A0A077ZKQ4_TRITR Loading...

protein kinase C

AlphaFold DB , UniProt , Accession A0A077ZKQ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 498 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
1Y38.1Very low54.5Low256 Ų256147.2 Ų147.2100%1.00467%0.67SS**  0-30.10-79.8-78.4000115.5
2L35.4Very low57.5Low128 Ų128137.2 Ų137.267%0.6762%0.624SS**  trans-90.2-11.2177.5-79.7160.6000116E4 A79L2-E4 VanDerWaalsContact C-N 3.29Å; L2-E4 PolarHBondContact O-N 2.59Å; L2-A79 HydrophobicContact CD1-CB 4.29Å
3K39.4Very low60.3Low207 Ų207141.1 Ų141.190%0.963%0.631SS**THydrogen-bonded Turntrans-78.3-6.9177.3-101.5-176.6177.4-179.80114.5
4E40.2Very low62.8Low162 Ų162134.6 Ų134.676%0.75760%0.601SS**THydrogen-bonded Turntrans-106.60.1-171.3-73.2-179.6153.100114.6L2L2-E4 VanDerWaalsContact C-N 3.29Å; L2-E4 PolarHBondContact O-N 2.59Å
5R40.1Very low65Low208 Ų208135.9 Ų135.979%0.78560%0.6SS**SBendtrans-104.72-165.2-124-179.7-174.5161.11.9118.4
6F49.3Very low66.9Low129 Ų129132.3 Ų132.357%0.56659%0.592SS**  trans-139.876.9171.3-66.8-80.2000110.9I8 L72 I75F6-I8 VanDerWaalsContact C-N 3.33Å; F6-I8 PolarHBondContact O-N 3.44Å; F6-L72 HydrophobicContact CB-CD2 4.46Å; F6-L72 HydrophobicContact CD2-CD2 3.99Å; F6-L72 HydrophobicContact CG-CD2 4.43Å; F6-I75 HydrophobicContact CE2-CD1 3.81Å; F6-I75 HydrophobicContact CZ-CD1 3.96Å
7K50.4Low68.3Low202 Ų202131 Ų13188%0.87858%0.583SS**  trans-81.786161.1-87.8-174.9174.3-177.50107.8D9K7-D9 PolarHBondContact O-N 3.35Å
8I60.9Low69.5Low59 Ų59128.1 Ų128.130%0.30357%0.574SS.*  trans-75.6109.4164.6-62.5-174.9000106.3F6 I10 V60 V63 L68F6-I8 VanDerWaalsContact C-N 3.33Å; F6-I8 PolarHBondContact O-N 3.44Å; I8-I10 HydrophobicContact CG2-CD1 4.07Å; I8-I10 HydrophobicContact CG2-CG1 4.03Å; I8-V60 HydrophobicContact CG2-CG1 4.47Å; I8-V63 HydrophobicContact CG2-CG2 4.08Å; I8-L68 HydrophobicContact CD1-CD1 3.34Å; I8-L68 HydrophobicContact CD1-CD2 3.82Å; I8-L68 HydrophobicContact CD1-CG 4.2Å
9D75.9Confident70.4Confident108 Ų108122.1 Ų122.158%0.57855%0.547SS*.  trans-129.668.7-177.6-170.431.5000108K7 P11 N59K7-D9 PolarHBondContact O-N 3.35Å; D9-P11 VanDerWaalsContact O-CD 3.24Å; D9-P11 WeakPolarHBondContact O-CD 3Å; D9-N59 CarbonylContact C-O 3.44Å; D9-N59 WeakPolarHBondContact CA-O 3.42Å; D9-N59 WeakPolarHBondContact OD1-CB 3.33Å; D9-N59 VanDerWaalsContact OD1-CG 3.31Å; D9-N59 PolarHBondContact OD1-ND2 3.4Å
10I82.4Confident71.2Confident83 Ų83124.8 Ų124.843%0.42656%0.558SS.*BIsolated β-bridgetrans-101.696.7179.2-55.4178000107.8I8 N59 V60 C61 V63I8-I10 HydrophobicContact CG2-CD1 4.07Å; I8-I10 HydrophobicContact CG2-CG1 4.03Å; I10-N59 CarbonylContact C-O 3.49Å; I10-N59 PolarHBondContact N-O 3.28Å; I10-N59 CarbonylContact O-C 2.98Å; I10-N59 WeakPolarHBondContact O-CA 3.28Å; I10-V60 PolarHBondContact O-N 3.25Å; I10-C61 HydrophobicContact CG2-CB 4.17Å; I10-C61 VanDerWaalsContact O-CB 3.32Å; I10-C61 WeakPolarHBondContact O-CB 3.39Å; I10-C61 PolarHBondContact O-N 2.82Å; I10-V63 HydrophobicContact CD1-CG2 3.8Å
11P87.6Confident71.7Confident77 Ų77120.2 Ų120.250%0.554%0.541SS..  trans-68.5145.9-176.428-35.2000111.7D9 N59D9-P11 VanDerWaalsContact O-CD 3.24Å; D9-P11 WeakPolarHBondContact O-CD 3Å; P11-N59 WeakPolarHBondContact CA-OD1 2.73Å
12H90.8Very high74.1Confident27 Ų27112.4 Ų112.413%0.12552%0.522CS..  trans-65.7141.3171.7-69.5-90.1000111.2F14 C42 C45 P58 C61H12-F14 HydrophobicContact CB-CD2 3.68Å; H12-F14 HydrophobicContact CB-CE1 4.24Å; H12-F14 HydrophobicContact CB-CE2 3.32Å; H12-F14 HydrophobicContact CB-CG 4.29Å; H12-F14 HydrophobicContact CB-CZ 3.61Å; H12-F14 AromaticContact CG-CE2 3.88Å; H12-F14 AromaticContact CG-CZ 3.8Å; H12-F14 PolarHBondContact O-N 3.22Å; H12-C42 HydrophobicContact CB-CB 4.41Å; H12-C45 VanDerWaalsContact CE1-SG 3.54Å; H12-C45 PolarHBondContact ND1-SG 2.68Å; H12-P58 PolarHBondContact CD2-O 3.14Å; H12-P58 PolarHBondContact NE2-O 3.33Å; H12-C61 HydrophobicContact CB-CB 4.27Å
13R93.3Very high76.4Confident188 Ų188107.3 Ų107.371%0.70950%0.496SS*.  trans-94.475172.4-68-174.7-173177.83110.2C42 E43R13-C42 PolarHBondContact N-SG 3.09Å; R13-C42 WeakPolarHBondContact O-CA 3.4Å; R13-E43 PolarHBondContact O-N 2.89Å
14F95.8Very high78.9Confident50 Ų50102.2 Ų102.222%0.21947%0.474CS..EExtended strand (participates in β ladder)trans-71.9131.2179.9-75-58.5000112.1H12 V40 C42 L47 A49 A54 M57H12-F14 HydrophobicContact CB-CD2 3.68Å; H12-F14 HydrophobicContact CB-CE1 4.24Å; H12-F14 HydrophobicContact CB-CE2 3.32Å; H12-F14 HydrophobicContact CB-CG 4.29Å; H12-F14 HydrophobicContact CB-CZ 3.61Å; H12-F14 AromaticContact CG-CE2 3.88Å; H12-F14 AromaticContact CG-CZ 3.8Å; H12-F14 PolarHBondContact O-N 3.22Å; F14-V40 HydrophobicContact CB-CB 3.89Å; F14-V40 HydrophobicContact CB-CG1 4.41Å; F14-V40 HydrophobicContact CB-CG2 3.92Å; F14-V40 HydrophobicContact CD1-CB 3.94Å; F14-V40 HydrophobicContact CD1-CG2 3.41Å; F14-V40 VanDerWaalsContact CD1-CG2 3.41Å; F14-V40 HydrophobicContact CD2-CG2 4.42Å; F14-V40 HydrophobicContact CE1-CG2 4.03Å; F14-V40 HydrophobicContact CG-CB 4.15Å; F14-V40 HydrophobicContact CG-CG2 3.67Å; F14-C42 HydrophobicContact CD1-CB 4.05Å; F14-C42 HydrophobicContact CE1-CB 3.92Å; F14-L47 HydrophobicContact CE1-CD2 4.21Å; F14-L47 HydrophobicContact CZ-CD2 4.22Å; F14-A49 HydrophobicContact CE1-CB 4.29Å; F14-A49 HydrophobicContact CZ-CB 4.41Å; F14-A54 HydrophobicContact CD2-CB 3.77Å; F14-A54 HydrophobicContact CE2-CB 3.98Å; F14-A54 WeakPolarHBondContact CE2-O 3.38Å; F14-A54 HydrophobicContact CG-CB 4.23Å; F14-M57 HydrophobicContact CE2-CB 4.25Å; F14-M57 HydrophobicContact CE2-CG 4.26Å; F14-M57 HydrophobicContact CZ-CB 4.3Å; F14-M57 HydrophobicContact CZ-CG 3.95Å
15R94.6Very high81.3Confident154 Ų15494.6 Ų94.658%0.58144%0.439SS*.EExtended strand (participates in β ladder)trans-120.2142.8164.1-72.6-156.9-170.3-179.813.2110.8Y17 V40 K41 E43R15-Y17 PolarHBondContact O-N 3.39Å; R15-V40 CarbonylContact O-C 3.54Å; R15-V40 WeakPolarHBondContact O-CA 2.97Å; R15-K41 PolarHBondContact N-O 3.47Å; R15-K41 PolarHBondContact O-N 3.44Å; R15-E43 HydrophobicContact CB-CG 4.38Å; R15-E43 WeakPolarHBondContact CD-OE1 3.48Å; R15-E43 HydrophobicContact CG-CG 3.94Å; R15-E43 IonicContact CZ-OE1 3.79Å; R15-E43 IonicContact CZ-OE2 2.69Å; R15-E43 IonicContact NE-OE1 3.58Å; R15-E43 PolarHBondContact NE-OE1 2.86Å; R15-E43 IonicContact NE-OE2 3.43Å; R15-E43 PolarHBondContact NE-OE2 3.32Å; R15-E43 IonicContact NH1-OE1 2.75Å; R15-E43 IonicContact NH2-OE1 2.69Å; R15-E43 PolarHBondContact NH2-OE1 2.84Å; R15-E43 IonicContact NH2-OE2 2.72Å; R15-E43 PolarHBondContact NH2-OE2 2.9Å; R15-E43 VanDerWaalsContact NH2-OE2 3.17Å
16V95.4Very high83.6Confident79 Ų7989.2 Ų89.248%0.47943%0.425SS..EExtended strand (participates in β ladder)trans-56.7126.4171.5178.10000109.1K37 V40V16-K37 HydrophobicContact CG1-CB 3.5Å; V16-K37 HydrophobicContact CG1-CD 3.74Å; V16-K37 HydrophobicContact CG1-CG 3.51Å; V16-V40 HydrophobicContact CG2-CG1 4.35Å
17Y90.8Very high85.4Confident110 Ų11086.8 Ų86.843%0.43142%0.416SS..EExtended strand (participates in β ladder)trans-129.5142.2-171.8-162.6-97.3000110.7R15 F19 K37 G39 K41R15-Y17 PolarHBondContact O-N 3.39Å; Y17-F19 AromaticContact CD1-CD1 3.76Å; Y17-F19 HydrophobicContact CD1-CD1 3.76Å; Y17-F19 HydrophobicContact CD1-CD2 4.2Å; Y17-F19 AromaticContact CD1-CE1 3.67Å; Y17-F19 HydrophobicContact CD1-CE1 3.67Å; Y17-F19 HydrophobicContact CD1-CE2 4.14Å; Y17-F19 HydrophobicContact CD1-CG 4.04Å; Y17-F19 AromaticContact CD1-CZ 3.89Å; Y17-F19 HydrophobicContact CD1-CZ 3.89Å; Y17-F19 HydrophobicContact CE1-CD1 4.24Å; Y17-F19 HydrophobicContact CE1-CE1 4.36Å; Y17-F19 HydrophobicContact CG-CE1 4.46Å; Y17-F19 HydrophobicContact CG-CZ 4.3Å; Y17-K37 WeakPolarHBondContact O-CA 3.4Å; Y17-G39 PolarHBondContact N-O 3.33Å; Y17-K41 HydrophobicContact CD1-CB 4.49Å; Y17-K41 HydrophobicContact CD1-CD 4.29Å; Y17-K41 HydrophobicContact CD2-CB 4.21Å; Y17-K41 HydrophobicContact CD2-CD 4.25Å; Y17-K41 HydrophobicContact CE1-CD 4.31Å; Y17-K41 HydrophobicContact CE2-CD 4.28Å; Y17-K41 HydrophobicContact CG-CB 3.92Å; Y17-K41 HydrophobicContact CG-CD 4.26Å
18N91.2Very high87.1Confident79 Ų7979 Ų7942%0.42239%0.386SS..  trans-93.6103.5171.7-66.1-18.3000107.7K37N18-K37 WeakPolarHBondContact OD1-CA 3.49Å; N18-K37 VanDerWaalsContact OD1-CG 3.25Å; N18-K37 WeakPolarHBondContact OD1-CG 3.42Å; N18-K37 PolarHBondContact OD1-N 2.73Å
19F86.8Confident88.1Confident13 Ų1378.1 Ų78.16%0.05739%0.391CS..  trans-77.5122.1173.8-61.1-84.1000108.2Y17 T23 L32 Q38 K41 N48Y17-F19 AromaticContact CD1-CD1 3.76Å; Y17-F19 HydrophobicContact CD1-CD1 3.76Å; Y17-F19 HydrophobicContact CD1-CD2 4.2Å; Y17-F19 AromaticContact CD1-CE1 3.67Å; Y17-F19 HydrophobicContact CD1-CE1 3.67Å; Y17-F19 HydrophobicContact CD1-CE2 4.14Å; Y17-F19 HydrophobicContact CD1-CG 4.04Å; Y17-F19 AromaticContact CD1-CZ 3.89Å; Y17-F19 HydrophobicContact CD1-CZ 3.89Å; Y17-F19 HydrophobicContact CE1-CD1 4.24Å; Y17-F19 HydrophobicContact CE1-CE1 4.36Å; Y17-F19 HydrophobicContact CG-CE1 4.46Å; Y17-F19 HydrophobicContact CG-CZ 4.3Å; F19-T23 HydrophobicContact CD1-CG2 3.61Å; F19-T23 WeakPolarHBondContact CD1-OG1 3.39Å; F19-T23 HydrophobicContact CE1-CG2 3.82Å; F19-T23 HydrophobicContact CG-CG2 4.39Å; F19-L32 HydrophobicContact CD1-CD1 4.22Å; F19-L32 HydrophobicContact CD2-CB 4.47Å; F19-L32 HydrophobicContact CD2-CD1 3.87Å; F19-L32 HydrophobicContact CE1-CD1 3.94Å; F19-L32 HydrophobicContact CE2-CD1 3.56Å; F19-L32 HydrophobicContact CG-CD1 4.17Å; F19-L32 HydrophobicContact CZ-CD1 3.59Å; F19-Q38 HydrophobicContact CD2-CB 4.07Å; F19-Q38 PolarHBondContact O-NE2 3.15Å; F19-K41 HydrophobicContact CZ-CB 4.16Å; F19-N48 HydrophobicContact CE1-CB 3.82Å; F19-N48 VanDerWaalsContact CE1-OD1 3.32Å; F19-N48 WeakPolarHBondContact CE1-OD1 2.92Å; F19-N48 HydrophobicContact CZ-CB 3.93Å
20K85.7Confident88.6Confident176 Ų17674 Ų7477%0.76537%0.372SS*.SBendtrans-89.9-14.2-176.1-66.6-176.2-179-1780113D460K20-D460 VanDerWaalsContact C-OD2 3.24Å; K20-D460 WeakPolarHBondContact CB-OD2 3.49Å; K20-D460 WeakPolarHBondContact CD-OD1 3.38Å
21S82.6Confident88.9Confident29 Ų2973.4 Ų73.420%0.20337%0.369CS..SBendtrans-127.7161.3174.961.40000111.5T23S21-T23 PolarHBondContact O-N 2.78Å; S21-T23 PolarHBondContact O-OG1 3.32Å
22P86.8Confident88.9Confident92 Ų9270.1 Ų70.160%0.59735%0.347SS*.  trans-52.3106.8173.3-26.436000111L31P22-L31 HydrophobicContact CB-CD1 3.66Å
23T84.8Confident88.4Confident22 Ų2275.3 Ų75.314%0.13537%0.366CS..  trans-116.7135.1-177.6-57.20000108.4F19 S21 L32 N48F19-T23 HydrophobicContact CD1-CG2 3.61Å; F19-T23 WeakPolarHBondContact CD1-OG1 3.39Å; F19-T23 HydrophobicContact CE1-CG2 3.82Å; F19-T23 HydrophobicContact CG-CG2 4.39Å; S21-T23 PolarHBondContact O-N 2.78Å; S21-T23 PolarHBondContact O-OG1 3.32Å; T23-L32 HydrophobicContact CG2-CD1 3.77Å; T23-L32 VanDerWaalsContact O-CB 3.22Å; T23-L32 WeakPolarHBondContact O-CB 3.48Å; T23-L32 VanDerWaalsContact O-CG 3.28Å; T23-L32 WeakPolarHBondContact O-CG 3.31Å; T23-L32 PolarHBondContact O-N 3.06Å; T23-N48 HydrophobicContact CG2-CB 3.84Å
24F90.7Very high87.5Confident100 Ų10068.8 Ų68.844%0.43936%0.357SS..BIsolated β-bridgetrans-94.7150.3179.8-64.6-89.2000111.4G29 L31F24-G29 WeakPolarHBondContact CD1-O 3.39Å; F24-L31 HydrophobicContact CD1-CB 4.28Å; F24-L31 HydrophobicContact CD1-CD1 4.26Å; F24-L31 HydrophobicContact CE1-CB 4.15Å; F24-L31 HydrophobicContact CE1-CD1 4.01Å; F24-L31 HydrophobicContact CE2-CD1 4.27Å; F24-L31 HydrophobicContact CZ-CD1 4.01Å
25C91.1Very high86.5Confident2 Ų274.5 Ų74.51%0.01439%0.389CS..  trans-77.1121.6175.3178.60000110.1H27 C28 G29 S30 L32 A49 H50C25-H27 PolarHBondContact O-N 3.23Å; C25-H27 VanDerWaalsContact O-N 3.11Å; C25-H27 VanDerWaalsContact SG-CB 3.59Å; C25-H27 PolarHBondContact SG-N 3.03Å; C25-H27 VanDerWaalsContact SG-N 3.43Å; C25-C28 PolarHBondContact O-N 3.3Å; C25-G29 WeakPolarHBondContact O-CA 3.24Å; C25-G29 PolarHBondContact O-N 3.39Å; C25-S30 WeakPolarHBondContact CB-O 3.21Å; C25-S30 PolarHBondContact N-O 2.99Å; C25-L32 HydrophobicContact CB-CD2 3.91Å; C25-A49 VanDerWaalsContact SG-CA 3.52Å; C25-H50 VanDerWaalsContact CB-CE1 3.44Å; C25-H50 WeakPolarHBondContact CB-CE1 3.38Å; C25-H50 VanDerWaalsContact CB-ND1 3.33Å; C25-H50 WeakPolarHBondContact CB-ND1 3.46Å; C25-H50 PolarHBondContact SG-N 2.75Å; C25-H50 VanDerWaalsContact SG-N 3.43Å
26D87.7Confident85.9Confident95 Ų9571.9 Ų71.951%0.50839%0.39SS..THydrogen-bonded Turntrans-68.2-9.7178.1-64-63.7000113.3L47 N48D26-L47 HydrophobicContact CB-CD1 4.17Å; D26-L47 HydrophobicContact CB-CD2 3.62Å; D26-L47 HydrophobicContact CB-CG 3.6Å; D26-L47 WeakPolarHBondContact OD2-CG 3.33Å; D26-N48 PolarHBondContact N-O 2.81Å; D26-N48 PolarHBondContact OD2-N 2.92Å; D26-N48 VanDerWaalsContact OD2-O 3.13Å
27H87.7Confident85.5Confident77 Ų7774.5 Ų74.536%0.35640%0.395SS..THydrogen-bonded Turntrans-87.5-52.9173.6176.6-92.3000112.5C25 C53 L56 M57C25-H27 PolarHBondContact O-N 3.23Å; C25-H27 VanDerWaalsContact O-N 3.11Å; C25-H27 VanDerWaalsContact SG-CB 3.59Å; C25-H27 PolarHBondContact SG-N 3.03Å; C25-H27 VanDerWaalsContact SG-N 3.43Å; H27-C53 HydrophobicContact CB-CB 3.74Å; H27-L56 VanDerWaalsContact NE2-CB 3.29Å; H27-L56 WeakPolarHBondContact NE2-CB 3.4Å; H27-M57 HydrophobicContact CB-CG 4.46Å; H27-M57 HydrophobicContact CB-SD 3.51Å; H27-M57 VanDerWaalsContact CB-SD 3.51Å
28C87.3Confident85.6Confident39 Ų3970.3 Ų70.326%0.26438%0.379SS..THydrogen-bonded Turntrans-110.7-2.1-170.473.10000114.3C25 S30 H50C25-C28 PolarHBondContact O-N 3.3Å; C28-S30 PolarHBondContact O-N 3.12Å; C28-S30 PolarHBondContact O-OG 3.06Å; C28-S30 PolarHBondContact SG-OG 3.47Å; C28-S30 VanDerWaalsContact SG-OG 3.35Å; C28-H50 PolarHBondContact SG-CE1 2.86Å; C28-H50 PolarHBondContact SG-ND1 2.84Å; C28-H50 VanDerWaalsContact SG-ND1 3.4Å
29G81.9Confident85.7Confident40 Ų4066.6 Ų66.641%0.41236%0.359SS..  trans79.2-16.1-178.900000114.9F24 C25F24-G29 WeakPolarHBondContact CD1-O 3.39Å; C25-G29 WeakPolarHBondContact O-CA 3.24Å; C25-G29 PolarHBondContact O-N 3.39Å
30S84.7Confident86.1Confident23 Ų2366.5 Ų66.516%0.16136%0.36CS..  trans-87.4157.7-170-29.80000113.4C25 C28 H50 E373C25-S30 WeakPolarHBondContact CB-O 3.21Å; C25-S30 PolarHBondContact N-O 2.99Å; C28-S30 PolarHBondContact O-N 3.12Å; C28-S30 PolarHBondContact O-OG 3.06Å; C28-S30 PolarHBondContact SG-OG 3.47Å; C28-S30 VanDerWaalsContact SG-OG 3.35Å; S30-H50 PolarHBondContact O-CE1 3.34Å; S30-E373 WeakPolarHBondContact CA-OE1 3.4Å; S30-E373 WeakPolarHBondContact CB-OE1 3.26Å; S30-E373 PolarHBondContact N-OE1 3.01Å; S30-E373 WeakPolarHBondContact OG-CG 3.39Å; S30-E373 PolarHBondContact OG-OE1 3.28Å
31L89.2Confident86.6Confident70 Ų7060.8 Ų60.837%0.36634%0.335SS..BIsolated β-bridgetrans-62.6136.3-177.4-168.870.2000112.9P22 F24 Y33 H50P22-L31 HydrophobicContact CB-CD1 3.66Å; F24-L31 HydrophobicContact CD1-CB 4.28Å; F24-L31 HydrophobicContact CD1-CD1 4.26Å; F24-L31 HydrophobicContact CE1-CB 4.15Å; F24-L31 HydrophobicContact CE1-CD1 4.01Å; F24-L31 HydrophobicContact CE2-CD1 4.27Å; F24-L31 HydrophobicContact CZ-CD1 4.01Å; L31-Y33 WeakPolarHBondContact O-CD1 3.37Å; L31-Y33 PolarHBondContact O-N 3.33Å; L31-Y33 VanDerWaalsContact O-N 3.14Å; L31-H50 PolarHBondContact O-NE2 2.93Å
32L87.1Confident87.1Confident8 Ų859.4 Ų59.44%0.04233%0.325CS..  trans-77.488.5167.8-59177.2000108.7F19 T23 C25 Q38 N48 A49 H50F19-L32 HydrophobicContact CD1-CD1 4.22Å; F19-L32 HydrophobicContact CD2-CB 4.47Å; F19-L32 HydrophobicContact CD2-CD1 3.87Å; F19-L32 HydrophobicContact CE1-CD1 3.94Å; F19-L32 HydrophobicContact CE2-CD1 3.56Å; F19-L32 HydrophobicContact CG-CD1 4.17Å; F19-L32 HydrophobicContact CZ-CD1 3.59Å; T23-L32 HydrophobicContact CG2-CD1 3.77Å; T23-L32 VanDerWaalsContact O-CB 3.22Å; T23-L32 WeakPolarHBondContact O-CB 3.48Å; T23-L32 VanDerWaalsContact O-CG 3.28Å; T23-L32 WeakPolarHBondContact O-CG 3.31Å; T23-L32 PolarHBondContact O-N 3.06Å; C25-L32 HydrophobicContact CB-CD2 3.91Å; L32-Q38 HydrophobicContact CB-CB 4.03Å; L32-Q38 WeakPolarHBondContact O-CB 3.43Å; L32-N48 HydrophobicContact CD1-CB 3.84Å; L32-A49 VanDerWaalsContact CD2-C 3.46Å; L32-H50 HydrophobicContact CD2-CB 4.25Å; L32-H50 VanDerWaalsContact CD2-CD2 3.46Å; L32-H50 WeakPolarHBondContact CD2-CD2 3.48Å; L32-H50 VanDerWaalsContact CD2-N 3.29Å
33Y80.4Confident87.4Confident136 Ų13660.1 Ų60.153%0.53332%0.321SS..  trans-86.1150-175.862.6-89.5000113.1L31 Q38L31-Y33 WeakPolarHBondContact O-CD1 3.37Å; L31-Y33 PolarHBondContact O-N 3.33Å; L31-Y33 VanDerWaalsContact O-N 3.14Å; Y33-Q38 WeakPolarHBondContact O-CB 3.44Å
34G75.1Confident87.4Confident50 Ų5062.5 Ų62.552%0.51534%0.342SS..SBendtrans131.7163.4176.900000113.4Q38G34-Q38 VanDerWaalsContact C-CG 3.5Å; G34-Q38 WeakPolarHBondContact O-CG 3.26Å; G34-Q38 PolarHBondContact O-NE2 3.05Å
35L74.5Confident87.3Confident171 Ų17159.9 Ų59.990%0.89534%0.336SS*.SBendtrans-83.1-28.9-179.6-67172.5000113.4
36V82.5Confident87.3Confident98 Ų9863.3 Ų63.359%0.59436%0.359SS*.SBendtrans-150.6149.9178.3-80.10000108.7Q38V36-Q38 VanDerWaalsContact C-N 3.27Å; V36-Q38 PolarHBondContact O-N 2.84Å
37K86.9Confident87.4Confident135 Ų13560.4 Ų60.459%0.58734%0.343SS*.  trans54.442.5175.1-59.1-176.4170.5-178.90111.9V16 Y17 N18 G39 H51V16-K37 HydrophobicContact CG1-CB 3.5Å; V16-K37 HydrophobicContact CG1-CD 3.74Å; V16-K37 HydrophobicContact CG1-CG 3.51Å; Y17-K37 WeakPolarHBondContact O-CA 3.4Å; N18-K37 WeakPolarHBondContact OD1-CA 3.49Å; N18-K37 VanDerWaalsContact OD1-CG 3.25Å; N18-K37 WeakPolarHBondContact OD1-CG 3.42Å; N18-K37 PolarHBondContact OD1-N 2.73Å; K37-G39 PolarHBondContact O-N 3.36Å; K37-H51 PolarHBondContact O-NE2 3.48Å
38Q92.3Very high87.6Confident22 Ų2258.1 Ų58.110%0.10333%0.334CS..  trans-63.2-27.1-173.4-55.488.6-20.400112.7F19 L32 Y33 G34 V36F19-Q38 HydrophobicContact CD2-CB 4.07Å; F19-Q38 PolarHBondContact O-NE2 3.15Å; L32-Q38 HydrophobicContact CB-CB 4.03Å; L32-Q38 WeakPolarHBondContact O-CB 3.43Å; Y33-Q38 WeakPolarHBondContact O-CB 3.44Å; G34-Q38 VanDerWaalsContact C-CG 3.5Å; G34-Q38 WeakPolarHBondContact O-CG 3.26Å; G34-Q38 PolarHBondContact O-NE2 3.05Å; V36-Q38 VanDerWaalsContact C-N 3.27Å; V36-Q38 PolarHBondContact O-N 2.84Å
39G93.7Very high87.9Confident0 Ų056.3 Ų56.30%032%0.322CS..EExtended strand (participates in β ladder)trans-163.5-157.3177.800000112.2Y17 K37 A49Y17-G39 PolarHBondContact N-O 3.33Å; K37-G39 PolarHBondContact O-N 3.36Å; G39-A49 CarbonylContact C-O 3.58Å; G39-A49 WeakPolarHBondContact CA-O 3.49Å
40V95.8Very high88.5Confident11 Ų1155 Ų557%0.06731%0.305CS..EExtended strand (participates in β ladder)trans-119.5149.4175.7-640000110.7F14 R15 V16 N48 A49 A54F14-V40 HydrophobicContact CB-CB 3.89Å; F14-V40 HydrophobicContact CB-CG1 4.41Å; F14-V40 HydrophobicContact CB-CG2 3.92Å; F14-V40 HydrophobicContact CD1-CB 3.94Å; F14-V40 HydrophobicContact CD1-CG2 3.41Å; F14-V40 VanDerWaalsContact CD1-CG2 3.41Å; F14-V40 HydrophobicContact CD2-CG2 4.42Å; F14-V40 HydrophobicContact CE1-CG2 4.03Å; F14-V40 HydrophobicContact CG-CB 4.15Å; F14-V40 HydrophobicContact CG-CG2 3.67Å; R15-V40 CarbonylContact O-C 3.54Å; R15-V40 WeakPolarHBondContact O-CA 2.97Å; V16-V40 HydrophobicContact CG2-CG1 4.35Å; V40-N48 WeakPolarHBondContact O-CA 3.39Å; V40-A49 HydrophobicContact CG2-CB 4.12Å; V40-A49 WeakPolarHBondContact CG2-O 3.15Å; V40-A49 PolarHBondContact N-O 2.76Å; V40-A49 PolarHBondContact O-N 3.17Å; V40-A54 HydrophobicContact CG2-CB 3.64Å
41K95.1Very high89Confident56 Ų5658.3 Ų58.324%0.24332%0.317CS..EExtended strand (participates in β ladder)trans-122.2132.4173-173.5170-175.3174.80109.5R15 Y17 F19 E43 L47 N48R15-K41 PolarHBondContact N-O 3.47Å; R15-K41 PolarHBondContact O-N 3.44Å; Y17-K41 HydrophobicContact CD1-CB 4.49Å; Y17-K41 HydrophobicContact CD1-CD 4.29Å; Y17-K41 HydrophobicContact CD2-CB 4.21Å; Y17-K41 HydrophobicContact CD2-CD 4.25Å; Y17-K41 HydrophobicContact CE1-CD 4.31Å; Y17-K41 HydrophobicContact CE2-CD 4.28Å; Y17-K41 HydrophobicContact CG-CB 3.92Å; Y17-K41 HydrophobicContact CG-CD 4.26Å; F19-K41 HydrophobicContact CZ-CB 4.16Å; K41-E43 PolarHBondContact O-N 3.1Å; K41-L47 CarbonylContact C-O 3.55Å; K41-L47 WeakPolarHBondContact CA-O 3.32Å; K41-N48 WeakPolarHBondContact CG-OD1 3.27Å
42C93.5Very high89.2Confident0 Ų060 Ų600%032%0.322CS..EExtended strand (participates in β ladder)trans-71.2123.3173.3-176.90000109.2H12 R13 F14 A44 C46 L47 C61H12-C42 HydrophobicContact CB-CB 4.41Å; R13-C42 PolarHBondContact N-SG 3.09Å; R13-C42 WeakPolarHBondContact O-CA 3.4Å; F14-C42 HydrophobicContact CD1-CB 4.05Å; F14-C42 HydrophobicContact CE1-CB 3.92Å; C42-A44 PolarHBondContact O-N 2.77Å; C42-C46 WeakPolarHBondContact O-CA 3.43Å; C42-C46 PolarHBondContact O-N 3.09Å; C42-L47 HydrophobicContact CB-CB 4.32Å; C42-L47 PolarHBondContact N-O 3.37Å; C42-C61 PolarHBondContact SG-SG 2.86Å
43E93.1Very high89.6Confident108 Ų10859.9 Ų59.951%0.50532%0.322SS..THydrogen-bonded Turntrans-66.4-24.1179-65.3-169.9122.400113R13 R15 K41R13-E43 PolarHBondContact O-N 2.89Å; R15-E43 HydrophobicContact CB-CG 4.38Å; R15-E43 WeakPolarHBondContact CD-OE1 3.48Å; R15-E43 HydrophobicContact CG-CG 3.94Å; R15-E43 IonicContact CZ-OE1 3.79Å; R15-E43 IonicContact CZ-OE2 2.69Å; R15-E43 IonicContact NE-OE1 3.58Å; R15-E43 PolarHBondContact NE-OE1 2.86Å; R15-E43 IonicContact NE-OE2 3.43Å; R15-E43 PolarHBondContact NE-OE2 3.32Å; R15-E43 IonicContact NH1-OE1 2.75Å; R15-E43 IonicContact NH2-OE1 2.69Å; R15-E43 PolarHBondContact NH2-OE1 2.84Å; R15-E43 IonicContact NH2-OE2 2.72Å; R15-E43 PolarHBondContact NH2-OE2 2.9Å; R15-E43 VanDerWaalsContact NH2-OE2 3.17Å; K41-E43 PolarHBondContact O-N 3.1Å
44A86.3Confident90.1Very high71 Ų7154.4 Ų54.459%0.58731%0.305SS*.THydrogen-bonded Turntrans-89.7-53.1-176.900000112.9C42C42-A44 PolarHBondContact O-N 2.77Å
45C87.5Confident90.9Very high45 Ų4557 Ų5730%0.30432%0.315SS..THydrogen-bonded Turntrans-105.65-174.871.20000114.2H12 L47H12-C45 VanDerWaalsContact CE1-SG 3.54Å; H12-C45 PolarHBondContact ND1-SG 2.68Å; C45-L47 PolarHBondContact O-N 3.47Å; C45-L47 VanDerWaalsContact SG-CB 3.59Å
46C90.4Very high91.6Very high74 Ų7453.9 Ų53.950%0.530%0.298SS..  trans59.812.3179-670000116.8C42 N48C42-C46 WeakPolarHBondContact O-CA 3.43Å; C42-C46 PolarHBondContact O-N 3.09Å; C46-N48 PolarHBondContact O-OD1 2.88Å
47L89.9Confident91.7Very high34 Ų3450.2 Ų50.218%0.17828%0.275CS..  trans-67.3135.2177.5-165.6152.4000111.1F14 D26 K41 C42 C45 A49 M57F14-L47 HydrophobicContact CE1-CD2 4.21Å; F14-L47 HydrophobicContact CZ-CD2 4.22Å; D26-L47 HydrophobicContact CB-CD1 4.17Å; D26-L47 HydrophobicContact CB-CD2 3.62Å; D26-L47 HydrophobicContact CB-CG 3.6Å; D26-L47 WeakPolarHBondContact OD2-CG 3.33Å; K41-L47 CarbonylContact C-O 3.55Å; K41-L47 WeakPolarHBondContact CA-O 3.32Å; C42-L47 HydrophobicContact CB-CB 4.32Å; C42-L47 PolarHBondContact N-O 3.37Å; C45-L47 PolarHBondContact O-N 3.47Å; C45-L47 VanDerWaalsContact SG-CB 3.59Å; L47-A49 HydrophobicContact CD2-CB 4.4Å; L47-M57 HydrophobicContact CD1-CE 3.34Å; L47-M57 HydrophobicContact CD2-CE 3.47Å; L47-M57 VanDerWaalsContact CD2-CE 3.47Å; L47-M57 HydrophobicContact CD2-SD 4.16Å; L47-M57 HydrophobicContact CG-CE 4.05Å
48N93.4Very high91.6Very high30 Ų3047.1 Ų47.116%0.1627%0.269CS..EExtended strand (participates in β ladder)trans-106.5131.8-177.5-41.9-63.6000110.1F19 T23 D26 L32 V40 K41 C46F19-N48 HydrophobicContact CE1-CB 3.82Å; F19-N48 VanDerWaalsContact CE1-OD1 3.32Å; F19-N48 WeakPolarHBondContact CE1-OD1 2.92Å; F19-N48 HydrophobicContact CZ-CB 3.93Å; T23-N48 HydrophobicContact CG2-CB 3.84Å; D26-N48 PolarHBondContact N-O 2.81Å; D26-N48 PolarHBondContact OD2-N 2.92Å; D26-N48 VanDerWaalsContact OD2-O 3.13Å; L32-N48 HydrophobicContact CD1-CB 3.84Å; V40-N48 WeakPolarHBondContact O-CA 3.39Å; K41-N48 WeakPolarHBondContact CG-OD1 3.27Å; C46-N48 PolarHBondContact O-OD1 2.88Å
49A93.6Very high91.3Very high0 Ų049.1 Ų49.10%028%0.28CS..EExtended strand (participates in β ladder)trans-143.9153.4179.600000112.2F14 C25 L32 G39 V40 L47 C53F14-A49 HydrophobicContact CE1-CB 4.29Å; F14-A49 HydrophobicContact CZ-CB 4.41Å; C25-A49 VanDerWaalsContact SG-CA 3.52Å; L32-A49 VanDerWaalsContact CD2-C 3.46Å; G39-A49 CarbonylContact C-O 3.58Å; G39-A49 WeakPolarHBondContact CA-O 3.49Å; V40-A49 HydrophobicContact CG2-CB 4.12Å; V40-A49 WeakPolarHBondContact CG2-O 3.15Å; V40-A49 PolarHBondContact N-O 2.76Å; V40-A49 PolarHBondContact O-N 3.17Å; L47-A49 HydrophobicContact CD2-CB 4.4Å; A49-C53 HydrophobicContact CB-CB 4.17Å
50H94.6Very high90.9Very high12 Ų1250.3 Ų50.36%0.05629%0.287CS..  trans-61.2153.9165.8-60.4101.8000109.4C25 C28 S30 L31 L32 K52 C53 A54C25-H50 VanDerWaalsContact CB-CE1 3.44Å; C25-H50 WeakPolarHBondContact CB-CE1 3.38Å; C25-H50 VanDerWaalsContact CB-ND1 3.33Å; C25-H50 WeakPolarHBondContact CB-ND1 3.46Å; C25-H50 PolarHBondContact SG-N 2.75Å; C25-H50 VanDerWaalsContact SG-N 3.43Å; C28-H50 PolarHBondContact SG-CE1 2.86Å; C28-H50 PolarHBondContact SG-ND1 2.84Å; C28-H50 VanDerWaalsContact SG-ND1 3.4Å; S30-H50 PolarHBondContact O-CE1 3.34Å; L31-H50 PolarHBondContact O-NE2 2.93Å; L32-H50 HydrophobicContact CD2-CB 4.25Å; L32-H50 VanDerWaalsContact CD2-CD2 3.46Å; L32-H50 WeakPolarHBondContact CD2-CD2 3.48Å; L32-H50 VanDerWaalsContact CD2-N 3.29Å; H50-K52 HydrophobicContact CB-CG 3.89Å; H50-K52 PolarHBondContact O-N 3.09Å; H50-K52 VanDerWaalsContact O-N 3.16Å; H50-C53 HydrophobicContact CB-CB 4.08Å; H50-C53 WeakPolarHBondContact O-CA 3.34Å; H50-C53 PolarHBondContact O-N 3.15Å; H50-A54 PolarHBondContact O-N 3.28Å
51H95.4Very high90.5Very high93 Ų9350.3 Ų50.343%0.43129%0.288SS..Hα-helixtrans-50.4-42.2173.5-63.7-77.5000112.4K37 A54K37-H51 PolarHBondContact O-NE2 3.48Å; H51-A54 WeakPolarHBondContact O-CB 3.47Å
52K93.2Very high89.7Confident107 Ų10750.7 Ų50.747%0.46531%0.308SS..Hα-helixtrans-70.8-26.717766.5-176.4179.5-174.60114H50H50-K52 HydrophobicContact CB-CG 3.89Å; H50-K52 PolarHBondContact O-N 3.09Å; H50-K52 VanDerWaalsContact O-N 3.16Å
53C94.5Very high88.7Confident5 Ų552.7 Ų52.73%0.03432%0.32CS..Hα-helixtrans-85.5-23.7-178.6-69.40000112.2H27 A49 H50 S55 L56 M57H27-C53 HydrophobicContact CB-CB 3.74Å; A49-C53 HydrophobicContact CB-CB 4.17Å; H50-C53 HydrophobicContact CB-CB 4.08Å; H50-C53 WeakPolarHBondContact O-CA 3.34Å; H50-C53 PolarHBondContact O-N 3.15Å; C53-S55 VanDerWaalsContact C-N 3.27Å; C53-S55 PolarHBondContact O-N 2.74Å; C53-L56 WeakPolarHBondContact O-CB 3.39Å; C53-L56 PolarHBondContact O-N 3.4Å; C53-M57 PolarHBondContact O-N 3.18Å
54A92Very high87.6Confident21 Ų2149.3 Ų49.317%0.17431%0.305CS..Hα-helixtrans-52.7-41.718000000113.3F14 V40 H50 H51 L56F14-A54 HydrophobicContact CD2-CB 3.77Å; F14-A54 HydrophobicContact CE2-CB 3.98Å; F14-A54 WeakPolarHBondContact CE2-O 3.38Å; F14-A54 HydrophobicContact CG-CB 4.23Å; V40-A54 HydrophobicContact CG2-CB 3.64Å; H50-A54 PolarHBondContact O-N 3.28Å; H51-A54 WeakPolarHBondContact O-CB 3.47Å; A54-L56 VanDerWaalsContact C-N 3.29Å; A54-L56 PolarHBondContact O-N 3.39Å
55S90.2Very high86.4Confident104 Ų10451.8 Ų51.873%0.72731%0.305SS*.THydrogen-bonded Turntrans-77.7-11.4179.158.30000114.3C53C53-S55 VanDerWaalsContact C-N 3.27Å; C53-S55 PolarHBondContact O-N 2.74Å
56L89.8Confident85Confident105 Ų10553.1 Ų53.155%0.5531%0.306SS..THydrogen-bonded Turntrans-95.6-10.3178.9-57.6176.6000112H27 C53 A54H27-L56 VanDerWaalsContact NE2-CB 3.29Å; H27-L56 WeakPolarHBondContact NE2-CB 3.4Å; C53-L56 WeakPolarHBondContact O-CB 3.39Å; C53-L56 PolarHBondContact O-N 3.4Å; A54-L56 VanDerWaalsContact C-N 3.29Å; A54-L56 PolarHBondContact O-N 3.39Å
57M85.2Confident83.8Confident22 Ų2253.1 Ų53.111%0.10830%0.299CS..SBendtrans-69.5132.9178.5-70.5-64.6-61.300110.9F14 H27 L47 C53F14-M57 HydrophobicContact CE2-CB 4.25Å; F14-M57 HydrophobicContact CE2-CG 4.26Å; F14-M57 HydrophobicContact CZ-CB 4.3Å; F14-M57 HydrophobicContact CZ-CG 3.95Å; H27-M57 HydrophobicContact CB-CG 4.46Å; H27-M57 HydrophobicContact CB-SD 3.51Å; H27-M57 VanDerWaalsContact CB-SD 3.51Å; L47-M57 HydrophobicContact CD1-CE 3.34Å; L47-M57 HydrophobicContact CD2-CE 3.47Å; L47-M57 VanDerWaalsContact CD2-CE 3.47Å; L47-M57 HydrophobicContact CD2-SD 4.16Å; L47-M57 HydrophobicContact CG-CE 4.05Å; C53-M57 PolarHBondContact O-N 3.18Å
58P83.6Confident82.5Confident70 Ų7053.5 Ų53.546%0.45530%0.301SS..  trans-62.6141.6175.324.4-31.3000110.9H12 V60H12-P58 PolarHBondContact CD2-O 3.14Å; H12-P58 PolarHBondContact NE2-O 3.33Å; P58-V60 HydrophobicContact CB-CG2 4.11Å; P58-V60 HydrophobicContact CG-CG2 4.09Å; P58-V60 PolarHBondContact O-N 3Å
59N87.4Confident81.1Confident63 Ų6354.2 Ų54.234%0.33731%0.311SS..SBendtrans-76.265.7179.4-72.6-17.6000111.8D9 I10 P11D9-N59 CarbonylContact C-O 3.44Å; D9-N59 WeakPolarHBondContact CA-O 3.42Å; D9-N59 WeakPolarHBondContact OD1-CB 3.33Å; D9-N59 VanDerWaalsContact OD1-CG 3.31Å; D9-N59 PolarHBondContact OD1-ND2 3.4Å; I10-N59 CarbonylContact C-O 3.49Å; I10-N59 PolarHBondContact N-O 3.28Å; I10-N59 CarbonylContact O-C 2.98Å; I10-N59 WeakPolarHBondContact O-CA 3.28Å; P11-N59 WeakPolarHBondContact CA-OD1 2.73Å
60V85.2Confident80Confident26 Ų2658 Ų5816%0.15833%0.331CS..BIsolated β-bridgetrans-128.338.3177.7-670000110.7I8 I10 P58 G62 V63 Q65I8-V60 HydrophobicContact CG2-CG1 4.47Å; I10-V60 PolarHBondContact O-N 3.25Å; P58-V60 HydrophobicContact CB-CG2 4.11Å; P58-V60 HydrophobicContact CG-CG2 4.09Å; P58-V60 PolarHBondContact O-N 3Å; V60-G62 PolarHBondContact O-N 2.62Å; V60-V63 HydrophobicContact CB-CB 4.31Å; V60-V63 WeakPolarHBondContact O-CB 3.41Å; V60-V63 PolarHBondContact O-N 3.17Å; V60-Q65 HydrophobicContact CG2-CG 4.19Å
61C87.6Confident78.6Confident11 Ų1159.4 Ų59.47%0.07435%0.345CS..THydrogen-bonded Turntrans-60.3123.1-175178.10000111.9I10 H12 C42 V63I10-C61 HydrophobicContact CG2-CB 4.17Å; I10-C61 VanDerWaalsContact O-CB 3.32Å; I10-C61 WeakPolarHBondContact O-CB 3.39Å; I10-C61 PolarHBondContact O-N 2.82Å; H12-C61 HydrophobicContact CB-CB 4.27Å; C42-C61 PolarHBondContact SG-SG 2.86Å; C61-V63 PolarHBondContact O-N 3.23Å
62G77.4Confident77.2Confident64 Ų6457.9 Ų57.966%0.6634%0.34SS*.THydrogen-bonded Turntrans74.54.118000000114.3V60V60-G62 PolarHBondContact O-N 2.62Å
63V73.1Confident76.1Confident41 Ų4154.9 Ų54.925%0.24834%0.335CS..  trans-96.9124.7177.4-174.80000108.7I8 I10 V60 C61 Q65 L68I8-V63 HydrophobicContact CG2-CG2 4.08Å; I10-V63 HydrophobicContact CD1-CG2 3.8Å; V60-V63 HydrophobicContact CB-CB 4.31Å; V60-V63 WeakPolarHBondContact O-CB 3.41Å; V60-V63 PolarHBondContact O-N 3.17Å; C61-V63 PolarHBondContact O-N 3.23Å; V63-Q65 PolarHBondContact O-N 3.47Å; V63-L68 HydrophobicContact CG1-CB 4.32Å; V63-L68 HydrophobicContact CG1-CD2 4.36Å
64N68.4Low75Confident37 Ų3761.4 Ų61.420%0.19837%0.365CS..  trans-68.8111.9169.8-178.6-19.3000108.7Q66 Q67 L68 N206N64-Q66 PolarHBondContact O-N 2.86Å; N64-Q66 WeakPolarHBondContact OD1-CB 3.49Å; N64-Q66 PolarHBondContact OD1-N 3.46Å; N64-Q67 HydrophobicContact CB-CB 4.09Å; N64-Q67 HydrophobicContact CB-CG 4.14Å; N64-Q67 PolarHBondContact O-N 3.29Å; N64-Q67 PolarHBondContact OD1-N 3.39Å; N64-L68 PolarHBondContact O-N 2.87Å; N64-N206 PolarHBondContact ND2-ND2 2.89Å; N64-N206 PolarHBondContact ND2-OD1 3.15Å
65Q61.3Low73.8Confident124 Ų12463.5 Ų63.558%0.57937%0.372SS*.Hα-helixtrans-63.4-29.3-176.5-66.9-175.26.400112.5V60 V63 A69V60-Q65 HydrophobicContact CG2-CG 4.19Å; V63-Q65 PolarHBondContact O-N 3.47Å; Q65-A69 WeakPolarHBondContact O-CB 3.28Å; Q65-A69 PolarHBondContact O-N 2.78Å
66Q58.3Low72.4Confident73 Ų7367 Ų6734%0.34137%0.369SS..Hα-helixtrans-74.1-47.6178.4-168.960.530.200111N64 L68 A69 D70N64-Q66 PolarHBondContact O-N 2.86Å; N64-Q66 WeakPolarHBondContact OD1-CB 3.49Å; N64-Q66 PolarHBondContact OD1-N 3.46Å; Q66-L68 PolarHBondContact O-N 3.46Å; Q66-A69 CarbonylContact O-C 3.58Å; Q66-A69 WeakPolarHBondContact O-CA 3.44Å; Q66-A69 WeakPolarHBondContact O-CB 3.37Å; Q66-A69 PolarHBondContact O-N 3.22Å; Q66-D70 PolarHBondContact NE2-OD1 2.83Å; Q66-D70 VanDerWaalsContact NE2-OD1 3.17Å; Q66-D70 VanDerWaalsContact O-CG 3.26Å; Q66-D70 PolarHBondContact O-N 2.99Å
67Q64.6Low70.6Confident74 Ų7467.1 Ų67.135%0.34637%0.37SS..Hα-helixtrans-59-35.5173.7-74.1-177.5-31.400112.1N64 A71 S478N64-Q67 HydrophobicContact CB-CB 4.09Å; N64-Q67 HydrophobicContact CB-CG 4.14Å; N64-Q67 PolarHBondContact O-N 3.29Å; N64-Q67 PolarHBondContact OD1-N 3.39Å; Q67-A71 WeakPolarHBondContact O-CB 3.36Å; Q67-A71 PolarHBondContact O-N 3.07Å; Q67-S478 PolarHBondContact NE2-OG 2.88Å
68L63.9Low68.9Low41 Ų4169.6 Ų69.622%0.21539%0.39CS..Hα-helixtrans-66.4-42.7172.7-179.259.4000111.7I8 V63 N64 Q66 L72I8-L68 HydrophobicContact CD1-CD1 3.34Å; I8-L68 HydrophobicContact CD1-CD2 3.82Å; I8-L68 HydrophobicContact CD1-CG 4.2Å; V63-L68 HydrophobicContact CG1-CB 4.32Å; V63-L68 HydrophobicContact CG1-CD2 4.36Å; N64-L68 PolarHBondContact O-N 2.87Å; Q66-L68 PolarHBondContact O-N 3.46Å; L68-L72 HydrophobicContact CD1-CD1 4.15Å; L68-L72 HydrophobicContact CD1-CG 4.26Å; L68-L72 HydrophobicContact CG-CD1 4.03Å; L68-L72 VanDerWaalsContact O-CB 3.31Å; L68-L72 WeakPolarHBondContact O-CB 3.3Å; L68-L72 WeakPolarHBondContact O-CD1 3.26Å; L68-L72 WeakPolarHBondContact O-CG 3.32Å; L68-L72 PolarHBondContact O-N 3.08Å
69A64.6Low67.4Low45 Ų4568.4 Ų68.437%0.37239%0.386SS..Hα-helixtrans-63.8-41.9176.800000112Q65 Q66 L72 A73Q65-A69 WeakPolarHBondContact O-CB 3.28Å; Q65-A69 PolarHBondContact O-N 2.78Å; Q66-A69 CarbonylContact O-C 3.58Å; Q66-A69 WeakPolarHBondContact O-CA 3.44Å; Q66-A69 WeakPolarHBondContact O-CB 3.37Å; Q66-A69 PolarHBondContact O-N 3.22Å; A69-L72 PolarHBondContact O-N 3.14Å; A69-A73 WeakPolarHBondContact O-CB 3.13Å; A69-A73 PolarHBondContact O-N 2.9Å
70D69.5Low65.5Low80 Ų8069.9 Ų69.943%0.42840%0.401SS..Hα-helixtrans-67.9-45.9178.9-64.5-23.3000111Q66 L72 A73 E74Q66-D70 PolarHBondContact NE2-OD1 2.83Å; Q66-D70 VanDerWaalsContact NE2-OD1 3.17Å; Q66-D70 VanDerWaalsContact O-CG 3.26Å; Q66-D70 PolarHBondContact O-N 2.99Å; D70-L72 VanDerWaalsContact C-N 3.28Å; D70-L72 PolarHBondContact O-N 3.32Å; D70-A73 CarbonylContact O-C 3.42Å; D70-A73 WeakPolarHBondContact O-CA 3.43Å; D70-A73 WeakPolarHBondContact O-CB 3.49Å; D70-A73 PolarHBondContact O-N 3.09Å; D70-E74 PolarHBondContact O-N 2.81Å
71A66.2Low63.6Low42 Ų4277.1 Ų77.135%0.34743%0.431SS..Hα-helixtrans-60.1-39173.500000111.8Q67 A73 I75Q67-A71 WeakPolarHBondContact O-CB 3.36Å; Q67-A71 PolarHBondContact O-N 3.07Å; A71-A73 VanDerWaalsContact C-N 3.33Å; A71-I75 WeakPolarHBondContact O-CD1 3.27Å; A71-I75 WeakPolarHBondContact O-CG1 3.07Å; A71-I75 PolarHBondContact O-N 2.79Å; A71-I75 VanDerWaalsContact O-N 3.09Å
72L66.2Low61.4Low61 Ų6182.4 Ų82.432%0.31946%0.463SS..Hα-helixtrans-69-30.6174.5-72.1170.7000112.4F6 L68 A69 D70 R76F6-L72 HydrophobicContact CB-CD2 4.46Å; F6-L72 HydrophobicContact CD2-CD2 3.99Å; F6-L72 HydrophobicContact CG-CD2 4.43Å; L68-L72 HydrophobicContact CD1-CD1 4.15Å; L68-L72 HydrophobicContact CD1-CG 4.26Å; L68-L72 HydrophobicContact CG-CD1 4.03Å; L68-L72 VanDerWaalsContact O-CB 3.31Å; L68-L72 WeakPolarHBondContact O-CB 3.3Å; L68-L72 WeakPolarHBondContact O-CD1 3.26Å; L68-L72 WeakPolarHBondContact O-CG 3.32Å; L68-L72 PolarHBondContact O-N 3.08Å; A69-L72 PolarHBondContact O-N 3.14Å; D70-L72 VanDerWaalsContact C-N 3.28Å; D70-L72 PolarHBondContact O-N 3.32Å; L72-R76 WeakPolarHBondContact O-CG 3.21Å; L72-R76 PolarHBondContact O-N 3.28Å
73A69.9Low59.3Low44 Ų4482.5 Ų82.536%0.36446%0.464SS..Hα-helixtrans-72.6-42.8175.300000111.7A69 D70 A71 I75 R76 L77A69-A73 WeakPolarHBondContact O-CB 3.13Å; A69-A73 PolarHBondContact O-N 2.9Å; D70-A73 CarbonylContact O-C 3.42Å; D70-A73 WeakPolarHBondContact O-CA 3.43Å; D70-A73 WeakPolarHBondContact O-CB 3.49Å; D70-A73 PolarHBondContact O-N 3.09Å; A71-A73 VanDerWaalsContact C-N 3.33Å; A73-I75 PolarHBondContact O-N 3.43Å; A73-R76 WeakPolarHBondContact O-CB 3.39Å; A73-R76 PolarHBondContact O-N 3.11Å; A73-R76 VanDerWaalsContact O-N 3.13Å; A73-L77 WeakPolarHBondContact O-CG 3.16Å; A73-L77 PolarHBondContact O-N 3.29Å
74E70.6Confident57.2Low141 Ų14185.8 Ų85.866%0.65949%0.489SS*.Hα-helixtrans-62-40.5174.6-75.4-171.8159.900112.4D70 R76 L77 S78D70-E74 PolarHBondContact O-N 2.81Å; E74-R76 VanDerWaalsContact C-N 3.27Å; E74-R76 PolarHBondContact O-N 3.32Å; E74-L77 PolarHBondContact O-N 3.08Å; E74-S78 PolarHBondContact O-N 2.93Å; E74-S78 PolarHBondContact O-OG 2.87Å
75I67.5Low55.5Low65 Ų6592 Ų9233%0.33352%0.522SS..Hα-helixtrans-64.6-32.6175.4-67.5166.4000111.3F6 A71 A73 S78 A79F6-I75 HydrophobicContact CE2-CD1 3.81Å; F6-I75 HydrophobicContact CZ-CD1 3.96Å; A71-I75 WeakPolarHBondContact O-CD1 3.27Å; A71-I75 WeakPolarHBondContact O-CG1 3.07Å; A71-I75 PolarHBondContact O-N 2.79Å; A71-I75 VanDerWaalsContact O-N 3.09Å; A73-I75 PolarHBondContact O-N 3.43Å; I75-S78 WeakPolarHBondContact CA-OG 2.81Å; I75-S78 PolarHBondContact O-OG 3.1Å; I75-S78 VanDerWaalsContact O-OG 3.06Å; I75-A79 PolarHBondContact O-N 3.46Å
76R59.3Low54.2Low177 Ų17791.2 Ų91.267%0.66853%0.53SS*.Hα-helixtrans-72.4-38.2175.2-76.2175.1-178.2169.95.6112.7L72 A73 E74 S80L72-R76 WeakPolarHBondContact O-CG 3.21Å; L72-R76 PolarHBondContact O-N 3.28Å; A73-R76 WeakPolarHBondContact O-CB 3.39Å; A73-R76 PolarHBondContact O-N 3.11Å; A73-R76 VanDerWaalsContact O-N 3.13Å; E74-R76 VanDerWaalsContact C-N 3.27Å; E74-R76 PolarHBondContact O-N 3.32Å; R76-S80 PolarHBondContact O-N 2.9Å; R76-S80 PolarHBondContact O-OG 3.23Å; R76-S80 VanDerWaalsContact O-OG 3.08Å
77L52.6Low53Low109 Ų10992.7 Ų92.757%0.57155%0.549SS*.Hα-helixtrans-68.7-43.7178-71.7166.9000111.3A73 E74 A79 S80 F81A73-L77 WeakPolarHBondContact O-CG 3.16Å; A73-L77 PolarHBondContact O-N 3.29Å; E74-L77 PolarHBondContact O-N 3.08Å; L77-A79 VanDerWaalsContact C-N 3.3Å; L77-A79 PolarHBondContact O-N 2.63Å; L77-S80 PolarHBondContact O-N 3.36Å; L77-F81 WeakPolarHBondContact O-CD2 3.4Å; L77-F81 PolarHBondContact O-N 2.82Å
78S50.3Low51.3Low73 Ų7394.2 Ų94.251%0.5157%0.568SS.*Hα-helixtrans-63.3-32.7176.348.30000113.2E74 I75 S80E74-S78 PolarHBondContact O-N 2.93Å; E74-S78 PolarHBondContact O-OG 2.87Å; I75-S78 WeakPolarHBondContact CA-OG 2.81Å; I75-S78 PolarHBondContact O-OG 3.1Å; I75-S78 VanDerWaalsContact O-OG 3.06Å; S78-S80 VanDerWaalsContact C-N 3.26Å; S78-S80 PolarHBondContact O-N 2.79Å
79A51.5Low49.7Very low45 Ų45100.3 Ų100.337%0.37260%0.6SS.*Hα-helixtrans-71-17.8173.600000114.1L2 I75 L77L2-A79 HydrophobicContact CD1-CB 4.29Å; I75-A79 PolarHBondContact O-N 3.46Å; L77-A79 VanDerWaalsContact C-N 3.3Å; L77-A79 PolarHBondContact O-N 2.63Å
80S47.6Very low48Very low95 Ų95103.2 Ų103.266%0.66462%0.618SS**Hα-helixtrans-94.1-15.5-178.3-59.70000113.3R76 L77 S78R76-S80 PolarHBondContact O-N 2.9Å; R76-S80 PolarHBondContact O-OG 3.23Å; R76-S80 VanDerWaalsContact O-OG 3.08Å; L77-S80 PolarHBondContact O-N 3.36Å; S78-S80 VanDerWaalsContact C-N 3.26Å; S78-S80 PolarHBondContact O-N 2.79Å
81F46.4Very low46.1Very low178 Ų178107.2 Ų107.278%0.78164%0.638SS**SBendtrans-87.2-6.5175.3-84.5-79000114.3L77L77-F81 WeakPolarHBondContact O-CD2 3.4Å; L77-F81 PolarHBondContact O-N 2.82Å
82T40.1Very low44.2Very low121 Ų121110.1 Ų110.174%0.74266%0.655SS**SBendtrans-105.868.317255.20000110.3
83G33.8Very low42.3Very low67 Ų67113.6 Ų113.669%0.69167%0.673SS**  trans-173.647-174.900000116.2
84S28.7Very low40.2Very low110 Ų110119.1 Ų119.177%0.76969%0.692SS**  trans-154.295.4165.149.90000111.7
85N33.5Very low38.2Very low168 Ų168120 Ų12090%0.89870%0.701SS**  trans-155.6142146.3-105.5-13.4000110.6
86S33.8Very low36.2Very low107 Ų107122.2 Ų122.275%0.74872%0.722SS**  trans83.188.6170.577.80000120.7
87S33.2Very low35.3Very low104 Ų104119.6 Ų119.673%0.72773%0.728SS**  61.6117.3113.157.90000123
88S28.8Very low34.3Very low106 Ų106119.6 Ų119.674%0.74174%0.737SS**  61.1110.2124.5-41.50000120.8
89D30.7Very low33.3Very low168 Ų168122 Ų12290%0.89875%0.749SS**  -165.7141.8112.3-101.4-21.8000112.5
90S28.7Very low32.2Very low106 Ų106131.1 Ų131.174%0.74177%0.773SS**  trans-104.7147.9-177.2-58.50000110.8
91L29.9Very low31.1Very low164 Ų164131.2 Ų131.286%0.85977%0.774SS**  169.5107.2129.6-89.6158.4000112
92C25.4Very low30.4Very low104 Ų104128.4 Ų128.470%0.70378%0.777SS**  13.2146.3120.2-68.20000118.9
93L27.2Very low29.7Very low133 Ų133127.8 Ų127.870%0.69678%0.778SS**  cis-169.8148.320.2-98.8146.6000109.8
94Q25.7Very low29.8Very low161 Ų161130 Ų13075%0.75278%0.779SS**  trans51124.8138.7-70.6169.42.700123.4
95D27.7Very low29.8Very low158 Ų158131.7 Ų131.785%0.84578%0.775SS**  -164.2154.6105.3-100.5-24.6000112.4
96S26.1Very low29.7Very low112 Ų112131.6 Ų131.678%0.78377%0.767SS**  trans-144.6-169.1178.5-65.60000107.9
97P40.7Very low29.2Very low123 Ų123137.4 Ų137.480%0.79977%0.772SS**  -126.9-176-69.237.2-20.1000112.4
98S30.7Very low28.9Very low108 Ų108140.8 Ų140.876%0.75578%0.781SS**  trans-156114.8163.513.80000109.3
99T29.9Very low28.6Very low123 Ų123143.4 Ų143.476%0.75578%0.782SS**  97.1120.769.947.80000114.6
100R27.7Very low28.3Very low237 Ų237142.2 Ų142.289%0.89478%0.775SS**  trans57.4152.6138.6-74.5179.4175.1-163.2-1.2118.9
101S25Very low28.1Very low98 Ų98142.5 Ų142.569%0.68578%0.777SS**  cis177.2163.3-14.450.40000106.3
102S30.6Very low28Very low118 Ų118138.6 Ų138.683%0.82578%0.776SS**  trans96.7117.4156.175.40000121.4
103S26.1Very low27.8Very low109 Ų109139.3 Ų139.376%0.76278%0.782SS**  trans-78.5-177.4153.351.90000110.8
104P36.8Very low27.7Very low112 Ų112137.8 Ų137.873%0.72778%0.783SS**  cis-152.1-172.122.935.1-7.9000118.2
105E28.4Very low27.7Very low147 Ų147139.5 Ų139.569%0.68779%0.788SS**  trans129.6127.9139-70.5-148.4129.600120.4
106K30.6Very low27.6Very low165 Ų165137.8 Ų137.872%0.71779%0.788SS**  trans79.8102.6137.7-76.1170.1-176.61450124.3
107R23.8Very low27.5Very low230 Ų230137.2 Ų137.287%0.86879%0.79SS**  52.8116.7114.1-171.5-178.7-90.8-155.2-2.7120.4
108L26.7Very low26.9Very low175 Ų175137.4 Ų137.492%0.91679%0.785SS**  trans-158.5140.7130.9-117.4122.1000112.1
109Q22.5Very low26.7Very low160 Ų160137.7 Ų137.775%0.74879%0.787SS**  trans-78.1159.2171.1-59.5175.1-2200108.9
110L24.5Very low26.7Very low143 Ų143136.7 Ų136.775%0.74978%0.784SS**  -176.5153.155.1-140.4120.6000110.3
111S23.8Very low26.9Very low113 Ų113129.6 Ų129.679%0.7977%0.767SS**  trans58.5115158.460.50000122.3
112G27.3Very low27Very low81 Ų81134.3 Ų134.384%0.83577%0.771SS**  trans-170.3115.6158.100000110.2
113S22.8Very low27Very low119 Ų119132 Ų13283%0.83276%0.759SS**  trans-74.6156.9-170.4-163.10000113.8
114S23.5Very low27.1Very low102 Ų102136.1 Ų136.171%0.71376%0.759SS**  trans93.5128.6159.978.40000120
115K26.1Very low27Very low197 Ų197140.4 Ų140.486%0.85776%0.761SS**  trans87.4103.6160.1-54.3-177-177.8-179.30118.4
116S25.7Very low27.2Very low122 Ų122141.8 Ų141.885%0.85377%0.765SS**  trans-174.396134.439.30000111.3
117A25.3Very low27.4Very low100 Ų100140 Ų14083%0.82676%0.759SS**  trans-116.871.915600000106.1
118D26.7Very low27.9Very low127 Ų127139.5 Ų139.568%0.67976%0.757SS**  trans-158.173.4175.7-100.9-31000108.3
119S26.9Very low28.3Very low114 Ų114137.8 Ų137.880%0.79775%0.749SS**SBendtrans-139.31.1170.6-157.60000113.3
120S30.7Very low28.8Very low101 Ų101135.6 Ų135.671%0.70674%0.741SS**SBendtrans-102.8-10.8174.952.30000114.2
121V30.9Very low29.4Very low89 Ų89134.3 Ų134.354%0.53973%0.734SS.*SBendtrans-101.7-19.9-174.2-178.50000113
122Y27.7Very low29.8Very low196 Ų196135.1 Ų135.177%0.76973%0.729SS**THydrogen-bonded Turntrans-81.7-16.3177.5-105.5-91.1000114.4
123A31.3Very low30.1Very low69 Ų69134.7 Ų134.757%0.5771%0.71SS**THydrogen-bonded Turntrans-77.3-24.117500000112.9
124Y27.7Very low30.6Very low196 Ų196134.7 Ų134.777%0.76970%0.7SS**THydrogen-bonded Turntrans-84.7-23.4-176.6-155-104.5000113.4
125R33.5Very low31.2Very low202 Ų202136.5 Ų136.576%0.76270%0.695SS**SBendtrans-83.6-17.9-178.4-113.4174.7171.6165.4-2.2114.5
126K33Very low31.4Very low176 Ų176133.2 Ų133.277%0.76569%0.687SS**SBendtrans-90.5-15.1-179.3-149173.8-178.8-177.60113.4
127Q35.4Very low31.6Very low129 Ų129133.9 Ų133.960%0.60368%0.68SS**THydrogen-bonded Turntrans-74.1-27.5172.3-136.4102.711.200112.3L129 I131Q127-L129 VanDerWaalsContact C-N 3.31Å; Q127-L129 PolarHBondContact O-N 3.32Å; Q127-I131 HydrophobicContact CG-CD1 3.96Å; Q127-I131 WeakPolarHBondContact O-CD1 3.43Å; Q127-I131 VanDerWaalsContact O-CG1 3.28Å; Q127-I131 WeakPolarHBondContact O-CG1 3.43Å; Q127-I131 PolarHBondContact O-N 2.85Å
128R34.7Very low31.9Very low218 Ų218133 Ų13382%0.82367%0.668SS**THydrogen-bonded Turntrans-78-10.5-176.3-150174.3170.6-176-3.3114.4
129L33.5Very low32.3Very low140 Ų140132.1 Ų132.173%0.73367%0.666SS**THydrogen-bonded Turntrans-109.5-9.6176.6-137.781.6000113.7Q127 T133Q127-L129 VanDerWaalsContact C-N 3.31Å; Q127-L129 PolarHBondContact O-N 3.32Å; L129-T133 PolarHBondContact O-OG1 3.2Å
130L33.7Very low32.5Very low114 Ų114131.2 Ų131.260%0.59766%0.66SS**THydrogen-bonded Turntrans-98.5-25.7176.8-155.574000112.3T133 L134L130-T133 WeakPolarHBondContact CA-OG1 3.45Å; L130-T133 PolarHBondContact O-N 3.43Å; L130-T133 PolarHBondContact O-OG1 3.07Å; L130-L134 PolarHBondContact O-N 3.29Å
131I37Very low32.5Very low115 Ų115131.5 Ų131.559%0.5966%0.662SS**Hα-helixtrans-75.3-25.9174.8-66.8169.6000111.6Q127Q127-I131 HydrophobicContact CG-CD1 3.96Å; Q127-I131 WeakPolarHBondContact O-CD1 3.43Å; Q127-I131 VanDerWaalsContact O-CG1 3.28Å; Q127-I131 WeakPolarHBondContact O-CG1 3.43Å; Q127-I131 PolarHBondContact O-N 2.85Å
132L32.2Very low32.6Very low130 Ų130135.2 Ų135.268%0.68168%0.678SS**Hα-helixtrans-78.4-19.4172.6-140.284000113.1
133T33.1Very low32.6Very low73 Ų73135 Ų13545%0.44868%0.684SS.*Hα-helixtrans-97.2-17.1179.719.90000113.8L129 L130L129-T133 PolarHBondContact O-OG1 3.2Å; L130-T133 WeakPolarHBondContact CA-OG1 3.45Å; L130-T133 PolarHBondContact O-N 3.43Å; L130-T133 PolarHBondContact O-OG1 3.07Å
134L33.8Very low32.3Very low119 Ų119142.1 Ų142.162%0.62370%0.696SS**Hα-helixtrans-85.3-13.1168.7-75.4162000113.1L130L130-L134 PolarHBondContact O-N 3.29Å
135F36.2Very low32.3Very low140 Ų140141 Ų14161%0.61470%0.698SS**SBendtrans-79.1-20.1173.2-155.2-102.4000113.1V139F135-V139 VanDerWaalsContact O-CG2 3.27Å; F135-V139 WeakPolarHBondContact O-CG2 3.1Å
136L30.6Very low32.1Very low128 Ų128138.2 Ų138.267%0.6770%0.697SS**SBendtrans-98.52.4-178.1-71.2167.4000114.1
137L29.9Very low31.9Very low135 Ų135135.2 Ų135.271%0.70770%0.698SS**SBendtrans-1161.3-178.6-74.3167000114.3
138S32Very low31.8Very low83 Ų83136.4 Ų136.458%0.5871%0.707SS**SBendtrans-106.5-6.4171.261.80000113.9
139V35.4Very low31.3Very low107 Ų107134.5 Ų134.565%0.64871%0.705SS**THydrogen-bonded Turntrans-89-4.5-174.3-1670000112.9F135F135-V139 VanDerWaalsContact O-CG2 3.27Å; F135-V139 WeakPolarHBondContact O-CG2 3.1Å
140S29.6Very low31.1Very low96 Ų96133.1 Ų133.167%0.67171%0.708SS**THydrogen-bonded Turntrans-104.616.9-179.747.60000114.7
141S30.6Very low30.9Very low106 Ų106134 Ų13474%0.74172%0.717SS**SBendtrans-135.610.5-179.5-63.40000116.1
142L32.9Very low30.7Very low167 Ų167136 Ų13687%0.87473%0.728SS**  trans-124.341.2179.7-147.477.3000113.6
143Q28.2Very low30.7Very low191 Ų191135.3 Ų135.389%0.89373%0.732SS**SBendtrans-110.123.1175.2-147.3163.21.500112.7
144R25.7Very low30.6Very low219 Ų219138.2 Ų138.283%0.82675%0.749SS**SBendtrans-149.4114.7-177.8-139.8170167.5-175.8-5.1112
145Q26.8Very low30.9Very low174 Ų174139.9 Ų139.981%0.81376%0.756SS**  trans75.2112.6171.2-56.4170.3-23.700112.3
146I30.9Very low30.7Very low142 Ų142139 Ų13973%0.72876%0.761SS**  -154.5123.784.5-79.5145.2000110.1L148I146-L148 HydrophobicContact CG2-CB 4.35Å; I146-L148 HydrophobicContact CG2-CD1 3.54Å; I146-L148 HydrophobicContact CG2-CG 3.54Å
147S27.9Very low30.8Very low113 Ų113143.5 Ų143.579%0.7978%0.776SS**  trans-76115.8161.4176.20000108.1
148L32.8Very low31.2Very low154 Ų154140.5 Ų140.581%0.80677%0.766SS**  trans-11699.4172.4-93.3157.5000109.7I146I146-L148 HydrophobicContact CG2-CB 4.35Å; I146-L148 HydrophobicContact CG2-CD1 3.54Å; I146-L148 HydrophobicContact CG2-CG 3.54Å
149K25.3Very low31.7Very low178 Ų178146.9 Ų146.977%0.77478%0.783SS**  trans-70.3141.7162.5-74.1175.8172.9177.20109.5
150S27.5Very low32.6Very low112 Ų112147.7 Ų147.778%0.78378%0.778SS**  trans69.4124.5168.575.70000114.8
151V30.7Very low34.1Very low132 Ų132149 Ų14980%0.877%0.772SS**  cis-143.710736.51770000109.2
152L33.1Very low36.4Very low156 Ų156154 Ų15482%0.81777%0.774SS**SBendtrans-133.4136.6160-77.6171.9000106.7V154L152-V154 PolarHBondContact O-N 2.81Å; L152-V154 VanDerWaalsContact O-N 3.1Å
153P32.5Very low39.1Very low117 Ų117146.8 Ų146.876%0.7674%0.737SS**  trans-63.2119.317625.4-29.5000108.2M155P153-M155 PolarHBondContact O-N 2.96Å; P153-M155 VanDerWaalsContact O-N 3.09Å
154V31Very low42.2Very low134 Ų134139.6 Ų139.681%0.81271%0.707SS**  trans-54.9114.9175.5172.30000108.2L152 T156L152-V154 PolarHBondContact O-N 2.81Å; L152-V154 VanDerWaalsContact O-N 3.1Å; V154-T156 PolarHBondContact O-N 3.39Å
155M39.4Very low45.4Very low154 Ų154131.9 Ų131.976%0.75968%0.682SS**  trans-62.5111.6172.5-68.3-175.974.800108.8P153 K157P153-M155 PolarHBondContact O-N 2.96Å; P153-M155 VanDerWaalsContact O-N 3.09Å; M155-K157 PolarHBondContact O-N 3.15Å
156T32.5Very low48.6Very low120 Ų120127 Ų12774%0.73667%0.667SS**  trans-60.7124.3170.353.50000109.2V154 S158V154-T156 PolarHBondContact O-N 3.39Å; T156-S158 PolarHBondContact O-N 3.01Å
157K31.9Very low51.6Low223 Ų223122.3 Ų122.397%0.9764%0.644SS**  trans-63.678170.2-74.2-179.5176.6177.40110.5M155M155-K157 PolarHBondContact O-N 3.15Å
158S38.2Very low54.8Low73 Ų73117.3 Ų117.351%0.5161%0.608SS.*  trans-95.6140.6159.8168.80000107.8T156 K160T156-S158 PolarHBondContact O-N 3.01Å; S158-K160 PolarHBondContact O-N 3.24Å
159K42.8Very low57.8Low216 Ų216112.8 Ų112.894%0.93958%0.584SS**  trans-66.350172.1-71-178176.3177.80111.3K161K159-K161 PolarHBondContact O-N 3.45Å
160K53.8Low61.2Low125 Ų125106.9 Ų106.954%0.54356%0.56SS.*  trans-65.9125172.7-77.3178.3171-176.80107.3S158 R162 W496S158-K160 PolarHBondContact O-N 3.24Å; K160-R162 PolarHBondContact O-N 3.24Å; K160-W496 HydrophobicContact CB-CZ2 3.85Å; K160-W496 HydrophobicContact CD-CZ2 4.15Å; K160-W496 HydrophobicContact CG-CZ2 4.43Å
161K62.3Low64.4Low123 Ų123104.6 Ų104.654%0.53554%0.539SS..  trans-42.3131.9173.2-82.5179.8171.1178.70108.3K159 W496 E498K159-K161 PolarHBondContact O-N 3.45Å; K161-W496 HydrophobicContact CB-CE3 4.42Å; K161-W496 WeakPolarHBondContact O-CH2 3.41Å; K161-W496 WeakPolarHBondContact O-CZ3 3.31Å; K161-E498 PolarHBondContact NZ-O 2.85Å; K161-E498 PolarHBondContact NZ-OXT 2.72Å
162R79.2Confident67.5Low210 Ų210101.7 Ų101.779%0.79252%0.515SS*.  trans-79.9127.3176.4-68.3178.684.2155.92.1108.1K160K160-R162 PolarHBondContact O-N 3.24Å
163I88.2Confident70.5Confident16 Ų1694.3 Ų94.38%0.08248%0.477CS..  trans-68.6141.4172.7-161.5164.8000109.4N167 F168 W234 F236 W496I163-N167 HydrophobicContact CG1-CB 4.43Å; I163-F168 HydrophobicContact CD1-CE2 3.68Å; I163-F168 HydrophobicContact CD1-CZ 3.49Å; I163-F168 VanDerWaalsContact CD1-CZ 3.49Å; I163-F168 HydrophobicContact CG1-CE2 3.78Å; I163-F168 HydrophobicContact CG1-CZ 4.13Å; I163-W234 HydrophobicContact CD1-CB 4.19Å; I163-W234 HydrophobicContact CD1-CD2 3.48Å; I163-W234 VanDerWaalsContact CD1-CD2 3.48Å; I163-W234 HydrophobicContact CD1-CE3 4.08Å; I163-W234 HydrophobicContact CD1-CG 3.52Å; I163-W234 HydrophobicContact CD1-CZ2 4.17Å; I163-W234 HydrophobicContact CG2-CB 4.22Å; I163-W234 HydrophobicContact CG2-CG 4.22Å; I163-F236 HydrophobicContact CG2-CB 3.93Å; I163-F236 HydrophobicContact CG2-CD1 3.84Å; I163-F236 HydrophobicContact CG2-CG 4.07Å; I163-W496 HydrophobicContact CB-CZ3 4.09Å
164S93Very high73.4Confident40 Ų4089.4 Ų89.428%0.2844%0.444SS..  trans-145170.3179.769.90000110.2S166 N167 F168S164-S166 PolarHBondContact O-N 3.37Å; S164-S166 VanDerWaalsContact O-N 3.17Å; S164-S166 PolarHBondContact OG-N 2.96Å; S164-S166 PolarHBondContact OG-OG 3.06Å; S164-N167 PolarHBondContact N-OD1 2.76Å; S164-N167 WeakPolarHBondContact O-CB 3.13Å; S164-N167 PolarHBondContact O-N 2.8Å; S164-N167 PolarHBondContact O-OD1 2.64Å; S164-N167 PolarHBondContact OG-OD1 3.25Å; S164-N167 VanDerWaalsContact OG-OD1 3.05Å; S164-F168 WeakPolarHBondContact O-CD2 3.19Å
165I93.4Very high76.3Confident58 Ų5883.7 Ų83.730%0.29741%0.413SS..G310 helixtrans-56.6-31.9176-166.8161.1000112.7N167 F168 M170 F236 F243 L468I165-N167 PolarHBondContact O-N 2.89Å; I165-N167 VanDerWaalsContact O-N 3.12Å; I165-F168 PolarHBondContact O-N 2.86Å; I165-F168 VanDerWaalsContact O-N 3.09Å; I165-M170 HydrophobicContact CD1-CE 3.24Å; I165-M170 HydrophobicContact CG1-CE 3.57Å; I165-F236 HydrophobicContact CB-CE2 4.15Å; I165-F236 HydrophobicContact CB-CZ 4.5Å; I165-F236 VanDerWaalsContact N-CE2 3.28Å; I165-F243 HydrophobicContact CD1-CE1 3.75Å; I165-F243 HydrophobicContact CD1-CZ 3.59Å; I165-F243 HydrophobicContact CG1-CZ 4.5Å; I165-L468 HydrophobicContact CD1-CD1 3.45Å; I165-L468 VanDerWaalsContact CD1-CD1 3.45Å
166S93.7Very high78.5Confident71 Ų7182.1 Ų82.150%0.49740%0.401SS..G310 helixtrans-64.5-16.9179.673.40000113.7S164 F168 K188S164-S166 PolarHBondContact O-N 3.37Å; S164-S166 VanDerWaalsContact O-N 3.17Å; S164-S166 PolarHBondContact OG-N 2.96Å; S164-S166 PolarHBondContact OG-OG 3.06Å; S166-F168 VanDerWaalsContact C-N 3.25Å; S166-F168 PolarHBondContact O-N 2.89Å; S166-K188 WeakPolarHBondContact O-CD 3.2Å; S166-K188 VanDerWaalsContact O-CE 3.31Å; S166-K188 WeakPolarHBondContact O-CE 3.25Å; S166-K188 PolarHBondContact O-NZ 3.32Å
167N94.5Very high80.5Confident44 Ų4478.8 Ų78.824%0.23539%0.391CS..G310 helixtrans-79.6-7.4177.2-59.6109.4000113.2I163 S164 I165 L187 K188I163-N167 HydrophobicContact CG1-CB 4.43Å; S164-N167 PolarHBondContact N-OD1 2.76Å; S164-N167 WeakPolarHBondContact O-CB 3.13Å; S164-N167 PolarHBondContact O-N 2.8Å; S164-N167 PolarHBondContact O-OD1 2.64Å; S164-N167 PolarHBondContact OG-OD1 3.25Å; S164-N167 VanDerWaalsContact OG-OD1 3.05Å; I165-N167 PolarHBondContact O-N 2.89Å; I165-N167 VanDerWaalsContact O-N 3.12Å; N167-L187 HydrophobicContact CB-CD1 4.42Å; N167-K188 WeakPolarHBondContact O-CB 3.38Å; N167-K188 WeakPolarHBondContact O-CG 3.25Å; N167-K188 PolarHBondContact O-N 2.97Å
168F95.7Very high82.2Confident8 Ų872.9 Ų72.94%0.03538%0.378CS..EExtended strand (participates in β ladder)trans-117.8146.3-174.5-62-85.5000112.1I163 S164 I165 S166 V185 E186 L187 K188 Y194 M196 W234 F236 V245I163-F168 HydrophobicContact CD1-CE2 3.68Å; I163-F168 HydrophobicContact CD1-CZ 3.49Å; I163-F168 VanDerWaalsContact CD1-CZ 3.49Å; I163-F168 HydrophobicContact CG1-CE2 3.78Å; I163-F168 HydrophobicContact CG1-CZ 4.13Å; S164-F168 WeakPolarHBondContact O-CD2 3.19Å; I165-F168 PolarHBondContact O-N 2.86Å; I165-F168 VanDerWaalsContact O-N 3.09Å; S166-F168 VanDerWaalsContact C-N 3.25Å; S166-F168 PolarHBondContact O-N 2.89Å; F168-V185 HydrophobicContact CB-CB 4.19Å; F168-V185 HydrophobicContact CD1-CB 4.2Å; F168-V185 HydrophobicContact CD1-CG2 3.74Å; F168-V185 HydrophobicContact CE1-CG2 4.27Å; F168-V185 HydrophobicContact CG-CG2 4.39Å; F168-E186 CarbonylContact C-O 3.6Å; F168-E186 VanDerWaalsContact CA-O 3.26Å; F168-E186 WeakPolarHBondContact CA-O 3.11Å; F168-L187 HydrophobicContact CD1-CB 4.43Å; F168-L187 HydrophobicContact CD1-CD1 4.3Å; F168-L187 HydrophobicContact CE1-CB 4.33Å; F168-L187 HydrophobicContact CE1-CD1 3.97Å; F168-L187 HydrophobicContact CZ-CD1 4.33Å; F168-K188 WeakPolarHBondContact O-CE 3.37Å; F168-Y194 HydrophobicContact CE1-CD2 4.36Å; F168-M196 HydrophobicContact CB-CE 4.02Å; F168-M196 HydrophobicContact CD1-CE 3.94Å; F168-M196 HydrophobicContact CD2-CE 3.38Å; F168-M196 HydrophobicContact CE1-CE 4.2Å; F168-M196 HydrophobicContact CE2-CE 3.68Å; F168-M196 HydrophobicContact CG-CE 3.51Å; F168-M196 HydrophobicContact CZ-CE 4.07Å; F168-W234 HydrophobicContact CZ-CE3 4.36Å; F168-F236 HydrophobicContact CD2-CE1 4.5Å; F168-F236 HydrophobicContact CD2-CZ 4.37Å; F168-F236 AromaticContact CE2-CE1 3.8Å; F168-F236 HydrophobicContact CE2-CE1 3.8Å; F168-F236 HydrophobicContact CE2-CZ 4.09Å; F168-V245 HydrophobicContact CE1-CG1 4.03Å; F168-V245 HydrophobicContact CE2-CG2 4.27Å; F168-V245 HydrophobicContact CZ-CG1 4.07Å; F168-V245 HydrophobicContact CZ-CG2 3.88Å
169N95.6Very high83.7Confident59 Ų5973.3 Ų73.332%0.31637%0.37SS..EExtended strand (participates in β ladder)trans-96122.6163-63.1-35000108L171 V185 E186 K188N169-L171 HydrophobicContact CB-CD2 4.15Å; N169-V185 CarbonylContact O-C 3.52Å; N169-V185 WeakPolarHBondContact O-CA 3.17Å; N169-E186 HydrophobicContact CB-CB 4.25Å; N169-E186 PolarHBondContact N-O 3.18Å; N169-E186 PolarHBondContact ND2-OE2 3.21Å; N169-E186 PolarHBondContact O-N 3.09Å; N169-K188 WeakPolarHBondContact OD1-CE 3.34Å; N169-K188 WeakPolarHBondContact OD1-CG 3.39Å
170M95.6Very high85.7Confident54 Ų5463.9 Ų63.927%0.26634%0.335SS..EExtended strand (participates in β ladder)trans-80.6121172.8-66.3-179.6-173.600109.4I165 I183 V185 S466 L468I165-M170 HydrophobicContact CD1-CE 3.24Å; I165-M170 HydrophobicContact CG1-CE 3.57Å; M170-I183 HydrophobicContact CB-CG2 3.99Å; M170-I183 HydrophobicContact CG-CG2 4.19Å; M170-I183 HydrophobicContact SD-CD1 4.06Å; M170-V185 HydrophobicContact CG-CG1 4.23Å; M170-S466 PolarHBondContact O-OG 2.77Å; M170-S466 VanDerWaalsContact SD-O 3.4Å; M170-L468 HydrophobicContact CE-CD1 3.66Å; M170-L468 HydrophobicContact CE-CG 3.86Å; M170-L468 HydrophobicContact SD-CG 4.23Å
171L95Very high87.6Confident64 Ų6459.1 Ų59.134%0.33531%0.314SS..EExtended strand (participates in β ladder)trans-104.7-51.1-172.3-56.4-177.2000112.6N169 L184 E186 Y193 T452N169-L171 HydrophobicContact CB-CD2 4.15Å; L171-L184 HydrophobicContact CB-CD2 4.47Å; L171-L184 HydrophobicContact CB-CG 4.34Å; L171-L184 WeakPolarHBondContact CB-O 3.38Å; L171-L184 HydrophobicContact CD1-CD2 4.41Å; L171-L184 HydrophobicContact CD1-CG 4.29Å; L171-L184 PolarHBondContact N-O 2.94Å; L171-E186 HydrophobicContact CD1-CB 4.03Å; L171-E186 HydrophobicContact CG-CB 4.43Å; L171-Y193 HydrophobicContact CD1-CD1 3.74Å; L171-Y193 HydrophobicContact CD1-CE1 3.64Å; L171-T452 HydrophobicContact CD1-CG2 3.99Å
172K95.8Very high89.2Confident71 Ų7155.2 Ų55.231%0.30930%0.301SS..EExtended strand (participates in β ladder)trans-151.9138.2-169.5-150.862.7150.9162.10111.7L174 I183 L184 V454 T462K172-L174 PolarHBondContact O-N 3.16Å; K172-I183 CarbonylContact O-C 3.5Å; K172-I183 WeakPolarHBondContact O-CA 3.41Å; K172-I183 WeakPolarHBondContact O-CG2 3.38Å; K172-L184 HydrophobicContact CB-CB 4.13Å; K172-L184 HydrophobicContact CB-CD2 4.42Å; K172-L184 PolarHBondContact N-O 3.22Å; K172-L184 PolarHBondContact O-N 3.48Å; K172-V454 HydrophobicContact CB-CG1 4.17Å; K172-V454 HydrophobicContact CG-CB 4.46Å; K172-V454 HydrophobicContact CG-CG1 4.02Å; K172-V454 HydrophobicContact CG-CG2 4Å; K172-T462 WeakPolarHBondContact CD-O 3.49Å; K172-T462 WeakPolarHBondContact CE-O 3.4Å; K172-T462 HydrophobicContact CG-CG2 4.36Å; K172-T462 PolarHBondContact NZ-O 2.93Å
173L95.6Very high90.1Very high0 Ų045.2 Ų45.20%026%0.263CS..EExtended strand (participates in β ladder)trans-75.1123.2169.7-17770.6000108.5G175 K181 I183 F461 T462 E464L173-G175 WeakPolarHBondContact CD1-O 3.41Å; L173-K181 HydrophobicContact CD1-CB 3.71Å; L173-K181 HydrophobicContact CD1-CD 3.89Å; L173-K181 HydrophobicContact CD1-CG 3.94Å; L173-I183 HydrophobicContact CD1-CG1 4.06Å; L173-F461 WeakPolarHBondContact CB-O 3.36Å; L173-F461 HydrophobicContact CD2-CB 4.39Å; L173-F461 HydrophobicContact CG-CB 4.33Å; L173-F461 CarbonylContact O-C 3.41Å; L173-T462 WeakPolarHBondContact O-CA 3.48Å; L173-T462 PolarHBondContact O-N 3.26Å; L173-E464 HydrophobicContact CD2-CB 3.8Å; L173-E464 HydrophobicContact CD2-CG 4.13Å
174L94.8Very high90.5Very high14 Ų1444.5 Ų44.57%0.07326%0.259CS..EExtended strand (participates in β ladder)trans-95.1-30.7179-62179.3000111.9K172 V182 L184 A195 Y248 V454 F457K172-L174 PolarHBondContact O-N 3.16Å; L174-V182 HydrophobicContact CB-CG1 4.31Å; L174-V182 HydrophobicContact CD1-CG1 4.42Å; L174-V182 PolarHBondContact N-O 2.75Å; L174-L184 HydrophobicContact CD1-CB 3.96Å; L174-L184 HydrophobicContact CD2-CB 3.97Å; L174-L184 HydrophobicContact CG-CB 3.94Å; L174-A195 HydrophobicContact CD1-CB 4.26Å; L174-Y248 HydrophobicContact CD1-CD2 3.83Å; L174-Y248 HydrophobicContact CD1-CE2 3.76Å; L174-Y248 HydrophobicContact CD2-CE2 4.17Å; L174-V454 HydrophobicContact CD2-CB 4.46Å; L174-V454 HydrophobicContact CD2-CG1 3.66Å; L174-F457 HydrophobicContact CB-CD1 4.03Å; L174-F457 HydrophobicContact CB-CE1 4.02Å; L174-F457 HydrophobicContact CD1-CE1 4.29Å; L174-F457 HydrophobicContact CD1-CZ 4.37Å; L174-F457 HydrophobicContact CD2-CD1 3.97Å; L174-F457 HydrophobicContact CD2-CD2 4.12Å; L174-F457 HydrophobicContact CD2-CE1 3.96Å; L174-F457 HydrophobicContact CD2-CE2 4.11Å; L174-F457 HydrophobicContact CD2-CG 4.05Å; L174-F457 HydrophobicContact CD2-CZ 4.03Å; L174-F457 HydrophobicContact CG-CE1 4.31Å
175G90.7Very high90.7Very high15 Ų1542.6 Ų42.616%0.15525%0.246CC..EExtended strand (participates in β ladder)trans-171.2164.3179.900000112.5L173 V182L173-G175 WeakPolarHBondContact CD1-O 3.41Å; G175-V182 PolarHBondContact N-O 2.79Å; G175-V182 PolarHBondContact O-N 3.08Å
176K86.6Confident90.9Very high120 Ų12041.7 Ų41.752%0.52224%0.241SC..EExtended strand (participates in β ladder)trans-141.4128.3178.7-174.5179.1179.4-179.40109.7K181 F461K176-K181 HydrophobicContact CG-CG 4.33Å; K176-F461 HydrophobicContact CB-CD1 4.4Å; K176-F461 HydrophobicContact CB-CE1 4.24Å
177G73.6Confident90.9Very high50 Ų5038.5 Ų38.552%0.51522%0.218SC..  trans-117.1-174.5175.500000111.9F179 G180G177-F179 VanDerWaalsContact C-N 3.26Å; G177-F179 PolarHBondContact O-N 3.4Å; G177-G180 PolarHBondContact N-O 3.18Å
178S67.8Low90.9Very high99 Ų9941 Ų4169%0.69223%0.227SC*.SBendtrans-55.7-39.7176.346.70000112.7
179F70.5Confident90.7Very high82 Ų8244.4 Ų44.436%0.3626%0.264SS..SBendtrans-96.3-14.5-171.8-54.9-68.4000114.5G177 L199 V203 D209G177-F179 VanDerWaalsContact C-N 3.26Å; G177-F179 PolarHBondContact O-N 3.4Å; F179-L199 HydrophobicContact CB-CD2 3.87Å; F179-V203 HydrophobicContact CD1-CG1 4.12Å; F179-D209 WeakPolarHBondContact CE1-OD2 3.35Å; F179-D209 VanDerWaalsContact CZ-OD2 3.3Å; F179-D209 WeakPolarHBondContact CZ-OD2 3.19Å
180G85.1Confident90.4Very high19 Ų1945.6 Ų45.620%0.19627%0.266CS..EExtended strand (participates in β ladder)trans172.9-167.3-17200000117G177 C198G177-G180 PolarHBondContact N-O 3.18Å; G180-C198 VanDerWaalsContact CA-O 3.25Å; G180-C198 WeakPolarHBondContact CA-O 3.3Å
181K93.6Very high90.1Very high24 Ų2448.3 Ų48.310%0.10428%0.282CS..EExtended strand (participates in β ladder)trans-118.5143.2-175.6-68.4-173178.2-162.20109.9L173 K176 I183 C198 E464 T467L173-K181 HydrophobicContact CD1-CB 3.71Å; L173-K181 HydrophobicContact CD1-CD 3.89Å; L173-K181 HydrophobicContact CD1-CG 3.94Å; K176-K181 HydrophobicContact CG-CG 4.33Å; K181-I183 HydrophobicContact CB-CD1 4.42Å; K181-I183 HydrophobicContact CB-CG1 4.24Å; K181-C198 PolarHBondContact N-O 3.39Å; K181-C198 VanDerWaalsContact N-O 3.08Å; K181-C198 PolarHBondContact O-N 2.69Å; K181-E464 IonicContact NZ-OE1 3.68Å; K181-E464 PolarHBondContact NZ-OE1 3.24Å; K181-T467 PolarHBondContact NZ-O 3.1Å
182V96Very high90.1Very high42 Ų4251 Ų5126%0.25529%0.288SS..EExtended strand (participates in β ladder)trans-108.2121168.7-175.80000108.1L174 G175 A195 M196 K197L174-V182 HydrophobicContact CB-CG1 4.31Å; L174-V182 HydrophobicContact CD1-CG1 4.42Å; L174-V182 PolarHBondContact N-O 2.75Å; G175-V182 PolarHBondContact N-O 2.79Å; G175-V182 PolarHBondContact O-N 3.08Å; V182-A195 HydrophobicContact CG1-CB 4.21Å; V182-M196 CarbonylContact C-O 3.58Å; V182-M196 WeakPolarHBondContact CA-O 3.46Å; V182-K197 HydrophobicContact CG2-CB 4.22Å; V182-K197 HydrophobicContact CG2-CG 4.18Å
183I97.2Very high90.1Very high0 Ų050.1 Ų50.10%028%0.283CS..EExtended strand (participates in β ladder)trans-122.2131.6-171.4-56.4177.3000109.3M170 K172 L173 K181 V185 M196 L468M170-I183 HydrophobicContact CB-CG2 3.99Å; M170-I183 HydrophobicContact CG-CG2 4.19Å; M170-I183 HydrophobicContact SD-CD1 4.06Å; K172-I183 CarbonylContact O-C 3.5Å; K172-I183 WeakPolarHBondContact O-CA 3.41Å; K172-I183 WeakPolarHBondContact O-CG2 3.38Å; L173-I183 HydrophobicContact CD1-CG1 4.06Å; K181-I183 HydrophobicContact CB-CD1 4.42Å; K181-I183 HydrophobicContact CB-CG1 4.24Å; I183-V185 HydrophobicContact CB-CG1 4.42Å; I183-V185 HydrophobicContact CG2-CG1 4.08Å; I183-V185 PolarHBondContact O-N 3.1Å; I183-M196 PolarHBondContact N-O 2.85Å; I183-M196 PolarHBondContact O-N 3.27Å; I183-L468 HydrophobicContact CD1-CD2 3.84Å
184L97.6Very high90.1Very high1 Ų150.6 Ų50.61%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-67.3122165.1177.661.6000108.8L171 K172 L174 Y248 V454L171-L184 HydrophobicContact CB-CD2 4.47Å; L171-L184 HydrophobicContact CB-CG 4.34Å; L171-L184 WeakPolarHBondContact CB-O 3.38Å; L171-L184 HydrophobicContact CD1-CD2 4.41Å; L171-L184 HydrophobicContact CD1-CG 4.29Å; L171-L184 PolarHBondContact N-O 2.94Å; K172-L184 HydrophobicContact CB-CB 4.13Å; K172-L184 HydrophobicContact CB-CD2 4.42Å; K172-L184 PolarHBondContact N-O 3.22Å; K172-L184 PolarHBondContact O-N 3.48Å; L174-L184 HydrophobicContact CD1-CB 3.96Å; L174-L184 HydrophobicContact CD2-CB 3.97Å; L174-L184 HydrophobicContact CG-CB 3.94Å; L184-Y248 HydrophobicContact CD1-CD1 3.74Å; L184-Y248 HydrophobicContact CD1-CD2 3.88Å; L184-Y248 HydrophobicContact CD1-CE1 3.82Å; L184-Y248 HydrophobicContact CD1-CE2 3.98Å; L184-Y248 HydrophobicContact CD1-CG 3.76Å; L184-V454 HydrophobicContact CD2-CG1 3.87Å
185V97.2Very high90.3Very high0 Ų050.4 Ų50.40%029%0.285CS..EExtended strand (participates in β ladder)trans-124147.9179.9-59.90000111.5F168 N169 M170 I183 Y193 Y194 M196F168-V185 HydrophobicContact CB-CB 4.19Å; F168-V185 HydrophobicContact CD1-CB 4.2Å; F168-V185 HydrophobicContact CD1-CG2 3.74Å; F168-V185 HydrophobicContact CE1-CG2 4.27Å; F168-V185 HydrophobicContact CG-CG2 4.39Å; N169-V185 CarbonylContact O-C 3.52Å; N169-V185 WeakPolarHBondContact O-CA 3.17Å; M170-V185 HydrophobicContact CG-CG1 4.23Å; I183-V185 HydrophobicContact CB-CG1 4.42Å; I183-V185 HydrophobicContact CG2-CG1 4.08Å; I183-V185 PolarHBondContact O-N 3.1Å; V185-Y193 CarbonylContact O-C 3.42Å; V185-Y193 VanDerWaalsContact O-CA 3.24Å; V185-Y193 WeakPolarHBondContact O-CA 3.39Å; V185-Y194 WeakPolarHBondContact CG2-O 3.45Å; V185-Y194 PolarHBondContact N-O 2.87Å; V185-Y194 PolarHBondContact O-N 2.9Å; V185-M196 HydrophobicContact CB-CE 4.48Å; V185-M196 HydrophobicContact CG1-CB 3.74Å; V185-M196 HydrophobicContact CG1-CE 4.1Å; V185-M196 HydrophobicContact CG1-SD 4.19Å; V185-M196 HydrophobicContact CG2-CB 3.97Å; V185-M196 HydrophobicContact CG2-CE 4.02Å
186E96.3Very high90.6Very high39 Ų3949.7 Ų49.718%0.18228%0.278CS..EExtended strand (participates in β ladder)trans-102.7134.2167.1-179-160.3-167.500109.5F168 N169 L171 K188 R192 Y193F168-E186 CarbonylContact C-O 3.6Å; F168-E186 VanDerWaalsContact CA-O 3.26Å; F168-E186 WeakPolarHBondContact CA-O 3.11Å; N169-E186 HydrophobicContact CB-CB 4.25Å; N169-E186 PolarHBondContact N-O 3.18Å; N169-E186 PolarHBondContact ND2-OE2 3.21Å; N169-E186 PolarHBondContact O-N 3.09Å; L171-E186 HydrophobicContact CD1-CB 4.03Å; L171-E186 HydrophobicContact CG-CB 4.43Å; E186-K188 PolarHBondContact O-N 3.31Å; E186-R192 CarbonylContact C-O 3.54Å; E186-R192 WeakPolarHBondContact CA-O 3.27Å; E186-Y193 HydrophobicContact CB-CD1 3.83Å; E186-Y193 HydrophobicContact CB-CE1 3.74Å; E186-Y193 HydrophobicContact CG-CD1 4.19Å; E186-Y193 HydrophobicContact CG-CE1 3.81Å
187L94.9Very high91.1Very high3 Ų345.1 Ų45.12%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-74.4116.5166.4179.764.7000109.7N167 F168 G189 K190 R192 Y194 W234 P497N167-L187 HydrophobicContact CB-CD1 4.42Å; F168-L187 HydrophobicContact CD1-CB 4.43Å; F168-L187 HydrophobicContact CD1-CD1 4.3Å; F168-L187 HydrophobicContact CE1-CB 4.33Å; F168-L187 HydrophobicContact CE1-CD1 3.97Å; F168-L187 HydrophobicContact CZ-CD1 4.33Å; L187-G189 PolarHBondContact O-N 2.71Å; L187-K190 HydrophobicContact CB-CB 4.5Å; L187-K190 HydrophobicContact CD2-CB 4.11Å; L187-K190 HydrophobicContact CD2-CG 3.91Å; L187-K190 HydrophobicContact CG-CB 4.25Å; L187-K190 HydrophobicContact CG-CG 4.17Å; L187-K190 PolarHBondContact O-N 2.99Å; L187-K190 VanDerWaalsContact O-N 3.14Å; L187-R192 PolarHBondContact N-O 3Å; L187-Y194 HydrophobicContact CB-CD2 4.39Å; L187-Y194 HydrophobicContact CB-CE2 3.84Å; L187-Y194 HydrophobicContact CD2-CE2 4.41Å; L187-W234 HydrophobicContact CD2-CH2 4.21Å; L187-P497 HydrophobicContact CD1-CG 4.41Å
188K94.4Very high92.2Very high97 Ų9742.8 Ų42.842%0.42223%0.233SC..THydrogen-bonded Turntrans-52128-174.2-73.4177.3177.5175.30111.9S166 N167 F168 N169 E186 K190S166-K188 WeakPolarHBondContact O-CD 3.2Å; S166-K188 VanDerWaalsContact O-CE 3.31Å; S166-K188 WeakPolarHBondContact O-CE 3.25Å; S166-K188 PolarHBondContact O-NZ 3.32Å; N167-K188 WeakPolarHBondContact O-CB 3.38Å; N167-K188 WeakPolarHBondContact O-CG 3.25Å; N167-K188 PolarHBondContact O-N 2.97Å; F168-K188 WeakPolarHBondContact O-CE 3.37Å; N169-K188 WeakPolarHBondContact OD1-CE 3.34Å; N169-K188 WeakPolarHBondContact OD1-CG 3.39Å; E186-K188 PolarHBondContact O-N 3.31Å; K188-K190 VanDerWaalsContact C-N 3.27Å; K188-K190 PolarHBondContact O-N 3.05Å
189G90.5Very high93.4Very high80 Ų8038.3 Ų38.383%0.82520%0.202SC*.THydrogen-bonded Turntrans74.95.9174.800000115.7L187L187-G189 PolarHBondContact O-N 2.71Å
190K88.5Confident94.5Very high83 Ų8336.8 Ų36.836%0.36120%0.195SC..THydrogen-bonded Turntrans-116.1-8-179.7-64-64.7-174.5-178.90114.3L187 K188 R192L187-K190 HydrophobicContact CB-CB 4.5Å; L187-K190 HydrophobicContact CD2-CB 4.11Å; L187-K190 HydrophobicContact CD2-CG 3.91Å; L187-K190 HydrophobicContact CG-CB 4.25Å; L187-K190 HydrophobicContact CG-CG 4.17Å; L187-K190 PolarHBondContact O-N 2.99Å; L187-K190 VanDerWaalsContact O-N 3.14Å; K188-K190 VanDerWaalsContact C-N 3.27Å; K188-K190 PolarHBondContact O-N 3.05Å; K190-R192 HydrophobicContact CB-CB 4.43Å; K190-R192 HydrophobicContact CB-CG 4.34Å; K190-R192 PolarHBondContact O-N 2.81Å
191N90.5Very high94.9Very high112 Ų11235.9 Ų35.960%0.59919%0.186SC*.THydrogen-bonded Turntrans49.641.4-174.4-164.937.5000112.1Y193N191-Y193 PolarHBondContact OD1-OH 3.29Å
192R93.9Very high94.8Very high119 Ų11935.7 Ų35.745%0.44919%0.186SC..EExtended strand (participates in β ladder)trans-121.6135.5179.8-73.6-175.3-179.1179.40.1109.2E186 L187 K190 Y194E186-R192 CarbonylContact C-O 3.54Å; E186-R192 WeakPolarHBondContact CA-O 3.27Å; L187-R192 PolarHBondContact N-O 3Å; K190-R192 HydrophobicContact CB-CB 4.43Å; K190-R192 HydrophobicContact CB-CG 4.34Å; K190-R192 PolarHBondContact O-N 2.81Å; R192-Y194 HydrophobicContact CB-CE2 3.83Å
193Y96.2Very high94.5Very high53 Ų5335.8 Ų35.821%0.20819%0.187CC..EExtended strand (participates in β ladder)trans-117144.5-172-55.7-84.6000111.3L171 V185 E186 N191 A451 T452L171-Y193 HydrophobicContact CD1-CD1 3.74Å; L171-Y193 HydrophobicContact CD1-CE1 3.64Å; V185-Y193 CarbonylContact O-C 3.42Å; V185-Y193 VanDerWaalsContact O-CA 3.24Å; V185-Y193 WeakPolarHBondContact O-CA 3.39Å; E186-Y193 HydrophobicContact CB-CD1 3.83Å; E186-Y193 HydrophobicContact CB-CE1 3.74Å; E186-Y193 HydrophobicContact CG-CD1 4.19Å; E186-Y193 HydrophobicContact CG-CE1 3.81Å; N191-Y193 PolarHBondContact OD1-OH 3.29Å; Y193-A451 HydrophobicContact CD2-CB 3.56Å; Y193-A451 HydrophobicContact CE2-CB 3.5Å; Y193-A451 VanDerWaalsContact CE2-CB 3.5Å; Y193-T452 HydrophobicContact CD1-CG2 3.75Å; Y193-T452 HydrophobicContact CE1-CG2 3.18Å; Y193-T452 HydrophobicContact CE2-CG2 4.17Å; Y193-T452 HydrophobicContact CG-CG2 4.42Å
194Y97.2Very high94.1Very high11 Ų1135.9 Ų35.94%0.04319%0.187CC..EExtended strand (participates in β ladder)trans-143158.9-175.5-57-85.5000110.5F168 V185 L187 R192 F233 W234 V245 M246F168-Y194 HydrophobicContact CE1-CD2 4.36Å; V185-Y194 WeakPolarHBondContact CG2-O 3.45Å; V185-Y194 PolarHBondContact N-O 2.87Å; V185-Y194 PolarHBondContact O-N 2.9Å; L187-Y194 HydrophobicContact CB-CD2 4.39Å; L187-Y194 HydrophobicContact CB-CE2 3.84Å; L187-Y194 HydrophobicContact CD2-CE2 4.41Å; R192-Y194 HydrophobicContact CB-CE2 3.83Å; Y194-F233 AromaticContact CD1-CD2 3.56Å; Y194-F233 HydrophobicContact CD1-CD2 3.56Å; Y194-F233 AromaticContact CD1-CE2 3.66Å; Y194-F233 HydrophobicContact CD1-CE2 3.66Å; Y194-F233 HydrophobicContact CD1-CG 4.16Å; Y194-F233 HydrophobicContact CD1-CZ 4.31Å; Y194-F233 HydrophobicContact CE1-CD1 4.07Å; Y194-F233 AromaticContact CE1-CD2 3.64Å; Y194-F233 HydrophobicContact CE1-CD2 3.64Å; Y194-F233 HydrophobicContact CE1-CE1 4.1Å; Y194-F233 AromaticContact CE1-CE2 3.67Å; Y194-F233 HydrophobicContact CE1-CE2 3.67Å; Y194-F233 AromaticContact CE1-CG 3.83Å; Y194-F233 HydrophobicContact CE1-CG 3.83Å; Y194-F233 AromaticContact CE1-CZ 3.88Å; Y194-F233 HydrophobicContact CE1-CZ 3.88Å; Y194-W234 HydrophobicContact CD1-CZ3 4.25Å; Y194-W234 HydrophobicContact CD2-CZ3 4.42Å; Y194-W234 HydrophobicContact CE1-CH2 4.38Å; Y194-W234 AromaticContact CE1-CZ3 3.8Å; Y194-W234 HydrophobicContact CE1-CZ3 3.8Å; Y194-W234 HydrophobicContact CE2-CH2 4.33Å; Y194-W234 AromaticContact CE2-CZ3 3.99Å; Y194-W234 HydrophobicContact CE2-CZ3 3.99Å; Y194-W234 AromaticContact CZ-CH2 3.9Å; Y194-W234 AromaticContact CZ-CZ3 3.65Å; Y194-V245 HydrophobicContact CD1-CG1 4.12Å; Y194-V245 HydrophobicContact CD2-CG1 4.35Å; Y194-V245 HydrophobicContact CG-CG1 3.76Å; Y194-M246 WeakPolarHBondContact CB-O 3.42Å
195A97.4Very high93.7Very high9 Ų937.8 Ų37.87%0.07420%0.197CC..EExtended strand (participates in β ladder)trans-94.9119.6167.400000108.8L174 V182 M246L174-A195 HydrophobicContact CD1-CB 4.26Å; V182-A195 HydrophobicContact CG1-CB 4.21Å; A195-M246 PolarHBondContact N-O 2.61Å; A195-M246 PolarHBondContact O-N 2.91Å
196M97.5Very high93.1Very high0 Ų040.6 Ų40.60%021%0.212CC..EExtended strand (participates in β ladder)trans-104.8110.4178.6-171-179-74.300110.1F168 V182 I183 V185 F236 F243 F244 V245F168-M196 HydrophobicContact CB-CE 4.02Å; F168-M196 HydrophobicContact CD1-CE 3.94Å; F168-M196 HydrophobicContact CD2-CE 3.38Å; F168-M196 HydrophobicContact CE1-CE 4.2Å; F168-M196 HydrophobicContact CE2-CE 3.68Å; F168-M196 HydrophobicContact CG-CE 3.51Å; F168-M196 HydrophobicContact CZ-CE 4.07Å; V182-M196 CarbonylContact C-O 3.58Å; V182-M196 WeakPolarHBondContact CA-O 3.46Å; I183-M196 PolarHBondContact N-O 2.85Å; I183-M196 PolarHBondContact O-N 3.27Å; V185-M196 HydrophobicContact CB-CE 4.48Å; V185-M196 HydrophobicContact CG1-CB 3.74Å; V185-M196 HydrophobicContact CG1-CE 4.1Å; V185-M196 HydrophobicContact CG1-SD 4.19Å; V185-M196 HydrophobicContact CG2-CB 3.97Å; V185-M196 HydrophobicContact CG2-CE 4.02Å; M196-F236 HydrophobicContact CE-CE1 4.1Å; M196-F236 HydrophobicContact CE-CZ 3.91Å; M196-F236 HydrophobicContact SD-CZ 4.3Å; M196-F243 HydrophobicContact CG-CD1 4.19Å; M196-F243 HydrophobicContact SD-CD1 3.77Å; M196-F243 HydrophobicContact SD-CE1 4.38Å; M196-F244 CarbonylContact C-O 3.47Å; M196-F244 VanDerWaalsContact CA-O 3.28Å; M196-F244 WeakPolarHBondContact CA-O 3.45Å; M196-V245 HydrophobicContact CE-CG2 3.73Å; M196-V245 HydrophobicContact CG-CG2 4.31Å
197K96.6Very high92.4Very high24 Ų2440.5 Ų40.510%0.10422%0.222CC..EExtended strand (participates in β ladder)trans-83.8117169.7-175.8173.2179.2-176.60108.2V182 L199 E216 F243 F244 M246 D310V182-K197 HydrophobicContact CG2-CB 4.22Å; V182-K197 HydrophobicContact CG2-CG 4.18Å; K197-L199 HydrophobicContact CD-CD2 4.44Å; K197-L199 HydrophobicContact CG-CD2 3.93Å; K197-L199 HydrophobicContact CG-CG 4.26Å; K197-E216 IonicContact NZ-OE1 2.86Å; K197-E216 PolarHBondContact NZ-OE1 2.89Å; K197-E216 IonicContact NZ-OE2 2.76Å; K197-E216 PolarHBondContact NZ-OE2 3.38Å; K197-F243 WeakPolarHBondContact O-CA 3.43Å; K197-F244 HydrophobicContact CB-CB 4.26Å; K197-F244 HydrophobicContact CB-CD2 4.39Å; K197-F244 HydrophobicContact CG-CD2 4.49Å; K197-F244 PolarHBondContact N-O 2.8Å; K197-F244 PolarHBondContact O-N 2.85Å; K197-M246 HydrophobicContact CB-CE 3.58Å; K197-D310 IonicContact NZ-OD1 3.51Å; K197-D310 PolarHBondContact NZ-OD1 3.36Å
198C96.8Very high91.8Very high1 Ų147.3 Ų47.31%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-109.7110.8-177.1-53.80000108.4G180 K181 Y241 F243 L468G180-C198 VanDerWaalsContact CA-O 3.25Å; G180-C198 WeakPolarHBondContact CA-O 3.3Å; K181-C198 PolarHBondContact N-O 3.39Å; K181-C198 VanDerWaalsContact N-O 3.08Å; K181-C198 PolarHBondContact O-N 2.69Å; C198-Y241 HydrophobicContact CB-CD1 4.41Å; C198-F243 HydrophobicContact CB-CD1 4.07Å; C198-F243 HydrophobicContact CB-CE1 4.02Å; C198-L468 HydrophobicContact CB-CD2 3.72Å
199L94.3Very high91.4Very high6 Ų644.5 Ų44.53%0.03124%0.243CC..EExtended strand (participates in β ladder)trans-112136179.5-53-177.4000110.1F179 K197 I204 Y241 V242 F244F179-L199 HydrophobicContact CB-CD2 3.87Å; K197-L199 HydrophobicContact CD-CD2 4.44Å; K197-L199 HydrophobicContact CG-CD2 3.93Å; K197-L199 HydrophobicContact CG-CG 4.26Å; L199-I204 HydrophobicContact CB-CD1 3.74Å; L199-I204 HydrophobicContact CB-CG1 4.41Å; L199-I204 HydrophobicContact CD1-CD1 4.26Å; L199-Y241 CarbonylContact O-C 3.5Å; L199-Y241 VanDerWaalsContact O-CA 3.27Å; L199-Y241 WeakPolarHBondContact O-CA 3.47Å; L199-Y241 WeakPolarHBondContact O-CD1 3.45Å; L199-V242 HydrophobicContact CB-CG2 3.78Å; L199-V242 HydrophobicContact CD1-CG2 4.42Å; L199-V242 HydrophobicContact CG-CG2 4.46Å; L199-V242 PolarHBondContact N-O 3.03Å; L199-V242 PolarHBondContact O-N 2.96Å; L199-F244 HydrophobicContact CD1-CE2 3.82Å; L199-F244 HydrophobicContact CG-CE2 4.42Å
200K93.1Very high91.3Very high49 Ų4942 Ų4221%0.21321%0.21CC..EExtended strand (participates in β ladder)trans-80.1134.1178.5-72.1-173.7170.5-166.40110.9D202 V203 I204 Y241K200-D202 VanDerWaalsContact CB-OD1 3.29Å; K200-D202 WeakPolarHBondContact CB-OD1 3.49Å; K200-V203 HydrophobicContact CB-CB 4.07Å; K200-V203 HydrophobicContact CB-CG2 3.76Å; K200-V203 HydrophobicContact CD-CG2 4.02Å; K200-V203 HydrophobicContact CG-CG2 4.49Å; K200-V203 PolarHBondContact O-N 3.19Å; K200-I204 WeakPolarHBondContact O-CG1 3.4Å; K200-I204 PolarHBondContact O-N 3.21Å; K200-I204 VanDerWaalsContact O-N 3.09Å; K200-Y241 HydrophobicContact CB-CE1 4.32Å; K200-Y241 HydrophobicContact CD-CE1 4.38Å; K200-Y241 WeakPolarHBondContact CE-OH 3.37Å; K200-Y241 HydrophobicContact CG-CD1 3.93Å; K200-Y241 HydrophobicContact CG-CE1 3.29Å
201K93.6Very high91.2Very high0 Ų043.7 Ų43.70%022%0.22CC..Hα-helixtrans-67.2-40-178.1-77.4179165.6178.60113.1V203 I204 L205 S238 P239 E240 V242 I479 F484K201-V203 VanDerWaalsContact C-N 3.34Å; K201-V203 PolarHBondContact O-N 2.94Å; K201-I204 PolarHBondContact O-N 2.88Å; K201-L205 WeakPolarHBondContact O-CB 3.36Å; K201-L205 WeakPolarHBondContact O-CG 3.48Å; K201-L205 PolarHBondContact O-N 3.33Å; K201-S238 WeakPolarHBondContact CE-O 3.37Å; K201-S238 PolarHBondContact NZ-O 3.3Å; K201-P239 WeakPolarHBondContact CD-O 3.47Å; K201-E240 PolarHBondContact N-O 3.08Å; K201-V242 HydrophobicContact CG-CG1 4.09Å; K201-I479 HydrophobicContact CB-CD1 3.93Å; K201-I479 HydrophobicContact CB-CG2 4Å; K201-I479 HydrophobicContact CD-CG2 4.19Å; K201-F484 HydrophobicContact CB-CE2 3.79Å; K201-F484 HydrophobicContact CB-CZ 3.79Å; K201-F484 HydrophobicContact CD-CD2 3.83Å; K201-F484 HydrophobicContact CD-CE2 3.91Å; K201-F484 HydrophobicContact CD-CG 4.22Å; K201-F484 HydrophobicContact CD-CZ 4.38Å; K201-F484 HydrophobicContact CG-CD1 4.31Å; K201-F484 HydrophobicContact CG-CD2 4.02Å; K201-F484 HydrophobicContact CG-CE1 3.99Å; K201-F484 HydrophobicContact CG-CE2 3.68Å; K201-F484 HydrophobicContact CG-CG 4.32Å; K201-F484 HydrophobicContact CG-CZ 3.66Å
202D90.7Very high91.1Very high20 Ų2040.2 Ų40.211%0.10720%0.204CC..Hα-helixtrans-61.5-43.4175.865.9-48.7000111.2K200 I204 L205 N206 L471 I479K200-D202 VanDerWaalsContact CB-OD1 3.29Å; K200-D202 WeakPolarHBondContact CB-OD1 3.49Å; D202-I204 PolarHBondContact O-N 3.3Å; D202-L205 PolarHBondContact O-N 3.25Å; D202-N206 WeakPolarHBondContact O-CB 3.43Å; D202-N206 PolarHBondContact O-N 2.89Å; D202-N206 PolarHBondContact O-ND2 3.01Å; D202-L471 HydrophobicContact CB-CD1 4.43Å; D202-L471 HydrophobicContact CB-CD2 4.39Å; D202-I479 HydrophobicContact CB-CD1 4.21Å; D202-I479 HydrophobicContact CB-CG1 4.35Å
203V89.8Confident91.1Very high45 Ų4534.9 Ų34.927%0.27318%0.184SC..Hα-helixtrans-63.1-42.4177.5-178.70000111.3F179 K200 K201 G207F179-V203 HydrophobicContact CD1-CG1 4.12Å; K200-V203 HydrophobicContact CB-CB 4.07Å; K200-V203 HydrophobicContact CB-CG2 3.76Å; K200-V203 HydrophobicContact CD-CG2 4.02Å; K200-V203 HydrophobicContact CG-CG2 4.49Å; K200-V203 PolarHBondContact O-N 3.19Å; K201-V203 VanDerWaalsContact C-N 3.34Å; K201-V203 PolarHBondContact O-N 2.94Å; V203-G207 PolarHBondContact O-N 2.57Å
204I89.7Confident90.8Very high1 Ų133.8 Ų33.81%0.00518%0.181CC..Hα-helixtrans-62.6-46.4176.2-67.7163.7000111.2L199 K200 K201 D202 G207 E208 D209 I210 T213 V242 F484L199-I204 HydrophobicContact CB-CD1 3.74Å; L199-I204 HydrophobicContact CB-CG1 4.41Å; L199-I204 HydrophobicContact CD1-CD1 4.26Å; K200-I204 WeakPolarHBondContact O-CG1 3.4Å; K200-I204 PolarHBondContact O-N 3.21Å; K200-I204 VanDerWaalsContact O-N 3.09Å; K201-I204 PolarHBondContact O-N 2.88Å; D202-I204 PolarHBondContact O-N 3.3Å; I204-G207 PolarHBondContact O-N 3.09Å; I204-E208 PolarHBondContact O-N 3.3Å; I204-D209 HydrophobicContact CG2-CB 4.29Å; I204-D209 PolarHBondContact O-N 2.98Å; I204-I210 HydrophobicContact CG2-CB 4.46Å; I204-I210 HydrophobicContact CG2-CG1 3.91Å; I204-T213 HydrophobicContact CD1-CG2 4.24Å; I204-V242 HydrophobicContact CD1-CG2 3.59Å; I204-F484 HydrophobicContact CB-CE1 4.38Å; I204-F484 HydrophobicContact CB-CZ 4.25Å; I204-F484 HydrophobicContact CD1-CE1 4.08Å; I204-F484 HydrophobicContact CG2-CE1 4.02Å; I204-F484 HydrophobicContact CG2-CZ 4.11Å
205L87.6Confident90.5Very high41 Ų4133.6 Ų33.622%0.21518%0.18CC..Hα-helixtrans-63.7-47.9-179.3-74.3170.3000111.5K201 D202 G207 E208 I210 I479 Q483 F484K201-L205 WeakPolarHBondContact O-CB 3.36Å; K201-L205 WeakPolarHBondContact O-CG 3.48Å; K201-L205 PolarHBondContact O-N 3.33Å; D202-L205 PolarHBondContact O-N 3.25Å; L205-G207 PolarHBondContact O-N 2.93Å; L205-E208 PolarHBondContact O-N 2.88Å; L205-E208 VanDerWaalsContact O-N 3.12Å; L205-I210 HydrophobicContact CD2-CD1 3.44Å; L205-I210 VanDerWaalsContact CD2-CD1 3.44Å; L205-I210 HydrophobicContact CD2-CG1 4.04Å; L205-I479 HydrophobicContact CD1-CB 4.25Å; L205-I479 HydrophobicContact CD1-CG1 4.28Å; L205-I479 HydrophobicContact CD1-CG2 3.79Å; L205-Q483 HydrophobicContact CD2-CB 4.27Å; L205-Q483 HydrophobicContact CD2-CG 4.04Å; L205-F484 HydrophobicContact CD1-CE2 4.06Å; L205-F484 HydrophobicContact CD2-CE2 4.17Å; L205-F484 HydrophobicContact CD2-CZ 4.36Å; L205-F484 HydrophobicContact CG-CE2 3.97Å; L205-F484 HydrophobicContact CG-CZ 4.05Å
206N85.3Confident90.4Very high59 Ų5933.4 Ų33.432%0.31618%0.178SC..Hα-helixtrans-65.2-27179.8-64.5-36.4000112.6N64 D202N64-N206 PolarHBondContact ND2-ND2 2.89Å; N64-N206 PolarHBondContact ND2-OD1 3.15Å; D202-N206 WeakPolarHBondContact O-CB 3.43Å; D202-N206 PolarHBondContact O-N 2.89Å; D202-N206 PolarHBondContact O-ND2 3.01Å
207G82Confident90.2Very high38 Ų3835.6 Ų35.639%0.39219%0.186SC..THydrogen-bonded Turntrans-87.2-3.8176.100000114.7V203 I204 L205 D209V203-G207 PolarHBondContact O-N 2.57Å; I204-G207 PolarHBondContact O-N 3.09Å; L205-G207 PolarHBondContact O-N 2.93Å; G207-D209 PolarHBondContact O-N 3.05Å
208E81.9Confident90Very high146 Ų14639.4 Ų39.468%0.68220%0.2SC*.THydrogen-bonded Turntrans57.626.6-170.5-56.5-176.8171.800113.6I204 L205 I210I204-E208 PolarHBondContact O-N 3.3Å; L205-E208 PolarHBondContact O-N 2.88Å; L205-E208 VanDerWaalsContact O-N 3.12Å; E208-I210 PolarHBondContact O-N 3Å
209D86.4Confident89.9Confident37 Ų3739.4 Ų39.420%0.19820%0.2CC..  trans-93.517.4-171.8-74.9-56.1000114.1F179 I204 G207 E211 C212 T213F179-D209 WeakPolarHBondContact CE1-OD2 3.35Å; F179-D209 VanDerWaalsContact CZ-OD2 3.3Å; F179-D209 WeakPolarHBondContact CZ-OD2 3.19Å; I204-D209 HydrophobicContact CG2-CB 4.29Å; I204-D209 PolarHBondContact O-N 2.98Å; G207-D209 PolarHBondContact O-N 3.05Å; D209-E211 PolarHBondContact O-N 3.15Å; D209-C212 HydrophobicContact CB-CB 4.4Å; D209-C212 PolarHBondContact O-N 3.47Å; D209-T213 WeakPolarHBondContact O-CB 3.42Å; D209-T213 PolarHBondContact O-N 3.26Å; D209-T213 PolarHBondContact O-OG1 3.18Å
210I88.9Confident89.9Confident27 Ų2739.2 Ų39.214%0.13820%0.199CC..Hα-helixtrans-58.8-51.2179.5-62.8164.9000109.9I204 L205 E208 C212 T213 F214 Q483I204-I210 HydrophobicContact CG2-CB 4.46Å; I204-I210 HydrophobicContact CG2-CG1 3.91Å; L205-I210 HydrophobicContact CD2-CD1 3.44Å; L205-I210 VanDerWaalsContact CD2-CD1 3.44Å; L205-I210 HydrophobicContact CD2-CG1 4.04Å; E208-I210 PolarHBondContact O-N 3Å; I210-C212 PolarHBondContact O-N 2.9Å; I210-T213 WeakPolarHBondContact O-CB 3.33Å; I210-T213 PolarHBondContact O-N 3.41Å; I210-T213 VanDerWaalsContact O-N 3.13Å; I210-F214 HydrophobicContact CG2-CD2 3.9Å; I210-F214 HydrophobicContact CG2-CE2 3.94Å; I210-F214 WeakPolarHBondContact O-CD2 3.45Å; I210-F214 PolarHBondContact O-N 3.3Å; I210-Q483 HydrophobicContact CD1-CB 3.85Å; I210-Q483 HydrophobicContact CD1-CG 3.98Å
211E85.7Confident89.9Confident120 Ų12038.9 Ų38.956%0.56120%0.201SC*.Hα-helixtrans-60.9-44.5-179.9-73.4-60.7141.800111.6D209 T213 F214 I215D209-E211 PolarHBondContact O-N 3.15Å; E211-T213 VanDerWaalsContact C-N 3.28Å; E211-T213 PolarHBondContact O-N 3.38Å; E211-F214 PolarHBondContact O-N 2.97Å; E211-F214 VanDerWaalsContact O-N 3.15Å; E211-I215 WeakPolarHBondContact O-CG1 3.36Å; E211-I215 PolarHBondContact O-N 3.2Å
212C88.5Confident89.9Confident39 Ų3940.5 Ų40.526%0.26421%0.209SC..Hα-helixtrans-56.4-43.3174.9-62.90000111.4D209 I210 F214 I215 E216D209-C212 HydrophobicContact CB-CB 4.4Å; D209-C212 PolarHBondContact O-N 3.47Å; I210-C212 PolarHBondContact O-N 2.9Å; C212-F214 PolarHBondContact O-N 3.5Å; C212-I215 PolarHBondContact O-N 3.47Å; C212-E216 WeakPolarHBondContact O-CB 3.48Å; C212-E216 PolarHBondContact O-N 3.32Å
213T93Very high90Very high6 Ų639.9 Ų39.94%0.03721%0.207CC..Hα-helixtrans-62.4-41.8177.1-58.60000112.1I204 D209 I210 E211 R217 V242 F244 F487I204-T213 HydrophobicContact CD1-CG2 4.24Å; D209-T213 WeakPolarHBondContact O-CB 3.42Å; D209-T213 PolarHBondContact O-N 3.26Å; D209-T213 PolarHBondContact O-OG1 3.18Å; I210-T213 WeakPolarHBondContact O-CB 3.33Å; I210-T213 PolarHBondContact O-N 3.41Å; I210-T213 VanDerWaalsContact O-N 3.13Å; E211-T213 VanDerWaalsContact C-N 3.28Å; E211-T213 PolarHBondContact O-N 3.38Å; T213-R217 PolarHBondContact O-N 3.14Å; T213-R217 VanDerWaalsContact O-N 3.09Å; T213-V242 HydrophobicContact CG2-CG2 4.17Å; T213-F244 HydrophobicContact CG2-CE2 4.31Å; T213-F244 HydrophobicContact CG2-CZ 3.95Å; T213-F487 HydrophobicContact CG2-CD2 4.38Å; T213-F487 HydrophobicContact CG2-CE2 3.83Å
214F91Very high90Very high31 Ų3141.9 Ų41.914%0.13621%0.214CC..Hα-helixtrans-74.2-32.1177-85.1-89.6000113.2I210 E211 C212 R217 R218 Q483 S485 F487I210-F214 HydrophobicContact CG2-CD2 3.9Å; I210-F214 HydrophobicContact CG2-CE2 3.94Å; I210-F214 WeakPolarHBondContact O-CD2 3.45Å; I210-F214 PolarHBondContact O-N 3.3Å; E211-F214 PolarHBondContact O-N 2.97Å; E211-F214 VanDerWaalsContact O-N 3.15Å; C212-F214 PolarHBondContact O-N 3.5Å; F214-R217 WeakPolarHBondContact O-CB 3.15Å; F214-R218 VanDerWaalsContact O-CG 3.3Å; F214-R218 WeakPolarHBondContact O-CG 2.92Å; F214-R218 PolarHBondContact O-N 2.98Å; F214-Q483 WeakPolarHBondContact CE2-O 3.49Å; F214-S485 WeakPolarHBondContact CE1-O 3.4Å; F214-S485 WeakPolarHBondContact CZ-O 3.47Å; F214-F487 HydrophobicContact CE1-CB 4.09Å; F214-F487 HydrophobicContact CE1-CD2 4.45Å; F214-F487 HydrophobicContact CZ-CB 3.91Å; F214-F487 HydrophobicContact CZ-CD2 4.4Å
215I90.6Very high90.1Very high6 Ų647.1 Ų47.13%0.03124%0.238CC..Hα-helixtrans-63.5-50.4170.9-67.7162.1000109.5E211 C212 R217 R218 V219 C314 T316 N319E211-I215 WeakPolarHBondContact O-CG1 3.36Å; E211-I215 PolarHBondContact O-N 3.2Å; C212-I215 PolarHBondContact O-N 3.47Å; I215-R217 VanDerWaalsContact C-N 3.27Å; I215-R217 PolarHBondContact O-N 3.23Å; I215-R218 WeakPolarHBondContact O-CA 3.44Å; I215-R218 WeakPolarHBondContact O-CB 3.3Å; I215-R218 PolarHBondContact O-N 3.44Å; I215-V219 HydrophobicContact CG2-CG2 4.16Å; I215-V219 WeakPolarHBondContact O-CG2 3.34Å; I215-V219 PolarHBondContact O-N 2.71Å; I215-C314 HydrophobicContact CG2-CB 3.83Å; I215-T316 HydrophobicContact CG2-CG2 4.16Å; I215-N319 WeakPolarHBondContact CD1-ND2 3.43Å
216E94.7Very high90.5Very high5 Ų545.5 Ų45.52%0.02323%0.23CC..Hα-helixtrans-53.5-47.9177.3178.2167.2-166.500110.5K197 C212 R218 V219 L220 F244 F311K197-E216 IonicContact NZ-OE1 2.86Å; K197-E216 PolarHBondContact NZ-OE1 2.89Å; K197-E216 IonicContact NZ-OE2 2.76Å; K197-E216 PolarHBondContact NZ-OE2 3.38Å; C212-E216 WeakPolarHBondContact O-CB 3.48Å; C212-E216 PolarHBondContact O-N 3.32Å; E216-R218 VanDerWaalsContact C-N 3.32Å; E216-R218 PolarHBondContact O-N 3Å; E216-V219 PolarHBondContact O-N 3.33Å; E216-L220 HydrophobicContact CG-CD1 3.82Å; E216-L220 HydrophobicContact CG-CG 4.32Å; E216-L220 WeakPolarHBondContact O-CB 3.45Å; E216-L220 WeakPolarHBondContact O-CG 3.42Å; E216-L220 PolarHBondContact O-N 3.43Å; E216-F244 HydrophobicContact CG-CE1 4.36Å; E216-F244 HydrophobicContact CG-CZ 4.38Å; E216-F311 HydrophobicContact CG-CB 4.17Å
217R93.7Very high91Very high46 Ų4645.2 Ų45.217%0.17423%0.231CC..Hα-helixtrans-54-47.3174.5-166.2-168.964.4115.40.9112.4T213 F214 I215 V221 C235 F244 N486 F487T213-R217 PolarHBondContact O-N 3.14Å; T213-R217 VanDerWaalsContact O-N 3.09Å; F214-R217 WeakPolarHBondContact O-CB 3.15Å; I215-R217 VanDerWaalsContact C-N 3.27Å; I215-R217 PolarHBondContact O-N 3.23Å; R217-V221 VanDerWaalsContact O-CG2 3.3Å; R217-V221 WeakPolarHBondContact O-CG2 3.36Å; R217-V221 PolarHBondContact O-N 2.73Å; R217-C235 HydrophobicContact CG-CB 4.31Å; R217-F244 HydrophobicContact CB-CE1 3.76Å; R217-F244 HydrophobicContact CB-CZ 4.49Å; R217-F244 HydrophobicContact CG-CE1 4.14Å; R217-N486 PolarHBondContact NH1-O 3.4Å; R217-F487 HydrophobicContact CB-CE2 4.41Å; R217-F487 WeakPolarHBondContact CD-O 3.36Å; R217-F487 HydrophobicContact CG-CE2 4.42Å
218R92.2Very high91.7Very high104 Ų10443.5 Ų43.539%0.39221%0.213SC..Hα-helixtrans-67-39.2-178.4-75.4174.755.5-176.4-9112.3F214 I215 E216 M318F214-R218 VanDerWaalsContact O-CG 3.3Å; F214-R218 WeakPolarHBondContact O-CG 2.92Å; F214-R218 PolarHBondContact O-N 2.98Å; I215-R218 WeakPolarHBondContact O-CA 3.44Å; I215-R218 WeakPolarHBondContact O-CB 3.3Å; I215-R218 PolarHBondContact O-N 3.44Å; E216-R218 VanDerWaalsContact C-N 3.32Å; E216-R218 PolarHBondContact O-N 3Å; R218-M318 PolarHBondContact NH1-SD 2.9Å
219V94.2Very high92.5Very high2 Ų236.7 Ų36.71%0.01218%0.182CC..Hα-helixtrans-70.5-43.4179178.70000110.5I215 E216 V221 L222 L283 I288 F311 C314I215-V219 HydrophobicContact CG2-CG2 4.16Å; I215-V219 WeakPolarHBondContact O-CG2 3.34Å; I215-V219 PolarHBondContact O-N 2.71Å; E216-V219 PolarHBondContact O-N 3.33Å; V219-V221 PolarHBondContact O-N 3.18Å; V219-L222 WeakPolarHBondContact O-CA 3.44Å; V219-L222 VanDerWaalsContact O-CB 3.25Å; V219-L222 WeakPolarHBondContact O-CB 3.43Å; V219-L222 PolarHBondContact O-N 2.81Å; V219-L283 HydrophobicContact CG1-CD2 3.86Å; V219-I288 HydrophobicContact CG2-CD1 4.19Å; V219-I288 HydrophobicContact CG2-CG2 4.18Å; V219-F311 HydrophobicContact CB-CB 3.94Å; V219-F311 HydrophobicContact CB-CG 4.15Å; V219-F311 HydrophobicContact CG1-CB 3.83Å; V219-F311 HydrophobicContact CG1-CD1 3.49Å; V219-F311 VanDerWaalsContact CG1-CD1 3.49Å; V219-F311 HydrophobicContact CG1-CD2 4.18Å; V219-F311 HydrophobicContact CG1-CE1 4.09Å; V219-F311 HydrophobicContact CG1-CG 3.55Å; V219-C314 HydrophobicContact CG2-CB 4.01Å
220L95.2Very high93Very high1 Ų135.1 Ų35.11%0.00517%0.173CC..Hα-helixtrans-57.4-34.5176.8-82.9170.6000113.5E216 L222 G223 T230 V232 F244 M246 F311E216-L220 HydrophobicContact CG-CD1 3.82Å; E216-L220 HydrophobicContact CG-CG 4.32Å; E216-L220 WeakPolarHBondContact O-CB 3.45Å; E216-L220 WeakPolarHBondContact O-CG 3.42Å; E216-L220 PolarHBondContact O-N 3.43Å; L220-L222 PolarHBondContact O-N 3.42Å; L220-G223 PolarHBondContact O-N 3.13Å; L220-G223 VanDerWaalsContact O-N 3.11Å; L220-T230 HydrophobicContact CD2-CG2 4.23Å; L220-V232 HydrophobicContact CB-CB 3.86Å; L220-V232 HydrophobicContact CB-CG1 3.69Å; L220-V232 HydrophobicContact CD1-CB 4.45Å; L220-F244 HydrophobicContact CD1-CB 4.36Å; L220-F244 HydrophobicContact CD1-CD1 3.49Å; L220-F244 VanDerWaalsContact CD1-CD1 3.49Å; L220-F244 HydrophobicContact CD1-CE1 3.99Å; L220-F244 HydrophobicContact CD1-CG 4.14Å; L220-M246 HydrophobicContact CD1-SD 4.04Å; L220-M246 HydrophobicContact CD2-CG 4.36Å; L220-M246 HydrophobicContact CD2-SD 3.93Å; L220-F311 HydrophobicContact CD2-CD2 3.57Å; L220-F311 HydrophobicContact CD2-CE2 3.68Å; L220-F311 HydrophobicContact CG-CD2 3.79Å; L220-F311 HydrophobicContact CG-CE2 4.34Å
221V93.4Very high93.2Very high42 Ų4236.4 Ų36.426%0.25518%0.178SC..Hα-helixtrans-63.8-26175.5169.90000111.9R217 V219 G223 V232 Y489R217-V221 VanDerWaalsContact O-CG2 3.3Å; R217-V221 WeakPolarHBondContact O-CG2 3.36Å; R217-V221 PolarHBondContact O-N 2.73Å; V219-V221 PolarHBondContact O-N 3.18Å; V221-G223 VanDerWaalsContact C-N 3.26Å; V221-G223 PolarHBondContact O-N 3.25Å; V221-V232 HydrophobicContact CG2-CG1 4.03Å; V221-Y489 HydrophobicContact CG1-CE2 4.13Å; V221-Y489 HydrophobicContact CG2-CD1 3.9Å; V221-Y489 HydrophobicContact CG2-CD2 4.11Å; V221-Y489 HydrophobicContact CG2-CE1 3.7Å; V221-Y489 HydrophobicContact CG2-CE2 3.91Å; V221-Y489 HydrophobicContact CG2-CG 4.11Å
222L93.1Very high93.7Very high35 Ų3530.8 Ų30.818%0.18315%0.152CC..G310 helixtrans-76-14.4176.3-55.4174.9000112.9V219 L220 E224 Q225 F282 I288V219-L222 WeakPolarHBondContact O-CA 3.44Å; V219-L222 VanDerWaalsContact O-CB 3.25Å; V219-L222 WeakPolarHBondContact O-CB 3.43Å; V219-L222 PolarHBondContact O-N 2.81Å; L220-L222 PolarHBondContact O-N 3.42Å; L222-E224 PolarHBondContact O-N 3.05Å; L222-E224 VanDerWaalsContact O-N 3.09Å; L222-Q225 WeakPolarHBondContact O-CB 3.31Å; L222-Q225 PolarHBondContact O-N 3.45Å; L222-F282 HydrophobicContact CB-CE1 4.03Å; L222-F282 HydrophobicContact CB-CZ 4.24Å; L222-I288 HydrophobicContact CD1-CD1 3.59Å
223G92.8Very high94Very high6 Ų630.5 Ų30.56%0.06215%0.146CC..G310 helixtrans-59.1-24.4-175.400000114.1L220 V221 Q225 C226L220-G223 PolarHBondContact O-N 3.13Å; L220-G223 VanDerWaalsContact O-N 3.11Å; V221-G223 VanDerWaalsContact C-N 3.26Å; V221-G223 PolarHBondContact O-N 3.25Å; G223-Q225 PolarHBondContact O-N 3Å; G223-C226 PolarHBondContact O-N 3.44Å
224E89.2Confident94.1Very high87 Ų8730.3 Ų30.341%0.40715%0.145SC..G310 helixtrans-64.9-24173.8-172.9166.1-11200113.4L222 N491L222-E224 PolarHBondContact O-N 3.05Å; L222-E224 VanDerWaalsContact O-N 3.09Å; E224-N491 PolarHBondContact OE1-ND2 2.81Å; E224-N491 PolarHBondContact OE1-OD1 3.19Å
225Q93.4Very high94.3Very high112 Ų11228.8 Ų28.852%0.52314%0.138SC..G310 helixtrans-91.7-8.5-178.2-59.2170.437.400113L222 G223 F282L222-Q225 WeakPolarHBondContact O-CB 3.31Å; L222-Q225 PolarHBondContact O-N 3.45Å; G223-Q225 PolarHBondContact O-N 3Å; Q225-F282 HydrophobicContact CB-CE2 3.78Å; Q225-F282 HydrophobicContact CB-CZ 3.71Å
226C95.2Very high94.6Very high6 Ų628.9 Ų28.94%0.04114%0.138CC..  trans-136.8116.7-177.5-1740000110.8G223 F228 L229 F282G223-C226 PolarHBondContact O-N 3.44Å; C226-F228 PolarHBondContact O-N 2.65Å; C226-L229 HydrophobicContact CB-CB 4.27Å; C226-L229 HydrophobicContact CB-CD1 3.9Å; C226-L229 HydrophobicContact CB-CG 3.83Å; C226-L229 PolarHBondContact O-N 2.91Å; C226-L229 VanDerWaalsContact O-N 3.14Å; C226-F282 HydrophobicContact CB-CB 4.43Å; C226-F282 HydrophobicContact CB-CD1 3.82Å; C226-F282 HydrophobicContact CB-CD2 3.67Å; C226-F282 HydrophobicContact CB-CE1 3.94Å; C226-F282 HydrophobicContact CB-CE2 3.76Å; C226-F282 HydrophobicContact CB-CG 3.7Å; C226-F282 HydrophobicContact CB-CZ 3.92Å
227P95.8Very high94.6Very high53 Ų5331.5 Ų31.534%0.34415%0.15SC..THydrogen-bonded Turntrans-69.5-3.4-176.430.7-37.4000114.3H307 R438P227-H307 PolarHBondContact O-CD2 2.85Å; P227-H307 VanDerWaalsContact O-CD2 3.29Å; P227-H307 PolarHBondContact O-NE2 2.87Å; P227-R438 HydrophobicContact CB-CG 4.05Å; P227-R438 HydrophobicContact CG-CG 4.32Å
228F97.8Very high94.6Very high3 Ų330.4 Ų30.41%0.01315%0.15CC..THydrogen-bonded Turntrans-11111.1179.1-53.1-60000112.6C226 E275 C278 H307 L308 V435 R438C226-F228 PolarHBondContact O-N 2.65Å; F228-E275 HydrophobicContact CD1-CB 3.8Å; F228-E275 HydrophobicContact CD1-CG 4.15Å; F228-E275 HydrophobicContact CE1-CB 3.75Å; F228-E275 HydrophobicContact CE1-CG 3.58Å; F228-E275 HydrophobicContact CG-CB 4.39Å; F228-E275 HydrophobicContact CZ-CB 4.27Å; F228-E275 HydrophobicContact CZ-CG 4.01Å; F228-C278 HydrophobicContact CD2-CB 3.49Å; F228-C278 VanDerWaalsContact CD2-CB 3.49Å; F228-C278 HydrophobicContact CE2-CB 3.58Å; F228-H307 CarbonylContact O-C 3.56Å; F228-H307 WeakPolarHBondContact O-CA 2.93Å; F228-L308 PolarHBondContact O-N 2.8Å; F228-V435 HydrophobicContact CE2-CG1 4.08Å; F228-V435 HydrophobicContact CZ-CG1 3.74Å; F228-V435 WeakPolarHBondContact CZ-O 3.48Å; F228-R438 HydrophobicContact CE1-CG 3.92Å; F228-R438 HydrophobicContact CZ-CG 4.11Å
229L97.7Very high94.7Very high3 Ų328.8 Ų28.82%0.01615%0.153CC..BIsolated β-bridgetrans-113.7147.4171.4-64.1-174.8000109.5C226 K231 F282 L283 L308 F311C226-L229 HydrophobicContact CB-CB 4.27Å; C226-L229 HydrophobicContact CB-CD1 3.9Å; C226-L229 HydrophobicContact CB-CG 3.83Å; C226-L229 PolarHBondContact O-N 2.91Å; C226-L229 VanDerWaalsContact O-N 3.14Å; L229-K231 PolarHBondContact O-N 3.23Å; L229-F282 HydrophobicContact CD1-CD1 3.5Å; L229-F282 VanDerWaalsContact CD1-CD1 3.5Å; L229-F282 HydrophobicContact CD1-CE1 3.54Å; L229-F282 HydrophobicContact CG-CD1 4.46Å; L229-L283 HydrophobicContact CD1-CD2 3.88Å; L229-L283 HydrophobicContact CD1-CG 4.37Å; L229-L283 HydrophobicContact CD2-CD1 4.22Å; L229-L283 HydrophobicContact CD2-CD2 4.49Å; L229-L283 HydrophobicContact CD2-CG 4.32Å; L229-L308 HydrophobicContact CD2-CB 3.77Å; L229-L308 HydrophobicContact CD2-CD1 3.78Å; L229-L308 HydrophobicContact CD2-CG 4.02Å; L229-F311 HydrophobicContact CB-CZ 4.18Å; L229-F311 HydrophobicContact CD2-CE1 3.88Å; L229-F311 HydrophobicContact CD2-CZ 3.87Å; L229-F311 HydrophobicContact CG-CZ 4.47Å
230T97.1Very high94.7Very high4 Ų431.3 Ų31.33%0.02516%0.164CC..  trans-64.9130167.5-58.30000110.3L220 M246 F249 L308 T309L220-T230 HydrophobicContact CD2-CG2 4.23Å; T230-M246 HydrophobicContact CG2-CB 3.93Å; T230-M246 HydrophobicContact CG2-CG 4.45Å; T230-M246 HydrophobicContact CG2-SD 4.38Å; T230-F249 HydrophobicContact CG2-CE2 3.86Å; T230-F249 WeakPolarHBondContact OG1-CE2 3.33Å; T230-L308 PolarHBondContact N-O 3.29Å; T230-L308 PolarHBondContact OG1-O 3.42Å; T230-T309 WeakPolarHBondContact OG1-CG2 3.48Å
231K93.5Very high94.7Very high54 Ų5431.9 Ų31.924%0.23517%0.167CC..  trans-94151.1171.970.7-179.2178.6-104.70112.3L229 F233 M246 E247L229-K231 PolarHBondContact O-N 3.23Å; K231-F233 HydrophobicContact CD-CZ 4.17Å; K231-F233 HydrophobicContact CG-CE2 4.25Å; K231-F233 HydrophobicContact CG-CZ 4.33Å; K231-M246 WeakPolarHBondContact O-CA 3.37Å; K231-E247 WeakPolarHBondContact CE-OE2 3.41Å; K231-E247 HydrophobicContact CG-CB 4.06Å; K231-E247 WeakPolarHBondContact CG-OE2 3.38Å; K231-E247 IonicContact NZ-OE1 2.68Å; K231-E247 PolarHBondContact NZ-OE1 3.06Å; K231-E247 IonicContact NZ-OE2 2.77Å; K231-E247 PolarHBondContact NZ-OE2 2.81Å; K231-E247 PolarHBondContact O-N 2.76Å; K231-E247 VanDerWaalsContact O-N 3.08Å
232V95.6Very high94.8Very high2 Ų229.9 Ų29.91%0.01216%0.155CC..EExtended strand (participates in β ladder)trans-107.2138.1170.670.50000111.4L220 V221 W234 C235 V245 M246 Y489L220-V232 HydrophobicContact CB-CB 3.86Å; L220-V232 HydrophobicContact CB-CG1 3.69Å; L220-V232 HydrophobicContact CD1-CB 4.45Å; V221-V232 HydrophobicContact CG2-CG1 4.03Å; V232-W234 WeakPolarHBondContact CG2-O 3.29Å; V232-C235 VanDerWaalsContact CG2-SG 3.59Å; V232-V245 WeakPolarHBondContact CG2-O 3.49Å; V232-M246 HydrophobicContact CB-CG 4.45Å; V232-M246 HydrophobicContact CG2-CG 4.23Å; V232-Y489 HydrophobicContact CG1-CD1 4.26Å; V232-Y489 HydrophobicContact CG1-CE1 4.09Å
233F94.9Very high95Very high33 Ų3328.2 Ų28.215%0.14515%0.146CC..EExtended strand (participates in β ladder)trans-97-42.2177.2-63.5-89.5000111.4Y194 K231 V245 E247 N491 V494Y194-F233 AromaticContact CD1-CD2 3.56Å; Y194-F233 HydrophobicContact CD1-CD2 3.56Å; Y194-F233 AromaticContact CD1-CE2 3.66Å; Y194-F233 HydrophobicContact CD1-CE2 3.66Å; Y194-F233 HydrophobicContact CD1-CG 4.16Å; Y194-F233 HydrophobicContact CD1-CZ 4.31Å; Y194-F233 HydrophobicContact CE1-CD1 4.07Å; Y194-F233 AromaticContact CE1-CD2 3.64Å; Y194-F233 HydrophobicContact CE1-CD2 3.64Å; Y194-F233 HydrophobicContact CE1-CE1 4.1Å; Y194-F233 AromaticContact CE1-CE2 3.67Å; Y194-F233 HydrophobicContact CE1-CE2 3.67Å; Y194-F233 AromaticContact CE1-CG 3.83Å; Y194-F233 HydrophobicContact CE1-CG 3.83Å; Y194-F233 AromaticContact CE1-CZ 3.88Å; Y194-F233 HydrophobicContact CE1-CZ 3.88Å; K231-F233 HydrophobicContact CD-CZ 4.17Å; K231-F233 HydrophobicContact CG-CE2 4.25Å; K231-F233 HydrophobicContact CG-CZ 4.33Å; F233-V245 PolarHBondContact N-O 2.98Å; F233-E247 HydrophobicContact CE2-CB 4.04Å; F233-N491 WeakPolarHBondContact O-CB 3.36Å; F233-N491 PolarHBondContact O-N 2.86Å; F233-V494 HydrophobicContact CB-CG2 4.22Å; F233-V494 HydrophobicContact CD1-CG1 4.38Å; F233-V494 HydrophobicContact CD1-CG2 3.7Å; F233-V494 HydrophobicContact CG-CG2 4.47Å
234W95.1Very high95.2Very high1 Ų128 Ų280%0.00414%0.143CC..EExtended strand (participates in β ladder)trans-143.3143.7178.8-57.5-86.2000111.6I163 F168 L187 Y194 V232 V245 Y489 V494I163-W234 HydrophobicContact CD1-CB 4.19Å; I163-W234 HydrophobicContact CD1-CD2 3.48Å; I163-W234 VanDerWaalsContact CD1-CD2 3.48Å; I163-W234 HydrophobicContact CD1-CE3 4.08Å; I163-W234 HydrophobicContact CD1-CG 3.52Å; I163-W234 HydrophobicContact CD1-CZ2 4.17Å; I163-W234 HydrophobicContact CG2-CB 4.22Å; I163-W234 HydrophobicContact CG2-CG 4.22Å; F168-W234 HydrophobicContact CZ-CE3 4.36Å; L187-W234 HydrophobicContact CD2-CH2 4.21Å; Y194-W234 HydrophobicContact CD1-CZ3 4.25Å; Y194-W234 HydrophobicContact CD2-CZ3 4.42Å; Y194-W234 HydrophobicContact CE1-CH2 4.38Å; Y194-W234 AromaticContact CE1-CZ3 3.8Å; Y194-W234 HydrophobicContact CE1-CZ3 3.8Å; Y194-W234 HydrophobicContact CE2-CH2 4.33Å; Y194-W234 AromaticContact CE2-CZ3 3.99Å; Y194-W234 HydrophobicContact CE2-CZ3 3.99Å; Y194-W234 AromaticContact CZ-CH2 3.9Å; Y194-W234 AromaticContact CZ-CZ3 3.65Å; V232-W234 WeakPolarHBondContact CG2-O 3.29Å; W234-V245 HydrophobicContact CB-CB 4.17Å; W234-V245 HydrophobicContact CB-CG2 4.23Å; W234-V245 HydrophobicContact CE3-CB 3.86Å; W234-V245 HydrophobicContact CE3-CG1 3.6Å; W234-V245 HydrophobicContact CE3-CG2 4.49Å; W234-V245 HydrophobicContact CZ3-CG1 4.01Å; W234-V245 PolarHBondContact N-O 2.85Å; W234-V245 PolarHBondContact O-N 3.08Å; W234-Y489 WeakPolarHBondContact CA-O 3.45Å; W234-V494 HydrophobicContact CH2-CB 4.38Å; W234-V494 HydrophobicContact CH2-CG1 3.33Å; W234-V494 HydrophobicContact CZ2-CB 3.82Å; W234-V494 HydrophobicContact CZ2-CG1 3.14Å; W234-V494 HydrophobicContact CZ3-CG1 4.31Å
235C95.9Very high95.6Very high0 Ų023.8 Ų23.80%012%0.124CC..EExtended strand (participates in β ladder)trans-120.3127161.8-51.50000107.5R217 V232 F243 F487 T488 Y489R217-C235 HydrophobicContact CG-CB 4.31Å; V232-C235 VanDerWaalsContact CG2-SG 3.59Å; C235-F243 VanDerWaalsContact CA-O 3.26Å; C235-F243 WeakPolarHBondContact CA-O 3.46Å; C235-F487 HydrophobicContact CB-CD1 4.25Å; C235-F487 HydrophobicContact CB-CE1 3.73Å; C235-F487 HydrophobicContact CB-CZ 4.06Å; C235-T488 CarbonylContact O-C 3.54Å; C235-T488 VanDerWaalsContact O-CA 3.26Å; C235-T488 WeakPolarHBondContact O-CA 3.28Å; C235-Y489 PolarHBondContact N-O 2.92Å; C235-Y489 PolarHBondContact O-N 3.19Å; C235-Y489 VanDerWaalsContact O-O 3.12Å
236F95.9Very high95.8Very high7 Ų719.3 Ų19.33%0.03110%0.103CC..EExtended strand (participates in β ladder)trans-144.9174.1177.267.8-90.3000110.1I163 I165 F168 M196 F243 V245 F487I163-F236 HydrophobicContact CG2-CB 3.93Å; I163-F236 HydrophobicContact CG2-CD1 3.84Å; I163-F236 HydrophobicContact CG2-CG 4.07Å; I165-F236 HydrophobicContact CB-CE2 4.15Å; I165-F236 HydrophobicContact CB-CZ 4.5Å; I165-F236 VanDerWaalsContact N-CE2 3.28Å; F168-F236 HydrophobicContact CD2-CE1 4.5Å; F168-F236 HydrophobicContact CD2-CZ 4.37Å; F168-F236 AromaticContact CE2-CE1 3.8Å; F168-F236 HydrophobicContact CE2-CE1 3.8Å; F168-F236 HydrophobicContact CE2-CZ 4.09Å; M196-F236 HydrophobicContact CE-CE1 4.1Å; M196-F236 HydrophobicContact CE-CZ 3.91Å; M196-F236 HydrophobicContact SD-CZ 4.3Å; F236-F243 HydrophobicContact CD1-CB 4.03Å; F236-F243 HydrophobicContact CD2-CB 4.1Å; F236-F243 AromaticContact CD2-CD2 3.5Å; F236-F243 HydrophobicContact CD2-CD2 3.5Å; F236-F243 HydrophobicContact CD2-CE2 4.25Å; F236-F243 HydrophobicContact CD2-CG 4.06Å; F236-F243 HydrophobicContact CE1-CB 3.75Å; F236-F243 HydrophobicContact CE1-CG 4.29Å; F236-F243 HydrophobicContact CE2-CB 3.79Å; F236-F243 HydrophobicContact CE2-CD1 4.31Å; F236-F243 AromaticContact CE2-CD2 3.17Å; F236-F243 HydrophobicContact CE2-CD2 3.17Å; F236-F243 AromaticContact CE2-CE2 3.75Å; F236-F243 HydrophobicContact CE2-CE2 3.75Å; F236-F243 AromaticContact CE2-CG 3.5Å; F236-F243 HydrophobicContact CE2-CG 3.5Å; F236-F243 VanDerWaalsContact CE2-CG 3.5Å; F236-F243 HydrophobicContact CG-CB 4.2Å; F236-F243 HydrophobicContact CG-CD2 4.37Å; F236-F243 HydrophobicContact CZ-CB 3.61Å; F236-F243 HydrophobicContact CZ-CD1 4.25Å; F236-F243 AromaticContact CZ-CD2 3.84Å; F236-F243 HydrophobicContact CZ-CD2 3.84Å; F236-F243 AromaticContact CZ-CG 3.63Å; F236-F243 HydrophobicContact CZ-CG 3.63Å; F236-F243 PolarHBondContact N-O 2.83Å; F236-F243 VanDerWaalsContact N-O 3.08Å; F236-F243 PolarHBondContact O-N 2.9Å; F236-V245 HydrophobicContact CD1-CG2 4.19Å; F236-V245 HydrophobicContact CE1-CG2 3.55Å; F236-F487 VanDerWaalsContact O-CE1 3.32Å; F236-F487 WeakPolarHBondContact O-CE1 3.42Å
237Q95.3Very high95.8Very high60 Ų6021.6 Ų21.628%0.2811%0.113SC..EExtended strand (participates in β ladder)trans-142.8151.5-175.759.8-178.2-69.100111.2Y241 V242 F484 F487Q237-Y241 CarbonylContact C-O 3.52Å; Q237-Y241 VanDerWaalsContact CA-O 3.28Å; Q237-Y241 WeakPolarHBondContact CA-O 3.39Å; Q237-Y241 WeakPolarHBondContact CB-O 3.47Å; Q237-V242 HydrophobicContact CB-CG1 4.14Å; Q237-F484 PolarHBondContact NE2-O 3.45Å; Q237-F487 HydrophobicContact CB-CD1 4.44Å
238S94.1Very high95.8Very high24 Ų2420.3 Ų20.317%0.16810%0.102CC..  trans-109.6179162.873.60000108.9K201 E240 Y241K201-S238 WeakPolarHBondContact CE-O 3.37Å; K201-S238 PolarHBondContact NZ-O 3.3Å; S238-E240 WeakPolarHBondContact CB-OE2 3.42Å; S238-E240 PolarHBondContact O-N 3.16Å; S238-E240 PolarHBondContact OG-N 3.36Å; S238-E240 PolarHBondContact OG-OE2 3.17Å; S238-Y241 PolarHBondContact N-O 3.17Å; S238-Y241 PolarHBondContact OG-N 3.38Å; S238-Y241 VanDerWaalsContact OG-N 3.1Å
239P94Very high95.8Very high70 Ų7020.5 Ų20.546%0.45510%0.102SC..SBendtrans-55.5-34.6171.5-28.939.3000113.6K201 L476 Q481K201-P239 WeakPolarHBondContact CD-O 3.47Å; P239-L476 HydrophobicContact CB-CD1 3.75Å; P239-L476 HydrophobicContact CB-CD2 4.29Å; P239-L476 HydrophobicContact CB-CG 4.46Å; P239-L476 WeakPolarHBondContact O-CD1 3.3Å; P239-Q481 PolarHBondContact O-NE2 3.18Å
240E93.5Very high95.8Very high54 Ų5421 Ų2125%0.25211%0.106SC..SBendtrans-100.2-25-173.7-35.974.2-173.600113.8K201 S238 L471 L476K201-E240 PolarHBondContact N-O 3.08Å; S238-E240 WeakPolarHBondContact CB-OE2 3.42Å; S238-E240 PolarHBondContact O-N 3.16Å; S238-E240 PolarHBondContact OG-N 3.36Å; S238-E240 PolarHBondContact OG-OE2 3.17Å; E240-L471 HydrophobicContact CB-CB 4.13Å; E240-L471 HydrophobicContact CG-CB 4.04Å; E240-L476 HydrophobicContact CB-CD1 4.34Å; E240-L476 HydrophobicContact CG-CD1 3.84Å; E240-L476 HydrophobicContact CG-CD2 4.28Å
241Y95.5Very high95.7Very high14 Ų1420.8 Ų20.86%0.05511%0.105CC..EExtended strand (participates in β ladder)trans-131.8154.1-168.9-70.6-90.1000113.5C198 L199 K200 Q237 S238 F243 L468 T469C198-Y241 HydrophobicContact CB-CD1 4.41Å; L199-Y241 CarbonylContact O-C 3.5Å; L199-Y241 VanDerWaalsContact O-CA 3.27Å; L199-Y241 WeakPolarHBondContact O-CA 3.47Å; L199-Y241 WeakPolarHBondContact O-CD1 3.45Å; K200-Y241 HydrophobicContact CB-CE1 4.32Å; K200-Y241 HydrophobicContact CD-CE1 4.38Å; K200-Y241 WeakPolarHBondContact CE-OH 3.37Å; K200-Y241 HydrophobicContact CG-CD1 3.93Å; K200-Y241 HydrophobicContact CG-CE1 3.29Å; Q237-Y241 CarbonylContact C-O 3.52Å; Q237-Y241 VanDerWaalsContact CA-O 3.28Å; Q237-Y241 WeakPolarHBondContact CA-O 3.39Å; Q237-Y241 WeakPolarHBondContact CB-O 3.47Å; S238-Y241 PolarHBondContact N-O 3.17Å; S238-Y241 PolarHBondContact OG-N 3.38Å; S238-Y241 VanDerWaalsContact OG-N 3.1Å; Y241-F243 VanDerWaalsContact CB-CE2 3.43Å; Y241-F243 HydrophobicContact CD2-CZ 4.26Å; Y241-F243 HydrophobicContact CG-CE1 4.29Å; Y241-F243 HydrophobicContact CG-CE2 4.47Å; Y241-F243 AromaticContact CG-CZ 3.85Å; Y241-F243 HydrophobicContact CG-CZ 3.85Å; Y241-L468 HydrophobicContact CD2-CD1 4.32Å; Y241-L468 HydrophobicContact CE1-CD1 4.46Å; Y241-L468 HydrophobicContact CE1-CD2 4.24Å; Y241-L468 HydrophobicContact CE2-CB 4.21Å; Y241-L468 HydrophobicContact CE2-CD1 4.27Å; Y241-T469 PolarHBondContact OH-N 3.31Å; Y241-T469 PolarHBondContact OH-O 3.21Å
242V96.1Very high95.9Very high0 Ų018.2 Ų18.20%09%0.093CC..EExtended strand (participates in β ladder)trans-110.4145.1157-610000109.8L199 K201 I204 T213 Q237 F484 F487L199-V242 HydrophobicContact CB-CG2 3.78Å; L199-V242 HydrophobicContact CD1-CG2 4.42Å; L199-V242 HydrophobicContact CG-CG2 4.46Å; L199-V242 PolarHBondContact N-O 3.03Å; L199-V242 PolarHBondContact O-N 2.96Å; K201-V242 HydrophobicContact CG-CG1 4.09Å; I204-V242 HydrophobicContact CD1-CG2 3.59Å; T213-V242 HydrophobicContact CG2-CG2 4.17Å; Q237-V242 HydrophobicContact CB-CG1 4.14Å; V242-F484 HydrophobicContact CG1-CD1 3.63Å; V242-F484 HydrophobicContact CG1-CE1 4.08Å; V242-F484 HydrophobicContact CG1-CG 4.31Å; V242-F487 HydrophobicContact CB-CD1 4.12Å; V242-F487 HydrophobicContact CB-CE1 3.67Å; V242-F487 HydrophobicContact CB-CE2 4.22Å; V242-F487 HydrophobicContact CB-CZ 3.73Å; V242-F487 HydrophobicContact CG1-CD1 4.15Å; V242-F487 HydrophobicContact CG1-CE1 4.21Å; V242-F487 HydrophobicContact CG1-CG 4.33Å; V242-F487 HydrophobicContact CG1-CZ 4.44Å; V242-F487 HydrophobicContact CG2-CE2 4.45Å; V242-F487 HydrophobicContact CG2-CZ 4.18Å
243F97.3Very high95.9Very high0 Ų019.7 Ų19.70%010%0.101CC..EExtended strand (participates in β ladder)trans-128.5131.6-172.3-58.4-84000110.9I165 M196 K197 C198 C235 F236 Y241 L468I165-F243 HydrophobicContact CD1-CE1 3.75Å; I165-F243 HydrophobicContact CD1-CZ 3.59Å; I165-F243 HydrophobicContact CG1-CZ 4.5Å; M196-F243 HydrophobicContact CG-CD1 4.19Å; M196-F243 HydrophobicContact SD-CD1 3.77Å; M196-F243 HydrophobicContact SD-CE1 4.38Å; K197-F243 WeakPolarHBondContact O-CA 3.43Å; C198-F243 HydrophobicContact CB-CD1 4.07Å; C198-F243 HydrophobicContact CB-CE1 4.02Å; C235-F243 VanDerWaalsContact CA-O 3.26Å; C235-F243 WeakPolarHBondContact CA-O 3.46Å; F236-F243 HydrophobicContact CD1-CB 4.03Å; F236-F243 HydrophobicContact CD2-CB 4.1Å; F236-F243 AromaticContact CD2-CD2 3.5Å; F236-F243 HydrophobicContact CD2-CD2 3.5Å; F236-F243 HydrophobicContact CD2-CE2 4.25Å; F236-F243 HydrophobicContact CD2-CG 4.06Å; F236-F243 HydrophobicContact CE1-CB 3.75Å; F236-F243 HydrophobicContact CE1-CG 4.29Å; F236-F243 HydrophobicContact CE2-CB 3.79Å; F236-F243 HydrophobicContact CE2-CD1 4.31Å; F236-F243 AromaticContact CE2-CD2 3.17Å; F236-F243 HydrophobicContact CE2-CD2 3.17Å; F236-F243 AromaticContact CE2-CE2 3.75Å; F236-F243 HydrophobicContact CE2-CE2 3.75Å; F236-F243 AromaticContact CE2-CG 3.5Å; F236-F243 HydrophobicContact CE2-CG 3.5Å; F236-F243 VanDerWaalsContact CE2-CG 3.5Å; F236-F243 HydrophobicContact CG-CB 4.2Å; F236-F243 HydrophobicContact CG-CD2 4.37Å; F236-F243 HydrophobicContact CZ-CB 3.61Å; F236-F243 HydrophobicContact CZ-CD1 4.25Å; F236-F243 AromaticContact CZ-CD2 3.84Å; F236-F243 HydrophobicContact CZ-CD2 3.84Å; F236-F243 AromaticContact CZ-CG 3.63Å; F236-F243 HydrophobicContact CZ-CG 3.63Å; F236-F243 PolarHBondContact N-O 2.83Å; F236-F243 VanDerWaalsContact N-O 3.08Å; F236-F243 PolarHBondContact O-N 2.9Å; Y241-F243 VanDerWaalsContact CB-CE2 3.43Å; Y241-F243 HydrophobicContact CD2-CZ 4.26Å; Y241-F243 HydrophobicContact CG-CE1 4.29Å; Y241-F243 HydrophobicContact CG-CE2 4.47Å; Y241-F243 AromaticContact CG-CZ 3.85Å; Y241-F243 HydrophobicContact CG-CZ 3.85Å; F243-L468 HydrophobicContact CE1-CD1 3.73Å; F243-L468 HydrophobicContact CZ-CD1 4.05Å
244F96.9Very high96Very high0 Ų018.1 Ų18.10%09%0.094CC..EExtended strand (participates in β ladder)trans-111.5118.5166.7-56-97.1000108.7M196 K197 L199 T213 E216 R217 L220 M246 F487M196-F244 CarbonylContact C-O 3.47Å; M196-F244 VanDerWaalsContact CA-O 3.28Å; M196-F244 WeakPolarHBondContact CA-O 3.45Å; K197-F244 HydrophobicContact CB-CB 4.26Å; K197-F244 HydrophobicContact CB-CD2 4.39Å; K197-F244 HydrophobicContact CG-CD2 4.49Å; K197-F244 PolarHBondContact N-O 2.8Å; K197-F244 PolarHBondContact O-N 2.85Å; L199-F244 HydrophobicContact CD1-CE2 3.82Å; L199-F244 HydrophobicContact CG-CE2 4.42Å; T213-F244 HydrophobicContact CG2-CE2 4.31Å; T213-F244 HydrophobicContact CG2-CZ 3.95Å; E216-F244 HydrophobicContact CG-CE1 4.36Å; E216-F244 HydrophobicContact CG-CZ 4.38Å; R217-F244 HydrophobicContact CB-CE1 3.76Å; R217-F244 HydrophobicContact CB-CZ 4.49Å; R217-F244 HydrophobicContact CG-CE1 4.14Å; L220-F244 HydrophobicContact CD1-CB 4.36Å; L220-F244 HydrophobicContact CD1-CD1 3.49Å; L220-F244 VanDerWaalsContact CD1-CD1 3.49Å; L220-F244 HydrophobicContact CD1-CE1 3.99Å; L220-F244 HydrophobicContact CD1-CG 4.14Å; F244-M246 HydrophobicContact CB-CG 4.07Å; F244-M246 HydrophobicContact CB-SD 4.14Å; F244-F487 HydrophobicContact CD1-CZ 4.14Å; F244-F487 HydrophobicContact CD2-CZ 4.24Å; F244-F487 AromaticContact CE1-CE2 3.79Å; F244-F487 HydrophobicContact CE1-CE2 3.79Å; F244-F487 AromaticContact CE1-CZ 3.67Å; F244-F487 HydrophobicContact CE1-CZ 3.67Å; F244-F487 HydrophobicContact CE2-CE2 4.12Å; F244-F487 AromaticContact CE2-CZ 3.77Å; F244-F487 HydrophobicContact CE2-CZ 3.77Å; F244-F487 HydrophobicContact CG-CZ 4.42Å; F244-F487 AromaticContact CZ-CE2 3.48Å; F244-F487 HydrophobicContact CZ-CE2 3.48Å; F244-F487 VanDerWaalsContact CZ-CE2 3.48Å; F244-F487 AromaticContact CZ-CZ 3.49Å; F244-F487 HydrophobicContact CZ-CZ 3.49Å; F244-F487 VanDerWaalsContact CZ-CZ 3.49Å
245V97.3Very high96Very high0 Ų019.8 Ų19.80%010%0.103CC..EExtended strand (participates in β ladder)trans-100.5106.6175.5-172.70000108.4F168 Y194 M196 V232 F233 W234 F236F168-V245 HydrophobicContact CE1-CG1 4.03Å; F168-V245 HydrophobicContact CE2-CG2 4.27Å; F168-V245 HydrophobicContact CZ-CG1 4.07Å; F168-V245 HydrophobicContact CZ-CG2 3.88Å; Y194-V245 HydrophobicContact CD1-CG1 4.12Å; Y194-V245 HydrophobicContact CD2-CG1 4.35Å; Y194-V245 HydrophobicContact CG-CG1 3.76Å; M196-V245 HydrophobicContact CE-CG2 3.73Å; M196-V245 HydrophobicContact CG-CG2 4.31Å; V232-V245 WeakPolarHBondContact CG2-O 3.49Å; F233-V245 PolarHBondContact N-O 2.98Å; W234-V245 HydrophobicContact CB-CB 4.17Å; W234-V245 HydrophobicContact CB-CG2 4.23Å; W234-V245 HydrophobicContact CE3-CB 3.86Å; W234-V245 HydrophobicContact CE3-CG1 3.6Å; W234-V245 HydrophobicContact CE3-CG2 4.49Å; W234-V245 HydrophobicContact CZ3-CG1 4.01Å; W234-V245 PolarHBondContact N-O 2.85Å; W234-V245 PolarHBondContact O-N 3.08Å; F236-V245 HydrophobicContact CD1-CG2 4.19Å; F236-V245 HydrophobicContact CE1-CG2 3.55Å
246M96.9Very high95.8Very high18 Ų1822 Ų229%0.08911%0.111CC..EExtended strand (participates in β ladder)trans-116.1169.6-167.9-56.3173.4-62.100111.2Y194 A195 K197 L220 T230 K231 V232 F244Y194-M246 WeakPolarHBondContact CB-O 3.42Å; A195-M246 PolarHBondContact N-O 2.61Å; A195-M246 PolarHBondContact O-N 2.91Å; K197-M246 HydrophobicContact CB-CE 3.58Å; L220-M246 HydrophobicContact CD1-SD 4.04Å; L220-M246 HydrophobicContact CD2-CG 4.36Å; L220-M246 HydrophobicContact CD2-SD 3.93Å; T230-M246 HydrophobicContact CG2-CB 3.93Å; T230-M246 HydrophobicContact CG2-CG 4.45Å; T230-M246 HydrophobicContact CG2-SD 4.38Å; K231-M246 WeakPolarHBondContact O-CA 3.37Å; V232-M246 HydrophobicContact CB-CG 4.45Å; V232-M246 HydrophobicContact CG2-CG 4.23Å; F244-M246 HydrophobicContact CB-CG 4.07Å; F244-M246 HydrophobicContact CB-SD 4.14Å
247E95.2Very high95.8Very high54 Ų5422.3 Ų22.325%0.25211%0.113SC..  trans-58.5139.2169.4-170.6153.5-136.400111.7K231 F233 F249K231-E247 WeakPolarHBondContact CE-OE2 3.41Å; K231-E247 HydrophobicContact CG-CB 4.06Å; K231-E247 WeakPolarHBondContact CG-OE2 3.38Å; K231-E247 IonicContact NZ-OE1 2.68Å; K231-E247 PolarHBondContact NZ-OE1 3.06Å; K231-E247 IonicContact NZ-OE2 2.77Å; K231-E247 PolarHBondContact NZ-OE2 2.81Å; K231-E247 PolarHBondContact O-N 2.76Å; K231-E247 VanDerWaalsContact O-N 3.08Å; F233-E247 HydrophobicContact CE2-CB 4.04Å; E247-F249 HydrophobicContact CB-CE1 4.45Å; E247-F249 HydrophobicContact CB-CE2 4.11Å; E247-F249 HydrophobicContact CB-CZ 3.89Å; E247-F249 HydrophobicContact CG-CD1 4.41Å; E247-F249 HydrophobicContact CG-CE1 3.82Å; E247-F249 HydrophobicContact CG-CE2 4.3Å; E247-F249 HydrophobicContact CG-CZ 3.75Å
248Y97Very high95.7Very high26 Ų2619.9 Ų19.910%0.10210%0.102CC..  trans-97.4124.7176.3170.8-124.8000109.5L174 L184 P250 D453 F457L174-Y248 HydrophobicContact CD1-CD2 3.83Å; L174-Y248 HydrophobicContact CD1-CE2 3.76Å; L174-Y248 HydrophobicContact CD2-CE2 4.17Å; L184-Y248 HydrophobicContact CD1-CD1 3.74Å; L184-Y248 HydrophobicContact CD1-CD2 3.88Å; L184-Y248 HydrophobicContact CD1-CE1 3.82Å; L184-Y248 HydrophobicContact CD1-CE2 3.98Å; L184-Y248 HydrophobicContact CD1-CG 3.76Å; Y248-P250 HydrophobicContact CE1-CB 3.82Å; Y248-P250 WeakPolarHBondContact O-CD 3.29Å; Y248-D453 PolarHBondContact OH-O 3.18Å; Y248-F457 HydrophobicContact CD2-CZ 4.48Å; Y248-F457 AromaticContact CE2-CE2 3.77Å; Y248-F457 HydrophobicContact CE2-CE2 3.77Å; Y248-F457 AromaticContact CE2-CZ 3.63Å; Y248-F457 HydrophobicContact CE2-CZ 3.63Å
249F97.1Very high95.6Very high6 Ų624.7 Ų24.73%0.02612%0.122CC..  trans-108.495-179.2-64.5-66.6000110.2T230 E247 G251 G252 L299 L300 D301 H307 F457T230-F249 HydrophobicContact CG2-CE2 3.86Å; T230-F249 WeakPolarHBondContact OG1-CE2 3.33Å; E247-F249 HydrophobicContact CB-CE1 4.45Å; E247-F249 HydrophobicContact CB-CE2 4.11Å; E247-F249 HydrophobicContact CB-CZ 3.89Å; E247-F249 HydrophobicContact CG-CD1 4.41Å; E247-F249 HydrophobicContact CG-CE1 3.82Å; E247-F249 HydrophobicContact CG-CE2 4.3Å; E247-F249 HydrophobicContact CG-CZ 3.75Å; F249-G251 PolarHBondContact O-N 3.26Å; F249-G251 VanDerWaalsContact O-N 3.16Å; F249-G252 PolarHBondContact O-N 2.93Å; F249-L299 HydrophobicContact CB-CB 3.75Å; F249-L299 HydrophobicContact CB-CD1 4.11Å; F249-L299 HydrophobicContact CD2-CB 3.96Å; F249-L299 HydrophobicContact CD2-CD1 3.91Å; F249-L299 HydrophobicContact CG-CB 4.02Å; F249-L299 HydrophobicContact CG-CD1 4.47Å; F249-L300 CarbonylContact C-O 3.53Å; F249-L300 WeakPolarHBondContact CB-O 3.4Å; F249-D301 HydrophobicContact CD1-CB 3.84Å; F249-D301 HydrophobicContact CE1-CB 4.3Å; F249-H307 HydrophobicContact CE1-CB 4.02Å; F249-H307 AromaticContact CE1-CD2 3.4Å; F249-H307 VanDerWaalsContact CE1-CD2 3.4Å; F249-H307 WeakPolarHBondContact CE1-CD2 3.46Å; F249-H307 AromaticContact CE1-CE1 3.78Å; F249-H307 AromaticContact CE1-CG 3.42Å; F249-H307 VanDerWaalsContact CE1-CG 3.42Å; F249-H307 AromaticContact CE1-ND1 3.64Å; F249-H307 AromaticContact CE1-NE2 3.63Å; F249-H307 HydrophobicContact CE2-CB 4.1Å; F249-H307 HydrophobicContact CZ-CB 3.74Å; F249-H307 AromaticContact CZ-CD2 3.46Å; F249-H307 VanDerWaalsContact CZ-CD2 3.46Å; F249-H307 WeakPolarHBondContact CZ-CD2 3.26Å; F249-H307 AromaticContact CZ-CG 3.55Å; F249-F457 VanDerWaalsContact O-CZ 3.31Å; F249-F457 WeakPolarHBondContact O-CZ 3.47Å
250P96.7Very high95.4Very high14 Ų1430 Ų309%0.09113%0.132CC..THydrogen-bonded Turntrans-70.7-9.7-173.529.3-36.7000113.8Y248 G252 A302 V448 N456Y248-P250 HydrophobicContact CE1-CB 3.82Å; Y248-P250 WeakPolarHBondContact O-CD 3.29Å; P250-G252 PolarHBondContact O-N 3.25Å; P250-A302 HydrophobicContact CG-CB 3.93Å; P250-V448 HydrophobicContact CB-CG1 3.76Å; P250-V448 HydrophobicContact CB-CG2 3.93Å; P250-V448 HydrophobicContact CG-CG1 4.06Å; P250-V448 HydrophobicContact CG-CG2 4.08Å; P250-N456 PolarHBondContact O-ND2 2.99Å
251G97Very high95.4Very high0 Ų031.8 Ų31.80%014%0.139CC..THydrogen-bonded Turntrans-74.1-10.3178.200000114.1F249 H257 L300 N456F249-G251 PolarHBondContact O-N 3.26Å; F249-G251 VanDerWaalsContact O-N 3.16Å; G251-H257 PolarHBondContact O-NE2 3.23Å; G251-L300 WeakPolarHBondContact CA-O 3.48Å; G251-L300 PolarHBondContact N-O 3.33Å; G251-N456 WeakPolarHBondContact O-CB 3.46Å
252G96Very high95.2Very high0 Ų039.3 Ų39.30%017%0.172CC..  trans71.8-175.8-176.900000112.7F249 P250 L299 L300F249-G252 PolarHBondContact O-N 2.93Å; P250-G252 PolarHBondContact O-N 3.25Å; G252-L299 CarbonylContact O-C 3.49Å; G252-L299 WeakPolarHBondContact O-CA 3.43Å; G252-L300 PolarHBondContact O-N 3.29Å
253D96.3Very high95.2Very high33 Ų3344.4 Ų44.418%0.17619%0.192CC..BIsolated β-bridgetrans-85.7159.8-178.261.181.1000113.6M255 Y256 H257 D296 I298 L299D253-M255 PolarHBondContact O-N 3.42Å; D253-M255 VanDerWaalsContact OD1-CA 3.29Å; D253-M255 WeakPolarHBondContact OD1-CA 3.42Å; D253-M255 WeakPolarHBondContact OD1-CB 3.42Å; D253-M255 PolarHBondContact OD1-N 3.15Å; D253-Y256 PolarHBondContact O-N 3.11Å; D253-Y256 PolarHBondContact OD1-N 3.44Å; D253-H257 PolarHBondContact O-CD2 2.99Å; D253-H257 PolarHBondContact O-N 2.54Å; D253-D296 WeakPolarHBondContact CB-O 2.97Å; D253-I298 CarbonylContact C-O 3.57Å; D253-I298 VanDerWaalsContact CA-O 3.28Å; D253-I298 WeakPolarHBondContact CA-O 3.34Å; D253-L299 HydrophobicContact CB-CD2 3.54Å
254L96.3Very high95.2Very high0 Ų044.5 Ų44.50%019%0.192CC..Hα-helixtrans-65.8-26.5177.4-79.8-173.9000112.9H257 I258 F264 Y272 I276 L295 I298 L300L254-H257 PolarHBondContact O-N 2.75Å; L254-I258 PolarHBondContact O-N 2.88Å; L254-F264 HydrophobicContact CD2-CE2 4.18Å; L254-F264 HydrophobicContact CD2-CZ 4.25Å; L254-Y272 HydrophobicContact CD1-CD1 4.5Å; L254-Y272 HydrophobicContact CD1-CG 4.23Å; L254-Y272 HydrophobicContact CD2-CD1 4.3Å; L254-Y272 HydrophobicContact CD2-CD2 4.18Å; L254-Y272 HydrophobicContact CD2-CE1 4.25Å; L254-Y272 HydrophobicContact CD2-CE2 4.13Å; L254-Y272 HydrophobicContact CD2-CG 4.28Å; L254-I276 HydrophobicContact CD1-CD1 4.23Å; L254-L295 HydrophobicContact CB-CB 4.48Å; L254-L295 HydrophobicContact CB-CD2 4.07Å; L254-L295 PolarHBondContact N-O 3.01Å; L254-I298 HydrophobicContact CB-CB 4.26Å; L254-I298 HydrophobicContact CD1-CB 3.76Å; L254-I298 HydrophobicContact CD1-CG1 4.27Å; L254-I298 HydrophobicContact CD1-CG2 3.52Å; L254-I298 HydrophobicContact CG-CB 3.95Å; L254-I298 HydrophobicContact CG-CG2 3.89Å; L254-I298 PolarHBondContact N-O 2.82Å; L254-L300 HydrophobicContact CD2-CD1 4.02Å; L254-L300 HydrophobicContact CD2-CD2 3.76Å; L254-L300 HydrophobicContact CD2-CG 4.02Å; L254-L300 HydrophobicContact CG-CD2 4.29Å
255M94.9Very high95.2Very high36 Ų3648.1 Ų48.118%0.17721%0.214CC..Hα-helixtrans-62.7-46177.1178.163.983.700110.3D253 H257 I258 Q259 L295D253-M255 PolarHBondContact O-N 3.42Å; D253-M255 VanDerWaalsContact OD1-CA 3.29Å; D253-M255 WeakPolarHBondContact OD1-CA 3.42Å; D253-M255 WeakPolarHBondContact OD1-CB 3.42Å; D253-M255 PolarHBondContact OD1-N 3.15Å; M255-H257 VanDerWaalsContact C-N 3.31Å; M255-H257 PolarHBondContact O-N 3.41Å; M255-I258 VanDerWaalsContact O-CG2 3.28Å; M255-I258 WeakPolarHBondContact O-CG2 3.32Å; M255-I258 PolarHBondContact O-N 3.32Å; M255-I258 HydrophobicContact SD-CG2 4.06Å; M255-Q259 HydrophobicContact CG-CG 4.42Å; M255-Q259 WeakPolarHBondContact O-CB 3.36Å; M255-Q259 VanDerWaalsContact O-CG 3.25Å; M255-Q259 WeakPolarHBondContact O-CG 3.12Å; M255-Q259 PolarHBondContact O-N 3.03Å; M255-Q259 HydrophobicContact SD-CG 4.08Å; M255-L295 HydrophobicContact CB-CB 3.82Å; M255-L295 HydrophobicContact CE-CB 4.07Å; M255-L295 HydrophobicContact CE-CD1 4.06Å; M255-L295 HydrophobicContact SD-CD1 4.2Å
256Y93.4Very high95.2Very high45 Ų4550.3 Ų50.318%0.17623%0.225CC..Hα-helixtrans-55.2-46.1174.4176.3-94.1000111.9D253 R260 S455 N456D253-Y256 PolarHBondContact O-N 3.11Å; D253-Y256 PolarHBondContact OD1-N 3.44Å; Y256-R260 WeakPolarHBondContact O-CG 3.32Å; Y256-R260 PolarHBondContact O-N 2.88Å; Y256-R260 PolarHBondContact OH-NH1 2.85Å; Y256-S455 PolarHBondContact OH-O 2.91Å; Y256-N456 HydrophobicContact CE1-CB 4.31Å
257H95Very high95.3Very high14 Ų1453.4 Ų53.47%0.06525%0.246CC..Hα-helixtrans-70.1-39.1-179.1-72.8-68.2000113.1G251 D253 L254 M255 K261 F264 F444G251-H257 PolarHBondContact O-NE2 3.23Å; D253-H257 PolarHBondContact O-CD2 2.99Å; D253-H257 PolarHBondContact O-N 2.54Å; L254-H257 PolarHBondContact O-N 2.75Å; M255-H257 VanDerWaalsContact C-N 3.31Å; M255-H257 PolarHBondContact O-N 3.41Å; H257-K261 PolarHBondContact O-N 2.71Å; H257-F264 HydrophobicContact CB-CE1 4.3Å; H257-F264 HydrophobicContact CB-CZ 4.07Å; H257-F444 HydrophobicContact CB-CZ 3.93Å; H257-F444 AromaticContact CE1-CE2 3.78Å; H257-F444 AromaticContact CG-CE2 3.84Å; H257-F444 AromaticContact CG-CZ 3.66Å; H257-F444 AromaticContact ND1-CE2 3.49Å; H257-F444 WeakPolarHBondContact ND1-CE2 3.39Å; H257-F444 AromaticContact ND1-CZ 3.78Å
258I93.4Very high95.4Very high10 Ų1051.8 Ų51.85%0.05124%0.24CC..Hα-helixtrans-69.2-39.6179.3-158.3174.6000111.1L254 M255 R260 K261 K262 F264 L295 E360L254-I258 PolarHBondContact O-N 2.88Å; M255-I258 VanDerWaalsContact O-CG2 3.28Å; M255-I258 WeakPolarHBondContact O-CG2 3.32Å; M255-I258 PolarHBondContact O-N 3.32Å; M255-I258 HydrophobicContact SD-CG2 4.06Å; I258-R260 VanDerWaalsContact C-N 3.26Å; I258-R260 PolarHBondContact O-N 3.32Å; I258-K261 CarbonylContact O-C 3.58Å; I258-K261 PolarHBondContact O-N 3.38Å; I258-K261 VanDerWaalsContact O-N 3.09Å; I258-K262 CarbonylContact O-C 3.58Å; I258-K262 VanDerWaalsContact O-CA 3.26Å; I258-K262 WeakPolarHBondContact O-CA 3.21Å; I258-K262 PolarHBondContact O-N 3.15Å; I258-F264 HydrophobicContact CB-CE1 4.17Å; I258-F264 HydrophobicContact CB-CE2 4.43Å; I258-F264 HydrophobicContact CB-CZ 3.96Å; I258-F264 HydrophobicContact CG1-CE1 4.32Å; I258-F264 HydrophobicContact CG1-CZ 4.37Å; I258-L295 HydrophobicContact CD1-CD1 4.27Å; I258-L295 HydrophobicContact CG2-CD1 3.89Å; I258-E360 VanDerWaalsContact CD1-O 3.23Å; I258-E360 WeakPolarHBondContact CD1-O 3.43Å
259Q91.6Very high95.5Very high125 Ų12550.6 Ų50.658%0.58424%0.235SC*.Hα-helixtrans-58.7-39.9179.4-75.1175.30.400111.6M255M255-Q259 HydrophobicContact CG-CG 4.42Å; M255-Q259 WeakPolarHBondContact O-CB 3.36Å; M255-Q259 VanDerWaalsContact O-CG 3.25Å; M255-Q259 WeakPolarHBondContact O-CG 3.12Å; M255-Q259 PolarHBondContact O-N 3.03Å; M255-Q259 HydrophobicContact SD-CG 4.08Å
260R90.9Very high95.5Very high180 Ų18051.4 Ų51.468%0.67924%0.238SC*.Hα-helixtrans-71.2-36176.6-65.1178.169.2113.47.7113.1Y256 I258Y256-R260 WeakPolarHBondContact O-CG 3.32Å; Y256-R260 PolarHBondContact O-N 2.88Å; Y256-R260 PolarHBondContact OH-NH1 2.85Å; I258-R260 VanDerWaalsContact C-N 3.26Å; I258-R260 PolarHBondContact O-N 3.32Å
261K92Very high95.6Very high93 Ų9352 Ų5240%0.40424%0.239SC..Hα-helixtrans-89-8.9-179.7-67.6-174.7-174.6168.90113.6H257 I258 R263 F264 F444H257-K261 PolarHBondContact O-N 2.71Å; I258-K261 CarbonylContact O-C 3.58Å; I258-K261 PolarHBondContact O-N 3.38Å; I258-K261 VanDerWaalsContact O-N 3.09Å; K261-R263 PolarHBondContact O-N 3.18Å; K261-F264 HydrophobicContact CB-CD1 4.37Å; K261-F264 HydrophobicContact CB-CE1 4.4Å; K261-F264 HydrophobicContact CD-CD1 3.98Å; K261-F264 HydrophobicContact CD-CE1 3.89Å; K261-F444 VanDerWaalsContact NZ-CG 3.29Å
262K92.4Very high95.7Very high171 Ų17152 Ų5274%0.74324%0.239SC*.SBendtrans63.4-41.5-168-54.2-174.2176.6-1740114.8I258 G364I258-K262 CarbonylContact O-C 3.58Å; I258-K262 VanDerWaalsContact O-CA 3.26Å; I258-K262 WeakPolarHBondContact O-CA 3.21Å; I258-K262 PolarHBondContact O-N 3.15Å; K262-G364 WeakPolarHBondContact O-CA 3.48Å
263R94.8Very high95.8Very high107 Ų10752 Ų5240%0.40424%0.239SC..SBendtrans-157.3160172.862.3-178.4-177.779.81.4109.7K261K261-R263 PolarHBondContact O-N 3.18Å
264F97.2Very high95.9Very high3 Ų350.5 Ų50.51%0.01323%0.232CC..  trans-87.5157.1171.4-64.5-26.9000111.8L254 H257 I258 K261 T268 A269 Y272 M361L254-F264 HydrophobicContact CD2-CE2 4.18Å; L254-F264 HydrophobicContact CD2-CZ 4.25Å; H257-F264 HydrophobicContact CB-CE1 4.3Å; H257-F264 HydrophobicContact CB-CZ 4.07Å; I258-F264 HydrophobicContact CB-CE1 4.17Å; I258-F264 HydrophobicContact CB-CE2 4.43Å; I258-F264 HydrophobicContact CB-CZ 3.96Å; I258-F264 HydrophobicContact CG1-CE1 4.32Å; I258-F264 HydrophobicContact CG1-CZ 4.37Å; K261-F264 HydrophobicContact CB-CD1 4.37Å; K261-F264 HydrophobicContact CB-CE1 4.4Å; K261-F264 HydrophobicContact CD-CD1 3.98Å; K261-F264 HydrophobicContact CD-CE1 3.89Å; F264-T268 HydrophobicContact CB-CG2 3.84Å; F264-T268 HydrophobicContact CD1-CG2 4.13Å; F264-T268 HydrophobicContact CD2-CG2 4.15Å; F264-T268 HydrophobicContact CG-CG2 3.78Å; F264-A269 HydrophobicContact CB-CB 4.33Å; F264-Y272 HydrophobicContact CD2-CD2 4.23Å; F264-Y272 HydrophobicContact CE2-CD2 4.07Å; F264-Y272 HydrophobicContact CE2-CE2 4.28Å; F264-M361 WeakPolarHBondContact CA-O 3.14Å; F264-M361 WeakPolarHBondContact CB-O 3.39Å; F264-M361 HydrophobicContact CD2-CB 4Å; F264-M361 HydrophobicContact CD2-CG 3.78Å; F264-M361 HydrophobicContact CD2-SD 3.9Å; F264-M361 HydrophobicContact CE2-CG 4.11Å; F264-M361 HydrophobicContact CE2-SD 4.13Å; F264-M361 PolarHBondContact N-O 2.79Å
265T97.3Very high96Very high76 Ų7650.6 Ų50.647%0.46623%0.232SC..  trans-71.9155.8166.671.60000109.2T268 A269T265-T268 WeakPolarHBondContact O-CB 3.49Å; T265-T268 PolarHBondContact O-N 2.9Å; T265-T268 PolarHBondContact OG1-N 3.09Å; T265-T268 PolarHBondContact OG1-OG1 3.47Å; T265-A269 PolarHBondContact O-N 3.48Å
266E98Very high96.2Very high46 Ų4649 Ų4922%0.21522%0.224CC..Hα-helixtrans-57-42.2179.2-168.6-175.1109.900113.3T268 A269 R270 L362 S392 F426E266-T268 VanDerWaalsContact C-N 3.35Å; E266-T268 PolarHBondContact O-N 2.87Å; E266-A269 PolarHBondContact O-N 3.26Å; E266-R270 VanDerWaalsContact O-CB 3.26Å; E266-R270 WeakPolarHBondContact O-CB 3.45Å; E266-R270 PolarHBondContact O-N 3.32Å; E266-R270 IonicContact OE1-CZ 3.25Å; E266-R270 IonicContact OE1-NH2 3.79Å; E266-R270 PolarHBondContact OE1-NH2 3.31Å; E266-L362 HydrophobicContact CB-CD2 4.1Å; E266-L362 HydrophobicContact CG-CD2 4Å; E266-S392 PolarHBondContact OE1-OG 3.4Å; E266-S392 WeakPolarHBondContact OE2-CB 3.41Å; E266-S392 PolarHBondContact OE2-OG 2.69Å; E266-F426 HydrophobicContact CG-CE2 3.76Å; E266-F426 HydrophobicContact CG-CZ 4.49Å
267P98Very high96.5Very high83 Ų8346.8 Ų46.854%0.53922%0.215SC..Hα-helixtrans-58.6-41.4172-25.635.9000114.1F271P267-F271 PolarHBondContact O-N 3.49Å
268T97.9Very high96.6Very high20 Ų2046.4 Ų46.412%0.12321%0.214CC..Hα-helixtrans-65.7-47.6177.1-56.60000111.6F264 T265 E266 R270 F271 Y272 P443F264-T268 HydrophobicContact CB-CG2 3.84Å; F264-T268 HydrophobicContact CD1-CG2 4.13Å; F264-T268 HydrophobicContact CD2-CG2 4.15Å; F264-T268 HydrophobicContact CG-CG2 3.78Å; T265-T268 WeakPolarHBondContact O-CB 3.49Å; T265-T268 PolarHBondContact O-N 2.9Å; T265-T268 PolarHBondContact OG1-N 3.09Å; T265-T268 PolarHBondContact OG1-OG1 3.47Å; E266-T268 VanDerWaalsContact C-N 3.35Å; E266-T268 PolarHBondContact O-N 2.87Å; T268-R270 VanDerWaalsContact C-N 3.33Å; T268-R270 PolarHBondContact O-N 3.37Å; T268-F271 WeakPolarHBondContact O-CB 3.29Å; T268-F271 PolarHBondContact O-N 3.04Å; T268-Y272 HydrophobicContact CG2-CD2 4Å; T268-Y272 HydrophobicContact CG2-CE2 3.64Å; T268-Y272 WeakPolarHBondContact O-CD2 3.47Å; T268-Y272 PolarHBondContact O-N 3.02Å; T268-P443 HydrophobicContact CG2-CB 4.14Å; T268-P443 HydrophobicContact CG2-CG 3.77Å
269A98.4Very high96.8Very high0 Ų045.9 Ų45.90%021%0.211CC..Hα-helixtrans-62.4-41.417800000111.4F264 T265 E266 F271 Y272 A273 L358 M361 L362F264-A269 HydrophobicContact CB-CB 4.33Å; T265-A269 PolarHBondContact O-N 3.48Å; E266-A269 PolarHBondContact O-N 3.26Å; A269-F271 VanDerWaalsContact C-N 3.34Å; A269-F271 PolarHBondContact O-N 2.82Å; A269-Y272 PolarHBondContact O-N 3.42Å; A269-A273 WeakPolarHBondContact O-CB 3.35Å; A269-A273 PolarHBondContact O-N 2.94Å; A269-L358 HydrophobicContact CB-CD1 4.31Å; A269-M361 HydrophobicContact CB-CB 3.85Å; A269-M361 HydrophobicContact CB-CE 4.37Å; A269-L362 HydrophobicContact CB-CD2 3.58Å; A269-L362 HydrophobicContact CB-CG 3.96Å
270R98.6Very high97.2Very high24 Ų2440 Ų409%0.09118%0.184CC..Hα-helixtrans-59.8-42.8174.6-178.2-171.7-65.2104.85.3112E266 T268 S274 F426 F427 T429 V430E266-R270 VanDerWaalsContact O-CB 3.26Å; E266-R270 WeakPolarHBondContact O-CB 3.45Å; E266-R270 PolarHBondContact O-N 3.32Å; E266-R270 IonicContact OE1-CZ 3.25Å; E266-R270 IonicContact OE1-NH2 3.79Å; E266-R270 PolarHBondContact OE1-NH2 3.31Å; T268-R270 VanDerWaalsContact C-N 3.33Å; T268-R270 PolarHBondContact O-N 3.37Å; R270-S274 WeakPolarHBondContact O-CB 3.43Å; R270-S274 PolarHBondContact O-N 2.95Å; R270-S274 PolarHBondContact O-OG 2.69Å; R270-F426 HydrophobicContact CB-CE1 3.99Å; R270-F426 HydrophobicContact CB-CZ 3.85Å; R270-F426 HydrophobicContact CG-CE1 4.1Å; R270-F426 HydrophobicContact CG-CZ 4.39Å; R270-F426 PolarHBondContact NE-O 2.86Å; R270-F426 PolarHBondContact NH2-O 2.83Å; R270-F427 HydrophobicContact CG-CD1 4.19Å; R270-T429 WeakPolarHBondContact CD-OG1 3.39Å; R270-V430 HydrophobicContact CG-CG2 3.85Å
271F98.5Very high97.5Very high25 Ų2533 Ų3311%0.1116%0.159CC..Hα-helixtrans-57.7-57.3177.6176.4-87.3000110.9P267 T268 A269 A273 S274 E275 H305 P442 P443P267-F271 PolarHBondContact O-N 3.49Å; T268-F271 WeakPolarHBondContact O-CB 3.29Å; T268-F271 PolarHBondContact O-N 3.04Å; A269-F271 VanDerWaalsContact C-N 3.34Å; A269-F271 PolarHBondContact O-N 2.82Å; F271-A273 PolarHBondContact O-N 3.35Å; F271-S274 WeakPolarHBondContact O-CB 3.45Å; F271-S274 PolarHBondContact O-N 3.13Å; F271-E275 VanDerWaalsContact CE1-CD 3.46Å; F271-E275 HydrophobicContact CE1-CG 4.29Å; F271-E275 VanDerWaalsContact CE1-OE2 3.29Å; F271-E275 WeakPolarHBondContact CE1-OE2 3.11Å; F271-E275 HydrophobicContact CZ-CG 4.39Å; F271-E275 WeakPolarHBondContact CZ-OE1 3.22Å; F271-E275 PolarHBondContact O-N 2.93Å; F271-H305 AromaticContact CZ-ND1 3.93Å; F271-P442 HydrophobicContact CE1-CB 4.14Å; F271-P442 HydrophobicContact CE1-CG 4.44Å; F271-P442 VanDerWaalsContact CZ-CA 3.48Å; F271-P442 HydrophobicContact CZ-CB 3.93Å; F271-P442 HydrophobicContact CZ-CG 3.88Å; F271-P443 HydrophobicContact CB-CG 4.26Å; F271-P443 HydrophobicContact CD1-CG 3.97Å; F271-P443 HydrophobicContact CG-CG 4.15Å
272Y98.6Very high97.7Very high0 Ų029.8 Ų29.80%015%0.145CC..Hα-helixtrans-64.9-39.6-178.8-67.3-55.2000112.7L254 F264 T268 A269 S274 E275 I276 L300 G304 A306 P443 F444L254-Y272 HydrophobicContact CD1-CD1 4.5Å; L254-Y272 HydrophobicContact CD1-CG 4.23Å; L254-Y272 HydrophobicContact CD2-CD1 4.3Å; L254-Y272 HydrophobicContact CD2-CD2 4.18Å; L254-Y272 HydrophobicContact CD2-CE1 4.25Å; L254-Y272 HydrophobicContact CD2-CE2 4.13Å; L254-Y272 HydrophobicContact CD2-CG 4.28Å; F264-Y272 HydrophobicContact CD2-CD2 4.23Å; F264-Y272 HydrophobicContact CE2-CD2 4.07Å; F264-Y272 HydrophobicContact CE2-CE2 4.28Å; T268-Y272 HydrophobicContact CG2-CD2 4Å; T268-Y272 HydrophobicContact CG2-CE2 3.64Å; T268-Y272 WeakPolarHBondContact O-CD2 3.47Å; T268-Y272 PolarHBondContact O-N 3.02Å; A269-Y272 PolarHBondContact O-N 3.42Å; Y272-S274 PolarHBondContact O-N 3.37Å; Y272-E275 PolarHBondContact O-N 3.49Å; Y272-I276 WeakPolarHBondContact O-CB 3.38Å; Y272-I276 WeakPolarHBondContact O-CD1 3.47Å; Y272-I276 VanDerWaalsContact O-CG1 3.22Å; Y272-I276 WeakPolarHBondContact O-CG1 3.44Å; Y272-I276 PolarHBondContact O-N 3.4Å; Y272-L300 HydrophobicContact CD1-CD2 4.31Å; Y272-L300 HydrophobicContact CE1-CD2 3.65Å; Y272-G304 WeakPolarHBondContact CE1-O 3.47Å; Y272-A306 HydrophobicContact CD1-CB 3.91Å; Y272-A306 HydrophobicContact CE1-CB 4.5Å; Y272-P443 HydrophobicContact CE2-CG 3.97Å; Y272-F444 HydrophobicContact CE2-CD1 4.41Å; Y272-F444 AromaticContact CE2-CE1 3.7Å; Y272-F444 HydrophobicContact CE2-CE1 3.7Å; Y272-F444 HydrophobicContact CE2-CZ 4.41Å; Y272-F444 AromaticContact CZ-CE1 3.71Å; Y272-F444 WeakPolarHBondContact OH-CD1 3.04Å; Y272-F444 WeakPolarHBondContact OH-CE1 3.38Å; Y272-F444 VanDerWaalsContact OH-CZ 3.3Å; Y272-F444 WeakPolarHBondContact OH-CZ 3.47Å
273A98.7Very high98Very high0 Ų021.6 Ų21.60%011%0.109CC..Hα-helixtrans-58.4-35173.800000112.1A269 F271 L277 F354 L358 M361 F427A269-A273 WeakPolarHBondContact O-CB 3.35Å; A269-A273 PolarHBondContact O-N 2.94Å; F271-A273 PolarHBondContact O-N 3.35Å; A273-L277 WeakPolarHBondContact O-CB 3.43Å; A273-L277 PolarHBondContact O-N 3.16Å; A273-F354 HydrophobicContact CB-CE2 4.14Å; A273-F354 HydrophobicContact CB-CZ 3.79Å; A273-F354 WeakPolarHBondContact O-CE2 3.47Å; A273-F354 WeakPolarHBondContact O-CZ 3.35Å; A273-L358 HydrophobicContact CB-CD1 4.07Å; A273-M361 HydrophobicContact CB-CE 4.07Å; A273-F427 HydrophobicContact CB-CE1 4Å; A273-F427 HydrophobicContact CB-CZ 4.22Å
274S98.7Very high98Very high3 Ų317.9 Ų17.92%0.02110%0.097CC..Hα-helixtrans-69.3-42.1178.1-540000112R270 F271 Y272 C278 V430R270-S274 WeakPolarHBondContact O-CB 3.43Å; R270-S274 PolarHBondContact O-N 2.95Å; R270-S274 PolarHBondContact O-OG 2.69Å; F271-S274 WeakPolarHBondContact O-CB 3.45Å; F271-S274 PolarHBondContact O-N 3.13Å; Y272-S274 PolarHBondContact O-N 3.37Å; S274-C278 PolarHBondContact O-N 3.33Å; S274-C278 VanDerWaalsContact O-N 3.17Å; S274-C278 PolarHBondContact O-SG 3.18Å; S274-V430 WeakPolarHBondContact OG-CG2 3.37Å
275E98.6Very high97.9Very high1 Ų124.2 Ų24.21%0.00513%0.13CC..Hα-helixtrans-69.5-46.1178.4-63.9-167.514600111.9F228 F271 Y272 L277 C278 G279 H305 A306 V435F228-E275 HydrophobicContact CD1-CB 3.8Å; F228-E275 HydrophobicContact CD1-CG 4.15Å; F228-E275 HydrophobicContact CE1-CB 3.75Å; F228-E275 HydrophobicContact CE1-CG 3.58Å; F228-E275 HydrophobicContact CG-CB 4.39Å; F228-E275 HydrophobicContact CZ-CB 4.27Å; F228-E275 HydrophobicContact CZ-CG 4.01Å; F271-E275 VanDerWaalsContact CE1-CD 3.46Å; F271-E275 HydrophobicContact CE1-CG 4.29Å; F271-E275 VanDerWaalsContact CE1-OE2 3.29Å; F271-E275 WeakPolarHBondContact CE1-OE2 3.11Å; F271-E275 HydrophobicContact CZ-CG 4.39Å; F271-E275 WeakPolarHBondContact CZ-OE1 3.22Å; F271-E275 PolarHBondContact O-N 2.93Å; Y272-E275 PolarHBondContact O-N 3.49Å; E275-L277 VanDerWaalsContact C-N 3.29Å; E275-L277 PolarHBondContact O-N 3.48Å; E275-C278 WeakPolarHBondContact O-CB 3.43Å; E275-C278 PolarHBondContact O-N 3.29Å; E275-G279 PolarHBondContact O-N 3.37Å; E275-G279 VanDerWaalsContact O-N 3.08Å; E275-H305 IonicContact OE1-CE1 3.67Å; E275-H305 IonicContact OE1-CG 2.69Å; E275-H305 IonicContact OE1-ND1 3.65Å; E275-H305 PolarHBondContact OE1-ND1 3.39Å; E275-H305 WeakPolarHBondContact OE2-CA 3.23Å; E275-A306 HydrophobicContact CB-CB 4.27Å; E275-A306 PolarHBondContact OE2-N 2.94Å; E275-V435 HydrophobicContact CG-CG1 4.22Å
276I98.7Very high97.7Very high2 Ų225.2 Ų25.21%0.0113%0.126CC..Hα-helixtrans-57.4-44.9175.5-69.5164.9000110.3L254 Y272 C278 G279 L280 L293 I298 L308 F354 L357L254-I276 HydrophobicContact CD1-CD1 4.23Å; Y272-I276 WeakPolarHBondContact O-CB 3.38Å; Y272-I276 WeakPolarHBondContact O-CD1 3.47Å; Y272-I276 VanDerWaalsContact O-CG1 3.22Å; Y272-I276 WeakPolarHBondContact O-CG1 3.44Å; Y272-I276 PolarHBondContact O-N 3.4Å; I276-C278 VanDerWaalsContact C-N 3.34Å; I276-C278 PolarHBondContact O-N 3.38Å; I276-G279 PolarHBondContact O-N 3.43Å; I276-G279 VanDerWaalsContact O-N 3.15Å; I276-L280 HydrophobicContact CG2-CD1 4.15Å; I276-L280 HydrophobicContact CG2-CG 4.48Å; I276-L280 PolarHBondContact O-N 3.41Å; I276-L293 HydrophobicContact CG2-CD1 4.05Å; I276-L293 HydrophobicContact CG2-CD2 4.33Å; I276-I298 HydrophobicContact CD1-CG1 4.06Å; I276-I298 HydrophobicContact CD1-CG2 4.19Å; I276-I298 HydrophobicContact CG1-CD1 4.4Å; I276-I298 HydrophobicContact CG1-CG1 4.4Å; I276-I298 HydrophobicContact CG1-CG2 4.16Å; I276-L308 HydrophobicContact CG1-CD2 4.38Å; I276-L308 HydrophobicContact CG2-CD2 4.17Å; I276-F354 HydrophobicContact CB-CE2 4.23Å; I276-F354 HydrophobicContact CG2-CD2 3.79Å; I276-F354 HydrophobicContact CG2-CE2 3.88Å; I276-L357 HydrophobicContact CD1-CD1 4.38Å; I276-L357 HydrophobicContact CD1-CD2 3.84Å
277L98.6Very high97.5Very high0 Ų025.1 Ų25.10%013%0.13CC..Hα-helixtrans-62.6-40.2179-178.459.7000112.2A273 E275 G279 L280 E281 F351 F354 I421 R422 W432A273-L277 WeakPolarHBondContact O-CB 3.43Å; A273-L277 PolarHBondContact O-N 3.16Å; E275-L277 VanDerWaalsContact C-N 3.29Å; E275-L277 PolarHBondContact O-N 3.48Å; L277-G279 VanDerWaalsContact C-N 3.3Å; L277-G279 PolarHBondContact O-N 3.05Å; L277-L280 PolarHBondContact O-N 2.85Å; L277-E281 HydrophobicContact CD1-CG 4.03Å; L277-E281 HydrophobicContact CG-CG 4.34Å; L277-E281 WeakPolarHBondContact O-CB 3.49Å; L277-E281 WeakPolarHBondContact O-CG 3.16Å; L277-E281 PolarHBondContact O-N 2.88Å; L277-F351 HydrophobicContact CD1-CE1 4.07Å; L277-F354 HydrophobicContact CB-CE2 4.14Å; L277-F354 HydrophobicContact CB-CZ 4.1Å; L277-I421 HydrophobicContact CD1-CD1 3.87Å; L277-I421 HydrophobicContact CD1-CG2 4.09Å; L277-I421 HydrophobicContact CD2-CB 4.47Å; L277-I421 HydrophobicContact CD2-CD1 4Å; L277-I421 HydrophobicContact CD2-CG1 3.88Å; L277-I421 HydrophobicContact CD2-CG2 3.87Å; L277-R422 HydrophobicContact CD2-CG 4.24Å; L277-W432 HydrophobicContact CD2-CH2 3.75Å; L277-W432 HydrophobicContact CD2-CZ3 4.25Å
278C98.1Very high97.4Very high5 Ų521.5 Ų21.53%0.03411%0.106CC..Hα-helixtrans-61.5-39.6174.5-65.80000111.7F228 S274 E275 I276 F282 H436F228-C278 HydrophobicContact CD2-CB 3.49Å; F228-C278 VanDerWaalsContact CD2-CB 3.49Å; F228-C278 HydrophobicContact CE2-CB 3.58Å; S274-C278 PolarHBondContact O-N 3.33Å; S274-C278 VanDerWaalsContact O-N 3.17Å; S274-C278 PolarHBondContact O-SG 3.18Å; E275-C278 WeakPolarHBondContact O-CB 3.43Å; E275-C278 PolarHBondContact O-N 3.29Å; I276-C278 VanDerWaalsContact C-N 3.34Å; I276-C278 PolarHBondContact O-N 3.38Å; C278-F282 WeakPolarHBondContact O-CB 3.34Å; C278-F282 PolarHBondContact O-N 2.9Å; C278-F282 VanDerWaalsContact O-N 3.11Å; C278-H436 PolarHBondContact SG-CE1 3.42Å
279G98.2Very high97.3Very high0 Ų020.6 Ų20.60%010%0.1CC..Hα-helixtrans-63.1-44.4174.100000112.9E275 I276 L277 L283E275-G279 PolarHBondContact O-N 3.37Å; E275-G279 VanDerWaalsContact O-N 3.08Å; I276-G279 PolarHBondContact O-N 3.43Å; I276-G279 VanDerWaalsContact O-N 3.15Å; L277-G279 VanDerWaalsContact C-N 3.3Å; L277-G279 PolarHBondContact O-N 3.05Å; G279-L283 WeakPolarHBondContact O-CG 3.4Å; G279-L283 PolarHBondContact O-N 3.04Å
280L98.3Very high97.2Very high0 Ų020.6 Ų20.60%010%0.101CC..Hα-helixtrans-65.3-49.2177.8-71.7173.9000112.2I276 L277 F282 L283 H284 Y290 L293 L308 D350 F354I276-L280 HydrophobicContact CG2-CD1 4.15Å; I276-L280 HydrophobicContact CG2-CG 4.48Å; I276-L280 PolarHBondContact O-N 3.41Å; L277-L280 PolarHBondContact O-N 2.85Å; L280-F282 VanDerWaalsContact C-N 3.26Å; L280-F282 PolarHBondContact O-N 3.46Å; L280-L283 WeakPolarHBondContact O-CB 3.34Å; L280-L283 PolarHBondContact O-N 2.92Å; L280-H284 PolarHBondContact O-CD2 3.21Å; L280-H284 VanDerWaalsContact O-CG 3.3Å; L280-H284 PolarHBondContact O-N 3.31Å; L280-Y290 HydrophobicContact CD2-CD1 4.42Å; L280-Y290 HydrophobicContact CD2-CG 4.42Å; L280-L293 HydrophobicContact CD1-CD2 3.85Å; L280-L293 HydrophobicContact CD2-CD1 4.46Å; L280-L308 HydrophobicContact CD2-CD1 4.2Å; L280-L308 HydrophobicContact CG-CD1 4.36Å; L280-D350 HydrophobicContact CD2-CB 4.23Å; L280-F354 HydrophobicContact CD1-CB 4.27Å; L280-F354 HydrophobicContact CD1-CD2 4.07Å; L280-F354 HydrophobicContact CD1-CG 4.45Å
281E97.1Very high97.1Very high35 Ų3520.3 Ų20.316%0.16410%0.1CC..Hα-helixtrans-59.8-39.2178.9-73.8170.3138.900111L277 L283 H284 D285 R422L277-E281 HydrophobicContact CD1-CG 4.03Å; L277-E281 HydrophobicContact CG-CG 4.34Å; L277-E281 WeakPolarHBondContact O-CB 3.49Å; L277-E281 WeakPolarHBondContact O-CG 3.16Å; L277-E281 PolarHBondContact O-N 2.88Å; E281-L283 VanDerWaalsContact C-N 3.29Å; E281-L283 PolarHBondContact O-N 3.3Å; E281-H284 PolarHBondContact O-N 3.49Å; E281-D285 WeakPolarHBondContact O-CB 3.15Å; E281-D285 VanDerWaalsContact O-CG 3.23Å; E281-D285 PolarHBondContact O-N 3.23Å; E281-R422 IonicContact OE1-NE 2.61Å; E281-R422 PolarHBondContact OE1-NE 3.21Å; E281-R422 IonicContact OE2-CZ 3.64Å; E281-R422 IonicContact OE2-NE 3.05Å; E281-R422 PolarHBondContact OE2-NE 3.17Å; E281-R422 IonicContact OE2-NH2 2.85Å; E281-R422 PolarHBondContact OE2-NH2 3.28Å
282F97.6Very high97Very high24 Ų2419.7 Ų19.711%0.10510%0.097CC..Hα-helixtrans-58.7-38.8174.4172.9-83.6000113.2L222 Q225 C226 L229 C278 L280 R286L222-F282 HydrophobicContact CB-CE1 4.03Å; L222-F282 HydrophobicContact CB-CZ 4.24Å; Q225-F282 HydrophobicContact CB-CE2 3.78Å; Q225-F282 HydrophobicContact CB-CZ 3.71Å; C226-F282 HydrophobicContact CB-CB 4.43Å; C226-F282 HydrophobicContact CB-CD1 3.82Å; C226-F282 HydrophobicContact CB-CD2 3.67Å; C226-F282 HydrophobicContact CB-CE1 3.94Å; C226-F282 HydrophobicContact CB-CE2 3.76Å; C226-F282 HydrophobicContact CB-CG 3.7Å; C226-F282 HydrophobicContact CB-CZ 3.92Å; L229-F282 HydrophobicContact CD1-CD1 3.5Å; L229-F282 VanDerWaalsContact CD1-CD1 3.5Å; L229-F282 HydrophobicContact CD1-CE1 3.54Å; L229-F282 HydrophobicContact CG-CD1 4.46Å; C278-F282 WeakPolarHBondContact O-CB 3.34Å; C278-F282 PolarHBondContact O-N 2.9Å; C278-F282 VanDerWaalsContact O-N 3.11Å; L280-F282 VanDerWaalsContact C-N 3.26Å; L280-F282 PolarHBondContact O-N 3.46Å; F282-R286 VanDerWaalsContact CD2-NH1 3.35Å; F282-R286 PolarHBondContact O-NH1 2.97Å
283L97.2Very high96.9Very high0 Ų019.7 Ų19.70%010%0.097CC..Hα-helixtrans-72-44.5176.3-67.7174.6000111V219 L229 G279 L280 E281 D285 R286 S287 I288 Y290 L308 F311V219-L283 HydrophobicContact CG1-CD2 3.86Å; L229-L283 HydrophobicContact CD1-CD2 3.88Å; L229-L283 HydrophobicContact CD1-CG 4.37Å; L229-L283 HydrophobicContact CD2-CD1 4.22Å; L229-L283 HydrophobicContact CD2-CD2 4.49Å; L229-L283 HydrophobicContact CD2-CG 4.32Å; G279-L283 WeakPolarHBondContact O-CG 3.4Å; G279-L283 PolarHBondContact O-N 3.04Å; L280-L283 WeakPolarHBondContact O-CB 3.34Å; L280-L283 PolarHBondContact O-N 2.92Å; E281-L283 VanDerWaalsContact C-N 3.29Å; E281-L283 PolarHBondContact O-N 3.3Å; L283-D285 PolarHBondContact O-N 2.73Å; L283-R286 CarbonylContact O-C 3.54Å; L283-R286 WeakPolarHBondContact O-CA 3.5Å; L283-R286 PolarHBondContact O-N 3.37Å; L283-S287 PolarHBondContact O-N 3.3Å; L283-I288 CarbonylContact C-O 3.6Å; L283-I288 HydrophobicContact CB-CB 4.11Å; L283-I288 HydrophobicContact CB-CG2 4.31Å; L283-I288 HydrophobicContact CD2-CB 4.36Å; L283-I288 HydrophobicContact CD2-CD1 4.17Å; L283-I288 HydrophobicContact CD2-CG2 4.13Å; L283-I288 WeakPolarHBondContact O-CB 3.18Å; L283-I288 PolarHBondContact O-N 3.46Å; L283-Y290 HydrophobicContact CD1-CD2 4.04Å; L283-Y290 HydrophobicContact CD1-CG 4.41Å; L283-L308 HydrophobicContact CD1-CD1 4.26Å; L283-F311 HydrophobicContact CD1-CE1 4.4Å
284H95.9Very high96.8Very high29 Ų2921.4 Ų21.413%0.13411%0.105CC..Hα-helixtrans-63.5-39.9-179.7-66.1178.6000112L280 E281 R286 S287 I288 D350 F351L280-H284 PolarHBondContact O-CD2 3.21Å; L280-H284 VanDerWaalsContact O-CG 3.3Å; L280-H284 PolarHBondContact O-N 3.31Å; E281-H284 PolarHBondContact O-N 3.49Å; H284-R286 PolarHBondContact O-N 2.91Å; H284-S287 PolarHBondContact O-N 2.76Å; H284-I288 PolarHBondContact CD2-O 3.33Å; H284-D350 IonicContact CD2-OD2 2.99Å; H284-D350 IonicContact CE1-OD2 2.71Å; H284-D350 IonicContact NE2-OD2 2.75Å; H284-D350 PolarHBondContact NE2-OD2 3.41Å; H284-F351 AromaticContact CE1-CE2 3.97Å; H284-F351 AromaticContact CE1-CZ 3.75Å; H284-F351 AromaticContact ND1-CE2 3.89Å; H284-F351 AromaticContact ND1-CZ 3.51Å
285D95Very high96.7Very high135 Ų13521.3 Ų21.372%0.72210%0.104SC*.THydrogen-bonded Turntrans-59.2-17.8173.4-76.1-11.8000113E281 L283E281-D285 WeakPolarHBondContact O-CB 3.15Å; E281-D285 VanDerWaalsContact O-CG 3.23Å; E281-D285 PolarHBondContact O-N 3.23Å; L283-D285 PolarHBondContact O-N 2.73Å
286R93.8Very high96.5Very high98 Ų9824.7 Ų24.737%0.3712%0.122SC..THydrogen-bonded Turntrans-10917.5176.1-69.4170175.765.20.5112.6F282 L283 H284 I288F282-R286 VanDerWaalsContact CD2-NH1 3.35Å; F282-R286 PolarHBondContact O-NH1 2.97Å; L283-R286 CarbonylContact O-C 3.54Å; L283-R286 WeakPolarHBondContact O-CA 3.5Å; L283-R286 PolarHBondContact O-N 3.37Å; H284-R286 PolarHBondContact O-N 2.91Å; R286-I288 HydrophobicContact CB-CD1 4.01Å; R286-I288 HydrophobicContact CB-CG1 4.42Å; R286-I288 PolarHBondContact O-N 2.97Å
287S93.4Very high96.4Very high44 Ų4425.2 Ų25.231%0.30813%0.125SC..THydrogen-bonded Turntrans57.333-178.8-54.90000113.4L283 H284 E317 R320L283-S287 PolarHBondContact O-N 3.3Å; H284-S287 PolarHBondContact O-N 2.76Å; S287-E317 PolarHBondContact O-N 3.02Å; S287-R320 PolarHBondContact O-NH2 3.28Å
288I94.9Very high96.4Very high7 Ų725.2 Ų25.24%0.03613%0.125CC..EExtended strand (participates in β ladder)trans-105120.7176-62.2159.9000109.1V219 L222 L283 H284 R286 C314 K315 T316V219-I288 HydrophobicContact CG2-CD1 4.19Å; V219-I288 HydrophobicContact CG2-CG2 4.18Å; L222-I288 HydrophobicContact CD1-CD1 3.59Å; L283-I288 CarbonylContact C-O 3.6Å; L283-I288 HydrophobicContact CB-CB 4.11Å; L283-I288 HydrophobicContact CB-CG2 4.31Å; L283-I288 HydrophobicContact CD2-CB 4.36Å; L283-I288 HydrophobicContact CD2-CD1 4.17Å; L283-I288 HydrophobicContact CD2-CG2 4.13Å; L283-I288 WeakPolarHBondContact O-CB 3.18Å; L283-I288 PolarHBondContact O-N 3.46Å; H284-I288 PolarHBondContact CD2-O 3.33Å; R286-I288 HydrophobicContact CB-CD1 4.01Å; R286-I288 HydrophobicContact CB-CG1 4.42Å; R286-I288 PolarHBondContact O-N 2.97Å; I288-C314 HydrophobicContact CG2-CB 3.99Å; I288-K315 WeakPolarHBondContact CA-O 3.39Å; I288-T316 HydrophobicContact CG1-CG2 4.18Å
289I96.2Very high96.4Very high0 Ų026.6 Ų26.60%013%0.132CC..EExtended strand (participates in β ladder)trans-89.9134.7168.3-41.7-179.8000108.2R291 C314 K315 R320 A325 E347 V349 D350I289-R291 HydrophobicContact CB-CG 3.88Å; I289-R291 HydrophobicContact CG2-CG 3.4Å; I289-C314 CarbonylContact O-C 3.44Å; I289-C314 WeakPolarHBondContact O-CA 3.1Å; I289-K315 HydrophobicContact CB-CB 4.42Å; I289-K315 PolarHBondContact N-O 2.88Å; I289-K315 PolarHBondContact O-N 3.08Å; I289-R320 VanDerWaalsContact CG1-CZ 3.44Å; I289-A325 HydrophobicContact CD1-CB 4.26Å; I289-E347 HydrophobicContact CG1-CB 4.41Å; I289-V349 HydrophobicContact CG2-CG2 3.74Å; I289-D350 VanDerWaalsContact CG2-OD2 3.31Å; I289-D350 WeakPolarHBondContact CG2-OD2 3.41Å
290Y97.4Very high96.4Very high1 Ų126.6 Ų26.60%0.00413%0.132CC..  trans-80.9-47.9-177.6-176.4-112.4000113.1L280 L283 D292 L293 N297 T309 F311 M313 D350L280-Y290 HydrophobicContact CD2-CD1 4.42Å; L280-Y290 HydrophobicContact CD2-CG 4.42Å; L283-Y290 HydrophobicContact CD1-CD2 4.04Å; L283-Y290 HydrophobicContact CD1-CG 4.41Å; Y290-D292 VanDerWaalsContact CE1-O 3.27Å; Y290-D292 WeakPolarHBondContact CE1-O 3.42Å; Y290-D292 PolarHBondContact O-N 3.47Å; Y290-D292 VanDerWaalsContact O-N 3.12Å; Y290-L293 HydrophobicContact CD1-CB 3.87Å; Y290-L293 HydrophobicContact CD1-CD1 4.09Å; Y290-L293 HydrophobicContact CE1-CB 4.01Å; Y290-L293 HydrophobicContact CE1-CD1 3.91Å; Y290-N297 WeakPolarHBondContact OH-CB 3.34Å; Y290-T309 WeakPolarHBondContact CE2-O 3.3Å; Y290-T309 PolarHBondContact OH-O 3.19Å; Y290-F311 AromaticContact CD2-CD1 3.87Å; Y290-F311 HydrophobicContact CD2-CD1 3.87Å; Y290-F311 HydrophobicContact CD2-CE1 4.18Å; Y290-F311 AromaticContact CE2-CD1 3.58Å; Y290-F311 HydrophobicContact CE2-CD1 3.58Å; Y290-F311 AromaticContact CE2-CE1 3.8Å; Y290-F311 HydrophobicContact CE2-CE1 3.8Å; Y290-M313 CarbonylContact O-C 3.53Å; Y290-D350 PolarHBondContact N-OD1 2.91Å; Y290-D350 PolarHBondContact N-OD2 2.73Å
291R96Very high96.3Very high18 Ų1827.1 Ų27.17%0.06814%0.135CC..  trans65.2-3.1171.5-52.2-169.5-61.4168.12.4118.4I289 M313 C329 Y345 V349 D350I289-R291 HydrophobicContact CB-CG 3.88Å; I289-R291 HydrophobicContact CG2-CG 3.4Å; R291-M313 PolarHBondContact NE-O 2.91Å; R291-M313 PolarHBondContact NH2-O 3.29Å; R291-C329 PolarHBondContact NH1-SG 3.27Å; R291-Y345 WeakPolarHBondContact CD-OH 3.43Å; R291-Y345 HydrophobicContact CG-CE2 4.41Å; R291-Y345 PolarHBondContact NH1-OH 3.27Å; R291-V349 HydrophobicContact CG-CG2 4.4Å; R291-D350 PolarHBondContact N-OD1 3.22Å
292D95.5Very high96.2Very high11 Ų1126.8 Ų26.86%0.05914%0.137CC..  trans-134.947.5173.4-160.940.4000112.1Y290 K294 N297 M313 T331Y290-D292 VanDerWaalsContact CE1-O 3.27Å; Y290-D292 WeakPolarHBondContact CE1-O 3.42Å; Y290-D292 PolarHBondContact O-N 3.47Å; Y290-D292 VanDerWaalsContact O-N 3.12Å; D292-K294 PolarHBondContact O-N 3.44Å; D292-K294 IonicContact OD1-NZ 3.72Å; D292-K294 PolarHBondContact OD1-NZ 3.24Å; D292-K294 VanDerWaalsContact OD2-CE 3.26Å; D292-K294 WeakPolarHBondContact OD2-CE 3.31Å; D292-K294 IonicContact OD2-NZ 3.39Å; D292-K294 PolarHBondContact OD2-NZ 3.35Å; D292-N297 PolarHBondContact O-ND2 3.31Å; D292-N297 PolarHBondContact OD2-ND2 3.45Å; D292-M313 HydrophobicContact CB-CB 3.83Å; D292-M313 HydrophobicContact CB-CG 3.87Å; D292-T331 PolarHBondContact OD1-N 3.27Å; D292-T331 PolarHBondContact OD1-OG1 2.75Å
293L98.1Very high96.2Very high0 Ų030.1 Ų30.10%015%0.153CC..  trans-74.6114.8175-165.572.9000111I276 L280 Y290 I298 L308 Y334 F354 L357I276-L293 HydrophobicContact CG2-CD1 4.05Å; I276-L293 HydrophobicContact CG2-CD2 4.33Å; L280-L293 HydrophobicContact CD1-CD2 3.85Å; L280-L293 HydrophobicContact CD2-CD1 4.46Å; Y290-L293 HydrophobicContact CD1-CB 3.87Å; Y290-L293 HydrophobicContact CD1-CD1 4.09Å; Y290-L293 HydrophobicContact CE1-CB 4.01Å; Y290-L293 HydrophobicContact CE1-CD1 3.91Å; L293-I298 HydrophobicContact CD1-CD1 3.86Å; L293-L308 HydrophobicContact CD1-CD2 4.04Å; L293-Y334 WeakPolarHBondContact O-CD1 3.29Å; L293-Y334 VanDerWaalsContact O-CG 3.26Å; L293-F354 HydrophobicContact CD2-CB 3.81Å; L293-F354 HydrophobicContact CD2-CD2 4.29Å; L293-L357 HydrophobicContact CD1-CD1 4.23Å; L293-L357 HydrophobicContact CD2-CD1 4.23Å; L293-L357 HydrophobicContact CG-CD1 3.8Å
294K96.4Very high96.2Very high36 Ų3630.1 Ų30.116%0.15715%0.153CC..  trans-152.7163.9175.759.7-177.9163-148.50110.2D292 D296 N297 I298 T331 Y334D292-K294 PolarHBondContact O-N 3.44Å; D292-K294 IonicContact OD1-NZ 3.72Å; D292-K294 PolarHBondContact OD1-NZ 3.24Å; D292-K294 VanDerWaalsContact OD2-CE 3.26Å; D292-K294 WeakPolarHBondContact OD2-CE 3.31Å; D292-K294 IonicContact OD2-NZ 3.39Å; D292-K294 PolarHBondContact OD2-NZ 3.35Å; K294-D296 VanDerWaalsContact C-N 3.27Å; K294-D296 HydrophobicContact CD-CB 4.22Å; K294-D296 HydrophobicContact CG-CB 4.27Å; K294-D296 PolarHBondContact O-N 3.19Å; K294-N297 VanDerWaalsContact CE-ND2 3.27Å; K294-N297 WeakPolarHBondContact CE-ND2 3.2Å; K294-N297 WeakPolarHBondContact CE-OD1 3.03Å; K294-N297 HydrophobicContact CG-CB 4.03Å; K294-N297 PolarHBondContact O-N 2.91Å; K294-N297 VanDerWaalsContact O-N 3.16Å; K294-I298 WeakPolarHBondContact O-CG1 2.88Å; K294-T331 HydrophobicContact CD-CG2 4.35Å; K294-T331 WeakPolarHBondContact CD-OG1 3.27Å; K294-T331 PolarHBondContact NZ-OG1 2.99Å; K294-Y334 HydrophobicContact CB-CD1 4.41Å; K294-Y334 HydrophobicContact CB-CD2 3.79Å; K294-Y334 HydrophobicContact CB-CE1 4.1Å; K294-Y334 HydrophobicContact CB-CE2 3.38Å; K294-Y334 HydrophobicContact CB-CG 4.26Å
295L96.6Very high96.3Very high2 Ų229.2 Ų29.21%0.0115%0.149CC..G310 helixtrans-60.7-34.8-177.9-69.2170.6000113.2L254 M255 I258 N297 I298 Y334 L357 E360 M361L254-L295 HydrophobicContact CB-CB 4.48Å; L254-L295 HydrophobicContact CB-CD2 4.07Å; L254-L295 PolarHBondContact N-O 3.01Å; M255-L295 HydrophobicContact CB-CB 3.82Å; M255-L295 HydrophobicContact CE-CB 4.07Å; M255-L295 HydrophobicContact CE-CD1 4.06Å; M255-L295 HydrophobicContact SD-CD1 4.2Å; I258-L295 HydrophobicContact CD1-CD1 4.27Å; I258-L295 HydrophobicContact CG2-CD1 3.89Å; L295-N297 PolarHBondContact O-N 3.16Å; L295-I298 PolarHBondContact O-N 3.33Å; L295-Y334 PolarHBondContact N-OH 3.42Å; L295-L357 HydrophobicContact CD2-CD1 4.42Å; L295-L357 HydrophobicContact CD2-CD2 3.87Å; L295-L357 HydrophobicContact CD2-CG 3.8Å; L295-L357 HydrophobicContact CG-CG 4.21Å; L295-E360 HydrophobicContact CD1-CB 4.12Å; L295-E360 VanDerWaalsContact CD1-OE2 3.26Å; L295-E360 WeakPolarHBondContact CD1-OE2 3.3Å; L295-M361 HydrophobicContact CD2-CG 4.02Å
296D94.6Very high96.4Very high72 Ų7222.9 Ų22.939%0.38512%0.116SC..G310 helixtrans-64.9-28.1179-49.1-101.7000112.8D253 K294 I298D253-D296 WeakPolarHBondContact CB-O 2.97Å; K294-D296 VanDerWaalsContact C-N 3.27Å; K294-D296 HydrophobicContact CD-CB 4.22Å; K294-D296 HydrophobicContact CG-CB 4.27Å; K294-D296 PolarHBondContact O-N 3.19Å; D296-I298 VanDerWaalsContact C-N 3.3Å
297N96.5Very high96.7Very high12 Ų1218.4 Ų18.46%0.06410%0.099CC..G310 helixtrans-88.42.7-178.8-74.50.4000113Y290 D292 K294 L295 T309Y290-N297 WeakPolarHBondContact OH-CB 3.34Å; D292-N297 PolarHBondContact O-ND2 3.31Å; D292-N297 PolarHBondContact OD2-ND2 3.45Å; K294-N297 VanDerWaalsContact CE-ND2 3.27Å; K294-N297 WeakPolarHBondContact CE-ND2 3.2Å; K294-N297 WeakPolarHBondContact CE-OD1 3.03Å; K294-N297 HydrophobicContact CG-CB 4.03Å; K294-N297 PolarHBondContact O-N 2.91Å; K294-N297 VanDerWaalsContact O-N 3.16Å; L295-N297 PolarHBondContact O-N 3.16Å; N297-T309 PolarHBondContact O-N 2.98Å; N297-T309 PolarHBondContact O-OG1 3.17Å
298I98.2Very high96.9Very high0 Ų016.4 Ų16.40%09%0.085CC..EExtended strand (participates in β ladder)trans-107.4105.4176.2-44.8-46.6000109.7D253 L254 I276 L293 K294 L295 D296 A306 H307 L308 L357D253-I298 CarbonylContact C-O 3.57Å; D253-I298 VanDerWaalsContact CA-O 3.28Å; D253-I298 WeakPolarHBondContact CA-O 3.34Å; L254-I298 HydrophobicContact CB-CB 4.26Å; L254-I298 HydrophobicContact CD1-CB 3.76Å; L254-I298 HydrophobicContact CD1-CG1 4.27Å; L254-I298 HydrophobicContact CD1-CG2 3.52Å; L254-I298 HydrophobicContact CG-CB 3.95Å; L254-I298 HydrophobicContact CG-CG2 3.89Å; L254-I298 PolarHBondContact N-O 2.82Å; I276-I298 HydrophobicContact CD1-CG1 4.06Å; I276-I298 HydrophobicContact CD1-CG2 4.19Å; I276-I298 HydrophobicContact CG1-CD1 4.4Å; I276-I298 HydrophobicContact CG1-CG1 4.4Å; I276-I298 HydrophobicContact CG1-CG2 4.16Å; L293-I298 HydrophobicContact CD1-CD1 3.86Å; K294-I298 WeakPolarHBondContact O-CG1 2.88Å; L295-I298 PolarHBondContact O-N 3.33Å; D296-I298 VanDerWaalsContact C-N 3.3Å; I298-A306 HydrophobicContact CG2-CB 3.61Å; I298-H307 WeakPolarHBondContact CA-O 3.4Å; I298-L308 HydrophobicContact CD1-CD2 3.28Å; I298-L357 HydrophobicContact CG1-CD1 4.15Å
299L97.9Very high97Very high35 Ų3516.9 Ų16.918%0.1839%0.088CC..EExtended strand (participates in β ladder)trans-93.6149.3178.3-62.3-171.2000111.8F249 G252 D253 A306 H307 T309F249-L299 HydrophobicContact CB-CB 3.75Å; F249-L299 HydrophobicContact CB-CD1 4.11Å; F249-L299 HydrophobicContact CD2-CB 3.96Å; F249-L299 HydrophobicContact CD2-CD1 3.91Å; F249-L299 HydrophobicContact CG-CB 4.02Å; F249-L299 HydrophobicContact CG-CD1 4.47Å; G252-L299 CarbonylContact O-C 3.49Å; G252-L299 WeakPolarHBondContact O-CA 3.43Å; D253-L299 HydrophobicContact CB-CD2 3.54Å; L299-A306 CarbonylContact O-C 3.55Å; L299-A306 WeakPolarHBondContact O-CA 3.25Å; L299-H307 PolarHBondContact N-O 3Å; L299-H307 PolarHBondContact O-N 2.78Å; L299-T309 HydrophobicContact CB-CG2 3.79Å; L299-T309 HydrophobicContact CD1-CG2 3.73Å; L299-T309 HydrophobicContact CG-CG2 3.48Å; L299-T309 VanDerWaalsContact CG-CG2 3.48Å
300L97.9Very high96.9Very high0 Ų019.8 Ų19.80%010%0.104CC..EExtended strand (participates in β ladder)trans-101.8133174-61.1-170.7000111.1F249 G251 G252 L254 Y272 H305 A306 F444 P446F249-L300 CarbonylContact C-O 3.53Å; F249-L300 WeakPolarHBondContact CB-O 3.4Å; G251-L300 WeakPolarHBondContact CA-O 3.48Å; G251-L300 PolarHBondContact N-O 3.33Å; G252-L300 PolarHBondContact O-N 3.29Å; L254-L300 HydrophobicContact CD2-CD1 4.02Å; L254-L300 HydrophobicContact CD2-CD2 3.76Å; L254-L300 HydrophobicContact CD2-CG 4.02Å; L254-L300 HydrophobicContact CG-CD2 4.29Å; Y272-L300 HydrophobicContact CD1-CD2 4.31Å; Y272-L300 HydrophobicContact CE1-CD2 3.65Å; L300-H305 WeakPolarHBondContact CA-O 3.28Å; L300-A306 HydrophobicContact CD2-CB 4.16Å; L300-F444 HydrophobicContact CD1-CE2 3.78Å; L300-F444 HydrophobicContact CD1-CZ 3.64Å; L300-P446 HydrophobicContact CB-CG 4.14Å; L300-P446 HydrophobicContact CD1-CG 4.13Å
301D96.4Very high96.7Very high11 Ų1119.7 Ų19.76%0.05910%0.103CC..  trans-73.6-178.3168.77011.8000112.6F249 E303 G304 H305 H307 R438F249-D301 HydrophobicContact CD1-CB 3.84Å; F249-D301 HydrophobicContact CE1-CB 4.3Å; D301-E303 PolarHBondContact O-N 3.45Å; D301-E303 WeakPolarHBondContact OD1-CA 3.26Å; D301-E303 WeakPolarHBondContact OD1-CB 3.45Å; D301-E303 PolarHBondContact OD1-N 2.79Å; D301-G304 PolarHBondContact O-N 2.78Å; D301-G304 PolarHBondContact OD1-N 3.12Å; D301-H305 PolarHBondContact N-O 3.07Å; D301-H305 VanDerWaalsContact N-O 3.08Å; D301-H305 PolarHBondContact OD1-N 2.77Å; D301-H307 IonicContact OD2-CE1 3.17Å; D301-H307 PolarHBondContact OD2-CE1 2.81Å; D301-H307 VanDerWaalsContact OD2-CE1 3.29Å; D301-R438 IonicContact OD2-CZ 3.22Å; D301-R438 VanDerWaalsContact OD2-CZ 3.22Å; D301-R438 IonicContact OD2-NH1 3.23Å; D301-R438 PolarHBondContact OD2-NH1 2.79Å; D301-R438 IonicContact OD2-NH2 2.62Å; D301-R438 PolarHBondContact OD2-NH2 3.4Å
302A95.9Very high96.5Very high27 Ų2719.5 Ų19.522%0.22311%0.107CC..SBendtrans-65.9-22.2-179.200000112.9P250 K445P250-A302 HydrophobicContact CG-CB 3.93Å; A302-K445 WeakPolarHBondContact O-CE 3.2Å; A302-K445 VanDerWaalsContact O-CG 3.32Å; A302-K445 WeakPolarHBondContact O-CG 3.26Å
303E96.1Very high96.2Very high94 Ų9421.7 Ų21.744%0.43912%0.117SC..SBendtrans-87.4-21.7177.8-68.767.2-13300112.3D301 P442D301-E303 PolarHBondContact O-N 3.45Å; D301-E303 WeakPolarHBondContact OD1-CA 3.26Å; D301-E303 WeakPolarHBondContact OD1-CB 3.45Å; D301-E303 PolarHBondContact OD1-N 2.79Å; E303-P442 WeakPolarHBondContact O-CG 3.47Å
304G97.3Very high96Very high0 Ų021.7 Ų21.70%012%0.118CC..  trans102.714.3179.100000114.8Y272 D301Y272-G304 WeakPolarHBondContact CE1-O 3.47Å; D301-G304 PolarHBondContact O-N 2.78Å; D301-G304 PolarHBondContact OD1-N 3.12Å
305H98.2Very high95.6Very high11 Ų1121.8 Ų21.85%0.05112%0.118CC..  trans-82.5143174.3-66.8-88.2000111.6F271 E275 L300 D301 H307 R438 T440 P442F271-H305 AromaticContact CZ-ND1 3.93Å; E275-H305 IonicContact OE1-CE1 3.67Å; E275-H305 IonicContact OE1-CG 2.69Å; E275-H305 IonicContact OE1-ND1 3.65Å; E275-H305 PolarHBondContact OE1-ND1 3.39Å; E275-H305 WeakPolarHBondContact OE2-CA 3.23Å; L300-H305 WeakPolarHBondContact CA-O 3.28Å; D301-H305 PolarHBondContact N-O 3.07Å; D301-H305 VanDerWaalsContact N-O 3.08Å; D301-H305 PolarHBondContact OD1-N 2.77Å; H305-H307 PolarHBondContact O-ND1 2.92Å; H305-H307 VanDerWaalsContact O-ND1 3.1Å; H305-R438 PolarHBondContact CD2-NH2 2.92Å; H305-T440 PolarHBondContact CE1-O 3.45Å; H305-T440 VanDerWaalsContact CE1-O 3.25Å; H305-P442 WeakPolarHBondContact NE2-CG 3.5Å
306A98.4Very high95Very high2 Ų222 Ų222%0.01712%0.12CC..EExtended strand (participates in β ladder)trans-81.5139.4-178.900000112.9Y272 E275 I298 L299 L300Y272-A306 HydrophobicContact CD1-CB 3.91Å; Y272-A306 HydrophobicContact CE1-CB 4.5Å; E275-A306 HydrophobicContact CB-CB 4.27Å; E275-A306 PolarHBondContact OE2-N 2.94Å; I298-A306 HydrophobicContact CG2-CB 3.61Å; L299-A306 CarbonylContact O-C 3.55Å; L299-A306 WeakPolarHBondContact O-CA 3.25Å; L300-A306 HydrophobicContact CD2-CB 4.16Å
307H98.3Very high94.1Very high3 Ų325 Ų251%0.01413%0.131CC..EExtended strand (participates in β ladder)trans-130.5128.7175.7-62.668.3000109.5P227 F228 F249 I298 L299 D301 H305 T309 R438P227-H307 PolarHBondContact O-CD2 2.85Å; P227-H307 VanDerWaalsContact O-CD2 3.29Å; P227-H307 PolarHBondContact O-NE2 2.87Å; F228-H307 CarbonylContact O-C 3.56Å; F228-H307 WeakPolarHBondContact O-CA 2.93Å; F249-H307 HydrophobicContact CE1-CB 4.02Å; F249-H307 AromaticContact CE1-CD2 3.4Å; F249-H307 VanDerWaalsContact CE1-CD2 3.4Å; F249-H307 WeakPolarHBondContact CE1-CD2 3.46Å; F249-H307 AromaticContact CE1-CE1 3.78Å; F249-H307 AromaticContact CE1-CG 3.42Å; F249-H307 VanDerWaalsContact CE1-CG 3.42Å; F249-H307 AromaticContact CE1-ND1 3.64Å; F249-H307 AromaticContact CE1-NE2 3.63Å; F249-H307 HydrophobicContact CE2-CB 4.1Å; F249-H307 HydrophobicContact CZ-CB 3.74Å; F249-H307 AromaticContact CZ-CD2 3.46Å; F249-H307 VanDerWaalsContact CZ-CD2 3.46Å; F249-H307 WeakPolarHBondContact CZ-CD2 3.26Å; F249-H307 AromaticContact CZ-CG 3.55Å; I298-H307 WeakPolarHBondContact CA-O 3.4Å; L299-H307 PolarHBondContact N-O 3Å; L299-H307 PolarHBondContact O-N 2.78Å; D301-H307 IonicContact OD2-CE1 3.17Å; D301-H307 PolarHBondContact OD2-CE1 2.81Å; D301-H307 VanDerWaalsContact OD2-CE1 3.29Å; H305-H307 PolarHBondContact O-ND1 2.92Å; H305-H307 VanDerWaalsContact O-ND1 3.1Å; H307-T309 WeakPolarHBondContact O-CG2 3.37Å; H307-R438 PolarHBondContact NE2-NH1 2.89Å
308L98.5Very high92.4Very high2 Ų230.9 Ų30.91%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-68.2136.7168.3-53-172.8000109F228 L229 T230 I276 L280 L283 L293 I298 F311F228-L308 PolarHBondContact O-N 2.8Å; L229-L308 HydrophobicContact CD2-CB 3.77Å; L229-L308 HydrophobicContact CD2-CD1 3.78Å; L229-L308 HydrophobicContact CD2-CG 4.02Å; T230-L308 PolarHBondContact N-O 3.29Å; T230-L308 PolarHBondContact OG1-O 3.42Å; I276-L308 HydrophobicContact CG1-CD2 4.38Å; I276-L308 HydrophobicContact CG2-CD2 4.17Å; L280-L308 HydrophobicContact CD2-CD1 4.2Å; L280-L308 HydrophobicContact CG-CD1 4.36Å; L283-L308 HydrophobicContact CD1-CD1 4.26Å; L293-L308 HydrophobicContact CD1-CD2 4.04Å; I298-L308 HydrophobicContact CD1-CD2 3.28Å; L308-F311 HydrophobicContact CB-CE1 4.22Å; L308-F311 HydrophobicContact CB-CZ 4.31Å; L308-F311 WeakPolarHBondContact O-CZ 3.41Å
309T96.7Very high90.6Very high17 Ų1733.5 Ų33.510%0.10417%0.174CC..  trans-129.1-178.3-178.975.30000110.4T230 Y290 N297 L299 H307T230-T309 WeakPolarHBondContact OG1-CG2 3.48Å; Y290-T309 WeakPolarHBondContact CE2-O 3.3Å; Y290-T309 PolarHBondContact OH-O 3.19Å; N297-T309 PolarHBondContact O-N 2.98Å; N297-T309 PolarHBondContact O-OG1 3.17Å; L299-T309 HydrophobicContact CB-CG2 3.79Å; L299-T309 HydrophobicContact CD1-CG2 3.73Å; L299-T309 HydrophobicContact CG-CG2 3.48Å; L299-T309 VanDerWaalsContact CG-CG2 3.48Å; H307-T309 WeakPolarHBondContact O-CG2 3.37Å
310D93.3Very high89.2Confident61 Ų6133.5 Ų33.533%0.32617%0.171SC..  trans47.279.1175-1577.3000116.1K197 G312K197-D310 IonicContact NZ-OD1 3.51Å; K197-D310 PolarHBondContact NZ-OD1 3.36Å; D310-G312 VanDerWaalsContact C-N 3.28Å; D310-G312 PolarHBondContact O-N 3.12Å
311F94.6Very high87.7Confident0 Ų038.8 Ų38.80%020%0.196CC..G310 helixtrans-90.515.8-178.1-53.8-76.3000113.5E216 V219 L220 L229 L283 Y290 L308 M313 C314E216-F311 HydrophobicContact CG-CB 4.17Å; V219-F311 HydrophobicContact CB-CB 3.94Å; V219-F311 HydrophobicContact CB-CG 4.15Å; V219-F311 HydrophobicContact CG1-CB 3.83Å; V219-F311 HydrophobicContact CG1-CD1 3.49Å; V219-F311 VanDerWaalsContact CG1-CD1 3.49Å; V219-F311 HydrophobicContact CG1-CD2 4.18Å; V219-F311 HydrophobicContact CG1-CE1 4.09Å; V219-F311 HydrophobicContact CG1-CG 3.55Å; L220-F311 HydrophobicContact CD2-CD2 3.57Å; L220-F311 HydrophobicContact CD2-CE2 3.68Å; L220-F311 HydrophobicContact CG-CD2 3.79Å; L220-F311 HydrophobicContact CG-CE2 4.34Å; L229-F311 HydrophobicContact CB-CZ 4.18Å; L229-F311 HydrophobicContact CD2-CE1 3.88Å; L229-F311 HydrophobicContact CD2-CZ 3.87Å; L229-F311 HydrophobicContact CG-CZ 4.47Å; L283-F311 HydrophobicContact CD1-CE1 4.4Å; Y290-F311 AromaticContact CD2-CD1 3.87Å; Y290-F311 HydrophobicContact CD2-CD1 3.87Å; Y290-F311 HydrophobicContact CD2-CE1 4.18Å; Y290-F311 AromaticContact CE2-CD1 3.58Å; Y290-F311 HydrophobicContact CE2-CD1 3.58Å; Y290-F311 AromaticContact CE2-CE1 3.8Å; Y290-F311 HydrophobicContact CE2-CE1 3.8Å; L308-F311 HydrophobicContact CB-CE1 4.22Å; L308-F311 HydrophobicContact CB-CZ 4.31Å; L308-F311 WeakPolarHBondContact O-CZ 3.41Å; F311-M313 PolarHBondContact O-N 3.3Å; F311-C314 WeakPolarHBondContact O-CB 3.27Å; F311-C314 PolarHBondContact O-N 2.9Å; F311-C314 VanDerWaalsContact O-N 3.15Å
312G91Very high86.6Confident14 Ų1447.2 Ų47.214%0.14423%0.232CC..G310 helixtrans-58.9-26.3-179.500000113.9D310D310-G312 VanDerWaalsContact C-N 3.28Å; D310-G312 PolarHBondContact O-N 3.12Å
313M89.5Confident85.7Confident56 Ų5647.8 Ų47.828%0.27624%0.241SC..G310 helixtrans-97.60.1-177.4-62.1-66.8-91.100113.3Y290 R291 D292 F311 C329Y290-M313 CarbonylContact O-C 3.53Å; R291-M313 PolarHBondContact NE-O 2.91Å; R291-M313 PolarHBondContact NH2-O 3.29Å; D292-M313 HydrophobicContact CB-CB 3.83Å; D292-M313 HydrophobicContact CB-CG 3.87Å; F311-M313 PolarHBondContact O-N 3.3Å; M313-C329 HydrophobicContact CE-CB 3.56Å
314C93.4Very high85.2Confident1 Ų146.1 Ų46.11%0.00724%0.235CC..  trans-60.6152.1-177.7-78.70000112.8I215 V219 I288 I289 F311I215-C314 HydrophobicContact CG2-CB 3.83Å; V219-C314 HydrophobicContact CG2-CB 4.01Å; I288-C314 HydrophobicContact CG2-CB 3.99Å; I289-C314 CarbonylContact O-C 3.44Å; I289-C314 WeakPolarHBondContact O-CA 3.1Å; F311-C314 WeakPolarHBondContact O-CB 3.27Å; F311-C314 PolarHBondContact O-N 2.9Å; F311-C314 VanDerWaalsContact O-N 3.15Å
315K88.6Confident84.6Confident38 Ų3846.2 Ų46.217%0.16524%0.235CC..EExtended strand (participates in β ladder)trans-128.7117.8172.5-157.674172.21780110.9I288 I289 N319 R320 A325I288-K315 WeakPolarHBondContact CA-O 3.39Å; I289-K315 HydrophobicContact CB-CB 4.42Å; I289-K315 PolarHBondContact N-O 2.88Å; I289-K315 PolarHBondContact O-N 3.08Å; K315-N319 HydrophobicContact CD-CB 3.92Å; K315-N319 WeakPolarHBondContact CE-O 3.26Å; K315-N319 HydrophobicContact CG-CB 4.41Å; K315-N319 PolarHBondContact NZ-O 2.86Å; K315-R320 HydrophobicContact CG-CG 4.34Å; K315-A325 HydrophobicContact CG-CB 4.26Å
316T83.7Confident84Confident7 Ų749.2 Ų49.24%0.04326%0.258CS..EExtended strand (participates in β ladder)trans-88.4158.5175.258.90000111.4I215 I288 M318 N319I215-T316 HydrophobicContact CG2-CG2 4.16Å; I288-T316 HydrophobicContact CG1-CG2 4.18Å; T316-M318 PolarHBondContact O-N 3.29Å; T316-M318 VanDerWaalsContact O-N 3.16Å; T316-N319 PolarHBondContact O-N 3.36Å; T316-N319 PolarHBondContact OG1-ND2 3.19Å
317E75.8Confident83.4Confident133 Ų13352 Ų5262%0.62127%0.274SS*.G310 helixtrans-46.2-44175.1-172.5177-172.900114.1S287 N319 R320S287-E317 PolarHBondContact O-N 3.02Å; E317-N319 PolarHBondContact O-N 2.92Å; E317-R320 PolarHBondContact O-N 2.71Å
318M61Low82.9Confident137 Ų13757.5 Ų57.568%0.67530%0.298SS*.G310 helixtrans-54.2-21.6178.9-71.3175.3-135.300114.3R218 T316R218-M318 PolarHBondContact NH1-SD 2.9Å; T316-M318 PolarHBondContact O-N 3.29Å; T316-M318 VanDerWaalsContact O-N 3.16Å
319N59.3Low82.4Confident54 Ų5458.2 Ų58.229%0.28930%0.304SS..G310 helixtrans-1107.4-173.5-60.5-23.7000112.4I215 K315 T316 E317I215-N319 WeakPolarHBondContact CD1-ND2 3.43Å; K315-N319 HydrophobicContact CD-CB 3.92Å; K315-N319 WeakPolarHBondContact CE-O 3.26Å; K315-N319 HydrophobicContact CG-CB 4.41Å; K315-N319 PolarHBondContact NZ-O 2.86Å; T316-N319 PolarHBondContact O-N 3.36Å; T316-N319 PolarHBondContact OG1-ND2 3.19Å; E317-N319 PolarHBondContact O-N 2.92Å
320R70.1Confident81.9Confident35 Ų3558.6 Ų58.613%0.13231%0.31CS..  trans-95.2135.5-179.5-60.2-166.8-164.6-174.65.5110.5S287 I289 K315 E317 G323 L324 E347S287-R320 PolarHBondContact O-NH2 3.28Å; I289-R320 VanDerWaalsContact CG1-CZ 3.44Å; K315-R320 HydrophobicContact CG-CG 4.34Å; E317-R320 PolarHBondContact O-N 2.71Å; R320-G323 VanDerWaalsContact CD-C 3.5Å; R320-G323 WeakPolarHBondContact CD-O 3.22Å; R320-G323 PolarHBondContact NH1-O 3.09Å; R320-L324 CarbonylContact C-O 3.58Å; R320-L324 VanDerWaalsContact CA-O 3.25Å; R320-L324 WeakPolarHBondContact CA-O 3.26Å; R320-L324 WeakPolarHBondContact CB-O 3.45Å; R320-E347 IonicContact NH1-OE2 3.45Å; R320-E347 PolarHBondContact NH1-OE2 2.96Å
321E66.2Low81.7Confident112 Ų11256.8 Ų56.852%0.52330%0.302SS..BIsolated β-bridgetrans-82.7116.1170.2-169.8-175.2165.400108.4G323 L324E321-G323 PolarHBondContact O-N 2.69Å; E321-L324 PolarHBondContact N-O 2.88Å; E321-L324 PolarHBondContact O-N 3.49Å
322K72.2Confident81.6Confident188 Ų18858 Ų5882%0.81731%0.31SS*.THydrogen-bonded Turntrans53.835-176.7-57.6172.3-177.4169.60113.2L324K322-L324 VanDerWaalsContact C-N 3.28Å; K322-L324 PolarHBondContact O-N 3.5Å
323G78.6Confident81.8Confident39 Ų3960.1 Ų60.140%0.40232%0.318SS..THydrogen-bonded Turntrans79.72.4-178.500000115.1R320 E321R320-G323 VanDerWaalsContact CD-C 3.5Å; R320-G323 WeakPolarHBondContact CD-O 3.22Å; R320-G323 PolarHBondContact NH1-O 3.09Å; E321-G323 PolarHBondContact O-N 2.69Å
324L83.9Confident82.2Confident59 Ų5958 Ų5831%0.30931%0.307SS..BIsolated β-bridgetrans-115153.4177.6-58.9172.5000112.8R320 E321 K322 L344 Y345R320-L324 CarbonylContact C-O 3.58Å; R320-L324 VanDerWaalsContact CA-O 3.25Å; R320-L324 WeakPolarHBondContact CA-O 3.26Å; R320-L324 WeakPolarHBondContact CB-O 3.45Å; E321-L324 PolarHBondContact N-O 2.88Å; E321-L324 PolarHBondContact O-N 3.49Å; K322-L324 VanDerWaalsContact C-N 3.28Å; K322-L324 PolarHBondContact O-N 3.5Å; L324-L344 HydrophobicContact CB-CB 3.87Å; L324-L344 HydrophobicContact CB-CD1 4.48Å; L324-L344 HydrophobicContact CD1-CB 3.71Å; L324-L344 HydrophobicContact CD1-CD1 4.13Å; L324-L344 HydrophobicContact CG-CB 4.41Å; L324-Y345 WeakPolarHBondContact CA-O 3.25Å
325A86.2Confident82.3Confident1 Ų158.1 Ų58.11%0.00831%0.307CS..BIsolated β-bridgetrans-95.7151.317200000110.9I289 K315 L344 Y345I289-A325 HydrophobicContact CD1-CB 4.26Å; K315-A325 HydrophobicContact CG-CB 4.26Å; A325-L344 CarbonylContact O-C 3.51Å; A325-L344 VanDerWaalsContact O-CA 3.3Å; A325-L344 WeakPolarHBondContact O-CA 3.46Å; A325-Y345 HydrophobicContact CB-CD2 3.87Å; A325-Y345 HydrophobicContact CB-CE1 4.14Å; A325-Y345 HydrophobicContact CB-CE2 3.36Å; A325-Y345 HydrophobicContact CB-CG 4.45Å; A325-Y345 PolarHBondContact N-O 3.05Å; A325-Y345 WeakPolarHBondContact O-CD1 3.41Å; A325-Y345 PolarHBondContact O-N 2.83Å
326S85.8Confident82.7Confident75 Ų7556.3 Ų56.352%0.52430%0.3SS..  trans-125.3-15.7-176.358.80000114F328 L344S326-F328 PolarHBondContact O-N 2.8Å; S326-L344 VanDerWaalsContact CB-CD2 3.41Å
327T84.6Confident83.4Confident60 Ų6056 Ų5637%0.36830%0.298SS..  trans-67.8129.1-174.7-42.50000110.9C329 Y345T327-C329 HydrophobicContact CG2-CB 4.26Å; T327-C329 PolarHBondContact O-N 3Å; T327-Y345 VanDerWaalsContact O-CE1 3.29Å; T327-Y345 WeakPolarHBondContact O-CE1 3.42Å; T327-Y345 PolarHBondContact O-OH 2.99Å
328F88.4Confident84.4Confident118 Ų11850 Ų5052%0.51827%0.269SS..  trans-76.3106.4169.2-170.8-80.7000108.7S326 I335 I339 F377S326-F328 PolarHBondContact O-N 2.8Å; F328-I335 HydrophobicContact CD1-CD1 4.49Å; F328-I335 HydrophobicContact CE1-CD1 3.86Å; F328-I335 HydrophobicContact CE2-CD1 4.05Å; F328-I335 HydrophobicContact CZ-CD1 3.61Å; F328-I339 HydrophobicContact CD2-CG2 3.82Å; F328-I339 WeakPolarHBondContact CD2-O 3.46Å; F328-I339 HydrophobicContact CE2-CG2 4.19Å; F328-I339 HydrophobicContact CG-CG2 4.25Å; F328-F377 HydrophobicContact CZ-CE2 4.23Å; F328-F377 HydrophobicContact CZ-CZ 4.09Å
329C86.9Confident86.1Confident18 Ų1843.9 Ų43.912%0.12224%0.239CC..  trans-155.8162-174.168.10000111.3R291 M313 T327R291-C329 PolarHBondContact NH1-SG 3.27Å; M313-C329 HydrophobicContact CE-CB 3.56Å; T327-C329 HydrophobicContact CG2-CB 4.26Å; T327-C329 PolarHBondContact O-N 3Å
330G86.4Confident87.8Confident24 Ų2442.4 Ų42.425%0.24723%0.232CC..SBendtrans116.1169.4179.500000112.2
331T89.8Confident89Confident23 Ų2345.7 Ų45.714%0.14125%0.248CC..  trans-75.1130177.7-590000110.3D292 K294 D333 Y334 I335D292-T331 PolarHBondContact OD1-N 3.27Å; D292-T331 PolarHBondContact OD1-OG1 2.75Å; K294-T331 HydrophobicContact CD-CG2 4.35Å; K294-T331 WeakPolarHBondContact CD-OG1 3.27Å; K294-T331 PolarHBondContact NZ-OG1 2.99Å; T331-D333 VanDerWaalsContact C-N 3.34Å; T331-D333 PolarHBondContact O-N 3.42Å; T331-Y334 HydrophobicContact CG2-CD2 3.93Å; T331-Y334 HydrophobicContact CG2-CE2 4.38Å; T331-Y334 PolarHBondContact O-N 2.98Å; T331-I335 PolarHBondContact O-N 3.35Å
332P93.2Very high90.2Very high27 Ų2743.6 Ų43.618%0.17526%0.256CS..G310 helixtrans-51.1-42.1-171-3236.3000115.9Y334 I335 L376 F377P332-Y334 VanDerWaalsContact C-N 3.25Å; P332-Y334 PolarHBondContact O-N 3.42Å; P332-I335 WeakPolarHBondContact O-CG2 3.38Å; P332-I335 PolarHBondContact O-N 3.49Å; P332-L376 HydrophobicContact CB-CD2 3.92Å; P332-F377 HydrophobicContact CB-CE1 4.23Å
333D93.9Very high91.1Very high58 Ų5840.5 Ų40.531%0.3124%0.243SC..G310 helixtrans-66.6-24.9-179.9-65.6-83.3000113.9T331T331-D333 VanDerWaalsContact C-N 3.34Å; T331-D333 PolarHBondContact O-N 3.42Å
334Y97.7Very high91.7Very high10 Ų1042.4 Ų42.44%0.03924%0.243CC..G310 helixtrans-102.9-1.7-175.7-62.7-93.7000113L293 K294 L295 T331 P332 S353 V356 L357 E360L293-Y334 WeakPolarHBondContact O-CD1 3.29Å; L293-Y334 VanDerWaalsContact O-CG 3.26Å; K294-Y334 HydrophobicContact CB-CD1 4.41Å; K294-Y334 HydrophobicContact CB-CD2 3.79Å; K294-Y334 HydrophobicContact CB-CE1 4.1Å; K294-Y334 HydrophobicContact CB-CE2 3.38Å; K294-Y334 HydrophobicContact CB-CG 4.26Å; L295-Y334 PolarHBondContact N-OH 3.42Å; T331-Y334 HydrophobicContact CG2-CD2 3.93Å; T331-Y334 HydrophobicContact CG2-CE2 4.38Å; T331-Y334 PolarHBondContact O-N 2.98Å; P332-Y334 VanDerWaalsContact C-N 3.25Å; P332-Y334 PolarHBondContact O-N 3.42Å; Y334-S353 PolarHBondContact O-OG 3.47Å; Y334-V356 HydrophobicContact CD1-CB 3.82Å; Y334-V356 HydrophobicContact CD1-CG1 3.49Å; Y334-V356 VanDerWaalsContact CD1-CG1 3.49Å; Y334-V356 HydrophobicContact CE1-CB 4.3Å; Y334-V356 HydrophobicContact CE1-CG1 3.71Å; Y334-V356 HydrophobicContact CG-CG1 4.12Å; Y334-L357 HydrophobicContact CE1-CB 4.11Å; Y334-E360 VanDerWaalsContact CZ-OE2 3.26Å; Y334-E360 PolarHBondContact OH-OE2 3.05Å
335I95.7Very high92.2Very high4 Ų439.9 Ų39.92%0.02123%0.23CC..  trans-70.7137.2-172.6-155.4172000111.3F328 T331 P332 I339 V340 W352 F377 I380F328-I335 HydrophobicContact CD1-CD1 4.49Å; F328-I335 HydrophobicContact CE1-CD1 3.86Å; F328-I335 HydrophobicContact CE2-CD1 4.05Å; F328-I335 HydrophobicContact CZ-CD1 3.61Å; T331-I335 PolarHBondContact O-N 3.35Å; P332-I335 WeakPolarHBondContact O-CG2 3.38Å; P332-I335 PolarHBondContact O-N 3.49Å; I335-I339 HydrophobicContact CD1-CB 4.24Å; I335-I339 HydrophobicContact CD1-CG2 3.67Å; I335-I339 HydrophobicContact CG1-CB 3.91Å; I335-I339 HydrophobicContact CG1-CD1 4.08Å; I335-I339 HydrophobicContact CG1-CG2 3.85Å; I335-V340 HydrophobicContact CG2-CG2 3.59Å; I335-W352 PolarHBondContact O-NE1 3.32Å; I335-F377 HydrophobicContact CG2-CD1 4.24Å; I335-F377 HydrophobicContact CG2-CE1 3.97Å; I335-I380 HydrophobicContact CG2-CD1 3.83Å
336A97.9Very high92.6Very high1 Ų141.3 Ų41.31%0.00824%0.239CC..  trans-78.5149-177.600000112.6E338 I339 V340 V349 W352A336-E338 HydrophobicContact CB-CG 4.3Å; A336-E338 PolarHBondContact O-N 2.92Å; A336-I339 HydrophobicContact CB-CD1 4.31Å; A336-I339 HydrophobicContact CB-CG1 4.34Å; A336-I339 WeakPolarHBondContact O-CB 3.48Å; A336-I339 PolarHBondContact O-N 3.03Å; A336-V340 PolarHBondContact O-N 2.87Å; A336-V340 VanDerWaalsContact O-N 3.15Å; A336-V349 HydrophobicContact CB-CB 3.94Å; A336-V349 HydrophobicContact CB-CG1 3.87Å; A336-W352 HydrophobicContact CB-CB 3.9Å; A336-W352 HydrophobicContact CB-CG 3.86Å
337P98.1Very high93.1Very high0 Ų040.9 Ų40.90%023%0.229CC..Hα-helixtrans-56.6-34.4-178.5-2734000114.1V340 K341 W352 I380 L381 R405P337-V340 PolarHBondContact O-N 3.47Å; P337-K341 WeakPolarHBondContact O-CB 3.43Å; P337-K341 WeakPolarHBondContact O-CD 3.48Å; P337-K341 WeakPolarHBondContact O-CG 3.43Å; P337-K341 PolarHBondContact O-N 3.42Å; P337-W352 VanDerWaalsContact CD-CD2 3.42Å; P337-W352 VanDerWaalsContact CD-CE2 3.48Å; P337-W352 HydrophobicContact CG-CD2 4.17Å; P337-W352 HydrophobicContact CG-CE3 3.87Å; P337-W352 HydrophobicContact CG-CH2 3.35Å; P337-W352 HydrophobicContact CG-CZ2 3.67Å; P337-W352 HydrophobicContact CG-CZ3 3.45Å; P337-W352 VanDerWaalsContact CG-CZ3 3.45Å; P337-I380 HydrophobicContact CB-CG2 4.47Å; P337-I380 HydrophobicContact CG-CG2 4Å; P337-L381 HydrophobicContact CB-CD2 4.13Å; P337-R405 HydrophobicContact CB-CB 4.48Å; P337-R405 HydrophobicContact CB-CG 4.44Å; P337-R405 HydrophobicContact CG-CB 4.31Å; P337-R405 HydrophobicContact CG-CG 3.97Å
338E96.9Very high93.7Very high6 Ų638.1 Ų38.13%0.02821%0.212CC..Hα-helixtrans-67.5-3417758.4-89.3-149.900112.8A336 K341 G342 K343 V349 R410A336-E338 HydrophobicContact CB-CG 4.3Å; A336-E338 PolarHBondContact O-N 2.92Å; E338-K341 PolarHBondContact O-N 2.89Å; E338-G342 PolarHBondContact O-N 3.33Å; E338-K343 HydrophobicContact CB-CB 4.35Å; E338-K343 WeakPolarHBondContact O-CB 3.27Å; E338-K343 PolarHBondContact O-N 3.45Å; E338-V349 HydrophobicContact CG-CG1 4.01Å; E338-V349 WeakPolarHBondContact OE1-CG1 3.12Å; E338-R410 IonicContact OE1-CZ 3.32Å; E338-R410 IonicContact OE1-NH1 3.38Å; E338-R410 PolarHBondContact OE1-NH1 2.9Å; E338-R410 IonicContact OE1-NH2 3.58Å; E338-R410 PolarHBondContact OE1-NH2 3.3Å; E338-R410 IonicContact OE2-CZ 2.83Å; E338-R410 IonicContact OE2-NH1 2.85Å; E338-R410 IonicContact OE2-NH2 3.03Å; E338-R410 PolarHBondContact OE2-NH2 3.28Å
339I95.9Very high94.1Very high9 Ų932.6 Ų32.65%0.04619%0.188CC..Hα-helixtrans-70-44.8174-56176.2000109.3F328 I335 A336 K341 G342 Y345 V349F328-I339 HydrophobicContact CD2-CG2 3.82Å; F328-I339 WeakPolarHBondContact CD2-O 3.46Å; F328-I339 HydrophobicContact CE2-CG2 4.19Å; F328-I339 HydrophobicContact CG-CG2 4.25Å; I335-I339 HydrophobicContact CD1-CB 4.24Å; I335-I339 HydrophobicContact CD1-CG2 3.67Å; I335-I339 HydrophobicContact CG1-CB 3.91Å; I335-I339 HydrophobicContact CG1-CD1 4.08Å; I335-I339 HydrophobicContact CG1-CG2 3.85Å; A336-I339 HydrophobicContact CB-CD1 4.31Å; A336-I339 HydrophobicContact CB-CG1 4.34Å; A336-I339 WeakPolarHBondContact O-CB 3.48Å; A336-I339 PolarHBondContact O-N 3.03Å; I339-K341 PolarHBondContact O-N 3.31Å; I339-G342 WeakPolarHBondContact O-CA 3.43Å; I339-G342 PolarHBondContact O-N 3.33Å; I339-Y345 HydrophobicContact CD1-CE1 4.4Å; I339-Y345 HydrophobicContact CD1-CE2 4.44Å; I339-Y345 HydrophobicContact CG1-CD1 3.77Å; I339-Y345 HydrophobicContact CG1-CD2 4.49Å; I339-Y345 HydrophobicContact CG1-CE1 3.94Å; I339-Y345 HydrophobicContact CG1-CG 4.07Å; I339-V349 HydrophobicContact CD1-CB 4.08Å; I339-V349 HydrophobicContact CD1-CG1 3.82Å; I339-V349 HydrophobicContact CG1-CG1 3.92Å
340V95.1Very high94.7Very high23 Ų2331.7 Ų31.714%0.13918%0.182CC..Hα-helixtrans-57.2-37.8175.4-1790000111.7I335 A336 P337 G342 F377 I380 L381I335-V340 HydrophobicContact CG2-CG2 3.59Å; A336-V340 PolarHBondContact O-N 2.87Å; A336-V340 VanDerWaalsContact O-N 3.15Å; P337-V340 PolarHBondContact O-N 3.47Å; V340-G342 PolarHBondContact O-N 2.96Å; V340-F377 HydrophobicContact CG1-CB 3.77Å; V340-F377 HydrophobicContact CG1-CG 4.08Å; V340-F377 HydrophobicContact CG2-CD1 4.17Å; V340-F377 HydrophobicContact CG2-CG 4.45Å; V340-I380 HydrophobicContact CG2-CG2 4.32Å; V340-L381 HydrophobicContact CB-CD2 4.24Å; V340-L381 HydrophobicContact CG1-CD1 3.77Å; V340-L381 HydrophobicContact CG1-CD2 4.14Å; V340-L381 HydrophobicContact CG1-CG 3.95Å
341K94.8Very high95.2Very high104 Ų10431 Ų3145%0.45217%0.172SC..THydrogen-bonded Turntrans-75.2-3.4176.3-70.3167.9-168.6174.80113.8P337 E338 I339 K343 L381P337-K341 WeakPolarHBondContact O-CB 3.43Å; P337-K341 WeakPolarHBondContact O-CD 3.48Å; P337-K341 WeakPolarHBondContact O-CG 3.43Å; P337-K341 PolarHBondContact O-N 3.42Å; E338-K341 PolarHBondContact O-N 2.89Å; I339-K341 PolarHBondContact O-N 3.31Å; K341-K343 VanDerWaalsContact C-N 3.27Å; K341-K343 HydrophobicContact CB-CD 4.42Å; K341-K343 HydrophobicContact CB-CG 4.02Å; K341-K343 PolarHBondContact O-N 3.43Å; K341-L381 HydrophobicContact CD-CD2 4.22Å; K341-L381 HydrophobicContact CG-CD2 3.85Å
342G91.5Very high95.7Very high68 Ų6829.9 Ų29.970%0.70117%0.166SC*.THydrogen-bonded Turntrans65.627.7-175.600000113.5E338 I339 V340E338-G342 PolarHBondContact O-N 3.33Å; I339-G342 WeakPolarHBondContact O-CA 3.43Å; I339-G342 PolarHBondContact O-N 3.33Å; V340-G342 PolarHBondContact O-N 2.96Å
343K92.8Very high95.9Very high124 Ų12429 Ų2954%0.53916%0.16SC..  trans-84.3155.8176.4-65-174174.6-168.80110.5E338 K341E338-K343 HydrophobicContact CB-CB 4.35Å; E338-K343 WeakPolarHBondContact O-CB 3.27Å; E338-K343 PolarHBondContact O-N 3.45Å; K341-K343 VanDerWaalsContact C-N 3.27Å; K341-K343 HydrophobicContact CB-CD 4.42Å; K341-K343 HydrophobicContact CB-CG 4.02Å; K341-K343 PolarHBondContact O-N 3.43Å
344L91.2Very high96.2Very high78 Ų7826.3 Ų26.341%0.40815%0.145SC..  trans-63.4143.2162.8-60.4-178.2000109.6L324 A325 S326L324-L344 HydrophobicContact CB-CB 3.87Å; L324-L344 HydrophobicContact CB-CD1 4.48Å; L324-L344 HydrophobicContact CD1-CB 3.71Å; L324-L344 HydrophobicContact CD1-CD1 4.13Å; L324-L344 HydrophobicContact CG-CB 4.41Å; A325-L344 CarbonylContact O-C 3.51Å; A325-L344 VanDerWaalsContact O-CA 3.3Å; A325-L344 WeakPolarHBondContact O-CA 3.46Å; S326-L344 VanDerWaalsContact CB-CD2 3.41Å
345Y93.9Very high96.2Very high7 Ų725.8 Ų25.83%0.02714%0.144CC..BIsolated β-bridgetrans-139.6157.5-172.761-95.2000113.1R291 L324 A325 T327 I339 V349R291-Y345 WeakPolarHBondContact CD-OH 3.43Å; R291-Y345 HydrophobicContact CG-CE2 4.41Å; R291-Y345 PolarHBondContact NH1-OH 3.27Å; L324-Y345 WeakPolarHBondContact CA-O 3.25Å; A325-Y345 HydrophobicContact CB-CD2 3.87Å; A325-Y345 HydrophobicContact CB-CE1 4.14Å; A325-Y345 HydrophobicContact CB-CE2 3.36Å; A325-Y345 HydrophobicContact CB-CG 4.45Å; A325-Y345 PolarHBondContact N-O 3.05Å; A325-Y345 WeakPolarHBondContact O-CD1 3.41Å; A325-Y345 PolarHBondContact O-N 2.83Å; T327-Y345 VanDerWaalsContact O-CE1 3.29Å; T327-Y345 WeakPolarHBondContact O-CE1 3.42Å; T327-Y345 PolarHBondContact O-OH 2.99Å; I339-Y345 HydrophobicContact CD1-CE1 4.4Å; I339-Y345 HydrophobicContact CD1-CE2 4.44Å; I339-Y345 HydrophobicContact CG1-CD1 3.77Å; I339-Y345 HydrophobicContact CG1-CD2 4.49Å; I339-Y345 HydrophobicContact CG1-CE1 3.94Å; I339-Y345 HydrophobicContact CG1-CG 4.07Å; Y345-V349 HydrophobicContact CD2-CB 4.39Å; Y345-V349 HydrophobicContact CD2-CG1 3.53Å; Y345-V349 HydrophobicContact CD2-CG2 3.95Å; Y345-V349 HydrophobicContact CE2-CG1 4.38Å; Y345-V349 HydrophobicContact CE2-CG2 4.22Å; Y345-V349 HydrophobicContact CG-CG1 3.78Å
346S94.1Very high96.4Very high30 Ų3025.6 Ų25.621%0.2114%0.143CC..  trans-111.4-168.4177.4680000110.9A348 V349S346-A348 PolarHBondContact O-N 3.5Å; S346-A348 PolarHBondContact OG-N 2.82Å; S346-V349 WeakPolarHBondContact O-CG2 3.31Å; S346-V349 PolarHBondContact O-N 2.75Å
347E95.7Very high96.4Very high67 Ų6725.6 Ų25.631%0.31314%0.142SC..THydrogen-bonded Turntrans-57-12.4171.364.2-76.7168.900114.8I289 R320 V349 D350I289-E347 HydrophobicContact CG1-CB 4.41Å; R320-E347 IonicContact NH1-OE2 3.45Å; R320-E347 PolarHBondContact NH1-OE2 2.96Å; E347-V349 PolarHBondContact O-N 3.31Å; E347-D350 WeakPolarHBondContact O-CB 3.21Å; E347-D350 PolarHBondContact O-N 2.98Å
348A97Very high96.4Very high1 Ų125.6 Ų25.61%0.00814%0.142CC..Hα-helixtrans-53.6-27.1173.400000113.8S346 D350 F351 W352 P407 R410 T413S346-A348 PolarHBondContact O-N 3.5Å; S346-A348 PolarHBondContact OG-N 2.82Å; A348-D350 VanDerWaalsContact C-N 3.3Å; A348-D350 PolarHBondContact O-N 3.27Å; A348-F351 PolarHBondContact O-N 3.3Å; A348-W352 PolarHBondContact O-N 3.08Å; A348-P407 HydrophobicContact CB-CB 3.69Å; A348-R410 PolarHBondContact O-NH1 3.21Å; A348-T413 HydrophobicContact CB-CG2 3.77Å
349V98Very high96.5Very high2 Ų225.4 Ų25.41%0.01214%0.141CC..Hα-helixtrans-64.8-34.3177.2-57.40000112.1I289 R291 A336 E338 I339 Y345 S346 E347 F351 W352 S353I289-V349 HydrophobicContact CG2-CG2 3.74Å; R291-V349 HydrophobicContact CG-CG2 4.4Å; A336-V349 HydrophobicContact CB-CB 3.94Å; A336-V349 HydrophobicContact CB-CG1 3.87Å; E338-V349 HydrophobicContact CG-CG1 4.01Å; E338-V349 WeakPolarHBondContact OE1-CG1 3.12Å; I339-V349 HydrophobicContact CD1-CB 4.08Å; I339-V349 HydrophobicContact CD1-CG1 3.82Å; I339-V349 HydrophobicContact CG1-CG1 3.92Å; Y345-V349 HydrophobicContact CD2-CB 4.39Å; Y345-V349 HydrophobicContact CD2-CG1 3.53Å; Y345-V349 HydrophobicContact CD2-CG2 3.95Å; Y345-V349 HydrophobicContact CE2-CG1 4.38Å; Y345-V349 HydrophobicContact CE2-CG2 4.22Å; Y345-V349 HydrophobicContact CG-CG1 3.78Å; S346-V349 WeakPolarHBondContact O-CG2 3.31Å; S346-V349 PolarHBondContact O-N 2.75Å; E347-V349 PolarHBondContact O-N 3.31Å; V349-F351 VanDerWaalsContact C-N 3.31Å; V349-F351 PolarHBondContact O-N 3.25Å; V349-W352 WeakPolarHBondContact O-CB 3.44Å; V349-W352 PolarHBondContact O-N 3.35Å; V349-S353 PolarHBondContact O-N 3.46Å; V349-S353 PolarHBondContact O-OG 2.98Å
350D98.5Very high96.6Very high0 Ų026 Ų260%014%0.144CC..Hα-helixtrans-68.8-33.7178.9-69-22.8000110.9L280 H284 I289 Y290 R291 E347 A348 S353 F354L280-D350 HydrophobicContact CD2-CB 4.23Å; H284-D350 IonicContact CD2-OD2 2.99Å; H284-D350 IonicContact CE1-OD2 2.71Å; H284-D350 IonicContact NE2-OD2 2.75Å; H284-D350 PolarHBondContact NE2-OD2 3.41Å; I289-D350 VanDerWaalsContact CG2-OD2 3.31Å; I289-D350 WeakPolarHBondContact CG2-OD2 3.41Å; Y290-D350 PolarHBondContact N-OD1 2.91Å; Y290-D350 PolarHBondContact N-OD2 2.73Å; R291-D350 PolarHBondContact N-OD1 3.22Å; E347-D350 WeakPolarHBondContact O-CB 3.21Å; E347-D350 PolarHBondContact O-N 2.98Å; A348-D350 VanDerWaalsContact C-N 3.3Å; A348-D350 PolarHBondContact O-N 3.27Å; D350-S353 PolarHBondContact O-N 3.42Å; D350-F354 VanDerWaalsContact O-CB 3.26Å; D350-F354 WeakPolarHBondContact O-CB 3.42Å; D350-F354 PolarHBondContact O-N 3.05Å
351F98.7Very high96.8Very high9 Ų924.9 Ų24.94%0.03914%0.137CC..Hα-helixtrans-70.2-31.5174.8-63.8-57.3000112.8L277 H284 A348 V349 F354 G355 L402 L411 G412 T413 I421L277-F351 HydrophobicContact CD1-CE1 4.07Å; H284-F351 AromaticContact CE1-CE2 3.97Å; H284-F351 AromaticContact CE1-CZ 3.75Å; H284-F351 AromaticContact ND1-CE2 3.89Å; H284-F351 AromaticContact ND1-CZ 3.51Å; A348-F351 PolarHBondContact O-N 3.3Å; V349-F351 VanDerWaalsContact C-N 3.31Å; V349-F351 PolarHBondContact O-N 3.25Å; F351-F354 PolarHBondContact O-N 3.08Å; F351-G355 PolarHBondContact O-N 3.33Å; F351-L402 HydrophobicContact CB-CD2 4.36Å; F351-L411 WeakPolarHBondContact CB-O 3.15Å; F351-G412 VanDerWaalsContact CE2-C 3.48Å; F351-G412 VanDerWaalsContact CE2-O 3.29Å; F351-G412 WeakPolarHBondContact CE2-O 3.14Å; F351-T413 HydrophobicContact CD2-CG2 4.29Å; F351-I421 HydrophobicContact CD1-CD1 4.18Å; F351-I421 HydrophobicContact CE1-CD1 4.42Å
352W98.7Very high96.9Very high0 Ų020.2 Ų20.20%012%0.117CC..Hα-helixtrans-64.1-52.6170.3174.9-85.4000110.6I335 A336 P337 A348 V349 F354 G355 V356 F368 I380 L403 R405I335-W352 PolarHBondContact O-NE1 3.32Å; A336-W352 HydrophobicContact CB-CB 3.9Å; A336-W352 HydrophobicContact CB-CG 3.86Å; P337-W352 VanDerWaalsContact CD-CD2 3.42Å; P337-W352 VanDerWaalsContact CD-CE2 3.48Å; P337-W352 HydrophobicContact CG-CD2 4.17Å; P337-W352 HydrophobicContact CG-CE3 3.87Å; P337-W352 HydrophobicContact CG-CH2 3.35Å; P337-W352 HydrophobicContact CG-CZ2 3.67Å; P337-W352 HydrophobicContact CG-CZ3 3.45Å; P337-W352 VanDerWaalsContact CG-CZ3 3.45Å; A348-W352 PolarHBondContact O-N 3.08Å; V349-W352 WeakPolarHBondContact O-CB 3.44Å; V349-W352 PolarHBondContact O-N 3.35Å; W352-F354 PolarHBondContact O-N 3.36Å; W352-G355 WeakPolarHBondContact O-CA 3.39Å; W352-G355 PolarHBondContact O-N 3.06Å; W352-V356 PolarHBondContact O-N 3.23Å; W352-F368 AromaticContact CH2-CE2 3.92Å; W352-F368 HydrophobicContact CH2-CE2 3.92Å; W352-F368 AromaticContact CH2-CZ 3.79Å; W352-F368 HydrophobicContact CH2-CZ 3.79Å; W352-F368 HydrophobicContact CZ2-CD2 4.25Å; W352-F368 AromaticContact CZ2-CE2 3.34Å; W352-F368 HydrophobicContact CZ2-CE2 3.34Å; W352-F368 AromaticContact CZ2-CZ 3.72Å; W352-F368 HydrophobicContact CZ2-CZ 3.72Å; W352-I380 HydrophobicContact CZ2-CG2 3.94Å; W352-L403 HydrophobicContact CD2-CD2 4.23Å; W352-L403 HydrophobicContact CE3-CD2 4.35Å; W352-L403 HydrophobicContact CZ2-CD2 4.41Å; W352-L403 VanDerWaalsContact CZ3-C 3.5Å; W352-L403 HydrophobicContact CZ3-CB 4.3Å; W352-L403 VanDerWaalsContact CZ3-O 3.3Å; W352-L403 WeakPolarHBondContact CZ3-O 3.05Å; W352-R405 HydrophobicContact CH2-CG 4.25Å; W352-R405 HydrophobicContact CZ3-CG 4.13Å
353S98.7Very high97.1Very high8 Ų817.5 Ų17.56%0.0569%0.087CC..Hα-helixtrans-60.4-33.9178.3-52.70000111.5Y334 V349 D350 V356 L357Y334-S353 PolarHBondContact O-OG 3.47Å; V349-S353 PolarHBondContact O-N 3.46Å; V349-S353 PolarHBondContact O-OG 2.98Å; D350-S353 PolarHBondContact O-N 3.42Å; S353-V356 PolarHBondContact O-N 2.81Å; S353-L357 WeakPolarHBondContact O-CB 3.19Å; S353-L357 PolarHBondContact O-N 3.16Å
354F98.8Very high97.2Very high1 Ų113.4 Ų13.40%0.0048%0.08CC..Hα-helixtrans-64.2-39.7172.3179.5-100.4000112.2A273 I276 L277 L280 L293 D350 F351 W352 L357 L358 L402 I421 F427A273-F354 HydrophobicContact CB-CE2 4.14Å; A273-F354 HydrophobicContact CB-CZ 3.79Å; A273-F354 WeakPolarHBondContact O-CE2 3.47Å; A273-F354 WeakPolarHBondContact O-CZ 3.35Å; I276-F354 HydrophobicContact CB-CE2 4.23Å; I276-F354 HydrophobicContact CG2-CD2 3.79Å; I276-F354 HydrophobicContact CG2-CE2 3.88Å; L277-F354 HydrophobicContact CB-CE2 4.14Å; L277-F354 HydrophobicContact CB-CZ 4.1Å; L280-F354 HydrophobicContact CD1-CB 4.27Å; L280-F354 HydrophobicContact CD1-CD2 4.07Å; L280-F354 HydrophobicContact CD1-CG 4.45Å; L293-F354 HydrophobicContact CD2-CB 3.81Å; L293-F354 HydrophobicContact CD2-CD2 4.29Å; D350-F354 VanDerWaalsContact O-CB 3.26Å; D350-F354 WeakPolarHBondContact O-CB 3.42Å; D350-F354 PolarHBondContact O-N 3.05Å; F351-F354 PolarHBondContact O-N 3.08Å; W352-F354 PolarHBondContact O-N 3.36Å; F354-L357 PolarHBondContact O-N 3.2Å; F354-L358 VanDerWaalsContact O-CB 3.3Å; F354-L358 WeakPolarHBondContact O-CB 3.27Å; F354-L358 PolarHBondContact O-N 2.93Å; F354-L402 HydrophobicContact CD1-CD1 3.8Å; F354-L402 HydrophobicContact CD1-CD2 3.9Å; F354-L402 HydrophobicContact CE1-CD1 3.99Å; F354-I421 HydrophobicContact CD1-CD1 4.18Å; F354-I421 HydrophobicContact CE1-CD1 3.93Å; F354-F427 HydrophobicContact CE1-CZ 4.24Å; F354-F427 HydrophobicContact CZ-CZ 4.06Å
355G98.8Very high97.3Very high0 Ų014.5 Ų14.50%08%0.083CC..Hα-helixtrans-60.8-44.2171.500000113F351 W352 L358 Y359 L399F351-G355 PolarHBondContact O-N 3.33Å; W352-G355 WeakPolarHBondContact O-CA 3.39Å; W352-G355 PolarHBondContact O-N 3.06Å; G355-L358 PolarHBondContact O-N 2.64Å; G355-Y359 WeakPolarHBondContact O-CB 3.46Å; G355-Y359 PolarHBondContact O-N 2.97Å; G355-L399 WeakPolarHBondContact O-CD2 3.34Å
356V98.7Very high97.3Very high0 Ų014.7 Ų14.70%09%0.085CC..Hα-helixtrans-61.7-49.5175.3175.90000110.5Y334 W352 S353 L358 Y359 E360 P367 L403Y334-V356 HydrophobicContact CD1-CB 3.82Å; Y334-V356 HydrophobicContact CD1-CG1 3.49Å; Y334-V356 VanDerWaalsContact CD1-CG1 3.49Å; Y334-V356 HydrophobicContact CE1-CB 4.3Å; Y334-V356 HydrophobicContact CE1-CG1 3.71Å; Y334-V356 HydrophobicContact CG-CG1 4.12Å; W352-V356 PolarHBondContact O-N 3.23Å; S353-V356 PolarHBondContact O-N 2.81Å; V356-L358 PolarHBondContact O-N 3.33Å; V356-Y359 WeakPolarHBondContact O-CB 3.44Å; V356-Y359 PolarHBondContact O-N 3.31Å; V356-Y359 VanDerWaalsContact O-N 3.15Å; V356-E360 PolarHBondContact O-N 3.38Å; V356-P367 HydrophobicContact CB-CG 4.34Å; V356-P367 HydrophobicContact CG1-CG 4.03Å; V356-P367 HydrophobicContact CG2-CG 4.04Å; V356-L403 HydrophobicContact CG2-CD2 3.9Å
357L98.5Very high97.5Very high0 Ų013.7 Ų13.70%08%0.078CC..Hα-helixtrans-60-44.3178.6-168.3159.1000111.7I276 L293 L295 I298 Y334 S353 F354 Y359 E360 M361I276-L357 HydrophobicContact CD1-CD1 4.38Å; I276-L357 HydrophobicContact CD1-CD2 3.84Å; L293-L357 HydrophobicContact CD1-CD1 4.23Å; L293-L357 HydrophobicContact CD2-CD1 4.23Å; L293-L357 HydrophobicContact CG-CD1 3.8Å; L295-L357 HydrophobicContact CD2-CD1 4.42Å; L295-L357 HydrophobicContact CD2-CD2 3.87Å; L295-L357 HydrophobicContact CD2-CG 3.8Å; L295-L357 HydrophobicContact CG-CG 4.21Å; I298-L357 HydrophobicContact CG1-CD1 4.15Å; Y334-L357 HydrophobicContact CE1-CB 4.11Å; S353-L357 WeakPolarHBondContact O-CB 3.19Å; S353-L357 PolarHBondContact O-N 3.16Å; F354-L357 PolarHBondContact O-N 3.2Å; L357-Y359 VanDerWaalsContact C-N 3.35Å; L357-Y359 PolarHBondContact O-N 3.34Å; L357-E360 PolarHBondContact O-N 3.05Å; L357-M361 HydrophobicContact CD2-CE 3.55Å; L357-M361 HydrophobicContact CD2-CG 4.13Å; L357-M361 HydrophobicContact CD2-SD 3.9Å; L357-M361 WeakPolarHBondContact O-CG 3.11Å; L357-M361 PolarHBondContact O-N 3.39Å
358L98.8Very high97.5Very high0 Ų010.6 Ų10.60%06%0.063CC..Hα-helixtrans-64-39.6176179.457.8000112A269 A273 F354 G355 V356 M361 L362 L399 L402 F426A269-L358 HydrophobicContact CB-CD1 4.31Å; A273-L358 HydrophobicContact CB-CD1 4.07Å; F354-L358 VanDerWaalsContact O-CB 3.3Å; F354-L358 WeakPolarHBondContact O-CB 3.27Å; F354-L358 PolarHBondContact O-N 2.93Å; G355-L358 PolarHBondContact O-N 2.64Å; V356-L358 PolarHBondContact O-N 3.33Å; L358-M361 HydrophobicContact CD1-CE 3.94Å; L358-M361 PolarHBondContact O-N 2.84Å; L358-L362 HydrophobicContact CD1-CD1 3.77Å; L358-L362 HydrophobicContact CD1-CG 4.09Å; L358-L362 HydrophobicContact CG-CD1 3.89Å; L358-L362 WeakPolarHBondContact O-CB 3.48Å; L358-L362 VanDerWaalsContact O-CG 3.31Å; L358-L362 WeakPolarHBondContact O-CG 3.22Å; L358-L362 PolarHBondContact O-N 3.17Å; L358-L362 VanDerWaalsContact O-N 3.08Å; L358-L399 HydrophobicContact CB-CD2 4.02Å; L358-L399 HydrophobicContact CD2-CD2 4.05Å; L358-L399 HydrophobicContact CG-CD2 3.85Å; L358-L402 HydrophobicContact CD2-CD1 4.06Å; L358-F426 HydrophobicContact CD1-CE1 4.1Å; L358-F426 HydrophobicContact CD1-CZ 3.86Å; L358-F426 HydrophobicContact CD2-CE1 4.11Å; L358-F426 HydrophobicContact CD2-CZ 4.38Å
359Y98.7Very high97.3Very high3 Ų315.4 Ų15.41%0.0129%0.086CC..Hα-helixtrans-61-48.6175.5-177.6-80.6000110.4G355 V356 L357 M361 L362 V363 Q365 S366 P367 P385 M386 F387 L399G355-Y359 WeakPolarHBondContact O-CB 3.46Å; G355-Y359 PolarHBondContact O-N 2.97Å; V356-Y359 WeakPolarHBondContact O-CB 3.44Å; V356-Y359 PolarHBondContact O-N 3.31Å; V356-Y359 VanDerWaalsContact O-N 3.15Å; L357-Y359 VanDerWaalsContact C-N 3.35Å; L357-Y359 PolarHBondContact O-N 3.34Å; Y359-M361 VanDerWaalsContact C-N 3.34Å; Y359-M361 PolarHBondContact O-N 2.82Å; Y359-L362 PolarHBondContact O-N 2.95Å; Y359-L362 VanDerWaalsContact O-N 3.13Å; Y359-V363 HydrophobicContact CD1-CB 4Å; Y359-V363 HydrophobicContact CD1-CG2 3.97Å; Y359-V363 HydrophobicContact CD2-CG2 4Å; Y359-V363 HydrophobicContact CE1-CB 3.71Å; Y359-V363 HydrophobicContact CE1-CG1 3.87Å; Y359-V363 HydrophobicContact CE1-CG2 3.79Å; Y359-V363 HydrophobicContact CE2-CG2 3.82Å; Y359-V363 HydrophobicContact CG-CG2 4.08Å; Y359-V363 VanDerWaalsContact O-CB 3.3Å; Y359-V363 WeakPolarHBondContact O-CB 3.33Å; Y359-V363 WeakPolarHBondContact O-CG2 3.33Å; Y359-V363 PolarHBondContact O-N 2.95Å; Y359-Q365 WeakPolarHBondContact CD1-O 3.23Å; Y359-Q365 HydrophobicContact CE1-CG 4.31Å; Y359-Q365 WeakPolarHBondContact CE1-O 3.44Å; Y359-S366 WeakPolarHBondContact CE1-O 3.45Å; Y359-P367 HydrophobicContact CD1-CB 3.81Å; Y359-P367 HydrophobicContact CD1-CG 4.14Å; Y359-P367 HydrophobicContact CD2-CB 4.03Å; Y359-P367 VanDerWaalsContact CE1-CA 3.45Å; Y359-P367 HydrophobicContact CE1-CB 3.9Å; Y359-P367 HydrophobicContact CE2-CB 4.13Å; Y359-P367 HydrophobicContact CG-CB 3.87Å; Y359-P367 HydrophobicContact CG-CG 4.24Å; Y359-P385 HydrophobicContact CD2-CB 4.46Å; Y359-P385 HydrophobicContact CE2-CB 4.03Å; Y359-M386 PolarHBondContact OH-O 2.78Å; Y359-F387 HydrophobicContact CD2-CD1 4.37Å; Y359-F387 HydrophobicContact CD2-CE1 4.06Å; Y359-F387 AromaticContact CE2-CD1 4Å; Y359-F387 HydrophobicContact CE2-CD1 4Å; Y359-F387 AromaticContact CE2-CE1 3.99Å; Y359-F387 HydrophobicContact CE2-CE1 3.99Å; Y359-L399 HydrophobicContact CD2-CD1 4.07Å
360E97.8Very high96.9Very high21 Ų2117 Ų1710%0.09810%0.103CC..Hα-helixtrans-59.5-44.7177.9-72.9-172.9147.500111.7I258 L295 Y334 V356 L357 L362 G364I258-E360 VanDerWaalsContact CD1-O 3.23Å; I258-E360 WeakPolarHBondContact CD1-O 3.43Å; L295-E360 HydrophobicContact CD1-CB 4.12Å; L295-E360 VanDerWaalsContact CD1-OE2 3.26Å; L295-E360 WeakPolarHBondContact CD1-OE2 3.3Å; Y334-E360 VanDerWaalsContact CZ-OE2 3.26Å; Y334-E360 PolarHBondContact OH-OE2 3.05Å; V356-E360 PolarHBondContact O-N 3.38Å; L357-E360 PolarHBondContact O-N 3.05Å; E360-L362 VanDerWaalsContact C-N 3.28Å; E360-L362 PolarHBondContact O-N 3.23Å; E360-G364 WeakPolarHBondContact O-CA 3.44Å; E360-G364 PolarHBondContact O-N 2.97Å
361M98.4Very high96.4Very high0 Ų024.2 Ų24.20%014%0.136CC..Hα-helixtrans-56.9-40.6175.2-73.1-165.7-62.500112.9F264 A269 A273 L295 L357 L358 Y359F264-M361 WeakPolarHBondContact CA-O 3.14Å; F264-M361 WeakPolarHBondContact CB-O 3.39Å; F264-M361 HydrophobicContact CD2-CB 4Å; F264-M361 HydrophobicContact CD2-CG 3.78Å; F264-M361 HydrophobicContact CD2-SD 3.9Å; F264-M361 HydrophobicContact CE2-CG 4.11Å; F264-M361 HydrophobicContact CE2-SD 4.13Å; F264-M361 PolarHBondContact N-O 2.79Å; A269-M361 HydrophobicContact CB-CB 3.85Å; A269-M361 HydrophobicContact CB-CE 4.37Å; A273-M361 HydrophobicContact CB-CE 4.07Å; L295-M361 HydrophobicContact CD2-CG 4.02Å; L357-M361 HydrophobicContact CD2-CE 3.55Å; L357-M361 HydrophobicContact CD2-CG 4.13Å; L357-M361 HydrophobicContact CD2-SD 3.9Å; L357-M361 WeakPolarHBondContact O-CG 3.11Å; L357-M361 PolarHBondContact O-N 3.39Å; L358-M361 HydrophobicContact CD1-CE 3.94Å; L358-M361 PolarHBondContact O-N 2.84Å; Y359-M361 VanDerWaalsContact C-N 3.34Å; Y359-M361 PolarHBondContact O-N 2.82Å
362L98.1Very high96Very high5 Ų528.4 Ų28.43%0.02615%0.154CC..Hα-helixtrans-84.9-35.6-175-70.6169.9000113.7E266 A269 L358 Y359 E360 I391 A395 L399 F426E266-L362 HydrophobicContact CB-CD2 4.1Å; E266-L362 HydrophobicContact CG-CD2 4Å; A269-L362 HydrophobicContact CB-CD2 3.58Å; A269-L362 HydrophobicContact CB-CG 3.96Å; L358-L362 HydrophobicContact CD1-CD1 3.77Å; L358-L362 HydrophobicContact CD1-CG 4.09Å; L358-L362 HydrophobicContact CG-CD1 3.89Å; L358-L362 WeakPolarHBondContact O-CB 3.48Å; L358-L362 VanDerWaalsContact O-CG 3.31Å; L358-L362 WeakPolarHBondContact O-CG 3.22Å; L358-L362 PolarHBondContact O-N 3.17Å; L358-L362 VanDerWaalsContact O-N 3.08Å; Y359-L362 PolarHBondContact O-N 2.95Å; Y359-L362 VanDerWaalsContact O-N 3.13Å; E360-L362 VanDerWaalsContact C-N 3.28Å; E360-L362 PolarHBondContact O-N 3.23Å; L362-I391 HydrophobicContact CB-CD1 3.81Å; L362-A395 HydrophobicContact CD1-CB 4.02Å; L362-L399 HydrophobicContact CD1-CD1 4Å; L362-F426 HydrophobicContact CD1-CE2 4.38Å
363V96.4Very high95.6Very high11 Ų1130.3 Ų30.37%0.06716%0.163CC..Hα-helixtrans-100.8-35.2-171.7-174.60000111.5Y359 Q365 P388 I391Y359-V363 HydrophobicContact CD1-CB 4Å; Y359-V363 HydrophobicContact CD1-CG2 3.97Å; Y359-V363 HydrophobicContact CD2-CG2 4Å; Y359-V363 HydrophobicContact CE1-CB 3.71Å; Y359-V363 HydrophobicContact CE1-CG1 3.87Å; Y359-V363 HydrophobicContact CE1-CG2 3.79Å; Y359-V363 HydrophobicContact CE2-CG2 3.82Å; Y359-V363 HydrophobicContact CG-CG2 4.08Å; Y359-V363 VanDerWaalsContact O-CB 3.3Å; Y359-V363 WeakPolarHBondContact O-CB 3.33Å; Y359-V363 WeakPolarHBondContact O-CG2 3.33Å; Y359-V363 PolarHBondContact O-N 2.95Å; V363-Q365 HydrophobicContact CG1-CG 3.83Å; V363-P388 HydrophobicContact CG1-CG 4.01Å; V363-I391 HydrophobicContact CG2-CD1 3.95Å; V363-I391 HydrophobicContact CG2-CG1 4.27Å
364G93Very high95.3Very high38 Ų3835.9 Ų35.939%0.39219%0.189SC..SBendtrans89.310.7-177.300000114.9K262 E360K262-G364 WeakPolarHBondContact O-CA 3.48Å; E360-G364 WeakPolarHBondContact O-CA 3.44Å; E360-G364 PolarHBondContact O-N 2.97Å
365Q93.3Very high95.1Very high101 Ų10139.4 Ų39.447%0.47221%0.205SC..SBendtrans-150164.9177.571-169.66.900109.7Y359 V363Y359-Q365 WeakPolarHBondContact CD1-O 3.23Å; Y359-Q365 HydrophobicContact CE1-CG 4.31Å; Y359-Q365 WeakPolarHBondContact CE1-O 3.44Å; V363-Q365 HydrophobicContact CG1-CG 3.83Å
366S95.3Very high95Very high12 Ų1240 Ų408%0.08421%0.208CC..  trans-64.4149.1175.6-1790000111.8Y359 F368 H369Y359-S366 WeakPolarHBondContact CE1-O 3.45Å; S366-F368 VanDerWaalsContact C-N 3.31Å; S366-F368 WeakPolarHBondContact CB-O 3.48Å; S366-F368 PolarHBondContact OG-N 2.96Å; S366-F368 PolarHBondContact OG-O 2.86Å; S366-H369 PolarHBondContact O-CE1 2.91Å; S366-H369 PolarHBondContact O-NE2 3.42Å
367P96.7Very high94.9Very high9 Ų941.6 Ų41.66%0.05822%0.215CC..SBendtrans-71.1-23.7172.525.1-31.3000113.8V356 Y359 P385 L403V356-P367 HydrophobicContact CB-CG 4.34Å; V356-P367 HydrophobicContact CG1-CG 4.03Å; V356-P367 HydrophobicContact CG2-CG 4.04Å; Y359-P367 HydrophobicContact CD1-CB 3.81Å; Y359-P367 HydrophobicContact CD1-CG 4.14Å; Y359-P367 HydrophobicContact CD2-CB 4.03Å; Y359-P367 VanDerWaalsContact CE1-CA 3.45Å; Y359-P367 HydrophobicContact CE1-CB 3.9Å; Y359-P367 HydrophobicContact CE2-CB 4.13Å; Y359-P367 HydrophobicContact CG-CB 3.87Å; Y359-P367 HydrophobicContact CG-CG 4.24Å; P367-P385 HydrophobicContact CB-CB 3.97Å; P367-L403 HydrophobicContact CB-CD1 4.27Å
368F96.9Very high94.8Very high1 Ų146.6 Ų46.60%0.00424%0.239CC..SBendtrans-128.8147.3-175-52.6-67.5000110W352 S366 L376 S379 I380 E383 L403W352-F368 AromaticContact CH2-CE2 3.92Å; W352-F368 HydrophobicContact CH2-CE2 3.92Å; W352-F368 AromaticContact CH2-CZ 3.79Å; W352-F368 HydrophobicContact CH2-CZ 3.79Å; W352-F368 HydrophobicContact CZ2-CD2 4.25Å; W352-F368 AromaticContact CZ2-CE2 3.34Å; W352-F368 HydrophobicContact CZ2-CE2 3.34Å; W352-F368 AromaticContact CZ2-CZ 3.72Å; W352-F368 HydrophobicContact CZ2-CZ 3.72Å; S366-F368 VanDerWaalsContact C-N 3.31Å; S366-F368 WeakPolarHBondContact CB-O 3.48Å; S366-F368 PolarHBondContact OG-N 2.96Å; S366-F368 PolarHBondContact OG-O 2.86Å; F368-L376 HydrophobicContact CB-CD1 4.02Å; F368-S379 WeakPolarHBondContact CB-OG 3.33Å; F368-I380 HydrophobicContact CB-CG1 3.82Å; F368-I380 HydrophobicContact CD2-CG1 3.73Å; F368-I380 HydrophobicContact CG-CG1 3.79Å; F368-E383 WeakPolarHBondContact CE1-O 3.48Å; F368-L403 HydrophobicContact CE2-CD2 4.43Å
369H91.7Very high94.7Very high102 Ų10246.7 Ų46.747%0.47224%0.239SC..  trans-141.9152-174.2-55.885.3000111.2S366 S379S366-H369 PolarHBondContact O-CE1 2.91Å; S366-H369 PolarHBondContact O-NE2 3.42Å; H369-S379 PolarHBondContact N-OG 3.38Å; H369-S379 VanDerWaalsContact O-CB 3.31Å; H369-S379 WeakPolarHBondContact O-CB 3.42Å
370G90.3Very high94.7Very high36 Ų3646.5 Ų46.537%0.37124%0.238SC..  trans-168147.7169.900000109.8K372G370-K372 PolarHBondContact O-N 2.87Å
371E87.8Confident94.7Very high151 Ų15148 Ų4871%0.70625%0.247SC*.SBendtrans-73.1-23.8176.4-62.6-171.4172.100111.4E375E371-E375 WeakPolarHBondContact CB-OE2 3.32Å; E371-E375 PolarHBondContact N-OE2 3.02Å
372K90.6Very high94.6Very high97 Ų9754.5 Ų54.542%0.42228%0.275SS..SBendtrans-126.2160.8174.9-57.3174.5-168.3150.50110.1G370 E374 E375 L376G370-K372 PolarHBondContact O-N 2.87Å; K372-E374 VanDerWaalsContact C-N 3.26Å; K372-E374 WeakPolarHBondContact CB-OE2 3.49Å; K372-E374 PolarHBondContact O-N 3.27Å; K372-E375 WeakPolarHBondContact O-CB 3.31Å; K372-E375 PolarHBondContact O-N 3.34Å; K372-E375 VanDerWaalsContact O-N 3.11Å; K372-L376 PolarHBondContact O-N 3.33Å
373E89.7Confident94.5Very high40 Ų4059.4 Ų59.419%0.18730%0.298CS..Hα-helixtrans-56.6-38.9175.8-83.9172.2-152.600112.9S30 E375 L376 F377S30-E373 WeakPolarHBondContact CA-OE1 3.4Å; S30-E373 WeakPolarHBondContact CB-OE1 3.26Å; S30-E373 PolarHBondContact N-OE1 3.01Å; S30-E373 WeakPolarHBondContact OG-CG 3.39Å; S30-E373 PolarHBondContact OG-OE1 3.28Å; E373-E375 VanDerWaalsContact C-N 3.29Å; E373-E375 PolarHBondContact O-N 3.09Å; E373-L376 PolarHBondContact O-N 3.13Å; E373-F377 HydrophobicContact CB-CD2 4.48Å; E373-F377 HydrophobicContact CB-CE2 4.02Å; E373-F377 HydrophobicContact CB-CZ 4.18Å; E373-F377 HydrophobicContact CG-CZ 4.32Å; E373-F377 WeakPolarHBondContact O-CB 3.38Å; E373-F377 VanDerWaalsContact O-CD2 3.3Å; E373-F377 WeakPolarHBondContact O-CD2 3.39Å; E373-F377 WeakPolarHBondContact O-CG 3.37Å; E373-F377 PolarHBondContact O-N 3.38Å
374E92.1Very high94.4Very high125 Ų12567.1 Ų67.158%0.58433%0.33SS*.Hα-helixtrans-63.6-39.5179-58.485.8179.300111.6K372 E378K372-E374 VanDerWaalsContact C-N 3.26Å; K372-E374 WeakPolarHBondContact CB-OE2 3.49Å; K372-E374 PolarHBondContact O-N 3.27Å; E374-E378 WeakPolarHBondContact O-CB 3.28Å; E374-E378 WeakPolarHBondContact O-CG 3.22Å; E374-E378 PolarHBondContact O-N 3.46Å
375E96Very high94.4Very high76 Ų7665.9 Ų65.936%0.35532%0.315SS..Hα-helixtrans-69-41.5177.1-65.7167.5-158.700111.1E371 K372 E373 E378 S379E371-E375 WeakPolarHBondContact CB-OE2 3.32Å; E371-E375 PolarHBondContact N-OE2 3.02Å; K372-E375 WeakPolarHBondContact O-CB 3.31Å; K372-E375 PolarHBondContact O-N 3.34Å; K372-E375 VanDerWaalsContact O-N 3.11Å; E373-E375 VanDerWaalsContact C-N 3.29Å; E373-E375 PolarHBondContact O-N 3.09Å; E375-E378 PolarHBondContact O-N 3.06Å; E375-S379 PolarHBondContact O-N 2.94Å
376L95.7Very high94.4Very high11 Ų1168 Ų686%0.05833%0.327CS..Hα-helixtrans-61.8-47.1175.1174.262000111.1P332 F368 K372 E373 E378 S379 I380P332-L376 HydrophobicContact CB-CD2 3.92Å; F368-L376 HydrophobicContact CB-CD1 4.02Å; K372-L376 PolarHBondContact O-N 3.33Å; E373-L376 PolarHBondContact O-N 3.13Å; L376-E378 VanDerWaalsContact C-N 3.3Å; L376-E378 PolarHBondContact O-N 2.86Å; L376-S379 WeakPolarHBondContact O-CB 3.34Å; L376-S379 PolarHBondContact O-N 3.08Å; L376-S379 VanDerWaalsContact O-N 3.14Å; L376-I380 HydrophobicContact CD1-CD1 4.24Å; L376-I380 HydrophobicContact CD1-CG1 4.43Å; L376-I380 HydrophobicContact CG-CD1 4.09Å; L376-I380 WeakPolarHBondContact O-CG1 3.39Å; L376-I380 PolarHBondContact O-N 3.36Å
377F96.7Very high94.4Very high34 Ų3470.6 Ų70.615%0.14934%0.337CS..Hα-helixtrans-62.9-38.1176.8-65.9-18.2000111.4F328 P332 I335 V340 E373 I380 L381F328-F377 HydrophobicContact CZ-CE2 4.23Å; F328-F377 HydrophobicContact CZ-CZ 4.09Å; P332-F377 HydrophobicContact CB-CE1 4.23Å; I335-F377 HydrophobicContact CG2-CD1 4.24Å; I335-F377 HydrophobicContact CG2-CE1 3.97Å; V340-F377 HydrophobicContact CG1-CB 3.77Å; V340-F377 HydrophobicContact CG1-CG 4.08Å; V340-F377 HydrophobicContact CG2-CD1 4.17Å; V340-F377 HydrophobicContact CG2-CG 4.45Å; E373-F377 HydrophobicContact CB-CD2 4.48Å; E373-F377 HydrophobicContact CB-CE2 4.02Å; E373-F377 HydrophobicContact CB-CZ 4.18Å; E373-F377 HydrophobicContact CG-CZ 4.32Å; E373-F377 WeakPolarHBondContact O-CB 3.38Å; E373-F377 VanDerWaalsContact O-CD2 3.3Å; E373-F377 WeakPolarHBondContact O-CD2 3.39Å; E373-F377 WeakPolarHBondContact O-CG 3.37Å; E373-F377 PolarHBondContact O-N 3.38Å; F377-I380 HydrophobicContact CD1-CD1 4.35Å; F377-I380 PolarHBondContact O-N 3.39Å; F377-L381 WeakPolarHBondContact O-CB 3.47Å; F377-L381 WeakPolarHBondContact O-CG 3.34Å; F377-L381 PolarHBondContact O-N 2.58Å
378E97.2Very high94.2Very high106 Ų10671.8 Ų71.850%0.49535%0.345SS..Hα-helixtrans-62.9-42.3171.5-77.5-162.2-164.300112.7E374 E375 L376 L381 K382E374-E378 WeakPolarHBondContact O-CB 3.28Å; E374-E378 WeakPolarHBondContact O-CG 3.22Å; E374-E378 PolarHBondContact O-N 3.46Å; E375-E378 PolarHBondContact O-N 3.06Å; L376-E378 VanDerWaalsContact C-N 3.3Å; L376-E378 PolarHBondContact O-N 2.86Å; E378-L381 PolarHBondContact O-N 3.14Å; E378-K382 WeakPolarHBondContact O-CB 3.44Å; E378-K382 WeakPolarHBondContact O-CG 3.11Å; E378-K382 PolarHBondContact O-N 3.13Å; E378-K382 IonicContact OE1-NZ 2.84Å; E378-K382 IonicContact OE2-NZ 3.93Å; E378-K382 PolarHBondContact OE2-NZ 3.29Å
379S97.3Very high94.1Very high1 Ų183.9 Ų83.91%0.00739%0.39CS..Hα-helixtrans-59.5-49174.6179.70000111F368 H369 E375 L376 L381 K382 E383 R405F368-S379 WeakPolarHBondContact CB-OG 3.33Å; H369-S379 PolarHBondContact N-OG 3.38Å; H369-S379 VanDerWaalsContact O-CB 3.31Å; H369-S379 WeakPolarHBondContact O-CB 3.42Å; E375-S379 PolarHBondContact O-N 2.94Å; L376-S379 WeakPolarHBondContact O-CB 3.34Å; L376-S379 PolarHBondContact O-N 3.08Å; L376-S379 VanDerWaalsContact O-N 3.14Å; S379-L381 PolarHBondContact O-N 2.79Å; S379-K382 PolarHBondContact O-N 3.08Å; S379-E383 WeakPolarHBondContact CB-OE2 3.29Å; S379-E383 WeakPolarHBondContact O-CB 3.37Å; S379-E383 PolarHBondContact O-N 3.44Å; S379-E383 PolarHBondContact OG-OE2 3.03Å; S379-R405 PolarHBondContact O-NH2 3.42Å
380I97.7Very high94.2Very high0 Ų086 Ų860%039%0.394CS..Hα-helixtrans-55.8-38.2174.5-71.2170.1000111.5I335 P337 V340 W352 F368 L376 F377 R405I335-I380 HydrophobicContact CG2-CD1 3.83Å; P337-I380 HydrophobicContact CB-CG2 4.47Å; P337-I380 HydrophobicContact CG-CG2 4Å; V340-I380 HydrophobicContact CG2-CG2 4.32Å; W352-I380 HydrophobicContact CZ2-CG2 3.94Å; F368-I380 HydrophobicContact CB-CG1 3.82Å; F368-I380 HydrophobicContact CD2-CG1 3.73Å; F368-I380 HydrophobicContact CG-CG1 3.79Å; L376-I380 HydrophobicContact CD1-CD1 4.24Å; L376-I380 HydrophobicContact CD1-CG1 4.43Å; L376-I380 HydrophobicContact CG-CD1 4.09Å; L376-I380 WeakPolarHBondContact O-CG1 3.39Å; L376-I380 PolarHBondContact O-N 3.36Å; F377-I380 HydrophobicContact CD1-CD1 4.35Å; F377-I380 PolarHBondContact O-N 3.39Å; I380-R405 VanDerWaalsContact O-CZ 3.24Å; I380-R405 PolarHBondContact O-NE 3.39Å; I380-R405 PolarHBondContact O-NH2 3.31Å
381L97.6Very high94.6Very high52 Ų5285.2 Ų85.227%0.27238%0.381SS..Hα-helixtrans-79.9-26.8-178.4-70.1177.2000114.5P337 V340 K341 F377 E378 S379 R405P337-L381 HydrophobicContact CB-CD2 4.13Å; V340-L381 HydrophobicContact CB-CD2 4.24Å; V340-L381 HydrophobicContact CG1-CD1 3.77Å; V340-L381 HydrophobicContact CG1-CD2 4.14Å; V340-L381 HydrophobicContact CG1-CG 3.95Å; K341-L381 HydrophobicContact CD-CD2 4.22Å; K341-L381 HydrophobicContact CG-CD2 3.85Å; F377-L381 WeakPolarHBondContact O-CB 3.47Å; F377-L381 WeakPolarHBondContact O-CG 3.34Å; F377-L381 PolarHBondContact O-N 2.58Å; E378-L381 PolarHBondContact O-N 3.14Å; S379-L381 PolarHBondContact O-N 2.79Å; L381-R405 VanDerWaalsContact C-NE 3.27Å; L381-R405 WeakPolarHBondContact O-CD 3.41Å; L381-R405 PolarHBondContact O-NE 3.29Å
382K96.5Very high95.1Very high137 Ų13779.7 Ų79.760%0.59636%0.359SS*.Hα-helixtrans-124.9-37.5-165.6-59.5173.5-171.61680114.8E378 S379E378-K382 WeakPolarHBondContact O-CB 3.44Å; E378-K382 WeakPolarHBondContact O-CG 3.11Å; E378-K382 PolarHBondContact O-N 3.13Å; E378-K382 IonicContact OE1-NZ 2.84Å; E378-K382 IonicContact OE2-NZ 3.93Å; E378-K382 PolarHBondContact OE2-NZ 3.29Å; S379-K382 PolarHBondContact O-N 3.08Å
383E95.8Very high95.4Very high108 Ų10884 Ų8451%0.50537%0.373SS..PPolyproline II helixtrans-85.7144.8-166.9-66.4-177.7171.600112.9F368 S379 R405F368-E383 WeakPolarHBondContact CE1-O 3.48Å; S379-E383 WeakPolarHBondContact CB-OE2 3.29Å; S379-E383 WeakPolarHBondContact O-CB 3.37Å; S379-E383 PolarHBondContact O-N 3.44Å; S379-E383 PolarHBondContact OG-OE2 3.03Å; E383-R405 PolarHBondContact O-NH1 2.85Å; E383-R405 PolarHBondContact O-NH2 3.3Å
384K93.9Very high95.8Very high172 Ų17283.7 Ų83.775%0.74837%0.373SS*.PPolyproline II helixtrans-87.8136173.1-70.4-169.9176.1-169.50109.7
385P92.9Very high96.1Very high12 Ų1277.8 Ų77.88%0.07835%0.345CS..PPolyproline II helixtrans-60.8139.9174.726.2-33.9000110.2Y359 P367 F387 L403Y359-P385 HydrophobicContact CD2-CB 4.46Å; Y359-P385 HydrophobicContact CE2-CB 4.03Å; P367-P385 HydrophobicContact CB-CB 3.97Å; P385-F387 HydrophobicContact CB-CE1 4.25Å; P385-F387 HydrophobicContact CB-CZ 4.41Å; P385-F387 HydrophobicContact CG-CE1 4.27Å; P385-F387 HydrophobicContact CG-CZ 3.95Å; P385-L403 HydrophobicContact CB-CD1 4.08Å; P385-L403 HydrophobicContact CG-CD1 3.82Å
386M94Very high96.2Very high146 Ų14675.1 Ų75.172%0.71934%0.336SS*.PPolyproline II helixtrans-92.5126-179-75.6-66.8-63.600110.3Y359 P388Y359-M386 PolarHBondContact OH-O 2.78Å; M386-P388 WeakPolarHBondContact O-CD 3.16Å
387F94.4Very high96.3Very high67 Ų6781.3 Ų81.329%0.29436%0.359SS..  trans-101.3113.8177.6-55-51.9000111.2Y359 P385 A396 L399 D400Y359-F387 HydrophobicContact CD2-CD1 4.37Å; Y359-F387 HydrophobicContact CD2-CE1 4.06Å; Y359-F387 AromaticContact CE2-CD1 4Å; Y359-F387 HydrophobicContact CE2-CD1 4Å; Y359-F387 AromaticContact CE2-CE1 3.99Å; Y359-F387 HydrophobicContact CE2-CE1 3.99Å; P385-F387 HydrophobicContact CB-CE1 4.25Å; P385-F387 HydrophobicContact CB-CZ 4.41Å; P385-F387 HydrophobicContact CG-CE1 4.27Å; P385-F387 HydrophobicContact CG-CZ 3.95Å; F387-A396 HydrophobicContact CD2-CB 4Å; F387-A396 HydrophobicContact CE2-CB 4.39Å; F387-A396 HydrophobicContact CG-CB 4.19Å; F387-L399 HydrophobicContact CD1-CD1 4.2Å; F387-L399 HydrophobicContact CE1-CB 3.73Å; F387-L399 HydrophobicContact CE1-CD1 3.86Å; F387-L399 HydrophobicContact CE1-CG 4.45Å; F387-L399 HydrophobicContact CZ-CB 3.92Å; F387-D400 HydrophobicContact CE2-CB 4.41Å; F387-D400 HydrophobicContact CZ-CB 4.45Å
388P93.4Very high96.4Very high33 Ų3379.8 Ų79.821%0.21435%0.353CS..  trans-65.7161.8174.9-2334.6000113V363 M386 W390 I391V363-P388 HydrophobicContact CG1-CG 4.01Å; M386-P388 WeakPolarHBondContact O-CD 3.16Å; P388-W390 HydrophobicContact CB-CD2 3.6Å; P388-W390 VanDerWaalsContact CB-CE2 3.4Å; P388-W390 HydrophobicContact CB-CE3 3.67Å; P388-W390 HydrophobicContact CB-CG 4.42Å; P388-W390 HydrophobicContact CB-CH2 3.42Å; P388-W390 VanDerWaalsContact CB-CH2 3.42Å; P388-W390 HydrophobicContact CB-CZ2 3.34Å; P388-W390 HydrophobicContact CB-CZ3 3.59Å; P388-W390 HydrophobicContact CG-CH2 3.81Å; P388-W390 HydrophobicContact CG-CZ2 3.44Å; P388-W390 VanDerWaalsContact CG-CZ2 3.44Å; P388-W390 HydrophobicContact CG-CZ3 4.46Å; P388-W390 PolarHBondContact O-N 2.78Å; P388-I391 WeakPolarHBondContact O-CB 3.42Å; P388-I391 PolarHBondContact O-N 2.88Å
389R94.7Very high96.5Very high256 Ų25674.8 Ų74.897%0.96633%0.329SS*.THydrogen-bonded Turntrans-60.9-21.7-175.5-65.6-176.6-179.5-179.50.5115I391R389-I391 VanDerWaalsContact C-N 3.32Å
390W95Very high96.5Very high145 Ų14579.3 Ų79.355%0.54935%0.353SS..THydrogen-bonded Turntrans-82.5-9.4178.55980.4000113.6P388P388-W390 HydrophobicContact CB-CD2 3.6Å; P388-W390 VanDerWaalsContact CB-CE2 3.4Å; P388-W390 HydrophobicContact CB-CE3 3.67Å; P388-W390 HydrophobicContact CB-CG 4.42Å; P388-W390 HydrophobicContact CB-CH2 3.42Å; P388-W390 VanDerWaalsContact CB-CH2 3.42Å; P388-W390 HydrophobicContact CB-CZ2 3.34Å; P388-W390 HydrophobicContact CB-CZ3 3.59Å; P388-W390 HydrophobicContact CG-CH2 3.81Å; P388-W390 HydrophobicContact CG-CZ2 3.44Å; P388-W390 VanDerWaalsContact CG-CZ2 3.44Å; P388-W390 HydrophobicContact CG-CZ3 4.46Å; P388-W390 PolarHBondContact O-N 2.78Å
391I97.6Very high96.5Very high20 Ų2079.8 Ų79.810%0.10336%0.357CS..SBendtrans-77.2125.5174.6-59-58.9000108.6L362 V363 P388 R389 A395 A396L362-I391 HydrophobicContact CB-CD1 3.81Å; V363-I391 HydrophobicContact CG2-CD1 3.95Å; V363-I391 HydrophobicContact CG2-CG1 4.27Å; P388-I391 WeakPolarHBondContact O-CB 3.42Å; P388-I391 PolarHBondContact O-N 2.88Å; R389-I391 VanDerWaalsContact C-N 3.32Å; I391-A395 HydrophobicContact CG2-CB 3.79Å; I391-A396 HydrophobicContact CG2-CB 4.06Å
392S98.2Very high96.6Very high35 Ų3577.3 Ų77.325%0.24534%0.344CS..  trans-66.9159.1178.372.60000111.5E266 D394 A395 A396E266-S392 PolarHBondContact OE1-OG 3.4Å; E266-S392 WeakPolarHBondContact OE2-CB 3.41Å; E266-S392 PolarHBondContact OE2-OG 2.69Å; S392-D394 PolarHBondContact O-N 3.49Å; S392-A395 PolarHBondContact O-N 2.93Å; S392-A395 WeakPolarHBondContact OG-CB 3.23Å; S392-A395 PolarHBondContact OG-N 2.9Å; S392-A395 VanDerWaalsContact OG-N 3.14Å; S392-A396 WeakPolarHBondContact O-CB 3.24Å; S392-A396 PolarHBondContact O-N 3.15Å
393R97.9Very high96.7Very high187 Ų18771.2 Ų71.271%0.70632%0.318SS*.Hα-helixtrans-60.6-33.7176.4-167.7-179.9-67.1-177.6-2.9112.3R397R393-R397 WeakPolarHBondContact O-CB 3.34Å; R393-R397 WeakPolarHBondContact O-CD 3.32Å; R393-R397 VanDerWaalsContact O-CG 3.23Å; R393-R397 WeakPolarHBondContact O-CG 3.41Å; R393-R397 PolarHBondContact O-N 3.26Å; R393-R397 VanDerWaalsContact O-N 3.11Å
394D98Very high96.8Very high35 Ų3568.4 Ų68.419%0.18731%0.306CS..Hα-helixtrans-70.1-44.3177.7-70-28.1000111.4S392 R397 C398 S425 R428S392-D394 PolarHBondContact O-N 3.49Å; D394-R397 PolarHBondContact O-N 3.05Å; D394-C398 WeakPolarHBondContact O-CB 3.38Å; D394-C398 PolarHBondContact O-N 3.29Å; D394-S425 WeakPolarHBondContact OD1-CB 3.46Å; D394-S425 PolarHBondContact OD1-OG 3.11Å; D394-R428 IonicContact OD2-CZ 2.78Å; D394-R428 IonicContact OD2-NH1 3.76Å; D394-R428 PolarHBondContact OD2-NH1 2.78Å
395A98.5Very high96.9Very high0 Ų062.8 Ų62.80%028%0.281CS..Hα-helixtrans-63.6-46.2175.500000112L362 I391 S392 R397 C398 L399 F426L362-A395 HydrophobicContact CD1-CB 4.02Å; I391-A395 HydrophobicContact CG2-CB 3.79Å; S392-A395 PolarHBondContact O-N 2.93Å; S392-A395 WeakPolarHBondContact OG-CB 3.23Å; S392-A395 PolarHBondContact OG-N 2.9Å; S392-A395 VanDerWaalsContact OG-N 3.14Å; A395-R397 PolarHBondContact O-N 3.42Å; A395-C398 WeakPolarHBondContact O-CB 3.43Å; A395-C398 PolarHBondContact O-N 3.24Å; A395-L399 WeakPolarHBondContact O-CB 3.26Å; A395-L399 WeakPolarHBondContact O-CG 3.41Å; A395-L399 PolarHBondContact O-N 2.92Å; A395-F426 HydrophobicContact CB-CD2 3.84Å; A395-F426 HydrophobicContact CB-CE2 3.9Å
396A98.2Very high97.2Very high21 Ų2165.3 Ų65.317%0.17429%0.293CS..Hα-helixtrans-60.2-42.9178.100000112.2F387 I391 S392 L399 D400F387-A396 HydrophobicContact CD2-CB 4Å; F387-A396 HydrophobicContact CE2-CB 4.39Å; F387-A396 HydrophobicContact CG-CB 4.19Å; I391-A396 HydrophobicContact CG2-CB 4.06Å; S392-A396 WeakPolarHBondContact O-CB 3.24Å; S392-A396 PolarHBondContact O-N 3.15Å; A396-L399 PolarHBondContact O-N 2.75Å; A396-D400 WeakPolarHBondContact O-CB 3.41Å; A396-D400 PolarHBondContact O-N 2.84Å
397R97.5Very high97.3Very high140 Ų14059.9 Ų59.953%0.52827%0.269SS..Hα-helixtrans-64.8-40.5176.2-75.7170.8178.3162.7-8.7112.8R393 D394 A395 A401R393-R397 WeakPolarHBondContact O-CB 3.34Å; R393-R397 WeakPolarHBondContact O-CD 3.32Å; R393-R397 VanDerWaalsContact O-CG 3.23Å; R393-R397 WeakPolarHBondContact O-CG 3.41Å; R393-R397 PolarHBondContact O-N 3.26Å; R393-R397 VanDerWaalsContact O-N 3.11Å; D394-R397 PolarHBondContact O-N 3.05Å; A395-R397 PolarHBondContact O-N 3.42Å; R397-A401 WeakPolarHBondContact O-CB 3.29Å; R397-A401 PolarHBondContact O-N 2.93Å; R397-A401 VanDerWaalsContact O-N 3.13Å
398C98.4Very high97.4Very high3 Ų362.3 Ų62.32%0.0229%0.285CS..Hα-helixtrans-61.6-48.4175.7-173.60000110.9D394 A395 A401 L402 F426D394-C398 WeakPolarHBondContact O-CB 3.38Å; D394-C398 PolarHBondContact O-N 3.29Å; A395-C398 WeakPolarHBondContact O-CB 3.43Å; A395-C398 PolarHBondContact O-N 3.24Å; C398-A401 PolarHBondContact O-N 2.52Å; C398-L402 WeakPolarHBondContact O-CG 3.32Å; C398-L402 PolarHBondContact O-N 2.97Å; C398-F426 HydrophobicContact CB-CB 3.74Å; C398-F426 HydrophobicContact CB-CG 4.16Å
399L98.6Very high97.6Very high0 Ų063 Ų630%029%0.289CS..Hα-helixtrans-62.6-44.3178.4-71.9170.8000112.5G355 L358 Y359 L362 F387 A395 A396 A401 L402 L403G355-L399 WeakPolarHBondContact O-CD2 3.34Å; L358-L399 HydrophobicContact CB-CD2 4.02Å; L358-L399 HydrophobicContact CD2-CD2 4.05Å; L358-L399 HydrophobicContact CG-CD2 3.85Å; Y359-L399 HydrophobicContact CD2-CD1 4.07Å; L362-L399 HydrophobicContact CD1-CD1 4Å; F387-L399 HydrophobicContact CD1-CD1 4.2Å; F387-L399 HydrophobicContact CE1-CB 3.73Å; F387-L399 HydrophobicContact CE1-CD1 3.86Å; F387-L399 HydrophobicContact CE1-CG 4.45Å; F387-L399 HydrophobicContact CZ-CB 3.92Å; A395-L399 WeakPolarHBondContact O-CB 3.26Å; A395-L399 WeakPolarHBondContact O-CG 3.41Å; A395-L399 PolarHBondContact O-N 2.92Å; A396-L399 PolarHBondContact O-N 2.75Å; L399-A401 VanDerWaalsContact C-N 3.28Å; L399-A401 PolarHBondContact O-N 2.92Å; L399-L402 PolarHBondContact O-N 2.9Å; L399-L403 VanDerWaalsContact O-CB 3.29Å; L399-L403 WeakPolarHBondContact O-CB 3.3Å; L399-L403 WeakPolarHBondContact O-CG 3.25Å; L399-L403 PolarHBondContact O-N 3.43Å
400D97.8Very high97.8Very high97 Ų9750.9 Ų50.952%0.51924%0.243SC..Hα-helixtrans-60.6-39.1177.8-164.757.4000111.6F387 A396 D404F387-D400 HydrophobicContact CE2-CB 4.41Å; F387-D400 HydrophobicContact CZ-CB 4.45Å; A396-D400 WeakPolarHBondContact O-CB 3.41Å; A396-D400 PolarHBondContact O-N 2.84Å; D400-D404 PolarHBondContact O-N 2.84Å
401A98.1Very high98Very high9 Ų944 Ų447%0.07422%0.217CC..Hα-helixtrans-74.8-32.7177.700000113.6R397 C398 L399 L411R397-A401 WeakPolarHBondContact O-CB 3.29Å; R397-A401 PolarHBondContact O-N 2.93Å; R397-A401 VanDerWaalsContact O-N 3.13Å; C398-A401 PolarHBondContact O-N 2.52Å; L399-A401 VanDerWaalsContact C-N 3.28Å; L399-A401 PolarHBondContact O-N 2.92Å; A401-L411 HydrophobicContact CB-CB 3.84Å; A401-L411 HydrophobicContact CB-CD2 4.32Å; A401-L411 PolarHBondContact O-N 2.85Å
402L98.6Very high97.9Very high0 Ų044.1 Ų44.10%022%0.223CC..Hα-helixtrans-73.7-37.5174.2-74.7164.9000112.3F351 F354 L358 C398 L399 D404 R410 L411 I421F351-L402 HydrophobicContact CB-CD2 4.36Å; F354-L402 HydrophobicContact CD1-CD1 3.8Å; F354-L402 HydrophobicContact CD1-CD2 3.9Å; F354-L402 HydrophobicContact CE1-CD1 3.99Å; L358-L402 HydrophobicContact CD2-CD1 4.06Å; C398-L402 WeakPolarHBondContact O-CG 3.32Å; C398-L402 PolarHBondContact O-N 2.97Å; L399-L402 PolarHBondContact O-N 2.9Å; L402-D404 PolarHBondContact O-N 3.38Å; L402-R410 VanDerWaalsContact O-CD 3.24Å; L402-R410 WeakPolarHBondContact O-CD 3.3Å; L402-R410 VanDerWaalsContact O-CG 3.23Å; L402-R410 WeakPolarHBondContact O-CG 3.38Å; L402-L411 HydrophobicContact CD2-CB 3.93Å; L402-L411 HydrophobicContact CD2-CD2 4.14Å; L402-L411 HydrophobicContact CD2-CG 4.24Å; L402-L411 HydrophobicContact CG-CB 4.11Å; L402-L411 HydrophobicContact CG-CD2 3.95Å; L402-L411 HydrophobicContact CG-CG 4.46Å; L402-I421 HydrophobicContact CD2-CD1 3.84Å
403L98.4Very high97.8Very high10 Ų1043.6 Ų43.65%0.05222%0.219CC..THydrogen-bonded Turntrans-89.327179.2-59.3175.1000112W352 V356 P367 F368 P385 L399W352-L403 HydrophobicContact CD2-CD2 4.23Å; W352-L403 HydrophobicContact CE3-CD2 4.35Å; W352-L403 HydrophobicContact CZ2-CD2 4.41Å; W352-L403 VanDerWaalsContact CZ3-C 3.5Å; W352-L403 HydrophobicContact CZ3-CB 4.3Å; W352-L403 VanDerWaalsContact CZ3-O 3.3Å; W352-L403 WeakPolarHBondContact CZ3-O 3.05Å; V356-L403 HydrophobicContact CG2-CD2 3.9Å; P367-L403 HydrophobicContact CB-CD1 4.27Å; F368-L403 HydrophobicContact CE2-CD2 4.43Å; P385-L403 HydrophobicContact CB-CD1 4.08Å; P385-L403 HydrophobicContact CG-CD1 3.82Å; L399-L403 VanDerWaalsContact O-CB 3.29Å; L399-L403 WeakPolarHBondContact O-CB 3.3Å; L399-L403 WeakPolarHBondContact O-CG 3.25Å; L399-L403 PolarHBondContact O-N 3.43Å
404D98Very high97.6Very high48 Ų4840.2 Ų40.226%0.25723%0.231SC..  trans-69.6126.7167.9-174-1.7000109.7D400 L402 N406 T409 R410D400-D404 PolarHBondContact O-N 2.84Å; L402-D404 PolarHBondContact O-N 3.38Å; D404-N406 PolarHBondContact O-N 2.95Å; D404-N406 PolarHBondContact OD1-N 3.17Å; D404-T409 WeakPolarHBondContact OD2-CB 3.47Å; D404-T409 PolarHBondContact OD2-OG1 3.13Å; D404-R410 HydrophobicContact CB-CB 4.26Å; D404-R410 HydrophobicContact CB-CG 4.41Å; D404-R410 VanDerWaalsContact O-CZ 3.29Å; D404-R410 PolarHBondContact O-NE 3.47Å; D404-R410 PolarHBondContact O-NH2 3.24Å
405R97.9Very high97.4Very high55 Ų5540.8 Ų40.821%0.20825%0.245CC..SBendtrans-73.5-15.7179.3-67.1-178166.686.6-0.1113.2P337 W352 S379 I380 L381 E383 P407P337-R405 HydrophobicContact CB-CB 4.48Å; P337-R405 HydrophobicContact CB-CG 4.44Å; P337-R405 HydrophobicContact CG-CB 4.31Å; P337-R405 HydrophobicContact CG-CG 3.97Å; W352-R405 HydrophobicContact CH2-CG 4.25Å; W352-R405 HydrophobicContact CZ3-CG 4.13Å; S379-R405 PolarHBondContact O-NH2 3.42Å; I380-R405 VanDerWaalsContact O-CZ 3.24Å; I380-R405 PolarHBondContact O-NE 3.39Å; I380-R405 PolarHBondContact O-NH2 3.31Å; L381-R405 VanDerWaalsContact C-NE 3.27Å; L381-R405 WeakPolarHBondContact O-CD 3.41Å; L381-R405 PolarHBondContact O-NE 3.29Å; E383-R405 PolarHBondContact O-NH1 2.85Å; E383-R405 PolarHBondContact O-NH2 3.3Å; R405-P407 WeakPolarHBondContact O-CD 3.45Å
406N97.5Very high97.2Very high65 Ų6541.3 Ų41.335%0.34825%0.248SC..  trans-90.6110172.6-177.921.9000109.9D404 D408 T409 R410D404-N406 PolarHBondContact O-N 2.95Å; D404-N406 PolarHBondContact OD1-N 3.17Å; N406-D408 PolarHBondContact O-N 2.97Å; N406-D408 PolarHBondContact OD1-N 2.83Å; N406-T409 WeakPolarHBondContact CB-OG1 3.44Å; N406-T409 PolarHBondContact ND2-OG1 2.82Å; N406-T409 PolarHBondContact O-N 2.85Å; N406-R410 PolarHBondContact O-N 2.93Å; N406-R410 VanDerWaalsContact O-N 3.12Å
407P97.3Very high97.1Very high31 Ų3145.2 Ų45.220%0.20127%0.272CS..THydrogen-bonded Turntrans-61.5-28.5-178.925.1-34.1000112.8A348 R405 T409 T413A348-P407 HydrophobicContact CB-CB 3.69Å; R405-P407 WeakPolarHBondContact O-CD 3.45Å; P407-T409 VanDerWaalsContact C-N 3.29Å; P407-T409 PolarHBondContact O-N 2.71Å; P407-T413 VanDerWaalsContact O-CG2 3.27Å; P407-T413 WeakPolarHBondContact O-CG2 3.48Å; P407-T413 PolarHBondContact O-OG1 3.43Å
408D96.1Very high97Very high118 Ų11844.3 Ų44.363%0.63127%0.274SS*.THydrogen-bonded Turntrans-72-22.3-176.9-59.9-33.9000113.3N406 T413 G415N406-D408 PolarHBondContact O-N 2.97Å; N406-D408 PolarHBondContact OD1-N 2.83Å; D408-T413 PolarHBondContact O-OG1 2.97Å; D408-G415 CarbonylContact O-C 3.56Å; D408-G415 VanDerWaalsContact O-CA 3.26Å; D408-G415 WeakPolarHBondContact O-CA 3.33Å
409T97.8Very high96.8Very high49 Ų4945.5 Ų45.530%0.30129%0.286SS..THydrogen-bonded Turntrans-113-3.1179.249.60000113.6D404 N406 P407 C416D404-T409 WeakPolarHBondContact OD2-CB 3.47Å; D404-T409 PolarHBondContact OD2-OG1 3.13Å; N406-T409 WeakPolarHBondContact CB-OG1 3.44Å; N406-T409 PolarHBondContact ND2-OG1 2.82Å; N406-T409 PolarHBondContact O-N 2.85Å; P407-T409 VanDerWaalsContact C-N 3.29Å; P407-T409 PolarHBondContact O-N 2.71Å; T409-C416 WeakPolarHBondContact O-CA 3.21Å; T409-C416 PolarHBondContact O-SG 3.17Å
410R98.3Very high96.6Very high0 Ų050.1 Ų50.10%032%0.316CS..SBendtrans-62.4140.5179.9-171.2178.7-63.3145.93.7112.1E338 A348 L402 D404 N406 G412 T413 C416E338-R410 IonicContact OE1-CZ 3.32Å; E338-R410 IonicContact OE1-NH1 3.38Å; E338-R410 PolarHBondContact OE1-NH1 2.9Å; E338-R410 IonicContact OE1-NH2 3.58Å; E338-R410 PolarHBondContact OE1-NH2 3.3Å; E338-R410 IonicContact OE2-CZ 2.83Å; E338-R410 IonicContact OE2-NH1 2.85Å; E338-R410 IonicContact OE2-NH2 3.03Å; E338-R410 PolarHBondContact OE2-NH2 3.28Å; A348-R410 PolarHBondContact O-NH1 3.21Å; L402-R410 VanDerWaalsContact O-CD 3.24Å; L402-R410 WeakPolarHBondContact O-CD 3.3Å; L402-R410 VanDerWaalsContact O-CG 3.23Å; L402-R410 WeakPolarHBondContact O-CG 3.38Å; D404-R410 HydrophobicContact CB-CB 4.26Å; D404-R410 HydrophobicContact CB-CG 4.41Å; D404-R410 VanDerWaalsContact O-CZ 3.29Å; D404-R410 PolarHBondContact O-NE 3.47Å; D404-R410 PolarHBondContact O-NH2 3.24Å; N406-R410 PolarHBondContact O-N 2.93Å; N406-R410 VanDerWaalsContact O-N 3.12Å; R410-G412 PolarHBondContact O-N 3.07Å; R410-T413 PolarHBondContact O-N 3.04Å; R410-T413 VanDerWaalsContact O-N 3.08Å; R410-T413 PolarHBondContact O-OG1 3.49Å; R410-C416 WeakPolarHBondContact O-CB 3.33Å
411L98.5Very high96.6Very high0 Ų045.8 Ų45.80%029%0.293CS..THydrogen-bonded Turntrans-57.1132.8175.6-172.865.4000111.3F351 A401 L402 C416 H418 I421 V424F351-L411 WeakPolarHBondContact CB-O 3.15Å; A401-L411 HydrophobicContact CB-CB 3.84Å; A401-L411 HydrophobicContact CB-CD2 4.32Å; A401-L411 PolarHBondContact O-N 2.85Å; L402-L411 HydrophobicContact CD2-CB 3.93Å; L402-L411 HydrophobicContact CD2-CD2 4.14Å; L402-L411 HydrophobicContact CD2-CG 4.24Å; L402-L411 HydrophobicContact CG-CB 4.11Å; L402-L411 HydrophobicContact CG-CD2 3.95Å; L402-L411 HydrophobicContact CG-CG 4.46Å; L411-C416 VanDerWaalsContact CA-SG 3.54Å; L411-H418 HydrophobicContact CD1-CB 4.25Å; L411-I421 HydrophobicContact CD1-CB 4.34Å; L411-I421 HydrophobicContact CD2-CB 4.48Å; L411-I421 HydrophobicContact CD2-CD1 4.44Å; L411-I421 HydrophobicContact CD2-CG1 3.99Å; L411-I421 HydrophobicContact CG-CB 4.05Å; L411-I421 HydrophobicContact CG-CD1 4.38Å; L411-I421 HydrophobicContact CG-CG1 4.02Å; L411-V424 HydrophobicContact CD1-CG1 3.61Å; L411-V424 HydrophobicContact CD2-CG1 3.86Å; L411-V424 HydrophobicContact CD2-CG2 4.15Å; L411-V424 HydrophobicContact CG-CG1 4.4Å
412G96.5Very high96.6Very high23 Ų2348.9 Ų48.924%0.23730%0.302CS..THydrogen-bonded Turntrans103.8-22.1-173.300000113.2F351 R410F351-G412 VanDerWaalsContact CE2-C 3.48Å; F351-G412 VanDerWaalsContact CE2-O 3.29Å; F351-G412 WeakPolarHBondContact CE2-O 3.14Å; R410-G412 PolarHBondContact O-N 3.07Å
413T95.6Very high96.5Very high25 Ų2552.4 Ų52.415%0.15333%0.332CS..SBendtrans-92.6156.3173.574.40000111.9A348 F351 P407 D408 R410 G415 C416A348-T413 HydrophobicContact CB-CG2 3.77Å; F351-T413 HydrophobicContact CD2-CG2 4.29Å; P407-T413 VanDerWaalsContact O-CG2 3.27Å; P407-T413 WeakPolarHBondContact O-CG2 3.48Å; P407-T413 PolarHBondContact O-OG1 3.43Å; D408-T413 PolarHBondContact O-OG1 2.97Å; R410-T413 PolarHBondContact O-N 3.04Å; R410-T413 VanDerWaalsContact O-N 3.08Å; R410-T413 PolarHBondContact O-OG1 3.49Å; T413-G415 PolarHBondContact O-N 3.31Å; T413-C416 WeakPolarHBondContact O-CB 3.45Å; T413-C416 PolarHBondContact O-N 3.22Å; T413-C416 VanDerWaalsContact O-N 3.16Å
414A93.4Very high96.4Very high116 Ų11652.8 Ų52.896%0.95933%0.334SS*.THydrogen-bonded Turntrans-63.2-25.4-176.500000113.8C416A414-C416 VanDerWaalsContact C-N 3.3Å
415G93.6Very high96.4Very high47 Ų4752.6 Ų52.649%0.48534%0.337SS..THydrogen-bonded Turntrans-83.50.117900000114.4D408 T413D408-G415 CarbonylContact O-C 3.56Å; D408-G415 VanDerWaalsContact O-CA 3.26Å; D408-G415 WeakPolarHBondContact O-CA 3.33Å; T413-G415 PolarHBondContact O-N 3.31Å
416C95.7Very high96.4Very high10 Ų1050 Ų507%0.06833%0.327CS..  trans-66.9125.6-178.4-170.80000112.1T409 R410 L411 T413 A414 H418 G419T409-C416 WeakPolarHBondContact O-CA 3.21Å; T409-C416 PolarHBondContact O-SG 3.17Å; R410-C416 WeakPolarHBondContact O-CB 3.33Å; L411-C416 VanDerWaalsContact CA-SG 3.54Å; T413-C416 WeakPolarHBondContact O-CB 3.45Å; T413-C416 PolarHBondContact O-N 3.22Å; T413-C416 VanDerWaalsContact O-N 3.16Å; A414-C416 VanDerWaalsContact C-N 3.3Å; C416-H418 PolarHBondContact O-N 2.82Å; C416-G419 PolarHBondContact O-N 3.43Å; C416-G419 VanDerWaalsContact O-N 3.08Å
417P96Very high96.5Very high104 Ų10447 Ų4768%0.67531%0.311SS*.THydrogen-bonded Turntrans-67.9-16.6179.428.4-36000113.4G419P417-G419 VanDerWaalsContact C-N 3.26Å
418H93.9Very high96.4Very high121 Ų12153.4 Ų53.456%0.5633%0.331SS*.THydrogen-bonded Turntrans-83.2-2.7176.3-62.3-63.9000113.3L411 C416 V424L411-H418 HydrophobicContact CD1-CB 4.25Å; C416-H418 PolarHBondContact O-N 2.82Å; H418-V424 HydrophobicContact CB-CG1 4.44Å
419G94.2Very high96.5Very high27 Ų2752 Ų5228%0.27833%0.327SS..  trans78.5-162.6-177.800000113.2C416 P417C416-G419 PolarHBondContact O-N 3.43Å; C416-G419 VanDerWaalsContact O-N 3.08Å; P417-G419 VanDerWaalsContact C-N 3.26Å
420P95.6Very high96.5Very high97 Ų9750.9 Ų50.963%0.6332%0.32SS*.  trans-62.2140.8-177.6-22.733.7000112.4R422 A423P420-R422 PolarHBondContact O-N 3.31Å; P420-R422 VanDerWaalsContact O-N 3.17Å; P420-A423 WeakPolarHBondContact O-CB 3.34Å; P420-A423 PolarHBondContact O-N 2.92Å
421I97.8Very high96.4Very high6 Ų654.2 Ų54.23%0.03134%0.338CS..G310 helixtrans-54.6-37.6-179.2-175.4164.8000113.2L277 F351 F354 L402 L411 A423 V424 F427L277-I421 HydrophobicContact CD1-CD1 3.87Å; L277-I421 HydrophobicContact CD1-CG2 4.09Å; L277-I421 HydrophobicContact CD2-CB 4.47Å; L277-I421 HydrophobicContact CD2-CD1 4Å; L277-I421 HydrophobicContact CD2-CG1 3.88Å; L277-I421 HydrophobicContact CD2-CG2 3.87Å; F351-I421 HydrophobicContact CD1-CD1 4.18Å; F351-I421 HydrophobicContact CE1-CD1 4.42Å; F354-I421 HydrophobicContact CD1-CD1 4.18Å; F354-I421 HydrophobicContact CE1-CD1 3.93Å; L402-I421 HydrophobicContact CD2-CD1 3.84Å; L411-I421 HydrophobicContact CD1-CB 4.34Å; L411-I421 HydrophobicContact CD2-CB 4.48Å; L411-I421 HydrophobicContact CD2-CD1 4.44Å; L411-I421 HydrophobicContact CD2-CG1 3.99Å; L411-I421 HydrophobicContact CG-CB 4.05Å; L411-I421 HydrophobicContact CG-CD1 4.38Å; L411-I421 HydrophobicContact CG-CG1 4.02Å; I421-A423 PolarHBondContact O-N 3.12Å; I421-V424 WeakPolarHBondContact O-CG2 3.21Å; I421-V424 PolarHBondContact O-N 3.11Å; I421-F427 HydrophobicContact CG1-CE2 4.1Å; I421-F427 WeakPolarHBondContact O-CD2 3.44Å
422R97.2Very high96.4Very high74 Ų7456.1 Ų56.128%0.27935%0.345SS..G310 helixtrans-66-18.2177.6-67.3-170.7179-171.7-2114.5L277 E281 P420 W432 H436L277-R422 HydrophobicContact CD2-CG 4.24Å; E281-R422 IonicContact OE1-NE 2.61Å; E281-R422 PolarHBondContact OE1-NE 3.21Å; E281-R422 IonicContact OE2-CZ 3.64Å; E281-R422 IonicContact OE2-NE 3.05Å; E281-R422 PolarHBondContact OE2-NE 3.17Å; E281-R422 IonicContact OE2-NH2 2.85Å; E281-R422 PolarHBondContact OE2-NH2 3.28Å; P420-R422 PolarHBondContact O-N 3.31Å; P420-R422 VanDerWaalsContact O-N 3.17Å; R422-W432 HydrophobicContact CB-CD2 4.34Å; R422-W432 HydrophobicContact CB-CZ2 3.74Å; R422-W432 HydrophobicContact CG-CD2 4Å; R422-W432 HydrophobicContact CG-CE3 4.25Å; R422-W432 HydrophobicContact CG-CH2 3.94Å; R422-W432 HydrophobicContact CG-CZ2 3.61Å; R422-W432 HydrophobicContact CG-CZ3 4.22Å; R422-W432 PolarHBondContact O-NE1 3.44Å; R422-H436 VanDerWaalsContact CZ-CE1 3.4Å; R422-H436 PolarHBondContact NH1-CE1 2.98Å; R422-H436 PolarHBondContact NH2-CE1 2.87Å; R422-H436 PolarHBondContact NH2-NE2 2.93Å
423A96.3Very high96.4Very high75 Ų7562.5 Ų62.562%0.6237%0.366SS*.G310 helixtrans-96.7-8-174.800000113.8P420 I421P420-A423 WeakPolarHBondContact O-CB 3.34Å; P420-A423 PolarHBondContact O-N 2.92Å; I421-A423 PolarHBondContact O-N 3.12Å
424V97.4Very high96.5Very high17 Ų1766 Ų6610%0.10338%0.379CS..SBendtrans-69.3152.8-179.2-54.30000111.8L411 H418 I421 F426 F427L411-V424 HydrophobicContact CD1-CG1 3.61Å; L411-V424 HydrophobicContact CD2-CG1 3.86Å; L411-V424 HydrophobicContact CD2-CG2 4.15Å; L411-V424 HydrophobicContact CG-CG1 4.4Å; H418-V424 HydrophobicContact CB-CG1 4.44Å; I421-V424 WeakPolarHBondContact O-CG2 3.21Å; I421-V424 PolarHBondContact O-N 3.11Å; V424-F426 HydrophobicContact CG2-CB 4.26Å; V424-F426 PolarHBondContact O-N 2.86Å; V424-F427 HydrophobicContact CG2-CD2 3.75Å; V424-F427 HydrophobicContact CG2-CE2 4.27Å; V424-F427 PolarHBondContact O-N 3.45Å
425S97.7Very high96.7Very high44 Ų4460.6 Ų60.631%0.30834%0.335SS..G310 helixtrans-59.2-25.6-171.162.90000114.5D394 F427 R428D394-S425 WeakPolarHBondContact OD1-CB 3.46Å; D394-S425 PolarHBondContact OD1-OG 3.11Å; S425-F427 VanDerWaalsContact C-N 3.28Å; S425-F427 PolarHBondContact O-N 2.95Å; S425-R428 WeakPolarHBondContact O-CB 3.33Å; S425-R428 WeakPolarHBondContact O-CG 3.46Å; S425-R428 PolarHBondContact O-N 2.69Å; S425-R428 PolarHBondContact O-NH1 2.91Å
426F98.5Very high96.8Very high1 Ų162.3 Ų62.30%0.00433%0.33CS..G310 helixtrans-59.1-38.5173.6-179.4-101.3000112.2E266 R270 L358 L362 A395 C398 V424E266-F426 HydrophobicContact CG-CE2 3.76Å; E266-F426 HydrophobicContact CG-CZ 4.49Å; R270-F426 HydrophobicContact CB-CE1 3.99Å; R270-F426 HydrophobicContact CB-CZ 3.85Å; R270-F426 HydrophobicContact CG-CE1 4.1Å; R270-F426 HydrophobicContact CG-CZ 4.39Å; R270-F426 PolarHBondContact NE-O 2.86Å; R270-F426 PolarHBondContact NH2-O 2.83Å; L358-F426 HydrophobicContact CD1-CE1 4.1Å; L358-F426 HydrophobicContact CD1-CZ 3.86Å; L358-F426 HydrophobicContact CD2-CE1 4.11Å; L358-F426 HydrophobicContact CD2-CZ 4.38Å; L362-F426 HydrophobicContact CD1-CE2 4.38Å; A395-F426 HydrophobicContact CB-CD2 3.84Å; A395-F426 HydrophobicContact CB-CE2 3.9Å; C398-F426 HydrophobicContact CB-CB 3.74Å; C398-F426 HydrophobicContact CB-CG 4.16Å; V424-F426 HydrophobicContact CG2-CB 4.26Å; V424-F426 PolarHBondContact O-N 2.86Å
427F98.4Very high96.7Very high2 Ų266.5 Ų66.51%0.00935%0.351CS..G310 helixtrans-95.79.3-179.4-62.7-69.1000113.9R270 A273 F354 I421 V424 S425 T429 V430 W432R270-F427 HydrophobicContact CG-CD1 4.19Å; A273-F427 HydrophobicContact CB-CE1 4Å; A273-F427 HydrophobicContact CB-CZ 4.22Å; F354-F427 HydrophobicContact CE1-CZ 4.24Å; F354-F427 HydrophobicContact CZ-CZ 4.06Å; I421-F427 HydrophobicContact CG1-CE2 4.1Å; I421-F427 WeakPolarHBondContact O-CD2 3.44Å; V424-F427 HydrophobicContact CG2-CD2 3.75Å; V424-F427 HydrophobicContact CG2-CE2 4.27Å; V424-F427 PolarHBondContact O-N 3.45Å; S425-F427 VanDerWaalsContact C-N 3.28Å; S425-F427 PolarHBondContact O-N 2.95Å; F427-T429 PolarHBondContact O-N 3.37Å; F427-V430 HydrophobicContact CB-CB 4.47Å; F427-V430 HydrophobicContact CB-CG2 4.12Å; F427-V430 HydrophobicContact CD1-CG2 3.99Å; F427-V430 VanDerWaalsContact O-CB 3.31Å; F427-V430 WeakPolarHBondContact O-CB 3.4Å; F427-V430 WeakPolarHBondContact O-CG2 3.45Å; F427-V430 PolarHBondContact O-N 3.18Å; F427-W432 HydrophobicContact CB-CZ2 3.76Å; F427-W432 HydrophobicContact CD1-CH2 4.06Å; F427-W432 HydrophobicContact CD1-CZ2 4.04Å; F427-W432 HydrophobicContact CD2-CZ2 4.42Å; F427-W432 HydrophobicContact CE1-CH2 4.4Å; F427-W432 HydrophobicContact CG-CH2 4.24Å; F427-W432 AromaticContact CG-CZ2 3.84Å; F427-W432 HydrophobicContact CG-CZ2 3.84Å
428R96.7Very high96.7Very high165 Ų16565.3 Ų65.362%0.62333%0.333SS*.THydrogen-bonded Turntrans-55.3-27.4-174.577.5177.4179.3-86.65.7114.9D394 S425D394-R428 IonicContact OD2-CZ 2.78Å; D394-R428 IonicContact OD2-NH1 3.76Å; D394-R428 PolarHBondContact OD2-NH1 2.78Å; S425-R428 WeakPolarHBondContact O-CB 3.33Å; S425-R428 WeakPolarHBondContact O-CG 3.46Å; S425-R428 PolarHBondContact O-N 2.69Å; S425-R428 PolarHBondContact O-NH1 2.91Å
429T96.5Very high96.9Very high90 Ų9065.3 Ų65.355%0.55233%0.334SS*.THydrogen-bonded Turntrans-92.90.9-177.8630000112.9R270 F427R270-T429 WeakPolarHBondContact CD-OG1 3.39Å; F427-T429 PolarHBondContact O-N 3.37Å
430V98.2Very high96.9Very high25 Ų2565.5 Ų65.515%0.15233%0.329CS..  trans-85.4120.8-176.8-179.80000109.6R270 S274 F427 W432 V435R270-V430 HydrophobicContact CG-CG2 3.85Å; S274-V430 WeakPolarHBondContact OG-CG2 3.37Å; F427-V430 HydrophobicContact CB-CB 4.47Å; F427-V430 HydrophobicContact CB-CG2 4.12Å; F427-V430 HydrophobicContact CD1-CG2 3.99Å; F427-V430 VanDerWaalsContact O-CB 3.31Å; F427-V430 WeakPolarHBondContact O-CB 3.4Å; F427-V430 WeakPolarHBondContact O-CG2 3.45Å; F427-V430 PolarHBondContact O-N 3.18Å; V430-W432 HydrophobicContact CB-CZ2 4.25Å; V430-W432 HydrophobicContact CG1-CD2 3.77Å; V430-W432 HydrophobicContact CG1-CE3 4.02Å; V430-W432 HydrophobicContact CG1-CG 4.24Å; V430-W432 HydrophobicContact CG1-CH2 4.21Å; V430-W432 HydrophobicContact CG1-CZ2 4.01Å; V430-W432 HydrophobicContact CG1-CZ3 4.24Å; V430-W432 PolarHBondContact O-N 3.26Å; V430-V435 HydrophobicContact CG1-CG2 3.78Å
431D97.7Very high97Very high70 Ų7068.3 Ų68.337%0.37434%0.337SS..  trans-85.692.2166.6-175.9-24.6000108.6K433 K434 V435D431-K433 PolarHBondContact O-N 2.91Å; D431-K433 PolarHBondContact OD1-N 3.07Å; D431-K434 HydrophobicContact CB-CB 4.09Å; D431-K434 HydrophobicContact CB-CD 4.08Å; D431-K434 HydrophobicContact CB-CG 4.22Å; D431-K434 PolarHBondContact O-N 3.29Å; D431-K434 VanDerWaalsContact O-N 3.09Å; D431-K434 PolarHBondContact OD1-N 2.78Å; D431-K434 VanDerWaalsContact OD1-N 3.1Å; D431-K434 WeakPolarHBondContact OD2-CD 3.3Å; D431-K434 WeakPolarHBondContact OD2-CE 3.35Å; D431-K434 WeakPolarHBondContact OD2-CG 3.19Å; D431-K434 IonicContact OD2-NZ 3.29Å; D431-V435 WeakPolarHBondContact O-CG2 3.24Å; D431-V435 PolarHBondContact O-N 3.37Å
432W97.6Very high97Very high39 Ų3969 Ų6915%0.14834%0.343CS..Hα-helixtrans-57.8-33.4-176.8-66.5103.5000112.8L277 R422 F427 V430 V435 H436L277-W432 HydrophobicContact CD2-CH2 3.75Å; L277-W432 HydrophobicContact CD2-CZ3 4.25Å; R422-W432 HydrophobicContact CB-CD2 4.34Å; R422-W432 HydrophobicContact CB-CZ2 3.74Å; R422-W432 HydrophobicContact CG-CD2 4Å; R422-W432 HydrophobicContact CG-CE3 4.25Å; R422-W432 HydrophobicContact CG-CH2 3.94Å; R422-W432 HydrophobicContact CG-CZ2 3.61Å; R422-W432 HydrophobicContact CG-CZ3 4.22Å; R422-W432 PolarHBondContact O-NE1 3.44Å; F427-W432 HydrophobicContact CB-CZ2 3.76Å; F427-W432 HydrophobicContact CD1-CH2 4.06Å; F427-W432 HydrophobicContact CD1-CZ2 4.04Å; F427-W432 HydrophobicContact CD2-CZ2 4.42Å; F427-W432 HydrophobicContact CE1-CH2 4.4Å; F427-W432 HydrophobicContact CG-CH2 4.24Å; F427-W432 AromaticContact CG-CZ2 3.84Å; F427-W432 HydrophobicContact CG-CZ2 3.84Å; V430-W432 HydrophobicContact CB-CZ2 4.25Å; V430-W432 HydrophobicContact CG1-CD2 3.77Å; V430-W432 HydrophobicContact CG1-CE3 4.02Å; V430-W432 HydrophobicContact CG1-CG 4.24Å; V430-W432 HydrophobicContact CG1-CH2 4.21Å; V430-W432 HydrophobicContact CG1-CZ2 4.01Å; V430-W432 HydrophobicContact CG1-CZ3 4.24Å; V430-W432 PolarHBondContact O-N 3.26Å; W432-V435 PolarHBondContact O-N 3.39Å; W432-H436 PolarHBondContact O-N 3.21Å; W432-H436 PolarHBondContact O-ND1 3.27Å
433K96.9Very high96.9Very high157 Ų15768.3 Ų68.368%0.68335%0.347SS*.Hα-helixtrans-65.6-43.6177.9-174178.4179.3-179.60110.6D431 V435 H436 L437D431-K433 PolarHBondContact O-N 2.91Å; D431-K433 PolarHBondContact OD1-N 3.07Å; K433-V435 VanDerWaalsContact C-N 3.35Å; K433-H436 PolarHBondContact O-N 2.69Å; K433-L437 HydrophobicContact CG-CD1 4.27Å; K433-L437 WeakPolarHBondContact O-CG 3.38Å; K433-L437 PolarHBondContact O-N 3.01Å
434K97.7Very high96.8Very high98 Ų9866.4 Ų66.443%0.42633%0.325SS..Hα-helixtrans-65.6-37.4174.7-72.5-178.9-173.7170.30112.5D431 L437 R438 Q439 T440D431-K434 HydrophobicContact CB-CB 4.09Å; D431-K434 HydrophobicContact CB-CD 4.08Å; D431-K434 HydrophobicContact CB-CG 4.22Å; D431-K434 PolarHBondContact O-N 3.29Å; D431-K434 VanDerWaalsContact O-N 3.09Å; D431-K434 PolarHBondContact OD1-N 2.78Å; D431-K434 VanDerWaalsContact OD1-N 3.1Å; D431-K434 WeakPolarHBondContact OD2-CD 3.3Å; D431-K434 WeakPolarHBondContact OD2-CE 3.35Å; D431-K434 WeakPolarHBondContact OD2-CG 3.19Å; D431-K434 IonicContact OD2-NZ 3.29Å; K434-L437 PolarHBondContact O-N 3.22Å; K434-R438 PolarHBondContact O-N 3.27Å; K434-Q439 HydrophobicContact CB-CB 4.06Å; K434-Q439 HydrophobicContact CG-CB 4.23Å; K434-Q439 PolarHBondContact O-N 2.82Å; K434-T440 HydrophobicContact CB-CG2 3.84Å
435V97.6Very high96.6Very high4 Ų472.5 Ų72.52%0.02435%0.35CS..Hα-helixtrans-59.4-54.7174.5176.10000109.6F228 E275 V430 D431 W432 K433 L437 R438 T440F228-V435 HydrophobicContact CE2-CG1 4.08Å; F228-V435 HydrophobicContact CZ-CG1 3.74Å; F228-V435 WeakPolarHBondContact CZ-O 3.48Å; E275-V435 HydrophobicContact CG-CG1 4.22Å; V430-V435 HydrophobicContact CG1-CG2 3.78Å; D431-V435 WeakPolarHBondContact O-CG2 3.24Å; D431-V435 PolarHBondContact O-N 3.37Å; W432-V435 PolarHBondContact O-N 3.39Å; K433-V435 VanDerWaalsContact C-N 3.35Å; V435-L437 PolarHBondContact O-N 3.36Å; V435-R438 WeakPolarHBondContact O-CA 3.42Å; V435-R438 PolarHBondContact O-N 3.14Å; V435-T440 HydrophobicContact CG2-CG2 3.79Å
436H94.7Very high96.5Very high82 Ų8270.9 Ų70.938%0.3834%0.339SS..Hα-helixtrans-56.9-32.1-178.6-73.163.5000113.4C278 R422 W432 K433 R438C278-H436 PolarHBondContact SG-CE1 3.42Å; R422-H436 VanDerWaalsContact CZ-CE1 3.4Å; R422-H436 PolarHBondContact NH1-CE1 2.98Å; R422-H436 PolarHBondContact NH2-CE1 2.87Å; R422-H436 PolarHBondContact NH2-NE2 2.93Å; W432-H436 PolarHBondContact O-N 3.21Å; W432-H436 PolarHBondContact O-ND1 3.27Å; K433-H436 PolarHBondContact O-N 2.69Å; H436-R438 VanDerWaalsContact C-N 3.33Å
437L94.9Very high96.3Very high99 Ų9976.9 Ų76.952%0.51837%0.37SS..THydrogen-bonded Turntrans-88.75.1178.5-63.6175000113.7K433 K434 V435 Q439K433-L437 HydrophobicContact CG-CD1 4.27Å; K433-L437 WeakPolarHBondContact O-CG 3.38Å; K433-L437 PolarHBondContact O-N 3.01Å; K434-L437 PolarHBondContact O-N 3.22Å; V435-L437 PolarHBondContact O-N 3.36Å; L437-Q439 HydrophobicContact CB-CG 3.84Å; L437-Q439 PolarHBondContact O-N 3.42Å
438R95.7Very high96.1Very high78 Ų7879.1 Ų79.129%0.29438%0.383SS..THydrogen-bonded Turntrans51.138.8-173.2-72.4-174.951.1176.5-5113.7P227 F228 D301 H305 H307 K434 V435 H436P227-R438 HydrophobicContact CB-CG 4.05Å; P227-R438 HydrophobicContact CG-CG 4.32Å; F228-R438 HydrophobicContact CE1-CG 3.92Å; F228-R438 HydrophobicContact CZ-CG 4.11Å; D301-R438 IonicContact OD2-CZ 3.22Å; D301-R438 VanDerWaalsContact OD2-CZ 3.22Å; D301-R438 IonicContact OD2-NH1 3.23Å; D301-R438 PolarHBondContact OD2-NH1 2.79Å; D301-R438 IonicContact OD2-NH2 2.62Å; D301-R438 PolarHBondContact OD2-NH2 3.4Å; H305-R438 PolarHBondContact CD2-NH2 2.92Å; H307-R438 PolarHBondContact NE2-NH1 2.89Å; K434-R438 PolarHBondContact O-N 3.27Å; V435-R438 WeakPolarHBondContact O-CA 3.42Å; V435-R438 PolarHBondContact O-N 3.14Å; H436-R438 VanDerWaalsContact C-N 3.33Å
439Q96.7Very high95.9Very high122 Ų12281.3 Ų81.357%0.5739%0.391SS*.  trans-96.7-5.3178.7-67.1178.6-11.200113K434 L437K434-Q439 HydrophobicContact CB-CB 4.06Å; K434-Q439 HydrophobicContact CG-CB 4.23Å; K434-Q439 PolarHBondContact O-N 2.82Å; L437-Q439 HydrophobicContact CB-CG 3.84Å; L437-Q439 PolarHBondContact O-N 3.42Å
440T96Very high95.8Very high30 Ų3079.7 Ų79.718%0.18438%0.384CS..SBendtrans-80.4127.5171.746.60000110.1H305 K434 V435 P442H305-T440 PolarHBondContact CE1-O 3.45Å; H305-T440 VanDerWaalsContact CE1-O 3.25Å; K434-T440 HydrophobicContact CB-CG2 3.84Å; V435-T440 HydrophobicContact CG2-CG2 3.79Å; T440-P442 WeakPolarHBondContact O-CD 3.43Å
441I96.4Very high95.4Very high156 Ų15681.2 Ų81.280%0.840%0.399SS*.PPolyproline II helixtrans-71.5125.2-179.8-59.2172.1000109.5
442P97.4Very high95.1Very high22 Ų2280.6 Ų80.614%0.14340%0.398CS..PPolyproline II helixtrans-58142.9174.8-27.937.2000113.1F271 E303 H305 T440 F444F271-P442 HydrophobicContact CE1-CB 4.14Å; F271-P442 HydrophobicContact CE1-CG 4.44Å; F271-P442 VanDerWaalsContact CZ-CA 3.48Å; F271-P442 HydrophobicContact CZ-CB 3.93Å; F271-P442 HydrophobicContact CZ-CG 3.88Å; E303-P442 WeakPolarHBondContact O-CG 3.47Å; H305-P442 WeakPolarHBondContact NE2-CG 3.5Å; T440-P442 WeakPolarHBondContact O-CD 3.43Å; P442-F444 PolarHBondContact O-N 3.4Å
443P95.9Very high95Very high59 Ų5979.6 Ų79.638%0.38340%0.395SS..SBendtrans-67.7-20.9-176.527.1-35.2000113.1T268 F271 Y272T268-P443 HydrophobicContact CG2-CB 4.14Å; T268-P443 HydrophobicContact CG2-CG 3.77Å; F271-P443 HydrophobicContact CB-CG 4.26Å; F271-P443 HydrophobicContact CD1-CG 3.97Å; F271-P443 HydrophobicContact CG-CG 4.15Å; Y272-P443 HydrophobicContact CE2-CG 3.97Å
444F94Very high94.8Very high35 Ų3573.1 Ų73.115%0.15437%0.369CS..  trans-150.9150.1167.167.6-88.4000110.1H257 K261 Y272 L300 P442 P446H257-F444 HydrophobicContact CB-CZ 3.93Å; H257-F444 AromaticContact CE1-CE2 3.78Å; H257-F444 AromaticContact CG-CE2 3.84Å; H257-F444 AromaticContact CG-CZ 3.66Å; H257-F444 AromaticContact ND1-CE2 3.49Å; H257-F444 WeakPolarHBondContact ND1-CE2 3.39Å; H257-F444 AromaticContact ND1-CZ 3.78Å; K261-F444 VanDerWaalsContact NZ-CG 3.29Å; Y272-F444 HydrophobicContact CE2-CD1 4.41Å; Y272-F444 AromaticContact CE2-CE1 3.7Å; Y272-F444 HydrophobicContact CE2-CE1 3.7Å; Y272-F444 HydrophobicContact CE2-CZ 4.41Å; Y272-F444 AromaticContact CZ-CE1 3.71Å; Y272-F444 WeakPolarHBondContact OH-CD1 3.04Å; Y272-F444 WeakPolarHBondContact OH-CE1 3.38Å; Y272-F444 VanDerWaalsContact OH-CZ 3.3Å; Y272-F444 WeakPolarHBondContact OH-CZ 3.47Å; L300-F444 HydrophobicContact CD1-CE2 3.78Å; L300-F444 HydrophobicContact CD1-CZ 3.64Å; P442-F444 PolarHBondContact O-N 3.4Å; F444-P446 HydrophobicContact CE2-CG 4.42Å
445K94.5Very high94.6Very high145 Ų14570.6 Ų70.663%0.6336%0.363SS*.  trans-99.8124.7172.1-170.6174.3-176.1173.40109A302A302-K445 WeakPolarHBondContact O-CE 3.2Å; A302-K445 VanDerWaalsContact O-CG 3.32Å; A302-K445 WeakPolarHBondContact O-CG 3.26Å
446P94.8Very high94.5Very high9 Ų971 Ų716%0.05837%0.365CS..  trans-58.2147.9173.7-23.534000111.5L300 F444 V448L300-P446 HydrophobicContact CB-CG 4.14Å; L300-P446 HydrophobicContact CD1-CG 4.13Å; F444-P446 HydrophobicContact CE2-CG 4.42Å; P446-V448 HydrophobicContact CB-CG2 4.35Å; P446-V448 PolarHBondContact O-N 3.43Å
447I94.8Very high94.4Very high128 Ų12867.8 Ų67.866%0.65635%0.351SS*.  trans-80.7115.5175.2-59.7174.3000107.1N456I447-N456 PolarHBondContact O-ND2 3.43Å
448V94.1Very high94.2Very high48 Ų4866 Ų6629%0.29134%0.342SS..  trans-129.9114.2179.3-178.10000108.3P250 P446 S450 D453P250-V448 HydrophobicContact CB-CG1 3.76Å; P250-V448 HydrophobicContact CB-CG2 3.93Å; P250-V448 HydrophobicContact CG-CG1 4.06Å; P250-V448 HydrophobicContact CG-CG2 4.08Å; P446-V448 HydrophobicContact CB-CG2 4.35Å; P446-V448 PolarHBondContact O-N 3.43Å; V448-S450 WeakPolarHBondContact CG1-O 3.44Å; V448-D453 WeakPolarHBondContact CA-OD2 3.46Å; V448-D453 HydrophobicContact CG1-CB 4.15Å
449R92.9Very high93.9Very high212 Ų21267.9 Ų67.980%0.836%0.357SS*.  trans-87.3-28.1-172.2-60.7178.4-175.7-174.72.3113.6D453R449-D453 HydrophobicContact CB-CB 4.44Å; R449-D453 WeakPolarHBondContact CB-OD2 3.48Å; R449-D453 PolarHBondContact N-OD2 2.88Å
450S93.2Very high93.4Very high56 Ų5664.3 Ų64.339%0.39234%0.342SS..SBendtrans-157.4170.318071.80000110.5V448 T452 D453V448-S450 WeakPolarHBondContact CG1-O 3.44Å; S450-T452 PolarHBondContact O-N 3.34Å; S450-T452 VanDerWaalsContact O-N 3.15Å; S450-T452 PolarHBondContact OG-N 2.66Å; S450-T452 PolarHBondContact OG-OG1 3.38Å; S450-D453 VanDerWaalsContact O-CB 3.27Å; S450-D453 WeakPolarHBondContact O-CB 3.42Å; S450-D453 PolarHBondContact O-N 3.44Å; S450-D453 VanDerWaalsContact O-N 3.09Å; S450-D453 PolarHBondContact OG-N 3.35Å
451A90.6Very high93.1Very high57 Ų5765.3 Ų65.347%0.47134%0.344SS..THydrogen-bonded Turntrans-65.7-12.1176.800000114Y193Y193-A451 HydrophobicContact CD2-CB 3.56Å; Y193-A451 HydrophobicContact CE2-CB 3.5Å; Y193-A451 VanDerWaalsContact CE2-CB 3.5Å
452T91.9Very high92.8Very high56 Ų5658.3 Ų58.334%0.34431%0.308SS..THydrogen-bonded Turntrans-110.311.2176.162.30000112.6L171 Y193 S450 V454L171-T452 HydrophobicContact CD1-CG2 3.99Å; Y193-T452 HydrophobicContact CD1-CG2 3.75Å; Y193-T452 HydrophobicContact CE1-CG2 3.18Å; Y193-T452 HydrophobicContact CE2-CG2 4.17Å; Y193-T452 HydrophobicContact CG-CG2 4.42Å; S450-T452 PolarHBondContact O-N 3.34Å; S450-T452 VanDerWaalsContact O-N 3.15Å; S450-T452 PolarHBondContact OG-N 2.66Å; S450-T452 PolarHBondContact OG-OG1 3.38Å; T452-V454 PolarHBondContact O-N 2.94Å
453D93.5Very high92.4Very high18 Ų1861.6 Ų61.610%0.09633%0.332CS..  trans-72.4116.4-174.3-176.511.4000111.3Y248 V448 R449 S450 S455Y248-D453 PolarHBondContact OH-O 3.18Å; V448-D453 WeakPolarHBondContact CA-OD2 3.46Å; V448-D453 HydrophobicContact CG1-CB 4.15Å; R449-D453 HydrophobicContact CB-CB 4.44Å; R449-D453 WeakPolarHBondContact CB-OD2 3.48Å; R449-D453 PolarHBondContact N-OD2 2.88Å; S450-D453 VanDerWaalsContact O-CB 3.27Å; S450-D453 WeakPolarHBondContact O-CB 3.42Å; S450-D453 PolarHBondContact O-N 3.44Å; S450-D453 VanDerWaalsContact O-N 3.09Å; S450-D453 PolarHBondContact OG-N 3.35Å; D453-S455 VanDerWaalsContact CG-OG 3.26Å; D453-S455 WeakPolarHBondContact OD1-CB 3.28Å; D453-S455 PolarHBondContact OD1-N 3.38Å; D453-S455 PolarHBondContact OD1-OG 3.37Å; D453-S455 PolarHBondContact OD2-OG 3.17Å; D453-S455 VanDerWaalsContact OD2-OG 3.06Å
454V93.9Very high92.1Very high21 Ų2162.4 Ų62.413%0.12733%0.331CS..  trans-105.715.8178.9-62.70000112.9K172 L174 L184 T452 N456 F457 T462K172-V454 HydrophobicContact CB-CG1 4.17Å; K172-V454 HydrophobicContact CG-CB 4.46Å; K172-V454 HydrophobicContact CG-CG1 4.02Å; K172-V454 HydrophobicContact CG-CG2 4Å; L174-V454 HydrophobicContact CD2-CB 4.46Å; L174-V454 HydrophobicContact CD2-CG1 3.66Å; L184-V454 HydrophobicContact CD2-CG1 3.87Å; T452-V454 PolarHBondContact O-N 2.94Å; V454-N456 PolarHBondContact O-N 3.15Å; V454-N456 VanDerWaalsContact O-N 3.14Å; V454-F457 HydrophobicContact CB-CD2 4.04Å; V454-F457 HydrophobicContact CG1-CD2 4.45Å; V454-F457 WeakPolarHBondContact O-CB 3.4Å; V454-F457 PolarHBondContact O-N 2.61Å; V454-T462 HydrophobicContact CB-CG2 3.84Å; V454-T462 HydrophobicContact CG2-CG2 3.82Å
455S94.2Very high91.7Very high45 Ų4567.8 Ų67.832%0.31536%0.356SS..THydrogen-bonded Turntrans-66.2-14.2-17560.10000115.4Y256 D453Y256-S455 PolarHBondContact OH-O 2.91Å; D453-S455 VanDerWaalsContact CG-OG 3.26Å; D453-S455 WeakPolarHBondContact OD1-CB 3.28Å; D453-S455 PolarHBondContact OD1-N 3.38Å; D453-S455 PolarHBondContact OD1-OG 3.37Å; D453-S455 PolarHBondContact OD2-OG 3.17Å; D453-S455 VanDerWaalsContact OD2-OG 3.06Å
456N94.9Very high91.3Very high12 Ų1262 Ų626%0.06433%0.334CS..THydrogen-bonded Turntrans-94.17.6172.8-56.5-64.1000113.2P250 G251 Y256 I447 V454P250-N456 PolarHBondContact O-ND2 2.99Å; G251-N456 WeakPolarHBondContact O-CB 3.46Å; Y256-N456 HydrophobicContact CE1-CB 4.31Å; I447-N456 PolarHBondContact O-ND2 3.43Å; V454-N456 PolarHBondContact O-N 3.15Å; V454-N456 VanDerWaalsContact O-N 3.14Å
457F93.1Very high91Very high16 Ų1665.2 Ų65.27%0.0735%0.354CS..SBendtrans-106.8161.4175.5-65.2-96.9000110.4L174 Y248 F249 V454 D459 T462L174-F457 HydrophobicContact CB-CD1 4.03Å; L174-F457 HydrophobicContact CB-CE1 4.02Å; L174-F457 HydrophobicContact CD1-CE1 4.29Å; L174-F457 HydrophobicContact CD1-CZ 4.37Å; L174-F457 HydrophobicContact CD2-CD1 3.97Å; L174-F457 HydrophobicContact CD2-CD2 4.12Å; L174-F457 HydrophobicContact CD2-CE1 3.96Å; L174-F457 HydrophobicContact CD2-CE2 4.11Å; L174-F457 HydrophobicContact CD2-CG 4.05Å; L174-F457 HydrophobicContact CD2-CZ 4.03Å; L174-F457 HydrophobicContact CG-CE1 4.31Å; Y248-F457 HydrophobicContact CD2-CZ 4.48Å; Y248-F457 AromaticContact CE2-CE2 3.77Å; Y248-F457 HydrophobicContact CE2-CE2 3.77Å; Y248-F457 AromaticContact CE2-CZ 3.63Å; Y248-F457 HydrophobicContact CE2-CZ 3.63Å; F249-F457 VanDerWaalsContact O-CZ 3.31Å; F249-F457 WeakPolarHBondContact O-CZ 3.47Å; V454-F457 HydrophobicContact CB-CD2 4.04Å; V454-F457 HydrophobicContact CG1-CD2 4.45Å; V454-F457 WeakPolarHBondContact O-CB 3.4Å; V454-F457 PolarHBondContact O-N 2.61Å; F457-D459 PolarHBondContact O-N 2.83Å; F457-T462 HydrophobicContact CB-CG2 3.69Å
458D89.5Confident90.8Very high62 Ų6260.8 Ų60.833%0.33233%0.331SS..  trans-64.4127.6177.8-165.8-33.1000111.5D460 F461 T462D458-D460 PolarHBondContact O-N 3.26Å; D458-D460 WeakPolarHBondContact OD1-CB 3.31Å; D458-D460 PolarHBondContact OD1-N 3.01Å; D458-F461 HydrophobicContact CB-CD2 3.65Å; D458-F461 HydrophobicContact CB-CE2 3.92Å; D458-F461 PolarHBondContact O-N 2.78Å; D458-F461 VanDerWaalsContact O-N 3.13Å; D458-T462 WeakPolarHBondContact O-CG2 3.16Å; D458-T462 PolarHBondContact O-N 2.99Å
459D89.2Confident90.5Very high116 Ų11662 Ų6262%0.6234%0.338SS*.Hα-helixtrans-60.9-27.3179.5-74.1-24.9000112.5F457 F461 T462 S463F457-D459 PolarHBondContact O-N 2.83Å; D459-F461 VanDerWaalsContact C-N 3.3Å; D459-F461 PolarHBondContact O-N 3.46Å; D459-T462 WeakPolarHBondContact CA-OG1 3.41Å; D459-S463 WeakPolarHBondContact O-CB 3.4Å; D459-S463 PolarHBondContact O-N 2.88Å; D459-S463 PolarHBondContact O-OG 3.37Å
460D86.4Confident90Very high48 Ų4857.2 Ų57.226%0.25734%0.335SS..Hα-helixtrans-63.8-37.4176.3-80.5-22.3000111.8K20 D458 S463K20-D460 VanDerWaalsContact C-OD2 3.24Å; K20-D460 WeakPolarHBondContact CB-OD2 3.49Å; K20-D460 WeakPolarHBondContact CD-OD1 3.38Å; D458-D460 PolarHBondContact O-N 3.26Å; D458-D460 WeakPolarHBondContact OD1-CB 3.31Å; D458-D460 PolarHBondContact OD1-N 3.01Å; D460-S463 PolarHBondContact O-OG 2.93Å
461F89.5Confident89.6Confident51 Ų5155.8 Ų55.822%0.22432%0.323CS..Hα-helixtrans-79.2-48.8175.2-56.8-49.4000110.6L173 K176 D458 D459 S463 E464L173-F461 WeakPolarHBondContact CB-O 3.36Å; L173-F461 HydrophobicContact CD2-CB 4.39Å; L173-F461 HydrophobicContact CG-CB 4.33Å; L173-F461 CarbonylContact O-C 3.41Å; K176-F461 HydrophobicContact CB-CD1 4.4Å; K176-F461 HydrophobicContact CB-CE1 4.24Å; D458-F461 HydrophobicContact CB-CD2 3.65Å; D458-F461 HydrophobicContact CB-CE2 3.92Å; D458-F461 PolarHBondContact O-N 2.78Å; D458-F461 VanDerWaalsContact O-N 3.13Å; D459-F461 VanDerWaalsContact C-N 3.3Å; D459-F461 PolarHBondContact O-N 3.46Å; F461-S463 PolarHBondContact O-N 3.44Å; F461-E464 WeakPolarHBondContact O-CB 3.49Å; F461-E464 PolarHBondContact O-N 3.32Å
462T90.4Very high89.4Confident8 Ų857.6 Ų57.65%0.04933%0.325CS..Hα-helixtrans-66.6-26.4-172.871.40000111.3K172 L173 V454 F457 D458 D459K172-T462 WeakPolarHBondContact CD-O 3.49Å; K172-T462 WeakPolarHBondContact CE-O 3.4Å; K172-T462 HydrophobicContact CG-CG2 4.36Å; K172-T462 PolarHBondContact NZ-O 2.93Å; L173-T462 WeakPolarHBondContact O-CA 3.48Å; L173-T462 PolarHBondContact O-N 3.26Å; V454-T462 HydrophobicContact CB-CG2 3.84Å; V454-T462 HydrophobicContact CG2-CG2 3.82Å; F457-T462 HydrophobicContact CB-CG2 3.69Å; D458-T462 WeakPolarHBondContact O-CG2 3.16Å; D458-T462 PolarHBondContact O-N 2.99Å; D459-T462 WeakPolarHBondContact CA-OG1 3.41Å
463S89.4Confident89.2Confident92 Ų9262.3 Ų62.364%0.64334%0.343SS*.THydrogen-bonded Turntrans-75.7-18.3173.8640000114.9D459 D460 F461D459-S463 WeakPolarHBondContact O-CB 3.4Å; D459-S463 PolarHBondContact O-N 2.88Å; D459-S463 PolarHBondContact O-OG 3.37Å; D460-S463 PolarHBondContact O-OG 2.93Å; F461-S463 PolarHBondContact O-N 3.44Å
464E89.2Confident88.9Confident75 Ų7568.8 Ų68.835%0.3537%0.373SS..SBendtrans-71149176.3-165.4-176.613300111.3L173 K181 F461 S466L173-E464 HydrophobicContact CD2-CB 3.8Å; L173-E464 HydrophobicContact CD2-CG 4.13Å; K181-E464 IonicContact NZ-OE1 3.68Å; K181-E464 PolarHBondContact NZ-OE1 3.24Å; F461-E464 WeakPolarHBondContact O-CB 3.49Å; F461-E464 PolarHBondContact O-N 3.32Å; E464-S466 PolarHBondContact O-N 3.3Å
465Q86.1Confident88.5Confident149 Ų14969.7 Ų69.770%0.69638%0.377SS*.  trans-64.2132.7171.5-72.8-171.6-4.400111.4T467Q465-T467 PolarHBondContact O-N 3.41Å
466S86.4Confident88.3Confident22 Ų2269.6 Ų69.615%0.15437%0.372CS..  trans-80.348178.458.80000112.9M170 E464M170-S466 PolarHBondContact O-OG 2.77Å; M170-S466 VanDerWaalsContact SD-O 3.4Å; E464-S466 PolarHBondContact O-N 3.3Å
467T87.3Confident88Confident78 Ų7877 Ų7748%0.47941%0.406SS..  trans-104.4143.9178.255.40000111.7K181 Q465K181-T467 PolarHBondContact NZ-O 3.1Å; Q465-T467 PolarHBondContact O-N 3.41Å
468L90.4Very high87.9Confident34 Ų3479.6 Ų79.618%0.17843%0.426CS..PPolyproline II helixtrans-84.9134.6169.7-62.6-177.4000109.4I165 M170 I183 C198 Y241 F243I165-L468 HydrophobicContact CD1-CD1 3.45Å; I165-L468 VanDerWaalsContact CD1-CD1 3.45Å; M170-L468 HydrophobicContact CE-CD1 3.66Å; M170-L468 HydrophobicContact CE-CG 3.86Å; M170-L468 HydrophobicContact SD-CG 4.23Å; I183-L468 HydrophobicContact CD1-CD2 3.84Å; C198-L468 HydrophobicContact CB-CD2 3.72Å; Y241-L468 HydrophobicContact CD2-CD1 4.32Å; Y241-L468 HydrophobicContact CE1-CD1 4.46Å; Y241-L468 HydrophobicContact CE1-CD2 4.24Å; Y241-L468 HydrophobicContact CE2-CB 4.21Å; Y241-L468 HydrophobicContact CE2-CD1 4.27Å; F243-L468 HydrophobicContact CE1-CD1 3.73Å; F243-L468 HydrophobicContact CZ-CD1 4.05Å
469T87.8Confident87.8Confident73 Ų7377.1 Ų77.145%0.44841%0.413SS..PPolyproline II helixtrans-74.7122.8177.7-48.50000108.7Y241Y241-T469 PolarHBondContact OH-N 3.31Å; Y241-T469 PolarHBondContact OH-O 3.21Å
470P83.8Confident87.9Confident112 Ų11275 Ų7573%0.72740%0.402SS*.PPolyproline II helixtrans-58.8148.117424.5-31.7000110.1
471L83.9Confident88.2Confident26 Ų2676.1 Ų76.114%0.13641%0.406CS..PPolyproline II helixtrans-88.9145172.2-162.271.4000108.7D202 E240 L475 L476 I479D202-L471 HydrophobicContact CB-CD1 4.43Å; D202-L471 HydrophobicContact CB-CD2 4.39Å; E240-L471 HydrophobicContact CB-CB 4.13Å; E240-L471 HydrophobicContact CG-CB 4.04Å; L471-L475 HydrophobicContact CD1-CB 4.21Å; L471-L475 HydrophobicContact CD1-CD1 4.22Å; L471-L475 HydrophobicContact CD2-CB 3.95Å; L471-L475 HydrophobicContact CG-CB 3.84Å; L471-L476 HydrophobicContact CD2-CB 4.18Å; L471-L476 HydrophobicContact CD2-CD1 4.29Å; L471-I479 HydrophobicContact CD2-CD1 3.46Å; L471-I479 VanDerWaalsContact CD2-CD1 3.46Å
472D86.4Confident88.4Confident95 Ų9581.2 Ų81.251%0.50843%0.43SS..PPolyproline II helixtrans-61.3141.8171.8-169.5-73.7000110Q474 L475 L476D472-Q474 VanDerWaalsContact C-N 3.26Å; D472-Q474 PolarHBondContact O-N 3.35Å; D472-Q474 WeakPolarHBondContact OD1-CB 3.34Å; D472-Q474 PolarHBondContact OD1-N 2.6Å; D472-L475 HydrophobicContact CB-CB 4.41Å; D472-L475 HydrophobicContact CB-CD1 4.17Å; D472-L475 PolarHBondContact O-N 3.4Å; D472-L475 VanDerWaalsContact O-N 3.15Å; D472-L476 PolarHBondContact O-N 3.44Å
473E87.9Confident88.4Confident156 Ų15685 Ų8573%0.72945%0.447SS*.Hα-helixtrans-57.2-38.5-179-73.4-178.7170.400112L475 L476 E477E473-L475 PolarHBondContact O-N 3.37Å; E473-L476 WeakPolarHBondContact O-CB 3.46Å; E473-L476 PolarHBondContact O-N 3.11Å; E473-E477 WeakPolarHBondContact O-CG 3.1Å; E473-E477 PolarHBondContact O-N 3.3Å
474Q87.8Confident88.6Confident154 Ų15480.7 Ų80.772%0.7242%0.417SS*.Hα-helixtrans-65.6-40.6178.8-67.1-174.4-1400112D472 L476 S478D472-Q474 VanDerWaalsContact C-N 3.26Å; D472-Q474 PolarHBondContact O-N 3.35Å; D472-Q474 WeakPolarHBondContact OD1-CB 3.34Å; D472-Q474 PolarHBondContact OD1-N 2.6Å; Q474-L476 VanDerWaalsContact C-N 3.33Å; Q474-S478 PolarHBondContact O-N 2.98Å
475L85.5Confident88.6Confident40 Ų4080.1 Ų80.121%0.20942%0.421CS..Hα-helixtrans-66.5-40.1175.3-79.9165.9000110.4L471 D472 E473 E477 S478 I479L471-L475 HydrophobicContact CD1-CB 4.21Å; L471-L475 HydrophobicContact CD1-CD1 4.22Å; L471-L475 HydrophobicContact CD2-CB 3.95Å; L471-L475 HydrophobicContact CG-CB 3.84Å; D472-L475 HydrophobicContact CB-CB 4.41Å; D472-L475 HydrophobicContact CB-CD1 4.17Å; D472-L475 PolarHBondContact O-N 3.4Å; D472-L475 VanDerWaalsContact O-N 3.15Å; E473-L475 PolarHBondContact O-N 3.37Å; L475-E477 PolarHBondContact O-N 3.48Å; L475-S478 PolarHBondContact O-N 3Å; L475-S478 PolarHBondContact O-OG 3.16Å; L475-I479 WeakPolarHBondContact O-CG1 3.32Å; L475-I479 PolarHBondContact O-N 3.26Å
476L89Confident88.8Confident43 Ų4379.3 Ų79.323%0.22542%0.422CS..Hα-helixtrans-62-43.3179.3-174.456.6000112.7P239 E240 L471 D472 E473 Q474 S478 I479P239-L476 HydrophobicContact CB-CD1 3.75Å; P239-L476 HydrophobicContact CB-CD2 4.29Å; P239-L476 HydrophobicContact CB-CG 4.46Å; P239-L476 WeakPolarHBondContact O-CD1 3.3Å; E240-L476 HydrophobicContact CB-CD1 4.34Å; E240-L476 HydrophobicContact CG-CD1 3.84Å; E240-L476 HydrophobicContact CG-CD2 4.28Å; L471-L476 HydrophobicContact CD2-CB 4.18Å; L471-L476 HydrophobicContact CD2-CD1 4.29Å; D472-L476 PolarHBondContact O-N 3.44Å; E473-L476 WeakPolarHBondContact O-CB 3.46Å; E473-L476 PolarHBondContact O-N 3.11Å; Q474-L476 VanDerWaalsContact C-N 3.33Å; L476-S478 PolarHBondContact O-N 2.95Å; L476-I479 HydrophobicContact CD1-CD1 4.07Å; L476-I479 PolarHBondContact O-N 3.01Å
477E89.9Confident89Confident167 Ų16778.3 Ų78.378%0.7841%0.414SS*.Hα-helixtrans-64.5-28.7176.2-72.2178.4176.800112.7E473 L475 I479E473-E477 WeakPolarHBondContact O-CG 3.1Å; E473-E477 PolarHBondContact O-N 3.3Å; L475-E477 PolarHBondContact O-N 3.48Å; E477-I479 VanDerWaalsContact C-N 3.32Å
478S89.3Confident89.3Confident70 Ų7077.1 Ų77.149%0.4941%0.407SS..THydrogen-bonded Turntrans-78.7-10.5177.973.90000114.7Q67 Q474 L475 L476 D480Q67-S478 PolarHBondContact NE2-OG 2.88Å; Q474-S478 PolarHBondContact O-N 2.98Å; L475-S478 PolarHBondContact O-N 3Å; L475-S478 PolarHBondContact O-OG 3.16Å; L476-S478 PolarHBondContact O-N 2.95Å; S478-D480 PolarHBondContact O-N 2.87Å
479I89.1Confident89.3Confident11 Ų1177.7 Ų77.76%0.05641%0.408CS..SBendtrans-75.9116.9-179.5-68.8169.1000109.9K201 D202 L205 L471 L475 L476 E477 Q481 F484K201-I479 HydrophobicContact CB-CD1 3.93Å; K201-I479 HydrophobicContact CB-CG2 4Å; K201-I479 HydrophobicContact CD-CG2 4.19Å; D202-I479 HydrophobicContact CB-CD1 4.21Å; D202-I479 HydrophobicContact CB-CG1 4.35Å; L205-I479 HydrophobicContact CD1-CB 4.25Å; L205-I479 HydrophobicContact CD1-CG1 4.28Å; L205-I479 HydrophobicContact CD1-CG2 3.79Å; L471-I479 HydrophobicContact CD2-CD1 3.46Å; L471-I479 VanDerWaalsContact CD2-CD1 3.46Å; L475-I479 WeakPolarHBondContact O-CG1 3.32Å; L475-I479 PolarHBondContact O-N 3.26Å; L476-I479 HydrophobicContact CD1-CD1 4.07Å; L476-I479 PolarHBondContact O-N 3.01Å; E477-I479 VanDerWaalsContact C-N 3.32Å; I479-Q481 VanDerWaalsContact CG2-NE2 3.3Å; I479-Q481 PolarHBondContact O-N 2.63Å; I479-F484 HydrophobicContact CG2-CE2 4.33Å
480D90.9Very high89.4Confident71 Ų7176 Ų7638%0.3840%0.397SS..  trans-67.3100166.2-178.51.6000110.2S478 E482 Q483S478-D480 PolarHBondContact O-N 2.87Å; D480-E482 VanDerWaalsContact C-N 3.27Å; D480-E482 PolarHBondContact O-N 2.96Å; D480-E482 WeakPolarHBondContact OD1-CB 3.47Å; D480-E482 PolarHBondContact OD1-N 3.21Å; D480-Q483 HydrophobicContact CB-CG 3.96Å; D480-Q483 WeakPolarHBondContact OD2-CG 3.29Å; D480-Q483 PolarHBondContact OD2-NE2 2.98Å
481Q92.4Very high89.3Confident72 Ų7270.9 Ų70.934%0.33636%0.364SS..G310 helixtrans-69.5-22.8-177.9-62.5-66.1-29.300112.9P239 I479 Q483 F484P239-Q481 PolarHBondContact O-NE2 3.18Å; I479-Q481 VanDerWaalsContact CG2-NE2 3.3Å; I479-Q481 PolarHBondContact O-N 2.63Å; Q481-Q483 VanDerWaalsContact C-N 3.29Å; Q481-Q483 PolarHBondContact O-N 2.75Å; Q481-F484 PolarHBondContact O-N 3.28Å
482E92.7Very high88.6Confident158 Ų15875 Ų7574%0.73839%0.394SS*.G310 helixtrans-71.2-27-177.3-65.3-165.4165.300112.2D480 F484 S485D480-E482 VanDerWaalsContact C-N 3.27Å; D480-E482 PolarHBondContact O-N 2.96Å; D480-E482 WeakPolarHBondContact OD1-CB 3.47Å; D480-E482 PolarHBondContact OD1-N 3.21Å; E482-F484 PolarHBondContact O-N 3.18Å; E482-F484 VanDerWaalsContact O-N 3.15Å; E482-S485 WeakPolarHBondContact O-CB 3.45Å; E482-S485 PolarHBondContact O-N 2.88Å; E482-S485 PolarHBondContact O-OG 2.86Å
483Q91.4Very high87.5Confident88 Ų8878 Ų7841%0.41141%0.405SS..G310 helixtrans-57.6-27.4173.1-60.5-62.2-41.700112.7L205 I210 F214 D480 Q481L205-Q483 HydrophobicContact CD2-CB 4.27Å; L205-Q483 HydrophobicContact CD2-CG 4.04Å; I210-Q483 HydrophobicContact CD1-CB 3.85Å; I210-Q483 HydrophobicContact CD1-CG 3.98Å; F214-Q483 WeakPolarHBondContact CE2-O 3.49Å; D480-Q483 HydrophobicContact CB-CG 3.96Å; D480-Q483 WeakPolarHBondContact OD2-CG 3.29Å; D480-Q483 PolarHBondContact OD2-NE2 2.98Å; Q481-Q483 VanDerWaalsContact C-N 3.29Å; Q481-Q483 PolarHBondContact O-N 2.75Å
484F93.2Very high86.3Confident0 Ų071.3 Ų71.30%038%0.375CS..G310 helixtrans-97.511.5179.2-59.2-82.4000113K201 I204 L205 Q237 V242 I479 Q481 E482 F487K201-F484 HydrophobicContact CB-CE2 3.79Å; K201-F484 HydrophobicContact CB-CZ 3.79Å; K201-F484 HydrophobicContact CD-CD2 3.83Å; K201-F484 HydrophobicContact CD-CE2 3.91Å; K201-F484 HydrophobicContact CD-CG 4.22Å; K201-F484 HydrophobicContact CD-CZ 4.38Å; K201-F484 HydrophobicContact CG-CD1 4.31Å; K201-F484 HydrophobicContact CG-CD2 4.02Å; K201-F484 HydrophobicContact CG-CE1 3.99Å; K201-F484 HydrophobicContact CG-CE2 3.68Å; K201-F484 HydrophobicContact CG-CG 4.32Å; K201-F484 HydrophobicContact CG-CZ 3.66Å; I204-F484 HydrophobicContact CB-CE1 4.38Å; I204-F484 HydrophobicContact CB-CZ 4.25Å; I204-F484 HydrophobicContact CD1-CE1 4.08Å; I204-F484 HydrophobicContact CG2-CE1 4.02Å; I204-F484 HydrophobicContact CG2-CZ 4.11Å; L205-F484 HydrophobicContact CD1-CE2 4.06Å; L205-F484 HydrophobicContact CD2-CE2 4.17Å; L205-F484 HydrophobicContact CD2-CZ 4.36Å; L205-F484 HydrophobicContact CG-CE2 3.97Å; L205-F484 HydrophobicContact CG-CZ 4.05Å; Q237-F484 PolarHBondContact NE2-O 3.45Å; V242-F484 HydrophobicContact CG1-CD1 3.63Å; V242-F484 HydrophobicContact CG1-CE1 4.08Å; V242-F484 HydrophobicContact CG1-CG 4.31Å; I479-F484 HydrophobicContact CG2-CE2 4.33Å; Q481-F484 PolarHBondContact O-N 3.28Å; E482-F484 PolarHBondContact O-N 3.18Å; E482-F484 VanDerWaalsContact O-N 3.15Å; F484-F487 VanDerWaalsContact O-CB 3.27Å; F484-F487 WeakPolarHBondContact O-CB 3.46Å; F484-F487 PolarHBondContact O-N 3.14Å
485S90Very high84.7Confident64 Ų6467.2 Ų67.245%0.44836%0.363SS..THydrogen-bonded Turntrans-57.4145.4173.264.60000110.8F214 E482 F487F214-S485 WeakPolarHBondContact CE1-O 3.4Å; F214-S485 WeakPolarHBondContact CZ-O 3.47Å; E482-S485 WeakPolarHBondContact O-CB 3.45Å; E482-S485 PolarHBondContact O-N 2.88Å; E482-S485 PolarHBondContact O-OG 2.86Å; S485-F487 PolarHBondContact O-N 2.88Å; S485-F487 VanDerWaalsContact O-N 3.07Å
486N89.5Confident83.2Confident132 Ų13268.1 Ų68.171%0.70636%0.364SS*.THydrogen-bonded Turntrans62.88.8-177.1-51.1-53.1000116.5R217 T488R217-N486 PolarHBondContact NH1-O 3.4Å; N486-T488 VanDerWaalsContact C-N 3.28Å; N486-T488 PolarHBondContact O-N 3.43Å
487F91.9Very high81.3Confident0 Ų067 Ų670%036%0.36CS..  trans-65-32.4172.7-178-95.8000112.5T213 F214 R217 C235 F236 Q237 V242 F244 F484 S485 Y489T213-F487 HydrophobicContact CG2-CD2 4.38Å; T213-F487 HydrophobicContact CG2-CE2 3.83Å; F214-F487 HydrophobicContact CE1-CB 4.09Å; F214-F487 HydrophobicContact CE1-CD2 4.45Å; F214-F487 HydrophobicContact CZ-CB 3.91Å; F214-F487 HydrophobicContact CZ-CD2 4.4Å; R217-F487 HydrophobicContact CB-CE2 4.41Å; R217-F487 WeakPolarHBondContact CD-O 3.36Å; R217-F487 HydrophobicContact CG-CE2 4.42Å; C235-F487 HydrophobicContact CB-CD1 4.25Å; C235-F487 HydrophobicContact CB-CE1 3.73Å; C235-F487 HydrophobicContact CB-CZ 4.06Å; F236-F487 VanDerWaalsContact O-CE1 3.32Å; F236-F487 WeakPolarHBondContact O-CE1 3.42Å; Q237-F487 HydrophobicContact CB-CD1 4.44Å; V242-F487 HydrophobicContact CB-CD1 4.12Å; V242-F487 HydrophobicContact CB-CE1 3.67Å; V242-F487 HydrophobicContact CB-CE2 4.22Å; V242-F487 HydrophobicContact CB-CZ 3.73Å; V242-F487 HydrophobicContact CG1-CD1 4.15Å; V242-F487 HydrophobicContact CG1-CE1 4.21Å; V242-F487 HydrophobicContact CG1-CG 4.33Å; V242-F487 HydrophobicContact CG1-CZ 4.44Å; V242-F487 HydrophobicContact CG2-CE2 4.45Å; V242-F487 HydrophobicContact CG2-CZ 4.18Å; F244-F487 HydrophobicContact CD1-CZ 4.14Å; F244-F487 HydrophobicContact CD2-CZ 4.24Å; F244-F487 AromaticContact CE1-CE2 3.79Å; F244-F487 HydrophobicContact CE1-CE2 3.79Å; F244-F487 AromaticContact CE1-CZ 3.67Å; F244-F487 HydrophobicContact CE1-CZ 3.67Å; F244-F487 HydrophobicContact CE2-CE2 4.12Å; F244-F487 AromaticContact CE2-CZ 3.77Å; F244-F487 HydrophobicContact CE2-CZ 3.77Å; F244-F487 HydrophobicContact CG-CZ 4.42Å; F244-F487 AromaticContact CZ-CE2 3.48Å; F244-F487 HydrophobicContact CZ-CE2 3.48Å; F244-F487 VanDerWaalsContact CZ-CE2 3.48Å; F244-F487 AromaticContact CZ-CZ 3.49Å; F244-F487 HydrophobicContact CZ-CZ 3.49Å; F244-F487 VanDerWaalsContact CZ-CZ 3.49Å; F484-F487 VanDerWaalsContact O-CB 3.27Å; F484-F487 WeakPolarHBondContact O-CB 3.46Å; F484-F487 PolarHBondContact O-N 3.14Å; S485-F487 PolarHBondContact O-N 2.88Å; S485-F487 VanDerWaalsContact O-N 3.07Å; F487-Y489 PolarHBondContact O-N 3.28Å
488T92.1Very high79.2Confident54 Ų5469.2 Ų69.233%0.33137%0.37SS..  trans-63.2130-175.1-55.10000111C235 N486C235-T488 CarbonylContact O-C 3.54Å; C235-T488 VanDerWaalsContact O-CA 3.26Å; C235-T488 WeakPolarHBondContact O-CA 3.28Å; N486-T488 VanDerWaalsContact C-N 3.28Å; N486-T488 PolarHBondContact O-N 3.43Å
489Y91.7Very high78.7Confident46 Ų4669.2 Ų69.218%0.1836%0.364CS..EExtended strand (participates in β ladder)trans-142.4145.2177.2169.6-97000110V221 V232 W234 C235 F487 N491V221-Y489 HydrophobicContact CG1-CE2 4.13Å; V221-Y489 HydrophobicContact CG2-CD1 3.9Å; V221-Y489 HydrophobicContact CG2-CD2 4.11Å; V221-Y489 HydrophobicContact CG2-CE1 3.7Å; V221-Y489 HydrophobicContact CG2-CE2 3.91Å; V221-Y489 HydrophobicContact CG2-CG 4.11Å; V232-Y489 HydrophobicContact CG1-CD1 4.26Å; V232-Y489 HydrophobicContact CG1-CE1 4.09Å; W234-Y489 WeakPolarHBondContact CA-O 3.45Å; C235-Y489 PolarHBondContact N-O 2.92Å; C235-Y489 PolarHBondContact O-N 3.19Å; C235-Y489 VanDerWaalsContact O-O 3.12Å; F487-Y489 PolarHBondContact O-N 3.28Å; Y489-N491 HydrophobicContact CE1-CB 3.95Å
490V88.5Confident78.1Confident36 Ų3672.3 Ų72.322%0.21838%0.38CS..EExtended strand (participates in β ladder)trans-135.6122.1175.2-178.60000107.4S492 W496V490-S492 PolarHBondContact O-N 3.29Å; V490-W496 HydrophobicContact CB-CZ2 4.38Å; V490-W496 HydrophobicContact CG1-CH2 4.11Å; V490-W496 HydrophobicContact CG1-CZ2 3.73Å; V490-W496 HydrophobicContact CG2-CH2 3.87Å; V490-W496 HydrophobicContact CG2-CZ2 4.07Å
491N82.4Confident77.4Confident6 Ų672.3 Ų72.33%0.03238%0.38CS..  trans-66.2132.3173.1-179.4-29.8000109.4E224 F233 Y489 E493 V494E224-N491 PolarHBondContact OE1-ND2 2.81Å; E224-N491 PolarHBondContact OE1-OD1 3.19Å; F233-N491 WeakPolarHBondContact O-CB 3.36Å; F233-N491 PolarHBondContact O-N 2.86Å; Y489-N491 HydrophobicContact CE1-CB 3.95Å; N491-E493 VanDerWaalsContact C-N 3.27Å; N491-E493 PolarHBondContact O-N 3.39Å; N491-E493 PolarHBondContact OD1-N 3.3Å; N491-V494 HydrophobicContact CB-CG2 3.81Å; N491-V494 PolarHBondContact O-N 2.94Å
492S69.3Low76.5Confident112 Ų11272.4 Ų72.478%0.78338%0.383SS*.THydrogen-bonded Turntrans-62.3-26.7-17737.90000114.7V490 V494V490-S492 PolarHBondContact O-N 3.29Å; S492-V494 VanDerWaalsContact C-N 3.29Å; S492-V494 PolarHBondContact O-N 3.22Å
493E63.9Low75.5Confident157 Ų15767 Ų6773%0.73436%0.36SS*.THydrogen-bonded Turntrans-81.4-8.9-177.1-60.5-157.9160.700113.3N491 S495N491-E493 VanDerWaalsContact C-N 3.27Å; N491-E493 PolarHBondContact O-N 3.39Å; N491-E493 PolarHBondContact OD1-N 3.3Å; E493-S495 PolarHBondContact O-N 3.45Å
494V62.3Low74.5Confident17 Ų1765.6 Ų65.610%0.10336%0.357CS..SBendtrans-90.8110.2-173.2-152.70000111.1F233 W234 N491 S492 W496F233-V494 HydrophobicContact CB-CG2 4.22Å; F233-V494 HydrophobicContact CD1-CG1 4.38Å; F233-V494 HydrophobicContact CD1-CG2 3.7Å; F233-V494 HydrophobicContact CG-CG2 4.47Å; W234-V494 HydrophobicContact CH2-CB 4.38Å; W234-V494 HydrophobicContact CH2-CG1 3.33Å; W234-V494 HydrophobicContact CZ2-CB 3.82Å; W234-V494 HydrophobicContact CZ2-CG1 3.14Å; W234-V494 HydrophobicContact CZ3-CG1 4.31Å; N491-V494 HydrophobicContact CB-CG2 3.81Å; N491-V494 PolarHBondContact O-N 2.94Å; S492-V494 VanDerWaalsContact C-N 3.29Å; S492-V494 PolarHBondContact O-N 3.22Å; V494-W496 PolarHBondContact O-N 2.7Å
495S54.5Low73.1Confident67 Ų6770.3 Ų70.347%0.46938%0.383SS..PPolyproline II helixtrans-56.8125.5172.2580000110.7E493E493-S495 PolarHBondContact O-N 3.45Å
496W52.6Low71.8Confident60 Ų6070.8 Ų70.823%0.22738%0.378CS..PPolyproline II helixtrans-61.2147.2178.1-72.588.5000111.9K160 K161 I163 V490 V494 E498K160-W496 HydrophobicContact CB-CZ2 3.85Å; K160-W496 HydrophobicContact CD-CZ2 4.15Å; K160-W496 HydrophobicContact CG-CZ2 4.43Å; K161-W496 HydrophobicContact CB-CE3 4.42Å; K161-W496 WeakPolarHBondContact O-CH2 3.41Å; K161-W496 WeakPolarHBondContact O-CZ3 3.31Å; I163-W496 HydrophobicContact CB-CZ3 4.09Å; V490-W496 HydrophobicContact CB-CZ2 4.38Å; V490-W496 HydrophobicContact CG1-CH2 4.11Å; V490-W496 HydrophobicContact CG1-CZ2 3.73Å; V490-W496 HydrophobicContact CG2-CH2 3.87Å; V490-W496 HydrophobicContact CG2-CZ2 4.07Å; V494-W496 PolarHBondContact O-N 2.7Å; W496-E498 PolarHBondContact O-N 3.39Å
497P50.4Low70.4Confident20 Ų2065.7 Ų65.713%0.1335%0.35CS..PPolyproline II helixtrans-62.2118.4160.925.6-30.4000108.7L187L187-P497 HydrophobicContact CD1-CG 4.41Å
498E44.9Very low68.4Low213 Ų21371.6 Ų71.6100%0.99538%0.382SS*.  trans-62.40176.6-76.7-174.6157.600113K161 W496K161-E498 PolarHBondContact NZ-O 2.85Å; K161-E498 PolarHBondContact NZ-OXT 2.72Å; W496-E498 PolarHBondContact O-N 3.39Å

Retrieved 498 of 498 residues in 224.4 ms (Link to these results)

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