A0A077YWK2_TRITR Loading...

Delta(3' 5') delta(2,4) dienoyl coenzyme a isomer ase

AlphaFold DB , UniProt , Accession A0A077YWK2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 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
1M40.1Very low33.9Very low246 Ų246159.9 Ų159.9100%1.21278%0.782SS**  092.30-76-173.8-111.200108.5
2L26.5Very low35.7Very low170 Ų170152.5 Ų152.589%0.8976%0.757SS**  trans-94.6134.5172.2-95.7117000108.6L4L2-L4 PolarHBondContact O-N 3.41Å
3P33.5Very low38.4Very low114 Ų114145.2 Ų145.274%0.7473%0.73SS**  trans-75.8127176.230.3-29.4000109.4R5P3-R5 PolarHBondContact O-N 3.35Å; P3-R5 VanDerWaalsContact O-N 3.07Å
4L30.9Very low41.2Very low168 Ų168140.9 Ų140.988%0.8873%0.728SS**  trans-55.8108.6170.7-86146.4000109.7L2 L6L2-L4 PolarHBondContact O-N 3.41Å; L4-L6 PolarHBondContact O-N 3.43Å
5R28.3Very low43.9Very low246 Ų246132.6 Ų132.693%0.92869%0.685SS**  trans-68.595.2164.3-74.7-176.7174.9-172.7-0.9108.4P3 G7P3-R5 PolarHBondContact O-N 3.35Å; P3-R5 VanDerWaalsContact O-N 3.07Å; R5-G7 VanDerWaalsContact C-N 3.3Å; R5-G7 PolarHBondContact O-N 3.28Å
6L31.1Very low46.3Very low170 Ų170129.9 Ų129.989%0.8969%0.688SS**  trans-69.192.7162.3-95.3143000108.3L4 Y8L4-L6 PolarHBondContact O-N 3.43Å; L6-Y8 PolarHBondContact O-N 3.25Å
7G30.5Very low48.5Very low62 Ų62126.7 Ų126.764%0.63969%0.694SS**  trans-65.5124.8170.700000110.1R5 R9R5-G7 VanDerWaalsContact C-N 3.3Å; R5-G7 PolarHBondContact O-N 3.28Å; G7-R9 VanDerWaalsContact C-N 3.26Å; G7-R9 PolarHBondContact O-N 3.29Å
8Y37.2Very low50.7Low117 Ų117121.2 Ų121.246%0.45966%0.663SS.*  trans-66.579.2175.4-137.2-104.4000110.2L6 S10 R30 Q223L6-Y8 PolarHBondContact O-N 3.25Å; Y8-S10 PolarHBondContact O-N 2.9Å; Y8-R30 PolarHBondContact OH-NH2 3.03Å; Y8-R30 VanDerWaalsContact OH-NH2 3.13Å; Y8-Q223 PolarHBondContact OH-OE1 3.28Å
9R31.4Very low52.8Low244 Ų244118.3 Ų118.392%0.92165%0.652SS**  trans-85.473.1160.5-79.8-170.1175.1-165.6-0.3108G7G7-R9 VanDerWaalsContact C-N 3.26Å; G7-R9 PolarHBondContact O-N 3.29Å
10S42Very low54.8Low28 Ų28121.3 Ų121.320%0.19666%0.661CS.*  trans-84.2114.5171.5-164.60000108Y8 C12 L29 R30Y8-S10 PolarHBondContact O-N 2.9Å; S10-C12 PolarHBondContact O-N 3.08Å; S10-L29 PolarHBondContact OG-O 3.05Å; S10-L29 VanDerWaalsContact OG-O 3.08Å; S10-R30 PolarHBondContact OG-NH1 3.1Å
11F41.5Very low56.8Low194 Ų194116.4 Ų116.485%0.85163%0.634SS**  trans-6585.2163.5-91-98000107.8S13F11-S13 PolarHBondContact O-N 3.31Å
12C55Low59.5Low71 Ų71110.7 Ų110.748%0.4860%0.604SS.*  trans-75.996.5167.2-74.80000107.6S10 N27S10-C12 PolarHBondContact O-N 3.08Å; C12-N27 HydrophobicContact CB-CB 4.46Å
13S71.1Confident62.9Low57 Ų57103.4 Ų103.440%0.39957%0.565SS.*EExtended strand (participates in β ladder)trans-100.5144170.3610000110.1F11 Q28F11-S13 PolarHBondContact O-N 3.31Å; S13-Q28 PolarHBondContact O-N 3.41Å
14A77.3Confident66Low85 Ų8598.3 Ų98.370%0.70253%0.532SS*.EExtended strand (participates in β ladder)trans-55.5147.8161.600000109.5
15I81.4Confident69.2Low17 Ų1793.2 Ų93.29%0.08751%0.505CS..PPolyproline II helixtrans-93.4118.4-176.1-57.8170.2000108.4G17 L18 V26 Q28 I34 H65I15-G17 PolarHBondContact O-N 3.46Å; I15-L18 HydrophobicContact CB-CD1 3.78Å; I15-L18 HydrophobicContact CB-CG 4.22Å; I15-L18 HydrophobicContact CD1-CD1 3.76Å; I15-L18 HydrophobicContact CG1-CD1 4.37Å; I15-L18 HydrophobicContact CG2-CD1 3.89Å; I15-L18 HydrophobicContact CG2-CG 4.05Å; I15-L18 PolarHBondContact O-N 2.97Å; I15-V26 HydrophobicContact CD1-CG1 3.88Å; I15-Q28 HydrophobicContact CG1-CB 4.17Å; I15-I34 HydrophobicContact CD1-CB 4.01Å; I15-I34 HydrophobicContact CD1-CD1 3.38Å; I15-I34 HydrophobicContact CD1-CG1 3.71Å; I15-I34 HydrophobicContact CD1-CG2 3.28Å; I15-I34 HydrophobicContact CG1-CD1 4.17Å; I15-H65 WeakPolarHBondContact CG2-NE2 3.3Å
16A82.6Confident72.5Confident89 Ų8982.3 Ų82.374%0.73647%0.466SS*.THydrogen-bonded Turntrans-59.1129.6178.100000111.1H65A16-H65 PolarHBondContact O-NE2 3.41Å
17G84.1Confident75.6Confident76 Ų7675.5 Ų75.578%0.78443%0.43SS*.THydrogen-bonded Turntrans90.8-3.917600000115.7I15I15-G17 PolarHBondContact O-N 3.46Å
18L88.8Confident78.7Confident28 Ų2874.9 Ų74.915%0.14741%0.411CS..SBendtrans-85.4147.1165.8-68.2-179.2000110.9I15 V26 Q61 L62I15-L18 HydrophobicContact CB-CD1 3.78Å; I15-L18 HydrophobicContact CB-CG 4.22Å; I15-L18 HydrophobicContact CD1-CD1 3.76Å; I15-L18 HydrophobicContact CG1-CD1 4.37Å; I15-L18 HydrophobicContact CG2-CD1 3.89Å; I15-L18 HydrophobicContact CG2-CG 4.05Å; I15-L18 PolarHBondContact O-N 2.97Å; L18-V26 HydrophobicContact CD1-CG1 3.73Å; L18-Q61 HydrophobicContact CD2-CB 3.47Å; L18-Q61 VanDerWaalsContact CD2-CB 3.47Å; L18-Q61 HydrophobicContact CD2-CG 4.48Å; L18-L62 HydrophobicContact CD1-CD2 3.8Å; L18-L62 HydrophobicContact CD2-CD2 4.23Å
19S89.7Confident81.3Confident65 Ų6570.1 Ų70.146%0.45539%0.393SS..PPolyproline II helixtrans-60.1153169.3-62.50000111.5F21 Q61S19-F21 WeakPolarHBondContact O-CD2 3.43Å; S19-F21 VanDerWaalsContact O-CE2 3.28Å; S19-F21 WeakPolarHBondContact O-CE2 3.3Å; S19-Q61 PolarHBondContact OG-NE2 3.3Å
20H93.2Very high84.2Confident179 Ų17961.1 Ų61.183%0.82936%0.359SS*.PPolyproline II helixtrans-75.3133.9165.4-171.2-70.7000109.2
21F96.8Very high86.7Confident19 Ų1963.5 Ų63.58%0.08338%0.376CS..  trans-115.9142.1177.8-57.6-70000109.8S19 L24 V26 E54 D57 C58S19-F21 WeakPolarHBondContact O-CD2 3.43Å; S19-F21 VanDerWaalsContact O-CE2 3.28Å; S19-F21 WeakPolarHBondContact O-CE2 3.3Å; F21-L24 HydrophobicContact CB-CB 3.77Å; F21-L24 WeakPolarHBondContact CB-O 3.02Å; F21-L24 HydrophobicContact CD2-CB 4.33Å; F21-L24 HydrophobicContact CG-CB 4.14Å; F21-V26 HydrophobicContact CD2-CG2 3.75Å; F21-V26 HydrophobicContact CE2-CG2 4.05Å; F21-E54 WeakPolarHBondContact CA-OE1 3.43Å; F21-E54 HydrophobicContact CB-CG 4.4Å; F21-E54 HydrophobicContact CD1-CB 3.77Å; F21-E54 HydrophobicContact CD1-CG 3.74Å; F21-E54 HydrophobicContact CE1-CB 4.38Å; F21-E54 HydrophobicContact CG-CB 4.48Å; F21-D57 HydrophobicContact CE1-CB 4.3Å; F21-C58 HydrophobicContact CE1-CB 4.14Å; F21-C58 HydrophobicContact CE2-CB 3.93Å; F21-C58 HydrophobicContact CZ-CB 3.63Å
22E97.6Very high89.4Confident126 Ų12656 Ų5659%0.58935%0.345SS*.SBendtrans-78.5-40.2177.4-169-172.6151.900111.7T50 E54E22-T50 HydrophobicContact CB-CG2 4.32Å; E22-E54 WeakPolarHBondContact CB-OE1 3.4Å; E22-E54 PolarHBondContact N-OE1 3.47Å
23H98.1Very high91.4Very high17 Ų1752.6 Ų52.68%0.07932%0.322CS..SBendtrans-117.21.9-171.8-62.7-23.3000113.7N39 R40 N48 L51 E54H23-N39 PolarHBondContact O-N 3.42Å; H23-R40 HydrophobicContact CB-CG 3.77Å; H23-R40 VanDerWaalsContact CG-CD 3.47Å; H23-N48 PolarHBondContact CD2-ND2 3.43Å; H23-N48 PolarHBondContact CD2-OD1 3.02Å; H23-N48 PolarHBondContact NE2-ND2 3.31Å; H23-L51 HydrophobicContact CB-CB 3.96Å; H23-L51 HydrophobicContact CB-CD1 3.85Å; H23-L51 HydrophobicContact CB-CD2 4.48Å; H23-L51 HydrophobicContact CB-CG 4.31Å; H23-E54 WeakPolarHBondContact CA-OE2 3.35Å; H23-E54 WeakPolarHBondContact CB-OE2 3.3Å; H23-E54 PolarHBondContact N-OE2 3.18Å
24L98.4Very high92.7Very high6 Ų649.9 Ų49.93%0.03130%0.303CS..EExtended strand (participates in β ladder)trans-115.5132.2168.1-63.9178.6000110.8F21 V26 V36 Q37 L38 L51 E54 I55 C58F21-L24 HydrophobicContact CB-CB 3.77Å; F21-L24 WeakPolarHBondContact CB-O 3.02Å; F21-L24 HydrophobicContact CD2-CB 4.33Å; F21-L24 HydrophobicContact CG-CB 4.14Å; L24-V26 HydrophobicContact CB-CG2 4.15Å; L24-V36 HydrophobicContact CD1-CG1 4.25Å; L24-V36 HydrophobicContact CD2-CG1 4Å; L24-Q37 WeakPolarHBondContact CA-O 3.41Å; L24-L38 HydrophobicContact CD2-CD2 3.81Å; L24-L51 HydrophobicContact CD2-CD1 3.47Å; L24-L51 VanDerWaalsContact CD2-CD1 3.47Å; L24-L51 HydrophobicContact CG-CD1 3.76Å; L24-E54 HydrophobicContact CD1-CB 3.85Å; L24-E54 WeakPolarHBondContact CD1-O 3.22Å; L24-E54 HydrophobicContact CG-CB 4.17Å; L24-E54 PolarHBondContact N-OE2 3.03Å; L24-I55 HydrophobicContact CD1-CG1 4.25Å; L24-I55 HydrophobicContact CD2-CG1 4.29Å; L24-C58 HydrophobicContact CD1-CB 3.74Å
25L97.5Very high93.7Very high61 Ų6146 Ų4632%0.31927%0.27SS..EExtended strand (participates in β ladder)trans-98.9119.2165.3-174.879.8000108.2N27 Q37 N39L25-N27 WeakPolarHBondContact CD2-ND2 3.38Å; L25-N27 WeakPolarHBondContact CG-ND2 3.34Å; L25-Q37 HydrophobicContact CB-CB 4.24Å; L25-Q37 PolarHBondContact N-O 2.94Å; L25-Q37 PolarHBondContact O-N 3.49Å; L25-N39 HydrophobicContact CB-CB 4.15Å
26V97.6Very high94.5Very high18 Ų1845.2 Ų45.211%0.10927%0.266CS..EExtended strand (participates in β ladder)trans-121.7110.6-176.2-168.30000110.3I15 L18 F21 L24 I34 H35 V36I15-V26 HydrophobicContact CD1-CG1 3.88Å; L18-V26 HydrophobicContact CD1-CG1 3.73Å; F21-V26 HydrophobicContact CD2-CG2 3.75Å; F21-V26 HydrophobicContact CE2-CG2 4.05Å; L24-V26 HydrophobicContact CB-CG2 4.15Å; V26-I34 HydrophobicContact CG1-CG2 3.64Å; V26-H35 WeakPolarHBondContact CA-O 3.31Å; V26-V36 HydrophobicContact CG1-CG2 4.13Å; V26-V36 HydrophobicContact CG2-CG1 4.46Å; V26-V36 HydrophobicContact CG2-CG2 4.36Å
27N96.2Very high95.3Very high27 Ų2742.2 Ų42.214%0.14424%0.237CC..EExtended strand (participates in β ladder)trans-130.9153.2-176.1-66.2-46.9000111.5C12 L25 H35C12-N27 HydrophobicContact CB-CB 4.46Å; L25-N27 WeakPolarHBondContact CD2-ND2 3.38Å; L25-N27 WeakPolarHBondContact CG-ND2 3.34Å; N27-H35 PolarHBondContact N-O 3.44Å; N27-H35 PolarHBondContact O-N 3.46Å
28Q95.9Very high96Very high48 Ų4838.6 Ų38.622%0.22420%0.199CC..EExtended strand (participates in β ladder)trans-83.9119.9166.4-173.1168.9-8.100109.9S13 I15 R30 I34S13-Q28 PolarHBondContact O-N 3.41Å; I15-Q28 HydrophobicContact CG1-CB 4.17Å; Q28-R30 WeakPolarHBondContact CG-O 3.44Å; Q28-R30 PolarHBondContact NE2-O 3.3Å; Q28-I34 HydrophobicContact CB-CD1 4.07Å; Q28-I34 HydrophobicContact CG-CD1 4Å
29L90.6Very high96.4Very high18 Ų1839.7 Ų39.79%0.09421%0.205CC..EExtended strand (participates in β ladder)trans-90.8-36.5178.7-74.3-178.2000113.2S10 V33 H35 V226S10-L29 PolarHBondContact OG-O 3.05Å; S10-L29 VanDerWaalsContact OG-O 3.08Å; L29-V33 PolarHBondContact N-O 3.36Å; L29-V33 VanDerWaalsContact N-O 3.1Å; L29-H35 HydrophobicContact CD1-CB 3.47Å; L29-H35 VanDerWaalsContact CD1-CB 3.47Å; L29-H35 WeakPolarHBondContact CD1-ND1 3.47Å; L29-H35 HydrophobicContact CD2-CB 4.33Å; L29-H35 HydrophobicContact CG-CB 3.48Å; L29-H35 VanDerWaalsContact CG-CB 3.48Å; L29-V226 HydrophobicContact CD1-CG1 4.31Å; L29-V226 HydrophobicContact CD1-CG2 3.54Å
30R93.5Very high96.8Very high55 Ų5537.5 Ų37.521%0.20819%0.187CC..EExtended strand (participates in β ladder)trans-144.7174.9-177.6-64-65.7-174.8-87.5-3109.1Y8 S10 Q28 N32 V33 V226 E230Y8-R30 PolarHBondContact OH-NH2 3.03Å; Y8-R30 VanDerWaalsContact OH-NH2 3.13Å; S10-R30 PolarHBondContact OG-NH1 3.1Å; Q28-R30 WeakPolarHBondContact CG-O 3.44Å; Q28-R30 PolarHBondContact NE2-O 3.3Å; R30-N32 PolarHBondContact O-N 3.29Å; R30-N32 VanDerWaalsContact O-N 3.1Å; R30-V33 HydrophobicContact CB-CB 4.06Å; R30-V33 HydrophobicContact CB-CG2 4.12Å; R30-V33 PolarHBondContact O-N 3.46Å; R30-V226 HydrophobicContact CG-CG1 4.23Å; R30-E230 IonicContact NE-OE2 3.52Å
31S94.5Very high97.1Very high78 Ų7831 Ų3155%0.54516%0.161SC..THydrogen-bonded Turntrans-56.2121.7172.5-166.80000110.3V33 S233S31-V33 PolarHBondContact O-N 3.45Å; S31-S233 PolarHBondContact O-OG 2.93Å
32N96.8Very high97.1Very high36 Ų3636.3 Ų36.319%0.19319%0.186CC..THydrogen-bonded Turntrans60.99.9179.3-50.4116.5000117.6R30 S67 R69 V70R30-N32 PolarHBondContact O-N 3.29Å; R30-N32 VanDerWaalsContact O-N 3.1Å; N32-S67 VanDerWaalsContact CA-O 3.23Å; N32-S67 WeakPolarHBondContact CA-O 3.46Å; N32-S67 WeakPolarHBondContact CB-O 2.98Å; N32-S67 PolarHBondContact ND2-O 3.17Å; N32-R69 HydrophobicContact CB-CB 3.81Å; N32-R69 HydrophobicContact CB-CG 3.72Å; N32-R69 PolarHBondContact O-N 3.45Å; N32-V70 PolarHBondContact O-N 3.24Å
33V98.3Very high97.1Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-107.5114.7175.7-178.30000109.5L29 R30 S31 V70 V72 A229L29-V33 PolarHBondContact N-O 3.36Å; L29-V33 VanDerWaalsContact N-O 3.1Å; R30-V33 HydrophobicContact CB-CB 4.06Å; R30-V33 HydrophobicContact CB-CG2 4.12Å; R30-V33 PolarHBondContact O-N 3.46Å; S31-V33 PolarHBondContact O-N 3.45Å; V33-V70 WeakPolarHBondContact CA-O 3.31Å; V33-V72 HydrophobicContact CG1-CG2 3.94Å; V33-A229 HydrophobicContact CG1-CB 3.67Å; V33-A229 HydrophobicContact CG2-CB 4.03Å
34I98.1Very high97.1Very high0 Ų037.2 Ų37.20%019%0.19CC..EExtended strand (participates in β ladder)trans-100.5133.1178.2-55.8-37.6000109.4I15 V26 Q28 V36 L62 C68 V70 V71 V72I15-I34 HydrophobicContact CD1-CB 4.01Å; I15-I34 HydrophobicContact CD1-CD1 3.38Å; I15-I34 HydrophobicContact CD1-CG1 3.71Å; I15-I34 HydrophobicContact CD1-CG2 3.28Å; I15-I34 HydrophobicContact CG1-CD1 4.17Å; V26-I34 HydrophobicContact CG1-CG2 3.64Å; Q28-I34 HydrophobicContact CB-CD1 4.07Å; Q28-I34 HydrophobicContact CG-CD1 4Å; I34-V36 HydrophobicContact CG2-CG2 4.48Å; I34-L62 HydrophobicContact CB-CD2 4.25Å; I34-L62 HydrophobicContact CG1-CD2 4.16Å; I34-L62 HydrophobicContact CG2-CD1 4.32Å; I34-L62 HydrophobicContact CG2-CD2 3.81Å; I34-C68 HydrophobicContact CG1-CB 3.79Å; I34-V70 PolarHBondContact N-O 3Å; I34-V71 CarbonylContact O-C 3.58Å; I34-V71 VanDerWaalsContact O-CA 3.27Å; I34-V71 WeakPolarHBondContact O-CA 3.48Å; I34-V72 PolarHBondContact O-N 3.17Å
35H98.2Very high97.1Very high4 Ų437 Ų372%0.01919%0.188CC..EExtended strand (participates in β ladder)trans-109.8115.2177.7-175.6-159.4000110.1V26 N27 L29 Q37 V72 S74V26-H35 WeakPolarHBondContact CA-O 3.31Å; N27-H35 PolarHBondContact N-O 3.44Å; N27-H35 PolarHBondContact O-N 3.46Å; L29-H35 HydrophobicContact CD1-CB 3.47Å; L29-H35 VanDerWaalsContact CD1-CB 3.47Å; L29-H35 WeakPolarHBondContact CD1-ND1 3.47Å; L29-H35 HydrophobicContact CD2-CB 4.33Å; L29-H35 HydrophobicContact CG-CB 3.48Å; L29-H35 VanDerWaalsContact CG-CB 3.48Å; H35-Q37 WeakPolarHBondContact CE1-CG 3.5Å; H35-Q37 PolarHBondContact CE1-NE2 3.27Å; H35-Q37 PolarHBondContact CE1-OE1 2.97Å; H35-Q37 PolarHBondContact ND1-NE2 3.19Å; H35-Q37 VanDerWaalsContact ND1-NE2 3.17Å; H35-Q37 WeakPolarHBondContact NE2-CG 3.15Å; H35-V72 CarbonylContact C-O 3.02Å; H35-V72 WeakPolarHBondContact CA-O 3.42Å; H35-V72 PolarHBondContact CD2-O 2.87Å; H35-S74 PolarHBondContact NE2-OG 2.92Å
36V98.5Very high97.2Very high0 Ų034.4 Ų34.40%018%0.176CC..EExtended strand (participates in β ladder)trans-99.1123.4172.9-179.70000107.5L24 V26 I34 F59 L62 V71 V72 L73 S74L24-V36 HydrophobicContact CD1-CG1 4.25Å; L24-V36 HydrophobicContact CD2-CG1 4Å; V26-V36 HydrophobicContact CG1-CG2 4.13Å; V26-V36 HydrophobicContact CG2-CG1 4.46Å; V26-V36 HydrophobicContact CG2-CG2 4.36Å; I34-V36 HydrophobicContact CG2-CG2 4.48Å; V36-F59 HydrophobicContact CG1-CE2 4.46Å; V36-L62 HydrophobicContact CG2-CD1 3.71Å; V36-V71 HydrophobicContact CB-CG1 4.44Å; V36-V71 HydrophobicContact CG2-CG1 3.8Å; V36-V72 PolarHBondContact N-O 2.88Å; V36-L73 HydrophobicContact CB-CD1 4.2Å; V36-L73 HydrophobicContact CG1-CD1 3.99Å; V36-L73 VanDerWaalsContact O-CA 3.32Å; V36-L73 WeakPolarHBondContact O-CA 3.4Å; V36-S74 PolarHBondContact O-N 3.16Å; V36-S74 VanDerWaalsContact O-N 3.1Å
37Q98.5Very high97.2Very high25 Ų2533.6 Ų33.612%0.11717%0.171CC..EExtended strand (participates in β ladder)trans-120.1129.6178.7-61.1-179.67800110.3L24 L25 H35 N39 S74 M76L24-Q37 WeakPolarHBondContact CA-O 3.41Å; L25-Q37 HydrophobicContact CB-CB 4.24Å; L25-Q37 PolarHBondContact N-O 2.94Å; L25-Q37 PolarHBondContact O-N 3.49Å; H35-Q37 WeakPolarHBondContact CE1-CG 3.5Å; H35-Q37 PolarHBondContact CE1-NE2 3.27Å; H35-Q37 PolarHBondContact CE1-OE1 2.97Å; H35-Q37 PolarHBondContact ND1-NE2 3.19Å; H35-Q37 VanDerWaalsContact ND1-NE2 3.17Å; H35-Q37 WeakPolarHBondContact NE2-CG 3.15Å; Q37-N39 PolarHBondContact O-N 3.22Å; Q37-S74 CarbonylContact C-O 3.53Å; Q37-S74 VanDerWaalsContact CA-O 3.3Å; Q37-S74 WeakPolarHBondContact CA-O 3.14Å; Q37-M76 HydrophobicContact CB-CG 4.13Å; Q37-M76 PolarHBondContact OE1-SD 3.11Å
38L98.8Very high97.2Very high0 Ų033.2 Ų33.20%017%0.169CC..EExtended strand (participates in β ladder)trans-62.8123164.7-51178.7000107.7L24 N45 L51 I55 S74 M76 F80 C81 L146L24-L38 HydrophobicContact CD2-CD2 3.81Å; L38-N45 HydrophobicContact CB-CB 3.83Å; L38-N45 HydrophobicContact CD1-CB 4.12Å; L38-N45 PolarHBondContact O-OD1 3.08Å; L38-L51 HydrophobicContact CD2-CD1 4.17Å; L38-L51 HydrophobicContact CD2-CD2 4.34Å; L38-I55 HydrophobicContact CD2-CD1 4.25Å; L38-S74 PolarHBondContact N-O 3.18Å; L38-M76 VanDerWaalsContact O-CB 3.28Å; L38-M76 WeakPolarHBondContact O-CB 3.5Å; L38-M76 PolarHBondContact O-N 2.97Å; L38-F80 HydrophobicContact CD1-CE2 4.42Å; L38-F80 HydrophobicContact CD1-CZ 4.27Å; L38-C81 HydrophobicContact CD1-CB 3.86Å; L38-L146 HydrophobicContact CD1-CD2 3.96Å; L38-L146 HydrophobicContact CD2-CD2 4.03Å; L38-L146 HydrophobicContact CG-CD2 4.5Å
39N98.3Very high97.2Very high51 Ų5135.1 Ų35.127%0.27318%0.178SC..  trans-125.557.2-169.1-169.241000111.9H23 L25 Q37H23-N39 PolarHBondContact O-N 3.42Å; L25-N39 HydrophobicContact CB-CB 4.15Å; Q37-N39 PolarHBondContact O-N 3.22Å
40R98.1Very high97.4Very high19 Ų1936.7 Ų36.77%0.07219%0.188CC..  trans-13053.4166.8-53.6177.373.9-1451.5110.1H23 E42 K43 L44 N45 A46 D85H23-R40 HydrophobicContact CB-CG 3.77Å; H23-R40 VanDerWaalsContact CG-CD 3.47Å; R40-E42 VanDerWaalsContact C-OE2 3.29Å; R40-E42 PolarHBondContact O-N 3.26Å; R40-K43 HydrophobicContact CB-CB 4.27Å; R40-K43 CarbonylContact O-C 3.6Å; R40-K43 WeakPolarHBondContact O-CA 3.35Å; R40-K43 PolarHBondContact O-N 3.06Å; R40-L44 PolarHBondContact O-N 3.48Å; R40-L44 VanDerWaalsContact O-N 3.1Å; R40-N45 PolarHBondContact N-OD1 3.48Å; R40-N45 PolarHBondContact O-N 3.23Å; R40-N45 PolarHBondContact O-OD1 3.25Å; R40-A46 PolarHBondContact NH1-O 3.39Å; R40-D85 IonicContact CZ-OD2 2.67Å; R40-D85 IonicContact NH1-OD2 3.76Å; R40-D85 PolarHBondContact NH1-OD2 3.1Å; R40-D85 IonicContact NH2-OD2 3.22Å; R40-D85 PolarHBondContact NH2-OD2 3.08Å
41P98.2Very high97.6Very high43 Ų4334 Ų3428%0.27918%0.178SC..G310 helixtrans-57.5-33.6-171.124.6-35.6000113.1K43 L44 M76P41-K43 VanDerWaalsContact C-N 3.25Å; P41-K43 PolarHBondContact O-N 3.23Å; P41-L44 PolarHBondContact O-N 3.23Å; P41-M76 HydrophobicContact CB-CB 4.28Å; P41-M76 HydrophobicContact CG-CB 4.36Å
42E97.8Very high97.8Very high131 Ų13130.9 Ų30.961%0.61216%0.155SC*.G310 helixtrans-67-23.2175.674.5-61.1148.400113.6R40R40-E42 VanDerWaalsContact C-OE2 3.29Å; R40-E42 PolarHBondContact O-N 3.26Å
43K97.9Very high97.8Very high118 Ų11832.7 Ų32.751%0.51316%0.162SC..G310 helixtrans-10617.5171.1-59.5-60.6-175.8177.20112.4R40 P41 N45 A46R40-K43 HydrophobicContact CB-CB 4.27Å; R40-K43 CarbonylContact O-C 3.6Å; R40-K43 WeakPolarHBondContact O-CA 3.35Å; R40-K43 PolarHBondContact O-N 3.06Å; P41-K43 VanDerWaalsContact C-N 3.25Å; P41-K43 PolarHBondContact O-N 3.23Å; K43-N45 PolarHBondContact O-N 3.39Å; K43-A46 WeakPolarHBondContact O-CB 3.46Å; K43-A46 PolarHBondContact O-N 2.96Å
44L98.1Very high97.7Very high44 Ų4433.6 Ų33.623%0.2317%0.166CC..THydrogen-bonded Turntrans57.632.3179-48.2-179.4000112.8R40 P41 A46 R78 L79 S82R40-L44 PolarHBondContact O-N 3.48Å; R40-L44 VanDerWaalsContact O-N 3.1Å; P41-L44 PolarHBondContact O-N 3.23Å; L44-A46 PolarHBondContact O-N 3.34Å; L44-A46 VanDerWaalsContact O-N 3.16Å; L44-R78 HydrophobicContact CD2-CG 3.92Å; L44-L79 HydrophobicContact CB-CD1 4.05Å; L44-L79 HydrophobicContact CB-CD2 4.09Å; L44-L79 HydrophobicContact CB-CG 4.28Å; L44-L79 HydrophobicContact CD1-CD2 4.29Å; L44-L79 HydrophobicContact CD2-CD2 4.2Å; L44-L79 HydrophobicContact CG-CD2 4.43Å; L44-L79 VanDerWaalsContact O-CD1 3.23Å; L44-L79 WeakPolarHBondContact O-CD1 3.45Å; L44-S82 WeakPolarHBondContact O-CB 3.48Å; L44-S82 PolarHBondContact O-N 2.97Å; L44-S82 PolarHBondContact O-OG 2.9Å; L44-S82 VanDerWaalsContact O-OG 3.09Å
45N98.6Very high97.8Very high0 Ų033.7 Ų33.70%017%0.167CC..THydrogen-bonded Turntrans52.732.9-174.7-55.8-37.7000113.2L38 R40 K43 M76 L79 F80 C81L38-N45 HydrophobicContact CB-CB 3.83Å; L38-N45 HydrophobicContact CD1-CB 4.12Å; L38-N45 PolarHBondContact O-OD1 3.08Å; R40-N45 PolarHBondContact N-OD1 3.48Å; R40-N45 PolarHBondContact O-N 3.23Å; R40-N45 PolarHBondContact O-OD1 3.25Å; K43-N45 PolarHBondContact O-N 3.39Å; N45-M76 PolarHBondContact ND2-N 3.32Å; N45-M76 PolarHBondContact ND2-O 3.46Å; N45-L79 PolarHBondContact ND2-O 3.43Å; N45-F80 VanDerWaalsContact CB-O 3.24Å; N45-F80 WeakPolarHBondContact CB-O 3.38Å; N45-F80 PolarHBondContact ND2-O 3.21Å; N45-C81 HydrophobicContact CB-CB 4.49Å; N45-C81 PolarHBondContact O-SG 2.96Å
46A98.3Very high97.7Very high8 Ų833.7 Ų33.77%0.06617%0.168CC..  trans-56.8140.9170.800000110.1R40 K43 L44 N48 S82 G83 D85R40-A46 PolarHBondContact NH1-O 3.39Å; K43-A46 WeakPolarHBondContact O-CB 3.46Å; K43-A46 PolarHBondContact O-N 2.96Å; L44-A46 PolarHBondContact O-N 3.34Å; L44-A46 VanDerWaalsContact O-N 3.16Å; A46-N48 PolarHBondContact O-N 2.89Å; A46-S82 WeakPolarHBondContact CA-OG 3.27Å; A46-S82 WeakPolarHBondContact CB-OG 3.36Å; A46-S82 PolarHBondContact N-OG 3.16Å; A46-G83 CarbonylContact C-O 3.36Å; A46-G83 VanDerWaalsContact CA-O 3.32Å; A46-G83 WeakPolarHBondContact CA-O 3.5Å; A46-D85 HydrophobicContact CB-CB 3.97Å
47I98.1Very high97.7Very high0 Ų036.8 Ų36.80%018%0.184CC..BIsolated β-bridgetrans-92.899.6-174.4-46.6-175.4000109.3L51 W52 G83 D85 F121 A142I47-L51 HydrophobicContact CG1-CD2 4.39Å; I47-L51 HydrophobicContact CG2-CB 4.2Å; I47-L51 HydrophobicContact CG2-CD2 4.41Å; I47-L51 HydrophobicContact CG2-CG 4.11Å; I47-W52 HydrophobicContact CG2-CB 4.3Å; I47-W52 HydrophobicContact CG2-CD2 3.97Å; I47-W52 HydrophobicContact CG2-CG 3.58Å; I47-G83 PolarHBondContact N-O 3.27Å; I47-D85 WeakPolarHBondContact O-CB 3.37Å; I47-D85 PolarHBondContact O-N 3.42Å; I47-F121 HydrophobicContact CD1-CE1 4.43Å; I47-F121 HydrophobicContact CD1-CZ 3.92Å; I47-A142 HydrophobicContact CD1-CB 3.84Å; I47-A142 HydrophobicContact CG1-CB 4.49Å
48N96.6Very high97.7Very high20 Ų2035.6 Ų35.611%0.10718%0.179CC..  trans-85.2179.217068.6-9.1000110.9H23 A46 T50 L51 W52 D85 S88H23-N48 PolarHBondContact CD2-ND2 3.43Å; H23-N48 PolarHBondContact CD2-OD1 3.02Å; H23-N48 PolarHBondContact NE2-ND2 3.31Å; A46-N48 PolarHBondContact O-N 2.89Å; N48-T50 VanDerWaalsContact C-N 3.34Å; N48-T50 PolarHBondContact O-N 3.07Å; N48-L51 PolarHBondContact O-N 3.17Å; N48-L51 VanDerWaalsContact OD1-CB 3.23Å; N48-L51 WeakPolarHBondContact OD1-CB 3.22Å; N48-L51 PolarHBondContact OD1-N 3.36Å; N48-W52 VanDerWaalsContact O-CD1 3.3Å; N48-W52 PolarHBondContact O-N 3.2Å; N48-D85 HydrophobicContact CB-CB 3.82Å; N48-S88 WeakPolarHBondContact CA-OG 3.42Å
49E94.6Very high97.6Very high87 Ų8735.7 Ų35.741%0.40718%0.179SC..Hα-helixtrans-60.1-41.9-178.7179165.6-158.700112.8W52 Q53 S88 K91E49-W52 WeakPolarHBondContact O-CB 3.46Å; E49-W52 PolarHBondContact O-N 3.23Å; E49-Q53 PolarHBondContact O-N 3.45Å; E49-Q53 VanDerWaalsContact O-N 3.08Å; E49-S88 PolarHBondContact N-OG 3.48Å; E49-K91 IonicContact OE1-NZ 3.77Å; E49-K91 PolarHBondContact OE1-NZ 3.35Å; E49-K91 IonicContact OE2-NZ 2.79Å; E49-K91 PolarHBondContact OE2-NZ 3.44Å
50T96.5Very high97.6Very high51 Ų5135.7 Ų35.731%0.31318%0.183SC..Hα-helixtrans-60-53.4176.5-54.30000110.6E22 N48 W52 Q53 E54E22-T50 HydrophobicContact CB-CG2 4.32Å; N48-T50 VanDerWaalsContact C-N 3.34Å; N48-T50 PolarHBondContact O-N 3.07Å; T50-W52 VanDerWaalsContact C-N 3.29Å; T50-W52 PolarHBondContact O-N 3.05Å; T50-Q53 WeakPolarHBondContact O-CB 3.27Å; T50-Q53 PolarHBondContact O-N 3.07Å; T50-E54 HydrophobicContact CG2-CG 4.14Å; T50-E54 VanDerWaalsContact O-CG 3.28Å; T50-E54 WeakPolarHBondContact O-CG 3.25Å; T50-E54 PolarHBondContact O-N 2.68Å
51L97.8Very high97.6Very high0 Ų037 Ų370%019%0.19CC..Hα-helixtrans-62.2-36.4-178.8-177.752.5000112.2H23 L24 L38 I47 N48 E54 I55H23-L51 HydrophobicContact CB-CB 3.96Å; H23-L51 HydrophobicContact CB-CD1 3.85Å; H23-L51 HydrophobicContact CB-CD2 4.48Å; H23-L51 HydrophobicContact CB-CG 4.31Å; L24-L51 HydrophobicContact CD2-CD1 3.47Å; L24-L51 VanDerWaalsContact CD2-CD1 3.47Å; L24-L51 HydrophobicContact CG-CD1 3.76Å; L38-L51 HydrophobicContact CD2-CD1 4.17Å; L38-L51 HydrophobicContact CD2-CD2 4.34Å; I47-L51 HydrophobicContact CG1-CD2 4.39Å; I47-L51 HydrophobicContact CG2-CB 4.2Å; I47-L51 HydrophobicContact CG2-CD2 4.41Å; I47-L51 HydrophobicContact CG2-CG 4.11Å; N48-L51 PolarHBondContact O-N 3.17Å; N48-L51 VanDerWaalsContact OD1-CB 3.23Å; N48-L51 WeakPolarHBondContact OD1-CB 3.22Å; N48-L51 PolarHBondContact OD1-N 3.36Å; L51-E54 PolarHBondContact O-N 2.95Å; L51-I55 HydrophobicContact CD1-CD1 4.02Å; L51-I55 HydrophobicContact CD1-CG1 3.99Å; L51-I55 HydrophobicContact CG-CD1 3.99Å; L51-I55 HydrophobicContact CG-CG1 4.45Å; L51-I55 WeakPolarHBondContact O-CB 3.42Å; L51-I55 WeakPolarHBondContact O-CD1 3.47Å; L51-I55 WeakPolarHBondContact O-CG1 3.32Å; L51-I55 PolarHBondContact O-N 3.41Å
52W96.9Very high97.6Very high12 Ų1235 Ų355%0.04518%0.177CC..Hα-helixtrans-56.4-49.7171.6-94.8110.3000112.2I47 N48 E49 T50 G56 L117 A120 F121 A142 V174I47-W52 HydrophobicContact CG2-CB 4.3Å; I47-W52 HydrophobicContact CG2-CD2 3.97Å; I47-W52 HydrophobicContact CG2-CG 3.58Å; N48-W52 VanDerWaalsContact O-CD1 3.3Å; N48-W52 PolarHBondContact O-N 3.2Å; E49-W52 WeakPolarHBondContact O-CB 3.46Å; E49-W52 PolarHBondContact O-N 3.23Å; T50-W52 VanDerWaalsContact C-N 3.29Å; T50-W52 PolarHBondContact O-N 3.05Å; W52-G56 PolarHBondContact O-N 2.97Å; W52-L117 HydrophobicContact CB-CD2 4.26Å; W52-L117 HydrophobicContact CD2-CB 4.47Å; W52-L117 HydrophobicContact CD2-CD2 3.58Å; W52-L117 HydrophobicContact CE3-CB 4.16Å; W52-L117 HydrophobicContact CE3-CD2 3.93Å; W52-L117 HydrophobicContact CG-CD2 3.75Å; W52-L117 HydrophobicContact CH2-CB 3.8Å; W52-L117 HydrophobicContact CZ2-CB 4.15Å; W52-L117 HydrophobicContact CZ2-CD1 4.48Å; W52-L117 HydrophobicContact CZ2-CD2 4.33Å; W52-L117 HydrophobicContact CZ3-CB 3.86Å; W52-L117 HydrophobicContact CZ3-CD2 4.47Å; W52-L117 WeakPolarHBondContact CZ3-O 3.28Å; W52-A120 HydrophobicContact CE3-CB 3.63Å; W52-A120 HydrophobicContact CZ3-CB 3.94Å; W52-A120 WeakPolarHBondContact O-CB 3.29Å; W52-F121 HydrophobicContact CD2-CZ 4.49Å; W52-F121 HydrophobicContact CE3-CD1 4.49Å; W52-F121 HydrophobicContact CE3-CE1 4.02Å; W52-F121 HydrophobicContact CE3-CZ 4.06Å; W52-F121 HydrophobicContact CH2-CD1 4.44Å; W52-F121 AromaticContact CH2-CD2 3.62Å; W52-F121 HydrophobicContact CH2-CD2 3.62Å; W52-F121 AromaticContact CH2-CE1 3.97Å; W52-F121 HydrophobicContact CH2-CE1 3.97Å; W52-F121 AromaticContact CH2-CE2 3.06Å; W52-F121 HydrophobicContact CH2-CE2 3.06Å; W52-F121 HydrophobicContact CH2-CG 4.28Å; W52-F121 AromaticContact CH2-CZ 3.25Å; W52-F121 HydrophobicContact CH2-CZ 3.25Å; W52-F121 AromaticContact CZ2-CE2 3.81Å; W52-F121 HydrophobicContact CZ2-CE2 3.81Å; W52-F121 AromaticContact CZ2-CZ 3.75Å; W52-F121 HydrophobicContact CZ2-CZ 3.75Å; W52-F121 AromaticContact CZ3-CD1 3.85Å; W52-F121 HydrophobicContact CZ3-CD1 3.85Å; W52-F121 AromaticContact CZ3-CD2 3.73Å; W52-F121 HydrophobicContact CZ3-CD2 3.73Å; W52-F121 AromaticContact CZ3-CE1 3.57Å; W52-F121 HydrophobicContact CZ3-CE1 3.57Å; W52-F121 AromaticContact CZ3-CE2 3.48Å; W52-F121 HydrophobicContact CZ3-CE2 3.48Å; W52-F121 VanDerWaalsContact CZ3-CE2 3.48Å; W52-F121 AromaticContact CZ3-CG 3.92Å; W52-F121 HydrophobicContact CZ3-CG 3.92Å; W52-F121 AromaticContact CZ3-CZ 3.37Å; W52-F121 HydrophobicContact CZ3-CZ 3.37Å; W52-A142 HydrophobicContact CZ2-CB 4.32Å; W52-V174 HydrophobicContact CH2-CB 3.84Å; W52-V174 HydrophobicContact CH2-CG1 3.84Å; W52-V174 HydrophobicContact CH2-CG2 3.89Å; W52-V174 HydrophobicContact CZ2-CG1 4.25Å; W52-V174 HydrophobicContact CZ2-CG2 4.27Å
53Q96.7Very high97.6Very high73 Ų7329.9 Ų29.934%0.34116%0.157SC..Hα-helixtrans-64.3-46.9179-176.161.952.900111.3E49 T50 I55 G56 D57E49-Q53 PolarHBondContact O-N 3.45Å; E49-Q53 VanDerWaalsContact O-N 3.08Å; T50-Q53 WeakPolarHBondContact O-CB 3.27Å; T50-Q53 PolarHBondContact O-N 3.07Å; Q53-I55 VanDerWaalsContact C-N 3.33Å; Q53-I55 PolarHBondContact O-N 3.4Å; Q53-G56 PolarHBondContact O-N 2.99Å; Q53-G56 VanDerWaalsContact O-N 3.11Å; Q53-D57 WeakPolarHBondContact CG-OD2 3.5Å; Q53-D57 VanDerWaalsContact NE2-CG 3.27Å; Q53-D57 PolarHBondContact NE2-OD1 3.31Å; Q53-D57 PolarHBondContact NE2-OD2 3.37Å; Q53-D57 PolarHBondContact O-N 3.48Å
54E98.2Very high97.5Very high19 Ų1930 Ų309%0.08917%0.168CC..Hα-helixtrans-62.2-37.7-178.6-68.5-173.5159.100112.9F21 E22 H23 L24 T50 L51 D57 C58F21-E54 WeakPolarHBondContact CA-OE1 3.43Å; F21-E54 HydrophobicContact CB-CG 4.4Å; F21-E54 HydrophobicContact CD1-CB 3.77Å; F21-E54 HydrophobicContact CD1-CG 3.74Å; F21-E54 HydrophobicContact CE1-CB 4.38Å; F21-E54 HydrophobicContact CG-CB 4.48Å; E22-E54 WeakPolarHBondContact CB-OE1 3.4Å; E22-E54 PolarHBondContact N-OE1 3.47Å; H23-E54 WeakPolarHBondContact CA-OE2 3.35Å; H23-E54 WeakPolarHBondContact CB-OE2 3.3Å; H23-E54 PolarHBondContact N-OE2 3.18Å; L24-E54 HydrophobicContact CD1-CB 3.85Å; L24-E54 WeakPolarHBondContact CD1-O 3.22Å; L24-E54 HydrophobicContact CG-CB 4.17Å; L24-E54 PolarHBondContact N-OE2 3.03Å; T50-E54 HydrophobicContact CG2-CG 4.14Å; T50-E54 VanDerWaalsContact O-CG 3.28Å; T50-E54 WeakPolarHBondContact O-CG 3.25Å; T50-E54 PolarHBondContact O-N 2.68Å; L51-E54 PolarHBondContact O-N 2.95Å; E54-D57 PolarHBondContact O-N 3.36Å; E54-C58 WeakPolarHBondContact O-CB 3.5Å; E54-C58 PolarHBondContact O-N 2.89Å
55I98.4Very high97.4Very high3 Ų328.9 Ų28.92%0.01516%0.161CC..Hα-helixtrans-59.9-49.2173.9-71.5165.1000109.8L24 L38 L51 Q53 D57 F59 F121 I124 L146L24-I55 HydrophobicContact CD1-CG1 4.25Å; L24-I55 HydrophobicContact CD2-CG1 4.29Å; L38-I55 HydrophobicContact CD2-CD1 4.25Å; L51-I55 HydrophobicContact CD1-CD1 4.02Å; L51-I55 HydrophobicContact CD1-CG1 3.99Å; L51-I55 HydrophobicContact CG-CD1 3.99Å; L51-I55 HydrophobicContact CG-CG1 4.45Å; L51-I55 WeakPolarHBondContact O-CB 3.42Å; L51-I55 WeakPolarHBondContact O-CD1 3.47Å; L51-I55 WeakPolarHBondContact O-CG1 3.32Å; L51-I55 PolarHBondContact O-N 3.41Å; Q53-I55 VanDerWaalsContact C-N 3.33Å; Q53-I55 PolarHBondContact O-N 3.4Å; I55-D57 PolarHBondContact O-N 2.86Å; I55-F59 HydrophobicContact CG2-CD2 4.22Å; I55-F59 HydrophobicContact CG2-CE2 4.48Å; I55-F59 WeakPolarHBondContact O-CD2 3.41Å; I55-F59 PolarHBondContact O-N 2.8Å; I55-F59 VanDerWaalsContact O-N 3.15Å; I55-F121 HydrophobicContact CD1-CE1 4.14Å; I55-F121 HydrophobicContact CG2-CD1 4.15Å; I55-F121 HydrophobicContact CG2-CE1 4.38Å; I55-I124 HydrophobicContact CG2-CD1 3.96Å; I55-L146 HydrophobicContact CD1-CD2 4.26Å; I55-L146 HydrophobicContact CG2-CD1 4.31Å
56G97.6Very high97.1Very high4 Ų434.4 Ų34.44%0.04120%0.197CC..Hα-helixtrans-59.7-44.4179.100000113W52 Q53 S60 N123W52-G56 PolarHBondContact O-N 2.97Å; Q53-G56 PolarHBondContact O-N 2.99Å; Q53-G56 VanDerWaalsContact O-N 3.11Å; G56-S60 WeakPolarHBondContact O-CB 3.47Å; G56-S60 PolarHBondContact O-N 3.46Å; G56-S60 VanDerWaalsContact O-N 3.17Å; G56-S60 PolarHBondContact O-OG 3.48Å; G56-N123 PolarHBondContact O-ND2 3.13Å; G56-N123 VanDerWaalsContact O-ND2 3.11Å
57D97.6Very high96.9Very high65 Ų6536.5 Ų36.535%0.34821%0.211SC..Hα-helixtrans-71.7-44.3-178.6-67.3-21.9000111.7F21 Q53 E54 I55 F59 S60 Q61F21-D57 HydrophobicContact CE1-CB 4.3Å; Q53-D57 WeakPolarHBondContact CG-OD2 3.5Å; Q53-D57 VanDerWaalsContact NE2-CG 3.27Å; Q53-D57 PolarHBondContact NE2-OD1 3.31Å; Q53-D57 PolarHBondContact NE2-OD2 3.37Å; Q53-D57 PolarHBondContact O-N 3.48Å; E54-D57 PolarHBondContact O-N 3.36Å; I55-D57 PolarHBondContact O-N 2.86Å; D57-F59 PolarHBondContact O-N 3.35Å; D57-S60 PolarHBondContact O-N 3.34Å; D57-Q61 WeakPolarHBondContact O-CG 3.27Å; D57-Q61 PolarHBondContact O-N 3.35Å
58C98.2Very high96.9Very high0 Ų036.6 Ų36.60%021%0.212CC..Hα-helixtrans-56.6-51.1178.3-178.40000111.3F21 L24 E54 S60 Q61 L62F21-C58 HydrophobicContact CE1-CB 4.14Å; F21-C58 HydrophobicContact CE2-CB 3.93Å; F21-C58 HydrophobicContact CZ-CB 3.63Å; L24-C58 HydrophobicContact CD1-CB 3.74Å; E54-C58 WeakPolarHBondContact O-CB 3.5Å; E54-C58 PolarHBondContact O-N 2.89Å; C58-S60 VanDerWaalsContact C-N 3.33Å; C58-S60 PolarHBondContact O-N 3Å; C58-Q61 PolarHBondContact O-N 3.04Å; C58-L62 WeakPolarHBondContact O-CB 3.42Å; C58-L62 VanDerWaalsContact O-CG 3.31Å; C58-L62 WeakPolarHBondContact O-CG 3.47Å; C58-L62 PolarHBondContact O-N 2.87Å
59F98.3Very high97Very high1 Ų139.4 Ų39.40%0.00422%0.221CC..Hα-helixtrans-71-28.9-179.4-80.4-87.6000113.1V36 I55 D57 A63 V71 N123 I124 C127 V131V36-F59 HydrophobicContact CG1-CE2 4.46Å; I55-F59 HydrophobicContact CG2-CD2 4.22Å; I55-F59 HydrophobicContact CG2-CE2 4.48Å; I55-F59 WeakPolarHBondContact O-CD2 3.41Å; I55-F59 PolarHBondContact O-N 2.8Å; I55-F59 VanDerWaalsContact O-N 3.15Å; D57-F59 PolarHBondContact O-N 3.35Å; F59-A63 VanDerWaalsContact O-CB 3.27Å; F59-A63 WeakPolarHBondContact O-CB 3.36Å; F59-A63 PolarHBondContact O-N 3.48Å; F59-V71 HydrophobicContact CE1-CB 4.4Å; F59-V71 HydrophobicContact CE1-CG1 3.88Å; F59-V71 HydrophobicContact CZ-CG1 4.11Å; F59-N123 HydrophobicContact CB-CB 4.33Å; F59-I124 HydrophobicContact CB-CG1 4.23Å; F59-I124 HydrophobicContact CD1-CB 4.24Å; F59-I124 HydrophobicContact CD1-CG1 3.88Å; F59-I124 HydrophobicContact CD1-CG2 4.21Å; F59-I124 HydrophobicContact CD2-CD1 4.1Å; F59-I124 HydrophobicContact CD2-CG1 3.58Å; F59-I124 HydrophobicContact CE1-CB 4.43Å; F59-I124 HydrophobicContact CE1-CG1 4.08Å; F59-I124 HydrophobicContact CE1-CG2 3.96Å; F59-I124 HydrophobicContact CE2-CD1 3.92Å; F59-I124 HydrophobicContact CE2-CG1 3.8Å; F59-I124 HydrophobicContact CG-CB 4.4Å; F59-I124 HydrophobicContact CG-CG1 3.61Å; F59-I124 HydrophobicContact CZ-CD1 4.26Å; F59-I124 HydrophobicContact CZ-CG1 4.04Å; F59-I124 HydrophobicContact CZ-CG2 4.31Å; F59-C127 HydrophobicContact CD1-CB 4.48Å; F59-V131 HydrophobicContact CD1-CG2 4.22Å; F59-V131 HydrophobicContact CE1-CB 4.34Å; F59-V131 HydrophobicContact CE1-CG1 3.67Å; F59-V131 HydrophobicContact CE1-CG2 3.68Å; F59-V131 HydrophobicContact CZ-CG1 3.97Å
60S97.2Very high97.1Very high52 Ų5235.3 Ų35.336%0.36420%0.202SC..Hα-helixtrans-64.6-42.1170.9-59.30000111.8G56 D57 C58 A63 N123G56-S60 WeakPolarHBondContact O-CB 3.47Å; G56-S60 PolarHBondContact O-N 3.46Å; G56-S60 VanDerWaalsContact O-N 3.17Å; G56-S60 PolarHBondContact O-OG 3.48Å; D57-S60 PolarHBondContact O-N 3.34Å; C58-S60 VanDerWaalsContact C-N 3.33Å; C58-S60 PolarHBondContact O-N 3Å; S60-A63 WeakPolarHBondContact O-CB 3.36Å; S60-A63 PolarHBondContact O-N 2.94Å; S60-N123 PolarHBondContact OG-ND2 3.45Å
61Q97.7Very high97.3Very high46 Ų4632.9 Ų32.922%0.21519%0.187CC..Hα-helixtrans-69.3-44.6177-66.8177.530.600111.5L18 S19 D57 C58 A63 V64 H65L18-Q61 HydrophobicContact CD2-CB 3.47Å; L18-Q61 VanDerWaalsContact CD2-CB 3.47Å; L18-Q61 HydrophobicContact CD2-CG 4.48Å; S19-Q61 PolarHBondContact OG-NE2 3.3Å; D57-Q61 WeakPolarHBondContact O-CG 3.27Å; D57-Q61 PolarHBondContact O-N 3.35Å; C58-Q61 PolarHBondContact O-N 3.04Å; Q61-A63 PolarHBondContact O-N 2.98Å; Q61-V64 WeakPolarHBondContact O-CG2 3.14Å; Q61-V64 PolarHBondContact O-N 3.26Å; Q61-V64 VanDerWaalsContact O-N 3.16Å; Q61-H65 WeakPolarHBondContact O-CB 3.13Å; Q61-H65 PolarHBondContact O-N 3.07Å
62L97.8Very high97.3Very high0 Ų032.9 Ų32.90%019%0.187CC..Hα-helixtrans-62.2-31.9176.1-68.9173.8000112.4L18 I34 V36 C58 V64 H65 C68 V71 K129L18-L62 HydrophobicContact CD1-CD2 3.8Å; L18-L62 HydrophobicContact CD2-CD2 4.23Å; I34-L62 HydrophobicContact CB-CD2 4.25Å; I34-L62 HydrophobicContact CG1-CD2 4.16Å; I34-L62 HydrophobicContact CG2-CD1 4.32Å; I34-L62 HydrophobicContact CG2-CD2 3.81Å; V36-L62 HydrophobicContact CG2-CD1 3.71Å; C58-L62 WeakPolarHBondContact O-CB 3.42Å; C58-L62 VanDerWaalsContact O-CG 3.31Å; C58-L62 WeakPolarHBondContact O-CG 3.47Å; C58-L62 PolarHBondContact O-N 2.87Å; L62-V64 PolarHBondContact O-N 2.92Å; L62-H65 PolarHBondContact O-N 3.3Å; L62-C68 HydrophobicContact CD2-CB 4.29Å; L62-V71 HydrophobicContact CD1-CG1 4.19Å; L62-V71 HydrophobicContact CD1-CG2 3.97Å; L62-K129 WeakPolarHBondContact O-CD 3.31Å; L62-K129 PolarHBondContact O-NZ 2.93Å
63A97.7Very high97.4Very high25 Ų2532.4 Ų32.421%0.20719%0.185CC..Hα-helixtrans-60.3-24.8176.900000113.5F59 S60 Q61 C127 K129F59-A63 VanDerWaalsContact O-CB 3.27Å; F59-A63 WeakPolarHBondContact O-CB 3.36Å; F59-A63 PolarHBondContact O-N 3.48Å; S60-A63 WeakPolarHBondContact O-CB 3.36Å; S60-A63 PolarHBondContact O-N 2.94Å; Q61-A63 PolarHBondContact O-N 2.98Å; A63-C127 HydrophobicContact CB-CB 4.24Å; A63-K129 PolarHBondContact O-NZ 2.98Å
64V96.4Very high97.5Very high120 Ų12029.1 Ų29.173%0.72717%0.17SC*.Hα-helixtrans-114.3-8.3176.5-62.10000113.9Q61 L62Q61-V64 WeakPolarHBondContact O-CG2 3.14Å; Q61-V64 PolarHBondContact O-N 3.26Å; Q61-V64 VanDerWaalsContact O-N 3.16Å; L62-V64 PolarHBondContact O-N 2.92Å
65H96.6Very high97.5Very high21 Ų2128.5 Ų28.510%0.09717%0.169CC..  trans-64.1124.4-178.3-163.5-76000111.9I15 A16 Q61 L62 S67 C68 K129I15-H65 WeakPolarHBondContact CG2-NE2 3.3Å; A16-H65 PolarHBondContact O-NE2 3.41Å; Q61-H65 WeakPolarHBondContact O-CB 3.13Å; Q61-H65 PolarHBondContact O-N 3.07Å; L62-H65 PolarHBondContact O-N 3.3Å; H65-S67 PolarHBondContact ND1-N 2.98Å; H65-S67 PolarHBondContact O-N 3.27Å; H65-C68 HydrophobicContact CB-CB 4.13Å; H65-C68 PolarHBondContact O-N 3.38Å; H65-K129 PolarHBondContact O-NZ 3.45Å
66P92.9Very high97.5Very high116 Ų11631.5 Ų31.575%0.75318%0.184SC*.THydrogen-bonded Turntrans-71-33.9-171.225.9-34.3000113.1C68P66-C68 VanDerWaalsContact C-N 3.29Å; P66-C68 PolarHBondContact O-N 3.34Å
67S93.6Very high97.5Very high51 Ų5133.5 Ų33.536%0.35720%0.204SC..THydrogen-bonded Turntrans-78.3-11.9179.3-47.30000113.4N32 H65N32-S67 VanDerWaalsContact CA-O 3.23Å; N32-S67 WeakPolarHBondContact CA-O 3.46Å; N32-S67 WeakPolarHBondContact CB-O 2.98Å; N32-S67 PolarHBondContact ND2-O 3.17Å; H65-S67 PolarHBondContact ND1-N 2.98Å; H65-S67 PolarHBondContact O-N 3.27Å
68C97.4Very high97.5Very high2 Ų239 Ų391%0.01422%0.22CC..  trans-89.8123-179179.40000110.2I34 L62 H65 P66 K129I34-C68 HydrophobicContact CG1-CB 3.79Å; L62-C68 HydrophobicContact CD2-CB 4.29Å; H65-C68 HydrophobicContact CB-CB 4.13Å; H65-C68 PolarHBondContact O-N 3.38Å; P66-C68 VanDerWaalsContact C-N 3.29Å; P66-C68 PolarHBondContact O-N 3.34Å; C68-K129 WeakPolarHBondContact O-CE 3.47Å
69R98Very high97.5Very high80 Ų8039.8 Ų39.830%0.30222%0.224SC..SBendtrans-113.5-30.9169.9-67.8-178.2-179.1-1681.3112.7N32 K129 P130 S233 P237N32-R69 HydrophobicContact CB-CB 3.81Å; N32-R69 HydrophobicContact CB-CG 3.72Å; N32-R69 PolarHBondContact O-N 3.45Å; R69-K129 WeakPolarHBondContact O-CB 3.35Å; R69-K129 WeakPolarHBondContact O-CG 3.46Å; R69-P130 WeakPolarHBondContact O-CD 3.17Å; R69-S233 WeakPolarHBondContact CD-O 3.48Å; R69-S233 PolarHBondContact NH1-O 2.63Å; R69-P237 HydrophobicContact CG-CB 4.29Å
70V98.8Very high97.5Very high1 Ų139.7 Ų39.71%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-141142.7-179-172.60000109N32 V33 I34 P130 L132 A229 I232N32-V70 PolarHBondContact O-N 3.24Å; V33-V70 WeakPolarHBondContact CA-O 3.31Å; I34-V70 PolarHBondContact N-O 3Å; V70-P130 HydrophobicContact CG1-CB 4.47Å; V70-L132 HydrophobicContact CG1-CD1 3.29Å; V70-A229 HydrophobicContact CB-CB 4.34Å; V70-A229 HydrophobicContact CG1-CB 3.65Å; V70-I232 HydrophobicContact CG2-CB 3.89Å; V70-I232 HydrophobicContact CG2-CG2 3.55Å
71V98.8Very high97.6Very high0 Ų037.2 Ų37.20%021%0.206CC..EExtended strand (participates in β ladder)trans-113.8133.8175.3-174.60000109.4I34 V36 F59 L62 P130 V131 L132I34-V71 CarbonylContact O-C 3.58Å; I34-V71 VanDerWaalsContact O-CA 3.27Å; I34-V71 WeakPolarHBondContact O-CA 3.48Å; V36-V71 HydrophobicContact CB-CG1 4.44Å; V36-V71 HydrophobicContact CG2-CG1 3.8Å; F59-V71 HydrophobicContact CE1-CB 4.4Å; F59-V71 HydrophobicContact CE1-CG1 3.88Å; F59-V71 HydrophobicContact CZ-CG1 4.11Å; L62-V71 HydrophobicContact CD1-CG1 4.19Å; L62-V71 HydrophobicContact CD1-CG2 3.97Å; V71-P130 PolarHBondContact N-O 3.41Å; V71-V131 HydrophobicContact CB-CG1 4.3Å; V71-V131 HydrophobicContact CB-CG2 4.22Å; V71-V131 HydrophobicContact CG1-CG1 4.35Å; V71-V131 CarbonylContact O-C 3.59Å; V71-V131 WeakPolarHBondContact O-CA 3.45Å; V71-L132 PolarHBondContact O-N 3.19Å
72V98.9Very high97.6Very high0 Ų036.8 Ų36.80%021%0.208CC..EExtended strand (participates in β ladder)trans-104.6132.6165.6176.70000108V33 I34 H35 V36 L132 L222 I225 V226 A229V33-V72 HydrophobicContact CG1-CG2 3.94Å; I34-V72 PolarHBondContact O-N 3.17Å; H35-V72 CarbonylContact C-O 3.02Å; H35-V72 WeakPolarHBondContact CA-O 3.42Å; H35-V72 PolarHBondContact CD2-O 2.87Å; V36-V72 PolarHBondContact N-O 2.88Å; V72-L132 CarbonylContact C-O 3.57Å; V72-L132 VanDerWaalsContact CA-O 3.28Å; V72-L132 WeakPolarHBondContact CA-O 3.4Å; V72-L222 HydrophobicContact CG1-CD1 4.05Å; V72-I225 HydrophobicContact CG1-CG2 3.76Å; V72-V226 HydrophobicContact CG1-CG2 4.44Å; V72-V226 HydrophobicContact CG2-CG2 4.34Å; V72-A229 HydrophobicContact CG2-CB 3.65Å
73L98.9Very high97.6Very high2 Ų236.9 Ų36.91%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-115.3127175.8178.164.3000110.1V36 F80 V131 L132 C133 S134 L146 T150V36-L73 HydrophobicContact CB-CD1 4.2Å; V36-L73 HydrophobicContact CG1-CD1 3.99Å; V36-L73 VanDerWaalsContact O-CA 3.32Å; V36-L73 WeakPolarHBondContact O-CA 3.4Å; L73-F80 HydrophobicContact CD2-CZ 4.44Å; L73-F80 HydrophobicContact CG-CE2 4.43Å; L73-V131 HydrophobicContact CB-CG1 4.46Å; L73-L132 PolarHBondContact N-O 3.17Å; L73-C133 WeakPolarHBondContact O-CA 3.32Å; L73-S134 PolarHBondContact O-N 3.02Å; L73-L146 HydrophobicContact CD2-CD1 3.84Å; L73-L146 HydrophobicContact CD2-CD2 4.17Å; L73-L146 HydrophobicContact CD2-CG 3.92Å; L73-T150 HydrophobicContact CD2-CG2 3.91Å
74S98.8Very high97.6Very high4 Ų438.4 Ų38.43%0.02821%0.213CC..EExtended strand (participates in β ladder)trans-144.4178171.470.70000111.7H35 V36 Q37 L38H35-S74 PolarHBondContact NE2-OG 2.92Å; V36-S74 PolarHBondContact O-N 3.16Å; V36-S74 VanDerWaalsContact O-N 3.1Å; Q37-S74 CarbonylContact C-O 3.53Å; Q37-S74 VanDerWaalsContact CA-O 3.3Å; Q37-S74 WeakPolarHBondContact CA-O 3.14Å; L38-S74 PolarHBondContact N-O 3.18Å
75G98.6Very high97.5Very high6 Ų633.4 Ų33.46%0.06218%0.182CC..EExtended strand (participates in β ladder)trans-110.1148.9171.500000111.9H136G75-H136 PolarHBondContact O-CE1 2.89Å; G75-H136 VanDerWaalsContact O-CE1 3.3Å
76M98.2Very high97Very high66 Ų6640.9 Ų40.933%0.32522%0.215SC..  trans-83.1152169.7-75.9-71.2-74.300111.2Q37 L38 P41 N45Q37-M76 HydrophobicContact CB-CG 4.13Å; Q37-M76 PolarHBondContact OE1-SD 3.11Å; L38-M76 VanDerWaalsContact O-CB 3.28Å; L38-M76 WeakPolarHBondContact O-CB 3.5Å; L38-M76 PolarHBondContact O-N 2.97Å; P41-M76 HydrophobicContact CB-CB 4.28Å; P41-M76 HydrophobicContact CG-CB 4.36Å; N45-M76 PolarHBondContact ND2-N 3.32Å; N45-M76 PolarHBondContact ND2-O 3.46Å
77G97.6Very high96.6Very high45 Ų4541.4 Ų41.446%0.46421%0.211SC..SBendtrans82.2-149.1173.600000113.8L79 H136G77-L79 PolarHBondContact O-N 3.07Å; G77-H136 PolarHBondContact O-NE2 3.17Å
78R97.3Very high96.2Very high181 Ų18139.9 Ų39.968%0.68320%0.201SC*.SBendtrans-76-17.8-164.476.3-176.3-155.7-160.41115.6L44L44-R78 HydrophobicContact CD2-CG 3.92Å
79L98.6Very high95.4Very high16 Ų1642.9 Ų42.98%0.08421%0.214CC..SBendtrans-153.4165.8-17760.684.6000110.6L44 N45 G77 C81 H136 A138L44-L79 HydrophobicContact CB-CD1 4.05Å; L44-L79 HydrophobicContact CB-CD2 4.09Å; L44-L79 HydrophobicContact CB-CG 4.28Å; L44-L79 HydrophobicContact CD1-CD2 4.29Å; L44-L79 HydrophobicContact CD2-CD2 4.2Å; L44-L79 HydrophobicContact CG-CD2 4.43Å; L44-L79 VanDerWaalsContact O-CD1 3.23Å; L44-L79 WeakPolarHBondContact O-CD1 3.45Å; N45-L79 PolarHBondContact ND2-O 3.43Å; G77-L79 PolarHBondContact O-N 3.07Å; L79-C81 VanDerWaalsContact CD1-N 3.32Å; L79-H136 CarbonylContact C-O 3.32Å; L79-H136 WeakPolarHBondContact CA-O 3.31Å; L79-H136 PolarHBondContact N-NE2 3.22Å; L79-A138 HydrophobicContact CB-CB 4.06Å; L79-A138 HydrophobicContact CD1-CB 4.26Å; L79-A138 HydrophobicContact CD2-CB 3.89Å; L79-A138 HydrophobicContact CG-CB 4.3Å
80F98.9Very high94.7Very high0 Ų041.7 Ų41.70%022%0.221CC..SBendtrans-66.7-65.8178.7176.5-102.4000112.2L38 N45 L73 V135 H136 A138 C139 L146 F147L38-F80 HydrophobicContact CD1-CE2 4.42Å; L38-F80 HydrophobicContact CD1-CZ 4.27Å; N45-F80 VanDerWaalsContact CB-O 3.24Å; N45-F80 WeakPolarHBondContact CB-O 3.38Å; N45-F80 PolarHBondContact ND2-O 3.21Å; L73-F80 HydrophobicContact CD2-CZ 4.44Å; L73-F80 HydrophobicContact CG-CE2 4.43Å; F80-V135 HydrophobicContact CB-CB 4.39Å; F80-V135 HydrophobicContact CB-CG1 3.86Å; F80-V135 HydrophobicContact CB-CG2 4.43Å; F80-V135 HydrophobicContact CD1-CG2 4.14Å; F80-V135 HydrophobicContact CD2-CG2 3.98Å; F80-V135 HydrophobicContact CE1-CG2 4.41Å; F80-V135 HydrophobicContact CE2-CG2 4.27Å; F80-V135 HydrophobicContact CG-CB 4.4Å; F80-V135 HydrophobicContact CG-CG1 4.21Å; F80-V135 HydrophobicContact CG-CG2 3.91Å; F80-V135 HydrophobicContact CZ-CG2 4.47Å; F80-H136 PolarHBondContact N-O 3.22Å; F80-A138 WeakPolarHBondContact CB-O 3.37Å; F80-A138 PolarHBondContact N-O 3.3Å; F80-C139 HydrophobicContact CD1-CB 4.04Å; F80-L146 HydrophobicContact CE1-CD2 4.44Å; F80-L146 HydrophobicContact CZ-CD2 4.13Å; F80-L146 HydrophobicContact CZ-CG 4.47Å; F80-F147 HydrophobicContact CE1-CB 4.45Å
81C98.8Very high93.9Very high0 Ų045.7 Ų45.70%024%0.238CC..BIsolated β-bridgetrans-160.5129.2-178.6-179.80000112.1L38 N45 L79 G83 A138 I140 G143L38-C81 HydrophobicContact CD1-CB 3.86Å; N45-C81 HydrophobicContact CB-CB 4.49Å; N45-C81 PolarHBondContact O-SG 2.96Å; L79-C81 VanDerWaalsContact CD1-N 3.32Å; C81-G83 VanDerWaalsContact C-N 3.33Å; C81-G83 PolarHBondContact SG-N 3.12Å; C81-G83 VanDerWaalsContact SG-N 3.42Å; C81-A138 PolarHBondContact N-O 3.46Å; C81-I140 PolarHBondContact O-N 2.88Å; C81-G143 WeakPolarHBondContact SG-CA 3.44Å
82S98.2Very high93.2Very high37 Ų3747.7 Ų47.726%0.25925%0.249SC..  trans-82.2-4.1178.861.90000114.8L44 A46L44-S82 WeakPolarHBondContact O-CB 3.48Å; L44-S82 PolarHBondContact O-N 2.97Å; L44-S82 PolarHBondContact O-OG 2.9Å; L44-S82 VanDerWaalsContact O-OG 3.09Å; A46-S82 WeakPolarHBondContact CA-OG 3.27Å; A46-S82 WeakPolarHBondContact CB-OG 3.36Å; A46-S82 PolarHBondContact N-OG 3.16Å
83G97.5Very high92.6Very high2 Ų249.4 Ų49.42%0.02126%0.261CS..  trans101.8-150.7178.300000113.5A46 I47 C81 I140A46-G83 CarbonylContact C-O 3.36Å; A46-G83 VanDerWaalsContact CA-O 3.32Å; A46-G83 WeakPolarHBondContact CA-O 3.5Å; I47-G83 PolarHBondContact N-O 3.27Å; C81-G83 VanDerWaalsContact C-N 3.33Å; C81-G83 PolarHBondContact SG-N 3.12Å; C81-G83 VanDerWaalsContact SG-N 3.42Å; G83-I140 WeakPolarHBondContact CA-O 3.32Å; G83-I140 PolarHBondContact N-O 2.92Å
84I96.1Very high92.1Very high56 Ų5652.7 Ų52.729%0.28728%0.284SS..BIsolated β-bridgetrans-67.4137.1-176.8-168.5168.9000111.2F89 A142I84-F89 HydrophobicContact CD1-CB 4.46Å; I84-A142 HydrophobicContact CB-CB 4.47Å
85D95.4Very high91.7Very high15 Ų1553.6 Ų53.68%0.0829%0.288CS..  trans-73.3145173.9-170.1-68000111R40 A46 I47 N48 N87 S88 F89R40-D85 IonicContact CZ-OD2 2.67Å; R40-D85 IonicContact NH1-OD2 3.76Å; R40-D85 PolarHBondContact NH1-OD2 3.1Å; R40-D85 IonicContact NH2-OD2 3.22Å; R40-D85 PolarHBondContact NH2-OD2 3.08Å; A46-D85 HydrophobicContact CB-CB 3.97Å; I47-D85 WeakPolarHBondContact O-CB 3.37Å; I47-D85 PolarHBondContact O-N 3.42Å; N48-D85 HydrophobicContact CB-CB 3.82Å; D85-N87 PolarHBondContact O-N 3.46Å; D85-N87 WeakPolarHBondContact OD1-CB 3.31Å; D85-N87 PolarHBondContact OD1-N 2.89Å; D85-S88 WeakPolarHBondContact O-CB 3.48Å; D85-S88 PolarHBondContact O-N 3.46Å; D85-S88 VanDerWaalsContact O-N 3.07Å; D85-F89 PolarHBondContact O-N 3.09Å
86F85.5Confident91.1Very high179 Ų17955.3 Ų55.379%0.78530%0.302SS*.Hα-helixtrans-54.5-37.1178.8-70-75.5000113.1F89 A90F86-F89 PolarHBondContact O-N 2.79Å; F86-A90 WeakPolarHBondContact O-CB 3.38Å; F86-A90 PolarHBondContact O-N 3.13Å
87N85.3Confident90.8Very high126 Ų12661 Ų6167%0.67432%0.321SS*.Hα-helixtrans-68.8-37.7179.3-70.4-21.5000111.8D85 F89 A90 K91D85-N87 PolarHBondContact O-N 3.46Å; D85-N87 WeakPolarHBondContact OD1-CB 3.31Å; D85-N87 PolarHBondContact OD1-N 2.89Å; N87-F89 VanDerWaalsContact C-N 3.35Å; N87-A90 PolarHBondContact O-N 3.2Å; N87-K91 PolarHBondContact O-N 3.45Å; N87-K91 VanDerWaalsContact O-N 3.16Å
88S84Confident90.5Very high19 Ų1961.4 Ų61.413%0.13331%0.313CS..Hα-helixtrans-67.2-38.6173.5-74.90000111.6N48 E49 D85 A90 K91 L92N48-S88 WeakPolarHBondContact CA-OG 3.42Å; E49-S88 PolarHBondContact N-OG 3.48Å; D85-S88 WeakPolarHBondContact O-CB 3.48Å; D85-S88 PolarHBondContact O-N 3.46Å; D85-S88 VanDerWaalsContact O-N 3.07Å; S88-A90 VanDerWaalsContact C-N 3.34Å; S88-K91 PolarHBondContact O-N 3.45Å; S88-L92 PolarHBondContact O-N 2.99Å
89F80.7Confident90.3Very high66 Ų6661.8 Ų61.829%0.28932%0.322SS..Hα-helixtrans-64-39173.4-169-101.9000112.2I84 D85 F86 N87 K91 L92 S93 F170I84-F89 HydrophobicContact CD1-CB 4.46Å; D85-F89 PolarHBondContact O-N 3.09Å; F86-F89 PolarHBondContact O-N 2.79Å; N87-F89 VanDerWaalsContact C-N 3.35Å; F89-K91 VanDerWaalsContact C-N 3.31Å; F89-K91 PolarHBondContact O-N 2.78Å; F89-L92 WeakPolarHBondContact O-CB 3.41Å; F89-L92 PolarHBondContact O-N 3.24Å; F89-S93 PolarHBondContact O-N 3.35Å; F89-S93 PolarHBondContact O-OG 3.09Å; F89-F170 AromaticContact CE2-CE1 3.77Å; F89-F170 HydrophobicContact CE2-CE1 3.77Å; F89-F170 HydrophobicContact CE2-CZ 4.4Å
90A83Confident90.1Very high54 Ų5470.5 Ų70.545%0.44636%0.359SS..Hα-helixtrans-63-35.817600000112.6F86 N87 S88 L92 S93 S94F86-A90 WeakPolarHBondContact O-CB 3.38Å; F86-A90 PolarHBondContact O-N 3.13Å; N87-A90 PolarHBondContact O-N 3.2Å; S88-A90 VanDerWaalsContact C-N 3.34Å; A90-L92 VanDerWaalsContact C-N 3.35Å; A90-S93 WeakPolarHBondContact O-CB 3.43Å; A90-S93 PolarHBondContact O-N 3.31Å; A90-S94 PolarHBondContact O-N 3.46Å
91K83.3Confident89.8Confident85 Ų8572.2 Ų72.237%0.3737%0.368SS..Hα-helixtrans-65.4-36.4174.2-170.1174.3-172.2168.90112.6E49 N87 S88 F89 S94 I95E49-K91 IonicContact OE1-NZ 3.77Å; E49-K91 PolarHBondContact OE1-NZ 3.35Å; E49-K91 IonicContact OE2-NZ 2.79Å; E49-K91 PolarHBondContact OE2-NZ 3.44Å; N87-K91 PolarHBondContact O-N 3.45Å; N87-K91 VanDerWaalsContact O-N 3.16Å; S88-K91 PolarHBondContact O-N 3.45Å; F89-K91 VanDerWaalsContact C-N 3.31Å; F89-K91 PolarHBondContact O-N 2.78Å; K91-S94 PolarHBondContact O-N 2.93Å; K91-S94 PolarHBondContact O-OG 3.06Å; K91-I95 PolarHBondContact O-N 2.67Å
92L84.1Confident89.6Confident43 Ų4375.4 Ų75.423%0.22539%0.385CS..Hα-helixtrans-64-45.9173.3-171.470.8000110.6S88 F89 A90 S94 I95 A96 L110 L113S88-L92 PolarHBondContact O-N 2.99Å; F89-L92 WeakPolarHBondContact O-CB 3.41Å; F89-L92 PolarHBondContact O-N 3.24Å; A90-L92 VanDerWaalsContact C-N 3.35Å; L92-S94 VanDerWaalsContact C-N 3.33Å; L92-S94 PolarHBondContact O-N 2.96Å; L92-I95 PolarHBondContact O-N 2.85Å; L92-A96 PolarHBondContact O-N 3.29Å; L92-L110 HydrophobicContact CD1-CD2 3.51Å; L92-L110 HydrophobicContact CG-CD2 4.38Å; L92-L113 HydrophobicContact CD1-CD2 3.95Å
93S85.3Confident89.5Confident36 Ų3679.3 Ų79.325%0.25241%0.408SS..Hα-helixtrans-60.1-40.5176.2-65.50000112.1F89 A90 I95 A96 Y97F89-S93 PolarHBondContact O-N 3.35Å; F89-S93 PolarHBondContact O-OG 3.09Å; A90-S93 WeakPolarHBondContact O-CB 3.43Å; A90-S93 PolarHBondContact O-N 3.31Å; S93-I95 VanDerWaalsContact C-N 3.29Å; S93-I95 PolarHBondContact O-N 3.4Å; S93-A96 PolarHBondContact O-N 3.32Å; S93-A96 VanDerWaalsContact O-N 3.16Å; S93-Y97 WeakPolarHBondContact O-CD2 3.44Å; S93-Y97 PolarHBondContact O-N 2.95Å
94S90Very high89.4Confident71 Ų7181.9 Ų81.950%0.49743%0.429SS..Hα-helixtrans-64.1-33.6-178.873.60000113A90 K91 L92 N98A90-S94 PolarHBondContact O-N 3.46Å; K91-S94 PolarHBondContact O-N 2.93Å; K91-S94 PolarHBondContact O-OG 3.06Å; L92-S94 VanDerWaalsContact C-N 3.33Å; L92-S94 PolarHBondContact O-N 2.96Å; S94-N98 WeakPolarHBondContact O-CB 3.5Å; S94-N98 PolarHBondContact O-N 3.25Å
95I88.9Confident89.4Confident23 Ų2386.9 Ų86.912%0.11844%0.444CS..Hα-helixtrans-68.7-47.6172.8-61.6170000110.1K91 L92 S93 Y97 N98 Q109 L110 L113K91-I95 PolarHBondContact O-N 2.67Å; L92-I95 PolarHBondContact O-N 2.85Å; S93-I95 VanDerWaalsContact C-N 3.29Å; S93-I95 PolarHBondContact O-N 3.4Å; I95-Y97 PolarHBondContact O-N 3.18Å; I95-N98 PolarHBondContact O-N 3.16Å; I95-Q109 HydrophobicContact CG2-CB 3.83Å; I95-L110 HydrophobicContact CB-CD2 3.96Å; I95-L110 HydrophobicContact CD1-CD2 4.4Å; I95-L110 HydrophobicContact CG2-CD2 3.72Å; I95-L110 HydrophobicContact CG2-CG 3.75Å; I95-L113 HydrophobicContact CD1-CD2 3.92Å
96A87.1Confident89.4Confident42 Ų4287.9 Ų87.935%0.34745%0.448SS..Hα-helixtrans-61.6-41.7-178.200000112.6L92 S93 K106L92-A96 PolarHBondContact O-N 3.29Å; S93-A96 PolarHBondContact O-N 3.32Å; S93-A96 VanDerWaalsContact O-N 3.16Å; A96-K106 WeakPolarHBondContact O-CD 3.5Å; A96-K106 PolarHBondContact O-NZ 3.48Å
97Y90.5Very high89.9Confident185 Ų18581.9 Ų81.973%0.72543%0.431SS*.THydrogen-bonded Turntrans-90.97.8-178.6-65.4-69.2000114.2S93 I95 E99S93-Y97 WeakPolarHBondContact O-CD2 3.44Å; S93-Y97 PolarHBondContact O-N 2.95Å; I95-Y97 PolarHBondContact O-N 3.18Å; Y97-E99 PolarHBondContact O-N 2.93Å
98N92.3Very high90.4Very high54 Ų5482.5 Ų82.529%0.28943%0.428SS..  trans-69.798.3178.3-171.6-19.5000111.6S94 I95 K100 L101 K106S94-N98 WeakPolarHBondContact O-CB 3.5Å; S94-N98 PolarHBondContact O-N 3.25Å; I95-N98 PolarHBondContact O-N 3.16Å; N98-K100 PolarHBondContact O-N 3.46Å; N98-K100 VanDerWaalsContact O-N 3.16Å; N98-K100 WeakPolarHBondContact OD1-CB 3.42Å; N98-K100 PolarHBondContact OD1-N 2.73Å; N98-L101 HydrophobicContact CB-CD1 4.27Å; N98-L101 PolarHBondContact O-N 3.01Å; N98-K106 WeakPolarHBondContact O-CE 3.35Å; N98-K106 PolarHBondContact O-NZ 3.38Å; N98-K106 VanDerWaalsContact O-NZ 3.11Å
99E92.8Very high90.9Very high189 Ų18985.7 Ų85.788%0.88344%0.441SS*.THydrogen-bonded Turntrans-66.3-14.4-178.1-62.4-172.4163.900114.5Y97 L101Y97-E99 PolarHBondContact O-N 2.93Å; E99-L101 PolarHBondContact O-N 2.89Å
100K94Very high91.5Very high198 Ų19884.4 Ų84.486%0.86144%0.437SS*.THydrogen-bonded Turntrans-77.3-11177.5-57.2-178.6179.3179.80113.2N98N98-K100 PolarHBondContact O-N 3.46Å; N98-K100 VanDerWaalsContact O-N 3.16Å; N98-K100 WeakPolarHBondContact OD1-CB 3.42Å; N98-K100 PolarHBondContact OD1-N 2.73Å
101L92.5Very high92.1Very high37 Ų3788.8 Ų88.819%0.19444%0.442CS..SBendtrans-112.8139.9-179.2-59.8176.5000109.5N98 E99 R105 K106 Q109N98-L101 HydrophobicContact CB-CD1 4.27Å; N98-L101 PolarHBondContact O-N 3.01Å; E99-L101 PolarHBondContact O-N 2.89Å; L101-R105 HydrophobicContact CB-CB 4.24Å; L101-R105 HydrophobicContact CD2-CB 4.3Å; L101-K106 HydrophobicContact CB-CG 3.8Å; L101-K106 HydrophobicContact CD1-CG 4.41Å; L101-K106 WeakPolarHBondContact O-CE 3.34Å; L101-Q109 VanDerWaalsContact CD1-NE2 3.33Å
102D95.8Very high92.7Very high66 Ų6687.5 Ų87.535%0.35345%0.447SS..  trans-71.2167.1164.664.878.8000111.4A104 R105 K106D102-A104 VanDerWaalsContact C-N 3.29Å; D102-A104 PolarHBondContact O-N 3.22Å; D102-A104 WeakPolarHBondContact OD1-CA 3.42Å; D102-A104 VanDerWaalsContact OD1-CB 3.31Å; D102-A104 WeakPolarHBondContact OD1-CB 3.4Å; D102-A104 PolarHBondContact OD1-N 2.76Å; D102-R105 PolarHBondContact O-N 2.92Å; D102-R105 PolarHBondContact OD1-N 2.95Å; D102-R105 WeakPolarHBondContact OD2-CD 3.48Å; D102-R105 VanDerWaalsContact OD2-CG 3.32Å; D102-R105 WeakPolarHBondContact OD2-CG 3.27Å; D102-R105 IonicContact OD2-CZ 3.27Å; D102-R105 IonicContact OD2-NE 2.72Å; D102-R105 IonicContact OD2-NH1 2.87Å; D102-R105 PolarHBondContact OD2-NH1 2.94Å; D102-K106 WeakPolarHBondContact O-CG 3.46Å; D102-K106 PolarHBondContact O-N 3.17Å
103T95Very high93.2Very high119 Ų11987 Ų8773%0.7344%0.444SS*.Hα-helixtrans-55.4-39.3-178.4-53.40000113.5K106 A107T103-K106 PolarHBondContact O-N 2.87Å; T103-A107 WeakPolarHBondContact O-CB 3.47Å; T103-A107 PolarHBondContact O-N 2.85Å
104A96.8Very high93.6Very high57 Ų5787.2 Ų87.247%0.47144%0.442SS..Hα-helixtrans-69.6-44.2-178.600000110.9D102 K106 A107 F108D102-A104 VanDerWaalsContact C-N 3.29Å; D102-A104 PolarHBondContact O-N 3.22Å; D102-A104 WeakPolarHBondContact OD1-CA 3.42Å; D102-A104 VanDerWaalsContact OD1-CB 3.31Å; D102-A104 WeakPolarHBondContact OD1-CB 3.4Å; D102-A104 PolarHBondContact OD1-N 2.76Å; A104-K106 VanDerWaalsContact C-N 3.34Å; A104-K106 PolarHBondContact O-N 3.4Å; A104-A107 WeakPolarHBondContact O-CB 3.23Å; A104-A107 PolarHBondContact O-N 3.47Å; A104-A107 VanDerWaalsContact O-N 3.16Å; A104-F108 VanDerWaalsContact O-CD2 3.29Å; A104-F108 WeakPolarHBondContact O-CD2 3.41Å; A104-F108 PolarHBondContact O-N 3.43Å; A104-F108 VanDerWaalsContact O-N 3.1Å
105R96.3Very high94Very high160 Ų16088 Ų8860%0.60444%0.438SS*.Hα-helixtrans-62.2-39.3176.3-72.4-17817285.1-2.3112.3L101 D102 F108 Q109L101-R105 HydrophobicContact CB-CB 4.24Å; L101-R105 HydrophobicContact CD2-CB 4.3Å; D102-R105 PolarHBondContact O-N 2.92Å; D102-R105 PolarHBondContact OD1-N 2.95Å; D102-R105 WeakPolarHBondContact OD2-CD 3.48Å; D102-R105 VanDerWaalsContact OD2-CG 3.32Å; D102-R105 WeakPolarHBondContact OD2-CG 3.27Å; D102-R105 IonicContact OD2-CZ 3.27Å; D102-R105 IonicContact OD2-NE 2.72Å; D102-R105 IonicContact OD2-NH1 2.87Å; D102-R105 PolarHBondContact OD2-NH1 2.94Å; R105-F108 PolarHBondContact O-N 2.85Å; R105-Q109 PolarHBondContact O-N 2.71Å
106K95.4Very high94.3Very high37 Ų3791.8 Ų91.816%0.16145%0.454CS..Hα-helixtrans-60.8-45.4172.1-65.3177.1-169.7-166.20111.7A96 N98 L101 D102 T103 A104 F108 Q109 L110A96-K106 WeakPolarHBondContact O-CD 3.5Å; A96-K106 PolarHBondContact O-NZ 3.48Å; N98-K106 WeakPolarHBondContact O-CE 3.35Å; N98-K106 PolarHBondContact O-NZ 3.38Å; N98-K106 VanDerWaalsContact O-NZ 3.11Å; L101-K106 HydrophobicContact CB-CG 3.8Å; L101-K106 HydrophobicContact CD1-CG 4.41Å; L101-K106 WeakPolarHBondContact O-CE 3.34Å; D102-K106 WeakPolarHBondContact O-CG 3.46Å; D102-K106 PolarHBondContact O-N 3.17Å; T103-K106 PolarHBondContact O-N 2.87Å; A104-K106 VanDerWaalsContact C-N 3.34Å; A104-K106 PolarHBondContact O-N 3.4Å; K106-F108 VanDerWaalsContact C-N 3.32Å; K106-F108 PolarHBondContact O-N 3.14Å; K106-Q109 PolarHBondContact O-N 3.44Å; K106-Q109 VanDerWaalsContact O-N 3.13Å; K106-L110 WeakPolarHBondContact O-CG 3.2Å; K106-L110 PolarHBondContact O-N 3.43Å
107A94.6Very high94.7Very high52 Ų5291.4 Ų91.443%0.4345%0.446SS..Hα-helixtrans-59.8-40.8-179.600000112.3T103 A104 L110 R111T103-A107 WeakPolarHBondContact O-CB 3.47Å; T103-A107 PolarHBondContact O-N 2.85Å; A104-A107 WeakPolarHBondContact O-CB 3.23Å; A104-A107 PolarHBondContact O-N 3.47Å; A104-A107 VanDerWaalsContact O-N 3.16Å; A107-L110 PolarHBondContact O-N 2.88Å; A107-R111 VanDerWaalsContact O-CB 3.3Å; A107-R111 WeakPolarHBondContact O-CB 3.3Å; A107-R111 PolarHBondContact O-N 2.86Å
108F96Very high95.1Very high140 Ų14085.9 Ų85.961%0.61443%0.426SS*.Hα-helixtrans-63.6-39.6174.6-83.4-77.4000112.9A104 R105 K106 A112A104-F108 VanDerWaalsContact O-CD2 3.29Å; A104-F108 WeakPolarHBondContact O-CD2 3.41Å; A104-F108 PolarHBondContact O-N 3.43Å; A104-F108 VanDerWaalsContact O-N 3.1Å; R105-F108 PolarHBondContact O-N 2.85Å; K106-F108 VanDerWaalsContact C-N 3.32Å; K106-F108 PolarHBondContact O-N 3.14Å; F108-A112 PolarHBondContact O-N 3.17Å
109Q95.1Very high95.4Very high85 Ų8585.3 Ų85.340%0.39743%0.429SS..Hα-helixtrans-67.4-44176.1-68.8-173.79.300112.1I95 L101 R105 K106 R111 A112 L113I95-Q109 HydrophobicContact CG2-CB 3.83Å; L101-Q109 VanDerWaalsContact CD1-NE2 3.33Å; R105-Q109 PolarHBondContact O-N 2.71Å; K106-Q109 PolarHBondContact O-N 3.44Å; K106-Q109 VanDerWaalsContact O-N 3.13Å; Q109-R111 VanDerWaalsContact C-N 3.34Å; Q109-A112 PolarHBondContact O-N 3.1Å; Q109-L113 PolarHBondContact O-N 3.1Å
110L93.7Very high95.6Very high40 Ų4076.7 Ų76.721%0.20939%0.39CS..Hα-helixtrans-61.6-43.9176.1-71173.5000111.2L92 I95 K106 A107 A112 L113 I114L92-L110 HydrophobicContact CD1-CD2 3.51Å; L92-L110 HydrophobicContact CG-CD2 4.38Å; I95-L110 HydrophobicContact CB-CD2 3.96Å; I95-L110 HydrophobicContact CD1-CD2 4.4Å; I95-L110 HydrophobicContact CG2-CD2 3.72Å; I95-L110 HydrophobicContact CG2-CG 3.75Å; K106-L110 WeakPolarHBondContact O-CG 3.2Å; K106-L110 PolarHBondContact O-N 3.43Å; A107-L110 PolarHBondContact O-N 2.88Å; L110-A112 PolarHBondContact O-N 3.23Å; L110-L113 PolarHBondContact O-N 3Å; L110-I114 WeakPolarHBondContact O-CB 3.27Å; L110-I114 VanDerWaalsContact O-CG1 3.27Å; L110-I114 WeakPolarHBondContact O-CG1 3.46Å; L110-I114 PolarHBondContact O-N 3.14Å
111R95.4Very high95.8Very high145 Ų14567.2 Ų67.255%0.54735%0.349SS..Hα-helixtrans-57.7-49.9175.8178.6-178.9167.2-158.4-8.7111.5A107 Q109 L113 I114 E115A107-R111 VanDerWaalsContact O-CB 3.3Å; A107-R111 WeakPolarHBondContact O-CB 3.3Å; A107-R111 PolarHBondContact O-N 2.86Å; Q109-R111 VanDerWaalsContact C-N 3.34Å; R111-L113 VanDerWaalsContact C-N 3.28Å; R111-L113 PolarHBondContact O-N 3.08Å; R111-I114 PolarHBondContact O-N 2.93Å; R111-E115 HydrophobicContact CG-CG 4.39Å; R111-E115 IonicContact CZ-OE1 3.01Å; R111-E115 VanDerWaalsContact CZ-OE1 3.27Å; R111-E115 IonicContact NE-OE1 3.4Å; R111-E115 PolarHBondContact NE-OE1 2.81Å; R111-E115 IonicContact NH2-OE1 2.76Å; R111-E115 PolarHBondContact NH2-OE1 2.96Å; R111-E115 WeakPolarHBondContact O-CB 3.5Å; R111-E115 WeakPolarHBondContact O-CG 3.4Å; R111-E115 PolarHBondContact O-N 2.7Å
112A95.3Very high96.1Very high58 Ų5867.1 Ų67.148%0.47935%0.35SS..Hα-helixtrans-60.9-38.5179.600000112F108 Q109 L110 K116F108-A112 PolarHBondContact O-N 3.17Å; Q109-A112 PolarHBondContact O-N 3.1Å; L110-A112 PolarHBondContact O-N 3.23Å; A112-K116 PolarHBondContact O-N 2.76Å; A112-K116 VanDerWaalsContact O-N 3.1Å
113L93.8Very high96.2Very high33 Ų3365.8 Ų65.817%0.17334%0.343CS..Hα-helixtrans-63.8-50.5173.9177.260.5000111.2L92 I95 Q109 L110 R111 E115 K116 L117L92-L113 HydrophobicContact CD1-CD2 3.95Å; I95-L113 HydrophobicContact CD1-CD2 3.92Å; Q109-L113 PolarHBondContact O-N 3.1Å; L110-L113 PolarHBondContact O-N 3Å; R111-L113 VanDerWaalsContact C-N 3.28Å; R111-L113 PolarHBondContact O-N 3.08Å; L113-E115 VanDerWaalsContact C-N 3.33Å; L113-E115 PolarHBondContact O-N 2.78Å; L113-K116 WeakPolarHBondContact O-CB 3.29Å; L113-K116 PolarHBondContact O-N 3.08Å; L113-K116 VanDerWaalsContact O-N 3.11Å; L113-L117 HydrophobicContact CD1-CD1 4.34Å; L113-L117 HydrophobicContact CD1-CD2 4.37Å; L113-L117 HydrophobicContact CD1-CG 4.19Å; L113-L117 HydrophobicContact CG-CD1 4.22Å; L113-L117 HydrophobicContact CG-CG 4.44Å; L113-L117 WeakPolarHBondContact O-CG 3.38Å; L113-L117 PolarHBondContact O-N 3.15Å
114I95.1Very high96.4Very high40 Ų4060.1 Ų60.121%0.20531%0.308CS..Hα-helixtrans-59.8-43.8-179.5-68.6163.7000110.7L110 R111 K116 L117 Q118 D173L110-I114 WeakPolarHBondContact O-CB 3.27Å; L110-I114 VanDerWaalsContact O-CG1 3.27Å; L110-I114 WeakPolarHBondContact O-CG1 3.46Å; L110-I114 PolarHBondContact O-N 3.14Å; R111-I114 PolarHBondContact O-N 2.93Å; I114-K116 VanDerWaalsContact C-N 3.31Å; I114-K116 PolarHBondContact O-N 3.01Å; I114-L117 PolarHBondContact O-N 3.43Å; I114-Q118 HydrophobicContact CG2-CG 4.2Å; I114-Q118 WeakPolarHBondContact O-CB 3.49Å; I114-Q118 VanDerWaalsContact O-CG 3.27Å; I114-Q118 WeakPolarHBondContact O-CG 3.13Å; I114-Q118 PolarHBondContact O-N 2.82Å; I114-D173 HydrophobicContact CG2-CB 4.37Å
115E97.2Very high96.4Very high88 Ų8858.9 Ų58.941%0.41129%0.293SS..Hα-helixtrans-60-40.6175.7-74.1175.317200111.5R111 L113 A119R111-E115 HydrophobicContact CG-CG 4.39Å; R111-E115 IonicContact CZ-OE1 3.01Å; R111-E115 VanDerWaalsContact CZ-OE1 3.27Å; R111-E115 IonicContact NE-OE1 3.4Å; R111-E115 PolarHBondContact NE-OE1 2.81Å; R111-E115 IonicContact NH2-OE1 2.76Å; R111-E115 PolarHBondContact NH2-OE1 2.96Å; R111-E115 WeakPolarHBondContact O-CB 3.5Å; R111-E115 WeakPolarHBondContact O-CG 3.4Å; R111-E115 PolarHBondContact O-N 2.7Å; L113-E115 VanDerWaalsContact C-N 3.33Å; L113-E115 PolarHBondContact O-N 2.78Å; E115-A119 WeakPolarHBondContact O-CB 3.31Å; E115-A119 PolarHBondContact O-N 3.34Å
116K95.8Very high96.5Very high103 Ų10358.2 Ų58.245%0.44829%0.294SS..Hα-helixtrans-63-45.4174.2-176.6-175.6176.8-176.70111.9A112 L113 I114 A119 A120A112-K116 PolarHBondContact O-N 2.76Å; A112-K116 VanDerWaalsContact O-N 3.1Å; L113-K116 WeakPolarHBondContact O-CB 3.29Å; L113-K116 PolarHBondContact O-N 3.08Å; L113-K116 VanDerWaalsContact O-N 3.11Å; I114-K116 VanDerWaalsContact C-N 3.31Å; I114-K116 PolarHBondContact O-N 3.01Å; K116-A119 WeakPolarHBondContact O-CB 3.41Å; K116-A119 PolarHBondContact O-N 3.07Å; K116-A120 PolarHBondContact O-N 2.91Å
117L96.1Very high96.6Very high33 Ų3356.4 Ų56.417%0.17329%0.286CS..Hα-helixtrans-64.7-48178.4-61.2179.7000110.3W52 L113 I114 A119 A120 V174W52-L117 HydrophobicContact CB-CD2 4.26Å; W52-L117 HydrophobicContact CD2-CB 4.47Å; W52-L117 HydrophobicContact CD2-CD2 3.58Å; W52-L117 HydrophobicContact CE3-CB 4.16Å; W52-L117 HydrophobicContact CE3-CD2 3.93Å; W52-L117 HydrophobicContact CG-CD2 3.75Å; W52-L117 HydrophobicContact CH2-CB 3.8Å; W52-L117 HydrophobicContact CZ2-CB 4.15Å; W52-L117 HydrophobicContact CZ2-CD1 4.48Å; W52-L117 HydrophobicContact CZ2-CD2 4.33Å; W52-L117 HydrophobicContact CZ3-CB 3.86Å; W52-L117 HydrophobicContact CZ3-CD2 4.47Å; W52-L117 WeakPolarHBondContact CZ3-O 3.28Å; L113-L117 HydrophobicContact CD1-CD1 4.34Å; L113-L117 HydrophobicContact CD1-CD2 4.37Å; L113-L117 HydrophobicContact CD1-CG 4.19Å; L113-L117 HydrophobicContact CG-CD1 4.22Å; L113-L117 HydrophobicContact CG-CG 4.44Å; L113-L117 WeakPolarHBondContact O-CG 3.38Å; L113-L117 PolarHBondContact O-N 3.15Å; I114-L117 PolarHBondContact O-N 3.43Å; L117-A119 PolarHBondContact O-N 3.05Å; L117-A120 WeakPolarHBondContact O-CB 3.42Å; L117-A120 PolarHBondContact O-N 3.11Å; L117-A120 VanDerWaalsContact O-N 3.09Å; L117-V174 HydrophobicContact CB-CG1 3.82Å; L117-V174 HydrophobicContact CD1-CG1 4.47Å
118Q98.2Very high96.7Very high69 Ų6955 Ų5532%0.32227%0.273SS..Hα-helixtrans-53.9-40.7174.7-75.1173.1-0.500112.5I114 A120 F121 T122 D173I114-Q118 HydrophobicContact CG2-CG 4.2Å; I114-Q118 WeakPolarHBondContact O-CB 3.49Å; I114-Q118 VanDerWaalsContact O-CG 3.27Å; I114-Q118 WeakPolarHBondContact O-CG 3.13Å; I114-Q118 PolarHBondContact O-N 2.82Å; Q118-A120 VanDerWaalsContact C-N 3.32Å; Q118-A120 PolarHBondContact O-N 3.26Å; Q118-F121 PolarHBondContact O-N 3.31Å; Q118-T122 VanDerWaalsContact O-CB 3.22Å; Q118-T122 WeakPolarHBondContact O-CB 3.12Å; Q118-T122 PolarHBondContact O-N 3.41Å; Q118-T122 PolarHBondContact O-OG1 3.12Å; Q118-D173 WeakPolarHBondContact CG-O 3.37Å; Q118-D173 PolarHBondContact NE2-O 3.43Å
119A98Very high96.8Very high42 Ų4248.9 Ų48.935%0.34725%0.246SC..Hα-helixtrans-59.7-39.5179.100000112.7E115 K116 L117 F121 T122 N123E115-A119 WeakPolarHBondContact O-CB 3.31Å; E115-A119 PolarHBondContact O-N 3.34Å; K116-A119 WeakPolarHBondContact O-CB 3.41Å; K116-A119 PolarHBondContact O-N 3.07Å; L117-A119 PolarHBondContact O-N 3.05Å; A119-F121 PolarHBondContact O-N 3.44Å; A119-T122 PolarHBondContact O-N 2.89Å; A119-N123 VanDerWaalsContact O-CG 3.25Å; A119-N123 PolarHBondContact O-N 3.45Å; A119-N123 PolarHBondContact O-OD1 2.88Å
120A97.7Very high97Very high8 Ų845.4 Ų45.47%0.06623%0.231CC..Hα-helixtrans-59.7-46.1-178.600000112.7W52 K116 L117 Q118W52-A120 HydrophobicContact CE3-CB 3.63Å; W52-A120 HydrophobicContact CZ3-CB 3.94Å; W52-A120 WeakPolarHBondContact O-CB 3.29Å; K116-A120 PolarHBondContact O-N 2.91Å; L117-A120 WeakPolarHBondContact O-CB 3.42Å; L117-A120 PolarHBondContact O-N 3.11Å; L117-A120 VanDerWaalsContact O-N 3.09Å; Q118-A120 VanDerWaalsContact C-N 3.32Å; Q118-A120 PolarHBondContact O-N 3.26Å
121F98.3Very high97.3Very high0 Ų043.5 Ų43.50%022%0.221CC..Hα-helixtrans-77.1-31.2175-61.4-22.3000112.4I47 W52 I55 Q118 A119 N123 I124 A142 N145 L146 V174I47-F121 HydrophobicContact CD1-CE1 4.43Å; I47-F121 HydrophobicContact CD1-CZ 3.92Å; W52-F121 HydrophobicContact CD2-CZ 4.49Å; W52-F121 HydrophobicContact CE3-CD1 4.49Å; W52-F121 HydrophobicContact CE3-CE1 4.02Å; W52-F121 HydrophobicContact CE3-CZ 4.06Å; W52-F121 HydrophobicContact CH2-CD1 4.44Å; W52-F121 AromaticContact CH2-CD2 3.62Å; W52-F121 HydrophobicContact CH2-CD2 3.62Å; W52-F121 AromaticContact CH2-CE1 3.97Å; W52-F121 HydrophobicContact CH2-CE1 3.97Å; W52-F121 AromaticContact CH2-CE2 3.06Å; W52-F121 HydrophobicContact CH2-CE2 3.06Å; W52-F121 HydrophobicContact CH2-CG 4.28Å; W52-F121 AromaticContact CH2-CZ 3.25Å; W52-F121 HydrophobicContact CH2-CZ 3.25Å; W52-F121 AromaticContact CZ2-CE2 3.81Å; W52-F121 HydrophobicContact CZ2-CE2 3.81Å; W52-F121 AromaticContact CZ2-CZ 3.75Å; W52-F121 HydrophobicContact CZ2-CZ 3.75Å; W52-F121 AromaticContact CZ3-CD1 3.85Å; W52-F121 HydrophobicContact CZ3-CD1 3.85Å; W52-F121 AromaticContact CZ3-CD2 3.73Å; W52-F121 HydrophobicContact CZ3-CD2 3.73Å; W52-F121 AromaticContact CZ3-CE1 3.57Å; W52-F121 HydrophobicContact CZ3-CE1 3.57Å; W52-F121 AromaticContact CZ3-CE2 3.48Å; W52-F121 HydrophobicContact CZ3-CE2 3.48Å; W52-F121 VanDerWaalsContact CZ3-CE2 3.48Å; W52-F121 AromaticContact CZ3-CG 3.92Å; W52-F121 HydrophobicContact CZ3-CG 3.92Å; W52-F121 AromaticContact CZ3-CZ 3.37Å; W52-F121 HydrophobicContact CZ3-CZ 3.37Å; I55-F121 HydrophobicContact CD1-CE1 4.14Å; I55-F121 HydrophobicContact CG2-CD1 4.15Å; I55-F121 HydrophobicContact CG2-CE1 4.38Å; Q118-F121 PolarHBondContact O-N 3.31Å; A119-F121 PolarHBondContact O-N 3.44Å; F121-N123 PolarHBondContact O-N 3.03Å; F121-I124 HydrophobicContact CD1-CD1 4.48Å; F121-I124 VanDerWaalsContact O-CB 3.29Å; F121-I124 WeakPolarHBondContact O-CB 3.28Å; F121-I124 PolarHBondContact O-N 3.49Å; F121-I124 VanDerWaalsContact O-N 3.11Å; F121-A142 WeakPolarHBondContact CZ-O 3.42Å; F121-N145 HydrophobicContact CD2-CB 3.87Å; F121-N145 HydrophobicContact CE2-CB 3.64Å; F121-L146 HydrophobicContact CD1-CB 4.23Å; F121-L146 HydrophobicContact CD1-CD1 3.87Å; F121-L146 HydrophobicContact CE1-CB 3.8Å; F121-L146 HydrophobicContact CE1-CD1 3.91Å; F121-L146 HydrophobicContact CE1-CG 4.35Å; F121-L146 HydrophobicContact CE2-CB 4.38Å; F121-L146 HydrophobicContact CZ-CB 3.88Å; F121-V174 HydrophobicContact CD2-CB 4.4Å; F121-V174 HydrophobicContact CD2-CG2 4.24Å; F121-V174 HydrophobicContact CE2-CB 4.47Å; F121-V174 HydrophobicContact CE2-CG2 3.93Å
122T98.5Very high97.4Very high34 Ų3436.6 Ų36.621%0.20920%0.195CC..Hα-helixtrans-65.4-28176.3-590000112.1Q118 A119 I124 E125 K126 R179Q118-T122 VanDerWaalsContact O-CB 3.22Å; Q118-T122 WeakPolarHBondContact O-CB 3.12Å; Q118-T122 PolarHBondContact O-N 3.41Å; Q118-T122 PolarHBondContact O-OG1 3.12Å; A119-T122 PolarHBondContact O-N 2.89Å; T122-I124 PolarHBondContact O-N 3.21Å; T122-E125 PolarHBondContact O-N 2.94Å; T122-K126 HydrophobicContact CG2-CD 4.11Å; T122-K126 HydrophobicContact CG2-CG 4.2Å; T122-K126 WeakPolarHBondContact O-CB 3.46Å; T122-K126 WeakPolarHBondContact O-CG 3.39Å; T122-K126 PolarHBondContact O-N 3.03Å; T122-R179 PolarHBondContact OG1-NH2 2.87Å; T122-R179 VanDerWaalsContact OG1-NH2 3.11Å
123N98Very high97.6Very high38 Ų3833.8 Ų33.820%0.20317%0.172CC..Hα-helixtrans-63.4-25.5173.7-74.1-7.9000113.1G56 F59 S60 A119 F121 C127G56-N123 PolarHBondContact O-ND2 3.13Å; G56-N123 VanDerWaalsContact O-ND2 3.11Å; F59-N123 HydrophobicContact CB-CB 4.33Å; S60-N123 PolarHBondContact OG-ND2 3.45Å; A119-N123 VanDerWaalsContact O-CG 3.25Å; A119-N123 PolarHBondContact O-N 3.45Å; A119-N123 PolarHBondContact O-OD1 2.88Å; F121-N123 PolarHBondContact O-N 3.03Å; N123-C127 WeakPolarHBondContact O-CB 3.32Å; N123-C127 PolarHBondContact O-N 2.86Å
124I98.6Very high97.8Very high0 Ų032.3 Ų32.30%016%0.164CC..Hα-helixtrans-68.3-44.3174-58.1174.5000110.3I55 F59 F121 T122 C127 V131 L146 S149 T150 K244I55-I124 HydrophobicContact CG2-CD1 3.96Å; F59-I124 HydrophobicContact CB-CG1 4.23Å; F59-I124 HydrophobicContact CD1-CB 4.24Å; F59-I124 HydrophobicContact CD1-CG1 3.88Å; F59-I124 HydrophobicContact CD1-CG2 4.21Å; F59-I124 HydrophobicContact CD2-CD1 4.1Å; F59-I124 HydrophobicContact CD2-CG1 3.58Å; F59-I124 HydrophobicContact CE1-CB 4.43Å; F59-I124 HydrophobicContact CE1-CG1 4.08Å; F59-I124 HydrophobicContact CE1-CG2 3.96Å; F59-I124 HydrophobicContact CE2-CD1 3.92Å; F59-I124 HydrophobicContact CE2-CG1 3.8Å; F59-I124 HydrophobicContact CG-CB 4.4Å; F59-I124 HydrophobicContact CG-CG1 3.61Å; F59-I124 HydrophobicContact CZ-CD1 4.26Å; F59-I124 HydrophobicContact CZ-CG1 4.04Å; F59-I124 HydrophobicContact CZ-CG2 4.31Å; F121-I124 HydrophobicContact CD1-CD1 4.48Å; F121-I124 VanDerWaalsContact O-CB 3.29Å; F121-I124 WeakPolarHBondContact O-CB 3.28Å; F121-I124 PolarHBondContact O-N 3.49Å; F121-I124 VanDerWaalsContact O-N 3.11Å; T122-I124 PolarHBondContact O-N 3.21Å; I124-C127 WeakPolarHBondContact O-CB 3.23Å; I124-C127 PolarHBondContact O-N 3.47Å; I124-V131 HydrophobicContact CG2-CB 4.03Å; I124-V131 HydrophobicContact CG2-CG1 3.88Å; I124-V131 HydrophobicContact CG2-CG2 3.91Å; I124-L146 HydrophobicContact CD1-CD1 3.21Å; I124-S149 VanDerWaalsContact CD1-OG 3.24Å; I124-S149 WeakPolarHBondContact CD1-OG 3.07Å; I124-S149 VanDerWaalsContact CG2-O 3.3Å; I124-S149 WeakPolarHBondContact CG2-O 3.32Å; I124-T150 HydrophobicContact CG2-CG2 4.29Å; I124-K244 PolarHBondContact O-NZ 2.97Å
125E97.6Very high98Very high32 Ų3230.4 Ų30.415%0.1515%0.154CC..Hα-helixtrans-69.8-38.5177.7-169.9176.911000111.7T122 C127 R179 K244 N248 R251T122-E125 PolarHBondContact O-N 2.94Å; E125-C127 VanDerWaalsContact C-N 3.33Å; E125-R179 IonicContact OE2-CZ 2.8Å; E125-R179 IonicContact OE2-NE 3.56Å; E125-R179 PolarHBondContact OE2-NE 3.4Å; E125-K244 WeakPolarHBondContact O-CE 3.3Å; E125-N248 PolarHBondContact O-ND2 3.1Å; E125-R251 VanDerWaalsContact CD-NH1 3.28Å; E125-R251 IonicContact OE1-CZ 3.74Å; E125-R251 IonicContact OE1-NH1 2.73Å; E125-R251 PolarHBondContact OE1-NH1 2.9Å; E125-R251 IonicContact OE1-NH2 3.81Å; E125-R251 PolarHBondContact OE1-NH2 2.98Å; E125-R251 IonicContact OE2-CZ 2.63Å; E125-R251 IonicContact OE2-NH1 3.61Å; E125-R251 PolarHBondContact OE2-NH1 2.64Å; E125-R251 IonicContact OE2-NH2 3.54Å
126K97.2Very high98.1Very high145 Ų14526.8 Ų26.863%0.6314%0.137SC*.Hα-helixtrans-72.3-22.7175.9-73-179.2175.1177.70113.6T122 P128T122-K126 HydrophobicContact CG2-CD 4.11Å; T122-K126 HydrophobicContact CG2-CG 4.2Å; T122-K126 WeakPolarHBondContact O-CB 3.46Å; T122-K126 WeakPolarHBondContact O-CG 3.39Å; T122-K126 PolarHBondContact O-N 3.03Å; K126-P128 WeakPolarHBondContact O-CD 3.36Å
127C98.2Very high98.2Very high0 Ų022.3 Ų22.30%012%0.12CC..SBendtrans-60121.2174.3178.80000108.9F59 A63 N123 I124 E125 K129 K244F59-C127 HydrophobicContact CD1-CB 4.48Å; A63-C127 HydrophobicContact CB-CB 4.24Å; N123-C127 WeakPolarHBondContact O-CB 3.32Å; N123-C127 PolarHBondContact O-N 2.86Å; I124-C127 WeakPolarHBondContact O-CB 3.23Å; I124-C127 PolarHBondContact O-N 3.47Å; E125-C127 VanDerWaalsContact C-N 3.33Å; C127-K129 PolarHBondContact O-N 2.91Å; C127-K244 WeakPolarHBondContact O-CD 3.23Å; C127-K244 WeakPolarHBondContact O-CE 3.29Å; C127-K244 PolarHBondContact O-NZ 2.97Å
128P97.5Very high98.3Very high22 Ų2220.9 Ų20.914%0.14311%0.113CC..SBendtrans-70.3-17.3-17526.6-32.9000112.5K126 Q241K126-P128 WeakPolarHBondContact O-CD 3.36Å; P128-Q241 HydrophobicContact CB-CB 4.14Å; P128-Q241 HydrophobicContact CB-CG 4.15Å; P128-Q241 WeakPolarHBondContact O-CA 3.47Å; P128-Q241 VanDerWaalsContact O-CG 3.31Å; P128-Q241 WeakPolarHBondContact O-CG 3.49Å
129K98.3Very high98.4Very high11 Ų1117.6 Ų17.65%0.04810%0.098CC..SBendtrans-77.7142.2176.9-66.891.1-175.4-158.80110.5L62 A63 H65 C68 R69 C127 V131 K244L62-K129 WeakPolarHBondContact O-CD 3.31Å; L62-K129 PolarHBondContact O-NZ 2.93Å; A63-K129 PolarHBondContact O-NZ 2.98Å; H65-K129 PolarHBondContact O-NZ 3.45Å; C68-K129 WeakPolarHBondContact O-CE 3.47Å; R69-K129 WeakPolarHBondContact O-CB 3.35Å; R69-K129 WeakPolarHBondContact O-CG 3.46Å; C127-K129 PolarHBondContact O-N 2.91Å; K129-V131 PolarHBondContact O-N 3.36Å; K129-K244 PolarHBondContact O-NZ 2.95Å
130P98.8Very high98.4Very high12 Ų1216.6 Ų16.68%0.0789%0.086CC..  trans-59.3136.6171.3-23.634.7000111.4R69 V70 V71 L132 D151 I232 V240R69-P130 WeakPolarHBondContact O-CD 3.17Å; V70-P130 HydrophobicContact CG1-CB 4.47Å; V71-P130 PolarHBondContact N-O 3.41Å; P130-L132 HydrophobicContact CB-CD1 3.86Å; P130-D151 WeakPolarHBondContact CA-OD2 3.39Å; P130-I232 HydrophobicContact CG-CG2 4.11Å; P130-V240 HydrophobicContact CG-CG1 3.25Å
131V98.9Very high98.4Very high0 Ų016.5 Ų16.50%09%0.086CC..EExtended strand (participates in β ladder)trans-117.8114176.9-173.10000107.9F59 V71 L73 I124 K129 T150 D151 I152F59-V131 HydrophobicContact CD1-CG2 4.22Å; F59-V131 HydrophobicContact CE1-CB 4.34Å; F59-V131 HydrophobicContact CE1-CG1 3.67Å; F59-V131 HydrophobicContact CE1-CG2 3.68Å; F59-V131 HydrophobicContact CZ-CG1 3.97Å; V71-V131 HydrophobicContact CB-CG1 4.3Å; V71-V131 HydrophobicContact CB-CG2 4.22Å; V71-V131 HydrophobicContact CG1-CG1 4.35Å; V71-V131 CarbonylContact O-C 3.59Å; V71-V131 WeakPolarHBondContact O-CA 3.45Å; L73-V131 HydrophobicContact CB-CG1 4.46Å; I124-V131 HydrophobicContact CG2-CB 4.03Å; I124-V131 HydrophobicContact CG2-CG1 3.88Å; I124-V131 HydrophobicContact CG2-CG2 3.91Å; K129-V131 PolarHBondContact O-N 3.36Å; V131-T150 HydrophobicContact CG1-CG2 3.98Å; V131-D151 PolarHBondContact N-OD2 3.33Å; V131-D151 WeakPolarHBondContact O-CB 3.47Å; V131-D151 PolarHBondContact O-N 3.43Å; V131-I152 PolarHBondContact O-N 2.98Å
132L98.9Very high98.4Very high0 Ų016.9 Ų16.90%09%0.089CC..EExtended strand (participates in β ladder)trans-107.6132.2-176.9-63.969.5000108.7V70 V71 V72 L73 P130 I152 I225 L228 A229 I232V70-L132 HydrophobicContact CG1-CD1 3.29Å; V71-L132 PolarHBondContact O-N 3.19Å; V72-L132 CarbonylContact C-O 3.57Å; V72-L132 VanDerWaalsContact CA-O 3.28Å; V72-L132 WeakPolarHBondContact CA-O 3.4Å; L73-L132 PolarHBondContact N-O 3.17Å; P130-L132 HydrophobicContact CB-CD1 3.86Å; L132-I152 CarbonylContact C-O 3.56Å; L132-I152 VanDerWaalsContact CA-O 3.29Å; L132-I152 WeakPolarHBondContact CA-O 3.46Å; L132-I152 HydrophobicContact CD2-CD1 4.45Å; L132-I152 HydrophobicContact CG-CB 4.07Å; L132-I152 HydrophobicContact CG-CD1 4.31Å; L132-I225 HydrophobicContact CB-CD1 3.87Å; L132-I225 HydrophobicContact CB-CG1 3.61Å; L132-I225 HydrophobicContact CD2-CG1 3.92Å; L132-I225 HydrophobicContact CG-CG1 4.39Å; L132-L228 HydrophobicContact CD2-CB 4.22Å; L132-L228 HydrophobicContact CD2-CD2 3.72Å; L132-L228 HydrophobicContact CD2-CG 3.77Å; L132-A229 HydrophobicContact CD2-CB 4.19Å; L132-I232 HydrophobicContact CD1-CD1 4.42Å; L132-I232 HydrophobicContact CD2-CD1 4.1Å
133C98.9Very high98.3Very high0 Ų015.2 Ų15.20%08%0.079CC..EExtended strand (participates in β ladder)trans-115.2129.1-176-168.60000112.3L73 F147 T150 I152 R153 Y154 I225L73-C133 WeakPolarHBondContact O-CA 3.32Å; C133-F147 HydrophobicContact CB-CD2 4.42Å; C133-T150 HydrophobicContact CB-CG2 3.84Å; C133-T150 WeakPolarHBondContact CB-OG1 3.24Å; C133-I152 PolarHBondContact N-O 2.97Å; C133-R153 HydrophobicContact CB-CG 4.29Å; C133-R153 WeakPolarHBondContact O-CA 3.48Å; C133-Y154 PolarHBondContact O-N 3.17Å; C133-I225 VanDerWaalsContact C-CD1 3.48Å; C133-I225 WeakPolarHBondContact O-CD1 3.48Å
134S98.8Very high98.4Very high1 Ų113.5 Ų13.51%0.0077%0.069CC..EExtended strand (participates in β ladder)trans-108119.2170177.40000109.8L73 Y154 L222L73-S134 PolarHBondContact O-N 3.02Å; S134-Y154 WeakPolarHBondContact CA-O 3.39Å; S134-L222 PolarHBondContact OG-N 3.05Å
135V98.8Very high98.3Very high0 Ų013.5 Ų13.50%07%0.069CC..EExtended strand (participates in β ladder)trans-108.9138.7-179.5172.90000111.1F80 C139 F147 Y154 C155 S156 A159 F161F80-V135 HydrophobicContact CB-CB 4.39Å; F80-V135 HydrophobicContact CB-CG1 3.86Å; F80-V135 HydrophobicContact CB-CG2 4.43Å; F80-V135 HydrophobicContact CD1-CG2 4.14Å; F80-V135 HydrophobicContact CD2-CG2 3.98Å; F80-V135 HydrophobicContact CE1-CG2 4.41Å; F80-V135 HydrophobicContact CE2-CG2 4.27Å; F80-V135 HydrophobicContact CG-CB 4.4Å; F80-V135 HydrophobicContact CG-CG1 4.21Å; F80-V135 HydrophobicContact CG-CG2 3.91Å; F80-V135 HydrophobicContact CZ-CG2 4.47Å; V135-C139 HydrophobicContact CG1-CB 3.74Å; V135-F147 HydrophobicContact CG2-CD2 3.41Å; V135-F147 VanDerWaalsContact CG2-CD2 3.41Å; V135-F147 HydrophobicContact CG2-CE2 3.72Å; V135-F147 HydrophobicContact CG2-CG 4.44Å; V135-Y154 PolarHBondContact N-O 3.18Å; V135-C155 HydrophobicContact CB-CB 4.19Å; V135-C155 CarbonylContact O-C 3.45Å; V135-C155 WeakPolarHBondContact O-CA 3.49Å; V135-C155 WeakPolarHBondContact O-CB 3.2Å; V135-S156 PolarHBondContact O-N 2.88Å; V135-S156 PolarHBondContact O-OG 3.43Å; V135-A159 HydrophobicContact CG1-CB 4.12Å; V135-F161 HydrophobicContact CB-CE1 4.31Å; V135-F161 HydrophobicContact CB-CZ 4.46Å; V135-F161 HydrophobicContact CG1-CE1 3.95Å; V135-F161 HydrophobicContact CG1-CZ 4.19Å; V135-F161 HydrophobicContact CG2-CE1 4.26Å
136H98.8Very high98.4Very high13 Ų1312 Ų126%0.066%0.062CC..  trans-136153.6166.764.2-78.3000111.3G75 G77 L79 F80 A138 S156 S218G75-H136 PolarHBondContact O-CE1 2.89Å; G75-H136 VanDerWaalsContact O-CE1 3.3Å; G77-H136 PolarHBondContact O-NE2 3.17Å; L79-H136 CarbonylContact C-O 3.32Å; L79-H136 WeakPolarHBondContact CA-O 3.31Å; L79-H136 PolarHBondContact N-NE2 3.22Å; F80-H136 PolarHBondContact N-O 3.22Å; H136-A138 PolarHBondContact O-N 3.07Å; H136-S156 WeakPolarHBondContact CA-OG 3.35Å; H136-S156 WeakPolarHBondContact CB-OG 3.45Å; H136-S218 PolarHBondContact ND1-OG 3.34Å
137G98.8Very high98.4Very high8 Ų85 Ų58%0.0823%0.032CC..SBendtrans50.4-132.6-172.600000112.4D158 A159 Y160G137-D158 PolarHBondContact N-OD2 3.44Å; G137-A159 CarbonylContact O-C 3.49Å; G137-A159 VanDerWaalsContact O-CA 3.24Å; G137-A159 WeakPolarHBondContact O-CA 3.44Å; G137-Y160 PolarHBondContact O-N 2.95Å
138A98.7Very high98.4Very high3 Ų35.3 Ų5.33%0.0253%0.034CC..EExtended strand (participates in β ladder)trans-77.9131.4-173.200000114.2L79 F80 C81 H136 I140 Y160L79-A138 HydrophobicContact CB-CB 4.06Å; L79-A138 HydrophobicContact CD1-CB 4.26Å; L79-A138 HydrophobicContact CD2-CB 3.89Å; L79-A138 HydrophobicContact CG-CB 4.3Å; F80-A138 WeakPolarHBondContact CB-O 3.37Å; F80-A138 PolarHBondContact N-O 3.3Å; C81-A138 PolarHBondContact N-O 3.46Å; H136-A138 PolarHBondContact O-N 3.07Å; A138-I140 HydrophobicContact CB-CD1 3.8Å; A138-I140 HydrophobicContact CB-CG1 3.92Å; A138-Y160 HydrophobicContact CB-CE1 3.73Å; A138-Y160 HydrophobicContact CB-CE2 4.03Å; A138-Y160 VanDerWaalsContact CB-CZ 3.42Å; A138-Y160 VanDerWaalsContact CB-OH 3.3Å; A138-Y160 WeakPolarHBondContact CB-OH 3.47Å
139C98.8Very high98.5Very high0 Ų04.4 Ų4.40%03%0.028CC..EExtended strand (participates in β ladder)trans-124.593.7165.5-1740000109.1F80 V135 G143 Y160 F161 Q162F80-C139 HydrophobicContact CD1-CB 4.04Å; V135-C139 HydrophobicContact CG1-CB 3.74Å; C139-G143 PolarHBondContact SG-O 3.29Å; C139-Y160 PolarHBondContact N-O 2.93Å; C139-F161 HydrophobicContact CB-CD1 3.67Å; C139-F161 HydrophobicContact CB-CE1 4.01Å; C139-F161 WeakPolarHBondContact O-CA 3.25Å; C139-Q162 PolarHBondContact O-N 3.42Å
140I98.4Very high98.5Very high22 Ų224.1 Ų4.111%0.1133%0.028CC..EExtended strand (participates in β ladder)trans-119.3138.9-164.6-57.5179.6000111.2C81 G83 A138 A142 G143 Y160 Q162 K164C81-I140 PolarHBondContact O-N 2.88Å; G83-I140 WeakPolarHBondContact CA-O 3.32Å; G83-I140 PolarHBondContact N-O 2.92Å; A138-I140 HydrophobicContact CB-CD1 3.8Å; A138-I140 HydrophobicContact CB-CG1 3.92Å; I140-A142 PolarHBondContact O-N 2.68Å; I140-G143 WeakPolarHBondContact O-CA 3.47Å; I140-G143 PolarHBondContact O-N 3.24Å; I140-Y160 HydrophobicContact CD1-CE2 3.93Å; I140-Y160 HydrophobicContact CG1-CE2 3.99Å; I140-Q162 CarbonylContact C-O 3.59Å; I140-Q162 WeakPolarHBondContact CA-O 3.5Å; I140-Q162 HydrophobicContact CG1-CB 4.22Å; I140-Q162 HydrophobicContact CG2-CB 4.36Å; I140-K164 HydrophobicContact CG2-CB 3.56Å; I140-K164 HydrophobicContact CG2-CG 4.06Å
141G97.4Very high98.5Very high5 Ų55.8 Ų5.85%0.0524%0.036CC..THydrogen-bonded Turntrans53.7-118.4167.900000112.7G143 F144 N145 Q162 E165G141-G143 PolarHBondContact O-N 3.11Å; G141-G143 VanDerWaalsContact O-N 3.15Å; G141-F144 CarbonylContact O-C 3.49Å; G141-F144 WeakPolarHBondContact O-CA 3.36Å; G141-F144 WeakPolarHBondContact O-CB 3.39Å; G141-F144 PolarHBondContact O-N 3.11Å; G141-N145 PolarHBondContact O-N 3.35Å; G141-N145 PolarHBondContact O-ND2 2.85Å; G141-Q162 PolarHBondContact N-O 3Å; G141-E165 VanDerWaalsContact C-OE1 3.3Å; G141-E165 WeakPolarHBondContact CA-OE1 3.22Å
142A97.7Very high98.5Very high8 Ų88 Ų87%0.0665%0.047CC..Hα-helixtrans-55.2-32.3175.700000113.3I47 W52 I84 F121 I140 F144 N145 L146I47-A142 HydrophobicContact CD1-CB 3.84Å; I47-A142 HydrophobicContact CG1-CB 4.49Å; W52-A142 HydrophobicContact CZ2-CB 4.32Å; I84-A142 HydrophobicContact CB-CB 4.47Å; F121-A142 WeakPolarHBondContact CZ-O 3.42Å; I140-A142 PolarHBondContact O-N 2.68Å; A142-F144 VanDerWaalsContact C-N 3.33Å; A142-N145 WeakPolarHBondContact O-CB 3.22Å; A142-N145 PolarHBondContact O-N 3.24Å; A142-L146 WeakPolarHBondContact O-CB 3.4Å; A142-L146 PolarHBondContact O-N 3.33Å
143G98.3Very high98.5Very high0 Ų09 Ų90%05%0.051CC..Hα-helixtrans-65.3-35.4171.700000113C81 C139 I140 G141 L146 F147C81-G143 WeakPolarHBondContact SG-CA 3.44Å; C139-G143 PolarHBondContact SG-O 3.29Å; I140-G143 WeakPolarHBondContact O-CA 3.47Å; I140-G143 PolarHBondContact O-N 3.24Å; G141-G143 PolarHBondContact O-N 3.11Å; G141-G143 VanDerWaalsContact O-N 3.15Å; G143-L146 WeakPolarHBondContact O-CB 3.29Å; G143-L146 PolarHBondContact O-N 3.28Å; G143-F147 WeakPolarHBondContact O-CB 3.36Å; G143-F147 PolarHBondContact O-N 3.04Å
144F98.1Very high98.5Very high1 Ų19.6 Ų9.60%0.0045%0.053CC..Hα-helixtrans-74.5-34.7175.3-165.4-161.5000112.2G141 A142 F147 C148 F161 I176 L180 F193 L210G141-F144 CarbonylContact O-C 3.49Å; G141-F144 WeakPolarHBondContact O-CA 3.36Å; G141-F144 WeakPolarHBondContact O-CB 3.39Å; G141-F144 PolarHBondContact O-N 3.11Å; A142-F144 VanDerWaalsContact C-N 3.33Å; F144-F147 HydrophobicContact CD2-CB 4.25Å; F144-F147 AromaticContact CD2-CD1 3.5Å; F144-F147 HydrophobicContact CD2-CD1 3.5Å; F144-F147 VanDerWaalsContact CD2-CD1 3.5Å; F144-F147 HydrophobicContact CD2-CE1 4.16Å; F144-F147 HydrophobicContact CD2-CG 4.2Å; F144-F147 AromaticContact CE2-CD1 3.41Å; F144-F147 HydrophobicContact CE2-CD1 3.41Å; F144-F147 VanDerWaalsContact CE2-CD1 3.41Å; F144-F147 AromaticContact CE2-CE1 3.62Å; F144-F147 HydrophobicContact CE2-CE1 3.62Å; F144-F147 HydrophobicContact CE2-CG 4.47Å; F144-F147 PolarHBondContact O-N 3.33Å; F144-C148 WeakPolarHBondContact O-CB 3.31Å; F144-C148 PolarHBondContact O-N 2.92Å; F144-C148 PolarHBondContact O-SG 3.16Å; F144-F161 HydrophobicContact CD1-CB 4.19Å; F144-F161 HydrophobicContact CD2-CB 4.22Å; F144-F161 AromaticContact CD2-CD1 3.88Å; F144-F161 HydrophobicContact CD2-CD1 3.88Å; F144-F161 HydrophobicContact CD2-CG 4.48Å; F144-F161 HydrophobicContact CE1-CB 3.91Å; F144-F161 HydrophobicContact CE2-CB 3.96Å; F144-F161 AromaticContact CE2-CD1 3.76Å; F144-F161 HydrophobicContact CE2-CD1 3.76Å; F144-F161 HydrophobicContact CE2-CG 4.13Å; F144-F161 HydrophobicContact CG-CB 4.38Å; F144-F161 HydrophobicContact CZ-CB 3.82Å; F144-F161 HydrophobicContact CZ-CD1 4.44Å; F144-F161 HydrophobicContact CZ-CG 4.36Å; F144-I176 HydrophobicContact CB-CD1 4.12Å; F144-I176 HydrophobicContact CD1-CD1 3.16Å; F144-I176 HydrophobicContact CD2-CD1 4.22Å; F144-I176 HydrophobicContact CE1-CD1 3.44Å; F144-I176 VanDerWaalsContact CE1-CD1 3.44Å; F144-I176 HydrophobicContact CE2-CD1 4.44Å; F144-I176 HydrophobicContact CG-CD1 3.58Å; F144-I176 HydrophobicContact CZ-CD1 4.07Å; F144-L180 HydrophobicContact CZ-CD1 4.32Å; F144-F193 HydrophobicContact CD1-CE1 4.18Å; F144-F193 AromaticContact CD1-CZ 3.91Å; F144-F193 HydrophobicContact CD1-CZ 3.91Å; F144-F193 AromaticContact CE1-CE1 3.48Å; F144-F193 HydrophobicContact CE1-CE1 3.48Å; F144-F193 VanDerWaalsContact CE1-CE1 3.48Å; F144-F193 AromaticContact CE1-CZ 3.41Å; F144-F193 HydrophobicContact CE1-CZ 3.41Å; F144-F193 VanDerWaalsContact CE1-CZ 3.41Å; F144-F193 HydrophobicContact CZ-CE1 4.48Å; F144-F193 HydrophobicContact CZ-CZ 4.47Å; F144-L210 HydrophobicContact CE2-CD1 4.18Å; F144-L210 HydrophobicContact CE2-CD2 3.86Å; F144-L210 HydrophobicContact CE2-CG 4.49Å; F144-L210 HydrophobicContact CZ-CD1 4.22Å; F144-L210 HydrophobicContact CZ-CD2 3.63Å
145N98.3Very high98.5Very high0 Ų09.5 Ų9.50%05%0.053CC..Hα-helixtrans-60.9-44.4170.1-73.1-100000111.5F121 G141 A142 C148 S149 E165 V174 G175 I176F121-N145 HydrophobicContact CD2-CB 3.87Å; F121-N145 HydrophobicContact CE2-CB 3.64Å; G141-N145 PolarHBondContact O-N 3.35Å; G141-N145 PolarHBondContact O-ND2 2.85Å; A142-N145 WeakPolarHBondContact O-CB 3.22Å; A142-N145 PolarHBondContact O-N 3.24Å; N145-C148 PolarHBondContact O-N 3.11Å; N145-S149 PolarHBondContact O-N 3.41Å; N145-E165 PolarHBondContact ND2-OE1 2.82Å; N145-V174 HydrophobicContact CB-CG2 3.74Å; N145-V174 VanDerWaalsContact CG-CG2 3.42Å; N145-V174 WeakPolarHBondContact OD1-CG2 3.33Å; N145-G175 PolarHBondContact OD1-N 2.92Å; N145-I176 HydrophobicContact CB-CB 4.47Å; N145-I176 VanDerWaalsContact OD1-CB 3.25Å; N145-I176 WeakPolarHBondContact OD1-CB 3.43Å; N145-I176 VanDerWaalsContact OD1-CG2 3.24Å; N145-I176 WeakPolarHBondContact OD1-CG2 3.47Å; N145-I176 PolarHBondContact OD1-N 3.28Å
146L98.6Very high98.5Very high0 Ų09.5 Ų9.50%05%0.053CC..Hα-helixtrans-57.6-51.2173.3171.661.2000110.9L38 I55 L73 F80 F121 I124 A142 G143 C148 S149L38-L146 HydrophobicContact CD1-CD2 3.96Å; L38-L146 HydrophobicContact CD2-CD2 4.03Å; L38-L146 HydrophobicContact CG-CD2 4.5Å; I55-L146 HydrophobicContact CD1-CD2 4.26Å; I55-L146 HydrophobicContact CG2-CD1 4.31Å; L73-L146 HydrophobicContact CD2-CD1 3.84Å; L73-L146 HydrophobicContact CD2-CD2 4.17Å; L73-L146 HydrophobicContact CD2-CG 3.92Å; F80-L146 HydrophobicContact CE1-CD2 4.44Å; F80-L146 HydrophobicContact CZ-CD2 4.13Å; F80-L146 HydrophobicContact CZ-CG 4.47Å; F121-L146 HydrophobicContact CD1-CB 4.23Å; F121-L146 HydrophobicContact CD1-CD1 3.87Å; F121-L146 HydrophobicContact CE1-CB 3.8Å; F121-L146 HydrophobicContact CE1-CD1 3.91Å; F121-L146 HydrophobicContact CE1-CG 4.35Å; F121-L146 HydrophobicContact CE2-CB 4.38Å; F121-L146 HydrophobicContact CZ-CB 3.88Å; I124-L146 HydrophobicContact CD1-CD1 3.21Å; A142-L146 WeakPolarHBondContact O-CB 3.4Å; A142-L146 PolarHBondContact O-N 3.33Å; G143-L146 WeakPolarHBondContact O-CB 3.29Å; G143-L146 PolarHBondContact O-N 3.28Å; L146-C148 VanDerWaalsContact C-N 3.32Å; L146-C148 PolarHBondContact O-N 2.61Å; L146-S149 WeakPolarHBondContact O-CB 3.27Å; L146-S149 PolarHBondContact O-N 3.35Å; L146-S149 PolarHBondContact O-OG 2.78Å
147F98.4Very high98.5Very high0 Ų012.1 Ų12.10%07%0.073CC..Hα-helixtrans-55.8-44.6176.6166.4-91.3000112.7F80 C133 V135 G143 F144 S149 T150 R153 F161 L210 V211F80-F147 HydrophobicContact CE1-CB 4.45Å; C133-F147 HydrophobicContact CB-CD2 4.42Å; V135-F147 HydrophobicContact CG2-CD2 3.41Å; V135-F147 VanDerWaalsContact CG2-CD2 3.41Å; V135-F147 HydrophobicContact CG2-CE2 3.72Å; V135-F147 HydrophobicContact CG2-CG 4.44Å; G143-F147 WeakPolarHBondContact O-CB 3.36Å; G143-F147 PolarHBondContact O-N 3.04Å; F144-F147 HydrophobicContact CD2-CB 4.25Å; F144-F147 AromaticContact CD2-CD1 3.5Å; F144-F147 HydrophobicContact CD2-CD1 3.5Å; F144-F147 VanDerWaalsContact CD2-CD1 3.5Å; F144-F147 HydrophobicContact CD2-CE1 4.16Å; F144-F147 HydrophobicContact CD2-CG 4.2Å; F144-F147 AromaticContact CE2-CD1 3.41Å; F144-F147 HydrophobicContact CE2-CD1 3.41Å; F144-F147 VanDerWaalsContact CE2-CD1 3.41Å; F144-F147 AromaticContact CE2-CE1 3.62Å; F144-F147 HydrophobicContact CE2-CE1 3.62Å; F144-F147 HydrophobicContact CE2-CG 4.47Å; F144-F147 PolarHBondContact O-N 3.33Å; F147-S149 PolarHBondContact O-N 2.82Å; F147-S149 VanDerWaalsContact O-N 3.16Å; F147-T150 PolarHBondContact O-N 2.78Å; F147-T150 VanDerWaalsContact O-N 3.14Å; F147-T150 PolarHBondContact O-OG1 3.17Å; F147-R153 HydrophobicContact CD2-CB 4.44Å; F147-R153 HydrophobicContact CD2-CG 3.98Å; F147-R153 VanDerWaalsContact CE1-CD 3.45Å; F147-R153 HydrophobicContact CE1-CG 4.34Å; F147-R153 HydrophobicContact CE2-CB 3.51Å; F147-R153 HydrophobicContact CE2-CG 3.49Å; F147-R153 VanDerWaalsContact CE2-CG 3.49Å; F147-R153 HydrophobicContact CZ-CB 3.65Å; F147-R153 HydrophobicContact CZ-CG 3.72Å; F147-F161 HydrophobicContact CD1-CD1 4.33Å; F147-F161 HydrophobicContact CD1-CE1 4.24Å; F147-F161 HydrophobicContact CD2-CE1 4.03Å; F147-F161 HydrophobicContact CE1-CD1 4.1Å; F147-F161 AromaticContact CE1-CE1 3.82Å; F147-F161 HydrophobicContact CE1-CE1 3.82Å; F147-F161 AromaticContact CE2-CE1 3.57Å; F147-F161 HydrophobicContact CE2-CE1 3.57Å; F147-F161 HydrophobicContact CE2-CZ 4.13Å; F147-F161 HydrophobicContact CG-CE1 4.3Å; F147-F161 HydrophobicContact CZ-CD1 4.17Å; F147-F161 AromaticContact CZ-CE1 3.44Å; F147-F161 HydrophobicContact CZ-CE1 3.44Å; F147-F161 VanDerWaalsContact CZ-CE1 3.44Å; F147-F161 AromaticContact CZ-CZ 3.91Å; F147-F161 HydrophobicContact CZ-CZ 3.91Å; F147-L210 HydrophobicContact CE1-CD1 3.76Å; F147-L210 HydrophobicContact CE1-CD2 4.22Å; F147-L210 HydrophobicContact CE1-CG 3.77Å; F147-L210 HydrophobicContact CZ-CG 4.16Å; F147-V211 HydrophobicContact CE2-CG1 4.27Å; F147-V211 HydrophobicContact CZ-CG1 3.79Å
148C98Very high98.5Very high5 Ų515.7 Ų15.73%0.0349%0.089CC..Hα-helixtrans-66.5-12.2178.5-75.60000114.1F144 N145 L146 T150 R179 M183F144-C148 WeakPolarHBondContact O-CB 3.31Å; F144-C148 PolarHBondContact O-N 2.92Å; F144-C148 PolarHBondContact O-SG 3.16Å; N145-C148 PolarHBondContact O-N 3.11Å; L146-C148 VanDerWaalsContact C-N 3.32Å; L146-C148 PolarHBondContact O-N 2.61Å; C148-T150 VanDerWaalsContact C-N 3.35Å; C148-R179 HydrophobicContact CB-CB 4.28Å; C148-R179 WeakPolarHBondContact O-CD 3.49Å; C148-M183 HydrophobicContact CB-CE 4.42Å; C148-M183 HydrophobicContact CB-SD 3.97Å
149S98.3Very high98.5Very high4 Ų415.5 Ų15.53%0.0289%0.088CC..THydrogen-bonded Turntrans-86.9-2.2174.772.80000114.3I124 N145 L146 F147I124-S149 VanDerWaalsContact CD1-OG 3.24Å; I124-S149 WeakPolarHBondContact CD1-OG 3.07Å; I124-S149 VanDerWaalsContact CG2-O 3.3Å; I124-S149 WeakPolarHBondContact CG2-O 3.32Å; N145-S149 PolarHBondContact O-N 3.41Å; L146-S149 WeakPolarHBondContact O-CB 3.27Å; L146-S149 PolarHBondContact O-N 3.35Å; L146-S149 PolarHBondContact O-OG 2.78Å; F147-S149 PolarHBondContact O-N 2.82Å; F147-S149 VanDerWaalsContact O-N 3.16Å
150T98.7Very high98.5Very high5 Ų518 Ų183%0.03110%0.098CC..SBendtrans-98.9155.4-177.369.60000112.2L73 I124 V131 C133 F147 C148 R153L73-T150 HydrophobicContact CD2-CG2 3.91Å; I124-T150 HydrophobicContact CG2-CG2 4.29Å; V131-T150 HydrophobicContact CG1-CG2 3.98Å; C133-T150 HydrophobicContact CB-CG2 3.84Å; C133-T150 WeakPolarHBondContact CB-OG1 3.24Å; F147-T150 PolarHBondContact O-N 2.78Å; F147-T150 VanDerWaalsContact O-N 3.14Å; F147-T150 PolarHBondContact O-OG1 3.17Å; C148-T150 VanDerWaalsContact C-N 3.35Å; T150-R153 PolarHBondContact O-NH1 3.42Å; T150-R153 VanDerWaalsContact OG1-CG 3.31Å; T150-R153 WeakPolarHBondContact OG1-CG 3.32Å
151D98.7Very high98.5Very high46 Ų4616.9 Ų16.925%0.2469%0.092CC..SBendtrans-80.1-49.3-170.8-54.4-65.2000112.8P130 V131 R153 K244P130-D151 WeakPolarHBondContact CA-OD2 3.39Å; V131-D151 PolarHBondContact N-OD2 3.33Å; V131-D151 WeakPolarHBondContact O-CB 3.47Å; V131-D151 PolarHBondContact O-N 3.43Å; D151-R153 PolarHBondContact O-NH1 2.91Å; D151-K244 WeakPolarHBondContact OD1-CE 3.45Å; D151-K244 IonicContact OD1-NZ 3.46Å; D151-K244 PolarHBondContact OD1-NZ 3.34Å; D151-K244 WeakPolarHBondContact OD2-CE 3.31Å; D151-K244 IonicContact OD2-NZ 2.93Å; D151-K244 PolarHBondContact OD2-NZ 3Å
152I98.8Very high98.5Very high47 Ų4717.3 Ų17.324%0.2419%0.093CC..EExtended strand (participates in β ladder)trans-127.1138.1-176.5-55.8172.5000109.4V131 L132 C133 Y154 L228 I232V131-I152 PolarHBondContact O-N 2.98Å; L132-I152 CarbonylContact C-O 3.56Å; L132-I152 VanDerWaalsContact CA-O 3.29Å; L132-I152 WeakPolarHBondContact CA-O 3.46Å; L132-I152 HydrophobicContact CD2-CD1 4.45Å; L132-I152 HydrophobicContact CG-CB 4.07Å; L132-I152 HydrophobicContact CG-CD1 4.31Å; C133-I152 PolarHBondContact N-O 2.97Å; I152-Y154 HydrophobicContact CG2-CE1 4.23Å; I152-L228 HydrophobicContact CD1-CD2 4.13Å; I152-L228 HydrophobicContact CG2-CD2 3.95Å; I152-I232 HydrophobicContact CD1-CD1 4.14Å
153R98.8Very high98.5Very high22 Ų2217.2 Ų17.28%0.0839%0.091CC..EExtended strand (participates in β ladder)trans-134.9118.4-166.9-68.4165.1-45.6-81.6-8.5110.9C133 F147 T150 D151 M183 L210 V211 S212C133-R153 HydrophobicContact CB-CG 4.29Å; C133-R153 WeakPolarHBondContact O-CA 3.48Å; F147-R153 HydrophobicContact CD2-CB 4.44Å; F147-R153 HydrophobicContact CD2-CG 3.98Å; F147-R153 VanDerWaalsContact CE1-CD 3.45Å; F147-R153 HydrophobicContact CE1-CG 4.34Å; F147-R153 HydrophobicContact CE2-CB 3.51Å; F147-R153 HydrophobicContact CE2-CG 3.49Å; F147-R153 VanDerWaalsContact CE2-CG 3.49Å; F147-R153 HydrophobicContact CZ-CB 3.65Å; F147-R153 HydrophobicContact CZ-CG 3.72Å; T150-R153 PolarHBondContact O-NH1 3.42Å; T150-R153 VanDerWaalsContact OG1-CG 3.31Å; T150-R153 WeakPolarHBondContact OG1-CG 3.32Å; D151-R153 PolarHBondContact O-NH1 2.91Å; R153-M183 VanDerWaalsContact NE-CE 3.25Å; R153-L210 PolarHBondContact NE-O 2.95Å; R153-L210 PolarHBondContact NH2-O 2.82Å; R153-L210 VanDerWaalsContact NH2-O 3.14Å; R153-V211 HydrophobicContact CB-CG1 4.37Å; R153-V211 CarbonylContact O-C 3.58Å; R153-V211 WeakPolarHBondContact O-CA 3.35Å; R153-S212 PolarHBondContact O-N 2.66Å
154Y98.9Very high98.4Very high11 Ų1120.7 Ų20.74%0.04311%0.106CC..EExtended strand (participates in β ladder)trans-110.8157.9167.9-67.8-4.7000109.5C133 S134 V135 I152 R213 L215 A224 I225C133-Y154 PolarHBondContact O-N 3.17Å; S134-Y154 WeakPolarHBondContact CA-O 3.39Å; V135-Y154 PolarHBondContact N-O 3.18Å; I152-Y154 HydrophobicContact CG2-CE1 4.23Å; Y154-R213 WeakPolarHBondContact CA-O 3.32Å; Y154-R213 HydrophobicContact CD1-CB 3.65Å; Y154-R213 HydrophobicContact CD1-CG 3.95Å; Y154-R213 HydrophobicContact CD2-CB 4.35Å; Y154-R213 HydrophobicContact CE1-CB 3.78Å; Y154-R213 HydrophobicContact CE1-CG 3.52Å; Y154-R213 HydrophobicContact CE2-CB 4.45Å; Y154-R213 HydrophobicContact CE2-CG 4.39Å; Y154-R213 HydrophobicContact CG-CB 3.97Å; Y154-R213 VanDerWaalsContact CZ-CD 3.43Å; Y154-R213 WeakPolarHBondContact OH-CD 3.2Å; Y154-R213 PolarHBondContact OH-NE 2.87Å; Y154-R213 VanDerWaalsContact OH-NE 3.13Å; Y154-L215 HydrophobicContact CD2-CD2 4.15Å; Y154-L215 HydrophobicContact CG-CD2 4.31Å; Y154-A224 HydrophobicContact CD2-CB 4.07Å; Y154-A224 HydrophobicContact CE2-CB 4.04Å; Y154-I225 HydrophobicContact CD1-CD1 4.4Å; Y154-I225 HydrophobicContact CD2-CB 3.84Å; Y154-I225 HydrophobicContact CD2-CD1 4Å; Y154-I225 HydrophobicContact CD2-CG1 4.15Å; Y154-I225 HydrophobicContact CE2-CB 4.38Å; Y154-I225 HydrophobicContact CG-CB 4.48Å; Y154-I225 HydrophobicContact CG-CD1 3.82Å; Y154-I225 HydrophobicContact CG-CG1 4.46Å
155C98.9Very high98.3Very high0 Ų021.2 Ų21.20%011%0.109CC..EExtended strand (participates in β ladder)trans-141.8162.117272.70000112.8V135 A159 F161 V211 R213 I214 L215V135-C155 HydrophobicContact CB-CB 4.19Å; V135-C155 CarbonylContact O-C 3.45Å; V135-C155 WeakPolarHBondContact O-CA 3.49Å; V135-C155 WeakPolarHBondContact O-CB 3.2Å; C155-A159 HydrophobicContact CB-CB 3.62Å; C155-F161 HydrophobicContact CB-CZ 4.21Å; C155-V211 HydrophobicContact CB-CG1 4.2Å; C155-R213 PolarHBondContact N-O 2.82Å; C155-I214 CarbonylContact O-C 3.48Å; C155-I214 VanDerWaalsContact O-CA 3.31Å; C155-I214 WeakPolarHBondContact O-CA 3.1Å; C155-L215 PolarHBondContact O-N 3.36Å
156S98.8Very high98.1Very high0 Ų024 Ų240%013%0.125CC..EExtended strand (participates in β ladder)trans-79.4164.3164.553.40000111.7V135 H136 D158 A159 L215 S217V135-S156 PolarHBondContact O-N 2.88Å; V135-S156 PolarHBondContact O-OG 3.43Å; H136-S156 WeakPolarHBondContact CA-OG 3.35Å; H136-S156 WeakPolarHBondContact CB-OG 3.45Å; S156-D158 WeakPolarHBondContact CB-OD1 3.3Å; S156-D158 PolarHBondContact O-N 3.49Å; S156-D158 PolarHBondContact OG-OD1 2.9Å; S156-A159 WeakPolarHBondContact O-CB 3.37Å; S156-A159 PolarHBondContact O-N 3.27Å; S156-A159 VanDerWaalsContact O-N 3.08Å; S156-L215 CarbonylContact C-O 3.46Å; S156-L215 WeakPolarHBondContact CA-O 3.36Å; S156-S217 VanDerWaalsContact CB-C 3.46Å
157S98.7Very high97.9Very high68 Ų6828.5 Ų28.548%0.47615%0.147SC..THydrogen-bonded Turntrans-63.6-27.2-177.564.50000114A159 L215 P216S157-A159 VanDerWaalsContact C-N 3.29Å; S157-L215 PolarHBondContact N-O 2.95Å; S157-P216 PolarHBondContact OG-O 3.19Å
158D98.6Very high97.6Very high82 Ų8232.4 Ų32.444%0.43917%0.167SC..THydrogen-bonded Turntrans-83.6-0.9176.371.8-36.3000113.5G137 S156G137-D158 PolarHBondContact N-OD2 3.44Å; S156-D158 WeakPolarHBondContact CB-OD1 3.3Å; S156-D158 PolarHBondContact O-N 3.49Å; S156-D158 PolarHBondContact OG-OD1 2.9Å
159A98.9Very high97.3Very high0 Ų035.5 Ų35.50%020%0.2CC..  trans-70.4143.1-177.300000112.3V135 G137 C155 S156 S157 A202V135-A159 HydrophobicContact CG1-CB 4.12Å; G137-A159 CarbonylContact O-C 3.49Å; G137-A159 VanDerWaalsContact O-CA 3.24Å; G137-A159 WeakPolarHBondContact O-CA 3.44Å; C155-A159 HydrophobicContact CB-CB 3.62Å; S156-A159 WeakPolarHBondContact O-CB 3.37Å; S156-A159 PolarHBondContact O-N 3.27Å; S156-A159 VanDerWaalsContact O-N 3.08Å; S157-A159 VanDerWaalsContact C-N 3.29Å; A159-A202 PolarHBondContact O-N 3.46Å
160Y98.7Very high97Very high51 Ų5138.1 Ų38.120%0.221%0.211CC..EExtended strand (participates in β ladder)trans-142.6151.6168.471.6-91.3000111.7G137 A138 C139 I140 Q199 L200 M201G137-Y160 PolarHBondContact O-N 2.95Å; A138-Y160 HydrophobicContact CB-CE1 3.73Å; A138-Y160 HydrophobicContact CB-CE2 4.03Å; A138-Y160 VanDerWaalsContact CB-CZ 3.42Å; A138-Y160 VanDerWaalsContact CB-OH 3.3Å; A138-Y160 WeakPolarHBondContact CB-OH 3.47Å; C139-Y160 PolarHBondContact N-O 2.93Å; I140-Y160 HydrophobicContact CD1-CE2 3.93Å; I140-Y160 HydrophobicContact CG1-CE2 3.99Å; Y160-Q199 HydrophobicContact CD2-CB 4.03Å; Y160-Q199 HydrophobicContact CD2-CG 3.62Å; Y160-Q199 HydrophobicContact CE2-CG 3.86Å; Y160-Q199 HydrophobicContact CG-CG 4.43Å; Y160-L200 CarbonylContact C-O 3.48Å; Y160-L200 VanDerWaalsContact CA-O 3.32Å; Y160-L200 WeakPolarHBondContact CA-O 3.42Å; Y160-M201 VanDerWaalsContact CB-SD 3.54Å; Y160-M201 HydrophobicContact CG-SD 4.38Å
161F98.6Very high96.9Very high0 Ų041.4 Ų41.40%024%0.238CC..EExtended strand (participates in β ladder)trans-116.4139.3-177-51.7-89.7000109.3V135 C139 F144 F147 C155 F193 L200 A205 L210 V211V135-F161 HydrophobicContact CB-CE1 4.31Å; V135-F161 HydrophobicContact CB-CZ 4.46Å; V135-F161 HydrophobicContact CG1-CE1 3.95Å; V135-F161 HydrophobicContact CG1-CZ 4.19Å; V135-F161 HydrophobicContact CG2-CE1 4.26Å; C139-F161 HydrophobicContact CB-CD1 3.67Å; C139-F161 HydrophobicContact CB-CE1 4.01Å; C139-F161 WeakPolarHBondContact O-CA 3.25Å; F144-F161 HydrophobicContact CD1-CB 4.19Å; F144-F161 HydrophobicContact CD2-CB 4.22Å; F144-F161 AromaticContact CD2-CD1 3.88Å; F144-F161 HydrophobicContact CD2-CD1 3.88Å; F144-F161 HydrophobicContact CD2-CG 4.48Å; F144-F161 HydrophobicContact CE1-CB 3.91Å; F144-F161 HydrophobicContact CE2-CB 3.96Å; F144-F161 AromaticContact CE2-CD1 3.76Å; F144-F161 HydrophobicContact CE2-CD1 3.76Å; F144-F161 HydrophobicContact CE2-CG 4.13Å; F144-F161 HydrophobicContact CG-CB 4.38Å; F144-F161 HydrophobicContact CZ-CB 3.82Å; F144-F161 HydrophobicContact CZ-CD1 4.44Å; F144-F161 HydrophobicContact CZ-CG 4.36Å; F147-F161 HydrophobicContact CD1-CD1 4.33Å; F147-F161 HydrophobicContact CD1-CE1 4.24Å; F147-F161 HydrophobicContact CD2-CE1 4.03Å; F147-F161 HydrophobicContact CE1-CD1 4.1Å; F147-F161 AromaticContact CE1-CE1 3.82Å; F147-F161 HydrophobicContact CE1-CE1 3.82Å; F147-F161 AromaticContact CE2-CE1 3.57Å; F147-F161 HydrophobicContact CE2-CE1 3.57Å; F147-F161 HydrophobicContact CE2-CZ 4.13Å; F147-F161 HydrophobicContact CG-CE1 4.3Å; F147-F161 HydrophobicContact CZ-CD1 4.17Å; F147-F161 AromaticContact CZ-CE1 3.44Å; F147-F161 HydrophobicContact CZ-CE1 3.44Å; F147-F161 VanDerWaalsContact CZ-CE1 3.44Å; F147-F161 AromaticContact CZ-CZ 3.91Å; F147-F161 HydrophobicContact CZ-CZ 3.91Å; C155-F161 HydrophobicContact CB-CZ 4.21Å; F161-F193 WeakPolarHBondContact O-CE2 3.48Å; F161-L200 HydrophobicContact CB-CB 4.33Å; F161-L200 WeakPolarHBondContact CD2-O 3.27Å; F161-L200 PolarHBondContact N-O 3.36Å; F161-L200 PolarHBondContact O-N 2.86Å; F161-A205 HydrophobicContact CD2-CB 3.75Å; F161-A205 HydrophobicContact CE2-CB 3.58Å; F161-L210 HydrophobicContact CB-CD2 4.42Å; F161-L210 HydrophobicContact CD1-CD2 4.41Å; F161-L210 HydrophobicContact CD2-CD2 4.09Å; F161-L210 HydrophobicContact CG-CD2 4.03Å; F161-V211 HydrophobicContact CE2-CG1 4.15Å; F161-V211 HydrophobicContact CZ-CG1 3.69Å
162Q98Very high96.8Very high14 Ų1439.4 Ų39.47%0.06523%0.228CC..EExtended strand (participates in β ladder)trans-146.9124.1-178-170.1174.422.600111.9C139 I140 G141 K164 G197 Q199C139-Q162 PolarHBondContact O-N 3.42Å; I140-Q162 CarbonylContact C-O 3.59Å; I140-Q162 WeakPolarHBondContact CA-O 3.5Å; I140-Q162 HydrophobicContact CG1-CB 4.22Å; I140-Q162 HydrophobicContact CG2-CB 4.36Å; G141-Q162 PolarHBondContact N-O 3Å; Q162-K164 HydrophobicContact CG-CD 4.5Å; Q162-K164 PolarHBondContact O-N 3.02Å; Q162-G197 VanDerWaalsContact CG-O 3.32Å; Q162-G197 WeakPolarHBondContact CG-O 3.32Å; Q162-G197 PolarHBondContact NE2-O 2.84Å; Q162-Q199 HydrophobicContact CB-CG 4.49Å; Q162-Q199 HydrophobicContact CG-CG 4.47Å
163M96.7Very high96.7Very high6 Ų639.5 Ų39.53%0.0323%0.229CC..  trans-85.490.5168-171.2-176-57.500107.7E165 A172 I176 L177 L180 F193 A194 G197M163-E165 WeakPolarHBondContact CA-OE2 3.12Å; M163-E165 WeakPolarHBondContact CG-OE2 3.17Å; M163-A172 HydrophobicContact CG-CB 4.35Å; M163-A172 HydrophobicContact SD-CB 4.39Å; M163-I176 HydrophobicContact CE-CD1 3.8Å; M163-I176 HydrophobicContact CE-CG1 3.96Å; M163-I176 HydrophobicContact CE-CG2 3.98Å; M163-I176 HydrophobicContact SD-CG2 4.45Å; M163-L177 HydrophobicContact CE-CD2 3.67Å; M163-L177 HydrophobicContact SD-CD2 3.69Å; M163-L180 HydrophobicContact CE-CD2 4.25Å; M163-F193 HydrophobicContact CB-CD1 4.41Å; M163-F193 HydrophobicContact CB-CE1 3.57Å; M163-F193 HydrophobicContact CB-CZ 3.83Å; M163-F193 HydrophobicContact CE-CD1 4.43Å; M163-F193 HydrophobicContact CE-CE1 4.08Å; M163-A194 HydrophobicContact CE-CB 3.8Å; M163-A194 HydrophobicContact SD-CB 3.67Å; M163-G197 VanDerWaalsContact O-CA 3.27Å; M163-G197 WeakPolarHBondContact O-CA 3.41Å
164K96.5Very high96.6Very high73 Ų7338.7 Ų38.732%0.31723%0.227SC..  trans-82-17.8-170.7-169.166.1177.6-174.80112.7I140 Q162 V166 Q167 L168I140-K164 HydrophobicContact CG2-CB 3.56Å; I140-K164 HydrophobicContact CG2-CG 4.06Å; Q162-K164 HydrophobicContact CG-CD 4.5Å; Q162-K164 PolarHBondContact O-N 3.02Å; K164-V166 VanDerWaalsContact C-N 3.26Å; K164-V166 PolarHBondContact O-N 2.67Å; K164-Q167 HydrophobicContact CD-CB 4.37Å; K164-Q167 VanDerWaalsContact CD-OE1 3.31Å; K164-Q167 VanDerWaalsContact CE-OE1 3.25Å; K164-Q167 WeakPolarHBondContact O-CB 3.42Å; K164-Q167 PolarHBondContact O-N 3.49Å; K164-L168 PolarHBondContact O-N 2.93Å
165E96.1Very high96.6Very high11 Ų1138.5 Ų38.55%0.05123%0.228CC..G310 helixtrans-54.1-40.5-174-65.589.3157.300112.2G141 N145 M163 Q167 L168 G169 F170 A172G141-E165 VanDerWaalsContact C-OE1 3.3Å; G141-E165 WeakPolarHBondContact CA-OE1 3.22Å; N145-E165 PolarHBondContact ND2-OE1 2.82Å; M163-E165 WeakPolarHBondContact CA-OE2 3.12Å; M163-E165 WeakPolarHBondContact CG-OE2 3.17Å; E165-Q167 VanDerWaalsContact C-N 3.26Å; E165-Q167 PolarHBondContact O-N 3.35Å; E165-L168 CarbonylContact O-C 3.49Å; E165-L168 WeakPolarHBondContact O-CA 3.04Å; E165-L168 WeakPolarHBondContact O-CB 3.15Å; E165-L168 PolarHBondContact O-N 3.32Å; E165-G169 PolarHBondContact O-N 3.24Å; E165-G169 VanDerWaalsContact O-N 3.15Å; E165-F170 CarbonylContact C-O 3.59Å; E165-F170 HydrophobicContact CB-CD2 4.11Å; E165-F170 HydrophobicContact CB-CE2 3.84Å; E165-F170 HydrophobicContact CB-CZ 4.26Å; E165-F170 WeakPolarHBondContact CB-O 3.22Å; E165-F170 HydrophobicContact CG-CD2 4.37Å; E165-F170 HydrophobicContact CG-CE2 3.66Å; E165-F170 HydrophobicContact CG-CZ 4.09Å; E165-F170 PolarHBondContact O-N 2.83Å; E165-A172 HydrophobicContact CB-CB 3.95Å; E165-A172 HydrophobicContact CG-CB 3.71Å
166V95.2Very high96.5Very high58 Ų5838.5 Ų38.535%0.35223%0.228SC..G310 helixtrans-60.3-36.417868.90000112.5K164 L168 G169 F170 A194K164-V166 VanDerWaalsContact C-N 3.26Å; K164-V166 PolarHBondContact O-N 2.67Å; V166-L168 VanDerWaalsContact C-N 3.26Å; V166-L168 PolarHBondContact O-N 2.87Å; V166-G169 PolarHBondContact O-N 3Å; V166-F170 PolarHBondContact N-O 2.95Å; V166-A194 WeakPolarHBondContact CG1-O 3.33Å
167Q94.7Very high96.4Very high96 Ų9641.8 Ų41.845%0.44925%0.246SC..G310 helixtrans-77.5-15.4177.5-61-178.4-11.300112.3K164 E165 T196 G197K164-Q167 HydrophobicContact CD-CB 4.37Å; K164-Q167 VanDerWaalsContact CD-OE1 3.31Å; K164-Q167 VanDerWaalsContact CE-OE1 3.25Å; K164-Q167 WeakPolarHBondContact O-CB 3.42Å; K164-Q167 PolarHBondContact O-N 3.49Å; E165-Q167 VanDerWaalsContact C-N 3.26Å; E165-Q167 PolarHBondContact O-N 3.35Å; Q167-T196 PolarHBondContact NE2-O 3.48Å; Q167-G197 PolarHBondContact NE2-O 2.48Å
168L91.9Very high96.3Very high82 Ų8243.4 Ų43.443%0.42925%0.246SC..G310 helixtrans-91.60.7171-59.2176.4000112.5K164 E165 V166 F170K164-L168 PolarHBondContact O-N 2.93Å; E165-L168 CarbonylContact O-C 3.49Å; E165-L168 WeakPolarHBondContact O-CA 3.04Å; E165-L168 WeakPolarHBondContact O-CB 3.15Å; E165-L168 PolarHBondContact O-N 3.32Å; V166-L168 VanDerWaalsContact C-N 3.26Å; V166-L168 PolarHBondContact O-N 2.87Å; L168-F170 HydrophobicContact CB-CD1 3.92Å; L168-F170 HydrophobicContact CB-CE1 3.41Å; L168-F170 VanDerWaalsContact CB-CE1 3.41Å; L168-F170 HydrophobicContact CB-CZ 4.27Å; L168-F170 HydrophobicContact CD1-CE1 4.02Å; L168-F170 HydrophobicContact CD1-CZ 4.16Å; L168-F170 HydrophobicContact CG-CE1 4.37Å
169G91.8Very high96.3Very high70 Ų7040.4 Ų40.472%0.72223%0.228SC*.THydrogen-bonded Turntrans88.416.6173.600000115.3E165 V166E165-G169 PolarHBondContact O-N 3.24Å; E165-G169 VanDerWaalsContact O-N 3.15Å; V166-G169 PolarHBondContact O-N 3Å
170F91.5Very high96.1Very high58 Ų5840.5 Ų40.525%0.25423%0.229SC..SBendtrans-141.7156.4176.461.4-85.2000112.8F89 E165 V166 L168F89-F170 AromaticContact CE2-CE1 3.77Å; F89-F170 HydrophobicContact CE2-CE1 3.77Å; F89-F170 HydrophobicContact CE2-CZ 4.4Å; E165-F170 CarbonylContact C-O 3.59Å; E165-F170 HydrophobicContact CB-CD2 4.11Å; E165-F170 HydrophobicContact CB-CE2 3.84Å; E165-F170 HydrophobicContact CB-CZ 4.26Å; E165-F170 WeakPolarHBondContact CB-O 3.22Å; E165-F170 HydrophobicContact CG-CD2 4.37Å; E165-F170 HydrophobicContact CG-CE2 3.66Å; E165-F170 HydrophobicContact CG-CZ 4.09Å; E165-F170 PolarHBondContact O-N 2.83Å; V166-F170 PolarHBondContact N-O 2.95Å; L168-F170 HydrophobicContact CB-CD1 3.92Å; L168-F170 HydrophobicContact CB-CE1 3.41Å; L168-F170 VanDerWaalsContact CB-CE1 3.41Å; L168-F170 HydrophobicContact CB-CZ 4.27Å; L168-F170 HydrophobicContact CD1-CE1 4.02Å; L168-F170 HydrophobicContact CD1-CZ 4.16Å; L168-F170 HydrophobicContact CG-CE1 4.37Å
171A96.3Very high95.9Very high74 Ų7439.9 Ų39.961%0.61223%0.231SC*.  trans-76138.3173.100000110D173 L177A171-D173 PolarHBondContact O-N 3.49Å; A171-L177 HydrophobicContact CB-CD1 4.31Å
172A96.4Very high95.8Very high4 Ų445 Ų453%0.03325%0.253CS..  trans-62.4125.1177.400000111.2M163 E165 I176 L177M163-A172 HydrophobicContact CG-CB 4.35Å; M163-A172 HydrophobicContact SD-CB 4.39Å; E165-A172 HydrophobicContact CB-CB 3.95Å; E165-A172 HydrophobicContact CG-CB 3.71Å; A172-I176 HydrophobicContact CB-CG2 3.36Å; A172-L177 HydrophobicContact CB-CG 4.21Å; A172-L177 WeakPolarHBondContact O-CD1 3.33Å; A172-L177 WeakPolarHBondContact O-CG 3.47Å
173D96.5Very high95.6Very high49 Ų4946.6 Ų46.626%0.26226%0.261SS..  trans-120.5-2.4-165.256.8-1000113.8I114 Q118 A171I114-D173 HydrophobicContact CG2-CB 4.37Å; Q118-D173 WeakPolarHBondContact CG-O 3.37Å; Q118-D173 PolarHBondContact NE2-O 3.43Å; A171-D173 PolarHBondContact O-N 3.49Å
174V97.6Very high95.4Very high6 Ų646.7 Ų46.74%0.03626%0.262CS..SBendtrans-104.215.7-178.4-60.80000114.7W52 L117 F121 N145W52-V174 HydrophobicContact CH2-CB 3.84Å; W52-V174 HydrophobicContact CH2-CG1 3.84Å; W52-V174 HydrophobicContact CH2-CG2 3.89Å; W52-V174 HydrophobicContact CZ2-CG1 4.25Å; W52-V174 HydrophobicContact CZ2-CG2 4.27Å; L117-V174 HydrophobicContact CB-CG1 3.82Å; L117-V174 HydrophobicContact CD1-CG1 4.47Å; F121-V174 HydrophobicContact CD2-CB 4.4Å; F121-V174 HydrophobicContact CD2-CG2 4.24Å; F121-V174 HydrophobicContact CE2-CB 4.47Å; F121-V174 HydrophobicContact CE2-CG2 3.93Å; N145-V174 HydrophobicContact CB-CG2 3.74Å; N145-V174 VanDerWaalsContact CG-CG2 3.42Å; N145-V174 WeakPolarHBondContact OD1-CG2 3.33Å
175G97.7Very high95.2Very high7 Ų746.4 Ų46.47%0.07228%0.279CS..SBendtrans127.9-14.1160.600000117N145 L177 Q178 R179N145-G175 PolarHBondContact OD1-N 2.92Å; G175-L177 VanDerWaalsContact C-N 3.34Å; G175-L177 PolarHBondContact O-N 3.3Å; G175-Q178 PolarHBondContact O-N 3.31Å; G175-Q178 VanDerWaalsContact O-N 3.11Å; G175-Q178 PolarHBondContact O-OE1 2.81Å; G175-R179 WeakPolarHBondContact O-CB 3.47Å; G175-R179 WeakPolarHBondContact O-CG 3.47Å; G175-R179 PolarHBondContact O-N 2.8Å
176I96.5Very high95.1Very high0 Ų049.5 Ų49.50%030%0.297CS..Hα-helixtrans-62.3-40.7-177.9-171.2167.7000112.1F144 N145 M163 A172 Q178 R179 L180F144-I176 HydrophobicContact CB-CD1 4.12Å; F144-I176 HydrophobicContact CD1-CD1 3.16Å; F144-I176 HydrophobicContact CD2-CD1 4.22Å; F144-I176 HydrophobicContact CE1-CD1 3.44Å; F144-I176 VanDerWaalsContact CE1-CD1 3.44Å; F144-I176 HydrophobicContact CE2-CD1 4.44Å; F144-I176 HydrophobicContact CG-CD1 3.58Å; F144-I176 HydrophobicContact CZ-CD1 4.07Å; N145-I176 HydrophobicContact CB-CB 4.47Å; N145-I176 VanDerWaalsContact OD1-CB 3.25Å; N145-I176 WeakPolarHBondContact OD1-CB 3.43Å; N145-I176 VanDerWaalsContact OD1-CG2 3.24Å; N145-I176 WeakPolarHBondContact OD1-CG2 3.47Å; N145-I176 PolarHBondContact OD1-N 3.28Å; M163-I176 HydrophobicContact CE-CD1 3.8Å; M163-I176 HydrophobicContact CE-CG1 3.96Å; M163-I176 HydrophobicContact CE-CG2 3.98Å; M163-I176 HydrophobicContact SD-CG2 4.45Å; A172-I176 HydrophobicContact CB-CG2 3.36Å; I176-Q178 PolarHBondContact O-N 3.08Å; I176-R179 PolarHBondContact O-N 3.34Å; I176-L180 HydrophobicContact CD1-CD2 4.39Å; I176-L180 HydrophobicContact CG1-CB 4.01Å; I176-L180 HydrophobicContact CG1-CD2 4.17Å; I176-L180 WeakPolarHBondContact O-CB 3.41Å; I176-L180 PolarHBondContact O-N 3.17Å
177L96.8Very high95.1Very high69 Ų6951.1 Ų51.136%0.36130%0.3SS..Hα-helixtrans-67.3-20.7178-61-174.1000112.7M163 A171 A172 G175 P181M163-L177 HydrophobicContact CE-CD2 3.67Å; M163-L177 HydrophobicContact SD-CD2 3.69Å; A171-L177 HydrophobicContact CB-CD1 4.31Å; A172-L177 HydrophobicContact CB-CG 4.21Å; A172-L177 WeakPolarHBondContact O-CD1 3.33Å; A172-L177 WeakPolarHBondContact O-CG 3.47Å; G175-L177 VanDerWaalsContact C-N 3.34Å; G175-L177 PolarHBondContact O-N 3.3Å; L177-P181 WeakPolarHBondContact O-CD 3.43Å; L177-P181 VanDerWaalsContact O-CG 3.27Å; L177-P181 WeakPolarHBondContact O-CG 3.5Å
178Q97.7Very high95.1Very high101 Ų10151 Ų5147%0.47231%0.309SS..Hα-helixtrans-93.5-31.3-179.8-63.672.224.500112G175 I176 K182G175-Q178 PolarHBondContact O-N 3.31Å; G175-Q178 VanDerWaalsContact O-N 3.11Å; G175-Q178 PolarHBondContact O-OE1 2.81Å; I176-Q178 PolarHBondContact O-N 3.08Å; Q178-K182 WeakPolarHBondContact O-CD 3.49Å; Q178-K182 WeakPolarHBondContact O-CE 3.28Å
179R97.5Very high95.1Very high19 Ų1948.3 Ų48.37%0.07230%0.295CS..Hα-helixtrans-94.1-46.5-177.9-65.6-172-177.393.48.3113T122 E125 C148 G175 I176 P181 K182 M183T122-R179 PolarHBondContact OG1-NH2 2.87Å; T122-R179 VanDerWaalsContact OG1-NH2 3.11Å; E125-R179 IonicContact OE2-CZ 2.8Å; E125-R179 IonicContact OE2-NE 3.56Å; E125-R179 PolarHBondContact OE2-NE 3.4Å; C148-R179 HydrophobicContact CB-CB 4.28Å; C148-R179 WeakPolarHBondContact O-CD 3.49Å; G175-R179 WeakPolarHBondContact O-CB 3.47Å; G175-R179 WeakPolarHBondContact O-CG 3.47Å; G175-R179 PolarHBondContact O-N 2.8Å; I176-R179 PolarHBondContact O-N 3.34Å; R179-P181 VanDerWaalsContact C-CD 3.47Å; R179-K182 WeakPolarHBondContact O-CA 3.49Å; R179-K182 WeakPolarHBondContact O-CB 3.02Å; R179-K182 PolarHBondContact O-N 2.65Å; R179-M183 HydrophobicContact CB-SD 4.25Å; R179-M183 WeakPolarHBondContact O-CG 2.93Å; R179-M183 PolarHBondContact O-N 3.06Å
180L95.2Very high95.1Very high2 Ų246 Ų461%0.0127%0.267CS..G310 helixtrans-56.3-43.5-173-172.864.2000113.7F144 M163 I176 K182 M183 I184 M190 L210F144-L180 HydrophobicContact CZ-CD1 4.32Å; M163-L180 HydrophobicContact CE-CD2 4.25Å; I176-L180 HydrophobicContact CD1-CD2 4.39Å; I176-L180 HydrophobicContact CG1-CB 4.01Å; I176-L180 HydrophobicContact CG1-CD2 4.17Å; I176-L180 WeakPolarHBondContact O-CB 3.41Å; I176-L180 PolarHBondContact O-N 3.17Å; L180-K182 PolarHBondContact O-N 2.79Å; L180-K182 VanDerWaalsContact O-N 3.08Å; L180-M183 WeakPolarHBondContact O-CB 3.34Å; L180-M183 PolarHBondContact O-N 2.98Å; L180-I184 HydrophobicContact CD1-CD1 3.95Å; L180-I184 HydrophobicContact CD1-CG1 4.22Å; L180-I184 HydrophobicContact CD1-CG2 4.4Å; L180-I184 HydrophobicContact CD2-CD1 4.45Å; L180-I184 HydrophobicContact CG-CD1 3.99Å; L180-I184 HydrophobicContact CG-CG1 4.26Å; L180-I184 PolarHBondContact O-N 3.2Å; L180-M190 HydrophobicContact CD2-CG 3.83Å; L180-M190 HydrophobicContact CG-CG 4.13Å; L180-M190 HydrophobicContact CG-SD 4.34Å; L180-L210 HydrophobicContact CD1-CD1 3.55Å
181P94.5Very high95.3Very high39 Ų3950 Ų5025%0.25328%0.28SS..G310 helixtrans-63.4-17.1177.8-17.328.6000114.1L177 R179 H187 M190L177-P181 WeakPolarHBondContact O-CD 3.43Å; L177-P181 VanDerWaalsContact O-CG 3.27Å; L177-P181 WeakPolarHBondContact O-CG 3.5Å; R179-P181 VanDerWaalsContact C-CD 3.47Å; P181-H187 PolarHBondContact O-CE1 2.88Å; P181-M190 HydrophobicContact CB-CE 4.45Å; P181-M190 HydrophobicContact CB-SD 3.87Å; P181-M190 HydrophobicContact CG-CE 4.11Å; P181-M190 HydrophobicContact CG-SD 3.62Å
182K95.9Very high95.2Very high107 Ų10750.9 Ų50.947%0.46527%0.271SS..G310 helixtrans-93-6177.6-55.2176.6174.7-171.30112.4Q178 R179 L180 R251 D252Q178-K182 WeakPolarHBondContact O-CD 3.49Å; Q178-K182 WeakPolarHBondContact O-CE 3.28Å; R179-K182 WeakPolarHBondContact O-CA 3.49Å; R179-K182 WeakPolarHBondContact O-CB 3.02Å; R179-K182 PolarHBondContact O-N 2.65Å; L180-K182 PolarHBondContact O-N 2.79Å; L180-K182 VanDerWaalsContact O-N 3.08Å; K182-R251 HydrophobicContact CB-CG 4.08Å; K182-R251 HydrophobicContact CD-CG 3.82Å; K182-R251 HydrophobicContact CG-CG 4.38Å; K182-D252 IonicContact NZ-OD1 2.64Å; K182-D252 PolarHBondContact NZ-OD1 2.91Å
183M94.4Very high95.1Very high48 Ų4851 Ų5124%0.23627%0.271CS..THydrogen-bonded Turntrans-106.1-34-177.1-61.2165.574.300112.3C148 R153 R179 L180 L210C148-M183 HydrophobicContact CB-CE 4.42Å; C148-M183 HydrophobicContact CB-SD 3.97Å; R153-M183 VanDerWaalsContact NE-CE 3.25Å; R179-M183 HydrophobicContact CB-SD 4.25Å; R179-M183 WeakPolarHBondContact O-CG 2.93Å; R179-M183 PolarHBondContact O-N 3.06Å; L180-M183 WeakPolarHBondContact O-CB 3.34Å; L180-M183 PolarHBondContact O-N 2.98Å; M183-L210 HydrophobicContact CE-CD1 4.28Å
184I93.6Very high95Very high7 Ų749.2 Ų49.24%0.03626%0.263CS..  trans-122.3136.2-175.564.7174000111L180 M190 L208 L210L180-I184 HydrophobicContact CD1-CD1 3.95Å; L180-I184 HydrophobicContact CD1-CG1 4.22Å; L180-I184 HydrophobicContact CD1-CG2 4.4Å; L180-I184 HydrophobicContact CD2-CD1 4.45Å; L180-I184 HydrophobicContact CG-CD1 3.99Å; L180-I184 HydrophobicContact CG-CG1 4.26Å; L180-I184 PolarHBondContact O-N 3.2Å; I184-M190 HydrophobicContact CD1-CB 3.77Å; I184-M190 HydrophobicContact CD1-CG 3.93Å; I184-M190 HydrophobicContact CG1-CB 4.46Å; I184-L208 WeakPolarHBondContact CB-O 3.47Å; I184-L208 HydrophobicContact CD1-CD1 4.33Å; I184-L208 HydrophobicContact CG2-CB 4.21Å; I184-L208 VanDerWaalsContact CG2-O 3.31Å; I184-L208 WeakPolarHBondContact CG2-O 3.25Å; I184-L210 HydrophobicContact CG2-CB 4.03Å; I184-L210 HydrophobicContact CG2-CD1 4.2Å
185G90.9Very high95Very high67 Ų6755.7 Ų55.769%0.69129%0.291SS*.SBendtrans-82.9-21.5-176.100000114.8H187G185-H187 PolarHBondContact O-CD2 3.41Å; G185-H187 PolarHBondContact O-N 3.4Å; G185-H187 VanDerWaalsContact O-N 3.09Å
186N94.9Very high95Very high77 Ų7758.6 Ų58.641%0.41231%0.307SS..  trans-86.283.5-179.7-170.9-18.9000111.2S188 L189 M190 L208N186-S188 VanDerWaalsContact C-N 3.27Å; N186-S188 PolarHBondContact O-N 3.18Å; N186-S188 PolarHBondContact OD1-N 2.98Å; N186-L189 HydrophobicContact CB-CB 4.39Å; N186-L189 PolarHBondContact O-N 3.34Å; N186-L189 PolarHBondContact OD1-N 3.42Å; N186-M190 PolarHBondContact O-N 3.43Å; N186-M190 VanDerWaalsContact O-N 3.07Å; N186-L208 HydrophobicContact CB-CD2 3.58Å
187H94.2Very high95Very high92 Ų9258.6 Ų58.643%0.42631%0.307SS..Hα-helixtrans-64.3-27.5-180-66.4-87.9000113.8P181 G185 R191P181-H187 PolarHBondContact O-CE1 2.88Å; G185-H187 PolarHBondContact O-CD2 3.41Å; G185-H187 PolarHBondContact O-N 3.4Å; G185-H187 VanDerWaalsContact O-N 3.09Å; H187-R191 VanDerWaalsContact O-CG 3.29Å; H187-R191 WeakPolarHBondContact O-CG 3.22Å; H187-R191 PolarHBondContact O-N 3.09Å
188S96Very high95Very high92 Ų9258.1 Ų58.164%0.64330%0.303SS*.Hα-helixtrans-66.1-51.9177.8-172.70000110.5N186 M190 R191 E192N186-S188 VanDerWaalsContact C-N 3.27Å; N186-S188 PolarHBondContact O-N 3.18Å; N186-S188 PolarHBondContact OD1-N 2.98Å; S188-M190 VanDerWaalsContact C-N 3.31Å; S188-M190 PolarHBondContact O-N 3.11Å; S188-R191 PolarHBondContact O-N 2.73Å; S188-R191 VanDerWaalsContact O-N 3.15Å; S188-E192 PolarHBondContact O-N 2.95Å
189L91.2Very high95Very high26 Ų2657.5 Ų57.514%0.13630%0.3CS..Hα-helixtrans-65.5-36.7178.7-178.352000111.7N186 R191 E192 F193 E204 L208N186-L189 HydrophobicContact CB-CB 4.39Å; N186-L189 PolarHBondContact O-N 3.34Å; N186-L189 PolarHBondContact OD1-N 3.42Å; L189-R191 VanDerWaalsContact C-N 3.32Å; L189-R191 PolarHBondContact O-N 3.43Å; L189-E192 PolarHBondContact O-N 3.36Å; L189-F193 WeakPolarHBondContact O-CB 3.5Å; L189-F193 PolarHBondContact O-N 3.47Å; L189-E204 WeakPolarHBondContact CD1-OE1 3.45Å; L189-E204 HydrophobicContact CD2-CG 4.23Å; L189-E204 WeakPolarHBondContact CD2-OE1 3.33Å; L189-L208 HydrophobicContact CB-CD2 4.37Å; L189-L208 HydrophobicContact CD2-CD1 3.87Å; L189-L208 HydrophobicContact CD2-CD2 3.71Å; L189-L208 HydrophobicContact CD2-CG 3.97Å; L189-L208 HydrophobicContact CG-CD1 4.17Å; L189-L208 HydrophobicContact CG-CD2 4.28Å
190M91.5Very high94.9Very high23 Ų2356.8 Ų56.811%0.11330%0.297CS..Hα-helixtrans-57-44.7171.9-175.5-158.574.900112L180 P181 I184 N186 S188 F193 A194L180-M190 HydrophobicContact CD2-CG 3.83Å; L180-M190 HydrophobicContact CG-CG 4.13Å; L180-M190 HydrophobicContact CG-SD 4.34Å; P181-M190 HydrophobicContact CB-CE 4.45Å; P181-M190 HydrophobicContact CB-SD 3.87Å; P181-M190 HydrophobicContact CG-CE 4.11Å; P181-M190 HydrophobicContact CG-SD 3.62Å; I184-M190 HydrophobicContact CD1-CB 3.77Å; I184-M190 HydrophobicContact CD1-CG 3.93Å; I184-M190 HydrophobicContact CG1-CB 4.46Å; N186-M190 PolarHBondContact O-N 3.43Å; N186-M190 VanDerWaalsContact O-N 3.07Å; S188-M190 VanDerWaalsContact C-N 3.31Å; S188-M190 PolarHBondContact O-N 3.11Å; M190-F193 PolarHBondContact O-N 3.39Å; M190-A194 VanDerWaalsContact O-CB 3.3Å; M190-A194 WeakPolarHBondContact O-CB 3.37Å; M190-A194 PolarHBondContact O-N 3.15Å
191R95.2Very high95.1Very high140 Ų14060.9 Ų60.953%0.52832%0.317SS..Hα-helixtrans-66.6-43.7178.8-75.6173.1-175.4-83.41.3111.7H187 S188 L189 F193 A194 F195H187-R191 VanDerWaalsContact O-CG 3.29Å; H187-R191 WeakPolarHBondContact O-CG 3.22Å; H187-R191 PolarHBondContact O-N 3.09Å; S188-R191 PolarHBondContact O-N 2.73Å; S188-R191 VanDerWaalsContact O-N 3.15Å; L189-R191 VanDerWaalsContact C-N 3.32Å; L189-R191 PolarHBondContact O-N 3.43Å; R191-F193 VanDerWaalsContact C-N 3.32Å; R191-F193 PolarHBondContact O-N 2.86Å; R191-A194 PolarHBondContact O-N 3.44Å; R191-F195 HydrophobicContact CB-CD2 4.21Å; R191-F195 HydrophobicContact CB-CE2 3.76Å; R191-F195 HydrophobicContact CB-CZ 4.16Å; R191-F195 HydrophobicContact CG-CE2 4.24Å; R191-F195 HydrophobicContact CG-CZ 4.2Å; R191-F195 WeakPolarHBondContact O-CB 3.24Å; R191-F195 WeakPolarHBondContact O-CD2 3.42Å; R191-F195 WeakPolarHBondContact O-CG 3.25Å; R191-F195 PolarHBondContact O-N 3.37Å
192E95.5Very high95.3Very high94 Ų9459.1 Ų59.144%0.43931%0.306SS..Hα-helixtrans-56.1-49.4174.6-175.9-171.3130.500110.9S188 L189 A194 F195 T196 K198S188-E192 PolarHBondContact O-N 2.95Å; L189-E192 PolarHBondContact O-N 3.36Å; E192-A194 PolarHBondContact O-N 2.79Å; E192-F195 PolarHBondContact O-N 3.24Å; E192-T196 HydrophobicContact CG-CG2 4.5Å; E192-T196 WeakPolarHBondContact O-CB 3.37Å; E192-T196 VanDerWaalsContact O-CG2 3.25Å; E192-T196 WeakPolarHBondContact O-CG2 3.41Å; E192-T196 PolarHBondContact O-N 3.27Å; E192-T196 PolarHBondContact O-OG1 2.94Å; E192-K198 WeakPolarHBondContact OE1-CE 3.39Å; E192-K198 IonicContact OE1-NZ 2.62Å; E192-K198 PolarHBondContact OE1-NZ 2.76Å
193F93.1Very high95.4Very high6 Ų659.2 Ų59.23%0.02631%0.308CS..Hα-helixtrans-60.6-45.3177.3166.8-97.5000112.6F144 F161 M163 L189 M190 R191 G197 K198 L200F144-F193 HydrophobicContact CD1-CE1 4.18Å; F144-F193 AromaticContact CD1-CZ 3.91Å; F144-F193 HydrophobicContact CD1-CZ 3.91Å; F144-F193 AromaticContact CE1-CE1 3.48Å; F144-F193 HydrophobicContact CE1-CE1 3.48Å; F144-F193 VanDerWaalsContact CE1-CE1 3.48Å; F144-F193 AromaticContact CE1-CZ 3.41Å; F144-F193 HydrophobicContact CE1-CZ 3.41Å; F144-F193 VanDerWaalsContact CE1-CZ 3.41Å; F144-F193 HydrophobicContact CZ-CE1 4.48Å; F144-F193 HydrophobicContact CZ-CZ 4.47Å; F161-F193 WeakPolarHBondContact O-CE2 3.48Å; M163-F193 HydrophobicContact CB-CD1 4.41Å; M163-F193 HydrophobicContact CB-CE1 3.57Å; M163-F193 HydrophobicContact CB-CZ 3.83Å; M163-F193 HydrophobicContact CE-CD1 4.43Å; M163-F193 HydrophobicContact CE-CE1 4.08Å; L189-F193 WeakPolarHBondContact O-CB 3.5Å; L189-F193 PolarHBondContact O-N 3.47Å; M190-F193 PolarHBondContact O-N 3.39Å; R191-F193 VanDerWaalsContact C-N 3.32Å; R191-F193 PolarHBondContact O-N 2.86Å; F193-G197 WeakPolarHBondContact O-CA 3.3Å; F193-G197 PolarHBondContact O-N 3Å; F193-K198 HydrophobicContact CD2-CG 4.18Å; F193-K198 VanDerWaalsContact CD2-O 3.25Å; F193-K198 WeakPolarHBondContact CD2-O 3.46Å; F193-K198 WeakPolarHBondContact CE2-O 3.48Å; F193-L200 HydrophobicContact CD2-CB 3.91Å; F193-L200 HydrophobicContact CE2-CB 3.78Å
194A95Very high95.4Very high12 Ų1258.8 Ų58.810%0.09931%0.306CS..Hα-helixtrans-67.9-36.9-179.500000113.3M163 V166 M190 R191 E192M163-A194 HydrophobicContact CE-CB 3.8Å; M163-A194 HydrophobicContact SD-CB 3.67Å; V166-A194 WeakPolarHBondContact CG1-O 3.33Å; M190-A194 VanDerWaalsContact O-CB 3.3Å; M190-A194 WeakPolarHBondContact O-CB 3.37Å; M190-A194 PolarHBondContact O-N 3.15Å; R191-A194 PolarHBondContact O-N 3.44Å; E192-A194 PolarHBondContact O-N 2.79Å
195F97.3Very high95.6Very high142 Ų14258.5 Ų58.562%0.62330%0.304SS*.Hα-helixtrans-81.2-29.2-177.9-60.4-25000113.3R191 E192R191-F195 HydrophobicContact CB-CD2 4.21Å; R191-F195 HydrophobicContact CB-CE2 3.76Å; R191-F195 HydrophobicContact CB-CZ 4.16Å; R191-F195 HydrophobicContact CG-CE2 4.24Å; R191-F195 HydrophobicContact CG-CZ 4.2Å; R191-F195 WeakPolarHBondContact O-CB 3.24Å; R191-F195 WeakPolarHBondContact O-CD2 3.42Å; R191-F195 WeakPolarHBondContact O-CG 3.25Å; R191-F195 PolarHBondContact O-N 3.37Å; E192-F195 PolarHBondContact O-N 3.24Å
196T97.3Very high95.9Very high67 Ų6758.5 Ų58.541%0.41129%0.288SS..Hα-helixtrans-92-25.8-179.759.80000112.7Q167 E192 K198Q167-T196 PolarHBondContact NE2-O 3.48Å; E192-T196 HydrophobicContact CG-CG2 4.5Å; E192-T196 WeakPolarHBondContact O-CB 3.37Å; E192-T196 VanDerWaalsContact O-CG2 3.25Å; E192-T196 WeakPolarHBondContact O-CG2 3.41Å; E192-T196 PolarHBondContact O-N 3.27Å; E192-T196 PolarHBondContact O-OG1 2.94Å; T196-K198 PolarHBondContact O-N 3.17Å; T196-K198 WeakPolarHBondContact OG1-CB 3.24Å; T196-K198 WeakPolarHBondContact OG1-CG 3.39Å; T196-K198 PolarHBondContact OG1-N 2.85Å
197G96.4Very high95.9Very high0 Ų063.2 Ų63.20%030%0.3CS..  trans6126-167.500000112.3Q162 M163 Q167 F193Q162-G197 VanDerWaalsContact CG-O 3.32Å; Q162-G197 WeakPolarHBondContact CG-O 3.32Å; Q162-G197 PolarHBondContact NE2-O 2.84Å; M163-G197 VanDerWaalsContact O-CA 3.27Å; M163-G197 WeakPolarHBondContact O-CA 3.41Å; Q167-G197 PolarHBondContact NE2-O 2.48Å; F193-G197 WeakPolarHBondContact O-CA 3.3Å; F193-G197 PolarHBondContact O-N 3Å
198K97.1Very high95.9Very high60 Ų6059.8 Ų59.826%0.26129%0.285SS..  trans-63.4162175.775176.7-170.2169.70110.9E192 F193 T196 E204E192-K198 WeakPolarHBondContact OE1-CE 3.39Å; E192-K198 IonicContact OE1-NZ 2.62Å; E192-K198 PolarHBondContact OE1-NZ 2.76Å; F193-K198 HydrophobicContact CD2-CG 4.18Å; F193-K198 VanDerWaalsContact CD2-O 3.25Å; F193-K198 WeakPolarHBondContact CD2-O 3.46Å; F193-K198 WeakPolarHBondContact CE2-O 3.48Å; T196-K198 PolarHBondContact O-N 3.17Å; T196-K198 WeakPolarHBondContact OG1-CB 3.24Å; T196-K198 WeakPolarHBondContact OG1-CG 3.39Å; T196-K198 PolarHBondContact OG1-N 2.85Å; K198-E204 IonicContact NZ-OE1 4Å
199Q97.6Very high95.9Very high88 Ų8857.3 Ų57.341%0.41127%0.273SS..  trans-79.3134.2171.4-67.1177.4-16.100110Y160 Q162 M201Y160-Q199 HydrophobicContact CD2-CB 4.03Å; Y160-Q199 HydrophobicContact CD2-CG 3.62Å; Y160-Q199 HydrophobicContact CE2-CG 3.86Å; Y160-Q199 HydrophobicContact CG-CG 4.43Å; Q162-Q199 HydrophobicContact CB-CG 4.49Å; Q162-Q199 HydrophobicContact CG-CG 4.47Å; Q199-M201 HydrophobicContact CB-SD 4.26Å
200L97.2Very high96.2Very high4 Ų456.1 Ų56.12%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-100.8108.4170.1-179.676.7000108Y160 F161 F193 E204 A205 L208 L210Y160-L200 CarbonylContact C-O 3.48Å; Y160-L200 VanDerWaalsContact CA-O 3.32Å; Y160-L200 WeakPolarHBondContact CA-O 3.42Å; F161-L200 HydrophobicContact CB-CB 4.33Å; F161-L200 WeakPolarHBondContact CD2-O 3.27Å; F161-L200 PolarHBondContact N-O 3.36Å; F161-L200 PolarHBondContact O-N 2.86Å; F193-L200 HydrophobicContact CD2-CB 3.91Å; F193-L200 HydrophobicContact CE2-CB 3.78Å; L200-E204 HydrophobicContact CD1-CB 3.65Å; L200-E204 VanDerWaalsContact CD1-CD 3.42Å; L200-E204 HydrophobicContact CD1-CG 3.47Å; L200-E204 VanDerWaalsContact CD1-CG 3.47Å; L200-E204 WeakPolarHBondContact CD1-OE2 3.48Å; L200-E204 HydrophobicContact CG-CB 4.4Å; L200-A205 HydrophobicContact CD2-CB 4.01Å; L200-A205 HydrophobicContact CG-CB 4.25Å; L200-L208 HydrophobicContact CD1-CD1 3.73Å; L200-L208 HydrophobicContact CD2-CD1 3.95Å; L200-L208 HydrophobicContact CG-CD1 4.5Å; L200-L210 HydrophobicContact CD2-CD2 3.5Å
201M98.2Very high96.5Very high87 Ų8755.1 Ų55.143%0.42926%0.262SS..EExtended strand (participates in β ladder)trans-77.3159-177.2-56.4-54.3-64.100111.7Y160 Q199 E203 E204 A205Y160-M201 VanDerWaalsContact CB-SD 3.54Å; Y160-M201 HydrophobicContact CG-SD 4.38Å; Q199-M201 HydrophobicContact CB-SD 4.26Å; M201-E203 VanDerWaalsContact C-N 3.33Å; M201-E203 PolarHBondContact O-N 2.82Å; M201-E203 VanDerWaalsContact O-N 3.17Å; M201-E204 PolarHBondContact O-N 3.15Å; M201-A205 PolarHBondContact O-N 3.43Å
202A98.6Very high96.7Very high2 Ų251.7 Ų51.72%0.01726%0.26CS..Hα-helixtrans-45.5-48.9-175.600000114.4A159 E204 A205 L206 I214A159-A202 PolarHBondContact O-N 3.46Å; A202-E204 VanDerWaalsContact C-N 3.34Å; A202-E204 PolarHBondContact O-N 2.95Å; A202-A205 WeakPolarHBondContact O-CB 3.35Å; A202-A205 PolarHBondContact O-N 2.91Å; A202-L206 PolarHBondContact O-N 3.1Å; A202-I214 VanDerWaalsContact C-CD1 3.43Å; A202-I214 HydrophobicContact CB-CD1 3.97Å; A202-I214 HydrophobicContact CB-CG1 4.25Å; A202-I214 HydrophobicContact CB-CG2 4.27Å; A202-I214 VanDerWaalsContact O-CD1 3.32Å; A202-I214 WeakPolarHBondContact O-CD1 3.05Å
203E98Very high96.8Very high109 Ų10954 Ų5451%0.50927%0.265SS..Hα-helixtrans-61.3-39.7179.8-72.8-60.6150.900113.3M201 L206 R207 I214M201-E203 VanDerWaalsContact C-N 3.33Å; M201-E203 PolarHBondContact O-N 2.82Å; M201-E203 VanDerWaalsContact O-N 3.17Å; E203-L206 PolarHBondContact O-N 3.24Å; E203-R207 WeakPolarHBondContact O-CG 3.46Å; E203-R207 PolarHBondContact O-N 2.97Å; E203-R207 VanDerWaalsContact O-N 3.09Å; E203-R207 PolarHBondContact O-NH1 3.46Å; E203-I214 HydrophobicContact CG-CD1 4.32Å; E203-I214 WeakPolarHBondContact OE1-CD1 3.4Å
204E95.4Very high97.1Very high40 Ų4055.3 Ų55.319%0.18727%0.271CS..Hα-helixtrans-73.1-37.6177-160179.1-17600110.9L189 K198 L200 M201 A202 L206 R207 L208L189-E204 WeakPolarHBondContact CD1-OE1 3.45Å; L189-E204 HydrophobicContact CD2-CG 4.23Å; L189-E204 WeakPolarHBondContact CD2-OE1 3.33Å; K198-E204 IonicContact NZ-OE1 4Å; L200-E204 HydrophobicContact CD1-CB 3.65Å; L200-E204 VanDerWaalsContact CD1-CD 3.42Å; L200-E204 HydrophobicContact CD1-CG 3.47Å; L200-E204 VanDerWaalsContact CD1-CG 3.47Å; L200-E204 WeakPolarHBondContact CD1-OE2 3.48Å; L200-E204 HydrophobicContact CG-CB 4.4Å; M201-E204 PolarHBondContact O-N 3.15Å; A202-E204 VanDerWaalsContact C-N 3.34Å; A202-E204 PolarHBondContact O-N 2.95Å; E204-L206 VanDerWaalsContact C-N 3.32Å; E204-L206 PolarHBondContact O-N 3.42Å; E204-R207 PolarHBondContact O-N 3.04Å; E204-L208 WeakPolarHBondContact O-CB 3.34Å; E204-L208 WeakPolarHBondContact O-CG 3.45Å; E204-L208 PolarHBondContact O-N 3.26Å
205A97.2Very high97.3Very high0 Ų056.3 Ų56.30%028%0.275CS..Hα-helixtrans-60-40.5172.500000112.1F161 L200 M201 A202 L208 G209 L210 V211F161-A205 HydrophobicContact CD2-CB 3.75Å; F161-A205 HydrophobicContact CE2-CB 3.58Å; L200-A205 HydrophobicContact CD2-CB 4.01Å; L200-A205 HydrophobicContact CG-CB 4.25Å; M201-A205 PolarHBondContact O-N 3.43Å; A202-A205 WeakPolarHBondContact O-CB 3.35Å; A202-A205 PolarHBondContact O-N 2.91Å; A205-L208 PolarHBondContact O-N 3.02Å; A205-G209 PolarHBondContact O-N 3.3Å; A205-L210 HydrophobicContact CB-CB 4.15Å; A205-L210 HydrophobicContact CB-CD2 4Å; A205-L210 VanDerWaalsContact O-CB 3.28Å; A205-L210 WeakPolarHBondContact O-CB 3.45Å; A205-L210 PolarHBondContact O-N 3.19Å; A205-V211 HydrophobicContact CB-CG2 4.05Å; A205-V211 PolarHBondContact O-N 3.33Å
206L97.3Very high97.3Very high67 Ų6753.7 Ų53.735%0.35127%0.272SS..Hα-helixtrans-66-46.8175.3179.766.1000111.4A202 E203 E204 L208 G209 V211 I214A202-L206 PolarHBondContact O-N 3.1Å; E203-L206 PolarHBondContact O-N 3.24Å; E204-L206 VanDerWaalsContact C-N 3.32Å; E204-L206 PolarHBondContact O-N 3.42Å; L206-L208 PolarHBondContact O-N 2.9Å; L206-G209 PolarHBondContact O-N 3.2Å; L206-V211 HydrophobicContact CB-CG2 3.96Å; L206-V211 HydrophobicContact CD1-CG2 4.37Å; L206-V211 WeakPolarHBondContact CD1-O 3.24Å; L206-I214 HydrophobicContact CB-CD1 3.67Å; L206-I214 HydrophobicContact CB-CG1 4.02Å; L206-I214 HydrophobicContact CD2-CD1 3.72Å; L206-I214 HydrophobicContact CD2-CG1 4.03Å; L206-I214 HydrophobicContact CG-CD1 4.3Å; L206-I214 HydrophobicContact CG-CG1 4.48Å
207R95.1Very high97.4Very high177 Ų17752.6 Ų52.667%0.66827%0.267SS*.Hα-helixtrans-59.2-32.4177.1-74.3-169.3-59.1-88.44.2113.1E203 E204 G209E203-R207 WeakPolarHBondContact O-CG 3.46Å; E203-R207 PolarHBondContact O-N 2.97Å; E203-R207 VanDerWaalsContact O-N 3.09Å; E203-R207 PolarHBondContact O-NH1 3.46Å; E204-R207 PolarHBondContact O-N 3.04Å; R207-G209 VanDerWaalsContact C-N 3.29Å
208L94.1Very high97.5Very high20 Ų2054.5 Ų54.511%0.10528%0.28CS..THydrogen-bonded Turntrans-76.8-11.9176.2-78.1177.4000114.1I184 N186 L189 L200 E204 A205 L206 L210I184-L208 WeakPolarHBondContact CB-O 3.47Å; I184-L208 HydrophobicContact CD1-CD1 4.33Å; I184-L208 HydrophobicContact CG2-CB 4.21Å; I184-L208 VanDerWaalsContact CG2-O 3.31Å; I184-L208 WeakPolarHBondContact CG2-O 3.25Å; N186-L208 HydrophobicContact CB-CD2 3.58Å; L189-L208 HydrophobicContact CB-CD2 4.37Å; L189-L208 HydrophobicContact CD2-CD1 3.87Å; L189-L208 HydrophobicContact CD2-CD2 3.71Å; L189-L208 HydrophobicContact CD2-CG 3.97Å; L189-L208 HydrophobicContact CG-CD1 4.17Å; L189-L208 HydrophobicContact CG-CD2 4.28Å; L200-L208 HydrophobicContact CD1-CD1 3.73Å; L200-L208 HydrophobicContact CD2-CD1 3.95Å; L200-L208 HydrophobicContact CG-CD1 4.5Å; E204-L208 WeakPolarHBondContact O-CB 3.34Å; E204-L208 WeakPolarHBondContact O-CG 3.45Å; E204-L208 PolarHBondContact O-N 3.26Å; A205-L208 PolarHBondContact O-N 3.02Å; L206-L208 PolarHBondContact O-N 2.9Å; L208-L210 HydrophobicContact CB-CB 4.5Å
209G95.6Very high97.5Very high39 Ų3959.7 Ų59.740%0.40230%0.303SS..THydrogen-bonded Turntrans75.112.3-169.600000113.6A205 L206 R207A205-G209 PolarHBondContact O-N 3.3Å; L206-G209 PolarHBondContact O-N 3.2Å; R207-G209 VanDerWaalsContact C-N 3.29Å
210L97.2Very high97.6Very high1 Ų159.8 Ų59.81%0.00530%0.304CS..SBendtrans-66.7-41.6178.3-176.864.1000111F144 F147 R153 F161 L180 M183 I184 L200 A205 L208F144-L210 HydrophobicContact CE2-CD1 4.18Å; F144-L210 HydrophobicContact CE2-CD2 3.86Å; F144-L210 HydrophobicContact CE2-CG 4.49Å; F144-L210 HydrophobicContact CZ-CD1 4.22Å; F144-L210 HydrophobicContact CZ-CD2 3.63Å; F147-L210 HydrophobicContact CE1-CD1 3.76Å; F147-L210 HydrophobicContact CE1-CD2 4.22Å; F147-L210 HydrophobicContact CE1-CG 3.77Å; F147-L210 HydrophobicContact CZ-CG 4.16Å; R153-L210 PolarHBondContact NE-O 2.95Å; R153-L210 PolarHBondContact NH2-O 2.82Å; R153-L210 VanDerWaalsContact NH2-O 3.14Å; F161-L210 HydrophobicContact CB-CD2 4.42Å; F161-L210 HydrophobicContact CD1-CD2 4.41Å; F161-L210 HydrophobicContact CD2-CD2 4.09Å; F161-L210 HydrophobicContact CG-CD2 4.03Å; L180-L210 HydrophobicContact CD1-CD1 3.55Å; M183-L210 HydrophobicContact CE-CD1 4.28Å; I184-L210 HydrophobicContact CG2-CB 4.03Å; I184-L210 HydrophobicContact CG2-CD1 4.2Å; L200-L210 HydrophobicContact CD2-CD2 3.5Å; A205-L210 HydrophobicContact CB-CB 4.15Å; A205-L210 HydrophobicContact CB-CD2 4Å; A205-L210 VanDerWaalsContact O-CB 3.28Å; A205-L210 WeakPolarHBondContact O-CB 3.45Å; A205-L210 PolarHBondContact O-N 3.19Å; L208-L210 HydrophobicContact CB-CB 4.5Å
211V98.5Very high97.7Very high2 Ų259.6 Ų59.61%0.01230%0.303CS..  trans-114.2149.6170.8-65.50000110.1F147 R153 C155 F161 A205 L206 I214F147-V211 HydrophobicContact CE2-CG1 4.27Å; F147-V211 HydrophobicContact CZ-CG1 3.79Å; R153-V211 HydrophobicContact CB-CG1 4.37Å; R153-V211 CarbonylContact O-C 3.58Å; R153-V211 WeakPolarHBondContact O-CA 3.35Å; C155-V211 HydrophobicContact CB-CG1 4.2Å; F161-V211 HydrophobicContact CE2-CG1 4.15Å; F161-V211 HydrophobicContact CZ-CG1 3.69Å; A205-V211 HydrophobicContact CB-CG2 4.05Å; A205-V211 PolarHBondContact O-N 3.33Å; L206-V211 HydrophobicContact CB-CG2 3.96Å; L206-V211 HydrophobicContact CD1-CG2 4.37Å; L206-V211 WeakPolarHBondContact CD1-O 3.24Å; V211-I214 HydrophobicContact CG2-CG1 4.42Å
212S98.5Very high97.7Very high69 Ų6957.7 Ų57.748%0.48329%0.294SS..SBendtrans-89.7-25.3179.2-58.20000113.2R153R153-S212 PolarHBondContact O-N 2.66Å
213R98.6Very high97.7Very high142 Ų14260.2 Ų60.254%0.53631%0.305SS..EExtended strand (participates in β ladder)trans-150.6146.4177.2-62-170.3-173.9-167.7-1.1111.7Y154 C155 L215Y154-R213 WeakPolarHBondContact CA-O 3.32Å; Y154-R213 HydrophobicContact CD1-CB 3.65Å; Y154-R213 HydrophobicContact CD1-CG 3.95Å; Y154-R213 HydrophobicContact CD2-CB 4.35Å; Y154-R213 HydrophobicContact CE1-CB 3.78Å; Y154-R213 HydrophobicContact CE1-CG 3.52Å; Y154-R213 HydrophobicContact CE2-CB 4.45Å; Y154-R213 HydrophobicContact CE2-CG 4.39Å; Y154-R213 HydrophobicContact CG-CB 3.97Å; Y154-R213 VanDerWaalsContact CZ-CD 3.43Å; Y154-R213 WeakPolarHBondContact OH-CD 3.2Å; Y154-R213 PolarHBondContact OH-NE 2.87Å; Y154-R213 VanDerWaalsContact OH-NE 3.13Å; C155-R213 PolarHBondContact N-O 2.82Å; R213-L215 HydrophobicContact CB-CD2 3.93Å
214I98.8Very high97.7Very high33 Ų3356 Ų5617%0.16929%0.29CS..EExtended strand (participates in β ladder)trans-109.2134.2166.8-55.4171000107.9C155 A202 E203 L206 V211C155-I214 CarbonylContact O-C 3.48Å; C155-I214 VanDerWaalsContact O-CA 3.31Å; C155-I214 WeakPolarHBondContact O-CA 3.1Å; A202-I214 VanDerWaalsContact C-CD1 3.43Å; A202-I214 HydrophobicContact CB-CD1 3.97Å; A202-I214 HydrophobicContact CB-CG1 4.25Å; A202-I214 HydrophobicContact CB-CG2 4.27Å; A202-I214 VanDerWaalsContact O-CD1 3.32Å; A202-I214 WeakPolarHBondContact O-CD1 3.05Å; E203-I214 HydrophobicContact CG-CD1 4.32Å; E203-I214 WeakPolarHBondContact OE1-CD1 3.4Å; L206-I214 HydrophobicContact CB-CD1 3.67Å; L206-I214 HydrophobicContact CB-CG1 4.02Å; L206-I214 HydrophobicContact CD2-CD1 3.72Å; L206-I214 HydrophobicContact CD2-CG1 4.03Å; L206-I214 HydrophobicContact CG-CD1 4.3Å; L206-I214 HydrophobicContact CG-CG1 4.48Å; V211-I214 HydrophobicContact CG2-CG1 4.42Å
215L98.8Very high97.9Very high33 Ų3354.1 Ų54.117%0.17328%0.281CS..EExtended strand (participates in β ladder)trans-120.1156.2176.9-64-53.9000110Y154 C155 S156 S157 R213 S217 E220 A221 A224Y154-L215 HydrophobicContact CD2-CD2 4.15Å; Y154-L215 HydrophobicContact CG-CD2 4.31Å; C155-L215 PolarHBondContact O-N 3.36Å; S156-L215 CarbonylContact C-O 3.46Å; S156-L215 WeakPolarHBondContact CA-O 3.36Å; S157-L215 PolarHBondContact N-O 2.95Å; R213-L215 HydrophobicContact CB-CD2 3.93Å; L215-S217 PolarHBondContact O-N 3.49Å; L215-E220 HydrophobicContact CB-CB 4.12Å; L215-A221 HydrophobicContact CB-CB 4.02Å; L215-A221 HydrophobicContact CD2-CB 4.17Å; L215-A221 HydrophobicContact CG-CB 4.29Å; L215-A224 HydrophobicContact CD1-CB 4.31Å; L215-A224 HydrophobicContact CD2-CB 4.41Å; L215-A224 HydrophobicContact CG-CB 4.19Å
216P98.6Very high97.9Very high87 Ų8754.2 Ų54.257%0.56528%0.281SS*.SBendtrans-62.3-40.7-173.2-20.230.7000113S157 E220S157-P216 PolarHBondContact OG-O 3.19Å; P216-E220 WeakPolarHBondContact CB-OE2 3.5Å
217S98.4Very high98Very high44 Ų4454.7 Ų54.731%0.30828%0.284SS..SBendtrans-128.8161.8-17868.30000114.2S156 L215 K219 E220 A221S156-S217 VanDerWaalsContact CB-C 3.46Å; L215-S217 PolarHBondContact O-N 3.49Å; S217-K219 PolarHBondContact O-N 3.37Å; S217-E220 WeakPolarHBondContact CB-OE2 3.27Å; S217-E220 PolarHBondContact N-OE2 3.35Å; S217-E220 PolarHBondContact O-N 2.83Å; S217-E220 WeakPolarHBondContact OG-CG 3.3Å; S217-E220 PolarHBondContact OG-N 3.48Å; S217-E220 PolarHBondContact OG-OE2 3.48Å; S217-A221 PolarHBondContact O-N 2.88Å
218S98.1Very high98.2Very high40 Ų4048.1 Ų48.128%0.2826%0.262SS..Hα-helixtrans-53.3-41.6173.1173.30000112.2H136 A221 L222H136-S218 PolarHBondContact ND1-OG 3.34Å; S218-A221 PolarHBondContact O-N 3.41Å; S218-L222 WeakPolarHBondContact O-CB 3.39Å; S218-L222 PolarHBondContact O-N 3.22Å
219K98.3Very high98.4Very high169 Ų16947.1 Ų47.174%0.73526%0.257SS*.Hα-helixtrans-64.6-42.9179-175.5-179.7177.5-177.10112S217 L222 Q223S217-K219 PolarHBondContact O-N 3.37Å; K219-L222 PolarHBondContact O-N 2.86Å; K219-Q223 WeakPolarHBondContact O-CB 3.39Å; K219-Q223 PolarHBondContact O-N 3.36Å
220E98.7Very high98.5Very high91 Ų9148.9 Ų48.943%0.42525%0.254SS..Hα-helixtrans-71-37.8178.6-70.9165.2121.200112L215 P216 S217 Q223 A224L215-E220 HydrophobicContact CB-CB 4.12Å; P216-E220 WeakPolarHBondContact CB-OE2 3.5Å; S217-E220 WeakPolarHBondContact CB-OE2 3.27Å; S217-E220 PolarHBondContact N-OE2 3.35Å; S217-E220 PolarHBondContact O-N 2.83Å; S217-E220 WeakPolarHBondContact OG-CG 3.3Å; S217-E220 PolarHBondContact OG-N 3.48Å; S217-E220 PolarHBondContact OG-OE2 3.48Å; E220-Q223 PolarHBondContact O-N 3.07Å; E220-A224 VanDerWaalsContact O-CB 3.32Å; E220-A224 WeakPolarHBondContact O-CB 3.27Å; E220-A224 PolarHBondContact O-N 3.25Å
221A98.7Very high98.6Very high0 Ų053 Ų530%028%0.277CS..Hα-helixtrans-59.4-46.8172.500000111.5L215 S217 S218 A224 I225L215-A221 HydrophobicContact CB-CB 4.02Å; L215-A221 HydrophobicContact CD2-CB 4.17Å; L215-A221 HydrophobicContact CG-CB 4.29Å; S217-A221 PolarHBondContact O-N 2.88Å; S218-A221 PolarHBondContact O-N 3.41Å; A221-A224 PolarHBondContact O-N 3.02Å; A221-I225 PolarHBondContact O-N 3.21Å; A221-I225 VanDerWaalsContact O-N 3.11Å
222L98.6Very high98.6Very high46 Ų4654.3 Ų54.324%0.24128%0.283CS..Hα-helixtrans-63.9-43.9177.3-17860.9000111.5V72 S134 S218 K219 I225 V226V72-L222 HydrophobicContact CG1-CD1 4.05Å; S134-L222 PolarHBondContact OG-N 3.05Å; S218-L222 WeakPolarHBondContact O-CB 3.39Å; S218-L222 PolarHBondContact O-N 3.22Å; K219-L222 PolarHBondContact O-N 2.86Å; L222-I225 HydrophobicContact CD1-CG2 4.29Å; L222-I225 VanDerWaalsContact O-CG2 3.32Å; L222-I225 WeakPolarHBondContact O-CG2 3.35Å; L222-I225 PolarHBondContact O-N 2.93Å; L222-V226 HydrophobicContact CD1-CG2 4.21Å; L222-V226 HydrophobicContact CG-CG2 4.48Å; L222-V226 WeakPolarHBondContact O-CB 3.48Å; L222-V226 VanDerWaalsContact O-CG2 3.23Å; L222-V226 WeakPolarHBondContact O-CG2 3.45Å; L222-V226 PolarHBondContact O-N 3.11Å
223Q98.5Very high98.5Very high55 Ų5551.2 Ų51.226%0.25726%0.261SS..Hα-helixtrans-60.9-50178.1-171.759.351.800111.4Y8 K219 E220 I225 V226 D227Y8-Q223 PolarHBondContact OH-OE1 3.28Å; K219-Q223 WeakPolarHBondContact O-CB 3.39Å; K219-Q223 PolarHBondContact O-N 3.36Å; E220-Q223 PolarHBondContact O-N 3.07Å; Q223-I225 VanDerWaalsContact C-N 3.25Å; Q223-I225 PolarHBondContact O-N 3.41Å; Q223-V226 PolarHBondContact O-N 3.1Å; Q223-V226 VanDerWaalsContact O-N 3.12Å; Q223-D227 PolarHBondContact NE2-OD1 2.92Å; Q223-D227 PolarHBondContact O-N 2.81Å
224A98.8Very high98.4Very high22 Ų2250.2 Ų50.218%0.18227%0.265CS..Hα-helixtrans-60.9-34.9-177.800000112.5Y154 L215 E220 A221 L228Y154-A224 HydrophobicContact CD2-CB 4.07Å; Y154-A224 HydrophobicContact CE2-CB 4.04Å; L215-A224 HydrophobicContact CD1-CB 4.31Å; L215-A224 HydrophobicContact CD2-CB 4.41Å; L215-A224 HydrophobicContact CG-CB 4.19Å; E220-A224 VanDerWaalsContact O-CB 3.32Å; E220-A224 WeakPolarHBondContact O-CB 3.27Å; E220-A224 PolarHBondContact O-N 3.25Å; A221-A224 PolarHBondContact O-N 3.02Å; A224-L228 PolarHBondContact O-N 2.87Å
225I98.6Very high98.3Very high0 Ų053.1 Ų53.10%028%0.278CS..Hα-helixtrans-77.7-31.6178-153143.7000112.6V72 L132 C133 Y154 A221 L222 Q223 L228 A229V72-I225 HydrophobicContact CG1-CG2 3.76Å; L132-I225 HydrophobicContact CB-CD1 3.87Å; L132-I225 HydrophobicContact CB-CG1 3.61Å; L132-I225 HydrophobicContact CD2-CG1 3.92Å; L132-I225 HydrophobicContact CG-CG1 4.39Å; C133-I225 VanDerWaalsContact C-CD1 3.48Å; C133-I225 WeakPolarHBondContact O-CD1 3.48Å; Y154-I225 HydrophobicContact CD1-CD1 4.4Å; Y154-I225 HydrophobicContact CD2-CB 3.84Å; Y154-I225 HydrophobicContact CD2-CD1 4Å; Y154-I225 HydrophobicContact CD2-CG1 4.15Å; Y154-I225 HydrophobicContact CE2-CB 4.38Å; Y154-I225 HydrophobicContact CG-CB 4.48Å; Y154-I225 HydrophobicContact CG-CD1 3.82Å; Y154-I225 HydrophobicContact CG-CG1 4.46Å; A221-I225 PolarHBondContact O-N 3.21Å; A221-I225 VanDerWaalsContact O-N 3.11Å; L222-I225 HydrophobicContact CD1-CG2 4.29Å; L222-I225 VanDerWaalsContact O-CG2 3.32Å; L222-I225 WeakPolarHBondContact O-CG2 3.35Å; L222-I225 PolarHBondContact O-N 2.93Å; Q223-I225 VanDerWaalsContact C-N 3.25Å; Q223-I225 PolarHBondContact O-N 3.41Å; I225-L228 PolarHBondContact O-N 3.02Å; I225-A229 WeakPolarHBondContact O-CB 3.45Å; I225-A229 PolarHBondContact O-N 3.45Å
226V98.6Very high98Very high1 Ų154 Ų541%0.00629%0.287CS..Hα-helixtrans-67-41.9173.4169.30000110.5L29 R30 V72 L222 Q223 L228 A229 E230L29-V226 HydrophobicContact CD1-CG1 4.31Å; L29-V226 HydrophobicContact CD1-CG2 3.54Å; R30-V226 HydrophobicContact CG-CG1 4.23Å; V72-V226 HydrophobicContact CG1-CG2 4.44Å; V72-V226 HydrophobicContact CG2-CG2 4.34Å; L222-V226 HydrophobicContact CD1-CG2 4.21Å; L222-V226 HydrophobicContact CG-CG2 4.48Å; L222-V226 WeakPolarHBondContact O-CB 3.48Å; L222-V226 VanDerWaalsContact O-CG2 3.23Å; L222-V226 WeakPolarHBondContact O-CG2 3.45Å; L222-V226 PolarHBondContact O-N 3.11Å; Q223-V226 PolarHBondContact O-N 3.1Å; Q223-V226 VanDerWaalsContact O-N 3.12Å; V226-L228 VanDerWaalsContact C-N 3.31Å; V226-L228 PolarHBondContact O-N 3.37Å; V226-A229 WeakPolarHBondContact O-CB 3.2Å; V226-A229 PolarHBondContact O-N 2.87Å; V226-A229 VanDerWaalsContact O-N 3.12Å; V226-E230 PolarHBondContact O-N 3.06Å
227D98.6Very high97.8Very high77 Ų7751.8 Ų51.841%0.41227%0.273SS..Hα-helixtrans-62.8-40.3176.3-61.6-18.1000111Q223 E230 N231Q223-D227 PolarHBondContact NE2-OD1 2.92Å; Q223-D227 PolarHBondContact O-N 2.81Å; D227-E230 PolarHBondContact O-N 3.08Å; D227-N231 PolarHBondContact O-N 3.28Å; D227-N231 VanDerWaalsContact O-N 3.08Å
228L98.7Very high97.5Very high39 Ų3952 Ų5220%0.20427%0.273CS..Hα-helixtrans-63.1-43.1172177.361.2000111.5L132 I152 A224 I225 V226 E230 N231 I232L132-L228 HydrophobicContact CD2-CB 4.22Å; L132-L228 HydrophobicContact CD2-CD2 3.72Å; L132-L228 HydrophobicContact CD2-CG 3.77Å; I152-L228 HydrophobicContact CD1-CD2 4.13Å; I152-L228 HydrophobicContact CG2-CD2 3.95Å; A224-L228 PolarHBondContact O-N 2.87Å; I225-L228 PolarHBondContact O-N 3.02Å; V226-L228 VanDerWaalsContact C-N 3.31Å; V226-L228 PolarHBondContact O-N 3.37Å; L228-E230 VanDerWaalsContact C-N 3.33Å; L228-E230 PolarHBondContact O-N 3.11Å; L228-N231 PolarHBondContact O-N 2.97Å; L228-I232 HydrophobicContact CD1-CD1 4.11Å; L228-I232 HydrophobicContact CD1-CG1 4.29Å; L228-I232 HydrophobicContact CG-CD1 4Å; L228-I232 WeakPolarHBondContact O-CG1 3.37Å; L228-I232 PolarHBondContact O-N 3.41Å
229A98.7Very high97.2Very high0 Ų052.4 Ų52.40%028%0.278CS..Hα-helixtrans-62.4-4017900000112.2V33 V70 V72 L132 I225 V226 I232 S233V33-A229 HydrophobicContact CG1-CB 3.67Å; V33-A229 HydrophobicContact CG2-CB 4.03Å; V70-A229 HydrophobicContact CB-CB 4.34Å; V70-A229 HydrophobicContact CG1-CB 3.65Å; V72-A229 HydrophobicContact CG2-CB 3.65Å; L132-A229 HydrophobicContact CD2-CB 4.19Å; I225-A229 WeakPolarHBondContact O-CB 3.45Å; I225-A229 PolarHBondContact O-N 3.45Å; V226-A229 WeakPolarHBondContact O-CB 3.2Å; V226-A229 PolarHBondContact O-N 2.87Å; V226-A229 VanDerWaalsContact O-N 3.12Å; A229-I232 PolarHBondContact O-N 2.98Å; A229-S233 WeakPolarHBondContact O-CB 3.35Å; A229-S233 PolarHBondContact O-N 3.32Å
230E98.2Very high97.2Very high75 Ų7545.6 Ų45.635%0.3525%0.25SS..Hα-helixtrans-64.6-42.4175-177.6163.8-141.600111.7R30 V226 D227 L228 I232 S233 I234R30-E230 IonicContact NE-OE2 3.52Å; V226-E230 PolarHBondContact O-N 3.06Å; D227-E230 PolarHBondContact O-N 3.08Å; L228-E230 VanDerWaalsContact C-N 3.33Å; L228-E230 PolarHBondContact O-N 3.11Å; E230-I232 VanDerWaalsContact C-N 3.32Å; E230-I232 PolarHBondContact O-N 2.82Å; E230-S233 PolarHBondContact O-N 2.83Å; E230-S233 PolarHBondContact O-OG 3.37Å; E230-I234 PolarHBondContact O-N 3.2Å
231N98.3Very high97Very high89 Ų8943.5 Ų43.548%0.47624%0.241SC..Hα-helixtrans-62.9-38174.7-175.622.3000112.6D227 L228 I234 Q235D227-N231 PolarHBondContact O-N 3.28Å; D227-N231 VanDerWaalsContact O-N 3.08Å; L228-N231 PolarHBondContact O-N 2.97Å; N231-I234 WeakPolarHBondContact O-CG1 3.28Å; N231-Q235 WeakPolarHBondContact O-CG 3.37Å; N231-Q235 PolarHBondContact O-NE2 3.23Å
232I98.4Very high96.8Very high29 Ų2944.5 Ų44.515%0.14925%0.247CC..Hα-helixtrans-69.6-37.1175-65.4168.9000110.7V70 P130 L132 I152 L228 A229 E230 I234 Q235 V240V70-I232 HydrophobicContact CG2-CB 3.89Å; V70-I232 HydrophobicContact CG2-CG2 3.55Å; P130-I232 HydrophobicContact CG-CG2 4.11Å; L132-I232 HydrophobicContact CD1-CD1 4.42Å; L132-I232 HydrophobicContact CD2-CD1 4.1Å; I152-I232 HydrophobicContact CD1-CD1 4.14Å; L228-I232 HydrophobicContact CD1-CD1 4.11Å; L228-I232 HydrophobicContact CD1-CG1 4.29Å; L228-I232 HydrophobicContact CG-CD1 4Å; L228-I232 WeakPolarHBondContact O-CG1 3.37Å; L228-I232 PolarHBondContact O-N 3.41Å; A229-I232 PolarHBondContact O-N 2.98Å; E230-I232 VanDerWaalsContact C-N 3.32Å; E230-I232 PolarHBondContact O-N 2.82Å; I232-I234 VanDerWaalsContact C-N 3.26Å; I232-I234 PolarHBondContact O-N 3.45Å; I232-Q235 WeakPolarHBondContact O-CB 3.49Å; I232-Q235 PolarHBondContact O-N 3.22Å; I232-Q235 VanDerWaalsContact O-N 3.07Å; I232-V240 HydrophobicContact CG2-CG1 3.91Å; I232-V240 HydrophobicContact CG2-CG2 4.34Å
233S97.8Very high96.7Very high3 Ų347 Ų472%0.02126%0.26CS..Hα-helixtrans-67.3-25.4-173.483.30000113.6S31 R69 A229 E230S31-S233 PolarHBondContact O-OG 2.93Å; R69-S233 WeakPolarHBondContact CD-O 3.48Å; R69-S233 PolarHBondContact NH1-O 2.63Å; A229-S233 WeakPolarHBondContact O-CB 3.35Å; A229-S233 PolarHBondContact O-N 3.32Å; E230-S233 PolarHBondContact O-N 2.83Å; E230-S233 PolarHBondContact O-OG 3.37Å
234I96.8Very high96.7Very high121 Ų12145 Ų4562%0.62125%0.25SC*.THydrogen-bonded Turntrans-81.4-12.3175.264.5164.3000113.7E230 N231 I232E230-I234 PolarHBondContact O-N 3.2Å; N231-I234 WeakPolarHBondContact O-CG1 3.28Å; I232-I234 VanDerWaalsContact C-N 3.26Å; I232-I234 PolarHBondContact O-N 3.45Å
235Q95.6Very high96.6Very high94 Ų9447.9 Ų47.944%0.43926%0.262SS..SBendtrans-72.5169.1174.6-52.6-54.5-37.200111.1N231 I232 P237 V240N231-Q235 WeakPolarHBondContact O-CG 3.37Å; N231-Q235 PolarHBondContact O-NE2 3.23Å; I232-Q235 WeakPolarHBondContact O-CB 3.49Å; I232-Q235 PolarHBondContact O-N 3.22Å; I232-Q235 VanDerWaalsContact O-N 3.07Å; Q235-P237 VanDerWaalsContact O-CD 3.31Å; Q235-P237 WeakPolarHBondContact O-CD 3.39Å; Q235-P237 VanDerWaalsContact O-N 3.14Å; Q235-V240 HydrophobicContact CB-CG2 3.75Å
236S93.7Very high96.5Very high51 Ų5149.1 Ų49.136%0.35727%0.268SS..  trans-59.8117.1174.1171.20000110.2V238 A239 V240S236-V238 PolarHBondContact O-N 3.15Å; S236-A239 PolarHBondContact O-N 3.27Å; S236-A239 VanDerWaalsContact O-N 3.17Å; S236-A239 PolarHBondContact OG-N 3.21Å; S236-V240 WeakPolarHBondContact O-CG2 3.42Å; S236-V240 PolarHBondContact O-N 2.85Å
237P93.4Very high96.4Very high41 Ų4154.5 Ų54.527%0.26630%0.296SS..Hα-helixtrans-63.3-32.6-177.924.6-33.5000111.3R69 Q235 Q241R69-P237 HydrophobicContact CG-CB 4.29Å; Q235-P237 VanDerWaalsContact O-CD 3.31Å; Q235-P237 WeakPolarHBondContact O-CD 3.39Å; Q235-P237 VanDerWaalsContact O-N 3.14Å; P237-Q241 VanDerWaalsContact O-CB 3.27Å; P237-Q241 WeakPolarHBondContact O-CB 3.38Å; P237-Q241 WeakPolarHBondContact O-CG 3.45Å; P237-Q241 PolarHBondContact O-N 3.34Å
238V92.2Very high96.3Very high50 Ų5052.4 Ų52.430%0.30329%0.285SS..Hα-helixtrans-71-40.3177.9179.60000111.4S236 T242 I269 I272S236-V238 PolarHBondContact O-N 3.15Å; V238-T242 VanDerWaalsContact O-CB 3.22Å; V238-T242 WeakPolarHBondContact O-CB 3.37Å; V238-T242 PolarHBondContact O-N 2.92Å; V238-T242 PolarHBondContact O-OG1 3.08Å; V238-I269 HydrophobicContact CG1-CD1 3.81Å; V238-I269 HydrophobicContact CG1-CG1 4.16Å; V238-I269 HydrophobicContact CG1-CG2 4.05Å; V238-I272 HydrophobicContact CB-CD1 3.3Å; V238-I272 HydrophobicContact CG1-CD1 3.38Å; V238-I272 HydrophobicContact CG2-CD1 3.32Å
239A92.7Very high96.3Very high48 Ų4852.6 Ų52.640%0.39728%0.284SS..Hα-helixtrans-62.7-49.9175.500000110.8S236 Q241 T242 I243S236-A239 PolarHBondContact O-N 3.27Å; S236-A239 VanDerWaalsContact O-N 3.17Å; S236-A239 PolarHBondContact OG-N 3.21Å; A239-Q241 PolarHBondContact O-N 2.82Å; A239-T242 PolarHBondContact O-N 3.42Å; A239-I243 WeakPolarHBondContact O-CB 3.06Å; A239-I243 WeakPolarHBondContact O-CD1 3.43Å; A239-I243 WeakPolarHBondContact O-CG1 3.32Å; A239-I243 PolarHBondContact O-N 3.41Å
240V96.6Very high96.2Very high25 Ų2555.2 Ų55.215%0.15231%0.306CS..Hα-helixtrans-60.7-47.2-179.2172.30000112P130 I232 Q235 S236 I243 K244P130-V240 HydrophobicContact CG-CG1 3.25Å; I232-V240 HydrophobicContact CG2-CG1 3.91Å; I232-V240 HydrophobicContact CG2-CG2 4.34Å; Q235-V240 HydrophobicContact CB-CG2 3.75Å; S236-V240 WeakPolarHBondContact O-CG2 3.42Å; S236-V240 PolarHBondContact O-N 2.85Å; V240-I243 WeakPolarHBondContact O-CB 3.24Å; V240-I243 PolarHBondContact O-N 2.94Å; V240-K244 PolarHBondContact O-N 3.29Å
241Q96Very high96.1Very high47 Ų4755.3 Ų55.322%0.2230%0.303CS..Hα-helixtrans-66.3-39179-68179.935.200111.7P128 P237 A239 I243 K244 L245P128-Q241 HydrophobicContact CB-CB 4.14Å; P128-Q241 HydrophobicContact CB-CG 4.15Å; P128-Q241 WeakPolarHBondContact O-CA 3.47Å; P128-Q241 VanDerWaalsContact O-CG 3.31Å; P128-Q241 WeakPolarHBondContact O-CG 3.49Å; P237-Q241 VanDerWaalsContact O-CB 3.27Å; P237-Q241 WeakPolarHBondContact O-CB 3.38Å; P237-Q241 WeakPolarHBondContact O-CG 3.45Å; P237-Q241 PolarHBondContact O-N 3.34Å; A239-Q241 PolarHBondContact O-N 2.82Å; Q241-I243 VanDerWaalsContact C-N 3.35Å; Q241-K244 PolarHBondContact O-N 3.29Å; Q241-L245 VanDerWaalsContact O-CG 3.3Å; Q241-L245 WeakPolarHBondContact O-CG 3.38Å; Q241-L245 PolarHBondContact O-N 2.89Å
242T94.7Very high96Very high21 Ų2154.5 Ų54.513%0.12930%0.299CS..Hα-helixtrans-63.1-42.5174.6-570000111V238 A239 K244 L245 Q246 M262 C265V238-T242 VanDerWaalsContact O-CB 3.22Å; V238-T242 WeakPolarHBondContact O-CB 3.37Å; V238-T242 PolarHBondContact O-N 2.92Å; V238-T242 PolarHBondContact O-OG1 3.08Å; A239-T242 PolarHBondContact O-N 3.42Å; T242-K244 PolarHBondContact O-N 2.82Å; T242-L245 PolarHBondContact O-N 2.81Å; T242-Q246 HydrophobicContact CG2-CG 4.11Å; T242-Q246 WeakPolarHBondContact O-CB 3.46Å; T242-Q246 VanDerWaalsContact O-CG 3.27Å; T242-Q246 WeakPolarHBondContact O-CG 3.41Å; T242-Q246 PolarHBondContact O-N 3.39Å; T242-M262 HydrophobicContact CG2-SD 4.33Å; T242-C265 HydrophobicContact CG2-CB 4.39Å
243I96.6Very high96Very high100 Ų10059.2 Ų59.251%0.51332%0.315SS..Hα-helixtrans-57.5-50.1175.6-71.6162000110.2A239 V240 Q241 L245 Q246 L247A239-I243 WeakPolarHBondContact O-CB 3.06Å; A239-I243 WeakPolarHBondContact O-CD1 3.43Å; A239-I243 WeakPolarHBondContact O-CG1 3.32Å; A239-I243 PolarHBondContact O-N 3.41Å; V240-I243 WeakPolarHBondContact O-CB 3.24Å; V240-I243 PolarHBondContact O-N 2.94Å; Q241-I243 VanDerWaalsContact C-N 3.35Å; I243-L245 PolarHBondContact O-N 3.18Å; I243-Q246 PolarHBondContact O-N 3.03Å; I243-L247 HydrophobicContact CG2-CD1 3.75Å; I243-L247 HydrophobicContact CG2-CG 4.21Å; I243-L247 WeakPolarHBondContact O-CB 3.28Å; I243-L247 VanDerWaalsContact O-CG 3.3Å; I243-L247 WeakPolarHBondContact O-CG 3.47Å; I243-L247 PolarHBondContact O-N 2.75Å
244K97.8Very high96Very high12 Ų1262.9 Ų62.95%0.05234%0.339CS..Hα-helixtrans-57.7-50.1177.8176.3169.2176169.80111.8I124 E125 C127 K129 D151 V240 Q241 T242 Q246 L247 N248I124-K244 PolarHBondContact O-NZ 2.97Å; E125-K244 WeakPolarHBondContact O-CE 3.3Å; C127-K244 WeakPolarHBondContact O-CD 3.23Å; C127-K244 WeakPolarHBondContact O-CE 3.29Å; C127-K244 PolarHBondContact O-NZ 2.97Å; K129-K244 PolarHBondContact O-NZ 2.95Å; D151-K244 WeakPolarHBondContact OD1-CE 3.45Å; D151-K244 IonicContact OD1-NZ 3.46Å; D151-K244 PolarHBondContact OD1-NZ 3.34Å; D151-K244 WeakPolarHBondContact OD2-CE 3.31Å; D151-K244 IonicContact OD2-NZ 2.93Å; D151-K244 PolarHBondContact OD2-NZ 3Å; V240-K244 PolarHBondContact O-N 3.29Å; Q241-K244 PolarHBondContact O-N 3.29Å; T242-K244 PolarHBondContact O-N 2.82Å; K244-Q246 VanDerWaalsContact C-N 3.31Å; K244-Q246 PolarHBondContact O-N 3.25Å; K244-L247 PolarHBondContact O-N 3.4Å; K244-N248 PolarHBondContact O-N 3.43Å
245L96Very high96.1Very high83 Ų8362.5 Ų62.544%0.43534%0.342SS..Hα-helixtrans-59.1-42.3-179.9-70171.6000112.1Q241 T242 I243 H249Q241-L245 VanDerWaalsContact O-CG 3.3Å; Q241-L245 WeakPolarHBondContact O-CG 3.38Å; Q241-L245 PolarHBondContact O-N 2.89Å; T242-L245 PolarHBondContact O-N 2.81Å; I243-L245 PolarHBondContact O-N 3.18Å; L245-H249 WeakPolarHBondContact O-CB 3.48Å; L245-H249 PolarHBondContact O-N 2.84Å
246Q96.3Very high96.2Very high26 Ų2663.1 Ų63.112%0.12135%0.349CS..Hα-helixtrans-75.1-34.5-179-69.5-64-32.500112.9T242 I243 K244 H249 A250 S261 M262 C265T242-Q246 HydrophobicContact CG2-CG 4.11Å; T242-Q246 WeakPolarHBondContact O-CB 3.46Å; T242-Q246 VanDerWaalsContact O-CG 3.27Å; T242-Q246 WeakPolarHBondContact O-CG 3.41Å; T242-Q246 PolarHBondContact O-N 3.39Å; I243-Q246 PolarHBondContact O-N 3.03Å; K244-Q246 VanDerWaalsContact C-N 3.31Å; K244-Q246 PolarHBondContact O-N 3.25Å; Q246-H249 PolarHBondContact O-N 3.16Å; Q246-A250 VanDerWaalsContact O-CB 3.25Å; Q246-A250 WeakPolarHBondContact O-CB 3.21Å; Q246-A250 PolarHBondContact O-N 3.27Å; Q246-S261 PolarHBondContact NE2-OG 3.21Å; Q246-M262 HydrophobicContact CG-SD 3.76Å; Q246-C265 PolarHBondContact NE2-SG 3.42Å
247L97.6Very high96.3Very high114 Ų11463.7 Ų63.760%0.59735%0.35SS*.Hα-helixtrans-64.7-42.2172.1-72.4176.7000111.2I243 K244 H249 A250 R251I243-L247 HydrophobicContact CG2-CD1 3.75Å; I243-L247 HydrophobicContact CG2-CG 4.21Å; I243-L247 WeakPolarHBondContact O-CB 3.28Å; I243-L247 VanDerWaalsContact O-CG 3.3Å; I243-L247 WeakPolarHBondContact O-CG 3.47Å; I243-L247 PolarHBondContact O-N 2.75Å; K244-L247 PolarHBondContact O-N 3.4Å; L247-H249 VanDerWaalsContact C-N 3.33Å; L247-H249 PolarHBondContact O-N 3.49Å; L247-A250 PolarHBondContact O-N 3.13Å; L247-R251 WeakPolarHBondContact O-CB 3.42Å; L247-R251 PolarHBondContact O-N 3.38Å
248N96.9Very high96.5Very high33 Ų3362.2 Ų62.218%0.17634%0.34CS..Hα-helixtrans-63.3-40.6174.9-72.5-7.7000111.6E125 K244 R251E125-N248 PolarHBondContact O-ND2 3.1Å; K244-N248 PolarHBondContact O-N 3.43Å; N248-R251 WeakPolarHBondContact O-CB 3.44Å
249H96.8Very high96.7Very high42 Ų4264.9 Ų64.919%0.19435%0.353CS..Hα-helixtrans-65.1-49.8175-170.1-71.5000111.7L245 Q246 L247 R251 D252 Y253 S258L245-H249 WeakPolarHBondContact O-CB 3.48Å; L245-H249 PolarHBondContact O-N 2.84Å; Q246-H249 PolarHBondContact O-N 3.16Å; L247-H249 VanDerWaalsContact C-N 3.33Å; L247-H249 PolarHBondContact O-N 3.49Å; H249-R251 PolarHBondContact O-N 3.43Å; H249-D252 PolarHBondContact O-N 3.01Å; H249-Y253 AromaticContact CD2-CD2 3.8Å; H249-Y253 AromaticContact CD2-CE2 3.98Å; H249-Y253 AromaticContact CE1-CD2 3.5Å; H249-Y253 AromaticContact CE1-CG 3.61Å; H249-Y253 AromaticContact CG-CD2 3.79Å; H249-Y253 AromaticContact ND1-CD2 3.6Å; H249-Y253 AromaticContact ND1-CG 3.97Å; H249-Y253 AromaticContact NE2-CD2 3.67Å; H249-Y253 AromaticContact NE2-CE2 3.97Å; H249-Y253 VanDerWaalsContact O-CD2 3.32Å; H249-Y253 WeakPolarHBondContact O-CD2 3.23Å; H249-Y253 PolarHBondContact O-N 3.35Å; H249-S258 PolarHBondContact ND1-OG 3.16Å; H249-S258 VanDerWaalsContact ND1-OG 3.07Å
250A97.3Very high96.9Very high55 Ų5568.2 Ų68.246%0.45536%0.36SS..Hα-helixtrans-61-27.8-179.300000113.2Q246 L247 D252 S258Q246-A250 VanDerWaalsContact O-CB 3.25Å; Q246-A250 WeakPolarHBondContact O-CB 3.21Å; Q246-A250 PolarHBondContact O-N 3.27Å; L247-A250 PolarHBondContact O-N 3.13Å; A250-D252 VanDerWaalsContact C-N 3.28Å; A250-D252 PolarHBondContact O-N 3.46Å; A250-S258 WeakPolarHBondContact CA-OG 3.32Å
251R96.8Very high96.7Very high78 Ų7868.1 Ų68.129%0.29436%0.36SS..Hα-helixtrans-65-31.4173.9-173.5-165.968.2-170.8-5.9112.9E125 K182 L247 N248 H249E125-R251 VanDerWaalsContact CD-NH1 3.28Å; E125-R251 IonicContact OE1-CZ 3.74Å; E125-R251 IonicContact OE1-NH1 2.73Å; E125-R251 PolarHBondContact OE1-NH1 2.9Å; E125-R251 IonicContact OE1-NH2 3.81Å; E125-R251 PolarHBondContact OE1-NH2 2.98Å; E125-R251 IonicContact OE2-CZ 2.63Å; E125-R251 IonicContact OE2-NH1 3.61Å; E125-R251 PolarHBondContact OE2-NH1 2.64Å; E125-R251 IonicContact OE2-NH2 3.54Å; K182-R251 HydrophobicContact CB-CG 4.08Å; K182-R251 HydrophobicContact CD-CG 3.82Å; K182-R251 HydrophobicContact CG-CG 4.38Å; L247-R251 WeakPolarHBondContact O-CB 3.42Å; L247-R251 PolarHBondContact O-N 3.38Å; N248-R251 WeakPolarHBondContact O-CB 3.44Å; H249-R251 PolarHBondContact O-N 3.43Å
252D96.7Very high96.6Very high71 Ų7169.6 Ų69.638%0.3837%0.368SS..Hα-helixtrans-113.3-9.8-166.3-63.4-21.4000113.9K182 H249 A250K182-D252 IonicContact NZ-OD1 2.64Å; K182-D252 PolarHBondContact NZ-OD1 2.91Å; H249-D252 PolarHBondContact O-N 3.01Å; A250-D252 VanDerWaalsContact C-N 3.28Å; A250-D252 PolarHBondContact O-N 3.46Å
253Y97.3Very high96.3Very high128 Ų12872.3 Ų72.350%0.50238%0.384SS..SBendtrans-129.4152.8-177.3-65.7-86.3000112.3H249 V257 S258H249-Y253 AromaticContact CD2-CD2 3.8Å; H249-Y253 AromaticContact CD2-CE2 3.98Å; H249-Y253 AromaticContact CE1-CD2 3.5Å; H249-Y253 AromaticContact CE1-CG 3.61Å; H249-Y253 AromaticContact CG-CD2 3.79Å; H249-Y253 AromaticContact ND1-CD2 3.6Å; H249-Y253 AromaticContact ND1-CG 3.97Å; H249-Y253 AromaticContact NE2-CD2 3.67Å; H249-Y253 AromaticContact NE2-CE2 3.97Å; H249-Y253 VanDerWaalsContact O-CD2 3.32Å; H249-Y253 WeakPolarHBondContact O-CD2 3.23Å; H249-Y253 PolarHBondContact O-N 3.35Å; Y253-V257 HydrophobicContact CD1-CG1 4.31Å; Y253-S258 PolarHBondContact O-OG 3.03Å
254P98.1Very high95.8Very high80 Ų8075.9 Ų75.952%0.51939%0.391SS..  trans-52.8156.2170.9-2736.4000113.2D256 V257 S258P254-D256 VanDerWaalsContact CB-OD1 3.27Å; P254-D256 WeakPolarHBondContact CB-OD1 3.46Å; P254-D256 PolarHBondContact O-N 3.39Å; P254-V257 HydrophobicContact CB-CG2 4.32Å; P254-V257 HydrophobicContact CG-CG2 4.49Å; P254-V257 PolarHBondContact O-N 2.94Å; P254-S258 WeakPolarHBondContact O-CB 3.32Å; P254-S258 PolarHBondContact O-N 3.38Å; P254-S258 PolarHBondContact O-OG 3.41Å
255V98.2Very high95.2Very high113 Ų11377.1 Ų77.169%0.68540%0.401SS*.Hα-helixtrans-61.3-44.3-173.5175.20000111.9S258 L259V255-S258 PolarHBondContact O-N 3.3Å; V255-L259 HydrophobicContact CG1-CD1 4.02Å; V255-L259 HydrophobicContact CG1-CG 4.34Å; V255-L259 VanDerWaalsContact O-CG 3.31Å; V255-L259 WeakPolarHBondContact O-CG 3.47Å; V255-L259 PolarHBondContact O-N 2.67Å
256D97.7Very high94.3Very high108 Ų10875.7 Ų75.758%0.57840%0.396SS*.Hα-helixtrans-62.6-44.2179.663.1-48.5000112.1P254 S258 L259 Q260P254-D256 VanDerWaalsContact CB-OD1 3.27Å; P254-D256 WeakPolarHBondContact CB-OD1 3.46Å; P254-D256 PolarHBondContact O-N 3.39Å; D256-S258 VanDerWaalsContact C-N 3.33Å; D256-S258 PolarHBondContact O-N 2.76Å; D256-L259 PolarHBondContact O-N 3Å; D256-Q260 WeakPolarHBondContact O-CG 3.46Å; D256-Q260 PolarHBondContact O-N 3.21Å; D256-Q260 VanDerWaalsContact O-N 3.16Å
257V97.3Very high93Very high62 Ų6280.2 Ų80.238%0.37642%0.42SS..Hα-helixtrans-63.1-41.3175.1-177.60000111Y253 P254 Q260 S261Y253-V257 HydrophobicContact CD1-CG1 4.31Å; P254-V257 HydrophobicContact CB-CG2 4.32Å; P254-V257 HydrophobicContact CG-CG2 4.49Å; P254-V257 PolarHBondContact O-N 2.94Å; V257-Q260 PolarHBondContact O-N 2.8Å; V257-S261 PolarHBondContact O-N 3.18Å
258S97.2Very high91.6Very high10 Ų1083.4 Ų83.47%0.0743%0.43CS..Hα-helixtrans-67.8-37.7178.9-620000112.8H249 A250 Y253 P254 V255 D256 Q260 S261 M262H249-S258 PolarHBondContact ND1-OG 3.16Å; H249-S258 VanDerWaalsContact ND1-OG 3.07Å; A250-S258 WeakPolarHBondContact CA-OG 3.32Å; Y253-S258 PolarHBondContact O-OG 3.03Å; P254-S258 WeakPolarHBondContact O-CB 3.32Å; P254-S258 PolarHBondContact O-N 3.38Å; P254-S258 PolarHBondContact O-OG 3.41Å; V255-S258 PolarHBondContact O-N 3.3Å; D256-S258 VanDerWaalsContact C-N 3.33Å; D256-S258 PolarHBondContact O-N 2.76Å; S258-Q260 VanDerWaalsContact C-N 3.35Å; S258-Q260 PolarHBondContact O-N 2.9Å; S258-S261 WeakPolarHBondContact O-CB 3.21Å; S258-S261 PolarHBondContact O-N 3.09Å; S258-M262 PolarHBondContact O-N 2.69Å; S258-M262 VanDerWaalsContact O-N 3.07Å
259L96.9Very high90.2Very high107 Ų10783.5 Ų83.556%0.5643%0.43SS*.Hα-helixtrans-63.5-39.7173.8-71.8171.7000111.9V255 D256 M262 V263V255-L259 HydrophobicContact CG1-CD1 4.02Å; V255-L259 HydrophobicContact CG1-CG 4.34Å; V255-L259 VanDerWaalsContact O-CG 3.31Å; V255-L259 WeakPolarHBondContact O-CG 3.47Å; V255-L259 PolarHBondContact O-N 2.67Å; D256-L259 PolarHBondContact O-N 3Å; L259-M262 PolarHBondContact O-N 3.48Å; L259-V263 PolarHBondContact O-N 3.07Å
260Q95.2Very high88.4Confident117 Ų11785.8 Ų85.855%0.54745%0.447SS..Hα-helixtrans-65.8-37.1174.9-67.5-60.8-27.200112.5D256 V257 S258 M262 V263 R264D256-Q260 WeakPolarHBondContact O-CG 3.46Å; D256-Q260 PolarHBondContact O-N 3.21Å; D256-Q260 VanDerWaalsContact O-N 3.16Å; V257-Q260 PolarHBondContact O-N 2.8Å; S258-Q260 VanDerWaalsContact C-N 3.35Å; S258-Q260 PolarHBondContact O-N 2.9Å; Q260-M262 VanDerWaalsContact C-N 3.32Å; Q260-M262 PolarHBondContact O-N 2.88Å; Q260-V263 PolarHBondContact O-N 3.39Å; Q260-R264 WeakPolarHBondContact O-CG 3.43Å; Q260-R264 PolarHBondContact O-N 3.1Å
261S93.4Very high86.6Confident24 Ų2488.6 Ų88.617%0.16846%0.458CS..Hα-helixtrans-58.8-43.7172.4-173.40000111.6Q246 V257 S258 V263 R264 C265Q246-S261 PolarHBondContact NE2-OG 3.21Å; V257-S261 PolarHBondContact O-N 3.18Å; S258-S261 WeakPolarHBondContact O-CB 3.21Å; S258-S261 PolarHBondContact O-N 3.09Å; S261-V263 PolarHBondContact O-N 2.62Å; S261-R264 WeakPolarHBondContact O-CB 3.32Å; S261-R264 PolarHBondContact O-N 3.26Å; S261-C265 PolarHBondContact O-N 2.91Å; S261-C265 VanDerWaalsContact O-N 3.1Å
262M93Very high84.9Confident78 Ų7887.5 Ų87.538%0.38446%0.458SS..Hα-helixtrans-62.4-41.8177.8-177.356.6-177.700112.8T242 Q246 S258 L259 Q260 R264 C265 V266T242-M262 HydrophobicContact CG2-SD 4.33Å; Q246-M262 HydrophobicContact CG-SD 3.76Å; S258-M262 PolarHBondContact O-N 2.69Å; S258-M262 VanDerWaalsContact O-N 3.07Å; L259-M262 PolarHBondContact O-N 3.48Å; Q260-M262 VanDerWaalsContact C-N 3.32Å; Q260-M262 PolarHBondContact O-N 2.88Å; M262-R264 VanDerWaalsContact C-N 3.3Å; M262-R264 PolarHBondContact O-N 3.05Å; M262-C265 PolarHBondContact O-N 3.31Å; M262-V266 HydrophobicContact CE-CG2 3.69Å; M262-V266 WeakPolarHBondContact O-CG2 3.41Å; M262-V266 PolarHBondContact O-N 3.33Å; M262-V266 VanDerWaalsContact O-N 3.08Å; M262-V266 HydrophobicContact SD-CG2 4.31Å
263V89.7Confident83.5Confident77 Ų7788.9 Ų88.947%0.46746%0.461SS..Hα-helixtrans-57.7-45175.4174.10000110.8L259 Q260 S261 C265 V266 L267L259-V263 PolarHBondContact O-N 3.07Å; Q260-V263 PolarHBondContact O-N 3.39Å; S261-V263 PolarHBondContact O-N 2.62Å; V263-C265 PolarHBondContact O-N 2.91Å; V263-V266 PolarHBondContact O-N 3.23Å; V263-L267 HydrophobicContact CG1-CD1 4.22Å; V263-L267 WeakPolarHBondContact O-CG 3.48Å; V263-L267 PolarHBondContact O-N 2.85Å; V263-L267 VanDerWaalsContact O-N 3.17Å
264R86.2Confident82Confident175 Ų17589.9 Ų89.966%0.6647%0.468SS*.Hα-helixtrans-60.7-44.3178-66.4175.7-173.1-176.32.2111.6Q260 S261 M262 V266 L267 F268Q260-R264 WeakPolarHBondContact O-CG 3.43Å; Q260-R264 PolarHBondContact O-N 3.1Å; S261-R264 WeakPolarHBondContact O-CB 3.32Å; S261-R264 PolarHBondContact O-N 3.26Å; M262-R264 VanDerWaalsContact C-N 3.3Å; M262-R264 PolarHBondContact O-N 3.05Å; R264-V266 PolarHBondContact O-N 3.32Å; R264-L267 PolarHBondContact O-N 3.16Å; R264-F268 WeakPolarHBondContact O-CD2 3.49Å
265C84.4Confident80.6Confident39 Ų3992.7 Ų92.726%0.26447%0.472SS..Hα-helixtrans-59.9-44.1176.9-77.50000112.7T242 Q246 S261 M262 V263 L267 F268 I269T242-C265 HydrophobicContact CG2-CB 4.39Å; Q246-C265 PolarHBondContact NE2-SG 3.42Å; S261-C265 PolarHBondContact O-N 2.91Å; S261-C265 VanDerWaalsContact O-N 3.1Å; M262-C265 PolarHBondContact O-N 3.31Å; V263-C265 PolarHBondContact O-N 2.91Å; C265-L267 PolarHBondContact O-N 3.19Å; C265-F268 PolarHBondContact O-N 3.3Å; C265-I269 WeakPolarHBondContact O-CD1 3.38Å; C265-I269 WeakPolarHBondContact O-CG1 3.4Å
266V77.4Confident79.3Confident52 Ų5289.6 Ų89.632%0.31546%0.458SS..Hα-helixtrans-65.6-37-178170.30000112.4M262 V263 R264 F268 I269 F273M262-V266 HydrophobicContact CE-CG2 3.69Å; M262-V266 WeakPolarHBondContact O-CG2 3.41Å; M262-V266 PolarHBondContact O-N 3.33Å; M262-V266 VanDerWaalsContact O-N 3.08Å; M262-V266 HydrophobicContact SD-CG2 4.31Å; V263-V266 PolarHBondContact O-N 3.23Å; R264-V266 PolarHBondContact O-N 3.32Å; V266-F268 PolarHBondContact O-N 3.43Å; V266-I269 PolarHBondContact O-N 2.72Å; V266-F273 HydrophobicContact CG1-CE2 3.89Å; V266-F273 HydrophobicContact CG1-CZ 4.25Å
267L68.9Low78.3Confident121 Ų12190.8 Ų90.863%0.63446%0.459SS*.Hα-helixtrans-59.6-28.5178.9-71.5170.9000112.9V263 R264 C265V263-L267 HydrophobicContact CG1-CD1 4.22Å; V263-L267 WeakPolarHBondContact O-CG 3.48Å; V263-L267 PolarHBondContact O-N 2.85Å; V263-L267 VanDerWaalsContact O-N 3.17Å; R264-L267 PolarHBondContact O-N 3.16Å; C265-L267 PolarHBondContact O-N 3.19Å
268F68.5Low77.1Confident182 Ų18296.6 Ų96.680%0.79847%0.474SS*.THydrogen-bonded Turntrans-83.8-11.4176-69.6-74.2000114.1R264 C265 V266R264-F268 WeakPolarHBondContact O-CD2 3.49Å; C265-F268 PolarHBondContact O-N 3.3Å; V266-F268 PolarHBondContact O-N 3.43Å
269I67.6Low76Confident34 Ų34100.4 Ų100.417%0.17449%0.493CS..  trans-105.513.7-168.8-63.4167.8000112.9V238 C265 V266 T271 I272 F273V238-I269 HydrophobicContact CG1-CD1 3.81Å; V238-I269 HydrophobicContact CG1-CG1 4.16Å; V238-I269 HydrophobicContact CG1-CG2 4.05Å; C265-I269 WeakPolarHBondContact O-CD1 3.38Å; C265-I269 WeakPolarHBondContact O-CG1 3.4Å; V266-I269 PolarHBondContact O-N 2.72Å; I269-T271 PolarHBondContact O-N 3.06Å; I269-I272 HydrophobicContact CG2-CB 3.71Å; I269-I272 HydrophobicContact CG2-CD1 3.66Å; I269-I272 HydrophobicContact CG2-CG1 3.85Å; I269-I272 PolarHBondContact O-N 3.42Å; I269-F273 HydrophobicContact CG2-CE2 4.46Å
270T59.2Low75Confident91 Ų91100 Ų10056%0.55849%0.491SS*.Hα-helixtrans-52.1-25.3-17352.30000115.8
271T59Low74.2Confident113 Ų11397.4 Ų97.469%0.69349%0.489SS*.Hα-helixtrans-70.4-29.8176.6-46.50000113.7I269I269-T271 PolarHBondContact O-N 3.06Å
272I61.8Low73.6Confident56 Ų56102.2 Ų102.229%0.28751%0.512SS..Hα-helixtrans-81.9-36.9-170.3-60.5-175000112.3V238 I269 K274 F275 A276V238-I272 HydrophobicContact CB-CD1 3.3Å; V238-I272 HydrophobicContact CG1-CD1 3.38Å; V238-I272 HydrophobicContact CG2-CD1 3.32Å; I269-I272 HydrophobicContact CG2-CB 3.71Å; I269-I272 HydrophobicContact CG2-CD1 3.66Å; I269-I272 HydrophobicContact CG2-CG1 3.85Å; I269-I272 PolarHBondContact O-N 3.42Å; I272-K274 PolarHBondContact O-N 3.43Å; I272-F275 PolarHBondContact O-N 3.16Å; I272-A276 PolarHBondContact O-N 3.4Å; I272-A276 VanDerWaalsContact O-N 3.11Å
273F65.5Low72.6Confident99 Ų99109 Ų10943%0.43453%0.534SS..Hα-helixtrans-54.7-39.8175.2-76.5-76.8000111V266 I269 F275 A276 F277V266-F273 HydrophobicContact CG1-CE2 3.89Å; V266-F273 HydrophobicContact CG1-CZ 4.25Å; I269-F273 HydrophobicContact CG2-CE2 4.46Å; F273-F275 VanDerWaalsContact C-N 3.29Å; F273-F275 PolarHBondContact O-N 3.19Å; F273-A276 PolarHBondContact O-N 3.3Å; F273-F277 HydrophobicContact CB-CD2 4.07Å; F273-F277 HydrophobicContact CB-CE2 3.95Å; F273-F277 AromaticContact CD1-CE2 4Å; F273-F277 HydrophobicContact CD1-CE2 4Å; F273-F277 HydrophobicContact CG-CE2 4.43Å; F273-F277 WeakPolarHBondContact O-CB 3.04Å; F273-F277 WeakPolarHBondContact O-CD2 3.34Å; F273-F277 PolarHBondContact O-N 2.91Å
274K67.4Low71.8Confident150 Ų150111.9 Ų111.965%0.65255%0.547SS*.Hα-helixtrans-57.7-39.5176.3-66.8-178178.8177.50112.8I272 R278I272-K274 PolarHBondContact O-N 3.43Å; K274-R278 WeakPolarHBondContact O-CB 2.89Å; K274-R278 VanDerWaalsContact O-CG 3.3Å; K274-R278 WeakPolarHBondContact O-CG 3.15Å; K274-R278 PolarHBondContact O-N 3.32Å; K274-R278 VanDerWaalsContact O-N 3.1Å
275F68.5Low71Confident138 Ų138110 Ų11061%0.60557%0.569SS**Hα-helixtrans-71.7-44.7179.1-170.7-100000111.9I272 F273 R278 L279I272-F275 PolarHBondContact O-N 3.16Å; F273-F275 VanDerWaalsContact C-N 3.29Å; F273-F275 PolarHBondContact O-N 3.19Å; F275-R278 PolarHBondContact O-N 3.3Å; F275-L279 HydrophobicContact CD1-CD1 3.87Å; F275-L279 HydrophobicContact CE1-CD1 3.39Å; F275-L279 HydrophobicContact CE1-CG 4.14Å; F275-L279 HydrophobicContact CZ-CD1 4.03Å; F275-L279 HydrophobicContact CZ-CG 4.4Å; F275-L279 PolarHBondContact O-N 2.98Å
276A71.3Confident70.3Confident48 Ų48113.6 Ų113.640%0.39758%0.584SS.*Hα-helixtrans-62-45.1177.400000112I272 F273 R278 L279 L280I272-A276 PolarHBondContact O-N 3.4Å; I272-A276 VanDerWaalsContact O-N 3.11Å; F273-A276 PolarHBondContact O-N 3.3Å; A276-R278 VanDerWaalsContact C-N 3.35Å; A276-R278 PolarHBondContact O-N 3.34Å; A276-L279 PolarHBondContact O-N 3.34Å; A276-L280 PolarHBondContact O-N 2.87Å; A276-L280 VanDerWaalsContact O-N 3.08Å
277F75.3Confident70Confident134 Ų134116.8 Ų116.859%0.58860%0.598SS**Hα-helixtrans-64.3-37.2176.6-75.4-60.7000112.4F273 L280 A281F273-F277 HydrophobicContact CB-CD2 4.07Å; F273-F277 HydrophobicContact CB-CE2 3.95Å; F273-F277 AromaticContact CD1-CE2 4Å; F273-F277 HydrophobicContact CD1-CE2 4Å; F273-F277 HydrophobicContact CG-CE2 4.43Å; F273-F277 WeakPolarHBondContact O-CB 3.04Å; F273-F277 WeakPolarHBondContact O-CD2 3.34Å; F273-F277 PolarHBondContact O-N 2.91Å; F277-L280 PolarHBondContact O-N 3.07Å; F277-A281 WeakPolarHBondContact O-CB 3.46Å; F277-A281 PolarHBondContact O-N 3.22Å
278R73.6Confident70Confident184 Ų184116.6 Ų116.669%0.69460%0.596SS**Hα-helixtrans-63-43.7173.9-82.2179.8177.8-172.5-0.7112.5K274 F275 A276 L280 A281 L282K274-R278 WeakPolarHBondContact O-CB 2.89Å; K274-R278 VanDerWaalsContact O-CG 3.3Å; K274-R278 WeakPolarHBondContact O-CG 3.15Å; K274-R278 PolarHBondContact O-N 3.32Å; K274-R278 VanDerWaalsContact O-N 3.1Å; F275-R278 PolarHBondContact O-N 3.3Å; A276-R278 VanDerWaalsContact C-N 3.35Å; A276-R278 PolarHBondContact O-N 3.34Å; R278-L280 VanDerWaalsContact C-N 3.34Å; R278-L280 PolarHBondContact O-N 3.21Å; R278-A281 PolarHBondContact O-N 3.23Å; R278-L282 WeakPolarHBondContact O-CG 3.4Å; R278-L282 PolarHBondContact O-N 3.11Å
279L73.8Confident70.1Confident90 Ų90112.8 Ų112.847%0.47158%0.584SS.*Hα-helixtrans-63.9-38.8177.2-79.5172.8000112.5F275 A276 L282 R283F275-L279 HydrophobicContact CD1-CD1 3.87Å; F275-L279 HydrophobicContact CE1-CD1 3.39Å; F275-L279 HydrophobicContact CE1-CG 4.14Å; F275-L279 HydrophobicContact CZ-CD1 4.03Å; F275-L279 HydrophobicContact CZ-CG 4.4Å; F275-L279 PolarHBondContact O-N 2.98Å; A276-L279 PolarHBondContact O-N 3.34Å; L279-L282 PolarHBondContact O-N 2.96Å; L279-R283 PolarHBondContact O-N 2.88Å
280L75.7Confident70.3Confident98 Ų98117.7 Ų117.751%0.51361%0.61SS.*Hα-helixtrans-64.9-43.3174.3-79163.7000111.7A276 F277 R278 L282 R283 N284A276-L280 PolarHBondContact O-N 2.87Å; A276-L280 VanDerWaalsContact O-N 3.08Å; F277-L280 PolarHBondContact O-N 3.07Å; R278-L280 VanDerWaalsContact C-N 3.34Å; R278-L280 PolarHBondContact O-N 3.21Å; L280-L282 VanDerWaalsContact C-N 3.31Å; L280-L282 PolarHBondContact O-N 3.22Å; L280-R283 PolarHBondContact O-N 2.92Å; L280-N284 PolarHBondContact O-N 2.88Å; L280-N284 PolarHBondContact O-ND2 3.16Å
281A78.1Confident71Confident62 Ų62119.5 Ų119.551%0.51261%0.613SS.*Hα-helixtrans-61-40.3176.100000111.9F277 R278 N284 A285F277-A281 WeakPolarHBondContact O-CB 3.46Å; F277-A281 PolarHBondContact O-N 3.22Å; R278-A281 PolarHBondContact O-N 3.23Å; A281-N284 PolarHBondContact O-N 3.41Å; A281-A285 PolarHBondContact O-N 3.06Å
282L80.2Confident71.9Confident126 Ų126119.9 Ų119.966%0.6661%0.608SS**Hα-helixtrans-71.9-28.2177.8-71.6170000113.9R278 L279 L280 N284R278-L282 WeakPolarHBondContact O-CG 3.4Å; R278-L282 PolarHBondContact O-N 3.11Å; L279-L282 PolarHBondContact O-N 2.96Å; L280-L282 VanDerWaalsContact C-N 3.31Å; L280-L282 PolarHBondContact O-N 3.22Å; L282-N284 VanDerWaalsContact C-N 3.31Å
283R73.3Confident72.6Confident220 Ų220124.8 Ų124.883%0.8363%0.632SS**Hα-helixtrans-75.6-22174.9-95.3-175.2167.8-177.1-3113.5L279 L280L279-R283 PolarHBondContact O-N 2.88Å; L280-R283 PolarHBondContact O-N 2.92Å
284N72.1Confident73.2Confident138 Ų138127 Ų12774%0.73865%0.649SS**  trans-101.14.2-178-66.8-17.5000112.8L280 A281 L282L280-N284 PolarHBondContact O-N 2.88Å; L280-N284 PolarHBondContact O-ND2 3.16Å; A281-N284 PolarHBondContact O-N 3.41Å; L282-N284 VanDerWaalsContact C-N 3.31Å
285A69.5Low73.8Confident136 Ų136124.9 Ų124.9100%1.12465%0.648SS**  trans-105.80172.700000109.5A281A281-A285 PolarHBondContact O-N 3.06Å

Retrieved 285 of 285 residues in 60.6 ms (Link to these results)

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