; Y395-Y399 HydrophobicContact CD2-CE2 3.71Å; Y395-Y399 HydrophobicContact CD2-CG 4.44Å; Y395-Y399 AromaticContact CE1-CD2 3.94Å; Y395-Y399 HydrophobicContact CE1-CD2 3.94Å; Y395-Y399 AromaticContact CE1-CG 3.84Å; Y395-Y399 HydrophobicContact CE1-CG 3.84Å; Y395-Y399 HydrophobicContact CE2-CD1 4.34Å; Y395-Y399 AromaticContact CE2-CD2 3.39Å; Y395-Y399 HydrophobicContact CE2-CD2 3.39Å; Y395-Y399 HydrophobicContact CE2-CE1 4.31Å; Y395-Y399 AromaticContact CE2-CE2 3.39Å; Y395-Y399 HydrophobicContact CE2-CE2 3.39Å; Y395-Y399 AromaticContact CE2-CG 3.91Å; Y395-Y399 HydrophobicContact CE2-CG 3.91Å; Y395-Y399 AromaticContact CE2-CZ 3.85Å; Y395-Y399 AromaticContact CG-CD2 3.97Å; Y395-Y399 HydrophobicContact CG-CD2 3.97Å; Y395-Y399 HydrophobicContact CG-CE2 4.49Å; Y395-Y399 AromaticContact CZ-CD1 3.95Å; Y395-Y399 AromaticContact CZ-CD2 3.57Å; Y395-Y399 AromaticContact CZ-CE2 3.95Å; Y395-Y399 AromaticContact CZ-CG 3.57Å; Y395-Y399 PolarHBondContact O-N 2.86Å
396D88Confident92.4Very high88 Ų8846.2 Ų46.247%0.47126%0.257SS..Hα-helixtrans-58.6-28.1179.5-77.524.6000113.8P394 R400 R436P394-D396 VanDerWaalsContact C-N 3.33Å; P394-D396 PolarHBondContact O-N 3.16Å; D396-R400 PolarHBondContact O-N 2.79Å; D396-R436 IonicContact OD2-CZ 3.81Å; D396-R436 IonicContact OD2-NH1 3.75Å; D396-R436 PolarHBondContact OD2-NH1 2.82Å; D396-R436 IonicContact OD2-NH2 3.98Å
397M88Confident92.3Very high8 Ų842.2 Ų42.24%0.03924%0.24CC..Hα-helixtrans-73.6-43.9174.2162.8175.6-13900111.2S241 M276 F277 L393 P394 Y395 R400S241-M397 WeakPolarHBondContact OG-CE 3.38Å; M276-M397 HydrophobicContact CE-CE 3.31Å; M276-M397 HydrophobicContact CE-SD 3.16Å; M276-M397 WeakPolarHBondContact CE-SD 3.3Å; M276-M397 HydrophobicContact SD-CE 4.5Å; M276-M397 HydrophobicContact SD-SD 3.63Å; M276-M397 VanDerWaalsContact SD-SD 3.63Å; F277-M397 HydrophobicContact CE2-CE 3.73Å; F277-M397 HydrophobicContact CZ-CE 3.72Å; F277-M397 HydrophobicContact CZ-SD 4.22Å; L393-M397 HydrophobicContact CD2-SD 4.05Å; P394-M397 HydrophobicContact CB-CB 4.33Å; P394-M397 WeakPolarHBondContact O-CB 3.29Å; P394-M397 PolarHBondContact O-N 3.47Å; Y395-M397 PolarHBondContact O-N 3.12Å; Y395-M397 VanDerWaalsContact O-N 3.14Å; M397-R400 VanDerWaalsContact O-CG 3.23Å; M397-R400 WeakPolarHBondContact O-CG 3.49Å; M397-R400 PolarHBondContact O-NE 3.35Å
398L91.2Very high92.3Very high0 Ų042.2 Ų42.20%024%0.24CC..Hα-helixtrans-76.3-35-173.4-64.1167.6000112.4V238 V242 R385 G388 L389 L393 P394 Y395V238-L398 HydrophobicContact CG1-CD2 4.11Å; V238-L398 WeakPolarHBondContact CG2-O 3.31Å; V242-L398 HydrophobicContact CG2-CD2 3.91Å; R385-L398 WeakPolarHBondContact CD-O 3.26Å; R385-L398 HydrophobicContact CG-CB 4.4Å; R385-L398 WeakPolarHBondContact CG-O 3.36Å; R385-L398 PolarHBondContact NE-O 3.01Å; G388-L398 VanDerWaalsContact C-CD1 3.47Å; L389-L398 HydrophobicContact CB-CD1 4.25Å; L389-L398 HydrophobicContact CD2-CD1 3.59Å; L389-L398 HydrophobicContact CG-CD1 3.58Å; L389-L398 VanDerWaalsContact N-CD1 3.29Å; L393-L398 HydrophobicContact CB-CD1 3.97Å; L393-L398 HydrophobicContact CB-CD2 4.05Å; L393-L398 HydrophobicContact CB-CG 4.07Å; L393-L398 HydrophobicContact CD1-CD2 3.91Å; P394-L398 PolarHBondContact O-N 2.98Å; Y395-L398 PolarHBondContact O-N 2.85Å
399Y90.2Very high92.3Very high69 Ų6942.2 Ų42.227%0.27124%0.24SC..SBendtrans-97.512.6178.8-70-98000112.6R385 L389 Y395R385-Y399 HydrophobicContact CB-CE2 4.17Å; L389-Y399 HydrophobicContact CD1-CE2 4.1Å; Y395-Y399 HydrophobicContact CD1-CD2 4.13Å; Y395-Y399 HydrophobicContact CD1-CG 4.39Å; Y395-Y399 AromaticContact CD2-CD2 3.61Å; Y395-Y399 HydrophobicContact CD2-CD2 3.61Å; Y395-Y399 AromaticContact CD2-CE2 3.71Å; Y395-Y399 HydrophobicContact CD2-CE2 3.71Å; Y395-Y399 HydrophobicContact CD2-CG 4.44Å; Y395-Y399 AromaticContact CE1-CD2 3.94Å; Y395-Y399 HydrophobicContact CE1-CD2 3.94Å; Y395-Y399 AromaticContact CE1-CG 3.84Å; Y395-Y399 HydrophobicContact CE1-CG 3.84Å; Y395-Y399 HydrophobicContact CE2-CD1 4.34Å; Y395-Y399 AromaticContact CE2-CD2 3.39Å; Y395-Y399 HydrophobicContact CE2-CD2 3.39Å; Y395-Y399 HydrophobicContact CE2-CE1 4.31Å; Y395-Y399 AromaticContact CE2-CE2 3.39Å; Y395-Y399 HydrophobicContact CE2-CE2 3.39Å; Y395-Y399 AromaticContact CE2-CG 3.91Å; Y395-Y399 HydrophobicContact CE2-CG 3.91Å; Y395-Y399 AromaticContact CE2-CZ 3.85Å; Y395-Y399 AromaticContact CG-CD2 3.97Å; Y395-Y399 HydrophobicContact CG-CD2 3.97Å; Y395-Y399 HydrophobicContact CG-CE2 4.49Å; Y395-Y399 AromaticContact CZ-CD1 3.95Å; Y395-Y399 AromaticContact CZ-CD2 3.57Å; Y395-Y399 AromaticContact CZ-CE2 3.95Å; Y395-Y399 AromaticContact CZ-CG 3.57Å; Y395-Y399 PolarHBondContact O-N 2.86Å
400R89.8Confident92.4Very high33 Ų3340.6 Ų40.613%0.12523%0.232CC..SBendtrans-58145.2166.981174.273.9-169.3-8.3110.3G236 V238 R266 E269 D396 M397G236-R400 PolarHBondContact O-NH1 3.39Å; V238-R400 HydrophobicContact CG2-CG 4.4Å; R266-R400 VanDerWaalsContact NH2-NH1 3.15Å; E269-R400 IonicContact OE1-NH1 2.75Å; E269-R400 PolarHBondContact OE1-NH1 3.32Å; D396-R400 PolarHBondContact O-N 2.79Å; M397-R400 VanDerWaalsContact O-CG 3.23Å; M397-R400 WeakPolarHBondContact O-CG 3.49Å; M397-R400 PolarHBondContact O-NE 3.35Å
401H90.5Very high92.4Very high16 Ų1635.5 Ų35.57%0.07421%0.208CC..PPolyproline II helixtrans-57.2146.6167.8-65.7155.7000111.2F403 Y441 V444 S445 Q446 A447H401-F403 PolarHBondContact O-N 3.23Å; H401-Y441 AromaticContact CD2-CE1 3.98Å; H401-Y441 AromaticContact CD2-CZ 3.91Å; H401-Y441 AromaticContact CE1-CD2 3.68Å; H401-Y441 AromaticContact CE1-CE1 3.96Å; H401-Y441 AromaticContact CE1-CE2 3.41Å; H401-Y441 VanDerWaalsContact CE1-CE2 3.41Å; H401-Y441 WeakPolarHBondContact CE1-CE2 3.34Å; H401-Y441 AromaticContact CE1-CZ 3.57Å; H401-Y441 PolarHBondContact CE1-O 3.34Å; H401-Y441 AromaticContact CG-CZ 3.67Å; H401-Y441 PolarHBondContact N-OH 2.97Å; H401-Y441 AromaticContact ND1-CE2 3.43Å; H401-Y441 WeakPolarHBondContact ND1-CE2 3.44Å; H401-Y441 AromaticContact ND1-CZ 3.49Å; H401-Y441 AromaticContact NE2-CE1 3.81Å; H401-Y441 AromaticContact NE2-CZ 3.83Å; H401-Y441 PolarHBondContact NE2-O 3.29Å; H401-V444 PolarHBondContact NE2-O 3.27Å; H401-S445 PolarHBondContact CD2-O 3.07Å; H401-Q446 HydrophobicContact CB-CG 4.21Å; H401-A447 PolarHBondContact ND1-N 3.5Å
402P87.7Confident92.6Very high78 Ų7834.6 Ų34.651%0.50620%0.203SC..PPolyproline II helixtrans-58.1136177.323.4-32.2000110.7Q446P402-Q446 HydrophobicContact CG-CG 4.17Å; P402-Q446 PolarHBondContact O-NE2 2.96Å
403F90.2Very high92.7Very high52 Ų5236.5 Ų36.523%0.22820%0.202CC..  trans-112.8128.4175-170-114.9000108.9L265 R266 H401 G407 L408L265-F403 HydrophobicContact CD2-CE1 4.12Å; R266-F403 HydrophobicContact CG-CD2 4.29Å; R266-F403 HydrophobicContact CG-CE2 3.79Å; R266-F403 HydrophobicContact CG-CZ 4.09Å; H401-F403 PolarHBondContact O-N 3.23Å; F403-G407 VanDerWaalsContact CE1-CA 3.42Å; F403-L408 HydrophobicContact CE2-CD2 4.25Å; F403-L408 HydrophobicContact CZ-CD2 4.32Å; F403-L408 HydrophobicContact CZ-CG 4.38Å
404P89.8Confident92.8Very high32 Ų3237.2 Ų37.221%0.20821%0.211CC..  trans-67.1147.2-173.728.4-35000111.1P406 G407 V410P404-P406 HydrophobicContact CB-CG 4.41Å; P404-G407 VanDerWaalsContact O-CA 3.3Å; P404-G407 WeakPolarHBondContact O-CA 3.3Å; P404-G407 PolarHBondContact O-N 3.18Å; P404-V410 HydrophobicContact CB-CG2 4.16Å; P404-V410 HydrophobicContact CG-CG2 3.87Å
405G87Confident93.1Very high64 Ų6437.5 Ų37.566%0.6621%0.207SC*.THydrogen-bonded Turntrans-49-46.6174.300000114.8G407G405-G407 PolarHBondContact O-N 2.83Å
406P92.8Very high93.4Very high14 Ų1432.4 Ų32.49%0.09119%0.187CC..THydrogen-bonded Turntrans-75.77.2173.830.6-37.9000115.1R308 I311 P404 L408 G409 V410R308-P406 HydrophobicContact CG-CG 4.29Å; I311-P406 HydrophobicContact CB-CB 4.41Å; I311-P406 HydrophobicContact CD1-CB 3.59Å; I311-P406 HydrophobicContact CG2-CB 4.2Å; P404-P406 HydrophobicContact CB-CG 4.41Å; P406-L408 PolarHBondContact O-N 2.9Å; P406-G409 WeakPolarHBondContact O-CA 3.43Å; P406-G409 PolarHBondContact O-N 2.79Å; P406-V410 HydrophobicContact CB-CG1 3.95Å; P406-V410 HydrophobicContact CG-CB 4.37Å; P406-V410 HydrophobicContact CG-CG1 3.52Å; P406-V410 HydrophobicContact CG-CG2 3.91Å
407G95Very high93.9Very high0 Ų031.9 Ų31.90%018%0.18CC..G310 helixtrans51-133.1175.700000114.3L264 F403 P404 G405 G409 V410L264-G407 WeakPolarHBondContact O-CA 3.46Å; F403-G407 VanDerWaalsContact CE1-CA 3.42Å; P404-G407 VanDerWaalsContact O-CA 3.3Å; P404-G407 WeakPolarHBondContact O-CA 3.3Å; P404-G407 PolarHBondContact O-N 3.18Å; G405-G407 PolarHBondContact O-N 2.83Å; G407-G409 PolarHBondContact O-N 2.9Å; G407-V410 WeakPolarHBondContact O-CG2 3.28Å; G407-V410 PolarHBondContact O-N 3.41Å
408L97.6Very high94.4Very high1 Ų136 Ų361%0.00520%0.198CC..G310 helixtrans-66.4-13.5176-61.2-174.6000113.3L264 L265 F403 P406 V410 R411 V412 L424 R425L264-L408 HydrophobicContact CB-CB 4.49Å; L264-L408 WeakPolarHBondContact O-CG 3.36Å; L264-L408 PolarHBondContact O-N 3.11Å; L265-L408 WeakPolarHBondContact O-CD1 3.36Å; F403-L408 HydrophobicContact CE2-CD2 4.25Å; F403-L408 HydrophobicContact CZ-CD2 4.32Å; F403-L408 HydrophobicContact CZ-CG 4.38Å; P406-L408 PolarHBondContact O-N 2.9Å; L408-V410 PolarHBondContact O-N 3.42Å; L408-V410 VanDerWaalsContact O-N 3.12Å; L408-R411 HydrophobicContact CD2-CB 4.23Å; L408-R411 HydrophobicContact CD2-CG 4.36Å; L408-R411 CarbonylContact O-C 3.42Å; L408-R411 WeakPolarHBondContact O-CA 3.36Å; L408-R411 PolarHBondContact O-N 3.05Å; L408-V412 PolarHBondContact O-N 2.89Å; L408-L424 HydrophobicContact CB-CD2 4.47Å; L408-L424 HydrophobicContact CD2-CD2 4.01Å; L408-L424 HydrophobicContact CD2-CG 4.39Å; L408-R425 HydrophobicContact CD1-CG 3.66Å
409G97.8Very high94.7Very high0 Ų039.8 Ų39.80%022%0.216CC..G310 helixtrans-60.3-22.3177.100000114K307 P406 G407K307-G409 WeakPolarHBondContact CE-O 3.41Å; K307-G409 PolarHBondContact NZ-O 3Å; P406-G409 WeakPolarHBondContact O-CA 3.43Å; P406-G409 PolarHBondContact O-N 2.79Å; G407-G409 PolarHBondContact O-N 2.9Å
410V97.4Very high95.1Very high32 Ų3237.7 Ų37.719%0.19421%0.207CC..G310 helixtrans-105.94.8172.1-62.60000113.6R308 P404 P406 G407 L408R308-V410 HydrophobicContact CG-CG1 4.04Å; P404-V410 HydrophobicContact CB-CG2 4.16Å; P404-V410 HydrophobicContact CG-CG2 3.87Å; P406-V410 HydrophobicContact CB-CG1 3.95Å; P406-V410 HydrophobicContact CG-CB 4.37Å; P406-V410 HydrophobicContact CG-CG1 3.52Å; P406-V410 HydrophobicContact CG-CG2 3.91Å; G407-V410 WeakPolarHBondContact O-CG2 3.28Å; G407-V410 PolarHBondContact O-N 3.41Å; L408-V410 PolarHBondContact O-N 3.42Å; L408-V410 VanDerWaalsContact O-N 3.12Å
411R98.3Very high95.5Very high19 Ų1936.1 Ų36.17%0.07220%0.201CC..THydrogen-bonded Turntrans-109.5-14176.9-56.8-67.7-178.570.6-9.5112.5L408 L424 F448 V450 F451L408-R411 HydrophobicContact CD2-CB 4.23Å; L408-R411 HydrophobicContact CD2-CG 4.36Å; L408-R411 CarbonylContact O-C 3.42Å; L408-R411 WeakPolarHBondContact O-CA 3.36Å; L408-R411 PolarHBondContact O-N 3.05Å; R411-L424 HydrophobicContact CB-CD2 3.77Å; R411-F448 VanDerWaalsContact CD-CD2 3.47Å; R411-F448 VanDerWaalsContact CZ-CD1 3.46Å; R411-F448 VanDerWaalsContact NE-CE2 3.31Å; R411-F448 VanDerWaalsContact NH1-CD2 3.29Å; R411-F448 VanDerWaalsContact NH2-CE1 3.31Å; R411-V450 CarbonylContact O-C 3.59Å; R411-V450 WeakPolarHBondContact O-CA 3.1Å; R411-V450 WeakPolarHBondContact O-CG1 3.22Å; R411-F451 PolarHBondContact O-N 3.32Å
412V98.7Very high95.9Very high0 Ų038.2 Ų38.20%021%0.213CC..BIsolated β-bridgetrans-94116.7163.7179.90000108.2K307 L408 V416 Y420 L424 F451K307-V412 PolarHBondContact NZ-O 3.12Å; L408-V412 PolarHBondContact O-N 2.89Å; V412-V416 HydrophobicContact CB-CG2 4.36Å; V412-Y420 HydrophobicContact CG1-CD2 3.94Å; V412-Y420 HydrophobicContact CG1-CG 4.44Å; V412-L424 HydrophobicContact CG2-CD2 3.74Å; V412-F451 HydrophobicContact CG1-CD1 3.98Å; V412-F451 HydrophobicContact CG2-CB 4.2Å
413L98.2Very high96.4Very high87 Ų8736.6 Ų36.646%0.45520%0.2SC..  trans-74.3136.2177-62.1-168.4000110.9V450 F451 L452 P453L413-V450 HydrophobicContact CD2-CG1 4.23Å; L413-V450 HydrophobicContact CG-CG1 4Å; L413-F451 PolarHBondContact N-O 3.2Å; L413-F451 VanDerWaalsContact N-O 3.11Å; L413-L452 HydrophobicContact CD1-CD2 3.42Å; L413-L452 VanDerWaalsContact CD1-CD2 3.42Å; L413-L452 HydrophobicContact CG-CD2 4.05Å; L413-P453 WeakPolarHBondContact O-CG 3.44Å
414G97.4Very high96.8Very high20 Ų2034.1 Ų34.121%0.20619%0.189CC..SBendtrans72.4-143.8-174.500000112.8K307K307-G414 WeakPolarHBondContact CE-O 3.44Å; K307-G414 PolarHBondContact NZ-O 3.05Å
415E98.3Very high97.2Very high66 Ų6633.7 Ų33.731%0.30818%0.184SC..SBendtrans-61.3132.3-178.4-172.8-175.9-168.900112.1G300 E301 N302 K417 Y420G300-E415 PolarHBondContact N-OE1 3Å; E301-E415 WeakPolarHBondContact O-CA 3.47Å; N302-E415 PolarHBondContact ND2-N 3.48Å; E415-K417 HydrophobicContact CG-CG 4.2Å; E415-Y420 WeakPolarHBondContact O-CD2 3.15Å
416V98.5Very high97.8Very high2 Ų238.1 Ų38.11%0.01218%0.18CC..  trans-94.3118.8179.7-175.60000109.1L264 L295 L298 K307 V412 C421L264-V416 HydrophobicContact CD2-CG1 3.71Å; L295-V416 HydrophobicContact CD2-CG1 4.11Å; L298-V416 HydrophobicContact CB-CB 4.47Å; L298-V416 HydrophobicContact CD1-CB 4.23Å; L298-V416 HydrophobicContact CD1-CG1 4.36Å; K307-V416 HydrophobicContact CD-CG2 3.69Å; V412-V416 HydrophobicContact CB-CG2 4.36Å; V416-C421 VanDerWaalsContact CG1-SG 3.58Å
417K98.2Very high98Very high77 Ų7738.8 Ų38.834%0.33519%0.187SC..  trans-126.9150.6178.4-68.8175.260.1-1670110.6E415 E419 Y420 C421E415-K417 HydrophobicContact CG-CG 4.2Å; K417-E419 VanDerWaalsContact C-N 3.29Å; K417-E419 PolarHBondContact O-N 2.94Å; K417-Y420 HydrophobicContact CB-CD2 3.9Å; K417-Y420 HydrophobicContact CB-CE2 4.05Å; K417-Y420 HydrophobicContact CB-CG 4.14Å; K417-Y420 HydrophobicContact CD-CD2 4.48Å; K417-Y420 HydrophobicContact CD-CE1 4.5Å; K417-Y420 HydrophobicContact CD-CE2 3.76Å; K417-Y420 HydrophobicContact CG-CD2 4.37Å; K417-Y420 HydrophobicContact CG-CE2 4.1Å; K417-Y420 PolarHBondContact O-N 2.98Å; K417-C421 PolarHBondContact O-N 3.4Å
418K98.3Very high98.2Very high95 Ų9539.2 Ų39.241%0.41319%0.19SC..Hα-helixtrans-49.8-48.6176.8-175.5165.9178.364.50112.5E291 L295 Y420 C421 D422E291-K418 IonicContact OE1-NZ 2.74Å; E291-K418 PolarHBondContact OE1-NZ 2.89Å; E291-K418 IonicContact OE2-NZ 3.77Å; E291-K418 PolarHBondContact OE2-NZ 3.13Å; L295-K418 HydrophobicContact CD1-CB 3.72Å; L295-K418 HydrophobicContact CD1-CG 4.42Å; K418-Y420 VanDerWaalsContact C-N 3.25Å; K418-Y420 PolarHBondContact O-N 2.83Å; K418-C421 PolarHBondContact O-N 3.13Å; K418-D422 VanDerWaalsContact CG-OD2 3.3Å; K418-D422 WeakPolarHBondContact CG-OD2 3.48Å; K418-D422 IonicContact NZ-OD1 3.39Å; K418-D422 IonicContact NZ-OD2 3.84Å; K418-D422 PolarHBondContact O-N 2.85Å
419E97.8Very high98.2Very high78 Ų7840.7 Ų40.736%0.36420%0.202SC..Hα-helixtrans-50.8-45.8176-177.3-171.7-179.100111.9K417 L423K417-E419 VanDerWaalsContact C-N 3.29Å; K417-E419 PolarHBondContact O-N 2.94Å; E419-L423 HydrophobicContact CG-CD1 4.43Å; E419-L423 VanDerWaalsContact O-CG 3.27Å; E419-L423 WeakPolarHBondContact O-CG 3.26Å; E419-L423 PolarHBondContact O-N 3.38Å; E419-L423 VanDerWaalsContact O-N 3.07Å
420Y98.3Very high98.3Very high25 Ų2545.5 Ų45.510%0.09823%0.226CC..Hα-helixtrans-73.5-40.4-175.4-53-15.3000111.1V412 E415 K417 K418 L423 L424 F451 W468V412-Y420 HydrophobicContact CG1-CD2 3.94Å; V412-Y420 HydrophobicContact CG1-CG 4.44Å; E415-Y420 WeakPolarHBondContact O-CD2 3.15Å; K417-Y420 HydrophobicContact CB-CD2 3.9Å; K417-Y420 HydrophobicContact CB-CE2 4.05Å; K417-Y420 HydrophobicContact CB-CG 4.14Å; K417-Y420 HydrophobicContact CD-CD2 4.48Å; K417-Y420 HydrophobicContact CD-CE1 4.5Å; K417-Y420 HydrophobicContact CD-CE2 3.76Å; K417-Y420 HydrophobicContact CG-CD2 4.37Å; K417-Y420 HydrophobicContact CG-CE2 4.1Å; K417-Y420 PolarHBondContact O-N 2.98Å; K418-Y420 VanDerWaalsContact C-N 3.25Å; K418-Y420 PolarHBondContact O-N 2.83Å; Y420-L423 PolarHBondContact O-N 2.91Å; Y420-L424 WeakPolarHBondContact O-CB 3.27Å; Y420-L424 PolarHBondContact O-N 3.44Å; Y420-F451 AromaticContact CD1-CE1 3.9Å; Y420-F451 HydrophobicContact CD1-CE1 3.9Å; Y420-F451 HydrophobicContact CD1-CE2 4.41Å; Y420-F451 AromaticContact CD1-CZ 3.63Å; Y420-F451 HydrophobicContact CD1-CZ 3.63Å; Y420-F451 HydrophobicContact CD2-CD1 4.39Å; Y420-F451 AromaticContact CD2-CE1 3.83Å; Y420-F451 HydrophobicContact CD2-CE1 3.83Å; Y420-F451 HydrophobicContact CD2-CZ 4.42Å; Y420-F451 HydrophobicContact CE1-CE1 4.44Å; Y420-F451 HydrophobicContact CE1-CZ 4.23Å; Y420-F451 HydrophobicContact CE2-CE1 4.35Å; Y420-F451 HydrophobicContact CG-CD1 4.2Å; Y420-F451 AromaticContact CG-CE1 3.59Å; Y420-F451 HydrophobicContact CG-CE1 3.59Å; Y420-F451 AromaticContact CG-CZ 3.77Å; Y420-F451 HydrophobicContact CG-CZ 3.77Å; Y420-W468 HydrophobicContact CE1-CZ2 4.1Å
421C98.5Very high98.3Very high0 Ų045.4 Ų45.40%022%0.224CC..Hα-helixtrans-61.6-44.1174.6-68.60000111.6V416 K417 K418 L424 R425V416-C421 VanDerWaalsContact CG1-SG 3.58Å; K417-C421 PolarHBondContact O-N 3.4Å; K418-C421 PolarHBondContact O-N 3.13Å; C421-L424 PolarHBondContact O-N 2.99Å; C421-R425 WeakPolarHBondContact O-CB 3.34Å; C421-R425 VanDerWaalsContact O-CG 3.28Å; C421-R425 WeakPolarHBondContact O-CG 2.95Å; C421-R425 PolarHBondContact O-N 3.19Å
422D98.3Very high98.3Very high60 Ų6046 Ų4632%0.32123%0.227SC..Hα-helixtrans-66.2-40.5179.4-69.7-29.2000112.2K418 R425 R426K418-D422 VanDerWaalsContact CG-OD2 3.3Å; K418-D422 WeakPolarHBondContact CG-OD2 3.48Å; K418-D422 IonicContact NZ-OD1 3.39Å; K418-D422 IonicContact NZ-OD2 3.84Å; K418-D422 PolarHBondContact O-N 2.85Å; D422-R425 IonicContact OD1-CZ 2.83Å; D422-R425 IonicContact OD1-NH1 3.05Å; D422-R425 PolarHBondContact OD1-NH1 3.3Å; D422-R426 WeakPolarHBondContact O-CG 3.15Å; D422-R426 PolarHBondContact O-N 3.04Å
423L98Very high98.3Very high45 Ų4550.3 Ų50.324%0.23625%0.248CC..Hα-helixtrans-62.2-46.2171.9-69.9179.3000111.6E419 Y420 R425 R426 A427 F451E419-L423 HydrophobicContact CG-CD1 4.43Å; E419-L423 VanDerWaalsContact O-CG 3.27Å; E419-L423 WeakPolarHBondContact O-CG 3.26Å; E419-L423 PolarHBondContact O-N 3.38Å; E419-L423 VanDerWaalsContact O-N 3.07Å; Y420-L423 PolarHBondContact O-N 2.91Å; L423-R425 PolarHBondContact O-N 2.9Å; L423-R426 PolarHBondContact O-N 3.25Å; L423-A427 PolarHBondContact O-N 2.96Å; L423-A427 VanDerWaalsContact O-N 3.13Å; L423-F451 HydrophobicContact CB-CE2 4.45Å; L423-F451 HydrophobicContact CD1-CE2 4.06Å
424L98.6Very high98.3Very high0 Ų050.7 Ų50.70%025%0.247CC..Hα-helixtrans-64.5-40.6-178.2-174.256.8000111.9L408 R411 V412 Y420 C421 R426 A427 D428 T449 F451L408-L424 HydrophobicContact CB-CD2 4.47Å; L408-L424 HydrophobicContact CD2-CD2 4.01Å; L408-L424 HydrophobicContact CD2-CG 4.39Å; R411-L424 HydrophobicContact CB-CD2 3.77Å; V412-L424 HydrophobicContact CG2-CD2 3.74Å; Y420-L424 WeakPolarHBondContact O-CB 3.27Å; Y420-L424 PolarHBondContact O-N 3.44Å; C421-L424 PolarHBondContact O-N 2.99Å; L424-R426 VanDerWaalsContact C-N 3.33Å; L424-R426 PolarHBondContact O-N 2.79Å; L424-A427 PolarHBondContact O-N 2.53Å; L424-D428 VanDerWaalsContact O-CB 3.24Å; L424-D428 WeakPolarHBondContact O-CB 3.35Å; L424-D428 PolarHBondContact O-N 3.42Å; L424-T449 HydrophobicContact CD1-CG2 3.53Å; L424-F451 HydrophobicContact CB-CB 4.31Å; L424-F451 HydrophobicContact CD1-CB 4.08Å; L424-F451 HydrophobicContact CD2-CB 4.05Å; L424-F451 HydrophobicContact CG-CB 4.38Å
425R98.6Very high98.3Very high22 Ų2250.6 Ų50.68%0.08324%0.242CC..Hα-helixtrans-56.5-45174.6-78.2175.4-172.4118.23.9112.4G263 L265 L267 E291 L408 C421 D422 L423 A429G263-R425 PolarHBondContact O-NH2 2.86Å; L265-R425 PolarHBondContact O-NE 2.82Å; L265-R425 PolarHBondContact O-NH2 3.27Å; L267-R425 HydrophobicContact CB-CB 4.15Å; L267-R425 HydrophobicContact CD1-CB 4.14Å; E291-R425 IonicContact OE1-NH1 2.64Å; L408-R425 HydrophobicContact CD1-CG 3.66Å; C421-R425 WeakPolarHBondContact O-CB 3.34Å; C421-R425 VanDerWaalsContact O-CG 3.28Å; C421-R425 WeakPolarHBondContact O-CG 2.95Å; C421-R425 PolarHBondContact O-N 3.19Å; D422-R425 IonicContact OD1-CZ 2.83Å; D422-R425 IonicContact OD1-NH1 3.05Å; D422-R425 PolarHBondContact OD1-NH1 3.3Å; L423-R425 PolarHBondContact O-N 2.9Å; R425-A429 VanDerWaalsContact O-CB 3.29Å; R425-A429 WeakPolarHBondContact O-CB 3.48Å; R425-A429 PolarHBondContact O-N 3.34Å
426R98.5Very high98.2Very high157 Ų15752.4 Ų52.459%0.59225%0.246SC*.Hα-helixtrans-64.5-45178.5-67.1-167.9-59.3154.62.9111.6D422 L423 L424 I430D422-R426 WeakPolarHBondContact O-CG 3.15Å; D422-R426 PolarHBondContact O-N 3.04Å; L423-R426 PolarHBondContact O-N 3.25Å; L424-R426 VanDerWaalsContact C-N 3.33Å; L424-R426 PolarHBondContact O-N 2.79Å; R426-I430 WeakPolarHBondContact O-CG1 3.47Å; R426-I430 PolarHBondContact O-N 2.84Å
427A98.4Very high98.2Very high28 Ų2858.6 Ų58.623%0.23127%0.273CS..Hα-helixtrans-67-42.4179.300000112.4L423 L424 I430 F431 T449 V470L423-A427 PolarHBondContact O-N 2.96Å; L423-A427 VanDerWaalsContact O-N 3.13Å; L424-A427 PolarHBondContact O-N 2.53Å; A427-I430 PolarHBondContact O-N 2.88Å; A427-F431 PolarHBondContact O-N 3.24Å; A427-F431 VanDerWaalsContact O-N 3.1Å; A427-T449 HydrophobicContact CB-CG2 4.08Å; A427-V470 HydrophobicContact CB-CG1 4.3Å
428D98.6Very high98.2Very high10 Ų1057.7 Ų57.75%0.05328%0.28CS..Hα-helixtrans-62.7-43.7176.1-165.869.7000111.4L424 I430 F431 I432 F448 T449L424-D428 VanDerWaalsContact O-CB 3.24Å; L424-D428 WeakPolarHBondContact O-CB 3.35Å; L424-D428 PolarHBondContact O-N 3.42Å; D428-I430 PolarHBondContact O-N 3.19Å; D428-F431 PolarHBondContact O-N 2.92Å; D428-I432 WeakPolarHBondContact O-CG1 3.19Å; D428-I432 PolarHBondContact O-N 2.8Å; D428-F448 WeakPolarHBondContact OD1-CA 3.27Å; D428-T449 WeakPolarHBondContact CA-OG1 3.17Å; D428-T449 PolarHBondContact OD1-N 3.45Å
429A98.3Very high98.2Very high32 Ų3258.5 Ų58.526%0.26429%0.288SS..Hα-helixtrans-57.4-47.6177.300000112.5L267 R425 F431 I432 E433L267-A429 HydrophobicContact CB-CB 4.33Å; L267-A429 HydrophobicContact CD2-CB 3.77Å; R425-A429 VanDerWaalsContact O-CB 3.29Å; R425-A429 WeakPolarHBondContact O-CB 3.48Å; R425-A429 PolarHBondContact O-N 3.34Å; A429-F431 PolarHBondContact O-N 2.94Å; A429-I432 PolarHBondContact O-N 3.05Å; A429-E433 VanDerWaalsContact O-CB 3.25Å; A429-E433 WeakPolarHBondContact O-CB 3.45Å; A429-E433 PolarHBondContact O-N 3.09Å
430I98.7Very high98.2Very high100 Ų10058.9 Ų58.951%0.51329%0.293SS..Hα-helixtrans-62.9-44.1177.5-64.9169.8000110.7R426 A427 D428 I432 E433 E434R426-I430 WeakPolarHBondContact O-CG1 3.47Å; R426-I430 PolarHBondContact O-N 2.84Å; A427-I430 PolarHBondContact O-N 2.88Å; D428-I430 PolarHBondContact O-N 3.19Å; I430-I432 PolarHBondContact O-N 2.84Å; I430-E433 PolarHBondContact O-N 2.66Å; I430-E434 HydrophobicContact CG2-CG 4.32Å; I430-E434 WeakPolarHBondContact O-CG 3.42Å; I430-E434 PolarHBondContact O-N 3.46Å
431F98.6Very high98.1Very high31 Ų3158.3 Ų58.314%0.13629%0.29CS..Hα-helixtrans-61.4-45.2-179.3179.1-144.2000112.2A427 D428 A429 L435 A447 L472A427-F431 PolarHBondContact O-N 3.24Å; A427-F431 VanDerWaalsContact O-N 3.1Å; D428-F431 PolarHBondContact O-N 2.92Å; A429-F431 PolarHBondContact O-N 2.94Å; F431-L435 HydrophobicContact CD2-CD1 4.08Å; F431-L435 HydrophobicContact CD2-CG 4.15Å; F431-L435 HydrophobicContact CE1-CD1 4.17Å; F431-L435 HydrophobicContact CE2-CD1 3.66Å; F431-L435 HydrophobicContact CE2-CD2 4.23Å; F431-L435 HydrophobicContact CE2-CG 3.82Å; F431-L435 HydrophobicContact CG-CD1 4.49Å; F431-L435 HydrophobicContact CZ-CD1 3.72Å; F431-L435 HydrophobicContact CZ-CG 4.37Å; F431-L435 WeakPolarHBondContact O-CG 3.47Å; F431-L435 PolarHBondContact O-N 3.18Å; F431-A447 HydrophobicContact CE1-CB 4.06Å; F431-A447 HydrophobicContact CZ-CB 4.32Å; F431-L472 HydrophobicContact CB-CD2 4.08Å; F431-L472 HydrophobicContact CD1-CD2 3.79Å; F431-L472 HydrophobicContact CD2-CD1 3.95Å; F431-L472 HydrophobicContact CD2-CD2 4.13Å; F431-L472 HydrophobicContact CE1-CB 4.11Å; F431-L472 HydrophobicContact CE1-CD2 4.21Å; F431-L472 HydrophobicContact CE2-CB 4.45Å; F431-L472 HydrophobicContact CE2-CD1 3.94Å; F431-L472 HydrophobicContact CG-CD1 4.42Å; F431-L472 HydrophobicContact CG-CD2 3.74Å; F431-L472 HydrophobicContact CZ-CB 4.06Å; F431-L472 HydrophobicContact CZ-CD1 4.39Å
432I97.6Very high97.9Very high30 Ų3063 Ų6315%0.15432%0.315CS..Hα-helixtrans-68.7-39.2178-60.6-51.4000111.6D428 A429 I430 L435 R436 Y441 A447D428-I432 WeakPolarHBondContact O-CG1 3.19Å; D428-I432 PolarHBondContact O-N 2.8Å; A429-I432 PolarHBondContact O-N 3.05Å; I430-I432 PolarHBondContact O-N 2.84Å; I432-L435 HydrophobicContact CD1-CD1 4.26Å; I432-L435 PolarHBondContact O-N 2.9Å; I432-R436 WeakPolarHBondContact O-CG 3.43Å; I432-R436 PolarHBondContact O-N 3.37Å; I432-Y441 HydrophobicContact CD1-CE2 4.24Å; I432-Y441 HydrophobicContact CG2-CD2 4.1Å; I432-Y441 HydrophobicContact CG2-CE2 3.74Å; I432-A447 HydrophobicContact CD1-CB 4.06Å
433E98Very high97.8Very high91 Ų9166.4 Ų66.443%0.42533%0.327SS..Hα-helixtrans-57.2-49.5175.2179.4-178.1179.900111.3A429 I430 R436 K437A429-E433 VanDerWaalsContact O-CB 3.25Å; A429-E433 WeakPolarHBondContact O-CB 3.45Å; A429-E433 PolarHBondContact O-N 3.09Å; I430-E433 PolarHBondContact O-N 2.66Å; E433-R436 PolarHBondContact O-N 2.87Å; E433-K437 VanDerWaalsContact CD-NZ 3.32Å; E433-K437 HydrophobicContact CG-CD 4.3Å; E433-K437 WeakPolarHBondContact O-CG 3.26Å; E433-K437 PolarHBondContact O-N 2.92Å; E433-K437 WeakPolarHBondContact OE1-CE 3.16Å; E433-K437 IonicContact OE1-NZ 3.09Å; E433-K437 PolarHBondContact OE1-NZ 2.99Å
434E98.7Very high97.7Very high95 Ų9565.5 Ų65.544%0.44432%0.324SS..Hα-helixtrans-69.2-36.1-178.9-65.1-55.2125.800112.3I430 R436 K437 A438I430-E434 HydrophobicContact CG2-CG 4.32Å; I430-E434 WeakPolarHBondContact O-CG 3.42Å; I430-E434 PolarHBondContact O-N 3.46Å; E434-R436 VanDerWaalsContact C-N 3.31Å; E434-R436 PolarHBondContact O-N 3.11Å; E434-K437 PolarHBondContact O-N 3.2Å; E434-K437 IonicContact OE1-NZ 3.63Å; E434-K437 PolarHBondContact OE1-NZ 2.8Å; E434-A438 VanDerWaalsContact O-CB 3.23Å; E434-A438 WeakPolarHBondContact O-CB 3.09Å; E434-A438 PolarHBondContact O-N 3.47Å
435L98.2Very high97.3Very high19 Ų1968.7 Ų68.710%0.09935%0.346CS..Hα-helixtrans-60.6-39.9172.2-79.6172.9000112.6F431 I432 D439 L440 Y441 A447F431-L435 HydrophobicContact CD2-CD1 4.08Å; F431-L435 HydrophobicContact CD2-CG 4.15Å; F431-L435 HydrophobicContact CE1-CD1 4.17Å; F431-L435 HydrophobicContact CE2-CD1 3.66Å; F431-L435 HydrophobicContact CE2-CD2 4.23Å; F431-L435 HydrophobicContact CE2-CG 3.82Å; F431-L435 HydrophobicContact CG-CD1 4.49Å; F431-L435 HydrophobicContact CZ-CD1 3.72Å; F431-L435 HydrophobicContact CZ-CG 4.37Å; F431-L435 WeakPolarHBondContact O-CG 3.47Å; F431-L435 PolarHBondContact O-N 3.18Å; I432-L435 HydrophobicContact CD1-CD1 4.26Å; I432-L435 PolarHBondContact O-N 2.9Å; L435-D439 PolarHBondContact O-N 2.97Å; L435-L440 HydrophobicContact CD2-CB 3.73Å; L435-L440 HydrophobicContact CD2-CD1 4.43Å; L435-L440 PolarHBondContact O-N 3.12Å; L435-Y441 HydrophobicContact CB-CD2 4.43Å; L435-Y441 PolarHBondContact O-N 2.93Å; L435-Y441 VanDerWaalsContact O-N 3.17Å; L435-A447 HydrophobicContact CD1-CB 3.36Å
436R96.2Very high97.2Very high103 Ų10369.9 Ų69.939%0.38935%0.352SS..Hα-helixtrans-69.6-47.1177.5-74.2-179.8168.9-140.7-5.8111.5D396 I432 E433 E434 A438 D439 Y441D396-R436 IonicContact OD2-CZ 3.81Å; D396-R436 IonicContact OD2-NH1 3.75Å; D396-R436 PolarHBondContact OD2-NH1 2.82Å; D396-R436 IonicContact OD2-NH2 3.98Å; I432-R436 WeakPolarHBondContact O-CG 3.43Å; I432-R436 PolarHBondContact O-N 3.37Å; E433-R436 PolarHBondContact O-N 2.87Å; E434-R436 VanDerWaalsContact C-N 3.31Å; E434-R436 PolarHBondContact O-N 3.11Å; R436-A438 PolarHBondContact O-N 3.19Å; R436-D439 PolarHBondContact O-N 2.51Å; R436-D439 VanDerWaalsContact O-N 3.11Å; R436-Y441 HydrophobicContact CG-CD2 3.94Å; R436-Y441 HydrophobicContact CG-CG 3.9Å
437K98Very high97.1Very high133 Ų13362.8 Ų62.858%0.57833%0.327SS*.Hα-helixtrans-59.7-33.2176.8-72.4176.4-172.3161.20112.8E433 E434 D439E433-K437 VanDerWaalsContact CD-NZ 3.32Å; E433-K437 HydrophobicContact CG-CD 4.3Å; E433-K437 WeakPolarHBondContact O-CG 3.26Å; E433-K437 PolarHBondContact O-N 2.92Å; E433-K437 WeakPolarHBondContact OE1-CE 3.16Å; E433-K437 IonicContact OE1-NZ 3.09Å; E433-K437 PolarHBondContact OE1-NZ 2.99Å; E434-K437 PolarHBondContact O-N 3.2Å; E434-K437 IonicContact OE1-NZ 3.63Å; E434-K437 PolarHBondContact OE1-NZ 2.8Å; K437-D439 VanDerWaalsContact C-N 3.33Å
438A98.3Very high97.1Very high58 Ų5862.7 Ų62.748%0.47932%0.322SS..THydrogen-bonded Turntrans-86.33.6179.500000114.3E434 R436 L440E434-A438 VanDerWaalsContact O-CB 3.23Å; E434-A438 WeakPolarHBondContact O-CB 3.09Å; E434-A438 PolarHBondContact O-N 3.47Å; R436-A438 PolarHBondContact O-N 3.19Å; A438-L440 HydrophobicContact CB-CD1 3.93Å; A438-L440 HydrophobicContact CB-CG 4.09Å; A438-L440 PolarHBondContact O-N 3.33Å
439D97.3Very high97.1Very high111 Ų11162.2 Ų62.259%0.59432%0.319SS*.THydrogen-bonded Turntrans56.333.6-176.3-160.425000113.4L435 R436 K437L435-D439 PolarHBondContact O-N 2.97Å; R436-D439 PolarHBondContact O-N 2.51Å; R436-D439 VanDerWaalsContact O-N 3.11Å; K437-D439 VanDerWaalsContact C-N 3.33Å
440L98Very high97.2Very high87 Ų8761.7 Ų61.746%0.45531%0.313SS..  trans-105.7-15-179.7-71174.1000113.1L435 A438 D442 K443L435-L440 HydrophobicContact CD2-CB 3.73Å; L435-L440 HydrophobicContact CD2-CD1 4.43Å; L435-L440 PolarHBondContact O-N 3.12Å; A438-L440 HydrophobicContact CB-CD1 3.93Å; A438-L440 HydrophobicContact CB-CG 4.09Å; A438-L440 PolarHBondContact O-N 3.33Å; L440-D442 PolarHBondContact O-N 3.45Å; L440-K443 HydrophobicContact CD2-CG 4.41Å; L440-K443 WeakPolarHBondContact O-CB 3.49Å; L440-K443 PolarHBondContact O-N 2.8Å; L440-K443 VanDerWaalsContact O-N 3.09Å
441Y97.2Very high97.2Very high13 Ų1357 Ų575%0.05129%0.289CS..G310 helixtrans-57.7-45.4-175.9-171.3-94.2000112.9H401 I432 L435 R436 K443H401-Y441 AromaticContact CD2-CE1 3.98Å; H401-Y441 AromaticContact CD2-CZ 3.91Å; H401-Y441 AromaticContact CE1-CD2 3.68Å; H401-Y441 AromaticContact CE1-CE1 3.96Å; H401-Y441 AromaticContact CE1-CE2 3.41Å; H401-Y441 VanDerWaalsContact CE1-CE2 3.41Å; H401-Y441 WeakPolarHBondContact CE1-CE2 3.34Å; H401-Y441 AromaticContact CE1-CZ 3.57Å; H401-Y441 PolarHBondContact CE1-O 3.34Å; H401-Y441 AromaticContact CG-CZ 3.67Å; H401-Y441 PolarHBondContact N-OH 2.97Å; H401-Y441 AromaticContact ND1-CE2 3.43Å; H401-Y441 WeakPolarHBondContact ND1-CE2 3.44Å; H401-Y441 AromaticContact ND1-CZ 3.49Å; H401-Y441 AromaticContact NE2-CE1 3.81Å; H401-Y441 AromaticContact NE2-CZ 3.83Å; H401-Y441 PolarHBondContact NE2-O 3.29Å; I432-Y441 HydrophobicContact CD1-CE2 4.24Å; I432-Y441 HydrophobicContact CG2-CD2 4.1Å; I432-Y441 HydrophobicContact CG2-CE2 3.74Å; L435-Y441 HydrophobicContact CB-CD2 4.43Å; L435-Y441 PolarHBondContact O-N 2.93Å; L435-Y441 VanDerWaalsContact O-N 3.17Å; R436-Y441 HydrophobicContact CG-CD2 3.94Å; R436-Y441 HydrophobicContact CG-CG 3.9Å; Y441-K443 PolarHBondContact O-N 3.43Å
442D94.4Very high97.1Very high98 Ų9857.5 Ų57.552%0.52429%0.293SS..G310 helixtrans-81.8-0.8-179.3-62.2-44.8000113.4L440L440-D442 PolarHBondContact O-N 3.45Å
443K96Very high97.1Very high131 Ų13158.9 Ų58.957%0.5730%0.304SS*.G310 helixtrans-89.5-8.5177.1-52.5-56.2179.5-168.90113L440 Y441L440-K443 HydrophobicContact CD2-CG 4.41Å; L440-K443 WeakPolarHBondContact O-CB 3.49Å; L440-K443 PolarHBondContact O-N 2.8Å; L440-K443 VanDerWaalsContact O-N 3.09Å; Y441-K443 PolarHBondContact O-N 3.43Å
444V95.9Very high97Very high26 Ų2658.4 Ų58.416%0.15831%0.306CS..SBendtrans-126.2144.3-178.3-620000110.1H401 Q446 A447 A474 V475 E476H401-V444 PolarHBondContact NE2-O 3.27Å; V444-Q446 VanDerWaalsContact C-N 3.34Å; V444-A447 HydrophobicContact CG2-CB 4.11Å; V444-A474 HydrophobicContact CG1-CB 4.3Å; V444-V475 CarbonylContact C-O 3.54Å; V444-V475 WeakPolarHBondContact CB-O 3.48Å; V444-E476 HydrophobicContact CG1-CG 4.44Å
445S90.8Very high96.7Very high67 Ų6762.3 Ų62.347%0.46932%0.317SS..SBendtrans-69.8-32.9179.1-73.20000112.4H401 V475 E476H401-S445 PolarHBondContact CD2-O 3.07Å; S445-V475 PolarHBondContact N-O 3.05Å; S445-E476 VanDerWaalsContact CB-OXT 3.28Å; S445-E476 WeakPolarHBondContact CB-OXT 3.39Å; S445-E476 PolarHBondContact OG-OXT 2.68Å
446Q95.2Very high96.4Very high47 Ų4764.5 Ų64.522%0.2233%0.334CS..EExtended strand (participates in β ladder)trans-156.1136.4176.5-155.1-178.81900110.9H401 P402 V444 F448 A474 V475H401-Q446 HydrophobicContact CB-CG 4.21Å; P402-Q446 HydrophobicContact CG-CG 4.17Å; P402-Q446 PolarHBondContact O-NE2 2.96Å; V444-Q446 VanDerWaalsContact C-N 3.34Å; Q446-F448 HydrophobicContact CG-CD1 3.97Å; Q446-F448 HydrophobicContact CG-CE1 4.12Å; Q446-A474 WeakPolarHBondContact O-CA 2.95Å; Q446-V475 HydrophobicContact CB-CG2 3.93Å; Q446-V475 PolarHBondContact N-O 3.48Å; Q446-V475 PolarHBondContact O-N 2.75Å; Q446-V475 VanDerWaalsContact O-N 3.09Å
447A97.8Very high96.1Very high8 Ų865.1 Ų65.17%0.06635%0.349CS..EExtended strand (participates in β ladder)trans-130.9140.8170.100000111.6H401 F431 I432 L435 V444 R473 A474H401-A447 PolarHBondContact ND1-N 3.5Å; F431-A447 HydrophobicContact CE1-CB 4.06Å; F431-A447 HydrophobicContact CZ-CB 4.32Å; I432-A447 HydrophobicContact CD1-CB 4.06Å; L435-A447 HydrophobicContact CD1-CB 3.36Å; V444-A447 HydrophobicContact CG2-CB 4.11Å; A447-R473 CarbonylContact C-O 3.54Å; A447-R473 VanDerWaalsContact CA-O 3.28Å; A447-R473 WeakPolarHBondContact CA-O 3.38Å; A447-A474 HydrophobicContact CB-CB 4.42Å
448F98.2Very high95.2Very high26 Ų2659.5 Ų59.511%0.11433%0.329CS..EExtended strand (participates in β ladder)trans-168.8167.2177.455.1-90.6000113.2R411 D428 Q446 V450 R473R411-F448 VanDerWaalsContact CD-CD2 3.47Å; R411-F448 VanDerWaalsContact CZ-CD1 3.46Å; R411-F448 VanDerWaalsContact NE-CE2 3.31Å; R411-F448 VanDerWaalsContact NH1-CD2 3.29Å; R411-F448 VanDerWaalsContact NH2-CE1 3.31Å; D428-F448 WeakPolarHBondContact OD1-CA 3.27Å; Q446-F448 HydrophobicContact CG-CD1 3.97Å; Q446-F448 HydrophobicContact CG-CE1 4.12Å; F448-V450 HydrophobicContact CD2-CG2 3.87Å; F448-V450 HydrophobicContact CE2-CG2 3.64Å; F448-R473 HydrophobicContact CD2-CB 4.04Å; F448-R473 HydrophobicContact CE1-CB 4.3Å; F448-R473 HydrophobicContact CE1-CG 3.88Å; F448-R473 HydrophobicContact CE2-CB 3.76Å; F448-R473 HydrophobicContact CE2-CG 3.9Å; F448-R473 HydrophobicContact CG-CB 4.46Å; F448-R473 HydrophobicContact CZ-CB 3.91Å; F448-R473 HydrophobicContact CZ-CG 3.53Å; F448-R473 PolarHBondContact N-O 2.64Å; F448-R473 PolarHBondContact O-N 3.09Å
449T98.6Very high94.4Very high0 Ų061.5 Ų61.50%034%0.335CS..EExtended strand (participates in β ladder)trans-101.1148.5172.1-54.80000111.9L424 A427 D428 V470 S471 L472L424-T449 HydrophobicContact CD1-CG2 3.53Å; A427-T449 HydrophobicContact CB-CG2 4.08Å; D428-T449 WeakPolarHBondContact CA-OG1 3.17Å; D428-T449 PolarHBondContact OD1-N 3.45Å; T449-V470 HydrophobicContact CG2-CB 3.67Å; T449-V470 HydrophobicContact CG2-CG1 4.11Å; T449-V470 HydrophobicContact CG2-CG2 4.21Å; T449-S471 CarbonylContact C-O 3.54Å; T449-S471 WeakPolarHBondContact CA-O 3.46Å; T449-L472 HydrophobicContact CG2-CD2 4.3Å
450V98.7Very high92.8Very high22 Ų2265.6 Ų65.613%0.13335%0.353CS..EExtended strand (participates in β ladder)trans-119.8132.7172.9177.70000109.4R411 L413 F448 L452 V470 S471R411-V450 CarbonylContact O-C 3.59Å; R411-V450 WeakPolarHBondContact O-CA 3.1Å; R411-V450 WeakPolarHBondContact O-CG1 3.22Å; L413-V450 HydrophobicContact CD2-CG1 4.23Å; L413-V450 HydrophobicContact CG-CG1 4Å; F448-V450 HydrophobicContact CD2-CG2 3.87Å; F448-V450 HydrophobicContact CE2-CG2 3.64Å; V450-L452 HydrophobicContact CG1-CD2 3.92Å; V450-V470 CarbonylContact O-C 3.55Å; V450-V470 VanDerWaalsContact O-CA 3.27Å; V450-V470 WeakPolarHBondContact O-CA 3.16Å; V450-S471 PolarHBondContact N-O 3.18Å; V450-S471 PolarHBondContact O-N 3.47Å
451F98.7Very high92.1Very high1 Ų164.9 Ų64.90%0.00437%0.367CS..EExtended strand (participates in β ladder)trans-88.2128.6174.2-179-87.3000110.7R411 V412 L413 Y420 L423 L424 P453 W468R411-F451 PolarHBondContact O-N 3.32Å; V412-F451 HydrophobicContact CG1-CD1 3.98Å; V412-F451 HydrophobicContact CG2-CB 4.2Å; L413-F451 PolarHBondContact N-O 3.2Å; L413-F451 VanDerWaalsContact N-O 3.11Å; Y420-F451 AromaticContact CD1-CE1 3.9Å; Y420-F451 HydrophobicContact CD1-CE1 3.9Å; Y420-F451 HydrophobicContact CD1-CE2 4.41Å; Y420-F451 AromaticContact CD1-CZ 3.63Å; Y420-F451 HydrophobicContact CD1-CZ 3.63Å; Y420-F451 HydrophobicContact CD2-CD1 4.39Å; Y420-F451 AromaticContact CD2-CE1 3.83Å; Y420-F451 HydrophobicContact CD2-CE1 3.83Å; Y420-F451 HydrophobicContact CD2-CZ 4.42Å; Y420-F451 HydrophobicContact CE1-CE1 4.44Å; Y420-F451 HydrophobicContact CE1-CZ 4.23Å; Y420-F451 HydrophobicContact CE2-CE1 4.35Å; Y420-F451 HydrophobicContact CG-CD1 4.2Å; Y420-F451 AromaticContact CG-CE1 3.59Å; Y420-F451 HydrophobicContact CG-CE1 3.59Å; Y420-F451 AromaticContact CG-CZ 3.77Å; Y420-F451 HydrophobicContact CG-CZ 3.77Å; L423-F451 HydrophobicContact CB-CE2 4.45Å; L423-F451 HydrophobicContact CD1-CE2 4.06Å; L424-F451 HydrophobicContact CB-CB 4.31Å; L424-F451 HydrophobicContact CD1-CB 4.08Å; L424-F451 HydrophobicContact CD2-CB 4.05Å; L424-F451 HydrophobicContact CG-CB 4.38Å; F451-P453 HydrophobicContact CE1-CB 4.15Å; F451-W468 HydrophobicContact CE2-CB 3.6Å; F451-W468 AromaticContact CE2-CD1 3.98Å; F451-W468 HydrophobicContact CE2-CD2 4.44Å; F451-W468 AromaticContact CE2-CG 3.73Å; F451-W468 HydrophobicContact CE2-CG 3.73Å; F451-W468 HydrophobicContact CZ-CB 3.74Å; F451-W468 AromaticContact CZ-CD1 3.84Å; F451-W468 AromaticContact CZ-CD2 3.72Å; F451-W468 HydrophobicContact CZ-CD2 3.72Å; F451-W468 HydrophobicContact CZ-CE3 4.22Å; F451-W468 AromaticContact CZ-CG 3.48Å; F451-W468 HydrophobicContact CZ-CG 3.48Å; F451-W468 VanDerWaalsContact CZ-CG 3.48Å
452L98.2Very high91.1Very high42 Ų4269.1 Ų69.122%0.2239%0.39CS..EExtended strand (participates in β ladder)trans-110120177.6-49.3-179000109L413 V450 V454 V469L413-L452 HydrophobicContact CD1-CD2 3.42Å; L413-L452 VanDerWaalsContact CD1-CD2 3.42Å; L413-L452 HydrophobicContact CG-CD2 4.05Å; V450-L452 HydrophobicContact CG1-CD2 3.92Å; L452-V454 HydrophobicContact CB-CG2 3.9Å; L452-V454 PolarHBondContact O-N 3.37Å; L452-V469 HydrophobicContact CB-CB 4.33Å; L452-V469 WeakPolarHBondContact CB-O 3.43Å; L452-V469 HydrophobicContact CD1-CB 4.46Å; L452-V469 HydrophobicContact CD1-CG1 3.99Å; L452-V469 PolarHBondContact N-O 3.27Å
453P95.8Very high90.2Very high59 Ų5968.3 Ų68.338%0.38341%0.405SS..EExtended strand (participates in β ladder)trans-77.444.7179.735.2-39000112.1L413 F451 W468L413-P453 WeakPolarHBondContact O-CG 3.44Å; F451-P453 HydrophobicContact CE1-CB 4.15Å; P453-W468 HydrophobicContact CB-CZ3 4.46Å
454V95.8Very high89.1Confident80 Ų8068.1 Ų68.149%0.48540%0.401SS..EExtended strand (participates in β ladder)trans-114.6147.1175.6-61.50000109.4L452 V469L452-V454 HydrophobicContact CB-CG2 3.9Å; L452-V454 PolarHBondContact O-N 3.37Å; V454-V469 HydrophobicContact CG2-CB 3.93Å; V454-V469 HydrophobicContact CG2-CG2 3.93Å; V454-V469 PolarHBondContact O-N 3.35Å
455R92.7Very high88.3Confident177 Ų17775.4 Ų75.467%0.66843%0.43SS*.EExtended strand (participates in β ladder)trans-98.2135.2-174.4-71.2-176.3-175.2176.72.3111.4D467 W468R455-D467 CarbonylContact C-O 3.51Å; R455-D467 VanDerWaalsContact CA-O 3.27Å; R455-D467 WeakPolarHBondContact CA-O 3.36Å; R455-W468 HydrophobicContact CG-CE3 4.22Å; R455-W468 HydrophobicContact CG-CZ3 3.95Å
456S92.6Very high88.1Confident66 Ų6678.6 Ų78.646%0.46243%0.433SS..EExtended strand (participates in β ladder)trans-119163.2167.4-170.40000109.9G458 Y466 D467S456-G458 PolarHBondContact O-N 2.85Å; S456-Y466 CarbonylContact O-C 3.53Å; S456-Y466 WeakPolarHBondContact O-CA 3.48Å; S456-D467 PolarHBondContact N-O 3.03Å; S456-D467 PolarHBondContact O-N 2.91Å
457V89.9Confident88Confident115 Ų11577.6 Ų77.670%0.69743%0.429SS*.EExtended strand (participates in β ladder)trans-58.5128.1178.2-179.70000109.3Y466V457-Y466 HydrophobicContact CG2-CE1 4.35Å
458G79.6Confident87.9Confident15 Ų1580.1 Ų80.116%0.15544%0.437CS..PPolyproline II helixtrans-65.5155-175.800000112.9S456 K465S456-G458 PolarHBondContact O-N 2.85Å; G458-K465 PolarHBondContact N-O 2.96Å; G458-K465 VanDerWaalsContact N-O 3.1Å
459V80.8Confident87.8Confident101 Ų10181.1 Ų81.161%0.61245%0.445SS*.PPolyproline II helixtrans-72.3134.3174.5-179.50000109.1G461 D462V459-G461 PolarHBondContact O-N 3.38Å; V459-D462 PolarHBondContact O-N 3.25Å
460M64.5Low87.8Confident196 Ų19684.4 Ų84.497%0.96647%0.465SS*.THydrogen-bonded Turntrans-62.4100.8174.1-75.3-168.6-71.300109.9
461G82.9Confident87.8Confident72 Ų7285.9 Ų85.974%0.74248%0.477SS*.THydrogen-bonded Turntrans148.3-35.7-177.100000112.4V459 G463V459-G461 PolarHBondContact O-N 3.38Å; G461-G463 PolarHBondContact O-N 2.52Å
462D75.9Confident87.8Confident103 Ų10390.9 Ų90.955%0.55150%0.503SS*.SBendtrans-78.3-1.6-173.6-70.55.2000113.5V459 R464V459-D462 PolarHBondContact O-N 3.25Å; D462-R464 PolarHBondContact O-N 3.49Å; D462-R464 VanDerWaalsContact O-N 3.12Å
463G74.6Confident87.8Confident81 Ų8195.3 Ų95.384%0.83552%0.516SS*.SBendtrans69.73.1179.200000114.8G461G461-G463 PolarHBondContact O-N 2.52Å
464R74.2Confident87.9Confident126 Ų12694.9 Ų94.948%0.47552%0.518SS..  trans-106.4143.4-177.6-65.9170.8177.5-159.1-3.6111.1D462 Y466 D467D462-R464 PolarHBondContact O-N 3.49Å; D462-R464 VanDerWaalsContact O-N 3.12Å; R464-Y466 VanDerWaalsContact C-N 3.31Å; R464-D467 WeakPolarHBondContact CD-OD1 3.39Å; R464-D467 IonicContact CZ-OD1 3.98Å; R464-D467 IonicContact NE-OD1 2.72Å; R464-D467 IonicContact NH1-OD1 3.9Å; R464-D467 PolarHBondContact NH1-OD1 2.79Å; R464-D467 VanDerWaalsContact NH1-OD1 3.07Å
465K78.4Confident87.9Confident180 Ų18093.1 Ų93.178%0.78351%0.507SS*.SBendtrans-72-29.7171.8-66.9-165.4177.5-173.50112G458G458-K465 PolarHBondContact N-O 2.96Å; G458-K465 VanDerWaalsContact N-O 3.1Å
466Y86.9Confident87.8Confident133 Ų13394.7 Ų94.752%0.52252%0.522SS..EExtended strand (participates in β ladder)trans-145.8143.5-176.5-62.1-73.3000110.6S456 V457 R464S456-Y466 CarbonylContact O-C 3.53Å; S456-Y466 WeakPolarHBondContact O-CA 3.48Å; V457-Y466 HydrophobicContact CG2-CE1 4.35Å; R464-Y466 VanDerWaalsContact C-N 3.31Å
467D92.4Very high87.6Confident27 Ų2796.2 Ų96.214%0.14453%0.525CS..EExtended strand (participates in β ladder)trans-130.2174.3175.6-83.1-58.3000111.9R455 S456 R464R455-D467 CarbonylContact C-O 3.51Å; R455-D467 VanDerWaalsContact CA-O 3.27Å; R455-D467 WeakPolarHBondContact CA-O 3.36Å; S456-D467 PolarHBondContact N-O 3.03Å; S456-D467 PolarHBondContact O-N 2.91Å; R464-D467 WeakPolarHBondContact CD-OD1 3.39Å; R464-D467 IonicContact CZ-OD1 3.98Å; R464-D467 IonicContact NE-OD1 2.72Å; R464-D467 IonicContact NH1-OD1 3.9Å; R464-D467 PolarHBondContact NH1-OD1 2.79Å; R464-D467 VanDerWaalsContact NH1-OD1 3.07Å
468W95.9Very high87.4Confident61 Ų6195.2 Ų95.223%0.23152%0.516CS..EExtended strand (participates in β ladder)trans-81.8163.7-175.4-56.3117.1000113Y420 F451 P453 R455Y420-W468 HydrophobicContact CE1-CZ2 4.1Å; F451-W468 HydrophobicContact CE2-CB 3.6Å; F451-W468 AromaticContact CE2-CD1 3.98Å; F451-W468 HydrophobicContact CE2-CD2 4.44Å; F451-W468 AromaticContact CE2-CG 3.73Å; F451-W468 HydrophobicContact CE2-CG 3.73Å; F451-W468 HydrophobicContact CZ-CB 3.74Å; F451-W468 AromaticContact CZ-CD1 3.84Å; F451-W468 AromaticContact CZ-CD2 3.72Å; F451-W468 HydrophobicContact CZ-CD2 3.72Å; F451-W468 HydrophobicContact CZ-CE3 4.22Å; F451-W468 AromaticContact CZ-CG 3.48Å; F451-W468 HydrophobicContact CZ-CG 3.48Å; F451-W468 VanDerWaalsContact CZ-CG 3.48Å; P453-W468 HydrophobicContact CB-CZ3 4.46Å; R455-W468 HydrophobicContact CG-CE3 4.22Å; R455-W468 HydrophobicContact CG-CZ3 3.95Å
469V97.4Very high87.9Confident47 Ų4799.6 Ų99.629%0.28554%0.537SS..EExtended strand (participates in β ladder)trans-112.6143.3176.7-178.30000110L452 V454L452-V469 HydrophobicContact CB-CB 4.33Å; L452-V469 WeakPolarHBondContact CB-O 3.43Å; L452-V469 HydrophobicContact CD1-CB 4.46Å; L452-V469 HydrophobicContact CD1-CG1 3.99Å; L452-V469 PolarHBondContact N-O 3.27Å; V454-V469 HydrophobicContact CG2-CB 3.93Å; V454-V469 HydrophobicContact CG2-CG2 3.93Å; V454-V469 PolarHBondContact O-N 3.35Å
470V98.6Very high88.3Confident68 Ų6899.5 Ų99.541%0.41253%0.532SS..EExtended strand (participates in β ladder)trans-117.7153.6168.5-63.70000110.4A427 T449 V450A427-V470 HydrophobicContact CB-CG1 4.3Å; T449-V470 HydrophobicContact CG2-CB 3.67Å; T449-V470 HydrophobicContact CG2-CG1 4.11Å; T449-V470 HydrophobicContact CG2-CG2 4.21Å; V450-V470 CarbonylContact O-C 3.55Å; V450-V470 VanDerWaalsContact O-CA 3.27Å; V450-V470 WeakPolarHBondContact O-CA 3.16Å
471S98.7Very high89.8Confident54 Ų5493.5 Ų93.538%0.37851%0.505SS..EExtended strand (participates in β ladder)trans-119.1131.9173.5-177.80000109.9T449 V450T449-S471 CarbonylContact C-O 3.54Å; T449-S471 WeakPolarHBondContact CA-O 3.46Å; V450-S471 PolarHBondContact N-O 3.18Å; V450-S471 PolarHBondContact O-N 3.47Å
472L98.6Very high90.2Very high106 Ų10694.9 Ų94.956%0.55549%0.489SS*.EExtended strand (participates in β ladder)trans-85.7136.8171.3-56-174.5000109.3F431 T449F431-L472 HydrophobicContact CB-CD2 4.08Å; F431-L472 HydrophobicContact CD1-CD2 3.79Å; F431-L472 HydrophobicContact CD2-CD1 3.95Å; F431-L472 HydrophobicContact CD2-CD2 4.13Å; F431-L472 HydrophobicContact CE1-CB 4.11Å; F431-L472 HydrophobicContact CE1-CD2 4.21Å; F431-L472 HydrophobicContact CE2-CB 4.45Å; F431-L472 HydrophobicContact CE2-CD1 3.94Å; F431-L472 HydrophobicContact CG-CD1 4.42Å; F431-L472 HydrophobicContact CG-CD2 3.74Å; F431-L472 HydrophobicContact CZ-CB 4.06Å; F431-L472 HydrophobicContact CZ-CD1 4.39Å; T449-L472 HydrophobicContact CG2-CD2 4.3Å
473R98.5Very high91.3Very high134 Ų13494.4 Ų94.451%0.50649%0.485SS..EExtended strand (participates in β ladder)trans-129.2124175-179.561176.8-168.83.5109.6A447 F448 V475A447-R473 CarbonylContact C-O 3.54Å; A447-R473 VanDerWaalsContact CA-O 3.28Å; A447-R473 WeakPolarHBondContact CA-O 3.38Å; F448-R473 HydrophobicContact CD2-CB 4.04Å; F448-R473 HydrophobicContact CE1-CB 4.3Å; F448-R473 HydrophobicContact CE1-CG 3.88Å; F448-R473 HydrophobicContact CE2-CB 3.76Å; F448-R473 HydrophobicContact CE2-CG 3.9Å; F448-R473 HydrophobicContact CG-CB 4.46Å; F448-R473 HydrophobicContact CZ-CB 3.91Å; F448-R473 HydrophobicContact CZ-CG 3.53Å; F448-R473 PolarHBondContact N-O 2.64Å; F448-R473 PolarHBondContact O-N 3.09Å; R473-V475 VanDerWaalsContact CZ-CG1 3.46Å; R473-V475 VanDerWaalsContact NH2-CG1 3.25Å
474A97.5Very high92.5Very high50 Ų5095.4 Ų95.441%0.41346%0.458SS..EExtended strand (participates in β ladder)trans-133.1142.7168.100000109.2V444 Q446 A447V444-A474 HydrophobicContact CG1-CB 4.3Å; Q446-A474 WeakPolarHBondContact O-CA 2.95Å; A447-A474 HydrophobicContact CB-CB 4.42Å
475V96.3Very high94.1Very high44 Ų4492.8 Ų92.827%0.26746%0.456SS..EExtended strand (participates in β ladder)trans-141.4151.5-177.6-63.30000111.3V444 S445 Q446 R473V444-V475 CarbonylContact C-O 3.54Å; V444-V475 WeakPolarHBondContact CB-O 3.48Å; S445-V475 PolarHBondContact N-O 3.05Å; Q446-V475 HydrophobicContact CB-CG2 3.93Å; Q446-V475 PolarHBondContact N-O 3.48Å; Q446-V475 PolarHBondContact O-N 2.75Å; Q446-V475 VanDerWaalsContact O-N 3.09Å; R473-V475 VanDerWaalsContact CZ-CG1 3.46Å; R473-V475 VanDerWaalsContact NH2-CG1 3.25Å
476E89.8Confident95.5Very high210 Ų21084.9 Ų84.998%0.98143%0.427SS*.  trans-107.20173.7-71.8172-128.200110.8V444 S445V444-E476 HydrophobicContact CG1-CG 4.44Å; S445-E476 VanDerWaalsContact CB-OXT 3.28Å; S445-E476 WeakPolarHBondContact CB-OXT 3.39Å; S445-E476 PolarHBondContact OG-OXT 2.68Å

Retrieved 476 of 476 residues in 1050.3 ms (Link to these results)

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