A0A096NR52_PAPAN Loading...

Zinc finger HIT-type containing 1

AlphaFold DB (Q24JY4), UniProt , Accession A0A096NR52, Species PAPAN (Papio anubis, Olive baboon), Gene ZNHIT1, Length 154 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
1M49.1Very low50.1Low236 Ų236157.4 Ų157.4100%1.16379%0.793SS**  0115.20-65178.8-177.200106.8E3M1-E3 PolarHBondContact O-N 2.95Å
2V49.8Very low50.7Low136 Ų136151.5 Ų151.582%0.82477%0.765SS**  trans-77.4108.3179.5108.20000107.5K4V2-K4 PolarHBondContact O-N 2.94Å; V2-K4 VanDerWaalsContact O-N 3.07Å
3E47.5Very low51.2Low183 Ų183147.8 Ų147.886%0.85576%0.758SS**  trans-67.2105.7169.9-68.1-174.311700107.2M1 K5M1-E3 PolarHBondContact O-N 2.95Å; E3-K5 VanDerWaalsContact C-N 3.27Å; E3-K5 PolarHBondContact O-N 3.11Å
4K51.8Low51.8Low185 Ų185142.1 Ų142.180%0.80475%0.754SS**  trans-6696169.1-93.5178.6173175.80107.4V2 T6V2-K4 PolarHBondContact O-N 2.94Å; V2-K4 VanDerWaalsContact O-N 3.07Å; K4-T6 VanDerWaalsContact C-N 3.31Å; K4-T6 PolarHBondContact O-N 2.89Å
5K48.5Very low52.6Low209 Ų209142.5 Ų142.591%0.90975%0.75SS**  trans-60.795168.8-147.2156.8-176.3169.50107.2E3 S7E3-K5 VanDerWaalsContact C-N 3.27Å; E3-K5 PolarHBondContact O-N 3.11Å; K5-S7 PolarHBondContact O-N 3.11Å; K5-S7 VanDerWaalsContact O-N 3.09Å
6T47.1Very low53.5Low98 Ų98140.1 Ų140.160%0.60173%0.728SS**  trans-66.3109.7172.446.70000106.1K4 V8K4-T6 VanDerWaalsContact C-N 3.31Å; K4-T6 PolarHBondContact O-N 2.89Å; T6-V8 PolarHBondContact O-N 3.44Å
7S46.8Very low55.1Low117 Ų117144.1 Ų144.182%0.81873%0.731SS**  trans-68.681.1171-179.60000107.6K5 R9K5-S7 PolarHBondContact O-N 3.11Å; K5-S7 VanDerWaalsContact O-N 3.09Å; S7-R9 PolarHBondContact O-N 2.96Å; S7-R9 VanDerWaalsContact O-N 3.11Å
8V50.4Low56.8Low89 Ų89141.3 Ų141.354%0.53972%0.722SS.*  trans-79.192.3176.71620000105.8T6 S10T6-V8 PolarHBondContact O-N 3.44Å; V8-S10 VanDerWaalsContact CG1-N 3.33Å; V8-S10 WeakPolarHBondContact CG1-OG 3.35Å; V8-S10 PolarHBondContact O-N 2.96Å
9R52.1Low58.3Low244 Ų244135.9 Ų135.992%0.92170%0.695SS**  trans-70.467.2148.1-79.3-175.7173.3175.5-1.7106.8S7 Q11S7-R9 PolarHBondContact O-N 2.96Å; S7-R9 VanDerWaalsContact O-N 3.11Å; R9-Q11 PolarHBondContact O-N 3.16Å
10S52.3Low59.8Low83 Ų83133.5 Ų133.558%0.5868%0.683SS**  trans-65.610317236.90000107.2V8 D12V8-S10 VanDerWaalsContact CG1-N 3.33Å; V8-S10 WeakPolarHBondContact CG1-OG 3.35Å; V8-S10 PolarHBondContact O-N 2.96Å; S10-D12 PolarHBondContact O-N 3.02Å
11Q55.4Low61.1Low151 Ų151138 Ų13871%0.70669%0.692SS**  trans-61.3130.2145.6-73.2-175.9-40.500107.1R9R9-Q11 PolarHBondContact O-N 3.16Å
12D58.1Low63.1Low87 Ų87128.8 Ų128.847%0.46565%0.653SS.*  trans-46.1129.8179.9-175.6-89.4000110.2S10 G14 Q15S10-D12 PolarHBondContact O-N 3.02Å; D12-G14 PolarHBondContact O-N 2.94Å; D12-G14 VanDerWaalsContact O-N 3.11Å; D12-G14 WeakPolarHBondContact OD1-CA 3.27Å; D12-G14 PolarHBondContact OD1-N 3.33Å; D12-Q15 HydrophobicContact CB-CB 4.42Å; D12-Q15 HydrophobicContact CB-CG 4.13Å; D12-Q15 PolarHBondContact O-N 3.06Å
13P56.6Low64.9Low103 Ų103123.1 Ų123.167%0.66962%0.621SS**G310 helixtrans-57.9-27-176.722.4-32.4000112.7Q15P13-Q15 VanDerWaalsContact C-N 3.34Å
14G60.4Low66.9Low68 Ų68117.6 Ų117.670%0.70159%0.592SS**G310 helixtrans-73.8-19.5175.700000114.4D12D12-G14 PolarHBondContact O-N 2.94Å; D12-G14 VanDerWaalsContact O-N 3.11Å; D12-G14 WeakPolarHBondContact OD1-CA 3.27Å; D12-G14 PolarHBondContact OD1-N 3.33Å
15Q63.1Low68.6Low148 Ų148113.6 Ų113.669%0.69258%0.576SS**G310 helixtrans-92.82.6178.6-66-175.924.200113.8D12 P13 R17D12-Q15 HydrophobicContact CB-CB 4.42Å; D12-Q15 HydrophobicContact CB-CG 4.13Å; D12-Q15 PolarHBondContact O-N 3.06Å; P13-Q15 VanDerWaalsContact C-N 3.34Å; Q15-R17 PolarHBondContact O-N 3.46Å
16R67.2Low70.6Confident105 Ų105111 Ų11140%0.39656%0.561SS.*  trans-69.8102.6-176.9-73.8-176.7175-156.90.4110.6V18 Q145R16-V18 PolarHBondContact O-N 3.04Å; R16-V18 VanDerWaalsContact O-N 3.16Å; R16-Q145 VanDerWaalsContact NH1-NE2 3.16Å; R16-Q145 VanDerWaalsContact NH2-OE1 3.14Å
17R80.9Confident72.4Confident208 Ų208109.5 Ų109.579%0.78554%0.544SS*.PPolyproline II helixtrans-54.4120.4172.4-68.9-173.3180-152.80.1110Q15Q15-R17 PolarHBondContact O-N 3.46Å
18V85.3Confident74.3Confident94 Ų94107.8 Ų107.857%0.5753%0.525SS*.PPolyproline II helixtrans-91.5116.1172.3174.70000107.9R16 V129R16-V18 PolarHBondContact O-N 3.04Å; R16-V18 VanDerWaalsContact O-N 3.16Å; V18-V129 HydrophobicContact CG1-CG1 4.34Å; V18-V129 WeakPolarHBondContact CG1-O 3.48Å; V18-V129 HydrophobicContact CG2-CG1 4.12Å
19L84.8Confident76.2Confident39 Ų39107.6 Ų107.620%0.20452%0.521CS..PPolyproline II helixtrans-77.3134.9175-63-177.7000110.1A23 R24 S130 L150L19-A23 HydrophobicContact CB-CB 4.14Å; L19-A23 HydrophobicContact CD2-CB 4.09Å; L19-R24 HydrophobicContact CB-CG 3.92Å; L19-R24 PolarHBondContact O-NE 3.09Å; L19-R24 PolarHBondContact O-NH2 2.74Å; L19-R24 VanDerWaalsContact O-NH2 3.13Å; L19-S130 WeakPolarHBondContact CB-O 3.42Å; L19-S130 PolarHBondContact N-O 3.38Å; L19-L150 HydrophobicContact CD1-CD2 3.61Å; L19-L150 HydrophobicContact CG-CD2 4.23Å
20D89.2Confident78Confident87 Ų87104 Ų10447%0.46551%0.507SS..PPolyproline II helixtrans-69.2170.7170.378.4-51.3000111.2A22 A23 R24D20-A22 VanDerWaalsContact C-N 3.28Å; D20-A22 PolarHBondContact O-N 3.44Å; D20-A22 VanDerWaalsContact OD2-CB 3.27Å; D20-A22 WeakPolarHBondContact OD2-CB 3.17Å; D20-A22 PolarHBondContact OD2-N 3.41Å; D20-A22 VanDerWaalsContact OD2-N 3.11Å; D20-A23 PolarHBondContact O-N 3.13Å; D20-A23 WeakPolarHBondContact OD1-CB 2.93Å; D20-A23 PolarHBondContact OD1-N 2.9Å; D20-R24 VanDerWaalsContact O-CG 3.28Å; D20-R24 WeakPolarHBondContact O-CG 3.45Å; D20-R24 PolarHBondContact O-N 2.82Å
21R87.9Confident79.6Confident227 Ų227105.9 Ų105.986%0.85751%0.507SS*.Hα-helixtrans-60.3-38.4-178.3-174.6176.3176178.4-2.2112.1R24 Q25R21-R24 PolarHBondContact O-N 2.83Å; R21-Q25 PolarHBondContact O-N 2.94Å
22A89.8Confident81.1Confident43 Ų43103 Ų10336%0.35550%0.496SS..Hα-helixtrans-71.4-41.9-178.700000111.6D20 R24 Q25 R26D20-A22 VanDerWaalsContact C-N 3.28Å; D20-A22 PolarHBondContact O-N 3.44Å; D20-A22 VanDerWaalsContact OD2-CB 3.27Å; D20-A22 WeakPolarHBondContact OD2-CB 3.17Å; D20-A22 PolarHBondContact OD2-N 3.41Å; D20-A22 VanDerWaalsContact OD2-N 3.11Å; A22-R24 VanDerWaalsContact C-N 3.32Å; A22-R24 PolarHBondContact O-N 3.24Å; A22-Q25 PolarHBondContact O-N 3.44Å; A22-R26 WeakPolarHBondContact O-CG 3.43Å; A22-R26 PolarHBondContact O-N 2.76Å
23A88.2Confident82.6Confident17 Ų17104.1 Ų104.114%0.1450%0.498CS..Hα-helixtrans-63.2-38.1174.400000112.4L19 D20 Q25 R26 R27L19-A23 HydrophobicContact CB-CB 4.14Å; L19-A23 HydrophobicContact CD2-CB 4.09Å; D20-A23 PolarHBondContact O-N 3.13Å; D20-A23 WeakPolarHBondContact OD1-CB 2.93Å; D20-A23 PolarHBondContact OD1-N 2.9Å; A23-Q25 VanDerWaalsContact C-N 3.35Å; A23-R26 PolarHBondContact O-N 3.11Å; A23-R27 WeakPolarHBondContact O-CB 3.28Å; A23-R27 PolarHBondContact O-N 3.01Å
24R88.5Confident84Confident68 Ų68102 Ų10226%0.25749%0.489SS..Hα-helixtrans-60.2-45.6173.7-69173.5-166.9-170.64.9111.4L19 D20 R21 A22 R27 I28 V129L19-R24 HydrophobicContact CB-CG 3.92Å; L19-R24 PolarHBondContact O-NE 3.09Å; L19-R24 PolarHBondContact O-NH2 2.74Å; L19-R24 VanDerWaalsContact O-NH2 3.13Å; D20-R24 VanDerWaalsContact O-CG 3.28Å; D20-R24 WeakPolarHBondContact O-CG 3.45Å; D20-R24 PolarHBondContact O-N 2.82Å; R21-R24 PolarHBondContact O-N 2.83Å; A22-R24 VanDerWaalsContact C-N 3.32Å; A22-R24 PolarHBondContact O-N 3.24Å; R24-R27 WeakPolarHBondContact O-CB 3.23Å; R24-R27 PolarHBondContact O-N 3.06Å; R24-I28 WeakPolarHBondContact O-CG1 3.4Å; R24-I28 PolarHBondContact O-N 2.68Å; R24-V129 PolarHBondContact NH2-O 2.84Å
25Q88.3Confident85.2Confident100 Ų100103.5 Ų103.547%0.46748%0.48SS..Hα-helixtrans-64-45.6178.7-169.360.744.500112.1R21 A22 A23 R27 I28 N29R21-Q25 PolarHBondContact O-N 2.94Å; A22-Q25 PolarHBondContact O-N 3.44Å; A23-Q25 VanDerWaalsContact C-N 3.35Å; Q25-R27 PolarHBondContact O-N 3.46Å; Q25-I28 PolarHBondContact O-N 3.33Å; Q25-I28 VanDerWaalsContact O-N 3.12Å; Q25-N29 PolarHBondContact NE2-OD1 2.76Å; Q25-N29 PolarHBondContact O-N 3.13Å; Q25-N29 PolarHBondContact O-OD1 3.47Å
26R90.1Very high86.2Confident155 Ų155101 Ų10159%0.58547%0.469SS*.Hα-helixtrans-56.3-39.2175.1-73.6-171.3-66.9-99.10.2111.9A22 A23 N29 R30A22-R26 WeakPolarHBondContact O-CG 3.43Å; A22-R26 PolarHBondContact O-N 2.76Å; A23-R26 PolarHBondContact O-N 3.11Å; R26-N29 PolarHBondContact O-N 3.37Å; R26-R30 PolarHBondContact O-N 3.05Å
27R85Confident86.9Confident66 Ų66100.1 Ų100.125%0.24947%0.472CS..Hα-helixtrans-67.3-41.8177.2-171178.1-174.9-133.7-0.3112.4A23 R24 Q25 N29 R30 Q31 T153A23-R27 WeakPolarHBondContact O-CB 3.28Å; A23-R27 PolarHBondContact O-N 3.01Å; R24-R27 WeakPolarHBondContact O-CB 3.23Å; R24-R27 PolarHBondContact O-N 3.06Å; Q25-R27 PolarHBondContact O-N 3.46Å; R27-N29 VanDerWaalsContact C-N 3.32Å; R27-R30 PolarHBondContact O-N 3.31Å; R27-Q31 WeakPolarHBondContact O-CB 3.4Å; R27-Q31 PolarHBondContact O-N 3.27Å; R27-T153 VanDerWaalsContact NE-CG2 3.3Å
28I87.4Confident86.9Confident82 Ų8295.1 Ų95.142%0.42146%0.461SS..Hα-helixtrans-59.5-47.5175.3-68.2166.3000109.5R24 Q25 R30 Q31 L32R24-I28 WeakPolarHBondContact O-CG1 3.4Å; R24-I28 PolarHBondContact O-N 2.68Å; Q25-I28 PolarHBondContact O-N 3.33Å; Q25-I28 VanDerWaalsContact O-N 3.12Å; I28-R30 PolarHBondContact O-N 2.99Å; I28-Q31 WeakPolarHBondContact O-CB 3.42Å; I28-Q31 PolarHBondContact O-N 3.12Å; I28-Q31 VanDerWaalsContact O-N 3.13Å; I28-L32 HydrophobicContact CG2-CD1 4.19Å; I28-L32 WeakPolarHBondContact O-CG 3.38Å; I28-L32 PolarHBondContact O-N 3.26Å
29N90.4Very high86.4Confident84 Ų8494.3 Ų94.345%0.44945%0.453SS..Hα-helixtrans-61.4-44.5179.5-65.66000111.8Q25 R26 R27 Q31 L32 E33Q25-N29 PolarHBondContact NE2-OD1 2.76Å; Q25-N29 PolarHBondContact O-N 3.13Å; Q25-N29 PolarHBondContact O-OD1 3.47Å; R26-N29 PolarHBondContact O-N 3.37Å; R27-N29 VanDerWaalsContact C-N 3.32Å; N29-Q31 VanDerWaalsContact C-N 3.28Å; N29-Q31 PolarHBondContact O-N 3Å; N29-L32 PolarHBondContact O-N 3.11Å; N29-E33 PolarHBondContact O-N 3.47Å
30R89.5Confident85.6Confident170 Ų17096.4 Ų96.464%0.64246%0.461SS*.Hα-helixtrans-60.9-37.8174.8-176.8178.4-68.2-157-2.7112.4R26 R27 I28 A34R26-R30 PolarHBondContact O-N 3.05Å; R27-R30 PolarHBondContact O-N 3.31Å; I28-R30 PolarHBondContact O-N 2.99Å; R30-A34 WeakPolarHBondContact O-CB 3.44Å; R30-A34 PolarHBondContact O-N 2.96Å
31Q85.8Confident84.6Confident121 Ų12198.6 Ų98.657%0.56547%0.468SS*.Hα-helixtrans-67.1-39.6176.8-175.5175.75.700111.5R27 I28 N29 A34 L35R27-Q31 WeakPolarHBondContact O-CB 3.4Å; R27-Q31 PolarHBondContact O-N 3.27Å; I28-Q31 WeakPolarHBondContact O-CB 3.42Å; I28-Q31 PolarHBondContact O-N 3.12Å; I28-Q31 VanDerWaalsContact O-N 3.13Å; N29-Q31 VanDerWaalsContact C-N 3.28Å; N29-Q31 PolarHBondContact O-N 3Å; Q31-A34 PolarHBondContact O-N 3.38Å; Q31-L35 WeakPolarHBondContact O-CG 3.25Å; Q31-L35 PolarHBondContact O-N 3.45Å
32L87.3Confident83.5Confident91 Ų9192.7 Ų92.748%0.47645%0.454SS..Hα-helixtrans-63.8-45.9175.1-68.4173.1000111.1I28 N29 A34 L35 E36I28-L32 HydrophobicContact CG2-CD1 4.19Å; I28-L32 WeakPolarHBondContact O-CG 3.38Å; I28-L32 PolarHBondContact O-N 3.26Å; N29-L32 PolarHBondContact O-N 3.11Å; L32-A34 VanDerWaalsContact C-N 3.31Å; L32-A34 PolarHBondContact O-N 3Å; L32-L35 WeakPolarHBondContact O-CB 3.37Å; L32-L35 PolarHBondContact O-N 3.44Å; L32-L35 VanDerWaalsContact O-N 3.11Å; L32-E36 WeakPolarHBondContact O-CG 3.38Å; L32-E36 PolarHBondContact O-N 3.33Å
33E88.4Confident82.4Confident111 Ų11193.6 Ų93.652%0.51945%0.453SS..Hα-helixtrans-58.9-41.7175.1-177.4-176.9-170.100112.1N29 L35 E36 N37N29-E33 PolarHBondContact O-N 3.47Å; E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 2.85Å; E33-E36 PolarHBondContact O-N 3.07Å; E33-N37 WeakPolarHBondContact O-CB 3.46Å; E33-N37 VanDerWaalsContact O-CG 3.29Å; E33-N37 PolarHBondContact O-N 3.34Å; E33-N37 PolarHBondContact O-ND2 3.3Å
34A86.7Confident81.3Confident57 Ų5798.4 Ų98.447%0.47148%0.483SS..Hα-helixtrans-63-40.1175.400000112.4R30 Q31 L32 N37 D38R30-A34 WeakPolarHBondContact O-CB 3.44Å; R30-A34 PolarHBondContact O-N 2.96Å; Q31-A34 PolarHBondContact O-N 3.38Å; L32-A34 VanDerWaalsContact C-N 3.31Å; L32-A34 PolarHBondContact O-N 3Å; A34-N37 PolarHBondContact O-N 3.44Å; A34-D38 PolarHBondContact O-N 3.4Å
35L85.9Confident80.3Confident100 Ų100101.2 Ų101.252%0.52450%0.498SS..Hα-helixtrans-68.4-34.8175.4-69.5171.8000112.1Q31 L32 E33 D38 N39Q31-L35 WeakPolarHBondContact O-CG 3.25Å; Q31-L35 PolarHBondContact O-N 3.45Å; L32-L35 WeakPolarHBondContact O-CB 3.37Å; L32-L35 PolarHBondContact O-N 3.44Å; L32-L35 VanDerWaalsContact O-N 3.11Å; E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 2.85Å; L35-D38 PolarHBondContact O-N 2.93Å; L35-N39 PolarHBondContact O-ND2 3.13Å
36E82.8Confident79.1Confident95 Ų9598.2 Ų98.244%0.44449%0.491SS..Hα-helixtrans-65.5-41.4174.3-73.9172.9179.300111.4L32 E33 N39L32-E36 WeakPolarHBondContact O-CG 3.38Å; L32-E36 PolarHBondContact O-N 3.33Å; E33-E36 PolarHBondContact O-N 3.07Å; E36-N39 PolarHBondContact O-ND2 2.88Å; E36-N39 VanDerWaalsContact O-ND2 3.07Å
37N82.2Confident77.9Confident87 Ų8794.4 Ų94.447%0.46550%0.5SS..Hα-helixtrans-71.3-27.7178.1-71.4-30000113.5E33 A34 N39 F40E33-N37 WeakPolarHBondContact O-CB 3.46Å; E33-N37 VanDerWaalsContact O-CG 3.29Å; E33-N37 PolarHBondContact O-N 3.34Å; E33-N37 PolarHBondContact O-ND2 3.3Å; A34-N37 PolarHBondContact O-N 3.44Å; N37-N39 PolarHBondContact O-N 2.77Å; N37-F40 PolarHBondContact O-N 3.04Å; N37-F40 VanDerWaalsContact O-N 3.17Å
38D80.5Confident76.9Confident103 Ų10396.1 Ų96.155%0.55151%0.513SS*.Hα-helixtrans-64.5-25.5178.6-161.248.3000112.5A34 L35 F40 Q41A34-D38 PolarHBondContact O-N 3.4Å; L35-D38 PolarHBondContact O-N 2.93Å; D38-F40 PolarHBondContact O-N 3.46Å; D38-F40 VanDerWaalsContact O-N 3.17Å; D38-Q41 WeakPolarHBondContact O-CG 3.36Å; D38-Q41 PolarHBondContact O-N 3.37Å
39N75Confident75.8Confident77 Ų7797.3 Ų97.341%0.41253%0.527SS..THydrogen-bonded Turntrans-59.9-27.5175.2-63.4-52.5000112.7L35 E36 N37 Q41 F80L35-N39 PolarHBondContact O-ND2 3.13Å; E36-N39 PolarHBondContact O-ND2 2.88Å; E36-N39 VanDerWaalsContact O-ND2 3.07Å; N37-N39 PolarHBondContact O-N 2.77Å; N39-Q41 VanDerWaalsContact C-N 3.29Å; N39-Q41 PolarHBondContact O-N 3.48Å; N39-F80 CarbonylContact C-O 3.6Å; N39-F80 WeakPolarHBondContact CB-O 3.27Å; N39-F80 CarbonylContact O-C 3.54Å
40F69Low74.3Confident83 Ų83102.5 Ų102.536%0.36455%0.548SS..THydrogen-bonded Turntrans-81-2.9-178.1-64.6-89.4000114.5N37 D38 R81 N83N37-F40 PolarHBondContact O-N 3.04Å; N37-F40 VanDerWaalsContact O-N 3.17Å; D38-F40 PolarHBondContact O-N 3.46Å; D38-F40 VanDerWaalsContact O-N 3.17Å; F40-R81 WeakPolarHBondContact CD1-O 3.44Å; F40-R81 WeakPolarHBondContact CE1-O 3.36Å; F40-N83 HydrophobicContact CE2-CB 3.87Å; F40-N83 HydrophobicContact CZ-CB 3.67Å
41Q68Low72.7Confident133 Ų133100.2 Ų100.262%0.62155%0.548SS*.SBendtrans-65.3138.3176.8-63.4-62-40.600110.4D38 N39 D43D38-Q41 WeakPolarHBondContact O-CG 3.36Å; D38-Q41 PolarHBondContact O-N 3.37Å; N39-Q41 VanDerWaalsContact C-N 3.29Å; N39-Q41 PolarHBondContact O-N 3.48Å; Q41-D43 PolarHBondContact O-N 2.89Å
42D64.4Low71.3Confident104 Ų10498 Ų9856%0.55656%0.557SS**PPolyproline II helixtrans-60.8128.1171.6-76.5-52.6000109.1P44 R81D42-P44 WeakPolarHBondContact O-CD 3.34Å; D42-R81 IonicContact OD1-CZ 3.23Å; D42-R81 VanDerWaalsContact OD1-CZ 3.23Å; D42-R81 IonicContact OD1-NH1 2.72Å; D42-R81 PolarHBondContact OD1-NH1 2.88Å; D42-R81 IonicContact OD1-NH2 2.82Å; D42-R81 PolarHBondContact OD1-NH2 3.11Å
43D66.1Low69.9Low62 Ų62101.8 Ų101.833%0.33257%0.57SS.*PPolyproline II helixtrans-53.8116.5173.1167.315000108.2Q41 H45 A46Q41-D43 PolarHBondContact O-N 2.89Å; D43-H45 PolarHBondContact O-N 3.09Å; D43-H45 WeakPolarHBondContact OD1-CA 3.45Å; D43-H45 VanDerWaalsContact OD1-CB 3.31Å; D43-H45 WeakPolarHBondContact OD1-CB 3.47Å; D43-H45 IonicContact OD1-CD2 2.84Å; D43-H45 PolarHBondContact OD1-CD2 3.37Å; D43-H45 IonicContact OD1-CG 3.78Å; D43-H45 PolarHBondContact OD1-N 2.73Å; D43-A46 HydrophobicContact CB-CB 4.03Å; D43-A46 WeakPolarHBondContact O-CB 3.26Å; D43-A46 PolarHBondContact O-N 2.86Å
44P65.4Low68.3Low118 Ų118107.5 Ų107.577%0.76659%0.587SS**THydrogen-bonded Turntrans-57.4-22.2-179-23.132.5000112.5D42D42-P44 WeakPolarHBondContact O-CD 3.34Å
45H67.3Low67Low126 Ų126112.4 Ų112.458%0.58360%0.604SS**THydrogen-bonded Turntrans-93.4-3.6179-55.3-81.2000113.4D43 G47 L48D43-H45 PolarHBondContact O-N 3.09Å; D43-H45 WeakPolarHBondContact OD1-CA 3.45Å; D43-H45 VanDerWaalsContact OD1-CB 3.31Å; D43-H45 WeakPolarHBondContact OD1-CB 3.47Å; D43-H45 IonicContact OD1-CD2 2.84Å; D43-H45 PolarHBondContact OD1-CD2 3.37Å; D43-H45 IonicContact OD1-CG 3.78Å; D43-H45 PolarHBondContact OD1-N 2.73Å; H45-G47 PolarHBondContact O-N 2.92Å; H45-G47 VanDerWaalsContact O-N 3.14Å; H45-L48 PolarHBondContact O-N 3.49Å
46A64.7Low66Low38 Ų38112.2 Ų112.231%0.31461%0.609SS.*THydrogen-bonded Turntrans-59.7-29.1-175.900000114D43 K77D43-A46 HydrophobicContact CB-CB 4.03Å; D43-A46 WeakPolarHBondContact O-CB 3.26Å; D43-A46 PolarHBondContact O-N 2.86Å; A46-K77 HydrophobicContact CB-CD 4.48Å; A46-K77 PolarHBondContact O-NZ 3.38Å
47G65.3Low64.9Low75 Ų75115.7 Ų115.777%0.77363%0.625SS**THydrogen-bonded Turntrans-102.1-4.5175.500000114.3H45H45-G47 PolarHBondContact O-N 2.92Å; H45-G47 VanDerWaalsContact O-N 3.14Å
48L62.4Low63.6Low102 Ų102119.5 Ų119.553%0.53464%0.638SS.*SBendtrans-79.9131.6178.9-146.476.2000108.5H45 Q50H45-L48 PolarHBondContact O-N 3.49Å; L48-Q50 PolarHBondContact O-N 3.36Å
49P65Low62.1Low107 Ų107120.3 Ų120.370%0.69564%0.642SS**  trans-52121.5172.4-23.531.7000108.6L51P49-L51 PolarHBondContact O-N 3.01Å
50Q58.6Low61.1Low192 Ų192122.6 Ų122.690%0.89765%0.654SS**  trans-49.7103.4179.8-161.9162.8-1.900107.7L48 G52L48-Q50 PolarHBondContact O-N 3.36Å; Q50-G52 PolarHBondContact O-N 3.38Å
51L56.2Low59.8Low123 Ų123126.2 Ų126.264%0.64468%0.677SS**  trans-76.172.7-172.9-134.2159.3000106.6P49 K53P49-L51 PolarHBondContact O-N 3.01Å; L51-K53 HydrophobicContact CD2-CG 4.22Å; L51-K53 PolarHBondContact O-N 2.97Å
52G56.6Low58.7Low74 Ų74123.6 Ų123.676%0.76368%0.679SS**THydrogen-bonded Turntrans-7448.2-162.600000114.6Q50Q50-G52 PolarHBondContact O-N 3.38Å
53K57.6Low57.5Low171 Ų171125.6 Ų125.674%0.74369%0.69SS**THydrogen-bonded Turntrans-140.64.1176.938.7175.9177.5-100.50116L51L51-K53 HydrophobicContact CD2-CG 4.22Å; L51-K53 PolarHBondContact O-N 2.97Å
54R54.2Low56.3Low231 Ų231128.6 Ų128.687%0.87271%0.71SS**SBendtrans-139.60.8-178.6-71.5-70.5-146.1-122.7-1.8116.3
55L60.6Low55Low160 Ų160126.3 Ų126.384%0.83871%0.708SS**SBendtrans-96.2132.4173.2-120.170.5000109.7Q57L55-Q57 PolarHBondContact O-N 3.15Å; L55-Q57 VanDerWaalsContact O-N 3.13Å
56P64.4Low53.6Low96 Ų96130.1 Ų130.162%0.62372%0.723SS**  trans-52.4120.5169.8-24.934.3000109.6F58P56-F58 HydrophobicContact CB-CE2 4.09Å; P56-F58 WeakPolarHBondContact O-CD2 3.46Å; P56-F58 PolarHBondContact O-N 2.92Å
57Q59.8Low52.4Low167 Ų167138.5 Ų138.578%0.7875%0.753SS**  trans-78.5104.7172-164.5174.9-29.400105.9L55 D59L55-Q57 PolarHBondContact O-N 3.15Å; L55-Q57 VanDerWaalsContact O-N 3.13Å; Q57-D59 PolarHBondContact O-N 3.22Å
58F54.4Low51.1Low168 Ų168143 Ų14374%0.73775%0.751SS**  trans-74.2104.8168.1-67.5-97000106.1P56 D60P56-F58 HydrophobicContact CB-CE2 4.09Å; P56-F58 WeakPolarHBondContact O-CD2 3.46Å; P56-F58 PolarHBondContact O-N 2.92Å; F58-D60 PolarHBondContact O-N 2.97Å
59D49.6Very low50.2Low119 Ų119148.6 Ų148.664%0.63677%0.771SS**  trans-63.9115.4166.7-94.2-69.1000107.5Q57 D61Q57-D59 PolarHBondContact O-N 3.22Å; D59-D61 PolarHBondContact O-N 3.49Å
60D52.7Low49.2Very low125 Ų125150.8 Ų150.867%0.66877%0.769SS**  trans-87.490.9168.5-139.3-64.2000103.6F58 A62F58-D60 PolarHBondContact O-N 2.97Å; D60-A62 PolarHBondContact O-N 3.47Å
61D42.1Very low48.4Very low159 Ų159146.8 Ų146.885%0.8576%0.758SS**  trans-6867.1171.9-82.1-65.6000109.3D59D59-D61 PolarHBondContact O-N 3.49Å
62A45.4Very low48.1Very low78 Ų78150 Ų15065%0.64576%0.762SS**  trans-11086.1159.800000106.5D60 T64D60-A62 PolarHBondContact O-N 3.47Å; A62-T64 PolarHBondContact O-N 3.46Å
63D38.8Very low47.7Very low147 Ų147148.2 Ų148.279%0.78674%0.743SS**  trans-46.5121.2168.1-172.9-91.8000110.5
64T40.4Very low47.3Very low124 Ų124144.5 Ų144.576%0.76173%0.732SS**  trans173.6111.5131.4320000110.7A62A62-T64 PolarHBondContact O-N 3.46Å
65G38.2Very low47.1Very low71 Ų71139.1 Ų139.173%0.73272%0.716SS**  trans58.4115.813200000120.2
66K38.8Very low46.6Very low205 Ų205137.3 Ų137.389%0.89170%0.702SS**  trans81.594.1149.3-54.7178.8-177.41770116.8K68K66-K68 PolarHBondContact O-N 2.88Å
67K39.5Very low46.1Very low215 Ų215136.4 Ų136.494%0.93569%0.688SS**  trans10.895.9141.6-63.9-171.5179.6-179.30115.4
68K37.2Very low45.9Very low168 Ų168132.5 Ų132.573%0.7367%0.672SS**  trans-153.1114.6140.1-134.7174.3-169.2-179.70107K66 K70K66-K68 PolarHBondContact O-N 2.88Å; K68-K70 HydrophobicContact CB-CG 4.04Å; K68-K70 HydrophobicContact CD-CG 4.42Å; K68-K70 HydrophobicContact CG-CG 4.32Å; K68-K70 PolarHBondContact O-N 2.9Å
69K44.1Very low45.9Very low221 Ų221132.3 Ų132.396%0.96167%0.666SS**  trans-64.263.6170.3-170.4179.6-178.5-179.40108.3T71K69-T71 PolarHBondContact O-N 3.07Å
70K43.3Very low46.4Very low153 Ų153131.7 Ų131.767%0.66566%0.658SS**  trans-81.599.5171.8-68.2-169.6-175.5-176.70105.2K68 R72K68-K70 HydrophobicContact CB-CG 4.04Å; K68-K70 HydrophobicContact CD-CG 4.42Å; K68-K70 HydrophobicContact CG-CG 4.32Å; K68-K70 PolarHBondContact O-N 2.9Å; K70-R72 PolarHBondContact O-N 3.39Å
71T43.2Very low47.1Very low107 Ų107131.2 Ų131.266%0.65665%0.647SS**  trans24.759.2140.749.10000115.6K69 G73 D74K69-T71 PolarHBondContact O-N 3.07Å; T71-G73 PolarHBondContact O-N 3.13Å; T71-D74 PolarHBondContact O-N 3.18Å
72R49.9Very low48.6Very low191 Ų191126.3 Ų126.372%0.72162%0.618SS**Hα-helixtrans-61.6-12.7169.8-161.5-179.1127.3145.70.1111.2K70K70-R72 PolarHBondContact O-N 3.39Å
73G47.5Very low50.2Low37 Ų37125.3 Ų125.338%0.38160%0.602SS.*Hα-helixtrans-69.5-25.7172.200000114.7T71 K77T71-G73 PolarHBondContact O-N 3.13Å; G73-K77 VanDerWaalsContact O-CB 3.27Å; G73-K77 WeakPolarHBondContact O-CB 3.49Å; G73-K77 WeakPolarHBondContact O-CD 3.48Å; G73-K77 WeakPolarHBondContact O-CG 3.28Å; G73-K77 PolarHBondContact O-N 3.22Å; G73-K77 VanDerWaalsContact O-N 3.08Å
74D49.3Very low52.2Low93 Ų93122.7 Ų122.750%0.49758%0.584SS.*Hα-helixtrans-79.7-41-173.8-125.6-16.5000112.1T71 F76 K77 L78T71-D74 PolarHBondContact O-N 3.18Å; D74-F76 VanDerWaalsContact C-N 3.31Å; D74-F76 PolarHBondContact O-N 2.94Å; D74-K77 PolarHBondContact O-N 2.94Å; D74-L78 WeakPolarHBondContact O-CB 3.49Å; D74-L78 WeakPolarHBondContact O-CD1 3.42Å; D74-L78 PolarHBondContact O-N 2.95Å
75H50.6Low54.3Low117 Ų117121.6 Ų121.654%0.54257%0.57SS.*Hα-helixtrans-72-26.9179.2-148.7-82.9000112.9R79H75-R79 PolarHBondContact CE1-NH2 3.07Å; H75-R79 VanDerWaalsContact CE1-NH2 3.26Å; H75-R79 PolarHBondContact ND1-NH1 2.63Å; H75-R79 VanDerWaalsContact O-CG 3.31Å; H75-R79 WeakPolarHBondContact O-CG 3.48Å; H75-R79 PolarHBondContact O-N 3.26Å
76F50.4Low56.6Low122 Ų122119.6 Ų119.654%0.53555%0.547SS..Hα-helixtrans-71.8-49.3170.1-168.1-105.1000109.6D74 L78 R79 F80D74-F76 VanDerWaalsContact C-N 3.31Å; D74-F76 PolarHBondContact O-N 2.94Å; F76-L78 PolarHBondContact O-N 3.4Å; F76-R79 PolarHBondContact O-N 2.94Å; F76-F80 HydrophobicContact CD1-CD2 4.32Å; F76-F80 AromaticContact CD1-CE2 3.64Å; F76-F80 HydrophobicContact CD1-CE2 3.64Å; F76-F80 AromaticContact CD2-CE2 3.78Å; F76-F80 HydrophobicContact CD2-CE2 3.78Å; F76-F80 HydrophobicContact CD2-CZ 4.32Å; F76-F80 HydrophobicContact CE1-CD2 4.32Å; F76-F80 AromaticContact CE1-CE2 3.43Å; F76-F80 HydrophobicContact CE1-CE2 3.43Å; F76-F80 VanDerWaalsContact CE1-CE2 3.43Å; F76-F80 HydrophobicContact CE1-CZ 4.06Å; F76-F80 AromaticContact CE2-CE2 3.58Å; F76-F80 HydrophobicContact CE2-CE2 3.58Å; F76-F80 AromaticContact CE2-CZ 3.73Å; F76-F80 HydrophobicContact CE2-CZ 3.73Å; F76-F80 AromaticContact CG-CE2 3.81Å; F76-F80 HydrophobicContact CG-CE2 3.81Å; F76-F80 AromaticContact CZ-CE2 3.4Å; F76-F80 HydrophobicContact CZ-CE2 3.4Å; F76-F80 VanDerWaalsContact CZ-CE2 3.4Å; F76-F80 AromaticContact CZ-CZ 3.58Å; F76-F80 HydrophobicContact CZ-CZ 3.58Å; F76-F80 WeakPolarHBondContact O-CD2 3.23Å; F76-F80 VanDerWaalsContact O-CE2 3.25Å; F76-F80 WeakPolarHBondContact O-CE2 3.45Å
77K53.6Low58.7Low77 Ų77113.3 Ų113.334%0.33552%0.522SS..Hα-helixtrans-64.4-38.1179.7-72172.2-178-170.30113.8A46 G73 D74 R81A46-K77 HydrophobicContact CB-CD 4.48Å; A46-K77 PolarHBondContact O-NZ 3.38Å; G73-K77 VanDerWaalsContact O-CB 3.27Å; G73-K77 WeakPolarHBondContact O-CB 3.49Å; G73-K77 WeakPolarHBondContact O-CD 3.48Å; G73-K77 WeakPolarHBondContact O-CG 3.28Å; G73-K77 PolarHBondContact O-N 3.22Å; G73-K77 VanDerWaalsContact O-N 3.08Å; D74-K77 PolarHBondContact O-N 2.94Å; K77-R81 WeakPolarHBondContact O-CD 3.36Å; K77-R81 VanDerWaalsContact O-CG 3.28Å; K77-R81 WeakPolarHBondContact O-CG 3.46Å
78L54.4Low60.9Low85 Ų85105 Ų10545%0.44549%0.488SS..Hα-helixtrans-70.6-34.7178.4-102.593.6000113D74 F76 F80 R81D74-L78 WeakPolarHBondContact O-CB 3.49Å; D74-L78 WeakPolarHBondContact O-CD1 3.42Å; D74-L78 PolarHBondContact O-N 2.95Å; F76-L78 PolarHBondContact O-N 3.4Å; L78-F80 PolarHBondContact O-N 3.21Å; L78-R81 PolarHBondContact O-N 3.47Å; L78-R81 VanDerWaalsContact O-N 3.08Å
79R55.6Low63.3Low165 Ų165101.9 Ų101.962%0.62348%0.476SS*.Hα-helixtrans-63.2-30.9-179.8-85.1-179.1170.4136-2.2112.9H75 F76H75-R79 PolarHBondContact CE1-NH2 3.07Å; H75-R79 VanDerWaalsContact CE1-NH2 3.26Å; H75-R79 PolarHBondContact ND1-NH1 2.63Å; H75-R79 VanDerWaalsContact O-CG 3.31Å; H75-R79 WeakPolarHBondContact O-CG 3.48Å; H75-R79 PolarHBondContact O-N 3.26Å; F76-R79 PolarHBondContact O-N 2.94Å
80F59Low65.2Low105 Ų10596 Ų9646%0.46145%0.452SS..Hα-helixtrans-78-20.5175.7-63-72.8000112.9N39 F76 L78 K82N39-F80 CarbonylContact C-O 3.6Å; N39-F80 WeakPolarHBondContact CB-O 3.27Å; N39-F80 CarbonylContact O-C 3.54Å; F76-F80 HydrophobicContact CD1-CD2 4.32Å; F76-F80 AromaticContact CD1-CE2 3.64Å; F76-F80 HydrophobicContact CD1-CE2 3.64Å; F76-F80 AromaticContact CD2-CE2 3.78Å; F76-F80 HydrophobicContact CD2-CE2 3.78Å; F76-F80 HydrophobicContact CD2-CZ 4.32Å; F76-F80 HydrophobicContact CE1-CD2 4.32Å; F76-F80 AromaticContact CE1-CE2 3.43Å; F76-F80 HydrophobicContact CE1-CE2 3.43Å; F76-F80 VanDerWaalsContact CE1-CE2 3.43Å; F76-F80 HydrophobicContact CE1-CZ 4.06Å; F76-F80 AromaticContact CE2-CE2 3.58Å; F76-F80 HydrophobicContact CE2-CE2 3.58Å; F76-F80 AromaticContact CE2-CZ 3.73Å; F76-F80 HydrophobicContact CE2-CZ 3.73Å; F76-F80 AromaticContact CG-CE2 3.81Å; F76-F80 HydrophobicContact CG-CE2 3.81Å; F76-F80 AromaticContact CZ-CE2 3.4Å; F76-F80 HydrophobicContact CZ-CE2 3.4Å; F76-F80 VanDerWaalsContact CZ-CE2 3.4Å; F76-F80 AromaticContact CZ-CZ 3.58Å; F76-F80 HydrophobicContact CZ-CZ 3.58Å; F76-F80 WeakPolarHBondContact O-CD2 3.23Å; F76-F80 VanDerWaalsContact O-CE2 3.25Å; F76-F80 WeakPolarHBondContact O-CE2 3.45Å; L78-F80 PolarHBondContact O-N 3.21Å; F80-K82 PolarHBondContact O-N 3.05Å
81R67.5Low67.1Low115 Ų11593.6 Ų93.643%0.43444%0.443SS..THydrogen-bonded Turntrans-91.27.7-171.6-64.5174.199.993.92.7114.8F40 D42 K77 L78F40-R81 WeakPolarHBondContact CD1-O 3.44Å; F40-R81 WeakPolarHBondContact CE1-O 3.36Å; D42-R81 IonicContact OD1-CZ 3.23Å; D42-R81 VanDerWaalsContact OD1-CZ 3.23Å; D42-R81 IonicContact OD1-NH1 2.72Å; D42-R81 PolarHBondContact OD1-NH1 2.88Å; D42-R81 IonicContact OD1-NH2 2.82Å; D42-R81 PolarHBondContact OD1-NH2 3.11Å; K77-R81 WeakPolarHBondContact O-CD 3.36Å; K77-R81 VanDerWaalsContact O-CG 3.28Å; K77-R81 WeakPolarHBondContact O-CG 3.46Å; L78-R81 PolarHBondContact O-N 3.47Å; L78-R81 VanDerWaalsContact O-N 3.08Å
82K73Confident68.9Low57 Ų5794.9 Ų94.925%0.24845%0.446CS..  trans-110.5130.3179.8-64.6-171.7-174.3-1730109.3F80 A86 L87 E90F80-K82 PolarHBondContact O-N 3.05Å; K82-A86 HydrophobicContact CB-CB 4.14Å; K82-A86 HydrophobicContact CG-CB 4.49Å; K82-L87 HydrophobicContact CB-CD2 3.95Å; K82-L87 HydrophobicContact CB-CG 3.94Å; K82-L87 HydrophobicContact CD-CD2 3.97Å; K82-E90 IonicContact NZ-OE1 2.62Å; K82-E90 PolarHBondContact NZ-OE1 3.02Å; K82-E90 IonicContact NZ-OE2 3.48Å; K82-E90 PolarHBondContact NZ-OE2 2.87Å
83N79.9Confident70.4Confident56 Ų5692.6 Ų92.630%0.29945%0.447SS..  trans-68.7166.6165.962.137.8000109.9F40 Q85 A86 L87F40-N83 HydrophobicContact CE2-CB 3.87Å; F40-N83 HydrophobicContact CZ-CB 3.67Å; N83-Q85 PolarHBondContact O-N 3.41Å; N83-Q85 WeakPolarHBondContact OD1-CA 3.07Å; N83-Q85 WeakPolarHBondContact OD1-CB 3.42Å; N83-Q85 PolarHBondContact OD1-N 2.99Å; N83-Q85 VanDerWaalsContact OD1-N 3.16Å; N83-A86 PolarHBondContact O-N 2.9Å; N83-A86 WeakPolarHBondContact OD1-CB 3.47Å; N83-A86 PolarHBondContact OD1-N 3.47Å; N83-L87 PolarHBondContact O-N 3.4Å; N83-L87 VanDerWaalsContact O-N 3.16Å
84F81.5Confident72Confident92 Ų9293.2 Ų93.240%0.40445%0.446SS..Hα-helixtrans-54.6-39.7178.3175.7-110.1000112.5L87 L88 Y101F84-L87 PolarHBondContact O-N 3.38Å; F84-L88 HydrophobicContact CD1-CD1 4.19Å; F84-L88 HydrophobicContact CE1-CD1 3.54Å; F84-L88 HydrophobicContact CE1-CG 4.2Å; F84-L88 HydrophobicContact CE2-CD1 4.44Å; F84-L88 HydrophobicContact CE2-CD2 4.3Å; F84-L88 HydrophobicContact CE2-CG 4.28Å; F84-L88 HydrophobicContact CZ-CD1 3.66Å; F84-L88 HydrophobicContact CZ-CD2 4.07Å; F84-L88 HydrophobicContact CZ-CG 3.97Å; F84-L88 WeakPolarHBondContact O-CG 3.43Å; F84-L88 PolarHBondContact O-N 3.37Å; F84-L88 VanDerWaalsContact O-N 3.11Å; F84-Y101 HydrophobicContact CE2-CD2 4.08Å; F84-Y101 HydrophobicContact CE2-CE1 4.2Å; F84-Y101 AromaticContact CE2-CE2 3.59Å; F84-Y101 HydrophobicContact CE2-CE2 3.59Å; F84-Y101 AromaticContact CE2-CZ 3.66Å; F84-Y101 HydrophobicContact CZ-CD1 4.17Å; F84-Y101 HydrophobicContact CZ-CD2 4.38Å; F84-Y101 AromaticContact CZ-CE1 3.55Å; F84-Y101 HydrophobicContact CZ-CE1 3.55Å; F84-Y101 AromaticContact CZ-CE2 3.78Å; F84-Y101 HydrophobicContact CZ-CE2 3.78Å; F84-Y101 AromaticContact CZ-CZ 3.31Å; F84-Y101 WeakPolarHBondContact CZ-OH 3.32Å
85Q84.7Confident73.2Confident102 Ų10295.6 Ų95.648%0.47746%0.463SS..Hα-helixtrans-63.3-43.7178.8-178.16222.700112.9N83 L87 L88 E89N83-Q85 PolarHBondContact O-N 3.41Å; N83-Q85 WeakPolarHBondContact OD1-CA 3.07Å; N83-Q85 WeakPolarHBondContact OD1-CB 3.42Å; N83-Q85 PolarHBondContact OD1-N 2.99Å; N83-Q85 VanDerWaalsContact OD1-N 3.16Å; Q85-L87 VanDerWaalsContact C-N 3.31Å; Q85-L87 PolarHBondContact O-N 3.22Å; Q85-L88 WeakPolarHBondContact O-CB 3.47Å; Q85-L88 PolarHBondContact O-N 3.18Å; Q85-L88 VanDerWaalsContact O-N 3.14Å; Q85-E89 PolarHBondContact NE2-OE1 3.36Å; Q85-E89 VanDerWaalsContact NE2-OE1 3.07Å; Q85-E89 WeakPolarHBondContact O-CG 3.45Å; Q85-E89 PolarHBondContact O-N 2.78Å
86A84.7Confident74.5Confident29 Ų2993.4 Ų93.424%0.2447%0.465CS..Hα-helixtrans-67.3-33.4178.800000111.8K82 N83 E89 E90K82-A86 HydrophobicContact CB-CB 4.14Å; K82-A86 HydrophobicContact CG-CB 4.49Å; N83-A86 PolarHBondContact O-N 2.9Å; N83-A86 WeakPolarHBondContact OD1-CB 3.47Å; N83-A86 PolarHBondContact OD1-N 3.47Å; A86-E89 PolarHBondContact O-N 3.48Å; A86-E90 WeakPolarHBondContact O-CB 3.27Å; A86-E90 PolarHBondContact O-N 3.37Å
87L84.4Confident75.7Confident73 Ų7397.2 Ų97.238%0.38249%0.485SS..Hα-helixtrans-66.6-37.2172.1-69.3173.5000111.9K82 N83 F84 Q85 Q91K82-L87 HydrophobicContact CB-CD2 3.95Å; K82-L87 HydrophobicContact CB-CG 3.94Å; K82-L87 HydrophobicContact CD-CD2 3.97Å; N83-L87 PolarHBondContact O-N 3.4Å; N83-L87 VanDerWaalsContact O-N 3.16Å; F84-L87 PolarHBondContact O-N 3.38Å; Q85-L87 VanDerWaalsContact C-N 3.31Å; Q85-L87 PolarHBondContact O-N 3.22Å; L87-Q91 WeakPolarHBondContact O-CB 3.41Å; L87-Q91 PolarHBondContact O-N 3.07Å; L87-Q91 VanDerWaalsContact O-N 3.13Å
88L86.1Confident77.1Confident40 Ų4095.7 Ų95.721%0.20949%0.491CS..Hα-helixtrans-66.8-43.5174.4-69.6-179.7000111.9F84 Q85 Q91 N92 Y101F84-L88 HydrophobicContact CD1-CD1 4.19Å; F84-L88 HydrophobicContact CE1-CD1 3.54Å; F84-L88 HydrophobicContact CE1-CG 4.2Å; F84-L88 HydrophobicContact CE2-CD1 4.44Å; F84-L88 HydrophobicContact CE2-CD2 4.3Å; F84-L88 HydrophobicContact CE2-CG 4.28Å; F84-L88 HydrophobicContact CZ-CD1 3.66Å; F84-L88 HydrophobicContact CZ-CD2 4.07Å; F84-L88 HydrophobicContact CZ-CG 3.97Å; F84-L88 WeakPolarHBondContact O-CG 3.43Å; F84-L88 PolarHBondContact O-N 3.37Å; F84-L88 VanDerWaalsContact O-N 3.11Å; Q85-L88 WeakPolarHBondContact O-CB 3.47Å; Q85-L88 PolarHBondContact O-N 3.18Å; Q85-L88 VanDerWaalsContact O-N 3.14Å; L88-Q91 PolarHBondContact O-N 3.35Å; L88-N92 WeakPolarHBondContact O-CB 3.48Å; L88-N92 PolarHBondContact O-N 3.17Å; L88-Y101 HydrophobicContact CD2-CD1 3.51Å; L88-Y101 HydrophobicContact CD2-CD2 4.48Å; L88-Y101 HydrophobicContact CD2-CE1 4.29Å; L88-Y101 HydrophobicContact CD2-CG 3.64Å
89E86.5Confident78.4Confident103 Ų10397.5 Ų97.548%0.48151%0.507SS..Hα-helixtrans-62.9-44.1178.2-73.5168.8-167.900111.9Q85 A86 Q91 N92 L93Q85-E89 PolarHBondContact NE2-OE1 3.36Å; Q85-E89 VanDerWaalsContact NE2-OE1 3.07Å; Q85-E89 WeakPolarHBondContact O-CG 3.45Å; Q85-E89 PolarHBondContact O-N 2.78Å; A86-E89 PolarHBondContact O-N 3.48Å; E89-Q91 PolarHBondContact O-N 3.49Å; E89-N92 PolarHBondContact O-N 3.17Å; E89-L93 WeakPolarHBondContact O-CB 3.47Å; E89-L93 VanDerWaalsContact O-CG 3.29Å; E89-L93 WeakPolarHBondContact O-CG 3.46Å; E89-L93 PolarHBondContact O-N 3.29Å
90E84.6Confident79.8Confident97 Ų9792.4 Ų92.445%0.45349%0.493SS..Hα-helixtrans-61.5-43.9175.9178174.9-144.100112.3K82 A86 L93 S94K82-E90 IonicContact NZ-OE1 2.62Å; K82-E90 PolarHBondContact NZ-OE1 3.02Å; K82-E90 IonicContact NZ-OE2 3.48Å; K82-E90 PolarHBondContact NZ-OE2 2.87Å; A86-E90 WeakPolarHBondContact O-CB 3.27Å; A86-E90 PolarHBondContact O-N 3.37Å; E90-L93 PolarHBondContact O-N 3.19Å; E90-S94 PolarHBondContact O-N 3.05Å
91Q82.7Confident81Confident102 Ų10293.3 Ų93.348%0.47749%0.494SS..Hα-helixtrans-63.8-41.4175.4-86.7-77.20.600111.8L87 L88 E89 L93 S94L87-Q91 WeakPolarHBondContact O-CB 3.41Å; L87-Q91 PolarHBondContact O-N 3.07Å; L87-Q91 VanDerWaalsContact O-N 3.13Å; L88-Q91 PolarHBondContact O-N 3.35Å; E89-Q91 PolarHBondContact O-N 3.49Å; Q91-L93 VanDerWaalsContact C-N 3.29Å; Q91-L93 PolarHBondContact O-N 3.39Å; Q91-S94 WeakPolarHBondContact O-CB 3.41Å; Q91-S94 PolarHBondContact O-N 3.31Å; Q91-S94 PolarHBondContact O-OG 3.4Å; Q91-S94 PolarHBondContact OE1-OG 3.13Å
92N81.3Confident81.7Confident134 Ų13493.4 Ų93.472%0.71750%0.503SS*.Hα-helixtrans-67.5-29.5178.3-167.972.5000113L88 E89 S94L88-N92 WeakPolarHBondContact O-CB 3.48Å; L88-N92 PolarHBondContact O-N 3.17Å; E89-N92 PolarHBondContact O-N 3.17Å; N92-S94 VanDerWaalsContact C-N 3.33Å
93L82.1Confident82.2Confident143 Ų14395.3 Ų95.375%0.74952%0.519SS*.Hα-helixtrans-79.7-16.8172-69.9168.3000112.8E89 E90 Q91E89-L93 WeakPolarHBondContact O-CB 3.47Å; E89-L93 VanDerWaalsContact O-CG 3.29Å; E89-L93 WeakPolarHBondContact O-CG 3.46Å; E89-L93 PolarHBondContact O-N 3.29Å; E90-L93 PolarHBondContact O-N 3.19Å; Q91-L93 VanDerWaalsContact C-N 3.29Å; Q91-L93 PolarHBondContact O-N 3.39Å
94S79.7Confident82.5Confident50 Ų5096.1 Ų96.135%0.3553%0.534SS..  trans-76.3137.1179.583.80000110.8E90 Q91 N92 A96E90-S94 PolarHBondContact O-N 3.05Å; Q91-S94 WeakPolarHBondContact O-CB 3.41Å; Q91-S94 PolarHBondContact O-N 3.31Å; Q91-S94 PolarHBondContact O-OG 3.4Å; Q91-S94 PolarHBondContact OE1-OG 3.13Å; N92-S94 VanDerWaalsContact C-N 3.33Å; S94-A96 PolarHBondContact O-N 3.38Å
95V75.9Confident82.6Confident143 Ų14395.1 Ų95.187%0.86754%0.537SS*.  trans-79.711.2177.2-169.70000111.3E97V95-E97 PolarHBondContact O-N 3.5Å
96A76Confident82.6Confident71 Ų7194.8 Ų94.859%0.58755%0.552SS**  trans-71.2116.7-174.400000110.7S94 G98S94-A96 PolarHBondContact O-N 3.38Å; A96-G98 PolarHBondContact O-N 2.96Å
97E76.2Confident82.8Confident203 Ų20396.3 Ų96.395%0.94957%0.57SS**  trans-74.819179-60.2-173.2151.200113.9V95V95-E97 PolarHBondContact O-N 3.5Å
98G82.3Confident83Confident44 Ų4498.8 Ų98.845%0.45459%0.591SS.*SBendtrans-88.2172.7-177.200000114.1A96 N100A96-G98 PolarHBondContact O-N 2.96Å; G98-N100 PolarHBondContact O-N 3.14Å; G98-N100 VanDerWaalsContact O-N 3.1Å
99P83.6Confident83.2Confident123 Ų123101.9 Ų101.980%0.79961%0.613SS**PPolyproline II helixtrans-60.3116.3171.126.5-33.3000109.8
100N84.3Confident83.5Confident58 Ų58102.8 Ų102.831%0.3163%0.631SS.*PPolyproline II helixtrans-93.4172.4176.569.122.3000111.2G98 L102 T103 A104G98-N100 PolarHBondContact O-N 3.14Å; G98-N100 VanDerWaalsContact O-N 3.1Å; N100-L102 VanDerWaalsContact C-N 3.26Å; N100-L102 PolarHBondContact O-N 3.11Å; N100-L102 PolarHBondContact OD1-N 3.44Å; N100-L102 VanDerWaalsContact OD1-N 3.16Å; N100-T103 PolarHBondContact N-OG1 3.2Å; N100-T103 PolarHBondContact O-N 3.16Å; N100-T103 PolarHBondContact O-OG1 3.16Å; N100-T103 WeakPolarHBondContact OD1-CB 3.43Å; N100-T103 WeakPolarHBondContact OD1-CG2 3.3Å; N100-T103 PolarHBondContact OD1-N 2.73Å; N100-T103 PolarHBondContact OD1-OG1 3.25Å; N100-A104 WeakPolarHBondContact O-CB 3.37Å; N100-A104 PolarHBondContact O-N 3.07Å
101Y83.3Confident83.8Confident124 Ų124108.1 Ų108.149%0.48665%0.647SS.*THydrogen-bonded Turntrans-54.3-40.5179.7179.4-90000113.2F84 L88 C105F84-Y101 HydrophobicContact CE2-CD2 4.08Å; F84-Y101 HydrophobicContact CE2-CE1 4.2Å; F84-Y101 AromaticContact CE2-CE2 3.59Å; F84-Y101 HydrophobicContact CE2-CE2 3.59Å; F84-Y101 AromaticContact CE2-CZ 3.66Å; F84-Y101 HydrophobicContact CZ-CD1 4.17Å; F84-Y101 HydrophobicContact CZ-CD2 4.38Å; F84-Y101 AromaticContact CZ-CE1 3.55Å; F84-Y101 HydrophobicContact CZ-CE1 3.55Å; F84-Y101 AromaticContact CZ-CE2 3.78Å; F84-Y101 HydrophobicContact CZ-CE2 3.78Å; F84-Y101 AromaticContact CZ-CZ 3.31Å; F84-Y101 WeakPolarHBondContact CZ-OH 3.32Å; L88-Y101 HydrophobicContact CD2-CD1 3.51Å; L88-Y101 HydrophobicContact CD2-CD2 4.48Å; L88-Y101 HydrophobicContact CD2-CE1 4.29Å; L88-Y101 HydrophobicContact CD2-CG 3.64Å; Y101-C105 PolarHBondContact O-N 3.42Å; Y101-C105 PolarHBondContact O-SG 3.3Å
102L81.9Confident84.2Confident118 Ų118108.9 Ų108.962%0.61866%0.661SS**THydrogen-bonded Turntrans-73-35.2-177.3-62.9176.6000112.7N100 C105N100-L102 VanDerWaalsContact C-N 3.26Å; N100-L102 PolarHBondContact O-N 3.11Å; N100-L102 PolarHBondContact OD1-N 3.44Å; N100-L102 VanDerWaalsContact OD1-N 3.16Å; L102-C105 VanDerWaalsContact O-CB 3.32Å; L102-C105 WeakPolarHBondContact O-CB 3.31Å; L102-C105 PolarHBondContact O-N 3.34Å
103T85.3Confident84.6Confident97 Ų97111.2 Ų111.260%0.59567%0.667SS**THydrogen-bonded Turntrans-77-29.9176.357.90000112N100 C105N100-T103 PolarHBondContact N-OG1 3.2Å; N100-T103 PolarHBondContact O-N 3.16Å; N100-T103 PolarHBondContact O-OG1 3.16Å; N100-T103 WeakPolarHBondContact OD1-CB 3.43Å; N100-T103 WeakPolarHBondContact OD1-CG2 3.3Å; N100-T103 PolarHBondContact OD1-N 2.73Å; N100-T103 PolarHBondContact OD1-OG1 3.25Å; T103-C105 PolarHBondContact O-N 3.08Å
104A84.8Confident85.1Confident73 Ų73111.7 Ų111.760%0.60366%0.659SS**THydrogen-bonded Turntrans-821.717400000113.4N100 A106N100-A104 WeakPolarHBondContact O-CB 3.37Å; N100-A104 PolarHBondContact O-N 3.07Å; A104-A106 PolarHBondContact O-N 2.82Å; A104-A106 VanDerWaalsContact O-N 3.11Å
105C84Confident85.8Confident70 Ų70112 Ų11247%0.47366%0.66SS.*PPolyproline II helixtrans-60.6117.3177.5-80.10000110.5Y101 L102 T103Y101-C105 PolarHBondContact O-N 3.42Å; Y101-C105 PolarHBondContact O-SG 3.3Å; L102-C105 VanDerWaalsContact O-CB 3.32Å; L102-C105 WeakPolarHBondContact O-CB 3.31Å; L102-C105 PolarHBondContact O-N 3.34Å; T103-C105 PolarHBondContact O-N 3.08Å
106A85.8Confident86.7Confident96 Ų96110.3 Ų110.379%0.79364%0.641SS**PPolyproline II helixtrans-64.9142.5171.500000109.9A104A104-A106 PolarHBondContact O-N 2.82Å; A104-A106 VanDerWaalsContact O-N 3.11Å
107G87.5Confident87.7Confident61 Ų61107.1 Ų107.163%0.62962%0.615SS**PPolyproline II helixtrans-61.1172.9170.600000112.7
108P89Confident88.4Confident125 Ų125100.1 Ų100.181%0.81259%0.591SS**SBendtrans-56.7145.3-179.424.4-33.8000111.5S110P108-S110 PolarHBondContact O-N 2.72Å
109P90.4Very high89Confident105 Ų10599.9 Ų99.968%0.68258%0.581SS**PPolyproline II helixtrans-65.4128-176.826.9-34.1000110.8R111P109-R111 PolarHBondContact O-N 2.85Å
110S92.7Very high89.5Confident122 Ų12296.5 Ų96.585%0.85356%0.56SS**SBendtrans-70.3-19.7175.9171.40000113.2P108P108-S110 PolarHBondContact O-N 2.72Å
111R91.7Very high90Very high208 Ų20895.9 Ų95.979%0.78557%0.567SS**SBendtrans-116.6149.5-177.9-62.5-173-169.9101.90.5111.2P109P109-R111 PolarHBondContact O-N 2.85Å
112P90.5Very high90.6Very high118 Ų11896.7 Ų96.777%0.76657%0.573SS**PPolyproline II helixtrans-62.3150.917727.1-35.3000111.5R114P112-R114 PolarHBondContact O-N 2.98Å
113Q90Very high91.3Very high183 Ų18394.5 Ų94.586%0.85557%0.566SS**PPolyproline II helixtrans-59.8133177.4-67.7-170-2.500111
114R92.2Very high91.7Very high153 Ų15390 Ų9058%0.57754%0.539SS*.PPolyproline II helixtrans-89.8124.5179.3-64-176.274.5-108.17.7110P112 F116P112-R114 PolarHBondContact O-N 2.98Å; R114-F116 HydrophobicContact CB-CE2 4.1Å; R114-F116 HydrophobicContact CB-CZ 4.23Å; R114-F116 VanDerWaalsContact O-CD2 3.3Å; R114-F116 WeakPolarHBondContact O-CD2 3.39Å; R114-F116 PolarHBondContact O-N 3.48Å
115P93.5Very high92.1Very high56 Ų5690.5 Ų90.536%0.36454%0.536SS..PPolyproline II helixtrans-78.1122.8178.528.9-33000111.5S124 R134P115-S124 VanDerWaalsContact C-OG 3.22Å; P115-S124 WeakPolarHBondContact CB-O 3.24Å; P115-S124 VanDerWaalsContact CG-O 3.31Å; P115-S124 WeakPolarHBondContact CG-O 3.38Å; P115-S124 PolarHBondContact O-N 3.45Å; P115-S124 PolarHBondContact O-OG 3.27Å; P115-R134 HydrophobicContact CB-CG 4.24Å
116F96.3Very high92.7Very high108 Ų10893.2 Ų93.247%0.47454%0.537SS..BIsolated β-bridgetrans-108.9146.1176.9-65.1-74000112.7R114 A118 G121 S124 R134R114-F116 HydrophobicContact CB-CE2 4.1Å; R114-F116 HydrophobicContact CB-CZ 4.23Å; R114-F116 VanDerWaalsContact O-CD2 3.3Å; R114-F116 WeakPolarHBondContact O-CD2 3.39Å; R114-F116 PolarHBondContact O-N 3.48Å; F116-A118 PolarHBondContact O-N 2.74Å; F116-G121 WeakPolarHBondContact CD1-O 3.33Å; F116-S124 WeakPolarHBondContact CA-OG 3.38Å; F116-S124 PolarHBondContact N-OG 3.11Å; F116-S124 PolarHBondContact O-OG 3.23Å; F116-R134 WeakPolarHBondContact O-CB 3.41Å
117C95.6Very high93.1Very high5 Ų591 Ų913%0.03451%0.514CS..  trans-67.4124.2179.5-178.40000110V119 C120 G121 F122 S124 C136C117-V119 PolarHBondContact O-N 3.22Å; C117-C120 VanDerWaalsContact CB-SG 3.57Å; C117-C120 PolarHBondContact SG-SG 3.16Å; C117-G121 WeakPolarHBondContact O-CA 3.41Å; C117-G121 PolarHBondContact O-N 3.16Å; C117-F122 VanDerWaalsContact CB-O 3.24Å; C117-F122 WeakPolarHBondContact CB-O 3.05Å; C117-F122 PolarHBondContact N-O 3.36Å; C117-S124 PolarHBondContact N-OG 3.27Å; C117-C136 HydrophobicContact CB-CB 4.1Å; C117-C136 PolarHBondContact SG-N 3.14Å
118A91.6Very high93.3Very high55 Ų5588.3 Ų88.346%0.45549%0.485SS..THydrogen-bonded Turntrans-67-8.217900000114.2F116 R134F116-A118 PolarHBondContact O-N 2.74Å; A118-R134 PolarHBondContact N-O 3.39Å
119V93.8Very high93.3Very high40 Ų4087.4 Ų87.424%0.24248%0.477CS..THydrogen-bonded Turntrans-100.4-45.3-179.2178.40000111.8C117 C140 T143 H144C117-V119 PolarHBondContact O-N 3.22Å; V119-C140 HydrophobicContact CB-CB 4.05Å; V119-C140 HydrophobicContact CG1-CB 4.36Å; V119-C140 HydrophobicContact CG2-CB 4.18Å; V119-C140 WeakPolarHBondContact CG2-O 3.29Å; V119-T143 VanDerWaalsContact CG1-OG1 3.27Å; V119-T143 WeakPolarHBondContact CG1-OG1 3.42Å; V119-H144 HydrophobicContact CG2-CB 4.03Å
120C95.4Very high93.2Very high52 Ų5282.8 Ų82.835%0.35145%0.448SS..THydrogen-bonded Turntrans-126.7-2-170.361.20000114.7C117 F122 C136 C140C117-C120 VanDerWaalsContact CB-SG 3.57Å; C117-C120 PolarHBondContact SG-SG 3.16Å; C120-F122 HydrophobicContact CB-CD2 3.92Å; C120-F122 HydrophobicContact CB-CE2 4.42Å; C120-F122 PolarHBondContact O-N 3.42Å; C120-F122 VanDerWaalsContact O-N 3.13Å; C120-C136 PolarHBondContact SG-SG 2.88Å; C120-C140 VanDerWaalsContact SG-SG 3.67Å
121G94.9Very high93Very high45 Ų4577.4 Ų77.446%0.46441%0.41SS..  trans75.4-8.2177.900000115.8F116 C117F116-G121 WeakPolarHBondContact CD1-O 3.33Å; C117-G121 WeakPolarHBondContact O-CA 3.41Å; C117-G121 PolarHBondContact O-N 3.16Å
122F96.2Very high92.9Very high140 Ų14068.5 Ų68.561%0.61438%0.383SS*.SBendtrans-69.5158.1175.5-69.2-67.9000112.6C117 C120 S124C117-F122 VanDerWaalsContact CB-O 3.24Å; C117-F122 WeakPolarHBondContact CB-O 3.05Å; C117-F122 PolarHBondContact N-O 3.36Å; C120-F122 HydrophobicContact CB-CD2 3.92Å; C120-F122 HydrophobicContact CB-CE2 4.42Å; C120-F122 PolarHBondContact O-N 3.42Å; C120-F122 VanDerWaalsContact O-N 3.13Å; F122-S124 PolarHBondContact O-N 2.95Å
123P96.5Very high93Very high72 Ų7264.1 Ų64.147%0.46836%0.357SS..BIsolated β-bridgetrans-51.3137173.6-25.634.6000111.7C136P123-C136 WeakPolarHBondContact O-CB 3.36Å
124S93.4Very high93.2Very high4 Ų459.1 Ų59.13%0.02833%0.33CS..  trans-130.8113-171.654.30000110.9P115 F116 C117 F122 R134 Y135P115-S124 VanDerWaalsContact C-OG 3.22Å; P115-S124 WeakPolarHBondContact CB-O 3.24Å; P115-S124 VanDerWaalsContact CG-O 3.31Å; P115-S124 WeakPolarHBondContact CG-O 3.38Å; P115-S124 PolarHBondContact O-N 3.45Å; P115-S124 PolarHBondContact O-OG 3.27Å; F116-S124 WeakPolarHBondContact CA-OG 3.38Å; F116-S124 PolarHBondContact N-OG 3.11Å; F116-S124 PolarHBondContact O-OG 3.23Å; C117-S124 PolarHBondContact N-OG 3.27Å; F122-S124 PolarHBondContact O-N 2.95Å; S124-R134 PolarHBondContact O-NE 2.8Å; S124-R134 PolarHBondContact O-NH2 2.85Å; S124-R134 VanDerWaalsContact OG-CB 3.23Å; S124-R134 WeakPolarHBondContact OG-CB 3.41Å; S124-Y135 VanDerWaalsContact CB-O 3.27Å; S124-Y135 WeakPolarHBondContact CB-O 3.46Å
125P93.9Very high93.3Very high83 Ų8353.5 Ų53.554%0.53931%0.309SS..  trans-81.9-2117631-31.7000112.2R134P125-R134 PolarHBondContact O-NH1 3.48Å; P125-R134 PolarHBondContact O-NH2 2.98Å
126Y95.5Very high93.5Very high127 Ų12752 Ų5250%0.49830%0.299SS..EExtended strand (participates in β ladder)trans-99.7154.8-170.9-51.4-68.4000113.7R134 Y135 C136Y126-R134 VanDerWaalsContact O-CA 3.28Å; Y126-R134 WeakPolarHBondContact O-CA 3.15Å; Y126-R134 PolarHBondContact O-NE 3.47Å; Y126-Y135 WeakPolarHBondContact CB-O 3.28Å; Y126-Y135 HydrophobicContact CD2-CD2 4.22Å; Y126-Y135 AromaticContact CD2-CE2 3.88Å; Y126-Y135 HydrophobicContact CD2-CE2 3.88Å; Y126-Y135 HydrophobicContact CG-CD2 4.4Å; Y126-Y135 AromaticContact CG-CE2 3.81Å; Y126-Y135 HydrophobicContact CG-CE2 3.81Å; Y126-Y135 PolarHBondContact N-O 2.9Å; Y126-Y135 PolarHBondContact O-N 3.5Å; Y126-C136 WeakPolarHBondContact CD2-O 3.21Å; Y126-C136 WeakPolarHBondContact CE2-O 3.13Å
127T93.7Very high93.4Very high50 Ų5050 Ų5031%0.30730%0.296SS..EExtended strand (participates in β ladder)trans-127.9134.8180-47.90000110.2V129 G132 A133 R134 Y135T127-V129 PolarHBondContact O-N 3.38Å; T127-G132 VanDerWaalsContact CG2-O 3.25Å; T127-G132 WeakPolarHBondContact CG2-O 3.48Å; T127-A133 CarbonylContact C-O 3.59Å; T127-R134 WeakPolarHBondContact OG1-CD 3.38Å; T127-R134 PolarHBondContact OG1-NH1 3.13Å; T127-Y135 VanDerWaalsContact C-CE1 3.45Å
128C92.1Very high93.4Very high4 Ų455.4 Ų55.43%0.02733%0.329CS..  trans-67124.3171.9-173.70000109.9S130 G132 A133 H144C128-S130 VanDerWaalsContact C-N 3.32Å; C128-S130 PolarHBondContact O-N 3.02Å; C128-S130 PolarHBondContact SG-OG 2.62Å; C128-G132 VanDerWaalsContact O-CA 3.23Å; C128-G132 WeakPolarHBondContact O-CA 3.49Å; C128-G132 PolarHBondContact O-N 3.04Å; C128-A133 WeakPolarHBondContact CB-O 3.49Å; C128-A133 PolarHBondContact N-O 3.48Å; C128-H144 PolarHBondContact SG-NE2 2.99Å; C128-H144 VanDerWaalsContact SG-NE2 3.44Å
129V88.9Confident93.6Very high105 Ų10563 Ų6364%0.63635%0.346SS*.THydrogen-bonded Turntrans-65.6-35.1-176.9-177.70000111.8V18 R24 T127V18-V129 HydrophobicContact CG1-CG1 4.34Å; V18-V129 WeakPolarHBondContact CG1-O 3.48Å; V18-V129 HydrophobicContact CG2-CG1 4.12Å; R24-V129 PolarHBondContact NH2-O 2.84Å; T127-V129 PolarHBondContact O-N 3.38Å
130S88.3Confident93.7Very high9 Ų961.7 Ų61.76%0.06334%0.338CS..THydrogen-bonded Turntrans-72.9-50.1-177.9500000112.8L19 C128 C149L19-S130 WeakPolarHBondContact CB-O 3.42Å; L19-S130 PolarHBondContact N-O 3.38Å; C128-S130 VanDerWaalsContact C-N 3.32Å; C128-S130 PolarHBondContact O-N 3.02Å; C128-S130 PolarHBondContact SG-OG 2.62Å; S130-C149 PolarHBondContact OG-SG 3.13Å
131C88.8Confident93.7Very high9 Ų960.8 Ų60.86%0.06133%0.329CS..THydrogen-bonded Turntrans-113.7-9.6-171.374.90000115.8A133 H144 L150C131-A133 VanDerWaalsContact C-N 3.32Å; C131-A133 PolarHBondContact O-N 2.84Å; C131-A133 VanDerWaalsContact SG-CB 3.55Å; C131-A133 PolarHBondContact SG-N 3.33Å; C131-H144 PolarHBondContact SG-CE1 3.22Å; C131-H144 PolarHBondContact SG-NE2 3.26Å; C131-L150 HydrophobicContact CB-CD2 3.86Å; C131-L150 HydrophobicContact CB-CG 4.18Å
132G90.2Very high93.6Very high21 Ų2159.7 Ų59.722%0.21632%0.319CS..  trans81.30.1-178.100000115.9T127 C128T127-G132 VanDerWaalsContact CG2-O 3.25Å; T127-G132 WeakPolarHBondContact CG2-O 3.48Å; C128-G132 VanDerWaalsContact O-CA 3.23Å; C128-G132 WeakPolarHBondContact O-CA 3.49Å; C128-G132 PolarHBondContact O-N 3.04Å
133A91.4Very high93.5Very high26 Ų2655.6 Ų55.622%0.21531%0.305CS..  trans-67.3143.4178.700000111.7T127 C128 C131 H144T127-A133 CarbonylContact C-O 3.59Å; C128-A133 WeakPolarHBondContact CB-O 3.49Å; C128-A133 PolarHBondContact N-O 3.48Å; C131-A133 VanDerWaalsContact C-N 3.32Å; C131-A133 PolarHBondContact O-N 2.84Å; C131-A133 VanDerWaalsContact SG-CB 3.55Å; C131-A133 PolarHBondContact SG-N 3.33Å; A133-H144 WeakPolarHBondContact CB-CE1 3.08Å
134R94.3Very high93.3Very high78 Ų7852.5 Ų52.529%0.29428%0.284SS..EExtended strand (participates in β ladder)trans-88.2144.1-178.6-57.6-70.7-68.9-165.5-5.5112P115 F116 A118 S124 P125 Y126 T127P115-R134 HydrophobicContact CB-CG 4.24Å; F116-R134 WeakPolarHBondContact O-CB 3.41Å; A118-R134 PolarHBondContact N-O 3.39Å; S124-R134 PolarHBondContact O-NE 2.8Å; S124-R134 PolarHBondContact O-NH2 2.85Å; S124-R134 VanDerWaalsContact OG-CB 3.23Å; S124-R134 WeakPolarHBondContact OG-CB 3.41Å; P125-R134 PolarHBondContact O-NH1 3.48Å; P125-R134 PolarHBondContact O-NH2 2.98Å; Y126-R134 VanDerWaalsContact O-CA 3.28Å; Y126-R134 WeakPolarHBondContact O-CA 3.15Å; Y126-R134 PolarHBondContact O-NE 3.47Å; T127-R134 WeakPolarHBondContact OG1-CD 3.38Å; T127-R134 PolarHBondContact OG1-NH1 3.13Å
135Y95.8Very high93.2Very high34 Ų3455.5 Ų55.513%0.13330%0.298CS..EExtended strand (participates in β ladder)trans-143.3150.7177.465.6-90.1000112.4S124 Y126 T127 T137 L141S124-Y135 VanDerWaalsContact CB-O 3.27Å; S124-Y135 WeakPolarHBondContact CB-O 3.46Å; Y126-Y135 WeakPolarHBondContact CB-O 3.28Å; Y126-Y135 HydrophobicContact CD2-CD2 4.22Å; Y126-Y135 AromaticContact CD2-CE2 3.88Å; Y126-Y135 HydrophobicContact CD2-CE2 3.88Å; Y126-Y135 HydrophobicContact CG-CD2 4.4Å; Y126-Y135 AromaticContact CG-CE2 3.81Å; Y126-Y135 HydrophobicContact CG-CE2 3.81Å; Y126-Y135 PolarHBondContact N-O 2.9Å; Y126-Y135 PolarHBondContact O-N 3.5Å; T127-Y135 VanDerWaalsContact C-CE1 3.45Å; Y135-T137 WeakPolarHBondContact CD2-O 3.32Å; Y135-L141 HydrophobicContact CD1-CB 4.44Å; Y135-L141 HydrophobicContact CD1-CD1 3.91Å; Y135-L141 HydrophobicContact CD2-CB 3.81Å; Y135-L141 HydrophobicContact CE1-CB 4.44Å; Y135-L141 HydrophobicContact CE1-CD1 3.65Å; Y135-L141 HydrophobicContact CE1-CD2 4.4Å; Y135-L141 HydrophobicContact CE1-CG 4.37Å; Y135-L141 HydrophobicContact CE2-CB 3.81Å; Y135-L141 HydrophobicContact CE2-CD1 4.48Å; Y135-L141 HydrophobicContact CE2-CD2 4.15Å; Y135-L141 HydrophobicContact CE2-CG 4.37Å; Y135-L141 HydrophobicContact CG-CB 4.13Å; Y135-L141 HydrophobicContact CG-CD1 4.43Å
136C96.4Very high93Very high25 Ų2557.6 Ų57.617%0.16930%0.3CS..SBendtrans-89.7-36.1-177.562.50000113.7C117 C120 P123 Y126 C140C117-C136 HydrophobicContact CB-CB 4.1Å; C117-C136 PolarHBondContact SG-N 3.14Å; C120-C136 PolarHBondContact SG-SG 2.88Å; P123-C136 WeakPolarHBondContact O-CB 3.36Å; Y126-C136 WeakPolarHBondContact CD2-O 3.21Å; Y126-C136 WeakPolarHBondContact CE2-O 3.13Å; C136-C140 PolarHBondContact SG-SG 3.07Å
137T95.7Very high92.6Very high65 Ų6554.4 Ų54.440%0.39929%0.294SS..SBendtrans-141.9162.9-173.8590000111.3Y135 R139 C140 L141Y135-T137 WeakPolarHBondContact CD2-O 3.32Å; T137-R139 PolarHBondContact O-N 2.86Å; T137-C140 CarbonylContact O-C 3.52Å; T137-C140 WeakPolarHBondContact O-CA 3.35Å; T137-C140 WeakPolarHBondContact O-CB 3.46Å; T137-C140 PolarHBondContact O-N 2.9Å; T137-C140 PolarHBondContact OG1-N 2.93Å; T137-L141 PolarHBondContact O-N 3.46Å
138V95Very high92.2Very high119 Ų11957.1 Ų57.172%0.72130%0.299SS*.Hα-helixtrans-57.3-32.6175.1-177.20000111.7C140 L141 G142V138-C140 PolarHBondContact O-N 3.21Å; V138-L141 WeakPolarHBondContact O-CB 3.49Å; V138-L141 PolarHBondContact O-N 2.73Å; V138-L141 VanDerWaalsContact O-N 3.15Å; V138-G142 PolarHBondContact O-N 3.1Å
139R95.6Very high91.9Very high215 Ų21557.9 Ų57.981%0.81130%0.304SS*.Hα-helixtrans-60.5-44.5173.1-66.3-178.967.1-173.20.4111.9T137 L141 G142 T143T137-R139 PolarHBondContact O-N 2.86Å; R139-L141 VanDerWaalsContact C-N 3.33Å; R139-G142 PolarHBondContact O-N 3.07Å; R139-T143 PolarHBondContact O-N 3.08Å; R139-T143 VanDerWaalsContact O-N 3.13Å; R139-T143 PolarHBondContact O-OG1 2.94Å
140C96.4Very high91.5Very high13 Ų1354.7 Ų54.79%0.08828%0.284CS..Hα-helixtrans-70.3-30.2174.8-69.20000112.4V119 C120 C136 T137 V138 T143 H144V119-C140 HydrophobicContact CB-CB 4.05Å; V119-C140 HydrophobicContact CG1-CB 4.36Å; V119-C140 HydrophobicContact CG2-CB 4.18Å; V119-C140 WeakPolarHBondContact CG2-O 3.29Å; C120-C140 VanDerWaalsContact SG-SG 3.67Å; C136-C140 PolarHBondContact SG-SG 3.07Å; T137-C140 CarbonylContact O-C 3.52Å; T137-C140 WeakPolarHBondContact O-CA 3.35Å; T137-C140 WeakPolarHBondContact O-CB 3.46Å; T137-C140 PolarHBondContact O-N 2.9Å; T137-C140 PolarHBondContact OG1-N 2.93Å; V138-C140 PolarHBondContact O-N 3.21Å; C140-T143 WeakPolarHBondContact CA-OG1 3.31Å; C140-T143 PolarHBondContact O-OG1 3.06Å; C140-T143 VanDerWaalsContact O-OG1 3.07Å; C140-H144 WeakPolarHBondContact O-CB 3.47Å; C140-H144 PolarHBondContact O-N 3.03Å
141L94.4Very high90.7Very high32 Ų3260.4 Ų60.417%0.16831%0.307CS..Hα-helixtrans-63.9-44.4171.4179.959.9000111.1Y135 T137 V138 R139 H144 Q145Y135-L141 HydrophobicContact CD1-CB 4.44Å; Y135-L141 HydrophobicContact CD1-CD1 3.91Å; Y135-L141 HydrophobicContact CD2-CB 3.81Å; Y135-L141 HydrophobicContact CE1-CB 4.44Å; Y135-L141 HydrophobicContact CE1-CD1 3.65Å; Y135-L141 HydrophobicContact CE1-CD2 4.4Å; Y135-L141 HydrophobicContact CE1-CG 4.37Å; Y135-L141 HydrophobicContact CE2-CB 3.81Å; Y135-L141 HydrophobicContact CE2-CD1 4.48Å; Y135-L141 HydrophobicContact CE2-CD2 4.15Å; Y135-L141 HydrophobicContact CE2-CG 4.37Å; Y135-L141 HydrophobicContact CG-CB 4.13Å; Y135-L141 HydrophobicContact CG-CD1 4.43Å; T137-L141 PolarHBondContact O-N 3.46Å; V138-L141 WeakPolarHBondContact O-CB 3.49Å; V138-L141 PolarHBondContact O-N 2.73Å; V138-L141 VanDerWaalsContact O-N 3.15Å; R139-L141 VanDerWaalsContact C-N 3.33Å; L141-H144 WeakPolarHBondContact O-CB 2.93Å; L141-H144 PolarHBondContact O-N 3.26Å; L141-Q145 HydrophobicContact CD1-CG 4.1Å; L141-Q145 HydrophobicContact CG-CG 4.44Å; L141-Q145 WeakPolarHBondContact O-CB 3.27Å; L141-Q145 VanDerWaalsContact O-CG 3.26Å; L141-Q145 WeakPolarHBondContact O-CG 3.17Å; L141-Q145 PolarHBondContact O-N 3.04Å
142G93.4Very high89.2Confident23 Ų2370.3 Ų70.324%0.23734%0.343CS..Hα-helixtrans-59.2-53.8176.800000111.8V138 R139 H144 Q145 E146V138-G142 PolarHBondContact O-N 3.1Å; R139-G142 PolarHBondContact O-N 3.07Å; G142-H144 VanDerWaalsContact C-N 3.28Å; G142-H144 PolarHBondContact O-N 3.29Å; G142-Q145 PolarHBondContact O-N 2.71Å; G142-Q145 VanDerWaalsContact O-N 3.07Å; G142-E146 WeakPolarHBondContact O-CG 3.25Å; G142-E146 PolarHBondContact O-N 3.43Å
143T94.1Very high87.6Confident53 Ų5372.2 Ų72.233%0.32535%0.351SS..Hα-helixtrans-61.4-37.9177.457.50000112.3V119 R139 C140 E146 T147V119-T143 VanDerWaalsContact CG1-OG1 3.27Å; V119-T143 WeakPolarHBondContact CG1-OG1 3.42Å; R139-T143 PolarHBondContact O-N 3.08Å; R139-T143 VanDerWaalsContact O-N 3.13Å; R139-T143 PolarHBondContact O-OG1 2.94Å; C140-T143 WeakPolarHBondContact CA-OG1 3.31Å; C140-T143 PolarHBondContact O-OG1 3.06Å; C140-T143 VanDerWaalsContact O-OG1 3.07Å; T143-E146 PolarHBondContact O-N 3.28Å; T143-T147 WeakPolarHBondContact O-CB 3.34Å; T143-T147 PolarHBondContact O-N 2.71Å; T143-T147 PolarHBondContact O-OG1 2.79Å
144H92.4Very high85.5Confident7 Ų780.4 Ų80.43%0.03240%0.398CS..Hα-helixtrans-60-47.9173.1169.970.3000111.4V119 C128 C131 A133 C140 L141 G142 E146 R148 C149V119-H144 HydrophobicContact CG2-CB 4.03Å; C128-H144 PolarHBondContact SG-NE2 2.99Å; C128-H144 VanDerWaalsContact SG-NE2 3.44Å; C131-H144 PolarHBondContact SG-CE1 3.22Å; C131-H144 PolarHBondContact SG-NE2 3.26Å; A133-H144 WeakPolarHBondContact CB-CE1 3.08Å; C140-H144 WeakPolarHBondContact O-CB 3.47Å; C140-H144 PolarHBondContact O-N 3.03Å; L141-H144 WeakPolarHBondContact O-CB 2.93Å; L141-H144 PolarHBondContact O-N 3.26Å; G142-H144 VanDerWaalsContact C-N 3.28Å; G142-H144 PolarHBondContact O-N 3.29Å; H144-E146 VanDerWaalsContact C-N 3.35Å; H144-E146 PolarHBondContact O-N 2.79Å; H144-R148 CarbonylContact O-C 3.33Å; H144-R148 WeakPolarHBondContact O-CA 3.38Å; H144-R148 WeakPolarHBondContact O-CB 3.33Å; H144-R148 PolarHBondContact O-N 3.22Å; H144-C149 WeakPolarHBondContact NE2-CB 3.31Å; H144-C149 WeakPolarHBondContact O-CB 3.4Å; H144-C149 PolarHBondContact O-N 3.24Å
145Q90.2Very high85.1Confident68 Ų6880.5 Ų80.532%0.31840%0.403SS..Hα-helixtrans-64.1-38-179.8-72.7179.416.300112.7R16 L141 G142R16-Q145 VanDerWaalsContact NH1-NE2 3.16Å; R16-Q145 VanDerWaalsContact NH2-OE1 3.14Å; L141-Q145 HydrophobicContact CD1-CG 4.1Å; L141-Q145 HydrophobicContact CG-CG 4.44Å; L141-Q145 WeakPolarHBondContact O-CB 3.27Å; L141-Q145 VanDerWaalsContact O-CG 3.26Å; L141-Q145 WeakPolarHBondContact O-CG 3.17Å; L141-Q145 PolarHBondContact O-N 3.04Å; G142-Q145 PolarHBondContact O-N 2.71Å; G142-Q145 VanDerWaalsContact O-N 3.07Å
146E89.4Confident84.5Confident126 Ų12682.9 Ų82.959%0.58942%0.417SS*.Hα-helixtrans-74.7-35.6-178.8-69.6167.3-167.400113.4G142 T143 H144G142-E146 WeakPolarHBondContact O-CG 3.25Å; G142-E146 PolarHBondContact O-N 3.43Å; T143-E146 PolarHBondContact O-N 3.28Å; H144-E146 VanDerWaalsContact C-N 3.35Å; H144-E146 PolarHBondContact O-N 2.79Å
147T88.7Confident83.9Confident61 Ų6186.2 Ų86.237%0.37443%0.431SS..Hα-helixtrans-117-23.1-166.265.40000114.9T143T143-T147 WeakPolarHBondContact O-CB 3.34Å; T143-T147 PolarHBondContact O-N 2.71Å; T143-T147 PolarHBondContact O-OG1 2.79Å
148R84.2Confident83.2Confident106 Ų10687.4 Ų87.440%0.443%0.433SS..THydrogen-bonded Turntrans-129.7-35.1-166.8-69174175.284.4-9.1114.6H144 L150H144-R148 CarbonylContact O-C 3.33Å; H144-R148 WeakPolarHBondContact O-CA 3.38Å; H144-R148 WeakPolarHBondContact O-CB 3.33Å; H144-R148 PolarHBondContact O-N 3.22Å; R148-L150 PolarHBondContact O-N 2.69Å; R148-L150 VanDerWaalsContact O-N 3.13Å
149C87Confident82.4Confident21 Ų2185.4 Ų85.414%0.14242%0.415CS..SBendtrans-68109.8-172.5-175.50000110.7S130 H144 K151S130-C149 PolarHBondContact OG-SG 3.13Å; H144-C149 WeakPolarHBondContact NE2-CB 3.31Å; H144-C149 WeakPolarHBondContact O-CB 3.4Å; H144-C149 PolarHBondContact O-N 3.24Å; C149-K151 PolarHBondContact O-N 3.37Å
150L80.2Confident81.6Confident38 Ų3876.8 Ų76.820%0.19939%0.388CS..SBendtrans5215.9176.2-55.4-179.7000115.1L19 C131 R148 W152 T153L19-L150 HydrophobicContact CD1-CD2 3.61Å; L19-L150 HydrophobicContact CG-CD2 4.23Å; C131-L150 HydrophobicContact CB-CD2 3.86Å; C131-L150 HydrophobicContact CB-CG 4.18Å; R148-L150 PolarHBondContact O-N 2.69Å; R148-L150 VanDerWaalsContact O-N 3.13Å; L150-W152 PolarHBondContact O-N 3.28Å; L150-T153 WeakPolarHBondContact CA-OG1 3.41Å; L150-T153 HydrophobicContact CB-CG2 4.37Å; L150-T153 WeakPolarHBondContact CB-OG1 3.44Å; L150-T153 HydrophobicContact CD2-CG2 3.82Å; L150-T153 PolarHBondContact O-N 2.77Å; L150-T153 PolarHBondContact O-OG1 3.26Å
151K71.8Confident80.5Confident128 Ų12881.4 Ų81.456%0.55741%0.41SS*.THydrogen-bonded Turntrans-69.9-35.2-175.7-171170.9-175.6166.10112.8C149C149-K151 PolarHBondContact O-N 3.37Å
152W57.6Low79.4Confident217 Ų21785.2 Ų85.282%0.82243%0.428SS*.THydrogen-bonded Turntrans-10122.5177.4-48.8111.1000112.3L150L150-W152 PolarHBondContact O-N 3.28Å
153T55.8Low78.3Confident61 Ų6190.3 Ų90.337%0.37444%0.444SS..  trans-97.691.3174.256.50000109.7R27 L150R27-T153 VanDerWaalsContact NE-CG2 3.3Å; L150-T153 WeakPolarHBondContact CA-OG1 3.41Å; L150-T153 HydrophobicContact CB-CG2 4.37Å; L150-T153 WeakPolarHBondContact CB-OG1 3.44Å; L150-T153 HydrophobicContact CD2-CG2 3.82Å; L150-T153 PolarHBondContact O-N 2.77Å; L150-T153 PolarHBondContact O-OG1 3.26Å
154V47.8Very low76.8Confident198 Ų19893.7 Ų93.7100%1.246%0.455SS*.  trans-124.90147.2-176.60000106.1

Retrieved 154 of 154 residues in 726.5 ms (Link to these results)