A0A077ZDC3_TRITR Loading...

T box transcription factor TBX10

AlphaFold DB , UniProt , Accession A0A077ZDC3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 213 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39Very low44.6Very low227 Ų227142.1 Ų142.1100%1.11882%0.824SS**  081.60-83.6177173.400104.4
2D42.2Very low46.3Very low151 Ų151140 Ų14081%0.80782%0.819SS**  trans-126.986.6178.6-62.1-56.1000105.6E4D2-E4 PolarHBondContact O-N 3.22Å
3D39.3Very low48.5Very low167 Ų167138 Ų13889%0.89379%0.794SS**  trans-75.369.6172.5-72.6-42000108.9N5D3-N5 PolarHBondContact O-N 3.07Å; D3-N5 VanDerWaalsContact O-N 3.09Å
4E39.8Very low51.1Low186 Ų186137.1 Ų137.187%0.86978%0.784SS**  trans-79.773.2164.7-83.3-162.9151.900109.4D2D2-E4 PolarHBondContact O-N 3.22Å
5N41.4Very low53.4Low157 Ų157130.8 Ų130.884%0.8475%0.749SS**  trans-125.152.3164.8-135.721.5000109.5D3D3-N5 PolarHBondContact O-N 3.07Å; D3-N5 VanDerWaalsContact O-N 3.09Å
6G36.7Very low55.6Low60 Ų60123.8 Ų123.862%0.61971%0.707SS**  trans-60.3134.3163.500000108.6A8G6-A8 PolarHBondContact O-N 3.04Å
7P39Very low57.5Low120 Ų120120.2 Ų120.278%0.77969%0.69SS**  trans-57.2122.5-179.623.3-30.7000107.9V9P7-V9 PolarHBondContact O-N 3.09Å
8A45.7Very low59.2Low96 Ų96118.6 Ų118.679%0.79367%0.674SS**  trans-48111.5173.700000107.5G6 G10G6-A8 PolarHBondContact O-N 3.04Å; A8-G10 PolarHBondContact O-N 3.39Å
9V52.6Low60.9Low145 Ų145112.4 Ų112.488%0.87964%0.638SS**  trans-62.690.6173.8176.20000105P7 K11P7-V9 PolarHBondContact O-N 3.09Å; V9-K11 PolarHBondContact O-N 2.89Å
10G57.5Low62.5Low61 Ų61111.5 Ų111.563%0.62963%0.628SS**PPolyproline II helixtrans-55.6126.4-173.700000107.8A8A8-G10 PolarHBondContact O-N 3.39Å
11K57Low64Low193 Ų193111.4 Ų111.484%0.83963%0.626SS**PPolyproline II helixtrans-46.5134.8176.5-72.6-178.3178.1178.40108.6V9 K13V9-K11 PolarHBondContact O-N 2.89Å; K11-K13 PolarHBondContact O-N 3.2Å
12P65.6Low66.7Low117 Ų117100.6 Ų100.676%0.7657%0.573SS**PPolyproline II helixtrans-56119.3-178.620.6-30.7000108.9
13K74.7Confident69.4Low114 Ų11498 Ų9850%0.49656%0.556SS.*PPolyproline II helixtrans-57.8141.7177.4-70.6-175.5-177-173.40109K11 A165 A166 Q168K11-K13 PolarHBondContact O-N 3.2Å; K13-A165 WeakPolarHBondContact CE-O 3.35Å; K13-A165 PolarHBondContact NZ-O 3.41Å; K13-A166 WeakPolarHBondContact CB-O 3.3Å; K13-Q168 HydrophobicContact CB-CG 3.69Å; K13-Q168 WeakPolarHBondContact O-CG 3.37Å; K13-Q168 PolarHBondContact O-NE2 2.82Å
14L84.7Confident72.2Confident125 Ų12590.8 Ų90.865%0.65452%0.518SS*.EExtended strand (participates in β ladder)trans-65.6144.8175.2-67.6171.9000110.1H16 Y167 Q168L14-H16 PolarHBondContact O-N 3.18Å; L14-Y167 HydrophobicContact CB-CD1 4.02Å; L14-Y167 HydrophobicContact CB-CE1 4.23Å; L14-Y167 CarbonylContact O-C 3.51Å; L14-Y167 VanDerWaalsContact O-CA 3.25Å; L14-Y167 WeakPolarHBondContact O-CA 3.47Å; L14-Q168 PolarHBondContact O-N 3.01Å
15V85.2Confident75Confident43 Ų4388.1 Ų88.126%0.26150%0.503SS..EExtended strand (participates in β ladder)trans-66.7132.3173.7178.90000108.9L19 Q20V15-L19 HydrophobicContact CG1-CB 3.71Å; V15-Q20 HydrophobicContact CB-CG 4.16Å; V15-Q20 HydrophobicContact CG1-CG 4.08Å; V15-Q20 PolarHBondContact O-NE2 2.83Å
16H88.7Confident77.7Confident18 Ų1881 Ų818%0.08347%0.465CS..PPolyproline II helixtrans-55.7137.5179.9-175.3-81.3000111L14 K18 L19 Q20 L157 D164 Y167 Q168L14-H16 PolarHBondContact O-N 3.18Å; H16-K18 WeakPolarHBondContact ND1-CB 3.32Å; H16-K18 PolarHBondContact ND1-N 3.27Å; H16-K18 VanDerWaalsContact ND1-N 3.14Å; H16-K18 PolarHBondContact O-N 3.2Å; H16-K18 VanDerWaalsContact O-N 3.08Å; H16-L19 HydrophobicContact CB-CD1 4.32Å; H16-L19 WeakPolarHBondContact O-CA 3.43Å; H16-L19 WeakPolarHBondContact O-CB 3.42Å; H16-L19 PolarHBondContact O-N 3.27Å; H16-Q20 PolarHBondContact O-N 3.17Å; H16-L157 HydrophobicContact CB-CD1 3.93Å; H16-L157 VanDerWaalsContact CG-CD1 3.49Å; H16-L157 VanDerWaalsContact ND1-CD1 3.3Å; H16-L157 WeakPolarHBondContact ND1-CD1 3.44Å; H16-D164 IonicContact CD2-OD1 3.37Å; H16-D164 IonicContact NE2-OD1 3.96Å; H16-D164 PolarHBondContact NE2-OD1 3.49Å; H16-Y167 HydrophobicContact CB-CG 4.39Å; H16-Q168 WeakPolarHBondContact CB-O 3.48Å; H16-Q168 PolarHBondContact N-O 3.4Å; H16-Q168 VanDerWaalsContact N-O 3.14Å
17P87.7Confident80.6Confident63 Ų6380.3 Ų80.341%0.40945%0.446SS..Hα-helixtrans-50.2-40.5-175.3-30.535.6000114.6L19 Q20P17-L19 PolarHBondContact O-N 3.13Å; P17-L19 VanDerWaalsContact O-N 3.16Å; P17-Q20 PolarHBondContact O-N 2.83Å
18K89.1Confident83.3Confident92 Ų9278.1 Ų78.140%0.443%0.426SS..Hα-helixtrans-67.3-9.5176.9-63.9-177.5172.7-171.50115.7H16 V22 D63 T66 Y68 L157H16-K18 WeakPolarHBondContact ND1-CB 3.32Å; H16-K18 PolarHBondContact ND1-N 3.27Å; H16-K18 VanDerWaalsContact ND1-N 3.14Å; H16-K18 PolarHBondContact O-N 3.2Å; H16-K18 VanDerWaalsContact O-N 3.08Å; K18-V22 WeakPolarHBondContact O-CG2 3.5Å; K18-D63 IonicContact NZ-OD2 3.75Å; K18-T66 HydrophobicContact CD-CG2 3.98Å; K18-T66 WeakPolarHBondContact CD-OG1 3.37Å; K18-T66 WeakPolarHBondContact CE-OG1 3.2Å; K18-T66 PolarHBondContact NZ-OG1 3.1Å; K18-Y68 PolarHBondContact O-OH 2.84Å; K18-L157 HydrophobicContact CB-CD1 4.4Å; K18-L157 HydrophobicContact CB-CD2 4.25Å
19L92.2Very high85.6Confident0 Ų076.4 Ų76.40%041%0.408CS..Hα-helixtrans-106.8-16.2175.9-70.6172.2000112.5V15 H16 P17 N21 V22 Y68 V155 L157 I169 R171V15-L19 HydrophobicContact CG1-CB 3.71Å; H16-L19 HydrophobicContact CB-CD1 4.32Å; H16-L19 WeakPolarHBondContact O-CA 3.43Å; H16-L19 WeakPolarHBondContact O-CB 3.42Å; H16-L19 PolarHBondContact O-N 3.27Å; P17-L19 PolarHBondContact O-N 3.13Å; P17-L19 VanDerWaalsContact O-N 3.16Å; L19-N21 VanDerWaalsContact C-N 3.34Å; L19-N21 PolarHBondContact O-N 3.43Å; L19-V22 HydrophobicContact CD2-CG2 4.41Å; L19-V22 PolarHBondContact O-N 3.15Å; L19-Y68 HydrophobicContact CD2-CD1 4.01Å; L19-Y68 HydrophobicContact CD2-CE1 3.8Å; L19-V155 HydrophobicContact CD2-CB 4.43Å; L19-V155 HydrophobicContact CD2-CG1 3.93Å; L19-L157 HydrophobicContact CD1-CD1 4.1Å; L19-L157 HydrophobicContact CD1-CG 4.05Å; L19-L157 HydrophobicContact CD2-CG 4.28Å; L19-L157 HydrophobicContact CG-CD1 4.11Å; L19-L157 HydrophobicContact CG-CG 4Å; L19-I169 WeakPolarHBondContact CD1-O 3.23Å; L19-R171 HydrophobicContact CB-CB 4.35Å; L19-R171 VanDerWaalsContact O-CD 3.29Å; L19-R171 WeakPolarHBondContact O-CD 3.3Å; L19-R171 PolarHBondContact O-NH1 3.44Å
20Q91.5Very high87.7Confident94 Ų9474.6 Ų74.644%0.43939%0.39SS..Hα-helixtrans-65.7-34.6-175-69.9176.71.800113V15 H16 P17 R171V15-Q20 HydrophobicContact CB-CG 4.16Å; V15-Q20 HydrophobicContact CG1-CG 4.08Å; V15-Q20 PolarHBondContact O-NE2 2.83Å; H16-Q20 PolarHBondContact O-N 3.17Å; P17-Q20 PolarHBondContact O-N 2.83Å; Q20-R171 PolarHBondContact O-NH1 2.83Å
21N94.1Very high89.6Confident110 Ų11073.2 Ų73.259%0.58837%0.368SS*.THydrogen-bonded Turntrans-92.6-4.4-179.7-64.5-32.6000113.5L19 H23 G61L19-N21 VanDerWaalsContact C-N 3.34Å; L19-N21 PolarHBondContact O-N 3.43Å; N21-H23 PolarHBondContact O-CE1 3.17Å; N21-H23 PolarHBondContact O-N 3.16Å; N21-H23 PolarHBondContact O-ND1 3.14Å; N21-G61 CarbonylContact C-O 3.5Å; N21-G61 WeakPolarHBondContact O-CA 3.26Å
22V97Very high91.5Very high0 Ų064 Ų640%033%0.328CS..  trans-70.5127.3179.9-1790000110K18 L19 T60 M62 Y68 V155 R171 F173K18-V22 WeakPolarHBondContact O-CG2 3.5Å; L19-V22 HydrophobicContact CD2-CG2 4.41Å; L19-V22 PolarHBondContact O-N 3.15Å; V22-T60 WeakPolarHBondContact CA-O 3.35Å; V22-M62 HydrophobicContact CB-CG 4.38Å; V22-M62 HydrophobicContact CG1-CG 3.83Å; V22-M62 HydrophobicContact CG1-SD 4.48Å; V22-M62 HydrophobicContact CG2-CB 4.41Å; V22-M62 HydrophobicContact CG2-CG 3.87Å; V22-Y68 HydrophobicContact CG2-CE1 4.37Å; V22-V155 HydrophobicContact CG1-CG1 4.27Å; V22-V155 HydrophobicContact CG1-CG2 4.27Å; V22-R171 VanDerWaalsContact O-CZ 3.22Å; V22-R171 PolarHBondContact O-NH1 3.2Å; V22-F173 HydrophobicContact CB-CZ 4.34Å; V22-F173 HydrophobicContact CG1-CE2 4.28Å; V22-F173 HydrophobicContact CG1-CZ 3.95Å; V22-F173 WeakPolarHBondContact O-CE1 3.29Å; V22-F173 VanDerWaalsContact O-CZ 3.23Å; V22-F173 WeakPolarHBondContact O-CZ 3.43Å
23H97.8Very high93.1Very high98 Ų9863.3 Ų63.345%0.45431%0.313SS..EExtended strand (participates in β ladder)trans-130.4137.4174-64.887.5000110.1N21 A59 T60N21-H23 PolarHBondContact O-CE1 3.17Å; N21-H23 PolarHBondContact O-N 3.16Å; N21-H23 PolarHBondContact O-ND1 3.14Å; H23-A59 CarbonylContact O-C 3.42Å; H23-A59 WeakPolarHBondContact O-CA 3.36Å; H23-T60 PolarHBondContact N-O 3.11Å; H23-T60 PolarHBondContact O-N 3.23Å
24L98.4Very high94.2Very high15 Ų1561.6 Ų61.68%0.07931%0.307CS..EExtended strand (participates in β ladder)trans-108.4137170.5-59.8-173.9000109.2V57 S58 A59 I153 V155 F173 F175L24-V57 HydrophobicContact CB-CB 4.49Å; L24-V57 HydrophobicContact CD1-CG2 4.34Å; L24-V57 HydrophobicContact CD2-CG2 4.47Å; L24-S58 CarbonylContact C-O 3.56Å; L24-S58 WeakPolarHBondContact CA-O 3.44Å; L24-A59 HydrophobicContact CD2-CB 3.59Å; L24-I153 HydrophobicContact CD1-CB 4Å; L24-I153 HydrophobicContact CD1-CG2 3.65Å; L24-V155 HydrophobicContact CD1-CG2 3.99Å; L24-V155 HydrophobicContact CD2-CG2 4.34Å; L24-V155 HydrophobicContact CG-CG2 4.35Å; L24-F173 HydrophobicContact CB-CB 4.4Å; L24-F173 HydrophobicContact CB-CD1 4.07Å; L24-F173 HydrophobicContact CB-CD2 4.45Å; L24-F173 HydrophobicContact CB-CE1 4.5Å; L24-F173 HydrophobicContact CB-CG 4.05Å; L24-F173 HydrophobicContact CD1-CB 4.02Å; L24-F173 HydrophobicContact CD1-CD2 3.5Å; L24-F173 VanDerWaalsContact CD1-CD2 3.5Å; L24-F173 HydrophobicContact CD1-CE2 4.09Å; L24-F173 HydrophobicContact CD1-CG 3.77Å; L24-F173 HydrophobicContact CG-CB 4.47Å; L24-F173 HydrophobicContact CG-CD1 4.16Å; L24-F173 HydrophobicContact CG-CD2 3.75Å; L24-F173 HydrophobicContact CG-CE1 4.35Å; L24-F173 HydrophobicContact CG-CE2 3.96Å; L24-F173 HydrophobicContact CG-CG 3.86Å; L24-F173 HydrophobicContact CG-CZ 4.25Å; L24-F175 HydrophobicContact CB-CZ 4Å
25K98.4Very high94.8Very high130 Ų13055.7 Ų55.757%0.56528%0.276SS*.EExtended strand (participates in β ladder)trans-114130.3172.6177-170.4173.6-161.70108.8E27 V57 S58K25-E27 PolarHBondContact O-N 3.06Å; K25-V57 CarbonylContact O-C 3.42Å; K25-V57 WeakPolarHBondContact O-CA 3.4Å; K25-V57 WeakPolarHBondContact O-CB 3.28Å; K25-S58 PolarHBondContact N-O 2.89Å; K25-S58 PolarHBondContact O-N 3.34Å
26L98.5Very high95.4Very high8 Ų856 Ų564%0.04228%0.28CS..EExtended strand (participates in β ladder)trans-70.9123.5174.5-173.871.8000110.5W32 V57 F175 Q177 T178L26-W32 HydrophobicContact CD2-CB 4.07Å; L26-W32 HydrophobicContact CD2-CG 3.93Å; L26-V57 HydrophobicContact CD1-CG1 4.3Å; L26-F175 HydrophobicContact CB-CD1 3.69Å; L26-F175 HydrophobicContact CB-CD2 4.37Å; L26-F175 HydrophobicContact CB-CE1 3.79Å; L26-F175 HydrophobicContact CB-CE2 4.46Å; L26-F175 HydrophobicContact CB-CG 3.99Å; L26-F175 HydrophobicContact CB-CZ 4.17Å; L26-F175 HydrophobicContact CD1-CD2 4.21Å; L26-F175 HydrophobicContact CD1-CG 4.33Å; L26-F175 HydrophobicContact CD2-CB 4.18Å; L26-F175 HydrophobicContact CD2-CG 4.35Å; L26-F175 HydrophobicContact CG-CG 4.46Å; L26-Q177 HydrophobicContact CD2-CG 3.81Å; L26-Q177 VanDerWaalsContact CD2-NE2 3.31Å; L26-T178 HydrophobicContact CD1-CG2 3.94Å; L26-T178 HydrophobicContact CD2-CG2 3.72Å
27E97.9Very high95.7Very high45 Ų4561.3 Ų61.321%0.2131%0.305CS..THydrogen-bonded Turntrans-84.2156.2172.1-62.2-56.3151.300111K25 S29 Q56 S58 V122K25-E27 PolarHBondContact O-N 3.06Å; E27-S29 PolarHBondContact O-N 2.83Å; E27-Q56 HydrophobicContact CB-CB 3.95Å; E27-Q56 PolarHBondContact N-O 3.1Å; E27-S58 VanDerWaalsContact OE1-CB 3.23Å; E27-S58 WeakPolarHBondContact OE1-CB 3.42Å; E27-S58 PolarHBondContact OE1-OG 3.34Å; E27-V122 HydrophobicContact CB-CG1 4.46Å; E27-V122 HydrophobicContact CG-CG1 3.89Å; E27-V122 HydrophobicContact CG-CG2 3.93Å
28M94.4Very high96Very high74 Ų7460 Ų6037%0.36529%0.294SS..THydrogen-bonded Turntrans52.337.5-172.6-54.2178-68.500112.3E30 L31 W32 Q56M28-E30 PolarHBondContact O-N 3.49Å; M28-L31 HydrophobicContact CB-CB 4.27Å; M28-L31 PolarHBondContact O-N 3.23Å; M28-W32 PolarHBondContact O-N 3.46Å; M28-W32 VanDerWaalsContact O-N 3.08Å; M28-Q56 HydrophobicContact CE-CB 4.16Å; M28-Q56 HydrophobicContact CE-CG 3.92Å; M28-Q56 VanDerWaalsContact CE-NE2 3.26Å
29S95Very high96.3Very high60 Ų6057 Ų5742%0.4229%0.289SS..Hα-helixtrans-57.1-34-17657.30000112.8E27 W32 K33E27-S29 PolarHBondContact O-N 2.83Å; S29-W32 PolarHBondContact O-N 3.38Å; S29-K33 WeakPolarHBondContact O-CB 3.41Å; S29-K33 PolarHBondContact O-N 2.9Å
30E96.3Very high96.6Very high106 Ų10657.1 Ų57.150%0.49529%0.289SS..Hα-helixtrans-67.7-40.4177.8-168.156.4-148.100112.2M28 K33 Q34M28-E30 PolarHBondContact O-N 3.49Å; E30-K33 WeakPolarHBondContact O-CB 3.35Å; E30-K33 PolarHBondContact O-N 3.46Å; E30-Q34 WeakPolarHBondContact O-CG 3.32Å; E30-Q34 PolarHBondContact O-N 2.92Å
31L96.9Very high96.9Very high33 Ų3352.6 Ų52.617%0.17327%0.268CS..Hα-helixtrans-64.6-45.6174.8-176.862.2000110.5M28 K33 Q34 F35 F52 P53M28-L31 HydrophobicContact CB-CB 4.27Å; M28-L31 PolarHBondContact O-N 3.23Å; L31-K33 PolarHBondContact O-N 2.91Å; L31-Q34 PolarHBondContact O-N 3.14Å; L31-F35 HydrophobicContact CD1-CD2 4.05Å; L31-F35 HydrophobicContact CD1-CE2 3.74Å; L31-F35 HydrophobicContact CG-CD2 4.05Å; L31-F35 HydrophobicContact CG-CE2 4Å; L31-F35 VanDerWaalsContact O-CD2 3.32Å; L31-F35 WeakPolarHBondContact O-CD2 3.36Å; L31-F35 PolarHBondContact O-N 2.6Å; L31-F35 VanDerWaalsContact O-N 3.1Å; L31-F52 HydrophobicContact CD2-CZ 4.24Å; L31-P53 HydrophobicContact CD2-CB 4.16Å; L31-P53 HydrophobicContact CD2-CG 3.98Å; L31-P53 HydrophobicContact CG-CG 3.97Å
32W98.2Very high97.1Very high0 Ų047.5 Ų47.50%024%0.241CC..Hα-helixtrans-57.7-38.9174.6-85.1109.2000112.5L26 M28 S29 F35 S36 T40 M42 M51 P53 T54 L55 Q177 T178L26-W32 HydrophobicContact CD2-CB 4.07Å; L26-W32 HydrophobicContact CD2-CG 3.93Å; M28-W32 PolarHBondContact O-N 3.46Å; M28-W32 VanDerWaalsContact O-N 3.08Å; S29-W32 PolarHBondContact O-N 3.38Å; W32-F35 PolarHBondContact O-N 3.34Å; W32-S36 VanDerWaalsContact O-CB 3.29Å; W32-S36 WeakPolarHBondContact O-CB 3.41Å; W32-S36 PolarHBondContact O-N 2.9Å; W32-T40 HydrophobicContact CZ3-CG2 4.27Å; W32-M42 HydrophobicContact CH2-CE 3.71Å; W32-M42 HydrophobicContact CZ3-CE 3.95Å; W32-M51 HydrophobicContact CH2-CE 4.19Å; W32-P53 HydrophobicContact CD2-CB 4.15Å; W32-P53 HydrophobicContact CD2-CG 4.21Å; W32-P53 HydrophobicContact CE3-CG 4.39Å; W32-P53 HydrophobicContact CH2-CB 4.4Å; W32-P53 WeakPolarHBondContact CH2-O 3.49Å; W32-P53 HydrophobicContact CZ2-CB 3.85Å; W32-P53 WeakPolarHBondContact CZ2-O 3.21Å; W32-T54 PolarHBondContact NE1-O 3.26Å; W32-L55 HydrophobicContact CH2-CD2 4.17Å; W32-L55 HydrophobicContact CZ2-CD2 3.76Å; W32-L55 HydrophobicContact CZ2-CG 4.23Å; W32-Q177 HydrophobicContact CB-CG 3.99Å; W32-T178 HydrophobicContact CD2-CG2 3.85Å; W32-T178 HydrophobicContact CE3-CG2 3.97Å; W32-T178 HydrophobicContact CG-CG2 4.3Å; W32-T178 HydrophobicContact CH2-CG2 4.42Å; W32-T178 HydrophobicContact CZ2-CG2 4.32Å; W32-T178 HydrophobicContact CZ3-CG2 4.25Å
33K97.8Very high97.2Very high102 Ų10248.7 Ų48.744%0.44325%0.247SC..Hα-helixtrans-63.2-46.4176.4-171.6-174.9173-159.80111.8S29 E30 L31 F35 S36 E37S29-K33 WeakPolarHBondContact O-CB 3.41Å; S29-K33 PolarHBondContact O-N 2.9Å; E30-K33 WeakPolarHBondContact O-CB 3.35Å; E30-K33 PolarHBondContact O-N 3.46Å; L31-K33 PolarHBondContact O-N 2.91Å; K33-F35 VanDerWaalsContact C-N 3.29Å; K33-F35 PolarHBondContact O-N 2.97Å; K33-S36 WeakPolarHBondContact O-CB 3.3Å; K33-S36 PolarHBondContact O-N 2.81Å; K33-S36 VanDerWaalsContact O-N 3.1Å; K33-E37 VanDerWaalsContact CE-OE1 3.26Å; K33-E37 WeakPolarHBondContact CE-OE1 3.4Å; K33-E37 WeakPolarHBondContact O-CG 3.36Å; K33-E37 PolarHBondContact O-N 3.47Å
34Q97.7Very high97.1Very high78 Ų7844.1 Ų44.136%0.36423%0.226SC..Hα-helixtrans-58-41.2175.9-67.917231.600112.3E30 L31 L194E30-Q34 WeakPolarHBondContact O-CG 3.32Å; E30-Q34 PolarHBondContact O-N 2.92Å; L31-Q34 PolarHBondContact O-N 3.14Å; Q34-L194 HydrophobicContact CB-CD2 4.1Å
35F97.7Very high97.1Very high0 Ų045.2 Ų45.20%023%0.234CC..Hα-helixtrans-66.2-44174-86.9-76.4000112.5L31 W32 K33 E37 L38 G39 T40 F52 P53 I191 L194 K195L31-F35 HydrophobicContact CD1-CD2 4.05Å; L31-F35 HydrophobicContact CD1-CE2 3.74Å; L31-F35 HydrophobicContact CG-CD2 4.05Å; L31-F35 HydrophobicContact CG-CE2 4Å; L31-F35 VanDerWaalsContact O-CD2 3.32Å; L31-F35 WeakPolarHBondContact O-CD2 3.36Å; L31-F35 PolarHBondContact O-N 2.6Å; L31-F35 VanDerWaalsContact O-N 3.1Å; W32-F35 PolarHBondContact O-N 3.34Å; K33-F35 VanDerWaalsContact C-N 3.29Å; K33-F35 PolarHBondContact O-N 2.97Å; F35-E37 VanDerWaalsContact C-N 3.35Å; F35-E37 PolarHBondContact O-N 3.46Å; F35-L38 PolarHBondContact O-N 3.3Å; F35-G39 CarbonylContact O-C 3.55Å; F35-G39 PolarHBondContact O-N 2.95Å; F35-T40 VanDerWaalsContact C-OG1 3.31Å; F35-T40 HydrophobicContact CB-CG2 4.29Å; F35-T40 PolarHBondContact O-N 3.26Å; F35-T40 VanDerWaalsContact O-N 3.11Å; F35-T40 PolarHBondContact O-OG1 3.14Å; F35-F52 HydrophobicContact CE2-CD1 4.4Å; F35-F52 AromaticContact CE2-CE1 3.87Å; F35-F52 HydrophobicContact CE2-CE1 3.87Å; F35-F52 HydrophobicContact CZ-CD1 4.08Å; F35-F52 AromaticContact CZ-CE1 3.78Å; F35-F52 HydrophobicContact CZ-CE1 3.78Å; F35-P53 HydrophobicContact CD2-CG 3.36Å; F35-P53 HydrophobicContact CE2-CG 3.57Å; F35-P53 HydrophobicContact CG-CG 4.12Å; F35-P53 HydrophobicContact CZ-CG 4.48Å; F35-I191 HydrophobicContact CD1-CD1 4.09Å; F35-I191 HydrophobicContact CE1-CG2 4.41Å; F35-L194 HydrophobicContact CD1-CD2 3.89Å; F35-L194 HydrophobicContact CD2-CD2 3.94Å; F35-L194 HydrophobicContact CD2-CG 4.47Å; F35-L194 HydrophobicContact CE1-CB 4.32Å; F35-L194 HydrophobicContact CE1-CD2 3.84Å; F35-L194 HydrophobicContact CE1-CG 3.98Å; F35-L194 HydrophobicContact CE2-CD2 3.93Å; F35-L194 HydrophobicContact CE2-CG 3.96Å; F35-L194 HydrophobicContact CG-CD2 3.92Å; F35-L194 HydrophobicContact CZ-CB 4.31Å; F35-L194 HydrophobicContact CZ-CD2 3.87Å; F35-L194 HydrophobicContact CZ-CG 3.67Å; F35-K195 HydrophobicContact CE1-CD 4.24Å; F35-K195 HydrophobicContact CE1-CG 3.42Å; F35-K195 VanDerWaalsContact CE1-CG 3.42Å; F35-K195 HydrophobicContact CZ-CB 4.49Å; F35-K195 HydrophobicContact CZ-CG 3.57Å
36S96.9Very high96.9Very high49 Ų4947 Ų4734%0.34324%0.241SC..Hα-helixtrans-61.4-41.8-179.4-170.50000112W32 K33 L38 G39 T40 Q177W32-S36 VanDerWaalsContact O-CB 3.29Å; W32-S36 WeakPolarHBondContact O-CB 3.41Å; W32-S36 PolarHBondContact O-N 2.9Å; K33-S36 WeakPolarHBondContact O-CB 3.3Å; K33-S36 PolarHBondContact O-N 2.81Å; K33-S36 VanDerWaalsContact O-N 3.1Å; S36-L38 PolarHBondContact O-N 2.79Å; S36-G39 PolarHBondContact O-N 2.99Å; S36-T40 PolarHBondContact N-OG1 3.01Å; S36-Q177 WeakPolarHBondContact CB-O 3.04Å
37E96.4Very high96.8Very high131 Ų13151.1 Ų51.161%0.61227%0.27SS*.Hα-helixtrans-60.6-30.8177.4-74.7172.5-17500113.3K33 F35K33-E37 VanDerWaalsContact CE-OE1 3.26Å; K33-E37 WeakPolarHBondContact CE-OE1 3.4Å; K33-E37 WeakPolarHBondContact O-CG 3.36Å; K33-E37 PolarHBondContact O-N 3.47Å; F35-E37 VanDerWaalsContact C-N 3.35Å; F35-E37 PolarHBondContact O-N 3.46Å
38L94.7Very high96.8Very high36 Ų3649.3 Ų49.319%0.18826%0.263CS..Hα-helixtrans-89.5-8176.7-64.9-177.6000113.6F35 S36 N188 R190 I191 L194F35-L38 PolarHBondContact O-N 3.3Å; S36-L38 PolarHBondContact O-N 2.79Å; L38-N188 PolarHBondContact O-ND2 2.84Å; L38-R190 HydrophobicContact CD1-CB 4.05Å; L38-R190 HydrophobicContact CD2-CB 4.26Å; L38-R190 VanDerWaalsContact CD2-NH2 3.28Å; L38-I191 HydrophobicContact CB-CD1 3.36Å; L38-I191 HydrophobicContact CB-CG1 4.07Å; L38-I191 HydrophobicContact CD1-CD1 4.15Å; L38-I191 HydrophobicContact CG-CD1 4.41Å; L38-L194 HydrophobicContact CD1-CB 4.34Å; L38-L194 HydrophobicContact CD1-CD2 3.84Å
39G95.1Very high96.9Very high27 Ų2753 Ų5328%0.27827%0.273SS..  trans77.290.6-167.500000111F35 S36 E41 I191F35-G39 CarbonylContact O-C 3.55Å; F35-G39 PolarHBondContact O-N 2.95Å; S36-G39 PolarHBondContact O-N 2.99Å; G39-E41 PolarHBondContact O-N 3.17Å; G39-I191 WeakPolarHBondContact O-CD1 3.38Å
40T97.9Very high97Very high3 Ų356.8 Ų56.82%0.01828%0.278CS..  trans-52128.1-179.1-50.60000111.5W32 F35 S36 M42 A179 F180 M181W32-T40 HydrophobicContact CZ3-CG2 4.27Å; F35-T40 VanDerWaalsContact C-OG1 3.31Å; F35-T40 HydrophobicContact CB-CG2 4.29Å; F35-T40 PolarHBondContact O-N 3.26Å; F35-T40 VanDerWaalsContact O-N 3.11Å; F35-T40 PolarHBondContact O-OG1 3.14Å; S36-T40 PolarHBondContact N-OG1 3.01Å; T40-M42 HydrophobicContact CG2-CE 3.66Å; T40-A179 WeakPolarHBondContact CB-O 3.23Å; T40-A179 PolarHBondContact OG1-O 2.9Å; T40-F180 HydrophobicContact CG2-CB 3.71Å; T40-F180 CarbonylContact O-C 3.57Å; T40-F180 VanDerWaalsContact O-CA 3.23Å; T40-F180 WeakPolarHBondContact O-CA 3.29Å; T40-F180 WeakPolarHBondContact O-CB 3.5Å; T40-M181 PolarHBondContact O-N 3Å
41E98.3Very high97Very high0 Ų052.4 Ų52.40%026%0.258CS..EExtended strand (participates in β ladder)trans-112136.7171.9-61.1178.8-17000110.4G39 W91 M181 V183 Y186 Q187 N188 I191 K195G39-E41 PolarHBondContact O-N 3.17Å; E41-W91 HydrophobicContact CG-CZ2 4.21Å; E41-W91 WeakPolarHBondContact OE1-CZ2 3.3Å; E41-M181 WeakPolarHBondContact CA-O 3.3Å; E41-V183 HydrophobicContact CB-CG2 4.02Å; E41-Y186 HydrophobicContact CB-CD1 3.87Å; E41-Y186 HydrophobicContact CB-CE1 4.12Å; E41-Y186 WeakPolarHBondContact OE2-CA 3.39Å; E41-Y186 WeakPolarHBondContact OE2-CD1 3.17Å; E41-Q187 PolarHBondContact OE2-N 2.83Å; E41-N188 VanDerWaalsContact OE1-CB 3.3Å; E41-N188 WeakPolarHBondContact OE1-CB 3.33Å; E41-N188 PolarHBondContact OE1-N 3.04Å; E41-I191 HydrophobicContact CB-CG2 4.11Å; E41-I191 HydrophobicContact CG-CG1 4.43Å; E41-I191 HydrophobicContact CG-CG2 4.49Å; E41-K195 VanDerWaalsContact O-CE 3.32Å; E41-K195 WeakPolarHBondContact O-CE 3.3Å; E41-K195 PolarHBondContact O-NZ 3.08Å
42M98.2Very high97Very high2 Ų252.3 Ų52.31%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-122.5123.5175.8-63.7-70.6179.700110.2W32 T40 V44 M51 F52 I130 F180 M181 A182 V183W32-M42 HydrophobicContact CH2-CE 3.71Å; W32-M42 HydrophobicContact CZ3-CE 3.95Å; T40-M42 HydrophobicContact CG2-CE 3.66Å; M42-V44 PolarHBondContact O-N 2.99Å; M42-M51 HydrophobicContact CE-CB 4.25Å; M42-M51 HydrophobicContact CE-CE 3.67Å; M42-M51 HydrophobicContact CG-CE 4.31Å; M42-M51 HydrophobicContact SD-CB 3.94Å; M42-M51 HydrophobicContact SD-CE 4.19Å; M42-M51 HydrophobicContact SD-CG 4.14Å; M42-F52 VanDerWaalsContact CE-O 3.24Å; M42-F52 WeakPolarHBondContact CE-O 3.32Å; M42-F52 VanDerWaalsContact SD-O 3.41Å; M42-I130 HydrophobicContact CB-CD1 3.65Å; M42-F180 HydrophobicContact CB-CD2 3.41Å; M42-F180 VanDerWaalsContact CB-CD2 3.41Å; M42-F180 HydrophobicContact CB-CE2 3.62Å; M42-F180 HydrophobicContact CB-CG 4.1Å; M42-F180 HydrophobicContact CB-CZ 4.44Å; M42-F180 HydrophobicContact CG-CB 3.83Å; M42-F180 HydrophobicContact CG-CD1 4.03Å; M42-F180 HydrophobicContact CG-CD2 3.32Å; M42-F180 HydrophobicContact CG-CE1 4.43Å; M42-F180 HydrophobicContact CG-CE2 3.8Å; M42-F180 HydrophobicContact CG-CG 3.45Å; M42-F180 VanDerWaalsContact CG-CG 3.45Å; M42-F180 HydrophobicContact CG-CZ 4.33Å; M42-M181 PolarHBondContact N-O 2.79Å; M42-A182 WeakPolarHBondContact O-CA 3.39Å; M42-V183 PolarHBondContact O-N 3.38Å
43I97.9Very high96.9Very high26 Ų2652.3 Ų52.313%0.13326%0.256CS..EExtended strand (participates in β ladder)trans-71.3124.7178.4-55.8-53.7000109.9T45 R49 V183 Y186I43-T45 HydrophobicContact CG2-CG2 3.81Å; I43-R49 WeakPolarHBondContact O-CB 3.31Å; I43-V183 CarbonylContact C-O 3.59Å; I43-V183 WeakPolarHBondContact CA-O 3.49Å; I43-V183 HydrophobicContact CD1-CG2 3.68Å; I43-Y186 HydrophobicContact CD1-CD1 3.72Å; I43-Y186 HydrophobicContact CD1-CD2 3.91Å; I43-Y186 HydrophobicContact CD1-CE1 3.65Å; I43-Y186 HydrophobicContact CD1-CE2 3.84Å; I43-Y186 HydrophobicContact CD1-CG 3.83Å; I43-Y186 HydrophobicContact CG1-CD1 4.39Å; I43-Y186 HydrophobicContact CG1-CD2 4.3Å; I43-Y186 HydrophobicContact CG1-CE1 3.83Å; I43-Y186 HydrophobicContact CG1-CE2 3.72Å; I43-Y186 VanDerWaalsContact CG1-CZ 3.43Å
44V97.3Very high96.8Very high2 Ų248.7 Ų48.71%0.01224%0.242CC..  trans-99.7139.3165.5-69.20000109.9M42 I130 N132 L143 A182 V183 T184M42-V44 PolarHBondContact O-N 2.99Å; V44-I130 HydrophobicContact CG1-CB 4.25Å; V44-I130 HydrophobicContact CG1-CD1 3.78Å; V44-I130 HydrophobicContact CG1-CG1 3.98Å; V44-N132 HydrophobicContact CB-CB 4.06Å; V44-N132 HydrophobicContact CG2-CB 3.81Å; V44-L143 HydrophobicContact CG1-CB 4.31Å; V44-L143 HydrophobicContact CG1-CD1 4.5Å; V44-A182 HydrophobicContact CG1-CB 4.13Å; V44-V183 WeakPolarHBondContact CG2-O 3.48Å; V44-V183 PolarHBondContact N-O 3Å; V44-T184 HydrophobicContact CG2-CG2 4.32Å
45T97.1Very high96.8Very high38 Ų3845 Ų4523%0.23323%0.225CC..BIsolated β-bridgetrans-137.8159.5178.963.10000109.8I43 C47 G48 R49 T131I43-T45 HydrophobicContact CG2-CG2 3.81Å; T45-C47 VanDerWaalsContact C-N 3.27Å; T45-C47 PolarHBondContact O-N 3.11Å; T45-G48 PolarHBondContact O-N 2.85Å; T45-G48 VanDerWaalsContact O-N 3.16Å; T45-G48 PolarHBondContact OG1-N 3.19Å; T45-R49 HydrophobicContact CG2-CB 4.3Å; T45-T131 WeakPolarHBondContact O-CA 3.32Å; T45-T131 WeakPolarHBondContact O-CB 3.35Å; T45-T131 PolarHBondContact O-OG1 3.3Å
46K95.1Very high96.8Very high168 Ų16847 Ų4773%0.7323%0.234SC*.THydrogen-bonded Turntrans-59.1-37.1178.5-69.5-173177.9-177.10113.1G48 T131 N132K46-G48 VanDerWaalsContact C-N 3.32Å; K46-T131 PolarHBondContact O-OG1 3.21Å; K46-N132 PolarHBondContact N-OD1 3.14Å
47C96Very high96.9Very high94 Ų9444.6 Ų44.664%0.63522%0.218SC*.THydrogen-bonded Turntrans-87.75.1-178.559.20000114.3T45 Y140T45-C47 VanDerWaalsContact C-N 3.27Å; T45-C47 PolarHBondContact O-N 3.11Å; C47-Y140 VanDerWaalsContact O-CE2 3.29Å; C47-Y140 WeakPolarHBondContact O-CE2 3Å
48G96.9Very high97Very high7 Ų739.6 Ų39.67%0.07220%0.198CC..  trans77131.8-177.300000113.3T45 K46 I130T45-G48 PolarHBondContact O-N 2.85Å; T45-G48 VanDerWaalsContact O-N 3.16Å; T45-G48 PolarHBondContact OG1-N 3.19Å; K46-G48 VanDerWaalsContact C-N 3.32Å; G48-I130 CarbonylContact C-O 3.54Å; G48-I130 WeakPolarHBondContact CA-O 3.47Å
49R97Very high97.2Very high151 Ų15138.1 Ų38.157%0.5719%0.191SC*.EExtended strand (participates in β ladder)trans-121.5140.4179-168.365.9177.6-178.1-1.3110.6I43 T45 K129 I130I43-R49 WeakPolarHBondContact O-CB 3.31Å; T45-R49 HydrophobicContact CG2-CB 4.3Å; R49-K129 VanDerWaalsContact O-CA 3.28Å; R49-K129 WeakPolarHBondContact O-CA 3.31Å; R49-I130 PolarHBondContact N-O 2.85Å; R49-I130 PolarHBondContact O-N 2.97Å
50R96.8Very high97.3Very high140 Ų14040.6 Ų40.653%0.52820%0.2SC..EExtended strand (participates in β ladder)trans-71.7143.2171.9-69.8177.6175.9170.90.9110.3D126 K129R50-D126 WeakPolarHBondContact CD-O 3.42Å; R50-D126 WeakPolarHBondContact CG-O 3.41Å; R50-D126 PolarHBondContact NE-O 3.11Å; R50-K129 HydrophobicContact CG-CG 4.02Å
51M96.9Very high97.3Very high13 Ų1342.3 Ų42.36%0.06422%0.219CC..  trans-72.1152.3176.1-67.717862.100111.8W32 M42 L55 F74 L128 I130 F180W32-M51 HydrophobicContact CH2-CE 4.19Å; M42-M51 HydrophobicContact CE-CB 4.25Å; M42-M51 HydrophobicContact CE-CE 3.67Å; M42-M51 HydrophobicContact CG-CE 4.31Å; M42-M51 HydrophobicContact SD-CB 3.94Å; M42-M51 HydrophobicContact SD-CE 4.19Å; M42-M51 HydrophobicContact SD-CG 4.14Å; M51-L55 HydrophobicContact CE-CD1 4.38Å; M51-L55 HydrophobicContact CE-CG 4.4Å; M51-L55 HydrophobicContact SD-CD1 4.45Å; M51-F74 HydrophobicContact CE-CE1 4.19Å; M51-F74 HydrophobicContact CE-CZ 4.41Å; M51-F74 HydrophobicContact SD-CE1 3.87Å; M51-F74 HydrophobicContact SD-CZ 3.49Å; M51-F74 WeakPolarHBondContact SD-CZ 2.95Å; M51-L128 HydrophobicContact CG-CD2 4.14Å; M51-L128 HydrophobicContact SD-CD2 3.67Å; M51-I130 HydrophobicContact CG-CD1 4.25Å; M51-I130 HydrophobicContact CG-CG2 4.47Å; M51-I130 HydrophobicContact SD-CG2 4.47Å; M51-F180 HydrophobicContact CE-CD1 4.11Å; M51-F180 HydrophobicContact CE-CE1 3.83Å; M51-F180 HydrophobicContact CE-CZ 4.49Å
52F96.2Very high97.2Very high31 Ų3142.8 Ų42.814%0.13622%0.221CC..SBendtrans-146.2125.8165.8-176.4-88.8000110.2L31 F35 M42 K195 S198 N199L31-F52 HydrophobicContact CD2-CZ 4.24Å; F35-F52 HydrophobicContact CE2-CD1 4.4Å; F35-F52 AromaticContact CE2-CE1 3.87Å; F35-F52 HydrophobicContact CE2-CE1 3.87Å; F35-F52 HydrophobicContact CZ-CD1 4.08Å; F35-F52 AromaticContact CZ-CE1 3.78Å; F35-F52 HydrophobicContact CZ-CE1 3.78Å; M42-F52 VanDerWaalsContact CE-O 3.24Å; M42-F52 WeakPolarHBondContact CE-O 3.32Å; M42-F52 VanDerWaalsContact SD-O 3.41Å; F52-K195 HydrophobicContact CD1-CG 4.15Å; F52-K195 PolarHBondContact O-NZ 3.42Å; F52-S198 VanDerWaalsContact CE1-OG 3.31Å; F52-S198 WeakPolarHBondContact CE1-OG 3.32Å; F52-N199 HydrophobicContact CD1-CB 3.98Å; F52-N199 HydrophobicContact CD2-CB 4.04Å; F52-N199 HydrophobicContact CE1-CB 3.7Å; F52-N199 HydrophobicContact CE2-CB 3.75Å; F52-N199 HydrophobicContact CG-CB 4.15Å; F52-N199 VanDerWaalsContact CZ-CA 3.4Å; F52-N199 HydrophobicContact CZ-CB 3.58Å
53P96.6Very high97.1Very high1 Ų145.8 Ų45.81%0.00624%0.237CC..SBendcis-62.5154.7-1-19.732.6000112.7L31 W32 F35L31-P53 HydrophobicContact CD2-CB 4.16Å; L31-P53 HydrophobicContact CD2-CG 3.98Å; L31-P53 HydrophobicContact CG-CG 3.97Å; W32-P53 HydrophobicContact CD2-CB 4.15Å; W32-P53 HydrophobicContact CD2-CG 4.21Å; W32-P53 HydrophobicContact CE3-CG 4.39Å; W32-P53 HydrophobicContact CH2-CB 4.4Å; W32-P53 WeakPolarHBondContact CH2-O 3.49Å; W32-P53 HydrophobicContact CZ2-CB 3.85Å; W32-P53 WeakPolarHBondContact CZ2-O 3.21Å; F35-P53 HydrophobicContact CD2-CG 3.36Å; F35-P53 HydrophobicContact CE2-CG 3.57Å; F35-P53 HydrophobicContact CG-CG 4.12Å; F35-P53 HydrophobicContact CZ-CG 4.48Å
54T96.2Very high97Very high25 Ų2546.7 Ų46.715%0.15325%0.248CC..  trans-74.6144.3175.551.20000109.7W32 Q56 D126W32-T54 PolarHBondContact NE1-O 3.26Å; T54-Q56 PolarHBondContact O-N 3.04Å; T54-Q56 VanDerWaalsContact O-N 3.16Å; T54-Q56 PolarHBondContact OG1-NE2 3.37Å; T54-D126 HydrophobicContact CG2-CB 4.33Å
55L97.7Very high96.9Very high2 Ų255.6 Ų55.61%0.0129%0.287CS..  trans-71109.9171-69.9169.6000108.9W32 M51 V72 F74 F125 P151 T178W32-L55 HydrophobicContact CH2-CD2 4.17Å; W32-L55 HydrophobicContact CZ2-CD2 3.76Å; W32-L55 HydrophobicContact CZ2-CG 4.23Å; M51-L55 HydrophobicContact CE-CD1 4.38Å; M51-L55 HydrophobicContact CE-CG 4.4Å; M51-L55 HydrophobicContact SD-CD1 4.45Å; L55-V72 HydrophobicContact CD1-CG1 4.01Å; L55-F74 HydrophobicContact CD1-CE1 4.44Å; L55-F125 HydrophobicContact CB-CB 4.19Å; L55-F125 HydrophobicContact CB-CD2 4.21Å; L55-F125 PolarHBondContact O-N 2.85Å; L55-P151 HydrophobicContact CD1-CB 3.88Å; L55-P151 HydrophobicContact CD1-CG 4.44Å; L55-P151 HydrophobicContact CD2-CB 4.34Å; L55-T178 HydrophobicContact CD2-CG2 3.82Å
56Q98.2Very high96.8Very high40 Ų4054.5 Ų54.519%0.18728%0.28CS..EExtended strand (participates in β ladder)trans-125.7130.5178.6-69-175.827.100109.1E27 M28 T54 V122 I123 N124E27-Q56 HydrophobicContact CB-CB 3.95Å; E27-Q56 PolarHBondContact N-O 3.1Å; M28-Q56 HydrophobicContact CE-CB 4.16Å; M28-Q56 HydrophobicContact CE-CG 3.92Å; M28-Q56 VanDerWaalsContact CE-NE2 3.26Å; T54-Q56 PolarHBondContact O-N 3.04Å; T54-Q56 VanDerWaalsContact O-N 3.16Å; T54-Q56 PolarHBondContact OG1-NE2 3.37Å; Q56-V122 HydrophobicContact CB-CG1 3.86Å; Q56-V122 HydrophobicContact CG-CG1 4.43Å; Q56-I123 VanDerWaalsContact CA-O 3.32Å; Q56-I123 WeakPolarHBondContact CA-O 3.29Å; Q56-N124 HydrophobicContact CG-CB 4.19Å; Q56-N124 WeakPolarHBondContact CG-OD1 3.26Å
57V98.7Very high96.8Very high0 Ų049.1 Ų49.10%026%0.259CS..EExtended strand (participates in β ladder)trans-138.5145.9-179.2-63.50000112L24 K25 L26 I123 I153 F175L24-V57 HydrophobicContact CB-CB 4.49Å; L24-V57 HydrophobicContact CD1-CG2 4.34Å; L24-V57 HydrophobicContact CD2-CG2 4.47Å; K25-V57 CarbonylContact O-C 3.42Å; K25-V57 WeakPolarHBondContact O-CA 3.4Å; K25-V57 WeakPolarHBondContact O-CB 3.28Å; L26-V57 HydrophobicContact CD1-CG1 4.3Å; V57-I123 HydrophobicContact CG2-CB 3.95Å; V57-I123 HydrophobicContact CG2-CD1 4.23Å; V57-I123 HydrophobicContact CG2-CG2 4.48Å; V57-I123 PolarHBondContact N-O 3.02Å; V57-I123 WeakPolarHBondContact O-CB 3.41Å; V57-I123 PolarHBondContact O-N 3.37Å; V57-I153 HydrophobicContact CB-CD1 4.44Å; V57-I153 HydrophobicContact CG1-CD1 3.47Å; V57-I153 VanDerWaalsContact CG1-CD1 3.47Å; V57-I153 HydrophobicContact CG2-CD1 4.07Å; V57-F175 HydrophobicContact CG1-CE2 3.78Å; V57-F175 HydrophobicContact CG1-CZ 4.17Å
58S98.5Very high96.8Very high26 Ų2644.6 Ų44.618%0.18223%0.229CC..EExtended strand (participates in β ladder)trans-98.9142.7164.352.50000110.2L24 K25 E27L24-S58 CarbonylContact C-O 3.56Å; L24-S58 WeakPolarHBondContact CA-O 3.44Å; K25-S58 PolarHBondContact N-O 2.89Å; K25-S58 PolarHBondContact O-N 3.34Å; E27-S58 VanDerWaalsContact OE1-CB 3.23Å; E27-S58 WeakPolarHBondContact OE1-CB 3.42Å; E27-S58 PolarHBondContact OE1-OG 3.34Å
59A98.3Very high96.8Very high5 Ų544.6 Ų44.64%0.04123%0.229CC..EExtended strand (participates in β ladder)trans-108.3143.9179.900000111.3H23 L24 M62 M119 I123H23-A59 CarbonylContact O-C 3.42Å; H23-A59 WeakPolarHBondContact O-CA 3.36Å; L24-A59 HydrophobicContact CD2-CB 3.59Å; A59-M62 HydrophobicContact CB-SD 3.68Å; A59-M119 HydrophobicContact CB-CG 4.36Å; A59-M119 WeakPolarHBondContact O-CG 3.48Å; A59-I123 HydrophobicContact CB-CD1 3.88Å
60T98.2Very high96.9Very high78 Ų7837.5 Ų37.548%0.47920%0.202SC..EExtended strand (participates in β ladder)trans-140.9159.9174.961.40000110.9V22 H23 M62V22-T60 WeakPolarHBondContact CA-O 3.35Å; H23-T60 PolarHBondContact N-O 3.11Å; H23-T60 PolarHBondContact O-N 3.23Å; T60-M62 VanDerWaalsContact C-N 3.27Å; T60-M62 PolarHBondContact O-N 3.37Å
61G97.1Very high96.9Very high40 Ų4033 Ų3341%0.41219%0.188SC..SBendtrans70.416.5174.100000115.5N21 M119N21-G61 CarbonylContact C-O 3.5Å; N21-G61 WeakPolarHBondContact O-CA 3.26Å; G61-M119 PolarHBondContact N-SD 3Å
62M96.8Very high97Very high10 Ų1032.4 Ų32.45%0.04919%0.185CC..  trans-80.1146171.7-53.8179.777.500110.4V22 A59 T60 A64 Y68 W118 M119 V155V22-M62 HydrophobicContact CB-CG 4.38Å; V22-M62 HydrophobicContact CG1-CG 3.83Å; V22-M62 HydrophobicContact CG1-SD 4.48Å; V22-M62 HydrophobicContact CG2-CB 4.41Å; V22-M62 HydrophobicContact CG2-CG 3.87Å; A59-M62 HydrophobicContact CB-SD 3.68Å; T60-M62 VanDerWaalsContact C-N 3.27Å; T60-M62 PolarHBondContact O-N 3.37Å; M62-A64 PolarHBondContact O-N 3.18Å; M62-Y68 HydrophobicContact CB-CE2 4.02Å; M62-Y68 HydrophobicContact CE-CD1 3.78Å; M62-Y68 HydrophobicContact CE-CD2 3.44Å; M62-Y68 VanDerWaalsContact CE-CD2 3.44Å; M62-Y68 HydrophobicContact CE-CE1 4.23Å; M62-Y68 HydrophobicContact CE-CE2 3.94Å; M62-Y68 HydrophobicContact CE-CG 3.33Å; M62-W118 HydrophobicContact CE-CB 4Å; M62-W118 HydrophobicContact CE-CG 4.08Å; M62-W118 HydrophobicContact SD-CB 3.58Å; M62-W118 VanDerWaalsContact SD-CB 3.58Å; M62-W118 HydrophobicContact SD-CG 4.31Å; M62-M119 HydrophobicContact CB-CE 4.08Å; M62-M119 HydrophobicContact CB-CG 4.01Å; M62-M119 HydrophobicContact CB-SD 3.76Å; M62-M119 HydrophobicContact CG-CG 4.04Å; M62-M119 HydrophobicContact CG-SD 4.19Å; M62-M119 PolarHBondContact N-SD 3.08Å; M62-M119 WeakPolarHBondContact O-CE 3.33Å; M62-M119 HydrophobicContact SD-CG 4.1Å; M62-V155 HydrophobicContact CE-CG1 3.9Å
63D95.7Very high97Very high64 Ų6431.2 Ų31.234%0.34218%0.18SC..  trans-70.7120.7172170.420.1000110K18 K65 T66 Y68 G115K18-D63 IonicContact NZ-OD2 3.75Å; D63-K65 PolarHBondContact O-N 3.46Å; D63-K65 PolarHBondContact OD1-N 3.3Å; D63-T66 PolarHBondContact O-N 2.91Å; D63-T66 VanDerWaalsContact O-N 3.11Å; D63-T66 WeakPolarHBondContact OD2-CB 3.37Å; D63-T66 PolarHBondContact OD2-OG1 3.01Å; D63-Y68 PolarHBondContact N-OH 3.34Å; D63-G115 WeakPolarHBondContact O-CA 3.35Å
64A96.2Very high97Very high45 Ų4531.6 Ų31.637%0.37218%0.181SC..THydrogen-bonded Turntrans-54-32.5-171.400000114.3M62 S116M62-A64 PolarHBondContact O-N 3.18Å; A64-S116 WeakPolarHBondContact O-CB 3.32Å; A64-S116 PolarHBondContact O-N 3.22Å; A64-S116 VanDerWaalsContact O-N 3.1Å; A64-S116 PolarHBondContact O-OG 3.31Å
65K94.9Very high97Very high190 Ų19032.2 Ų32.283%0.82619%0.185SC*.THydrogen-bonded Turntrans-99-10.7-175.5-64-177.7-178.71790113.9D63D63-K65 PolarHBondContact O-N 3.46Å; D63-K65 PolarHBondContact OD1-N 3.3Å
66T94.2Very high96.8Very high15 Ų1534.8 Ų34.89%0.09220%0.202CC..SBendtrans-81.4140.7-178.4-73.60000110.8K18 D63 Y68 T114 G115 L157K18-T66 HydrophobicContact CD-CG2 3.98Å; K18-T66 WeakPolarHBondContact CD-OG1 3.37Å; K18-T66 WeakPolarHBondContact CE-OG1 3.2Å; K18-T66 PolarHBondContact NZ-OG1 3.1Å; D63-T66 PolarHBondContact O-N 2.91Å; D63-T66 VanDerWaalsContact O-N 3.11Å; D63-T66 WeakPolarHBondContact OD2-CB 3.37Å; D63-T66 PolarHBondContact OD2-OG1 3.01Å; T66-Y68 HydrophobicContact CG2-CD2 4.03Å; T66-Y68 HydrophobicContact CG2-CE1 4.15Å; T66-Y68 HydrophobicContact CG2-CE2 3.55Å; T66-Y68 WeakPolarHBondContact O-CD2 3.45Å; T66-Y68 WeakPolarHBondContact O-CE2 3.38Å; T66-T114 CarbonylContact O-C 3.57Å; T66-T114 VanDerWaalsContact O-CA 3.24Å; T66-T114 WeakPolarHBondContact O-CA 3.14Å; T66-G115 PolarHBondContact O-N 3.27Å; T66-L157 HydrophobicContact CG2-CD2 3.45Å; T66-L157 VanDerWaalsContact CG2-CD2 3.45Å
67L95.6Very high96.6Very high54 Ų5436.5 Ų36.528%0.28321%0.212SC..EExtended strand (participates in β ladder)trans-84.9123.8174.4-71.3172.9000110.6A113 T114 T158 K159L67-A113 WeakPolarHBondContact CA-O 3.32Å; L67-T114 HydrophobicContact CD2-CG2 3.86Å; L67-T158 PolarHBondContact O-N 3.27Å; L67-K159 HydrophobicContact CD1-CD 4.18Å
68Y97Very high96.2Very high0 Ų040 Ų400%023%0.228CC..EExtended strand (participates in β ladder)trans-119.5144177.4-60.1-95.1000110.6K18 L19 V22 M62 D63 T66 P112 A113 W118 V155 T156 L157K18-Y68 PolarHBondContact O-OH 2.84Å; L19-Y68 HydrophobicContact CD2-CD1 4.01Å; L19-Y68 HydrophobicContact CD2-CE1 3.8Å; V22-Y68 HydrophobicContact CG2-CE1 4.37Å; M62-Y68 HydrophobicContact CB-CE2 4.02Å; M62-Y68 HydrophobicContact CE-CD1 3.78Å; M62-Y68 HydrophobicContact CE-CD2 3.44Å; M62-Y68 VanDerWaalsContact CE-CD2 3.44Å; M62-Y68 HydrophobicContact CE-CE1 4.23Å; M62-Y68 HydrophobicContact CE-CE2 3.94Å; M62-Y68 HydrophobicContact CE-CG 3.33Å; D63-Y68 PolarHBondContact N-OH 3.34Å; T66-Y68 HydrophobicContact CG2-CD2 4.03Å; T66-Y68 HydrophobicContact CG2-CE1 4.15Å; T66-Y68 HydrophobicContact CG2-CE2 3.55Å; T66-Y68 WeakPolarHBondContact O-CD2 3.45Å; T66-Y68 WeakPolarHBondContact O-CE2 3.38Å; Y68-P112 WeakPolarHBondContact O-CA 3.31Å; Y68-A113 PolarHBondContact N-O 2.81Å; Y68-A113 PolarHBondContact O-N 3.48Å; Y68-W118 PolarHBondContact O-NE1 2.83Å; Y68-V155 HydrophobicContact CD1-CG1 3.74Å; Y68-V155 HydrophobicContact CE1-CG1 4.49Å; Y68-V155 HydrophobicContact CG-CG1 4.33Å; Y68-T156 CarbonylContact C-O 3.56Å; Y68-T156 WeakPolarHBondContact CA-O 3.39Å; Y68-L157 HydrophobicContact CD1-CD2 3.69Å; Y68-L157 HydrophobicContact CE1-CD2 3.43Å; Y68-L157 VanDerWaalsContact CE1-CD2 3.43Å; Y68-L157 HydrophobicContact CE1-CG 4.46Å
69G97.1Very high95.9Very high7 Ų745.7 Ų45.77%0.07225%0.25CC..EExtended strand (participates in β ladder)trans-97.4142.7162.100000110.1V155 T156 T158G69-V155 CarbonylContact O-C 3.58Å; G69-V155 WeakPolarHBondContact O-CA 3.24Å; G69-T156 PolarHBondContact N-O 2.88Å; G69-T156 PolarHBondContact O-N 2.79Å; G69-T156 PolarHBondContact O-OG1 2.83Å; G69-T158 PolarHBondContact N-OG1 3.49Å
70I98Very high95.7Very high1 Ų149.5 Ų49.51%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-125.7130172.3-52.2-174.4000108.9H108 S111 W118 I123 F125 I153 H154 V155I70-H108 VanDerWaalsContact O-CB 3.24Å; I70-H108 WeakPolarHBondContact O-CB 3.32Å; I70-H108 PolarHBondContact O-N 3.22Å; I70-S111 PolarHBondContact N-OG 3.16Å; I70-S111 PolarHBondContact O-OG 2.9Å; I70-W118 HydrophobicContact CB-CH2 4.2Å; I70-W118 HydrophobicContact CB-CZ2 4.22Å; I70-W118 HydrophobicContact CD1-CB 4.29Å; I70-W118 HydrophobicContact CD1-CD2 3.45Å; I70-W118 VanDerWaalsContact CD1-CD2 3.45Å; I70-W118 HydrophobicContact CD1-CE3 3.65Å; I70-W118 HydrophobicContact CD1-CG 3.78Å; I70-W118 HydrophobicContact CD1-CH2 4.38Å; I70-W118 HydrophobicContact CD1-CZ2 4.24Å; I70-W118 HydrophobicContact CD1-CZ3 4.11Å; I70-W118 HydrophobicContact CG1-CD2 4.02Å; I70-W118 HydrophobicContact CG1-CE3 4.37Å; I70-W118 HydrophobicContact CG1-CH2 4.26Å; I70-W118 HydrophobicContact CG1-CZ2 3.92Å; I70-W118 HydrophobicContact CG1-CZ3 4.48Å; I70-I123 HydrophobicContact CD1-CD1 3.53Å; I70-F125 HydrophobicContact CG2-CZ 3.89Å; I70-I153 HydrophobicContact CG2-CG2 3.69Å; I70-H154 VanDerWaalsContact CA-O 3.29Å; I70-H154 WeakPolarHBondContact CA-O 3.49Å; I70-V155 HydrophobicContact CD1-CG2 4.41Å; I70-V155 HydrophobicContact CG1-CG2 4.29Å
71M97.3Very high95.5Very high47 Ų4750.4 Ų50.423%0.23226%0.26CS..EExtended strand (participates in β ladder)trans-148.1159.3-174.664-167.6-147.900111.7I105 H106 P107 I153 H154 T156M71-I105 HydrophobicContact CB-CG2 3.68Å; M71-I105 HydrophobicContact CE-CD1 3.51Å; M71-I105 HydrophobicContact CE-CG2 3.66Å; M71-I105 HydrophobicContact CG-CG2 3.59Å; M71-I105 HydrophobicContact SD-CG2 3.61Å; M71-H106 CarbonylContact C-O 3.56Å; M71-H106 VanDerWaalsContact CA-O 3.29Å; M71-H106 WeakPolarHBondContact CA-O 3.42Å; M71-H106 WeakPolarHBondContact CB-O 3.49Å; M71-P107 HydrophobicContact CB-CB 4.42Å; M71-I153 CarbonylContact O-C 3.48Å; M71-I153 WeakPolarHBondContact O-CA 3.49Å; M71-H154 HydrophobicContact CE-CB 4.29Å; M71-H154 HydrophobicContact CG-CB 3.84Å; M71-H154 PolarHBondContact N-O 3.39Å; M71-H154 PolarHBondContact O-N 2.82Å; M71-T156 HydrophobicContact CE-CG2 4.48Å
72V98.3Very high95.5Very high0 Ų049.4 Ų49.40%024%0.244CC..EExtended strand (participates in β ladder)trans-121137.6-177.9174.30000110.5L55 F74 I105 H106 F125 L128 R152 I153L55-V72 HydrophobicContact CD1-CG1 4.01Å; V72-F74 HydrophobicContact CG1-CE1 4.35Å; V72-F74 HydrophobicContact CG1-CZ 4.12Å; V72-I105 WeakPolarHBondContact O-CA 3.29Å; V72-H106 PolarHBondContact N-O 3.3Å; V72-H106 PolarHBondContact O-N 2.78Å; V72-F125 HydrophobicContact CB-CD1 4.44Å; V72-F125 HydrophobicContact CB-CE1 4.36Å; V72-F125 HydrophobicContact CG2-CD1 3.64Å; V72-F125 HydrophobicContact CG2-CD2 3.88Å; V72-F125 HydrophobicContact CG2-CE1 3.44Å; V72-F125 VanDerWaalsContact CG2-CE1 3.44Å; V72-F125 HydrophobicContact CG2-CE2 3.7Å; V72-F125 HydrophobicContact CG2-CG 3.85Å; V72-F125 HydrophobicContact CG2-CZ 3.48Å; V72-F125 VanDerWaalsContact CG2-CZ 3.48Å; V72-L128 HydrophobicContact CB-CD1 3.75Å; V72-L128 HydrophobicContact CG1-CD1 3.64Å; V72-L128 HydrophobicContact CG2-CD1 4.36Å; V72-R152 VanDerWaalsContact CA-O 3.31Å; V72-R152 WeakPolarHBondContact CA-O 3.41Å; V72-I153 HydrophobicContact CG2-CG1 4.13Å; V72-I153 HydrophobicContact CG2-CG2 4.44Å
73D96.9Very high95.5Very high6 Ų655 Ų553%0.03227%0.265CS..EExtended strand (participates in β ladder)trans-127174.1163.984.6-4.9000111I105 R152 H154D73-I105 HydrophobicContact CB-CG1 4.05Å; D73-R152 PolarHBondContact N-O 2.92Å; D73-R152 PolarHBondContact O-N 2.9Å; D73-R152 WeakPolarHBondContact OD1-CB 3.31Å; D73-R152 IonicContact OD1-CZ 2.84Å; D73-R152 IonicContact OD1-NE 3.8Å; D73-R152 PolarHBondContact OD1-NE 2.9Å; D73-R152 IonicContact OD1-NH2 3.88Å; D73-R152 PolarHBondContact OD1-NH2 3.29Å; D73-R152 IonicContact OD2-CZ 3.62Å; D73-R152 IonicContact OD2-NE 3.47Å; D73-R152 IonicContact OD2-NH2 3.58Å; D73-R152 PolarHBondContact OD2-NH2 2.68Å; D73-H154 IonicContact OD1-CE1 2.9Å; D73-H154 IonicContact OD1-NE2 3.74Å; D73-H154 PolarHBondContact OD1-NE2 3.16Å; D73-H154 VanDerWaalsContact OD1-NE2 3.1Å; D73-H154 IonicContact OD2-NE2 3.17Å; D73-H154 PolarHBondContact OD2-NE2 3.21Å
74F96.9Very high95.5Very high9 Ų952.8 Ų52.84%0.03925%0.251CS..EExtended strand (participates in β ladder)trans-127.4127.5172.9-58.3-74.9000108.9M51 L55 V72 L128 I130 I141 L143 Y149 P151 F180M51-F74 HydrophobicContact CE-CE1 4.19Å; M51-F74 HydrophobicContact CE-CZ 4.41Å; M51-F74 HydrophobicContact SD-CE1 3.87Å; M51-F74 HydrophobicContact SD-CZ 3.49Å; M51-F74 WeakPolarHBondContact SD-CZ 2.95Å; L55-F74 HydrophobicContact CD1-CE1 4.44Å; V72-F74 HydrophobicContact CG1-CE1 4.35Å; V72-F74 HydrophobicContact CG1-CZ 4.12Å; F74-L128 HydrophobicContact CE2-CD1 4.38Å; F74-L128 HydrophobicContact CE2-CD2 3.99Å; F74-L128 HydrophobicContact CZ-CD1 4.12Å; F74-L128 HydrophobicContact CZ-CD2 3.78Å; F74-I130 HydrophobicContact CD2-CG2 4.39Å; F74-I130 HydrophobicContact CE2-CG2 3.65Å; F74-I130 HydrophobicContact CZ-CG2 4.08Å; F74-I141 HydrophobicContact CD2-CB 4.1Å; F74-I141 HydrophobicContact CD2-CD1 3.73Å; F74-I141 HydrophobicContact CD2-CG2 3.6Å; F74-I141 HydrophobicContact CE2-CB 4.11Å; F74-I141 HydrophobicContact CE2-CD1 3.43Å; F74-I141 VanDerWaalsContact CE2-CD1 3.43Å; F74-I141 HydrophobicContact CE2-CG1 4.35Å; F74-I141 HydrophobicContact CE2-CG2 4.14Å; F74-I141 HydrophobicContact CZ-CD1 4.48Å; F74-L143 HydrophobicContact CB-CD2 3.93Å; F74-L143 HydrophobicContact CD2-CD1 4.37Å; F74-L143 HydrophobicContact CD2-CD2 4.12Å; F74-L143 HydrophobicContact CG-CD2 4.29Å; F74-Y149 HydrophobicContact CB-CD1 4.15Å; F74-Y149 HydrophobicContact CB-CG 4.46Å; F74-P151 HydrophobicContact CD1-CB 3.82Å; F74-P151 HydrophobicContact CD1-CG 3.82Å; F74-P151 HydrophobicContact CE1-CB 3.7Å; F74-P151 HydrophobicContact CE1-CG 3.7Å; F74-F180 AromaticContact CD1-CE1 3.68Å; F74-F180 HydrophobicContact CD1-CE1 3.68Å; F74-F180 HydrophobicContact CD1-CZ 4.02Å; F74-F180 AromaticContact CE1-CE1 3.65Å; F74-F180 HydrophobicContact CE1-CE1 3.65Å; F74-F180 HydrophobicContact CE1-CZ 4.08Å
75V94.6Very high95.4Very high38 Ų3850.7 Ų50.723%0.2323%0.234CC..EExtended strand (participates in β ladder)trans-102.7139.3172.4-65.70000110.2L77 Y149 Q150 R152V75-L77 PolarHBondContact O-N 3.08Å; V75-Y149 CarbonylContact O-C 3.58Å; V75-Y149 WeakPolarHBondContact O-CA 3.47Å; V75-Q150 HydrophobicContact CG2-CB 3.88Å; V75-Q150 HydrophobicContact CG2-CG 4.42Å; V75-Q150 PolarHBondContact N-O 2.84Å; V75-Q150 PolarHBondContact O-N 3.47Å; V75-R152 HydrophobicContact CG2-CG 4.19Å
76P94.6Very high95.2Very high55 Ų5548.6 Ų48.636%0.35722%0.222SC..EExtended strand (participates in β ladder)trans-55.7133.9168.6-21.332.1000110Y149P76-Y149 HydrophobicContact CB-CE1 4.48Å; P76-Y149 HydrophobicContact CG-CE1 4.12Å
77L93.8Very high95Very high77 Ų7754.8 Ų54.840%0.40325%0.25SC..SBendtrans-76.5-39.4174.7-87.9173.5000111.7V75 Q148 Q150 A179V75-L77 PolarHBondContact O-N 3.08Å; L77-Q148 HydrophobicContact CB-CB 3.88Å; L77-Q148 HydrophobicContact CD1-CB 3.95Å; L77-Q148 HydrophobicContact CG-CB 4.45Å; L77-Q148 PolarHBondContact N-O 2.9Å; L77-Q150 HydrophobicContact CD2-CB 3.77Å; L77-Q150 HydrophobicContact CG-CB 3.92Å; L77-A179 HydrophobicContact CD1-CB 3.7Å
78E90.6Very high94.7Very high74 Ų7460.8 Ų60.835%0.34627%0.269SS..  trans-145.6153.7179.8-66.5-172-147.100110.6K80 Y82E78-K80 HydrophobicContact CB-CB 4.5Å; E78-K80 HydrophobicContact CB-CG 4.45Å; E78-K80 PolarHBondContact O-N 3.06Å; E78-K80 VanDerWaalsContact OE2-CD 3.26Å; E78-K80 WeakPolarHBondContact OE2-CD 3.35Å; E78-K80 WeakPolarHBondContact OE2-CE 3.37Å; E78-K80 IonicContact OE2-NZ 2.68Å; E78-K80 PolarHBondContact OE2-NZ 3.18Å; E78-Y82 PolarHBondContact OE2-OH 3.49Å
79F91.4Very high94.3Very high144 Ų14464.8 Ų64.863%0.63230%0.297SS*.SBendtrans-82.749.8173.9-59.6-72.3000112.2S97 E100F79-S97 VanDerWaalsContact C-CB 3.43Å; F79-S97 PolarHBondContact O-N 3.43Å; F79-S97 VanDerWaalsContact O-N 3.08Å; F79-E100 VanDerWaalsContact CE1-OE1 3.28Å; F79-E100 WeakPolarHBondContact CE1-OE1 3.45Å
80K94.1Very high94.1Very high85 Ų8567.5 Ų67.537%0.3731%0.312SS..EExtended strand (participates in β ladder)trans-132.7141.7-178.1-62.8-178.2-166.9150.90111.2E78 Y82 V93 H147E78-K80 HydrophobicContact CB-CB 4.5Å; E78-K80 HydrophobicContact CB-CG 4.45Å; E78-K80 PolarHBondContact O-N 3.06Å; E78-K80 VanDerWaalsContact OE2-CD 3.26Å; E78-K80 WeakPolarHBondContact OE2-CD 3.35Å; E78-K80 WeakPolarHBondContact OE2-CE 3.37Å; E78-K80 IonicContact OE2-NZ 2.68Å; E78-K80 PolarHBondContact OE2-NZ 3.18Å; K80-Y82 HydrophobicContact CB-CD2 4.49Å; K80-Y82 HydrophobicContact CB-CE2 3.87Å; K80-V93 HydrophobicContact CB-CG1 4.32Å; K80-V93 HydrophobicContact CD-CG1 4.04Å; K80-V93 HydrophobicContact CD-CG2 3.72Å; K80-V93 HydrophobicContact CG-CG1 4.39Å; K80-H147 PolarHBondContact O-CD2 3.04Å
81R94.8Very high94Very high97 Ų9769.6 Ų69.637%0.36632%0.32SS..EExtended strand (participates in β ladder)trans-94.3135.1167.4-174.7173.6-179.9-87.3-0.9109.3A94 G95 P96 M146R81-A94 PolarHBondContact O-N 3.28Å; R81-G95 PolarHBondContact N-O 3.23Å; R81-G95 PolarHBondContact O-N 2.86Å; R81-P96 VanDerWaalsContact CB-O 3.25Å; R81-P96 WeakPolarHBondContact CB-O 3.23Å; R81-M146 HydrophobicContact CG-CB 4.27Å
82Y97Very high93.9Very high20 Ų2068.8 Ų68.88%0.07832%0.318CS..EExtended strand (participates in β ladder)trans-106.7164.1-177.7-70.2-93.3000112.3E78 K80 W91 V92 V93 M146 Q148 M181E78-Y82 PolarHBondContact OE2-OH 3.49Å; K80-Y82 HydrophobicContact CB-CD2 4.49Å; K80-Y82 HydrophobicContact CB-CE2 3.87Å; Y82-W91 HydrophobicContact CD1-CB 4.33Å; Y82-V92 CarbonylContact C-O 3.59Å; Y82-V92 WeakPolarHBondContact CA-O 3.26Å; Y82-V93 HydrophobicContact CD1-CG2 4.36Å; Y82-V93 HydrophobicContact CE1-CG2 3.81Å; Y82-M146 PolarHBondContact N-O 2.79Å; Y82-M146 WeakPolarHBondContact O-CB 3.47Å; Y82-Q148 HydrophobicContact CD2-CG 4.37Å; Y82-Q148 HydrophobicContact CE2-CG 4.14Å; Y82-Q148 PolarHBondContact OH-OE1 2.68Å; Y82-M181 HydrophobicContact CD1-CE 4.41Å; Y82-M181 HydrophobicContact CD2-CE 4.01Å; Y82-M181 HydrophobicContact CD2-SD 4.28Å; Y82-M181 HydrophobicContact CG-CE 3.87Å; Y82-M181 HydrophobicContact CG-SD 4.43Å
83R95.8Very high93.7Very high127 Ų12772.5 Ų72.548%0.47934%0.34SS..EExtended strand (participates in β ladder)trans-137.1151.916267.1-178.1-176.688.3-3108.8V92 A94R83-V92 HydrophobicContact CG-CG2 3.51Å; R83-V92 PolarHBondContact N-O 3.22Å; R83-V92 PolarHBondContact O-N 3.12Å; R83-A94 HydrophobicContact CB-CB 4.05Å; R83-A94 HydrophobicContact CG-CB 3.98Å
84Y96.2Very high93.6Very high17 Ų1774.5 Ų74.57%0.06736%0.357CS..EExtended strand (participates in β ladder)trans-85.1130.4174.2-162.1-109.9000110.2Y86 S89 W91 Q187 N188Y84-Y86 AromaticContact CD1-CD1 3.91Å; Y84-Y86 HydrophobicContact CD1-CD1 3.91Å; Y84-Y86 HydrophobicContact CD1-CD2 4.44Å; Y84-Y86 AromaticContact CD1-CE1 3.89Å; Y84-Y86 HydrophobicContact CD1-CE1 3.89Å; Y84-Y86 HydrophobicContact CD1-CE2 4.4Å; Y84-Y86 HydrophobicContact CD1-CG 4.2Å; Y84-Y86 HydrophobicContact CE1-CD1 4.11Å; Y84-Y86 HydrophobicContact CE1-CE1 4.31Å; Y84-S89 WeakPolarHBondContact OH-CA 3.4Å; Y84-S89 PolarHBondContact OH-O 3.43Å; Y84-W91 AromaticContact CD2-CD1 3.95Å; Y84-W91 AromaticContact CD2-CD2 3.71Å; Y84-W91 HydrophobicContact CD2-CD2 3.71Å; Y84-W91 AromaticContact CD2-CE2 3.6Å; Y84-W91 HydrophobicContact CD2-CE3 4.26Å; Y84-W91 AromaticContact CD2-CG 3.96Å; Y84-W91 HydrophobicContact CD2-CG 3.96Å; Y84-W91 HydrophobicContact CD2-CZ2 4.08Å; Y84-W91 AromaticContact CD2-NE1 3.72Å; Y84-W91 HydrophobicContact CE2-CG 4.47Å; Y84-W91 AromaticContact CE2-NE1 3.92Å; Y84-Q187 HydrophobicContact CD1-CB 3.8Å; Y84-Q187 HydrophobicContact CD2-CB 4.08Å; Y84-Q187 HydrophobicContact CE1-CB 4.49Å; Y84-Q187 HydrophobicContact CG-CB 3.56Å; Y84-Q187 HydrophobicContact CG-CG 4.44Å; Y84-N188 HydrophobicContact CE2-CB 4.16Å
85S94.6Very high93.5Very high2 Ų275.2 Ų75.21%0.01437%0.367CS..EExtended strand (participates in β ladder)trans-97.1102.4172167.80000108.4H87 R88 S89 T90S85-H87 VanDerWaalsContact C-N 3.34Å; S85-H87 PolarHBondContact O-N 2.89Å; S85-H87 PolarHBondContact OG-CD2 2.9Å; S85-H87 PolarHBondContact OG-CE1 3.47Å; S85-H87 PolarHBondContact OG-NE2 2.91Å; S85-R88 CarbonylContact O-C 3.5Å; S85-R88 PolarHBondContact O-N 3.47Å; S85-R88 PolarHBondContact OG-N 2.8Å; S85-S89 WeakPolarHBondContact O-CA 3.25Å; S85-S89 PolarHBondContact O-N 3.29Å; S85-T90 WeakPolarHBondContact CB-O 3.19Å; S85-T90 PolarHBondContact N-O 2.68Å; S85-T90 PolarHBondContact O-N 2.8Å; S85-T90 VanDerWaalsContact O-N 3.17Å
86Y91.1Very high93.4Very high146 Ų14678.6 Ų78.657%0.57339%0.39SS*.G310 helixtrans-61.5-40.9179.9-68.1-83.6000112.5Y84 R88 S89 Q187Y84-Y86 AromaticContact CD1-CD1 3.91Å; Y84-Y86 HydrophobicContact CD1-CD1 3.91Å; Y84-Y86 HydrophobicContact CD1-CD2 4.44Å; Y84-Y86 AromaticContact CD1-CE1 3.89Å; Y84-Y86 HydrophobicContact CD1-CE1 3.89Å; Y84-Y86 HydrophobicContact CD1-CE2 4.4Å; Y84-Y86 HydrophobicContact CD1-CG 4.2Å; Y84-Y86 HydrophobicContact CE1-CD1 4.11Å; Y84-Y86 HydrophobicContact CE1-CE1 4.31Å; Y86-R88 VanDerWaalsContact C-N 3.25Å; Y86-R88 PolarHBondContact O-N 2.91Å; Y86-S89 PolarHBondContact O-N 2.94Å; Y86-S89 VanDerWaalsContact O-N 3.13Å; Y86-S89 PolarHBondContact O-OG 3.24Å; Y86-Q187 WeakPolarHBondContact CE1-O 3.45Å; Y86-Q187 PolarHBondContact OH-OE1 3.31Å
87H89.4Confident93.2Very high145 Ų14577.5 Ų77.567%0.67138%0.383SS*.G310 helixtrans-65.9-24.9-18068.784000113.6S85S85-H87 VanDerWaalsContact C-N 3.34Å; S85-H87 PolarHBondContact O-N 2.89Å; S85-H87 PolarHBondContact OG-CD2 2.9Å; S85-H87 PolarHBondContact OG-CE1 3.47Å; S85-H87 PolarHBondContact OG-NE2 2.91Å
88R88.7Confident92.9Very high180 Ų18076.8 Ų76.868%0.67938%0.38SS*.G310 helixtrans-104.6-3173.7-78.1165.7-173.7-172.14.7113S85 Y86 T90S85-R88 CarbonylContact O-C 3.5Å; S85-R88 PolarHBondContact O-N 3.47Å; S85-R88 PolarHBondContact OG-N 2.8Å; Y86-R88 VanDerWaalsContact C-N 3.25Å; Y86-R88 PolarHBondContact O-N 2.91Å; R88-T90 HydrophobicContact CB-CG2 3.63Å; R88-T90 PolarHBondContact O-N 3.28Å
89S89.7Confident92.6Very high84 Ų8478.5 Ų78.559%0.58740%0.398SS*.THydrogen-bonded Turntrans46.242.3-170.8-63.10000113.2Y84 S85 Y86Y84-S89 WeakPolarHBondContact OH-CA 3.4Å; Y84-S89 PolarHBondContact OH-O 3.43Å; S85-S89 WeakPolarHBondContact O-CA 3.25Å; S85-S89 PolarHBondContact O-N 3.29Å; Y86-S89 PolarHBondContact O-N 2.94Å; Y86-S89 VanDerWaalsContact O-N 3.13Å; Y86-S89 PolarHBondContact O-OG 3.24Å
90T92.7Very high92Very high64 Ų6478 Ų7839%0.39340%0.397SS..EExtended strand (participates in β ladder)trans-142.5157-173.6-161.90000113.2S85 R88 V92S85-T90 WeakPolarHBondContact CB-O 3.19Å; S85-T90 PolarHBondContact N-O 2.68Å; S85-T90 PolarHBondContact O-N 2.8Å; S85-T90 VanDerWaalsContact O-N 3.17Å; R88-T90 HydrophobicContact CB-CG2 3.63Å; R88-T90 PolarHBondContact O-N 3.28Å; T90-V92 HydrophobicContact CG2-CG1 3.94Å
91W94.7Very high91.3Very high44 Ų4475.8 Ų75.817%0.16739%0.389CS..EExtended strand (participates in β ladder)trans-81.1130.2172.9-72.8101.3000110.5E41 Y82 Y84 M146 M181 V183 Q187E41-W91 HydrophobicContact CG-CZ2 4.21Å; E41-W91 WeakPolarHBondContact OE1-CZ2 3.3Å; Y82-W91 HydrophobicContact CD1-CB 4.33Å; Y84-W91 AromaticContact CD2-CD1 3.95Å; Y84-W91 AromaticContact CD2-CD2 3.71Å; Y84-W91 HydrophobicContact CD2-CD2 3.71Å; Y84-W91 AromaticContact CD2-CE2 3.6Å; Y84-W91 HydrophobicContact CD2-CE3 4.26Å; Y84-W91 AromaticContact CD2-CG 3.96Å; Y84-W91 HydrophobicContact CD2-CG 3.96Å; Y84-W91 HydrophobicContact CD2-CZ2 4.08Å; Y84-W91 AromaticContact CD2-NE1 3.72Å; Y84-W91 HydrophobicContact CE2-CG 4.47Å; Y84-W91 AromaticContact CE2-NE1 3.92Å; W91-M146 HydrophobicContact CH2-CE 3.89Å; W91-M146 HydrophobicContact CH2-SD 4.4Å; W91-M146 HydrophobicContact CZ3-CE 3.55Å; W91-M146 HydrophobicContact CZ3-SD 4.44Å; W91-M181 HydrophobicContact CB-CE 4.39Å; W91-M181 HydrophobicContact CD2-CE 3.65Å; W91-M181 HydrophobicContact CD2-CG 4.42Å; W91-M181 HydrophobicContact CE3-CE 3.8Å; W91-M181 HydrophobicContact CE3-CG 4.41Å; W91-M181 HydrophobicContact CE3-SD 4.39Å; W91-M181 HydrophobicContact CG-CE 3.93Å; W91-M181 HydrophobicContact CH2-CG 3.61Å; W91-M181 HydrophobicContact CH2-SD 4.47Å; W91-M181 HydrophobicContact CZ2-CB 4.2Å; W91-M181 HydrophobicContact CZ2-CG 3.65Å; W91-M181 HydrophobicContact CZ3-CE 4.26Å; W91-M181 HydrophobicContact CZ3-CG 4.01Å; W91-M181 HydrophobicContact CZ3-SD 4.27Å; W91-V183 HydrophobicContact CH2-CG1 3.62Å; W91-V183 HydrophobicContact CZ2-CG1 3.99Å; W91-Q187 HydrophobicContact CH2-CB 4.13Å; W91-Q187 HydrophobicContact CH2-CG 3.54Å; W91-Q187 HydrophobicContact CZ2-CB 3.97Å; W91-Q187 HydrophobicContact CZ2-CG 3.86Å; W91-Q187 HydrophobicContact CZ3-CG 4.48Å
92V95.1Very high90.6Very high31 Ų3176.3 Ų76.319%0.18841%0.405CS..EExtended strand (participates in β ladder)trans-125.7146.3176.9-58.60000110.5Y82 R83 T90 A94Y82-V92 CarbonylContact C-O 3.59Å; Y82-V92 WeakPolarHBondContact CA-O 3.26Å; R83-V92 HydrophobicContact CG-CG2 3.51Å; R83-V92 PolarHBondContact N-O 3.22Å; R83-V92 PolarHBondContact O-N 3.12Å; T90-V92 HydrophobicContact CG2-CG1 3.94Å; V92-A94 PolarHBondContact O-N 2.88Å
93V95.9Very high89.8Confident78 Ų7879.4 Ų79.447%0.47343%0.43SS..EExtended strand (participates in β ladder)trans-64.1127.2176.1-1790000108.8K80 Y82K80-V93 HydrophobicContact CB-CG1 4.32Å; K80-V93 HydrophobicContact CD-CG1 4.04Å; K80-V93 HydrophobicContact CD-CG2 3.72Å; K80-V93 HydrophobicContact CG-CG1 4.39Å; Y82-V93 HydrophobicContact CD1-CG2 4.36Å; Y82-V93 HydrophobicContact CE1-CG2 3.81Å
94A94.6Very high89.6Confident47 Ų4776.6 Ų76.639%0.38842%0.419SS..EExtended strand (participates in β ladder)trans-100.5-24.7177.200000112.2R81 R83 V92R81-A94 PolarHBondContact O-N 3.28Å; R83-A94 HydrophobicContact CB-CB 4.05Å; R83-A94 HydrophobicContact CG-CB 3.98Å; V92-A94 PolarHBondContact O-N 2.88Å
95G94.5Very high89.5Confident24 Ų2479.4 Ų79.425%0.24743%0.434CS..EExtended strand (participates in β ladder)trans168.1-170-178.100000112.8R81R81-G95 PolarHBondContact N-O 3.23Å; R81-G95 PolarHBondContact O-N 2.86Å
96P93Very high89.6Confident109 Ų10980.9 Ų80.971%0.70844%0.441SS*.EExtended strand (participates in β ladder)trans-63.6159.4173.329.6-35.2000111.2R81R81-P96 VanDerWaalsContact CB-O 3.25Å; R81-P96 WeakPolarHBondContact CB-O 3.23Å
97S89.2Confident89.8Confident32 Ų3277.6 Ų77.622%0.22444%0.438CS..PPolyproline II helixtrans-58.3147.3172.8-178.80000111.5F79 H147F79-S97 VanDerWaalsContact C-CB 3.43Å; F79-S97 PolarHBondContact O-N 3.43Å; F79-S97 VanDerWaalsContact O-N 3.08Å; S97-H147 WeakPolarHBondContact CA-NE2 3.17Å; S97-H147 PolarHBondContact OG-CD2 2.87Å; S97-H147 PolarHBondContact OG-NE2 3.37Å
98D87.7Confident90.2Very high63 Ų6371.5 Ų71.534%0.33741%0.41SS..PPolyproline II helixtrans-62.4159.1162.3-65.2-26.2000109.5E100 N144 H147D98-E100 PolarHBondContact O-N 2.86Å; D98-N144 HydrophobicContact CB-CB 4.49Å; D98-H147 PolarHBondContact N-NE2 3.1Å; D98-H147 VanDerWaalsContact N-NE2 3.1Å; D98-H147 IonicContact OD2-CE1 3.31Å; D98-H147 PolarHBondContact OD2-CE1 2.75Å; D98-H147 VanDerWaalsContact OD2-CE1 3.31Å
99P85.1Confident90.6Very high109 Ų10966.4 Ų66.471%0.70840%0.4SS*.PPolyproline II helixtrans-50.8138.8179.1-27.835.1000112.5L101 N144P99-L101 PolarHBondContact O-N 3.04Å; P99-N144 PolarHBondContact O-ND2 2.86Å
100E77.9Confident90.9Very high134 Ų13465.7 Ų65.763%0.62639%0.389SS*.PPolyproline II helixtrans-60.1132.9177.3-70.2-165136.800110.6F79 D98F79-E100 VanDerWaalsContact CE1-OE1 3.28Å; F79-E100 WeakPolarHBondContact CE1-OE1 3.45Å; D98-E100 PolarHBondContact O-N 2.86Å
101L80.6Confident91.1Very high39 Ų3964.3 Ų64.320%0.20438%0.382CS..PPolyproline II helixtrans-87150.7174.4-60-179.4000109.8P99 S103 Q134 V142 N144P99-L101 PolarHBondContact O-N 3.04Å; L101-S103 PolarHBondContact O-N 3.34Å; L101-Q134 HydrophobicContact CD1-CG 4.3Å; L101-Q134 HydrophobicContact CD2-CG 3.72Å; L101-V142 HydrophobicContact CD1-CB 4Å; L101-V142 HydrophobicContact CD1-CG1 3.47Å; L101-V142 VanDerWaalsContact CD1-CG1 3.47Å; L101-N144 VanDerWaalsContact CD1-OD1 3.32Å; L101-N144 WeakPolarHBondContact CD1-OD1 3.24Å
102P79.9Confident91.2Very high108 Ų10865.7 Ų65.770%0.70140%0.397SS*.PPolyproline II helixtrans-52.7118.1170.3-25.234.1000110.3R104P102-R104 PolarHBondContact O-N 3.16Å
103S79.5Confident91.3Very high84 Ų8464.7 Ų64.759%0.58739%0.392SS*.PPolyproline II helixtrans-61.5124.6179.2-176.60000109.7L101L101-S103 PolarHBondContact O-N 3.34Å
104R91.8Very high91.3Very high69 Ų6963.2 Ų63.226%0.2638%0.383SS..  trans-109.4143.6175.9-67.4-176.1-176.1-168.2-3.3109.3P102 D136 Y140 I141P102-R104 PolarHBondContact O-N 3.16Å; R104-D136 PolarHBondContact NH1-O 2.92Å; R104-D136 IonicContact NH1-OD2 3.1Å; R104-D136 PolarHBondContact NH1-OD2 3.02Å; R104-D136 PolarHBondContact NH2-O 2.86Å; R104-Y140 WeakPolarHBondContact CD-O 3.28Å; R104-Y140 PolarHBondContact NH1-O 2.93Å; R104-I141 HydrophobicContact CB-CG1 4.32Å; R104-I141 HydrophobicContact CB-CG2 4.37Å
105I93.9Very high91.5Very high75 Ų7561 Ų6139%0.38537%0.365SS..  trans-114.2137.7179.5-54.8-175.9000108.5M71 V72 D73 P107M71-I105 HydrophobicContact CB-CG2 3.68Å; M71-I105 HydrophobicContact CE-CD1 3.51Å; M71-I105 HydrophobicContact CE-CG2 3.66Å; M71-I105 HydrophobicContact CG-CG2 3.59Å; M71-I105 HydrophobicContact SD-CG2 3.61Å; V72-I105 WeakPolarHBondContact O-CA 3.29Å; D73-I105 HydrophobicContact CB-CG1 4.05Å; I105-P107 WeakPolarHBondContact O-CD 3.12Å
106H96.6Very high91.7Very high33 Ų3362 Ų6215%0.15337%0.368CS..EExtended strand (participates in β ladder)trans-105106.1175.3-177.275.7000110.4M71 V72 L128 I141M71-H106 CarbonylContact C-O 3.56Å; M71-H106 VanDerWaalsContact CA-O 3.29Å; M71-H106 WeakPolarHBondContact CA-O 3.42Å; M71-H106 WeakPolarHBondContact CB-O 3.49Å; V72-H106 PolarHBondContact N-O 3.3Å; V72-H106 PolarHBondContact O-N 2.78Å; H106-L128 HydrophobicContact CB-CD1 4.05Å; H106-L128 HydrophobicContact CB-CG 4.32Å; H106-I141 HydrophobicContact CB-CD1 3.62Å; H106-I141 HydrophobicContact CB-CG1 4.15Å
107P96.2Very high91.9Very high78 Ų7859.4 Ų59.451%0.50635%0.346SS..EExtended strand (participates in β ladder)trans-70139.1172.929.4-32.9000110.7M71 I105M71-P107 HydrophobicContact CB-CB 4.42Å; I105-P107 WeakPolarHBondContact O-CD 3.12Å
108H97.7Very high92.4Very high17 Ų1758.1 Ų58.18%0.07934%0.337CS..  trans-62.2137.7169.7-171.6-84000109.2I70 D110 S111 W118 N124 F125I70-H108 VanDerWaalsContact O-CB 3.24Å; I70-H108 WeakPolarHBondContact O-CB 3.32Å; I70-H108 PolarHBondContact O-N 3.22Å; H108-D110 IonicContact CE1-OD1 3.55Å; H108-D110 IonicContact CE1-OD2 3.69Å; H108-D110 WeakPolarHBondContact ND1-CB 3.29Å; H108-D110 PolarHBondContact ND1-N 2.86Å; H108-D110 VanDerWaalsContact ND1-N 3.16Å; H108-D110 IonicContact ND1-OD1 2.68Å; H108-D110 PolarHBondContact O-N 2.94Å; H108-D110 VanDerWaalsContact O-N 3.13Å; H108-S111 VanDerWaalsContact O-CB 3.23Å; H108-S111 WeakPolarHBondContact O-CB 3.35Å; H108-S111 PolarHBondContact O-N 3.5Å; H108-S111 PolarHBondContact O-OG 3.44Å; H108-W118 HydrophobicContact CB-CH2 3.96Å; H108-W118 HydrophobicContact CB-CZ3 4.46Å; H108-W118 AromaticContact CE1-CZ3 3.93Å; H108-W118 AromaticContact CG-CH2 3.84Å; H108-W118 AromaticContact CG-CZ3 3.95Å; H108-W118 AromaticContact ND1-CH2 3.47Å; H108-W118 WeakPolarHBondContact ND1-CH2 3.45Å; H108-W118 AromaticContact ND1-CZ3 3.55Å; H108-N124 PolarHBondContact NE2-O 3.12Å; H108-F125 HydrophobicContact CB-CE1 3.69Å; H108-F125 HydrophobicContact CB-CZ 4.09Å; H108-F125 AromaticContact CD2-CE1 3.88Å
109P96.7Very high92.9Very high73 Ų7358.3 Ų58.347%0.47434%0.336SS..THydrogen-bonded Turntrans-53.9-34.8-176.9-27.332.9000114.9S111 K127P109-S111 PolarHBondContact O-N 2.83Å; P109-K127 HydrophobicContact CG-CD 4.01Å
110D96.5Very high93.5Very high68 Ų6861.4 Ų61.436%0.36433%0.334SS..THydrogen-bonded Turntrans-75.4-3.5178.4-61.912.8000113.7H108 P112 A113 H117 W118H108-D110 IonicContact CE1-OD1 3.55Å; H108-D110 IonicContact CE1-OD2 3.69Å; H108-D110 WeakPolarHBondContact ND1-CB 3.29Å; H108-D110 PolarHBondContact ND1-N 2.86Å; H108-D110 VanDerWaalsContact ND1-N 3.16Å; H108-D110 IonicContact ND1-OD1 2.68Å; H108-D110 PolarHBondContact O-N 2.94Å; H108-D110 VanDerWaalsContact O-N 3.13Å; D110-P112 CarbonylContact O-C 3.58Å; D110-A113 WeakPolarHBondContact O-CB 3.42Å; D110-A113 PolarHBondContact O-N 2.92Å; D110-H117 IonicContact OD2-CE1 3.42Å; D110-H117 IonicContact OD2-NE2 3.86Å; D110-H117 PolarHBondContact OD2-NE2 3.29Å; D110-W118 HydrophobicContact CB-CH2 3.7Å; D110-W118 HydrophobicContact CB-CZ2 4.4Å; D110-W118 HydrophobicContact CB-CZ3 4.04Å
111S96Very high94.4Very high35 Ų3560.7 Ų60.725%0.24533%0.33CS..  trans-76.1134.9179.9-640000112I70 H108 P109 W118I70-S111 PolarHBondContact N-OG 3.16Å; I70-S111 PolarHBondContact O-OG 2.9Å; H108-S111 VanDerWaalsContact O-CB 3.23Å; H108-S111 WeakPolarHBondContact O-CB 3.35Å; H108-S111 PolarHBondContact O-N 3.5Å; H108-S111 PolarHBondContact O-OG 3.44Å; P109-S111 PolarHBondContact O-N 2.83Å; S111-W118 WeakPolarHBondContact OG-CZ2 3.3Å
112P96Very high95.2Very high74 Ų7461.8 Ų61.848%0.48134%0.339SS..SBendcis-84.9144.4-5.135-35.3000112.9Y68 D110 T158Y68-P112 WeakPolarHBondContact O-CA 3.31Å; D110-P112 CarbonylContact O-C 3.58Å; P112-T158 HydrophobicContact CB-CG2 3.86Å; P112-T158 WeakPolarHBondContact CB-OG1 3.28Å; P112-T158 HydrophobicContact CG-CG2 4.11Å
113A97.6Very high96.1Very high10 Ų1057 Ų578%0.08331%0.307CS..EExtended strand (participates in β ladder)trans-137.6164.817400000112.4L67 Y68 D110 H117 W118L67-A113 WeakPolarHBondContact CA-O 3.32Å; Y68-A113 PolarHBondContact N-O 2.81Å; Y68-A113 PolarHBondContact O-N 3.48Å; D110-A113 WeakPolarHBondContact O-CB 3.42Å; D110-A113 PolarHBondContact O-N 2.92Å; A113-H117 HydrophobicContact CB-CB 3.92Å; A113-H117 WeakPolarHBondContact CB-CD2 3.29Å; A113-W118 HydrophobicContact CB-CD2 4.4Å; A113-W118 HydrophobicContact CB-CZ2 3.99Å; A113-W118 PolarHBondContact O-NE1 2.9Å; A113-W118 VanDerWaalsContact O-NE1 3.1Å
114T97.4Very high96.9Very high47 Ų4755.1 Ų55.129%0.28829%0.291SS..EExtended strand (participates in β ladder)trans-69.7155.2-178.557.90000111.9T66 L67 S116 H117 W118T66-T114 CarbonylContact O-C 3.57Å; T66-T114 VanDerWaalsContact O-CA 3.24Å; T66-T114 WeakPolarHBondContact O-CA 3.14Å; L67-T114 HydrophobicContact CD2-CG2 3.86Å; T114-S116 PolarHBondContact O-N 3.1Å; T114-S116 PolarHBondContact OG1-OG 3.04Å; T114-H117 WeakPolarHBondContact O-CA 3.47Å; T114-H117 VanDerWaalsContact O-CB 3.3Å; T114-H117 WeakPolarHBondContact O-CB 3.4Å; T114-H117 PolarHBondContact O-N 3.36Å; T114-H117 PolarHBondContact OG1-N 3.35Å; T114-W118 PolarHBondContact O-N 3.02Å
115G97.5Very high97.2Very high0 Ų052.2 Ų52.20%028%0.28CS..Hα-helixtrans-56.5-35.717300000112.6D63 T66 H117 W118 M119D63-G115 WeakPolarHBondContact O-CA 3.35Å; T66-G115 PolarHBondContact O-N 3.27Å; G115-H117 VanDerWaalsContact C-N 3.32Å; G115-H117 PolarHBondContact O-N 2.92Å; G115-W118 PolarHBondContact O-N 3.19Å; G115-M119 WeakPolarHBondContact O-CB 3.32Å; G115-M119 VanDerWaalsContact O-CG 3.3Å; G115-M119 WeakPolarHBondContact O-CG 3.49Å; G115-M119 PolarHBondContact O-N 3.4Å
116S98.1Very high97.3Very high46 Ų4651.6 Ų51.632%0.32228%0.277SS..Hα-helixtrans-64.9-31.6173.3480000113.7A64 T114A64-S116 WeakPolarHBondContact O-CB 3.32Å; A64-S116 PolarHBondContact O-N 3.22Å; A64-S116 VanDerWaalsContact O-N 3.1Å; A64-S116 PolarHBondContact O-OG 3.31Å; T114-S116 PolarHBondContact O-N 3.1Å; T114-S116 PolarHBondContact OG1-OG 3.04Å
117H98.4Very high97.2Very high53 Ų5355.8 Ų55.825%0.24530%0.295CS..Hα-helixtrans-68.4-51.2172.2-179.682000110.9D110 A113 T114 G115 M119 R120D110-H117 IonicContact OD2-CE1 3.42Å; D110-H117 IonicContact OD2-NE2 3.86Å; D110-H117 PolarHBondContact OD2-NE2 3.29Å; A113-H117 HydrophobicContact CB-CB 3.92Å; A113-H117 WeakPolarHBondContact CB-CD2 3.29Å; T114-H117 WeakPolarHBondContact O-CA 3.47Å; T114-H117 VanDerWaalsContact O-CB 3.3Å; T114-H117 WeakPolarHBondContact O-CB 3.4Å; T114-H117 PolarHBondContact O-N 3.36Å; T114-H117 PolarHBondContact OG1-N 3.35Å; G115-H117 VanDerWaalsContact C-N 3.32Å; G115-H117 PolarHBondContact O-N 2.92Å; H117-M119 PolarHBondContact O-N 3.21Å; H117-R120 VanDerWaalsContact O-CB 3.25Å; H117-R120 WeakPolarHBondContact O-CB 3.41Å; H117-R120 PolarHBondContact O-N 3.09Å; H117-R120 VanDerWaalsContact O-N 3.16Å
118W98.3Very high97.2Very high5 Ų552.2 Ų52.22%0.01927%0.272CS..Hα-helixtrans-64.2-36.4-176.8-68.4123.5000114M62 Y68 I70 H108 D110 S111 A113 T114 G115 R120 I123M62-W118 HydrophobicContact CE-CB 4Å; M62-W118 HydrophobicContact CE-CG 4.08Å; M62-W118 HydrophobicContact SD-CB 3.58Å; M62-W118 VanDerWaalsContact SD-CB 3.58Å; M62-W118 HydrophobicContact SD-CG 4.31Å; Y68-W118 PolarHBondContact O-NE1 2.83Å; I70-W118 HydrophobicContact CB-CH2 4.2Å; I70-W118 HydrophobicContact CB-CZ2 4.22Å; I70-W118 HydrophobicContact CD1-CB 4.29Å; I70-W118 HydrophobicContact CD1-CD2 3.45Å; I70-W118 VanDerWaalsContact CD1-CD2 3.45Å; I70-W118 HydrophobicContact CD1-CE3 3.65Å; I70-W118 HydrophobicContact CD1-CG 3.78Å; I70-W118 HydrophobicContact CD1-CH2 4.38Å; I70-W118 HydrophobicContact CD1-CZ2 4.24Å; I70-W118 HydrophobicContact CD1-CZ3 4.11Å; I70-W118 HydrophobicContact CG1-CD2 4.02Å; I70-W118 HydrophobicContact CG1-CE3 4.37Å; I70-W118 HydrophobicContact CG1-CH2 4.26Å; I70-W118 HydrophobicContact CG1-CZ2 3.92Å; I70-W118 HydrophobicContact CG1-CZ3 4.48Å; H108-W118 HydrophobicContact CB-CH2 3.96Å; H108-W118 HydrophobicContact CB-CZ3 4.46Å; H108-W118 AromaticContact CE1-CZ3 3.93Å; H108-W118 AromaticContact CG-CH2 3.84Å; H108-W118 AromaticContact CG-CZ3 3.95Å; H108-W118 AromaticContact ND1-CH2 3.47Å; H108-W118 WeakPolarHBondContact ND1-CH2 3.45Å; H108-W118 AromaticContact ND1-CZ3 3.55Å; D110-W118 HydrophobicContact CB-CH2 3.7Å; D110-W118 HydrophobicContact CB-CZ2 4.4Å; D110-W118 HydrophobicContact CB-CZ3 4.04Å; S111-W118 WeakPolarHBondContact OG-CZ2 3.3Å; A113-W118 HydrophobicContact CB-CD2 4.4Å; A113-W118 HydrophobicContact CB-CZ2 3.99Å; A113-W118 PolarHBondContact O-NE1 2.9Å; A113-W118 VanDerWaalsContact O-NE1 3.1Å; T114-W118 PolarHBondContact O-N 3.02Å; G115-W118 PolarHBondContact O-N 3.19Å; W118-R120 VanDerWaalsContact C-N 3.28Å; W118-R120 PolarHBondContact O-N 2.89Å; W118-I123 HydrophobicContact CB-CD1 4.45Å; W118-I123 HydrophobicContact CE3-CD1 3.92Å; W118-I123 HydrophobicContact CE3-CG1 3.85Å; W118-I123 HydrophobicContact CE3-CG2 4.4Å; W118-I123 HydrophobicContact CZ3-CG1 4.31Å; W118-I123 HydrophobicContact CZ3-CG2 4.04Å
119M98.2Very high97.3Very high68 Ų6853.9 Ų53.934%0.33528%0.279SS..THydrogen-bonded Turntrans-81.2-5.5178.3-63.9-171.9-64.500113.5A59 G61 M62 G115 H117A59-M119 HydrophobicContact CB-CG 4.36Å; A59-M119 WeakPolarHBondContact O-CG 3.48Å; G61-M119 PolarHBondContact N-SD 3Å; M62-M119 HydrophobicContact CB-CE 4.08Å; M62-M119 HydrophobicContact CB-CG 4.01Å; M62-M119 HydrophobicContact CB-SD 3.76Å; M62-M119 HydrophobicContact CG-CG 4.04Å; M62-M119 HydrophobicContact CG-SD 4.19Å; M62-M119 PolarHBondContact N-SD 3.08Å; M62-M119 WeakPolarHBondContact O-CE 3.33Å; M62-M119 HydrophobicContact SD-CG 4.1Å; G115-M119 WeakPolarHBondContact O-CB 3.32Å; G115-M119 VanDerWaalsContact O-CG 3.3Å; G115-M119 WeakPolarHBondContact O-CG 3.49Å; G115-M119 PolarHBondContact O-N 3.4Å; H117-M119 PolarHBondContact O-N 3.21Å
120R98Very high97.3Very high174 Ų17450.5 Ų50.566%0.65726%0.256SS*.SBendtrans-72.9-32.9-175-164.4-172.4-48.7-96.3-4.3113H117 W118H117-R120 VanDerWaalsContact O-CB 3.25Å; H117-R120 WeakPolarHBondContact O-CB 3.41Å; H117-R120 PolarHBondContact O-N 3.09Å; H117-R120 VanDerWaalsContact O-N 3.16Å; W118-R120 VanDerWaalsContact C-N 3.28Å; W118-R120 PolarHBondContact O-N 2.89Å
121Q96.8Very high97.3Very high118 Ų11847.2 Ų47.255%0.55124%0.239SC*.SBendtrans-154173.3-17263.7-175.9-23.200111.1I123Q121-I123 PolarHBondContact O-N 3.37Å
122V98.3Very high97.3Very high63 Ų6348 Ų4838%0.38224%0.241SC..  trans-64.7130.9173.4177.20000110E27 Q56E27-V122 HydrophobicContact CB-CG1 4.46Å; E27-V122 HydrophobicContact CG-CG1 3.89Å; E27-V122 HydrophobicContact CG-CG2 3.93Å; Q56-V122 HydrophobicContact CB-CG1 3.86Å; Q56-V122 HydrophobicContact CG-CG1 4.43Å
123I98.5Very high97.2Very high6 Ų647 Ų473%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-86.3124.1174.4-55.9162.2000107.6Q56 V57 A59 I70 W118 Q121 F125Q56-I123 VanDerWaalsContact CA-O 3.32Å; Q56-I123 WeakPolarHBondContact CA-O 3.29Å; V57-I123 HydrophobicContact CG2-CB 3.95Å; V57-I123 HydrophobicContact CG2-CD1 4.23Å; V57-I123 HydrophobicContact CG2-CG2 4.48Å; V57-I123 PolarHBondContact N-O 3.02Å; V57-I123 WeakPolarHBondContact O-CB 3.41Å; V57-I123 PolarHBondContact O-N 3.37Å; A59-I123 HydrophobicContact CB-CD1 3.88Å; I70-I123 HydrophobicContact CD1-CD1 3.53Å; W118-I123 HydrophobicContact CB-CD1 4.45Å; W118-I123 HydrophobicContact CE3-CD1 3.92Å; W118-I123 HydrophobicContact CE3-CG1 3.85Å; W118-I123 HydrophobicContact CE3-CG2 4.4Å; W118-I123 HydrophobicContact CZ3-CG1 4.31Å; W118-I123 HydrophobicContact CZ3-CG2 4.04Å; Q121-I123 PolarHBondContact O-N 3.37Å; I123-F125 HydrophobicContact CG2-CE2 3.98Å; I123-F125 HydrophobicContact CG2-CZ 4.27Å
124N97.4Very high96.9Very high46 Ų4652.1 Ų52.125%0.24625%0.253CS..EExtended strand (participates in β ladder)trans-123.2123.7-171.8-168.8-5.2000111.8Q56 H108 D126Q56-N124 HydrophobicContact CG-CB 4.19Å; Q56-N124 WeakPolarHBondContact CG-OD1 3.26Å; H108-N124 PolarHBondContact NE2-O 3.12Å; N124-D126 VanDerWaalsContact C-N 3.3Å; N124-D126 PolarHBondContact O-N 3.02Å; N124-D126 WeakPolarHBondContact OD1-CB 3.25Å; N124-D126 PolarHBondContact OD1-N 3.17Å; N124-D126 VanDerWaalsContact OD1-N 3.1Å
125F97.5Very high96.5Very high7 Ų757.4 Ų57.43%0.03128%0.277CS..  trans-94.242.8174.3-66.4-84.3000112.1L55 I70 V72 H108 I123 K127 L128 I153L55-F125 HydrophobicContact CB-CB 4.19Å; L55-F125 HydrophobicContact CB-CD2 4.21Å; L55-F125 PolarHBondContact O-N 2.85Å; I70-F125 HydrophobicContact CG2-CZ 3.89Å; V72-F125 HydrophobicContact CB-CD1 4.44Å; V72-F125 HydrophobicContact CB-CE1 4.36Å; V72-F125 HydrophobicContact CG2-CD1 3.64Å; V72-F125 HydrophobicContact CG2-CD2 3.88Å; V72-F125 HydrophobicContact CG2-CE1 3.44Å; V72-F125 VanDerWaalsContact CG2-CE1 3.44Å; V72-F125 HydrophobicContact CG2-CE2 3.7Å; V72-F125 HydrophobicContact CG2-CG 3.85Å; V72-F125 HydrophobicContact CG2-CZ 3.48Å; V72-F125 VanDerWaalsContact CG2-CZ 3.48Å; H108-F125 HydrophobicContact CB-CE1 3.69Å; H108-F125 HydrophobicContact CB-CZ 4.09Å; H108-F125 AromaticContact CD2-CE1 3.88Å; I123-F125 HydrophobicContact CG2-CE2 3.98Å; I123-F125 HydrophobicContact CG2-CZ 4.27Å; F125-K127 VanDerWaalsContact C-N 3.26Å; F125-K127 PolarHBondContact O-N 3.1Å; F125-L128 HydrophobicContact CB-CB 4.07Å; F125-L128 HydrophobicContact CB-CD1 4.41Å; F125-L128 VanDerWaalsContact O-CB 3.25Å; F125-L128 WeakPolarHBondContact O-CB 3.39Å; F125-L128 PolarHBondContact O-N 3.49Å; F125-L128 VanDerWaalsContact O-N 3.16Å; F125-I153 HydrophobicContact CE2-CD1 4.34Å; F125-I153 HydrophobicContact CE2-CG2 4.28Å; F125-I153 HydrophobicContact CZ-CG2 4.35Å
126D95Very high96.2Very high62 Ų6257.7 Ų57.733%0.33228%0.278SS..THydrogen-bonded Turntrans-66.8-25.8-179.967.6-18.4000113.5R50 T54 N124R50-D126 WeakPolarHBondContact CD-O 3.42Å; R50-D126 WeakPolarHBondContact CG-O 3.41Å; R50-D126 PolarHBondContact NE-O 3.11Å; T54-D126 HydrophobicContact CG2-CB 4.33Å; N124-D126 VanDerWaalsContact C-N 3.3Å; N124-D126 PolarHBondContact O-N 3.02Å; N124-D126 WeakPolarHBondContact OD1-CB 3.25Å; N124-D126 PolarHBondContact OD1-N 3.17Å; N124-D126 VanDerWaalsContact OD1-N 3.1Å
127K95Very high96Very high122 Ų12260.8 Ų60.853%0.5330%0.297SS..THydrogen-bonded Turntrans-83.2-11.1175.2-69.5176.4-171.4173.90113.3P109 F125 K129P109-K127 HydrophobicContact CG-CD 4.01Å; F125-K127 VanDerWaalsContact C-N 3.26Å; F125-K127 PolarHBondContact O-N 3.1Å; K127-K129 PolarHBondContact O-N 3.38Å
128L97.3Very high95.7Very high2 Ų263 Ų631%0.0131%0.311CS..  trans-63.5129.5177.5-174.7154.3000109.6M51 V72 F74 H106 F125 I130 I141M51-L128 HydrophobicContact CG-CD2 4.14Å; M51-L128 HydrophobicContact SD-CD2 3.67Å; V72-L128 HydrophobicContact CB-CD1 3.75Å; V72-L128 HydrophobicContact CG1-CD1 3.64Å; V72-L128 HydrophobicContact CG2-CD1 4.36Å; F74-L128 HydrophobicContact CE2-CD1 4.38Å; F74-L128 HydrophobicContact CE2-CD2 3.99Å; F74-L128 HydrophobicContact CZ-CD1 4.12Å; F74-L128 HydrophobicContact CZ-CD2 3.78Å; H106-L128 HydrophobicContact CB-CD1 4.05Å; H106-L128 HydrophobicContact CB-CG 4.32Å; F125-L128 HydrophobicContact CB-CB 4.07Å; F125-L128 HydrophobicContact CB-CD1 4.41Å; F125-L128 VanDerWaalsContact O-CB 3.25Å; F125-L128 WeakPolarHBondContact O-CB 3.39Å; F125-L128 PolarHBondContact O-N 3.49Å; F125-L128 VanDerWaalsContact O-N 3.16Å; L128-I130 HydrophobicContact CD2-CG2 3.98Å; L128-I141 HydrophobicContact CD1-CD1 4.26Å
129K97.9Very high95.4Very high53 Ų5364.7 Ų64.723%0.2333%0.33CS..EExtended strand (participates in β ladder)trans-124.1141.7175.9-71.7-179.9175.5-172.10111.2R49 R50 K127 Y140 I141R49-K129 VanDerWaalsContact O-CA 3.28Å; R49-K129 WeakPolarHBondContact O-CA 3.31Å; R50-K129 HydrophobicContact CG-CG 4.02Å; K127-K129 PolarHBondContact O-N 3.38Å; K129-Y140 HydrophobicContact CB-CD1 3.81Å; K129-Y140 HydrophobicContact CB-CD2 4.27Å; K129-Y140 HydrophobicContact CB-CE1 4.14Å; K129-Y140 HydrophobicContact CB-CG 3.89Å; K129-Y140 HydrophobicContact CD-CD1 4.2Å; K129-Y140 HydrophobicContact CD-CD2 4.35Å; K129-Y140 HydrophobicContact CD-CE1 3.68Å; K129-Y140 HydrophobicContact CD-CE2 3.81Å; K129-Y140 VanDerWaalsContact CD-CZ 3.45Å; K129-Y140 HydrophobicContact CG-CE1 4.45Å; K129-Y140 PolarHBondContact NZ-OH 3.16Å; K129-Y140 VanDerWaalsContact NZ-OH 3.12Å; K129-I141 PolarHBondContact O-N 2.84Å
130I97.9Very high95.3Very high1 Ų163.9 Ų63.91%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-112.1144.4173.458.4173.5000110.4M42 V44 G48 R49 M51 F74 L128 I141 L143 F180M42-I130 HydrophobicContact CB-CD1 3.65Å; V44-I130 HydrophobicContact CG1-CB 4.25Å; V44-I130 HydrophobicContact CG1-CD1 3.78Å; V44-I130 HydrophobicContact CG1-CG1 3.98Å; G48-I130 CarbonylContact C-O 3.54Å; G48-I130 WeakPolarHBondContact CA-O 3.47Å; R49-I130 PolarHBondContact N-O 2.85Å; R49-I130 PolarHBondContact O-N 2.97Å; M51-I130 HydrophobicContact CG-CD1 4.25Å; M51-I130 HydrophobicContact CG-CG2 4.47Å; M51-I130 HydrophobicContact SD-CG2 4.47Å; F74-I130 HydrophobicContact CD2-CG2 4.39Å; F74-I130 HydrophobicContact CE2-CG2 3.65Å; F74-I130 HydrophobicContact CZ-CG2 4.08Å; L128-I130 HydrophobicContact CD2-CG2 3.98Å; I130-I141 CarbonylContact C-O 3.21Å; I130-I141 VanDerWaalsContact CA-O 3.31Å; I130-I141 WeakPolarHBondContact CA-O 3.32Å; I130-L143 HydrophobicContact CB-CD1 3.96Å; I130-L143 HydrophobicContact CD1-CD1 4.25Å; I130-L143 HydrophobicContact CG2-CD1 3.79Å; I130-F180 HydrophobicContact CD1-CE2 4.33Å
131T97.1Very high95.2Very high0 Ų055.8 Ų55.80%029%0.293CS..EExtended strand (participates in β ladder)trans-138.8156.3-176.2-177.30000111.2T45 K46 N133 D136 I141 V142 L143T45-T131 WeakPolarHBondContact O-CA 3.32Å; T45-T131 WeakPolarHBondContact O-CB 3.35Å; T45-T131 PolarHBondContact O-OG1 3.3Å; K46-T131 PolarHBondContact O-OG1 3.21Å; T131-N133 WeakPolarHBondContact OG1-CB 3.23Å; T131-N133 PolarHBondContact OG1-N 3.46Å; T131-D136 HydrophobicContact CG2-CB 3.81Å; T131-I141 PolarHBondContact N-O 3.19Å; T131-V142 HydrophobicContact CG2-CB 4.27Å; T131-V142 HydrophobicContact CG2-CG1 4.35Å; T131-V142 HydrophobicContact CG2-CG2 3.85Å; T131-V142 CarbonylContact O-C 3.53Å; T131-V142 VanDerWaalsContact O-CA 3.32Å; T131-V142 WeakPolarHBondContact O-CA 3.43Å; T131-L143 PolarHBondContact O-N 3.18Å
132N94.8Very high95.2Very high52 Ų5250.7 Ų50.728%0.27827%0.27SS..  trans-102.85.1167.867-18.7000112.5V44 K46 Q134V44-N132 HydrophobicContact CB-CB 4.06Å; V44-N132 HydrophobicContact CG2-CB 3.81Å; K46-N132 PolarHBondContact N-OD1 3.14Å; N132-Q134 PolarHBondContact O-N 2.76Å
133N94.3Very high95Very high53 Ų5347.9 Ų47.928%0.28325%0.253SS..  trans-79.8103.7174.7-179.111.4000109.9T131 M135 D136 V142T131-N133 WeakPolarHBondContact OG1-CB 3.23Å; T131-N133 PolarHBondContact OG1-N 3.46Å; N133-M135 PolarHBondContact O-N 2.87Å; N133-M135 PolarHBondContact OD1-N 2.94Å; N133-M135 VanDerWaalsContact OD1-N 3.11Å; N133-D136 HydrophobicContact CB-CB 4.18Å; N133-D136 VanDerWaalsContact O-CB 3.26Å; N133-D136 WeakPolarHBondContact O-CB 3.37Å; N133-D136 PolarHBondContact O-N 2.58Å; N133-V142 WeakPolarHBondContact O-CG1 3.33Å; N133-V142 WeakPolarHBondContact O-CG2 3.47Å
134Q90.3Very high94.9Very high116 Ų11648.2 Ų48.254%0.54226%0.255SS..THydrogen-bonded Turntrans-58.2-29178-64.1-178.8-11.900113.4L101 N132L101-Q134 HydrophobicContact CD1-CG 4.3Å; L101-Q134 HydrophobicContact CD2-CG 3.72Å; N132-Q134 PolarHBondContact O-N 2.76Å
135M90.2Very high94.8Very high159 Ų15947.2 Ų47.278%0.78325%0.251SS*.THydrogen-bonded Turntrans-10229178.1-55.7-57.3-70.400111.5N133 P137N133-M135 PolarHBondContact O-N 2.87Å; N133-M135 PolarHBondContact OD1-N 2.94Å; N133-M135 VanDerWaalsContact OD1-N 3.11Å; M135-P137 WeakPolarHBondContact O-CD 3.13Å
136D91.6Very high94.7Very high5 Ų548 Ų483%0.02726%0.255CS..  trans-59.5121.7-179.2172.370.1000111.4R104 T131 N133 N138 G139 Y140 V142R104-D136 PolarHBondContact NH1-O 2.92Å; R104-D136 IonicContact NH1-OD2 3.1Å; R104-D136 PolarHBondContact NH1-OD2 3.02Å; R104-D136 PolarHBondContact NH2-O 2.86Å; T131-D136 HydrophobicContact CG2-CB 3.81Å; N133-D136 HydrophobicContact CB-CB 4.18Å; N133-D136 VanDerWaalsContact O-CB 3.26Å; N133-D136 WeakPolarHBondContact O-CB 3.37Å; N133-D136 PolarHBondContact O-N 2.58Å; D136-N138 PolarHBondContact OD1-N 2.95Å; D136-N138 PolarHBondContact OD1-ND2 2.99Å; D136-N138 PolarHBondContact OD2-N 3.05Å; D136-N138 VanDerWaalsContact OD2-N 3.12Å; D136-G139 PolarHBondContact OD2-N 3.38Å; D136-Y140 PolarHBondContact OD2-N 3.44Å; D136-V142 HydrophobicContact CB-CG2 4.31Å
137P93.2Very high94.8Very high111 Ų11145.2 Ų45.272%0.72124%0.24SC*.THydrogen-bonded Turntrans-85.1-11.6179.935.1-36.1000113.1M135 G139M135-P137 WeakPolarHBondContact O-CD 3.13Å; P137-G139 VanDerWaalsContact C-N 3.32Å; P137-G139 PolarHBondContact O-N 3.48Å
138N92.9Very high94.9Very high99 Ų9942 Ų4253%0.52923%0.227SC..THydrogen-bonded Turntrans-84.3-6.7-172.4-57.1-72.7000113.6D136 Y140D136-N138 PolarHBondContact OD1-N 2.95Å; D136-N138 PolarHBondContact OD1-ND2 2.99Å; D136-N138 PolarHBondContact OD2-N 3.05Å; D136-N138 VanDerWaalsContact OD2-N 3.12Å; N138-Y140 VanDerWaalsContact C-N 3.3Å; N138-Y140 HydrophobicContact CB-CD1 4.01Å; N138-Y140 HydrophobicContact CB-CD2 3.86Å; N138-Y140 HydrophobicContact CB-CE1 3.78Å; N138-Y140 HydrophobicContact CB-CE2 3.65Å; N138-Y140 HydrophobicContact CB-CG 4.05Å
139G91.5Very high94.9Very high41 Ų4142.6 Ų42.642%0.42323%0.229SC..  trans74.619-174.500000113.4D136 P137D136-G139 PolarHBondContact OD2-N 3.38Å; P137-G139 VanDerWaalsContact C-N 3.32Å; P137-G139 PolarHBondContact O-N 3.48Å
140Y95.8Very high94.9Very high52 Ų5240.8 Ų40.820%0.20422%0.222CC..PPolyproline II helixtrans-67.6152171.2-58.9-24.8000109.9C47 R104 K129 D136 N138 V142C47-Y140 VanDerWaalsContact O-CE2 3.29Å; C47-Y140 WeakPolarHBondContact O-CE2 3Å; R104-Y140 WeakPolarHBondContact CD-O 3.28Å; R104-Y140 PolarHBondContact NH1-O 2.93Å; K129-Y140 HydrophobicContact CB-CD1 3.81Å; K129-Y140 HydrophobicContact CB-CD2 4.27Å; K129-Y140 HydrophobicContact CB-CE1 4.14Å; K129-Y140 HydrophobicContact CB-CG 3.89Å; K129-Y140 HydrophobicContact CD-CD1 4.2Å; K129-Y140 HydrophobicContact CD-CD2 4.35Å; K129-Y140 HydrophobicContact CD-CE1 3.68Å; K129-Y140 HydrophobicContact CD-CE2 3.81Å; K129-Y140 VanDerWaalsContact CD-CZ 3.45Å; K129-Y140 HydrophobicContact CG-CE1 4.45Å; K129-Y140 PolarHBondContact NZ-OH 3.16Å; K129-Y140 VanDerWaalsContact NZ-OH 3.12Å; D136-Y140 PolarHBondContact OD2-N 3.44Å; N138-Y140 VanDerWaalsContact C-N 3.3Å; N138-Y140 HydrophobicContact CB-CD1 4.01Å; N138-Y140 HydrophobicContact CB-CD2 3.86Å; N138-Y140 HydrophobicContact CB-CE1 3.78Å; N138-Y140 HydrophobicContact CB-CE2 3.65Å; N138-Y140 HydrophobicContact CB-CG 4.05Å; Y140-V142 PolarHBondContact O-N 3.03Å
141I96Very high94.9Very high4 Ų440.9 Ų40.92%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-74.3122.1179.6-57.7170.4000108.4F74 R104 H106 L128 K129 I130 T131 L143F74-I141 HydrophobicContact CD2-CB 4.1Å; F74-I141 HydrophobicContact CD2-CD1 3.73Å; F74-I141 HydrophobicContact CD2-CG2 3.6Å; F74-I141 HydrophobicContact CE2-CB 4.11Å; F74-I141 HydrophobicContact CE2-CD1 3.43Å; F74-I141 VanDerWaalsContact CE2-CD1 3.43Å; F74-I141 HydrophobicContact CE2-CG1 4.35Å; F74-I141 HydrophobicContact CE2-CG2 4.14Å; F74-I141 HydrophobicContact CZ-CD1 4.48Å; R104-I141 HydrophobicContact CB-CG1 4.32Å; R104-I141 HydrophobicContact CB-CG2 4.37Å; H106-I141 HydrophobicContact CB-CD1 3.62Å; H106-I141 HydrophobicContact CB-CG1 4.15Å; L128-I141 HydrophobicContact CD1-CD1 4.26Å; K129-I141 PolarHBondContact O-N 2.84Å; I130-I141 CarbonylContact C-O 3.21Å; I130-I141 VanDerWaalsContact CA-O 3.31Å; I130-I141 WeakPolarHBondContact CA-O 3.32Å; T131-I141 PolarHBondContact N-O 3.19Å; I141-L143 HydrophobicContact CG2-CD2 4.07Å
142V96.1Very high94.9Very high11 Ų1144.4 Ų44.47%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-90.2129.9-177.8-164.50000109.8L101 T131 N133 D136 Y140L101-V142 HydrophobicContact CD1-CB 4Å; L101-V142 HydrophobicContact CD1-CG1 3.47Å; L101-V142 VanDerWaalsContact CD1-CG1 3.47Å; T131-V142 HydrophobicContact CG2-CB 4.27Å; T131-V142 HydrophobicContact CG2-CG1 4.35Å; T131-V142 HydrophobicContact CG2-CG2 3.85Å; T131-V142 CarbonylContact O-C 3.53Å; T131-V142 VanDerWaalsContact O-CA 3.32Å; T131-V142 WeakPolarHBondContact O-CA 3.43Å; N133-V142 WeakPolarHBondContact O-CG1 3.33Å; N133-V142 WeakPolarHBondContact O-CG2 3.47Å; D136-V142 HydrophobicContact CB-CG2 4.31Å; Y140-V142 PolarHBondContact O-N 3.03Å
143L95.9Very high95.1Very high4 Ų442 Ų422%0.02122%0.223CC..  trans-129.4144178.6-54.1176.8000109.9V44 F74 I130 T131 I141 Y149 F180 A182V44-L143 HydrophobicContact CG1-CB 4.31Å; V44-L143 HydrophobicContact CG1-CD1 4.5Å; F74-L143 HydrophobicContact CB-CD2 3.93Å; F74-L143 HydrophobicContact CD2-CD1 4.37Å; F74-L143 HydrophobicContact CD2-CD2 4.12Å; F74-L143 HydrophobicContact CG-CD2 4.29Å; I130-L143 HydrophobicContact CB-CD1 3.96Å; I130-L143 HydrophobicContact CD1-CD1 4.25Å; I130-L143 HydrophobicContact CG2-CD1 3.79Å; T131-L143 PolarHBondContact O-N 3.18Å; I141-L143 HydrophobicContact CG2-CD2 4.07Å; L143-Y149 HydrophobicContact CB-CD2 4.34Å; L143-Y149 HydrophobicContact CB-CE2 3.74Å; L143-Y149 HydrophobicContact CD1-CD2 4.18Å; L143-Y149 HydrophobicContact CD1-CE2 4.41Å; L143-Y149 HydrophobicContact CD1-CG 4.46Å; L143-Y149 HydrophobicContact CD2-CD1 3.77Å; L143-Y149 HydrophobicContact CD2-CD2 4.23Å; L143-Y149 HydrophobicContact CD2-CE1 3.66Å; L143-Y149 HydrophobicContact CD2-CE2 4.12Å; L143-Y149 HydrophobicContact CD2-CG 4.06Å; L143-Y149 HydrophobicContact CG-CD2 4.5Å; L143-Y149 HydrophobicContact CG-CE2 4.31Å; L143-F180 HydrophobicContact CD1-CE2 3.93Å; L143-F180 HydrophobicContact CD1-CZ 3.71Å; L143-A182 HydrophobicContact CB-CB 4.26Å; L143-A182 HydrophobicContact CD1-CB 4.43Å
144N95Very high95.3Very high13 Ų1340.1 Ų40.17%0.0721%0.212CC..  trans-74.6134.2169.4-70.7-33.2000109D98 P99 L101 H147 Y149D98-N144 HydrophobicContact CB-CB 4.49Å; P99-N144 PolarHBondContact O-ND2 2.86Å; L101-N144 VanDerWaalsContact CD1-OD1 3.32Å; L101-N144 WeakPolarHBondContact CD1-OD1 3.24Å; N144-H147 WeakPolarHBondContact CB-ND1 3.47Å; N144-Y149 PolarHBondContact N-OH 3.48Å
145S95.3Very high95.6Very high24 Ų2434.6 Ų34.617%0.16819%0.186CC..THydrogen-bonded Turntrans-67.2153.2173.6-172.30000110.2H147 A182 V183 T184S145-H147 VanDerWaalsContact C-N 3.29Å; S145-H147 PolarHBondContact O-CE1 2.81Å; S145-H147 PolarHBondContact O-N 3.24Å; S145-H147 PolarHBondContact O-ND1 3.07Å; S145-A182 CarbonylContact C-O 3.55Å; S145-V183 WeakPolarHBondContact OG-CA 3.32Å; S145-T184 PolarHBondContact OG-N 3.23Å
146M96.4Very high95.8Very high24 Ų2428.4 Ų28.412%0.11816%0.158CC..THydrogen-bonded Turntrans65.127.4-179.3-42.6-57.2-79.200114.5R81 Y82 W91 A182 V183R81-M146 HydrophobicContact CG-CB 4.27Å; Y82-M146 PolarHBondContact N-O 2.79Å; Y82-M146 WeakPolarHBondContact O-CB 3.47Å; W91-M146 HydrophobicContact CH2-CE 3.89Å; W91-M146 HydrophobicContact CH2-SD 4.4Å; W91-M146 HydrophobicContact CZ3-CE 3.55Å; W91-M146 HydrophobicContact CZ3-SD 4.44Å; M146-A182 WeakPolarHBondContact CA-O 3.42Å; M146-A182 PolarHBondContact N-O 3.1Å; M146-V183 HydrophobicContact SD-CG1 4.17Å
147H96.4Very high95.9Very high4 Ų428.5 Ų28.52%0.01916%0.158CC..EExtended strand (participates in β ladder)trans-124.5151.5177.2-66.273.9000110.6K80 S97 D98 N144 S145 Y149 M181 A182K80-H147 PolarHBondContact O-CD2 3.04Å; S97-H147 WeakPolarHBondContact CA-NE2 3.17Å; S97-H147 PolarHBondContact OG-CD2 2.87Å; S97-H147 PolarHBondContact OG-NE2 3.37Å; D98-H147 PolarHBondContact N-NE2 3.1Å; D98-H147 VanDerWaalsContact N-NE2 3.1Å; D98-H147 IonicContact OD2-CE1 3.31Å; D98-H147 PolarHBondContact OD2-CE1 2.75Å; D98-H147 VanDerWaalsContact OD2-CE1 3.31Å; N144-H147 WeakPolarHBondContact CB-ND1 3.47Å; S145-H147 VanDerWaalsContact C-N 3.29Å; S145-H147 PolarHBondContact O-CE1 2.81Å; S145-H147 PolarHBondContact O-N 3.24Å; S145-H147 PolarHBondContact O-ND1 3.07Å; H147-Y149 HydrophobicContact CB-CD2 4.48Å; H147-Y149 HydrophobicContact CB-CE2 3.67Å; H147-Y149 WeakPolarHBondContact O-CD2 3.47Å; H147-M181 VanDerWaalsContact C-SD 3.5Å; H147-A182 PolarHBondContact O-N 2.73Å
148Q96.8Very high95.4Very high53 Ų5326.2 Ų26.225%0.24814%0.142CC..EExtended strand (participates in β ladder)trans-93.8136.1178.5-67.9-178.9-59.600110.9L77 Y82 F180 M181L77-Q148 HydrophobicContact CB-CB 3.88Å; L77-Q148 HydrophobicContact CD1-CB 3.95Å; L77-Q148 HydrophobicContact CG-CB 4.45Å; L77-Q148 PolarHBondContact N-O 2.9Å; Y82-Q148 HydrophobicContact CD2-CG 4.37Å; Y82-Q148 HydrophobicContact CE2-CG 4.14Å; Y82-Q148 PolarHBondContact OH-OE1 2.68Å; Q148-F180 WeakPolarHBondContact CA-O 3.35Å; Q148-M181 HydrophobicContact CG-CE 3.27Å; Q148-M181 HydrophobicContact CG-SD 3.67Å
149Y97.3Very high94.7Very high15 Ų1529.4 Ų29.46%0.05915%0.151CC..EExtended strand (participates in β ladder)trans-129.9141.7-178.7-68.1-81.8000111.2F74 V75 P76 L143 N144 H147 A179 F180 A182F74-Y149 HydrophobicContact CB-CD1 4.15Å; F74-Y149 HydrophobicContact CB-CG 4.46Å; V75-Y149 CarbonylContact O-C 3.58Å; V75-Y149 WeakPolarHBondContact O-CA 3.47Å; P76-Y149 HydrophobicContact CB-CE1 4.48Å; P76-Y149 HydrophobicContact CG-CE1 4.12Å; L143-Y149 HydrophobicContact CB-CD2 4.34Å; L143-Y149 HydrophobicContact CB-CE2 3.74Å; L143-Y149 HydrophobicContact CD1-CD2 4.18Å; L143-Y149 HydrophobicContact CD1-CE2 4.41Å; L143-Y149 HydrophobicContact CD1-CG 4.46Å; L143-Y149 HydrophobicContact CD2-CD1 3.77Å; L143-Y149 HydrophobicContact CD2-CD2 4.23Å; L143-Y149 HydrophobicContact CD2-CE1 3.66Å; L143-Y149 HydrophobicContact CD2-CE2 4.12Å; L143-Y149 HydrophobicContact CD2-CG 4.06Å; L143-Y149 HydrophobicContact CG-CD2 4.5Å; L143-Y149 HydrophobicContact CG-CE2 4.31Å; N144-Y149 PolarHBondContact N-OH 3.48Å; H147-Y149 HydrophobicContact CB-CD2 4.48Å; H147-Y149 HydrophobicContact CB-CE2 3.67Å; H147-Y149 WeakPolarHBondContact O-CD2 3.47Å; Y149-A179 WeakPolarHBondContact O-CA 3.29Å; Y149-F180 HydrophobicContact CD2-CE2 4.41Å; Y149-F180 PolarHBondContact N-O 2.93Å; Y149-F180 PolarHBondContact O-N 2.7Å; Y149-A182 HydrophobicContact CD2-CB 3.93Å; Y149-A182 HydrophobicContact CE2-CB 3.84Å
150Q97.7Very high93.7Very high16 Ų1632.7 Ų32.78%0.07515%0.154CC..EExtended strand (participates in β ladder)trans-105115.2170.6176.560.665.800109.1V75 L77 V174 F175 T178V75-Q150 HydrophobicContact CG2-CB 3.88Å; V75-Q150 HydrophobicContact CG2-CG 4.42Å; V75-Q150 PolarHBondContact N-O 2.84Å; V75-Q150 PolarHBondContact O-N 3.47Å; L77-Q150 HydrophobicContact CD2-CB 3.77Å; L77-Q150 HydrophobicContact CG-CB 3.92Å; Q150-V174 VanDerWaalsContact CD-CG1 3.42Å; Q150-V174 HydrophobicContact CG-CG1 3.53Å; Q150-F175 PolarHBondContact NE2-O 3.32Å; Q150-T178 PolarHBondContact NE2-OG1 3.42Å
151P98.2Very high92.5Very high3 Ų333 Ų332%0.01916%0.164CC..EExtended strand (participates in β ladder)trans-62.8139.9168.9-18.228.9000111.4L55 F74 T178 F180L55-P151 HydrophobicContact CD1-CB 3.88Å; L55-P151 HydrophobicContact CD1-CG 4.44Å; L55-P151 HydrophobicContact CD2-CB 4.34Å; F74-P151 HydrophobicContact CD1-CB 3.82Å; F74-P151 HydrophobicContact CD1-CG 3.82Å; F74-P151 HydrophobicContact CE1-CB 3.7Å; F74-P151 HydrophobicContact CE1-CG 3.7Å; P151-T178 VanDerWaalsContact CD-O 3.29Å; P151-T178 WeakPolarHBondContact CD-O 3.5Å; P151-T178 VanDerWaalsContact CG-O 3.3Å; P151-T178 WeakPolarHBondContact CG-O 3.45Å; P151-T178 WeakPolarHBondContact CG-OG1 3.35Å; P151-F180 HydrophobicContact CG-CD1 4.12Å; P151-F180 HydrophobicContact CG-CE1 3.99Å
152R98Very high91.3Very high74 Ų7440.5 Ų40.528%0.27920%0.204SC..EExtended strand (participates in β ladder)trans-128.8139.6168.9-43.8-173.3-63.6-173-4.4109.8V72 D73 V75 F173 V174V72-R152 VanDerWaalsContact CA-O 3.31Å; V72-R152 WeakPolarHBondContact CA-O 3.41Å; D73-R152 PolarHBondContact N-O 2.92Å; D73-R152 PolarHBondContact O-N 2.9Å; D73-R152 WeakPolarHBondContact OD1-CB 3.31Å; D73-R152 IonicContact OD1-CZ 2.84Å; D73-R152 IonicContact OD1-NE 3.8Å; D73-R152 PolarHBondContact OD1-NE 2.9Å; D73-R152 IonicContact OD1-NH2 3.88Å; D73-R152 PolarHBondContact OD1-NH2 3.29Å; D73-R152 IonicContact OD2-CZ 3.62Å; D73-R152 IonicContact OD2-NE 3.47Å; D73-R152 IonicContact OD2-NH2 3.58Å; D73-R152 PolarHBondContact OD2-NH2 2.68Å; V75-R152 HydrophobicContact CG2-CG 4.19Å; R152-F173 WeakPolarHBondContact CA-O 3.5Å; R152-V174 HydrophobicContact CB-CG2 4.37Å; R152-V174 HydrophobicContact CG-CG2 3.99Å
153I98.5Very high89.9Confident2 Ų250.6 Ų50.61%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-108.4123176-47.9-172.2000107.9L24 V57 I70 M71 V72 F125 S172 F173 F175L24-I153 HydrophobicContact CD1-CB 4Å; L24-I153 HydrophobicContact CD1-CG2 3.65Å; V57-I153 HydrophobicContact CB-CD1 4.44Å; V57-I153 HydrophobicContact CG1-CD1 3.47Å; V57-I153 VanDerWaalsContact CG1-CD1 3.47Å; V57-I153 HydrophobicContact CG2-CD1 4.07Å; I70-I153 HydrophobicContact CG2-CG2 3.69Å; M71-I153 CarbonylContact O-C 3.48Å; M71-I153 WeakPolarHBondContact O-CA 3.49Å; V72-I153 HydrophobicContact CG2-CG1 4.13Å; V72-I153 HydrophobicContact CG2-CG2 4.44Å; F125-I153 HydrophobicContact CE2-CD1 4.34Å; F125-I153 HydrophobicContact CE2-CG2 4.28Å; F125-I153 HydrophobicContact CZ-CG2 4.35Å; I153-S172 CarbonylContact O-C 3.5Å; I153-S172 WeakPolarHBondContact O-CA 3.49Å; I153-F173 PolarHBondContact N-O 3.13Å; I153-F173 PolarHBondContact O-N 3.16Å; I153-F175 HydrophobicContact CD1-CD2 4.48Å; I153-F175 HydrophobicContact CD1-CE2 4.06Å
154H97.4Very high88.6Confident12 Ų1251.9 Ų51.96%0.05625%0.248CC..EExtended strand (participates in β ladder)trans-104.5129.8179.9-52.2-76.4000109.8I70 M71 D73 T156 R171 S172I70-H154 VanDerWaalsContact CA-O 3.29Å; I70-H154 WeakPolarHBondContact CA-O 3.49Å; M71-H154 HydrophobicContact CE-CB 4.29Å; M71-H154 HydrophobicContact CG-CB 3.84Å; M71-H154 PolarHBondContact N-O 3.39Å; M71-H154 PolarHBondContact O-N 2.82Å; D73-H154 IonicContact OD1-CE1 2.9Å; D73-H154 IonicContact OD1-NE2 3.74Å; D73-H154 PolarHBondContact OD1-NE2 3.16Å; D73-H154 VanDerWaalsContact OD1-NE2 3.1Å; D73-H154 IonicContact OD2-NE2 3.17Å; D73-H154 PolarHBondContact OD2-NE2 3.21Å; H154-T156 HydrophobicContact CB-CG2 4.45Å; H154-R171 WeakPolarHBondContact CA-O 3.42Å; H154-S172 PolarHBondContact CE1-OG 3.42Å; H154-S172 VanDerWaalsContact CE1-OG 3.32Å; H154-S172 WeakPolarHBondContact ND1-CB 3.43Å; H154-S172 PolarHBondContact ND1-OG 3.32Å
155V97.9Very high87.5Confident0 Ų054.1 Ų54.10%027%0.268CS..EExtended strand (participates in β ladder)trans-105.9119.7167.2-177.40000107.8L19 V22 L24 M62 Y68 G69 I70 A170 R171 F173L19-V155 HydrophobicContact CD2-CB 4.43Å; L19-V155 HydrophobicContact CD2-CG1 3.93Å; V22-V155 HydrophobicContact CG1-CG1 4.27Å; V22-V155 HydrophobicContact CG1-CG2 4.27Å; L24-V155 HydrophobicContact CD1-CG2 3.99Å; L24-V155 HydrophobicContact CD2-CG2 4.34Å; L24-V155 HydrophobicContact CG-CG2 4.35Å; M62-V155 HydrophobicContact CE-CG1 3.9Å; Y68-V155 HydrophobicContact CD1-CG1 3.74Å; Y68-V155 HydrophobicContact CE1-CG1 4.49Å; Y68-V155 HydrophobicContact CG-CG1 4.33Å; G69-V155 CarbonylContact O-C 3.58Å; G69-V155 WeakPolarHBondContact O-CA 3.24Å; I70-V155 HydrophobicContact CD1-CG2 4.41Å; I70-V155 HydrophobicContact CG1-CG2 4.29Å; V155-A170 CarbonylContact O-C 3.57Å; V155-A170 WeakPolarHBondContact O-CA 3.35Å; V155-R171 PolarHBondContact N-O 2.94Å; V155-R171 PolarHBondContact O-N 3.45Å; V155-F173 HydrophobicContact CB-CE2 4.19Å; V155-F173 HydrophobicContact CG2-CD2 4.12Å; V155-F173 HydrophobicContact CG2-CE2 3.69Å
156T95.1Very high86.6Confident30 Ų3056.1 Ų56.118%0.18429%0.286CS..EExtended strand (participates in β ladder)trans-119.2150-175.565.50000111.3Y68 G69 M71 H154 I169 A170Y68-T156 CarbonylContact C-O 3.56Å; Y68-T156 WeakPolarHBondContact CA-O 3.39Å; G69-T156 PolarHBondContact N-O 2.88Å; G69-T156 PolarHBondContact O-N 2.79Å; G69-T156 PolarHBondContact O-OG1 2.83Å; M71-T156 HydrophobicContact CE-CG2 4.48Å; H154-T156 HydrophobicContact CB-CG2 4.45Å; T156-I169 CarbonylContact C-O 3.56Å; T156-I169 WeakPolarHBondContact CA-O 3.44Å; T156-A170 HydrophobicContact CG2-CB 3.74Å
157L91.9Very high85.8Confident7 Ų759 Ų594%0.03730%0.296CS..EExtended strand (participates in β ladder)trans-85.6124.3168.9-69.1172.1000109.2H16 K18 L19 T66 Y68 F160 I169H16-L157 HydrophobicContact CB-CD1 3.93Å; H16-L157 VanDerWaalsContact CG-CD1 3.49Å; H16-L157 VanDerWaalsContact ND1-CD1 3.3Å; H16-L157 WeakPolarHBondContact ND1-CD1 3.44Å; K18-L157 HydrophobicContact CB-CD1 4.4Å; K18-L157 HydrophobicContact CB-CD2 4.25Å; L19-L157 HydrophobicContact CD1-CD1 4.1Å; L19-L157 HydrophobicContact CD1-CG 4.05Å; L19-L157 HydrophobicContact CD2-CG 4.28Å; L19-L157 HydrophobicContact CG-CD1 4.11Å; L19-L157 HydrophobicContact CG-CG 4Å; T66-L157 HydrophobicContact CG2-CD2 3.45Å; T66-L157 VanDerWaalsContact CG2-CD2 3.45Å; Y68-L157 HydrophobicContact CD1-CD2 3.69Å; Y68-L157 HydrophobicContact CE1-CD2 3.43Å; Y68-L157 VanDerWaalsContact CE1-CD2 3.43Å; Y68-L157 HydrophobicContact CE1-CG 4.46Å; L157-F160 WeakPolarHBondContact O-CD1 3.35Å; L157-I169 PolarHBondContact N-O 3.31Å
158T82.9Confident85Confident62 Ų6262.6 Ų62.638%0.3831%0.313SS..SBendtrans-84.1-29.4-177.2-40.80000112.6L67 G69 P112L67-T158 PolarHBondContact O-N 3.27Å; G69-T158 PolarHBondContact N-OG1 3.49Å; P112-T158 HydrophobicContact CB-CG2 3.86Å; P112-T158 WeakPolarHBondContact CB-OG1 3.28Å; P112-T158 HydrophobicContact CG-CG2 4.11Å
159K78.5Confident84.6Confident166 Ų16662.5 Ų62.572%0.72231%0.314SS*.SBendtrans-113.9109.8175-67.2-175178.4179.50108.6L67L67-K159 HydrophobicContact CD1-CD 4.18Å
160F71.4Confident84.3Confident110 Ų11063.5 Ų63.548%0.48233%0.325SS..  trans-134.2146.617358.4-88.1000108.3L157 D164 I169L157-F160 WeakPolarHBondContact O-CD1 3.35Å; F160-D164 HydrophobicContact CB-CB 3.99Å; F160-I169 HydrophobicContact CB-CG2 4.05Å; F160-I169 HydrophobicContact CD1-CB 4.46Å; F160-I169 HydrophobicContact CD1-CD1 3.7Å; F160-I169 HydrophobicContact CD1-CG2 4.3Å; F160-I169 HydrophobicContact CD2-CD1 4.31Å; F160-I169 HydrophobicContact CD2-CG2 4.25Å; F160-I169 HydrophobicContact CE1-CD1 3.32Å; F160-I169 HydrophobicContact CE2-CD1 3.97Å; F160-I169 HydrophobicContact CG-CD1 4.19Å; F160-I169 HydrophobicContact CG-CG2 3.94Å; F160-I169 HydrophobicContact CZ-CD1 3.47Å; F160-I169 VanDerWaalsContact CZ-CD1 3.47Å
161S71Confident84.1Confident60 Ų6065.7 Ų65.742%0.4233%0.333SS..  trans-95.8168178.966.20000110.7R163 D164S161-R163 PolarHBondContact O-N 3.23Å; S161-R163 VanDerWaalsContact O-N 3.12Å; S161-R163 PolarHBondContact OG-N 2.94Å; S161-D164 PolarHBondContact N-OD2 3.06Å; S161-D164 WeakPolarHBondContact O-CA 3.47Å; S161-D164 WeakPolarHBondContact O-CB 3.46Å; S161-D164 PolarHBondContact O-N 3.01Å; S161-D164 PolarHBondContact OG-OD2 3.1Å
162D69.5Low84Confident160 Ų16068.5 Ų68.586%0.85635%0.353SS*.G310 helixtrans-57.9-26.8173.6-64.7-30.2000112.6D164 A165D162-D164 PolarHBondContact O-N 2.88Å; D162-A165 WeakPolarHBondContact O-CB 3.25Å; D162-A165 PolarHBondContact O-N 2.99Å
163R66.8Low84Confident224 Ų22466 Ų6685%0.84534%0.344SS*.G310 helixtrans-66-22.3174.3-61-167.2-173.7-95.22112.7S161 A165S161-R163 PolarHBondContact O-N 3.23Å; S161-R163 VanDerWaalsContact O-N 3.12Å; S161-R163 PolarHBondContact OG-N 2.94Å; R163-A165 VanDerWaalsContact C-N 3.31Å
164D69Low84Confident31 Ų3169.4 Ų69.417%0.16636%0.364CS..G310 helixtrans-85.9-4.2179.1-56.1-48.9000112.5H16 F160 S161 D162 A166 Y167H16-D164 IonicContact CD2-OD1 3.37Å; H16-D164 IonicContact NE2-OD1 3.96Å; H16-D164 PolarHBondContact NE2-OD1 3.49Å; F160-D164 HydrophobicContact CB-CB 3.99Å; S161-D164 PolarHBondContact N-OD2 3.06Å; S161-D164 WeakPolarHBondContact O-CA 3.47Å; S161-D164 WeakPolarHBondContact O-CB 3.46Å; S161-D164 PolarHBondContact O-N 3.01Å; S161-D164 PolarHBondContact OG-OD2 3.1Å; D162-D164 PolarHBondContact O-N 2.88Å; D164-A166 PolarHBondContact O-N 2.97Å; D164-Y167 PolarHBondContact O-N 3.37Å
165A72.3Confident84Confident60 Ų6070.1 Ų70.150%0.49637%0.367SS..G310 helixtrans-59.3-21.6179.500000113.4K13 D162 R163 Y167K13-A165 WeakPolarHBondContact CE-O 3.35Å; K13-A165 PolarHBondContact NZ-O 3.41Å; D162-A165 WeakPolarHBondContact O-CB 3.25Å; D162-A165 PolarHBondContact O-N 2.99Å; R163-A165 VanDerWaalsContact C-N 3.31Å; A165-Y167 VanDerWaalsContact C-N 3.29Å
166A75.5Confident84Confident66 Ų6674.5 Ų74.555%0.54540%0.396SS..G310 helixtrans-73.4-17.9173.900000113.7K13 D164K13-A166 WeakPolarHBondContact CB-O 3.3Å; D164-A166 PolarHBondContact O-N 2.97Å
167Y78.9Confident84.1Confident83 Ų8375.6 Ų75.633%0.32540%0.399SS..EExtended strand (participates in β ladder)trans-105.1156.8-175.9-61.6-78.2000112.7L14 H16 D164 A165 I169L14-Y167 HydrophobicContact CB-CD1 4.02Å; L14-Y167 HydrophobicContact CB-CE1 4.23Å; L14-Y167 CarbonylContact O-C 3.51Å; L14-Y167 VanDerWaalsContact O-CA 3.25Å; L14-Y167 WeakPolarHBondContact O-CA 3.47Å; H16-Y167 HydrophobicContact CB-CG 4.39Å; D164-Y167 PolarHBondContact O-N 3.37Å; A165-Y167 VanDerWaalsContact C-N 3.29Å; Y167-I169 PolarHBondContact O-N 3.47Å
168Q81.3Confident84.4Confident80 Ų8075.3 Ų75.337%0.37440%0.397SS..EExtended strand (participates in β ladder)trans-74.8116.8162.9-58.4-176.612.500108.8K13 L14 H16 A170K13-Q168 HydrophobicContact CB-CG 3.69Å; K13-Q168 WeakPolarHBondContact O-CG 3.37Å; K13-Q168 PolarHBondContact O-NE2 2.82Å; L14-Q168 PolarHBondContact O-N 3.01Å; H16-Q168 WeakPolarHBondContact CB-O 3.48Å; H16-Q168 PolarHBondContact N-O 3.4Å; H16-Q168 VanDerWaalsContact N-O 3.14Å; Q168-A170 PolarHBondContact O-N 3.3Å
169I87.3Confident85.2Confident52 Ų5273.3 Ų73.327%0.26739%0.387SS..SBendtrans-86.16.8178.160.7165.2000113L19 T156 L157 F160 Y167L19-I169 WeakPolarHBondContact CD1-O 3.23Å; T156-I169 CarbonylContact C-O 3.56Å; T156-I169 WeakPolarHBondContact CA-O 3.44Å; L157-I169 PolarHBondContact N-O 3.31Å; F160-I169 HydrophobicContact CB-CG2 4.05Å; F160-I169 HydrophobicContact CD1-CB 4.46Å; F160-I169 HydrophobicContact CD1-CD1 3.7Å; F160-I169 HydrophobicContact CD1-CG2 4.3Å; F160-I169 HydrophobicContact CD2-CD1 4.31Å; F160-I169 HydrophobicContact CD2-CG2 4.25Å; F160-I169 HydrophobicContact CE1-CD1 3.32Å; F160-I169 HydrophobicContact CE2-CD1 3.97Å; F160-I169 HydrophobicContact CG-CD1 4.19Å; F160-I169 HydrophobicContact CG-CG2 3.94Å; F160-I169 HydrophobicContact CZ-CD1 3.47Å; F160-I169 VanDerWaalsContact CZ-CD1 3.47Å; Y167-I169 PolarHBondContact O-N 3.47Å
170A90.5Very high86.1Confident35 Ų3565.7 Ų65.729%0.28935%0.354SS..EExtended strand (participates in β ladder)trans-136.9142.3179.100000109.9V155 T156 Q168V155-A170 CarbonylContact O-C 3.57Å; V155-A170 WeakPolarHBondContact O-CA 3.35Å; T156-A170 HydrophobicContact CG2-CB 3.74Å; Q168-A170 PolarHBondContact O-N 3.3Å
171R94.2Very high87.4Confident63 Ų6360.6 Ų60.624%0.23833%0.332CS..EExtended strand (participates in β ladder)trans-126.3129.8170.4-177.3174178.4177-0.1109.3L19 Q20 V22 H154 V155 F173L19-R171 HydrophobicContact CB-CB 4.35Å; L19-R171 VanDerWaalsContact O-CD 3.29Å; L19-R171 WeakPolarHBondContact O-CD 3.3Å; L19-R171 PolarHBondContact O-NH1 3.44Å; Q20-R171 PolarHBondContact O-NH1 2.83Å; V22-R171 VanDerWaalsContact O-CZ 3.22Å; V22-R171 PolarHBondContact O-NH1 3.2Å; H154-R171 WeakPolarHBondContact CA-O 3.42Å; V155-R171 PolarHBondContact N-O 2.94Å; V155-R171 PolarHBondContact O-N 3.45Å; R171-F173 HydrophobicContact CB-CE2 4.23Å; R171-F173 HydrophobicContact CG-CE2 3.83Å; R171-F173 HydrophobicContact CG-CZ 3.84Å
172S96Very high88.7Confident62 Ų6257.8 Ų57.843%0.43431%0.312SS..EExtended strand (participates in β ladder)trans-102.8137.1-178.1-50.80000110.6I153 H154I153-S172 CarbonylContact O-C 3.5Å; I153-S172 WeakPolarHBondContact O-CA 3.49Å; H154-S172 PolarHBondContact CE1-OG 3.42Å; H154-S172 VanDerWaalsContact CE1-OG 3.32Å; H154-S172 WeakPolarHBondContact ND1-CB 3.43Å; H154-S172 PolarHBondContact ND1-OG 3.32Å
173F98.1Very high90Very high22 Ų2250.1 Ų50.110%0.09627%0.271CS..EExtended strand (participates in β ladder)trans-117.9133.1176.9-61.2-93.5000109V22 L24 R152 I153 V155 R171 F175V22-F173 HydrophobicContact CB-CZ 4.34Å; V22-F173 HydrophobicContact CG1-CE2 4.28Å; V22-F173 HydrophobicContact CG1-CZ 3.95Å; V22-F173 WeakPolarHBondContact O-CE1 3.29Å; V22-F173 VanDerWaalsContact O-CZ 3.23Å; V22-F173 WeakPolarHBondContact O-CZ 3.43Å; L24-F173 HydrophobicContact CB-CB 4.4Å; L24-F173 HydrophobicContact CB-CD1 4.07Å; L24-F173 HydrophobicContact CB-CD2 4.45Å; L24-F173 HydrophobicContact CB-CE1 4.5Å; L24-F173 HydrophobicContact CB-CG 4.05Å; L24-F173 HydrophobicContact CD1-CB 4.02Å; L24-F173 HydrophobicContact CD1-CD2 3.5Å; L24-F173 VanDerWaalsContact CD1-CD2 3.5Å; L24-F173 HydrophobicContact CD1-CE2 4.09Å; L24-F173 HydrophobicContact CD1-CG 3.77Å; L24-F173 HydrophobicContact CG-CB 4.47Å; L24-F173 HydrophobicContact CG-CD1 4.16Å; L24-F173 HydrophobicContact CG-CD2 3.75Å; L24-F173 HydrophobicContact CG-CE1 4.35Å; L24-F173 HydrophobicContact CG-CE2 3.96Å; L24-F173 HydrophobicContact CG-CG 3.86Å; L24-F173 HydrophobicContact CG-CZ 4.25Å; R152-F173 WeakPolarHBondContact CA-O 3.5Å; I153-F173 PolarHBondContact N-O 3.13Å; I153-F173 PolarHBondContact O-N 3.16Å; V155-F173 HydrophobicContact CB-CE2 4.19Å; V155-F173 HydrophobicContact CG2-CD2 4.12Å; V155-F173 HydrophobicContact CG2-CE2 3.69Å; R171-F173 HydrophobicContact CB-CE2 4.23Å; R171-F173 HydrophobicContact CG-CE2 3.83Å; R171-F173 HydrophobicContact CG-CZ 3.84Å; F173-F175 HydrophobicContact CB-CE2 4.46Å
174V98.3Very high91.5Very high73 Ų7343.2 Ų43.244%0.44225%0.254SS..EExtended strand (participates in β ladder)trans-124.6131.9-177.9-176.30000108.1Q150 R152Q150-V174 VanDerWaalsContact CD-CG1 3.42Å; Q150-V174 HydrophobicContact CG-CG1 3.53Å; R152-V174 HydrophobicContact CB-CG2 4.37Å; R152-V174 HydrophobicContact CG-CG2 3.99Å
175F98.3Very high92.8Very high26 Ų2644.2 Ų44.211%0.11427%0.267CS..  trans-115.5100.4174.2-60.8-74.5000107.3L24 L26 V57 Q150 I153 F173 Q177 T178L24-F175 HydrophobicContact CB-CZ 4Å; L26-F175 HydrophobicContact CB-CD1 3.69Å; L26-F175 HydrophobicContact CB-CD2 4.37Å; L26-F175 HydrophobicContact CB-CE1 3.79Å; L26-F175 HydrophobicContact CB-CE2 4.46Å; L26-F175 HydrophobicContact CB-CG 3.99Å; L26-F175 HydrophobicContact CB-CZ 4.17Å; L26-F175 HydrophobicContact CD1-CD2 4.21Å; L26-F175 HydrophobicContact CD1-CG 4.33Å; L26-F175 HydrophobicContact CD2-CB 4.18Å; L26-F175 HydrophobicContact CD2-CG 4.35Å; L26-F175 HydrophobicContact CG-CG 4.46Å; V57-F175 HydrophobicContact CG1-CE2 3.78Å; V57-F175 HydrophobicContact CG1-CZ 4.17Å; Q150-F175 PolarHBondContact NE2-O 3.32Å; I153-F175 HydrophobicContact CD1-CD2 4.48Å; I153-F175 HydrophobicContact CD1-CE2 4.06Å; F173-F175 HydrophobicContact CB-CE2 4.46Å; F175-Q177 VanDerWaalsContact C-OE1 3.25Å; F175-Q177 PolarHBondContact O-N 2.8Å; F175-Q177 VanDerWaalsContact O-N 3.09Å; F175-T178 HydrophobicContact CB-CG2 3.77Å; F175-T178 PolarHBondContact O-N 2.91Å; F175-T178 PolarHBondContact O-OG1 3.29Å
176P97.9Very high93.9Very high92 Ų9244.9 Ų44.960%0.59726%0.257SS*.G310 helixtrans-55.2-32.1-172.2-28.936.3000114.2T178 A179P176-T178 PolarHBondContact O-N 2.85Å; P176-A179 VanDerWaalsContact O-CB 3.29Å; P176-A179 WeakPolarHBondContact O-CB 3.42Å; P176-A179 PolarHBondContact O-N 3.46Å
177Q97.4Very high95Very high53 Ų5343.2 Ų43.225%0.24824%0.238CC..G310 helixtrans-68-13.1177.971.2-87.145.100114.3L26 W32 S36 F175 A179L26-Q177 HydrophobicContact CD2-CG 3.81Å; L26-Q177 VanDerWaalsContact CD2-NE2 3.31Å; W32-Q177 HydrophobicContact CB-CG 3.99Å; S36-Q177 WeakPolarHBondContact CB-O 3.04Å; F175-Q177 VanDerWaalsContact C-OE1 3.25Å; F175-Q177 PolarHBondContact O-N 2.8Å; F175-Q177 VanDerWaalsContact O-N 3.09Å; Q177-A179 VanDerWaalsContact C-N 3.32Å
178T98.4Very high95.7Very high1 Ų140 Ų401%0.00623%0.226CC..G310 helixtrans-88.8-2.3176.869.20000112.9L26 W32 L55 Q150 P151 F175 P176L26-T178 HydrophobicContact CD1-CG2 3.94Å; L26-T178 HydrophobicContact CD2-CG2 3.72Å; W32-T178 HydrophobicContact CD2-CG2 3.85Å; W32-T178 HydrophobicContact CE3-CG2 3.97Å; W32-T178 HydrophobicContact CG-CG2 4.3Å; W32-T178 HydrophobicContact CH2-CG2 4.42Å; W32-T178 HydrophobicContact CZ2-CG2 4.32Å; W32-T178 HydrophobicContact CZ3-CG2 4.25Å; L55-T178 HydrophobicContact CD2-CG2 3.82Å; Q150-T178 PolarHBondContact NE2-OG1 3.42Å; P151-T178 VanDerWaalsContact CD-O 3.29Å; P151-T178 WeakPolarHBondContact CD-O 3.5Å; P151-T178 VanDerWaalsContact CG-O 3.3Å; P151-T178 WeakPolarHBondContact CG-O 3.45Å; P151-T178 WeakPolarHBondContact CG-OG1 3.35Å; F175-T178 HydrophobicContact CB-CG2 3.77Å; F175-T178 PolarHBondContact O-N 2.91Å; F175-T178 PolarHBondContact O-OG1 3.29Å; P176-T178 PolarHBondContact O-N 2.85Å
179A98.4Very high96.3Very high21 Ų2142 Ų4217%0.17424%0.236CC..  trans-54.4142170.200000111.3T40 L77 Y149 P176 Q177T40-A179 WeakPolarHBondContact CB-O 3.23Å; T40-A179 PolarHBondContact OG1-O 2.9Å; L77-A179 HydrophobicContact CD1-CB 3.7Å; Y149-A179 WeakPolarHBondContact O-CA 3.29Å; P176-A179 VanDerWaalsContact O-CB 3.29Å; P176-A179 WeakPolarHBondContact O-CB 3.42Å; P176-A179 PolarHBondContact O-N 3.46Å; Q177-A179 VanDerWaalsContact C-N 3.32Å
180F98.2Very high96.7Very high5 Ų547.5 Ų47.52%0.02225%0.253CS..EExtended strand (participates in β ladder)trans-149.6160-17868.7-92.1000112.7T40 M42 M51 F74 I130 L143 Q148 Y149 P151 A182T40-F180 HydrophobicContact CG2-CB 3.71Å; T40-F180 CarbonylContact O-C 3.57Å; T40-F180 VanDerWaalsContact O-CA 3.23Å; T40-F180 WeakPolarHBondContact O-CA 3.29Å; T40-F180 WeakPolarHBondContact O-CB 3.5Å; M42-F180 HydrophobicContact CB-CD2 3.41Å; M42-F180 VanDerWaalsContact CB-CD2 3.41Å; M42-F180 HydrophobicContact CB-CE2 3.62Å; M42-F180 HydrophobicContact CB-CG 4.1Å; M42-F180 HydrophobicContact CB-CZ 4.44Å; M42-F180 HydrophobicContact CG-CB 3.83Å; M42-F180 HydrophobicContact CG-CD1 4.03Å; M42-F180 HydrophobicContact CG-CD2 3.32Å; M42-F180 HydrophobicContact CG-CE1 4.43Å; M42-F180 HydrophobicContact CG-CE2 3.8Å; M42-F180 HydrophobicContact CG-CG 3.45Å; M42-F180 VanDerWaalsContact CG-CG 3.45Å; M42-F180 HydrophobicContact CG-CZ 4.33Å; M51-F180 HydrophobicContact CE-CD1 4.11Å; M51-F180 HydrophobicContact CE-CE1 3.83Å; M51-F180 HydrophobicContact CE-CZ 4.49Å; F74-F180 AromaticContact CD1-CE1 3.68Å; F74-F180 HydrophobicContact CD1-CE1 3.68Å; F74-F180 HydrophobicContact CD1-CZ 4.02Å; F74-F180 AromaticContact CE1-CE1 3.65Å; F74-F180 HydrophobicContact CE1-CE1 3.65Å; F74-F180 HydrophobicContact CE1-CZ 4.08Å; I130-F180 HydrophobicContact CD1-CE2 4.33Å; L143-F180 HydrophobicContact CD1-CE2 3.93Å; L143-F180 HydrophobicContact CD1-CZ 3.71Å; Q148-F180 WeakPolarHBondContact CA-O 3.35Å; Y149-F180 HydrophobicContact CD2-CE2 4.41Å; Y149-F180 PolarHBondContact N-O 2.93Å; Y149-F180 PolarHBondContact O-N 2.7Å; P151-F180 HydrophobicContact CG-CD1 4.12Å; P151-F180 HydrophobicContact CG-CE1 3.99Å; F180-A182 HydrophobicContact CE2-CB 4.16Å
181M98Very high96.8Very high4 Ų445.9 Ų45.92%0.0224%0.239CC..EExtended strand (participates in β ladder)trans-90.6121167.2-168.37265.600109.6T40 E41 M42 Y82 W91 H147 Q148 V183T40-M181 PolarHBondContact O-N 3Å; E41-M181 WeakPolarHBondContact CA-O 3.3Å; M42-M181 PolarHBondContact N-O 2.79Å; Y82-M181 HydrophobicContact CD1-CE 4.41Å; Y82-M181 HydrophobicContact CD2-CE 4.01Å; Y82-M181 HydrophobicContact CD2-SD 4.28Å; Y82-M181 HydrophobicContact CG-CE 3.87Å; Y82-M181 HydrophobicContact CG-SD 4.43Å; W91-M181 HydrophobicContact CB-CE 4.39Å; W91-M181 HydrophobicContact CD2-CE 3.65Å; W91-M181 HydrophobicContact CD2-CG 4.42Å; W91-M181 HydrophobicContact CE3-CE 3.8Å; W91-M181 HydrophobicContact CE3-CG 4.41Å; W91-M181 HydrophobicContact CE3-SD 4.39Å; W91-M181 HydrophobicContact CG-CE 3.93Å; W91-M181 HydrophobicContact CH2-CG 3.61Å; W91-M181 HydrophobicContact CH2-SD 4.47Å; W91-M181 HydrophobicContact CZ2-CB 4.2Å; W91-M181 HydrophobicContact CZ2-CG 3.65Å; W91-M181 HydrophobicContact CZ3-CE 4.26Å; W91-M181 HydrophobicContact CZ3-CG 4.01Å; W91-M181 HydrophobicContact CZ3-SD 4.27Å; H147-M181 VanDerWaalsContact C-SD 3.5Å; Q148-M181 HydrophobicContact CG-CE 3.27Å; Q148-M181 HydrophobicContact CG-SD 3.67Å; M181-V183 HydrophobicContact CB-CG1 4.36Å; M181-V183 HydrophobicContact CG-CG1 3.75Å
182A97.9Very high96.8Very high0 Ų044.2 Ų44.20%024%0.236CC..EExtended strand (participates in β ladder)trans-73.8129.4169.700000108.9M42 V44 L143 S145 M146 H147 Y149 F180M42-A182 WeakPolarHBondContact O-CA 3.39Å; V44-A182 HydrophobicContact CG1-CB 4.13Å; L143-A182 HydrophobicContact CB-CB 4.26Å; L143-A182 HydrophobicContact CD1-CB 4.43Å; S145-A182 CarbonylContact C-O 3.55Å; M146-A182 WeakPolarHBondContact CA-O 3.42Å; M146-A182 PolarHBondContact N-O 3.1Å; H147-A182 PolarHBondContact O-N 2.73Å; Y149-A182 HydrophobicContact CD2-CB 3.93Å; Y149-A182 HydrophobicContact CE2-CB 3.84Å; F180-A182 HydrophobicContact CE2-CB 4.16Å
183V98.2Very high96.7Very high0 Ų046 Ų460%024%0.241CC..EExtended strand (participates in β ladder)trans-141.2154.4-178.2-61.70000110.6E41 M42 I43 V44 W91 S145 M146 M181 A185 Q187E41-V183 HydrophobicContact CB-CG2 4.02Å; M42-V183 PolarHBondContact O-N 3.38Å; I43-V183 CarbonylContact C-O 3.59Å; I43-V183 WeakPolarHBondContact CA-O 3.49Å; I43-V183 HydrophobicContact CD1-CG2 3.68Å; V44-V183 WeakPolarHBondContact CG2-O 3.48Å; V44-V183 PolarHBondContact N-O 3Å; W91-V183 HydrophobicContact CH2-CG1 3.62Å; W91-V183 HydrophobicContact CZ2-CG1 3.99Å; S145-V183 WeakPolarHBondContact OG-CA 3.32Å; M146-V183 HydrophobicContact SD-CG1 4.17Å; M181-V183 HydrophobicContact CB-CG1 4.36Å; M181-V183 HydrophobicContact CG-CG1 3.75Å; V183-A185 WeakPolarHBondContact CB-O 3.41Å; V183-A185 VanDerWaalsContact CG2-O 3.28Å; V183-A185 WeakPolarHBondContact CG2-O 3.24Å; V183-Q187 HydrophobicContact CG1-CG 4.4Å
184T97.1Very high96.6Very high79 Ų7946.3 Ų46.349%0.48524%0.243SC..SBendtrans-84.2-23.1173.348.90000113V44 S145V44-T184 HydrophobicContact CG2-CG2 4.32Å; S145-T184 PolarHBondContact OG-N 3.23Å
185A96.6Very high96.4Very high52 Ų5243.3 Ų43.343%0.4323%0.225SC..SBendtrans-147.4150.6173.700000108.9V183 Q187V183-A185 WeakPolarHBondContact CB-O 3.41Å; V183-A185 VanDerWaalsContact CG2-O 3.28Å; V183-A185 WeakPolarHBondContact CG2-O 3.24Å; A185-Q187 PolarHBondContact O-N 3.39Å; A185-Q187 PolarHBondContact O-NE2 2.87Å
186Y96.3Very high96.1Very high73 Ų7343.9 Ų43.929%0.28623%0.228SC..  trans-61.6137.2177.6-67.1-62.3000110.6E41 I43 I191 T192 K195E41-Y186 HydrophobicContact CB-CD1 3.87Å; E41-Y186 HydrophobicContact CB-CE1 4.12Å; E41-Y186 WeakPolarHBondContact OE2-CA 3.39Å; E41-Y186 WeakPolarHBondContact OE2-CD1 3.17Å; I43-Y186 HydrophobicContact CD1-CD1 3.72Å; I43-Y186 HydrophobicContact CD1-CD2 3.91Å; I43-Y186 HydrophobicContact CD1-CE1 3.65Å; I43-Y186 HydrophobicContact CD1-CE2 3.84Å; I43-Y186 HydrophobicContact CD1-CG 3.83Å; I43-Y186 HydrophobicContact CG1-CD1 4.39Å; I43-Y186 HydrophobicContact CG1-CD2 4.3Å; I43-Y186 HydrophobicContact CG1-CE1 3.83Å; I43-Y186 HydrophobicContact CG1-CE2 3.72Å; I43-Y186 VanDerWaalsContact CG1-CZ 3.43Å; Y186-I191 HydrophobicContact CD1-CG2 3.98Å; Y186-I191 HydrophobicContact CE1-CG2 4.08Å; Y186-T192 WeakPolarHBondContact CB-OG1 3.45Å; Y186-K195 HydrophobicContact CE1-CD 3.69Å; Y186-K195 VanDerWaalsContact CE1-CE 3.46Å; Y186-K195 HydrophobicContact CE2-CD 4.19Å; Y186-K195 WeakPolarHBondContact OH-CD 3.49Å; Y186-K195 VanDerWaalsContact OH-CE 3.31Å; Y186-K195 WeakPolarHBondContact OH-CE 3.16Å; Y186-K195 PolarHBondContact OH-NZ 2.86Å
187Q97Very high95.9Very high32 Ų3242.6 Ų42.615%0.1523%0.226CC..  trans-103.5-42.3179-54.6-60.6-62.700110.9E41 Y84 Y86 W91 V183 A185E41-Q187 PolarHBondContact OE2-N 2.83Å; Y84-Q187 HydrophobicContact CD1-CB 3.8Å; Y84-Q187 HydrophobicContact CD2-CB 4.08Å; Y84-Q187 HydrophobicContact CE1-CB 4.49Å; Y84-Q187 HydrophobicContact CG-CB 3.56Å; Y84-Q187 HydrophobicContact CG-CG 4.44Å; Y86-Q187 WeakPolarHBondContact CE1-O 3.45Å; Y86-Q187 PolarHBondContact OH-OE1 3.31Å; W91-Q187 HydrophobicContact CH2-CB 4.13Å; W91-Q187 HydrophobicContact CH2-CG 3.54Å; W91-Q187 HydrophobicContact CZ2-CB 3.97Å; W91-Q187 HydrophobicContact CZ2-CG 3.86Å; W91-Q187 HydrophobicContact CZ3-CG 4.48Å; V183-Q187 HydrophobicContact CG1-CG 4.4Å; A185-Q187 PolarHBondContact O-N 3.39Å; A185-Q187 PolarHBondContact O-NE2 2.87Å
188N94.8Very high95.6Very high16 Ų1641.7 Ų41.79%0.08623%0.225CC..  trans-91.6111.8177.1-175.2-6000111.5L38 E41 Y84 R190 I191 T192L38-N188 PolarHBondContact O-ND2 2.84Å; E41-N188 VanDerWaalsContact OE1-CB 3.3Å; E41-N188 WeakPolarHBondContact OE1-CB 3.33Å; E41-N188 PolarHBondContact OE1-N 3.04Å; Y84-N188 HydrophobicContact CE2-CB 4.16Å; N188-R190 PolarHBondContact O-N 2.81Å; N188-R190 VanDerWaalsContact O-N 3.14Å; N188-R190 VanDerWaalsContact OD1-CB 3.3Å; N188-R190 WeakPolarHBondContact OD1-CB 3.38Å; N188-R190 PolarHBondContact OD1-N 3.41Å; N188-I191 HydrophobicContact CB-CB 4.42Å; N188-I191 HydrophobicContact CB-CG1 4.05Å; N188-I191 WeakPolarHBondContact O-CB 3.46Å; N188-I191 PolarHBondContact O-N 2.88Å; N188-T192 PolarHBondContact O-N 2.81Å
189Q93.5Very high95.2Very high122 Ų12242.9 Ų42.957%0.5723%0.231SC*.Hα-helixtrans-61.6-24.5178.9-66.9-62.11.300113.9I191 T192 N193Q189-I191 VanDerWaalsContact C-N 3.27Å; Q189-I191 PolarHBondContact O-N 3.21Å; Q189-T192 WeakPolarHBondContact O-CB 3.5Å; Q189-T192 PolarHBondContact O-N 3.16Å; Q189-T192 PolarHBondContact OE1-OG1 2.85Å; Q189-N193 VanDerWaalsContact O-CG 3.25Å; Q189-N193 PolarHBondContact O-N 3.3Å; Q189-N193 PolarHBondContact O-OD1 3.05Å
190R94.6Very high94.7Very high167 Ų16746.5 Ų46.563%0.6325%0.253SS*.Hα-helixtrans-64.5-35173.9-60.1173.164.9-171.90.6111.3L38 N188 L194L38-R190 HydrophobicContact CD1-CB 4.05Å; L38-R190 HydrophobicContact CD2-CB 4.26Å; L38-R190 VanDerWaalsContact CD2-NH2 3.28Å; N188-R190 PolarHBondContact O-N 2.81Å; N188-R190 VanDerWaalsContact O-N 3.14Å; N188-R190 VanDerWaalsContact OD1-CB 3.3Å; N188-R190 WeakPolarHBondContact OD1-CB 3.38Å; N188-R190 PolarHBondContact OD1-N 3.41Å; R190-L194 WeakPolarHBondContact O-CB 3.39Å; R190-L194 PolarHBondContact O-N 3.11Å
191I94.5Very high94.2Very high0 Ų055.3 Ų55.30%029%0.291CS..Hα-helixtrans-68-44.4173-66.7-71.1000110.2F35 L38 G39 E41 Y186 N188 Q189 N193 L194 K195F35-I191 HydrophobicContact CD1-CD1 4.09Å; F35-I191 HydrophobicContact CE1-CG2 4.41Å; L38-I191 HydrophobicContact CB-CD1 3.36Å; L38-I191 HydrophobicContact CB-CG1 4.07Å; L38-I191 HydrophobicContact CD1-CD1 4.15Å; L38-I191 HydrophobicContact CG-CD1 4.41Å; G39-I191 WeakPolarHBondContact O-CD1 3.38Å; E41-I191 HydrophobicContact CB-CG2 4.11Å; E41-I191 HydrophobicContact CG-CG1 4.43Å; E41-I191 HydrophobicContact CG-CG2 4.49Å; Y186-I191 HydrophobicContact CD1-CG2 3.98Å; Y186-I191 HydrophobicContact CE1-CG2 4.08Å; N188-I191 HydrophobicContact CB-CB 4.42Å; N188-I191 HydrophobicContact CB-CG1 4.05Å; N188-I191 WeakPolarHBondContact O-CB 3.46Å; N188-I191 PolarHBondContact O-N 2.88Å; Q189-I191 VanDerWaalsContact C-N 3.27Å; Q189-I191 PolarHBondContact O-N 3.21Å; I191-N193 PolarHBondContact O-N 3.4Å; I191-L194 PolarHBondContact O-N 3.29Å; I191-K195 HydrophobicContact CG2-CD 4.3Å; I191-K195 HydrophobicContact CG2-CG 4.45Å; I191-K195 WeakPolarHBondContact O-CG 3.47Å; I191-K195 PolarHBondContact O-N 2.89Å
192T93.4Very high93.5Very high28 Ų2855.8 Ų55.817%0.17230%0.296CS..Hα-helixtrans-55-51.8175.7-50.90000110.9Y186 N188 Q189 L194 K195 I196Y186-T192 WeakPolarHBondContact CB-OG1 3.45Å; N188-T192 PolarHBondContact O-N 2.81Å; Q189-T192 WeakPolarHBondContact O-CB 3.5Å; Q189-T192 PolarHBondContact O-N 3.16Å; Q189-T192 PolarHBondContact OE1-OG1 2.85Å; T192-L194 PolarHBondContact O-N 3.48Å; T192-K195 PolarHBondContact O-N 2.86Å; T192-K195 VanDerWaalsContact O-N 3.14Å; T192-I196 HydrophobicContact CG2-CD1 4.01Å; T192-I196 WeakPolarHBondContact O-CG1 3.47Å; T192-I196 PolarHBondContact O-N 3.41Å
193N94.7Very high92.7Very high100 Ų10062.2 Ų62.254%0.53532%0.324SS..Hα-helixtrans-62.3-43.9-179.6-66.5-4000111.6Q189 I191 K195 I196 A197Q189-N193 VanDerWaalsContact O-CG 3.25Å; Q189-N193 PolarHBondContact O-N 3.3Å; Q189-N193 PolarHBondContact O-OD1 3.05Å; I191-N193 PolarHBondContact O-N 3.4Å; N193-K195 VanDerWaalsContact C-N 3.3Å; N193-K195 PolarHBondContact O-N 3.14Å; N193-I196 PolarHBondContact O-N 3.14Å; N193-A197 WeakPolarHBondContact O-CB 3.49Å; N193-A197 PolarHBondContact O-N 2.82Å
194L94.9Very high91.9Very high28 Ų2865.4 Ų65.415%0.14736%0.357CS..Hα-helixtrans-61.3-39.5176-176.760000111.3Q34 F35 L38 R190 I191 T192 A197 S198Q34-L194 HydrophobicContact CB-CD2 4.1Å; F35-L194 HydrophobicContact CD1-CD2 3.89Å; F35-L194 HydrophobicContact CD2-CD2 3.94Å; F35-L194 HydrophobicContact CD2-CG 4.47Å; F35-L194 HydrophobicContact CE1-CB 4.32Å; F35-L194 HydrophobicContact CE1-CD2 3.84Å; F35-L194 HydrophobicContact CE1-CG 3.98Å; F35-L194 HydrophobicContact CE2-CD2 3.93Å; F35-L194 HydrophobicContact CE2-CG 3.96Å; F35-L194 HydrophobicContact CG-CD2 3.92Å; F35-L194 HydrophobicContact CZ-CB 4.31Å; F35-L194 HydrophobicContact CZ-CD2 3.87Å; F35-L194 HydrophobicContact CZ-CG 3.67Å; L38-L194 HydrophobicContact CD1-CB 4.34Å; L38-L194 HydrophobicContact CD1-CD2 3.84Å; R190-L194 WeakPolarHBondContact O-CB 3.39Å; R190-L194 PolarHBondContact O-N 3.11Å; I191-L194 PolarHBondContact O-N 3.29Å; T192-L194 PolarHBondContact O-N 3.48Å; L194-A197 PolarHBondContact O-N 2.77Å; L194-S198 VanDerWaalsContact O-CB 3.3Å; L194-S198 WeakPolarHBondContact O-CB 3.48Å; L194-S198 PolarHBondContact O-N 3.46Å; L194-S198 PolarHBondContact O-OG 2.59Å
195K93.8Very high91.2Very high11 Ų1168 Ų685%0.04836%0.362CS..Hα-helixtrans-67-41.4175.3-71-171.2-173.5-131.70112.5F35 E41 F52 Y186 I191 T192 N193 A197 N199F35-K195 HydrophobicContact CE1-CD 4.24Å; F35-K195 HydrophobicContact CE1-CG 3.42Å; F35-K195 VanDerWaalsContact CE1-CG 3.42Å; F35-K195 HydrophobicContact CZ-CB 4.49Å; F35-K195 HydrophobicContact CZ-CG 3.57Å; E41-K195 VanDerWaalsContact O-CE 3.32Å; E41-K195 WeakPolarHBondContact O-CE 3.3Å; E41-K195 PolarHBondContact O-NZ 3.08Å; F52-K195 HydrophobicContact CD1-CG 4.15Å; F52-K195 PolarHBondContact O-NZ 3.42Å; Y186-K195 HydrophobicContact CE1-CD 3.69Å; Y186-K195 VanDerWaalsContact CE1-CE 3.46Å; Y186-K195 HydrophobicContact CE2-CD 4.19Å; Y186-K195 WeakPolarHBondContact OH-CD 3.49Å; Y186-K195 VanDerWaalsContact OH-CE 3.31Å; Y186-K195 WeakPolarHBondContact OH-CE 3.16Å; Y186-K195 PolarHBondContact OH-NZ 2.86Å; I191-K195 HydrophobicContact CG2-CD 4.3Å; I191-K195 HydrophobicContact CG2-CG 4.45Å; I191-K195 WeakPolarHBondContact O-CG 3.47Å; I191-K195 PolarHBondContact O-N 2.89Å; T192-K195 PolarHBondContact O-N 2.86Å; T192-K195 VanDerWaalsContact O-N 3.14Å; N193-K195 VanDerWaalsContact C-N 3.3Å; N193-K195 PolarHBondContact O-N 3.14Å; K195-A197 VanDerWaalsContact C-N 3.32Å; K195-A197 PolarHBondContact O-N 2.85Å; K195-N199 WeakPolarHBondContact O-CA 3.36Å; K195-N199 WeakPolarHBondContact O-CB 3.25Å; K195-N199 PolarHBondContact O-N 3.02Å
196I92.6Very high90.6Very high38 Ų3870 Ų7020%0.19536%0.358CS..Hα-helixtrans-59.9-46.6175.7-69167.1000110.1T192 N193 F205 R206T192-I196 HydrophobicContact CG2-CD1 4.01Å; T192-I196 WeakPolarHBondContact O-CG1 3.47Å; T192-I196 PolarHBondContact O-N 3.41Å; N193-I196 PolarHBondContact O-N 3.14Å; I196-F205 HydrophobicContact CD1-CB 3.93Å; I196-F205 HydrophobicContact CG1-CB 3.96Å; I196-F205 HydrophobicContact CG2-CB 3.87Å; I196-R206 HydrophobicContact CG2-CG 3.65Å; I196-R206 PolarHBondContact O-NE 3.06Å; I196-R206 PolarHBondContact O-NH2 3.29Å
197A92.8Very high89.4Confident65 Ų6571.9 Ų71.954%0.53737%0.373SS..Hα-helixtrans-67.2-40.4-179.300000113.5N193 L194 K195 R206N193-A197 WeakPolarHBondContact O-CB 3.49Å; N193-A197 PolarHBondContact O-N 2.82Å; L194-A197 PolarHBondContact O-N 2.77Å; K195-A197 VanDerWaalsContact C-N 3.32Å; K195-A197 PolarHBondContact O-N 2.85Å; A197-R206 PolarHBondContact O-NH2 3.18Å
198S92.3Very high87.7Confident33 Ų3374.3 Ų74.323%0.23139%0.393CS..Hα-helixtrans-98.2-24.3-171.561.60000115F52 L194 P200F52-S198 VanDerWaalsContact CE1-OG 3.31Å; F52-S198 WeakPolarHBondContact CE1-OG 3.32Å; L194-S198 VanDerWaalsContact O-CB 3.3Å; L194-S198 WeakPolarHBondContact O-CB 3.48Å; L194-S198 PolarHBondContact O-N 3.46Å; L194-S198 PolarHBondContact O-OG 2.59Å; S198-P200 WeakPolarHBondContact O-CD 3.33Å
199N89.9Confident85.8Confident27 Ų2780.6 Ų80.614%0.14443%0.427CS..  trans-85.8117.5-179.5-171.1-12.9000110.7F52 K195 F201 A202 R206F52-N199 HydrophobicContact CD1-CB 3.98Å; F52-N199 HydrophobicContact CD2-CB 4.04Å; F52-N199 HydrophobicContact CE1-CB 3.7Å; F52-N199 HydrophobicContact CE2-CB 3.75Å; F52-N199 HydrophobicContact CG-CB 4.15Å; F52-N199 VanDerWaalsContact CZ-CA 3.4Å; F52-N199 HydrophobicContact CZ-CB 3.58Å; K195-N199 WeakPolarHBondContact O-CA 3.36Å; K195-N199 WeakPolarHBondContact O-CB 3.25Å; K195-N199 PolarHBondContact O-N 3.02Å; N199-F201 PolarHBondContact O-N 2.87Å; N199-F201 VanDerWaalsContact O-N 3.14Å; N199-F201 WeakPolarHBondContact OD1-CB 3.47Å; N199-F201 WeakPolarHBondContact OD1-CD2 3.44Å; N199-F201 PolarHBondContact OD1-N 3.06Å; N199-A202 HydrophobicContact CB-CB 4.05Å; N199-A202 PolarHBondContact O-N 3.09Å; N199-R206 PolarHBondContact O-NH2 3.17Å; N199-R206 VanDerWaalsContact O-NH2 3.11Å
200P88.1Confident83.9Confident96 Ų9680.1 Ų80.162%0.62344%0.436SS*.G310 helixtrans-57-30.1177.1-24.935.4000113.5S198 A202S198-P200 WeakPolarHBondContact O-CD 3.33Å; P200-A202 VanDerWaalsContact C-N 3.25Å; P200-A202 PolarHBondContact O-N 2.7Å
201F86.3Confident81.6Confident190 Ų19080.8 Ų80.883%0.83345%0.447SS*.G310 helixtrans-78.3-6.2179.4-59.5-73.7000114N199N199-F201 PolarHBondContact O-N 2.87Å; N199-F201 VanDerWaalsContact O-N 3.14Å; N199-F201 WeakPolarHBondContact OD1-CB 3.47Å; N199-F201 WeakPolarHBondContact OD1-CD2 3.44Å; N199-F201 PolarHBondContact OD1-N 3.06Å
202A84.7Confident79.4Confident14 Ų1489.1 Ų89.112%0.11649%0.491CS..G310 helixtrans-10414.4177.800000112.7N199 P200 G204 F205N199-A202 HydrophobicContact CB-CB 4.05Å; N199-A202 PolarHBondContact O-N 3.09Å; P200-A202 VanDerWaalsContact C-N 3.25Å; P200-A202 PolarHBondContact O-N 2.7Å; A202-G204 PolarHBondContact O-N 2.78Å; A202-F205 HydrophobicContact CB-CD2 4.43Å; A202-F205 PolarHBondContact O-N 2.89Å; A202-F205 VanDerWaalsContact O-N 3.14Å
203K80.5Confident76.8Confident135 Ų13596.1 Ų96.159%0.58755%0.551SS**G310 helixtrans-56-36.3-176.1-169.9-179.5176.8-174.40113.3F205 R206K203-F205 PolarHBondContact O-N 3.12Å; K203-F205 VanDerWaalsContact O-N 3.16Å; K203-R206 VanDerWaalsContact O-CB 3.32Å; K203-R206 WeakPolarHBondContact O-CB 3.45Å; K203-R206 WeakPolarHBondContact O-CG 3.19Å; K203-R206 PolarHBondContact O-N 2.87Å
204G82Confident75.9Confident67 Ų6795.9 Ų95.969%0.69155%0.552SS**G310 helixtrans-64.8-15.5-179.300000115.5A202A202-G204 PolarHBondContact O-N 2.78Å
205F82.2Confident74.9Confident135 Ų13599.5 Ų99.559%0.59257%0.574SS**G310 helixtrans-92.82.8175-61.5-80000113.1I196 A202 K203 S208I196-F205 HydrophobicContact CD1-CB 3.93Å; I196-F205 HydrophobicContact CG1-CB 3.96Å; I196-F205 HydrophobicContact CG2-CB 3.87Å; A202-F205 HydrophobicContact CB-CD2 4.43Å; A202-F205 PolarHBondContact O-N 2.89Å; A202-F205 VanDerWaalsContact O-N 3.14Å; K203-F205 PolarHBondContact O-N 3.12Å; K203-F205 VanDerWaalsContact O-N 3.16Å; F205-S208 PolarHBondContact O-OG 2.86Å; F205-S208 VanDerWaalsContact O-OG 3.09Å
206R83.5Confident73.9Confident94 Ų94104.4 Ų104.436%0.35560%0.603SS.*SBendtrans-85.3-30.4-179.6-62.6176.5-171.7179.90.4112.3I196 A197 N199 K203I196-R206 HydrophobicContact CG2-CG 3.65Å; I196-R206 PolarHBondContact O-NE 3.06Å; I196-R206 PolarHBondContact O-NH2 3.29Å; A197-R206 PolarHBondContact O-NH2 3.18Å; N199-R206 PolarHBondContact O-NH2 3.17Å; N199-R206 VanDerWaalsContact O-NH2 3.11Å; K203-R206 VanDerWaalsContact O-CB 3.32Å; K203-R206 WeakPolarHBondContact O-CB 3.45Å; K203-R206 WeakPolarHBondContact O-CG 3.19Å; K203-R206 PolarHBondContact O-N 2.87Å
207D71.5Confident72.8Confident112 Ų112108.3 Ų108.360%0.59963%0.627SS**G310 helixtrans-90.2-10.4-173-56.1-33.9000112.3D209 C210D207-D209 PolarHBondContact O-N 2.97Å; D207-C210 PolarHBondContact O-N 3.49Å
208S60.7Low71.5Confident82 Ų82111 Ų11157%0.57363%0.632SS**G310 helixtrans-66.7-5.5179.640.30000114.7F205F205-S208 PolarHBondContact O-OG 2.86Å; F205-S208 VanDerWaalsContact O-OG 3.09Å
209D55.1Low70.1Confident148 Ų148116.2 Ų116.279%0.79166%0.659SS**G310 helixtrans-943176.5-64.7-21.8000113.3D207D207-D209 PolarHBondContact O-N 2.97Å
210C54Low68.7Low113 Ų113122.6 Ų122.676%0.76470%0.696SS**SBendtrans-102.73.3-177-76.80000116.3D207D207-C210 PolarHBondContact O-N 3.49Å
211E46.5Very low67.3Low181 Ų181124.6 Ų124.685%0.84670%0.702SS**SBendtrans-107.44.7-172.6-80.1-168.9164.300117.5
212D47.8Very low65.7Low175 Ų175119.2 Ų119.294%0.93669%0.691SS**  trans-116.572.5173.9-69.5-35000111.8
213A39.6Very low63.9Low174 Ų174128.7 Ų128.7100%1.43874%0.743SS**  trans-143.40162.200000111.3

Retrieved 213 of 213 residues in 575.9 ms (Link to these results)

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