A0A061I8M1_CRIGR Loading...

Zinc finger HIT domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A061I8M1, Species CRIGR (Cricetulus griseus, Chinese hamster), 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
1M41.9Very low46.4Very low237 Ų237163.4 Ų163.4100%1.16784%0.84SS**  0104.70-68.8168.3177.300106.5E3M1-E3 PolarHBondContact O-N 2.79Å
2V43.9Very low46.4Very low145 Ų145158.3 Ų158.388%0.87982%0.816SS**  trans-83.4114.4-176.2167.40000108.4K4V2-K4 PolarHBondContact O-N 3.14Å
3E44.2Very low47Very low185 Ų185154.2 Ų154.286%0.86481%0.805SS**  trans-65.9116.6178.4-62.9-174.4116.100110.3M1 K5M1-E3 PolarHBondContact O-N 2.79Å; E3-K5 PolarHBondContact O-N 2.89Å
4K46.2Very low47.4Very low202 Ų202148.1 Ų148.188%0.87880%0.798SS**  trans-70.7107.8169.8-87.9175.2171.3173.90108.4V2V2-K4 PolarHBondContact O-N 3.14Å
5K42.9Very low48.1Very low201 Ų201148.1 Ų148.187%0.87479%0.791SS**PPolyproline II helixtrans-51.8123.6166-87.9174.4168.3173.40109.8E3 S7E3-K5 PolarHBondContact O-N 2.89Å; K5-S7 PolarHBondContact O-N 3.04Å
6P40.1Very low49.1Very low116 Ų116143.9 Ų143.975%0.75376%0.761SS**PPolyproline II helixtrans-67.1132.9173.126.5-31.4000109.8V8P6-V8 PolarHBondContact O-N 3.05Å
7S47.8Very low50.4Low96 Ų96148 Ų14867%0.67176%0.764SS**PPolyproline II helixtrans-54.4130.9176.7177.60000111.3K5 R9K5-S7 PolarHBondContact O-N 3.04Å; S7-R9 PolarHBondContact O-N 2.9Å
8V47.6Very low51.5Low152 Ų152145 Ų14592%0.92175%0.753SS**THydrogen-bonded Turntrans-72.153.6178.5-177.40000110.9P6P6-V8 PolarHBondContact O-N 3.05Å
9R50.9Low52.7Low212 Ų212138.5 Ų138.580%0.872%0.719SS**THydrogen-bonded Turntrans-142.118.7172.3-151178.2179.9148.33.2113.2S7 Q11S7-R9 PolarHBondContact O-N 2.9Å; R9-Q11 PolarHBondContact O-N 3.43Å
10S51.3Low54.2Low111 Ų111135.9 Ų135.978%0.77671%0.706SS**  trans-94.582.4168.6-57.90000107.6D12S10-D12 PolarHBondContact O-N 3.28Å
11Q53.2Low55.3Low140 Ų140139.7 Ų139.765%0.65471%0.711SS**  trans-61131.5166.8-75.6-160.4-29.100108.7R9R9-Q11 PolarHBondContact O-N 3.43Å
12D47.1Very low57.3Low103 Ų103130.7 Ų130.755%0.55168%0.675SS**  trans-48.7128.7179.5-167.8-79.7000110.3S10 G14 Q15S10-D12 PolarHBondContact O-N 3.28Å; D12-G14 PolarHBondContact O-N 2.94Å; D12-G14 WeakPolarHBondContact OD1-CA 2.87Å; D12-G14 PolarHBondContact OD1-N 3.44Å; D12-Q15 PolarHBondContact O-N 3.37Å
13P54.3Low59.1Low104 Ų104124.6 Ų124.668%0.67564%0.639SS**G310 helixtrans-58.9-20.6-177.622.4-31.1000112.9
14G52.8Low60.8Low69 Ų69119.1 Ų119.171%0.71161%0.611SS**G310 helixtrans-75.1-17.7176.100000115.4D12D12-G14 PolarHBondContact O-N 2.94Å; D12-G14 WeakPolarHBondContact OD1-CA 2.87Å; D12-G14 PolarHBondContact OD1-N 3.44Å
15Q56.9Low62.5Low148 Ų148114.3 Ų114.369%0.69259%0.591SS**G310 helixtrans-94.35.3178.8-90-177.13.500114.3D12 R17D12-Q15 PolarHBondContact O-N 3.37Å; Q15-R17 PolarHBondContact O-N 3.07Å
16R64.1Low64.5Low81 Ų81112.5 Ų112.531%0.30658%0.579SS.*  trans-73.394.4-176-69.5-178.6179.8-112.41.2110.8V18R16-V18 PolarHBondContact O-N 3.45Å; R16-V18 VanDerWaalsContact O-N 3.14Å
17R71Confident66.4Low214 Ų214111.2 Ų111.281%0.80856%0.559SS**PPolyproline II helixtrans-54117.9175.2-163.2174.8-175.3-166.41.4110.2Q15 L19Q15-R17 PolarHBondContact O-N 3.07Å; R17-L19 PolarHBondContact O-N 3.12Å
18V71.7Confident68.1Low94 Ų94110.5 Ų110.557%0.5755%0.547SS*.PPolyproline II helixtrans-70.5122174.4-176.50000108.1R16 V129R16-V18 PolarHBondContact O-N 3.45Å; R16-V18 VanDerWaalsContact O-N 3.14Å; V18-V129 HydrophobicContact CB-CG1 4.05Å; V18-V129 HydrophobicContact CG1-CG1 3.64Å; V18-V129 HydrophobicContact CG2-CG1 3.43Å; V18-V129 VanDerWaalsContact CG2-CG1 3.43Å
19L73.8Confident69.9Low21 Ų21107.3 Ų107.311%0.1153%0.525CS..PPolyproline II helixtrans-88.5131.9172.4-67.4175.6000109.6R17 A23 R24 L150R17-L19 PolarHBondContact O-N 3.12Å; L19-A23 HydrophobicContact CD2-CB 4.17Å; L19-R24 HydrophobicContact CB-CG 4.08Å; L19-R24 PolarHBondContact O-NH1 3.29Å; L19-R24 VanDerWaalsContact O-NH1 3.11Å; L19-R24 PolarHBondContact O-NH2 3.05Å; L19-L150 HydrophobicContact CD1-CD2 3.94Å
20D81.4Confident71.5Confident87 Ų87104.9 Ų104.947%0.46552%0.516SS..PPolyproline II helixtrans-69.4168.3173.170.6-21.5000111.1A22 A23 R24D20-A22 VanDerWaalsContact C-N 3.26Å; D20-A22 PolarHBondContact O-N 2.83Å; D20-A23 PolarHBondContact O-N 3.46Å; D20-A23 WeakPolarHBondContact OD1-CA 3.38Å; D20-A23 WeakPolarHBondContact OD1-CB 3.47Å; D20-A23 PolarHBondContact OD1-N 3.19Å; D20-R24 WeakPolarHBondContact O-CG 3.16Å; D20-R24 PolarHBondContact O-N 3.46Å; D20-R24 VanDerWaalsContact O-N 3.12Å
21R78.7Confident73Confident216 Ų216103 Ų10382%0.81549%0.494SS*.Hα-helixtrans-61.1-37.4179.9-173.2174.4179.2179-2111.7R24 Q25R21-R24 PolarHBondContact O-N 3.11Å; R21-Q25 PolarHBondContact O-N 3.39Å; R21-Q25 VanDerWaalsContact O-N 3.07Å
22A83.2Confident74.4Confident48 Ų48100.5 Ų100.540%0.39749%0.485SS..Hα-helixtrans-69.7-43.3-179.700000112.5D20 R24 Q25 R26D20-A22 VanDerWaalsContact C-N 3.26Å; D20-A22 PolarHBondContact O-N 2.83Å; A22-R24 VanDerWaalsContact C-N 3.31Å; A22-R24 PolarHBondContact O-N 3.11Å; A22-Q25 PolarHBondContact O-N 3.46Å; A22-R26 WeakPolarHBondContact O-CG 3.41Å; A22-R26 PolarHBondContact O-N 3.42Å
23A81.8Confident76.1Confident16 Ų16101 Ų10113%0.13248%0.484CS..Hα-helixtrans-64.4-36174.600000112.3L19 D20 R26 R27L19-A23 HydrophobicContact CD2-CB 4.17Å; D20-A23 PolarHBondContact O-N 3.46Å; D20-A23 WeakPolarHBondContact OD1-CA 3.38Å; D20-A23 WeakPolarHBondContact OD1-CB 3.47Å; D20-A23 PolarHBondContact OD1-N 3.19Å; A23-R26 PolarHBondContact O-N 3.37Å; A23-R27 WeakPolarHBondContact O-CG 3.24Å; A23-R27 PolarHBondContact O-N 3.39Å; A23-R27 VanDerWaalsContact O-N 3.11Å
24R80.5Confident77.5Confident71 Ų7198.3 Ų98.327%0.26847%0.471SS..Hα-helixtrans-60.1-47.8172.9-75.1-173.9-81.2-121.4-1.9111.5L19 D20 R21 A22 R27 I28 C131L19-R24 HydrophobicContact CB-CG 4.08Å; L19-R24 PolarHBondContact O-NH1 3.29Å; L19-R24 VanDerWaalsContact O-NH1 3.11Å; L19-R24 PolarHBondContact O-NH2 3.05Å; D20-R24 WeakPolarHBondContact O-CG 3.16Å; D20-R24 PolarHBondContact O-N 3.46Å; D20-R24 VanDerWaalsContact O-N 3.12Å; R21-R24 PolarHBondContact O-N 3.11Å; A22-R24 VanDerWaalsContact C-N 3.31Å; A22-R24 PolarHBondContact O-N 3.11Å; R24-R27 PolarHBondContact O-N 2.98Å; R24-I28 WeakPolarHBondContact O-CG1 3.45Å; R24-I28 PolarHBondContact O-N 2.79Å; R24-I28 VanDerWaalsContact O-N 3.12Å; R24-C131 VanDerWaalsContact CD-O 3.24Å; R24-C131 WeakPolarHBondContact CD-O 3.42Å
25Q82Confident78.8Confident101 Ų10199.6 Ų99.647%0.47246%0.461SS..Hα-helixtrans-63.2-43.7178.2-168.76244.300112.3R21 A22 R27 I28 N29R21-Q25 PolarHBondContact O-N 3.39Å; R21-Q25 VanDerWaalsContact O-N 3.07Å; A22-Q25 PolarHBondContact O-N 3.46Å; Q25-R27 VanDerWaalsContact C-N 3.26Å; Q25-R27 PolarHBondContact O-N 2.96Å; Q25-I28 PolarHBondContact O-N 2.94Å; Q25-I28 VanDerWaalsContact O-N 3.16Å; Q25-N29 PolarHBondContact NE2-OD1 3.16Å; Q25-N29 PolarHBondContact O-N 3.3Å; Q25-N29 PolarHBondContact O-OD1 2.95Å
26R84.9Confident79.7Confident163 Ų16398.8 Ų98.862%0.61546%0.457SS*.Hα-helixtrans-58.1-38.5177.3-75.8-176.7-72.2-135.5-2.6112.7A22 A23 R30A22-R26 WeakPolarHBondContact O-CG 3.41Å; A22-R26 PolarHBondContact O-N 3.42Å; A23-R26 PolarHBondContact O-N 3.37Å; R26-R30 PolarHBondContact O-N 3.31Å
27R80.5Confident80.2Confident89 Ų8999.7 Ų99.734%0.33647%0.468SS..Hα-helixtrans-68.2-42.6176-74178178.6-1294.4112.4A23 R24 Q25 N29 R30 Q31 T153A23-R27 WeakPolarHBondContact O-CG 3.24Å; A23-R27 PolarHBondContact O-N 3.39Å; A23-R27 VanDerWaalsContact O-N 3.11Å; R24-R27 PolarHBondContact O-N 2.98Å; Q25-R27 VanDerWaalsContact C-N 3.26Å; Q25-R27 PolarHBondContact O-N 2.96Å; R27-N29 VanDerWaalsContact C-N 3.32Å; R27-N29 PolarHBondContact O-N 3.31Å; R27-R30 PolarHBondContact O-N 3.49Å; R27-Q31 PolarHBondContact O-N 2.83Å; R27-T153 PolarHBondContact NH1-O 3.19Å; R27-T153 PolarHBondContact NH1-OG1 2.9Å
28I82.2Confident80.2Confident81 Ų8195 Ų9542%0.41546%0.459SS..Hα-helixtrans-59.2-47.2176-68166.8000109.9R24 Q25 R30 Q31 L32R24-I28 WeakPolarHBondContact O-CG1 3.45Å; R24-I28 PolarHBondContact O-N 2.79Å; R24-I28 VanDerWaalsContact O-N 3.12Å; Q25-I28 PolarHBondContact O-N 2.94Å; Q25-I28 VanDerWaalsContact O-N 3.16Å; I28-R30 VanDerWaalsContact C-N 3.35Å; I28-R30 PolarHBondContact O-N 3.21Å; I28-Q31 PolarHBondContact O-N 3.42Å; I28-L32 HydrophobicContact CG2-CD1 4.22Å; I28-L32 WeakPolarHBondContact O-CG 3.31Å; I28-L32 PolarHBondContact O-N 3.12Å
29N85.4Confident79.9Confident84 Ų8496.5 Ų96.545%0.44946%0.464SS..Hα-helixtrans-62-42179.1-69.313000112Q25 R27 Q31 L32 E33Q25-N29 PolarHBondContact NE2-OD1 3.16Å; Q25-N29 PolarHBondContact O-N 3.3Å; Q25-N29 PolarHBondContact O-OD1 2.95Å; R27-N29 VanDerWaalsContact C-N 3.32Å; R27-N29 PolarHBondContact O-N 3.31Å; N29-Q31 VanDerWaalsContact C-N 3.31Å; N29-Q31 PolarHBondContact O-N 3.4Å; N29-L32 PolarHBondContact O-N 3.41Å; N29-E33 WeakPolarHBondContact O-CB 3.42Å; N29-E33 PolarHBondContact O-N 3.08Å
30R85.2Confident79.3Confident162 Ų162102.1 Ų102.161%0.61149%0.488SS*.Hα-helixtrans-60.4-40.5175.3-178.1-178.3-63-145.6-6.1112.4R26 R27 I28 E33 A34R26-R30 PolarHBondContact O-N 3.31Å; R27-R30 PolarHBondContact O-N 3.49Å; I28-R30 VanDerWaalsContact C-N 3.35Å; I28-R30 PolarHBondContact O-N 3.21Å; R30-E33 PolarHBondContact O-N 3.33Å; R30-A34 WeakPolarHBondContact O-CB 3.46Å; R30-A34 PolarHBondContact O-N 3.31Å
31Q81.4Confident78.2Confident70 Ų70105.3 Ų105.333%0.32750%0.499SS..Hα-helixtrans-66.2-41.3177.1-175.217817.400111.4R27 I28 N29 A34 L35 W152R27-Q31 PolarHBondContact O-N 2.83Å; I28-Q31 PolarHBondContact O-N 3.42Å; N29-Q31 VanDerWaalsContact C-N 3.31Å; N29-Q31 PolarHBondContact O-N 3.4Å; Q31-A34 PolarHBondContact O-N 3.13Å; Q31-L35 HydrophobicContact CG-CD1 4.44Å; Q31-L35 VanDerWaalsContact O-CG 3.31Å; Q31-L35 WeakPolarHBondContact O-CG 3.23Å; Q31-L35 PolarHBondContact O-N 2.92Å; Q31-W152 VanDerWaalsContact CD-O 3.3Å; Q31-W152 PolarHBondContact NE2-O 3.42Å; Q31-W152 VanDerWaalsContact NE2-O 3.16Å; Q31-W152 PolarHBondContact OE1-O 3.41Å
32L82.9Confident77.1Confident89 Ų89102 Ų10247%0.46650%0.498SS..Hα-helixtrans-61.1-45.8174.5-69.1173.8000111I28 N29 A34 L35 E36I28-L32 HydrophobicContact CG2-CD1 4.22Å; I28-L32 WeakPolarHBondContact O-CG 3.31Å; I28-L32 PolarHBondContact O-N 3.12Å; N29-L32 PolarHBondContact O-N 3.41Å; L32-A34 VanDerWaalsContact C-N 3.33Å; L32-A34 PolarHBondContact O-N 3.25Å; L32-L35 PolarHBondContact O-N 3.06Å; L32-L35 VanDerWaalsContact O-N 3.17Å; L32-E36 WeakPolarHBondContact O-CG 3.45Å; L32-E36 PolarHBondContact O-N 3.21Å
33E83.6Confident75.9Confident113 Ų113103.8 Ų103.853%0.52850%0.501SS..Hα-helixtrans-61.5-39.3176.7-176.8178.9-163.100112.1N29 R30 E36 N37N29-E33 WeakPolarHBondContact O-CB 3.42Å; N29-E33 PolarHBondContact O-N 3.08Å; R30-E33 PolarHBondContact O-N 3.33Å; E33-E36 PolarHBondContact O-N 3.06Å; E33-N37 WeakPolarHBondContact O-CB 3.34Å; E33-N37 VanDerWaalsContact O-CG 3.26Å; E33-N37 PolarHBondContact O-N 3.15Å; E33-N37 PolarHBondContact O-ND2 3.46Å
34A82.8Confident74.7Confident47 Ų47107.7 Ų107.739%0.38853%0.525SS..Hα-helixtrans-63.6-43.3174.100000111.9R30 Q31 L32 E36 N37 D38R30-A34 WeakPolarHBondContact O-CB 3.46Å; R30-A34 PolarHBondContact O-N 3.31Å; Q31-A34 PolarHBondContact O-N 3.13Å; L32-A34 VanDerWaalsContact C-N 3.33Å; L32-A34 PolarHBondContact O-N 3.25Å; A34-E36 VanDerWaalsContact C-N 3.3Å; A34-E36 PolarHBondContact O-N 2.79Å; A34-N37 PolarHBondContact O-N 3.08Å; A34-D38 PolarHBondContact O-N 3.17Å
35L81.8Confident73.5Confident96 Ų96110.6 Ų110.650%0.50354%0.541SS..Hα-helixtrans-66-33.4175.5-67.8171.5000112.3Q31 L32 N39Q31-L35 HydrophobicContact CG-CD1 4.44Å; Q31-L35 VanDerWaalsContact O-CG 3.31Å; Q31-L35 WeakPolarHBondContact O-CG 3.23Å; Q31-L35 PolarHBondContact O-N 2.92Å; L32-L35 PolarHBondContact O-N 3.06Å; L32-L35 VanDerWaalsContact O-N 3.17Å; L35-N39 PolarHBondContact O-ND2 3.44Å
36E75.5Confident72.4Confident132 Ų132108.1 Ų108.162%0.61754%0.538SS*.Hα-helixtrans-67.2-43.3173.2-74.6170.5178.800111L32 E33 A34 N39L32-E36 WeakPolarHBondContact O-CG 3.45Å; L32-E36 PolarHBondContact O-N 3.21Å; E33-E36 PolarHBondContact O-N 3.06Å; A34-E36 VanDerWaalsContact C-N 3.3Å; A34-E36 PolarHBondContact O-N 2.79Å; E36-N39 PolarHBondContact O-N 3.46Å
37N74.6Confident71.1Confident100 Ų100104 Ų10454%0.53555%0.546SS..Hα-helixtrans-69.6-33.5177.7-72.1-37.9000113.2E33 A34 N39 F40E33-N37 WeakPolarHBondContact O-CB 3.34Å; E33-N37 VanDerWaalsContact O-CG 3.26Å; E33-N37 PolarHBondContact O-N 3.15Å; E33-N37 PolarHBondContact O-ND2 3.46Å; A34-N37 PolarHBondContact O-N 3.08Å; N37-N39 PolarHBondContact O-N 3.18Å; N37-F40 WeakPolarHBondContact O-CA 3.41Å; N37-F40 VanDerWaalsContact O-CB 3.22Å; N37-F40 WeakPolarHBondContact O-CB 3.43Å; N37-F40 PolarHBondContact O-N 3.36Å
38D69.8Low69.9Low114 Ų114104.4 Ų104.461%0.6155%0.554SS**Hα-helixtrans-66.7-24176.8-83.4-9.9000112.7A34 F40A34-D38 PolarHBondContact O-N 3.17Å; D38-F40 PolarHBondContact O-N 3.15Å
39N66.1Low68.6Low127 Ų127105.7 Ų105.768%0.67957%0.568SS**THydrogen-bonded Turntrans-69.6-15.3169.1-77.3-62.2000112.5L35 E36 N37 Q41L35-N39 PolarHBondContact O-ND2 3.44Å; E36-N39 PolarHBondContact O-N 3.46Å; N37-N39 PolarHBondContact O-N 3.18Å; N39-Q41 PolarHBondContact O-N 3.47Å
40F61.2Low67.2Low139 Ų139110.4 Ų110.461%0.6159%0.587SS**  trans-94.758.5-178.6-123.1-87000111.3N37 D38N37-F40 WeakPolarHBondContact O-CA 3.41Å; N37-F40 VanDerWaalsContact O-CB 3.22Å; N37-F40 WeakPolarHBondContact O-CB 3.43Å; N37-F40 PolarHBondContact O-N 3.36Å; D38-F40 PolarHBondContact O-N 3.15Å
41Q58.9Low65.5Low153 Ų153110.1 Ų110.172%0.71560%0.597SS**PPolyproline II helixtrans-89.6117.5164-65-165.9-7.800108.9N39 D43N39-Q41 PolarHBondContact O-N 3.47Å; Q41-D43 PolarHBondContact O-N 3.12Å
42D54.4Low64.4Low147 Ų147109.4 Ų109.479%0.78661%0.608SS**PPolyproline II helixtrans-52.8126.8160.6-101.3-53.5000107.5P44D42-P44 WeakPolarHBondContact O-CD 3.46Å
43D57.5Low63.1Low86 Ų86115 Ų11546%0.4663%0.629SS.*PPolyproline II helixtrans-48.8118.2-179.81726.8000108.2Q41 H45 A46Q41-D43 PolarHBondContact O-N 3.12Å; D43-H45 PolarHBondContact O-N 3.26Å; D43-H45 WeakPolarHBondContact OD1-CB 3.48Å; D43-H45 IonicContact OD1-CD2 3.85Å; D43-H45 IonicContact OD1-CG 3.72Å; D43-H45 PolarHBondContact OD1-N 3.37Å; D43-A46 HydrophobicContact CB-CB 4.16Å; D43-A46 VanDerWaalsContact O-CB 3.22Å; D43-A46 WeakPolarHBondContact O-CB 3.44Å; D43-A46 PolarHBondContact O-N 3.3Å
44P56.8Low61.5Low98 Ų98120.9 Ų120.964%0.63665%0.646SS**THydrogen-bonded Turntrans-59.9-9.4-179.222-31.5000112.4D42D42-P44 WeakPolarHBondContact O-CD 3.46Å
45H56.7Low59.9Low132 Ų132126.4 Ų126.461%0.61167%0.668SS**THydrogen-bonded Turntrans-99.4-3173.4-55.5-31.6000114.8D43 G47 L48D43-H45 PolarHBondContact O-N 3.26Å; D43-H45 WeakPolarHBondContact OD1-CB 3.48Å; D43-H45 IonicContact OD1-CD2 3.85Å; D43-H45 IonicContact OD1-CG 3.72Å; D43-H45 PolarHBondContact OD1-N 3.37Å; H45-G47 VanDerWaalsContact C-N 3.29Å; H45-G47 PolarHBondContact O-N 2.93Å; H45-L48 PolarHBondContact O-N 2.8Å
46A57.5Low58.5Low49 Ų49126.7 Ų126.741%0.40568%0.676SS.*THydrogen-bonded Turntrans-65.1-30.1-179.800000113.6D43D43-A46 HydrophobicContact CB-CB 4.16Å; D43-A46 VanDerWaalsContact O-CB 3.22Å; D43-A46 WeakPolarHBondContact O-CB 3.44Å; D43-A46 PolarHBondContact O-N 3.3Å
47G57.8Low57.2Low75 Ų75127.9 Ų127.977%0.77368%0.681SS**THydrogen-bonded Turntrans-101.2-2179.400000115.3H45 P49H45-G47 VanDerWaalsContact C-N 3.29Å; H45-G47 PolarHBondContact O-N 2.93Å; G47-P49 WeakPolarHBondContact O-CD 3.26Å
48L55.4Low55.5Low99 Ų99132.1 Ų132.152%0.51870%0.695SS.*SBendtrans-77.6122178.9-101.8140000109.3H45 Q50H45-L48 PolarHBondContact O-N 2.8Å; L48-Q50 PolarHBondContact O-N 2.95Å
49P55.3Low54.1Low107 Ų107132.4 Ų132.470%0.69570%0.697SS**  trans-52.8127.8164.5-18.129.5000107.1G47 L51G47-P49 WeakPolarHBondContact O-CD 3.26Å; P49-L51 PolarHBondContact O-N 3.4Å
50Q55.4Low53Low183 Ų183133.5 Ų133.586%0.85570%0.703SS**  trans-44.7103.7179.3-72.4175.2-11.200108.6L48 G52L48-Q50 PolarHBondContact O-N 2.95Å; Q50-G52 VanDerWaalsContact C-N 3.27Å; Q50-G52 PolarHBondContact O-N 3.45Å
51L50.9Low52.3Low157 Ų157134.7 Ų134.782%0.82272%0.716SS**  trans-68.198.2-174.4-164.681.1000105.8P49 K53P49-L51 PolarHBondContact O-N 3.4Å; L51-K53 PolarHBondContact O-N 3.48Å
52G56.6Low51.5Low54 Ų54130.9 Ų130.956%0.55771%0.71SS**THydrogen-bonded Turntrans-54.8126.1-175.700000110.1Q50Q50-G52 VanDerWaalsContact C-N 3.27Å; Q50-G52 PolarHBondContact O-N 3.45Å
53K55.6Low50.7Low207 Ų207131.3 Ų131.390%0.971%0.712SS**THydrogen-bonded Turntrans76.729.8141.8-38.3-171.8-168.3-150.70118.1L51L51-K53 PolarHBondContact O-N 3.48Å
54R51.4Low50.1Low237 Ų237133.4 Ų133.489%0.89473%0.729SS**  trans-142.345166.6-67-161.2-173.2-1074114.8
55L49.5Very low49.3Very low163 Ų163132.4 Ų132.485%0.85374%0.736SS**SBendtrans-105.8129.3162.6-143.671.9000108.1Q57L55-Q57 PolarHBondContact O-N 3.45Å; L55-Q57 VanDerWaalsContact O-N 3.12Å
56P52.4Low48.8Very low102 Ų102135.6 Ų135.666%0.66275%0.748SS**  trans-55.3119.1177.3-26.235.3000110.7F58P56-F58 HydrophobicContact CB-CE2 4.41Å; P56-F58 PolarHBondContact O-N 3.48Å
57Q47.2Very low48.2Very low156 Ų156143 Ų14373%0.72977%0.771SS**  trans-77.6109.5172.9-177.6173.8-40.300106.7L55 D59L55-Q57 PolarHBondContact O-N 3.45Å; L55-Q57 VanDerWaalsContact O-N 3.12Å; Q57-D59 PolarHBondContact NE2-OD1 3.36Å; Q57-D59 PolarHBondContact O-N 2.84Å
58F40Very low47.5Very low190 Ų190147.8 Ų147.883%0.83377%0.77SS**  trans-78.7110.1165.9-67.5-91000106.4P56 D60P56-F58 HydrophobicContact CB-CE2 4.41Å; P56-F58 PolarHBondContact O-N 3.48Å; F58-D60 PolarHBondContact O-N 3.26Å
59D39.1Very low47.4Very low119 Ų119152.4 Ų152.464%0.63679%0.786SS**  trans-71.8119.3171-75.7-62.8000108.4Q57 D61Q57-D59 PolarHBondContact NE2-OD1 3.36Å; Q57-D59 PolarHBondContact O-N 2.84Å; D59-D61 PolarHBondContact O-N 3.17Å
60D43.9Very low47.1Very low151 Ų151154.3 Ų154.381%0.80778%0.784SS**  trans-85.793.5171.8-166.8-110.3000106.6F58 A62F58-D60 PolarHBondContact O-N 3.26Å; D60-A62 PolarHBondContact O-N 3.03Å
61D45.5Very low46.7Very low164 Ų164151.7 Ų151.788%0.87778%0.78SS**  trans-71.179.2174.1-85.6-69.5000109.9D59D59-D61 PolarHBondContact O-N 3.17Å
62A43.2Very low46.5Very low73 Ų73153.5 Ų153.560%0.60378%0.776SS**  trans-140.199.8165.500000111.4D60D60-A62 PolarHBondContact O-N 3.03Å
63D37.6Very low46Very low155 Ų155153.1 Ų153.183%0.82977%0.772SS**  trans92136.7142.3-154.837.3000120.2
64T45Very low45.6Very low131 Ų131148.5 Ų148.580%0.80476%0.757SS**  trans-85.3118.3-168.350.60000111.3
65G38.4Very low45.5Very low76 Ų76142.8 Ų142.878%0.78474%0.74SS**  trans-180115.6176.900000116.2
66K46.4Very low45.4Very low200 Ų200141.3 Ų141.387%0.8773%0.727SS**  trans-59.5147.6179.2-65.5171.2176169.90113.2
67K46.2Very low45.3Very low204 Ų204143.7 Ų143.789%0.88773%0.728SS**  trans73.9110.6159.8-60.8174.6-179.11770117
68K42.8Very low45.5Very low175 Ų175140.8 Ų140.876%0.76172%0.716SS**  161.1115.5107.6-164.8167.2-170.2174.10106.6K70K68-K70 VanDerWaalsContact C-N 3.27Å; K68-K70 PolarHBondContact O-N 2.9Å
69K53.5Low45.9Very low197 Ų197139.4 Ų139.486%0.85771%0.706SS**  trans-55.493.1169-174.1175.9-177.4175.40107.8
70K47.8Very low46.5Very low147 Ų147140.7 Ų140.764%0.63971%0.706SS**  trans-94.596.3168.8-76.8-176.3-178.4171.30105.7K68 R72K68-K70 VanDerWaalsContact C-N 3.27Å; K68-K70 PolarHBondContact O-N 2.9Å; K70-R72 HydrophobicContact CB-CB 4.13Å; K70-R72 PolarHBondContact O-N 3.23Å
71T47.3Very low47.2Very low127 Ų127141.4 Ų141.478%0.77970%0.697SS**  trans-57.563.4155.2370000109.5
72R47.3Very low48.2Very low196 Ų196137.2 Ų137.274%0.7467%0.671SS**  trans-130.413.1-177.1-147.2-178.394.6161.74.8112.1K70K70-R72 HydrophobicContact CB-CB 4.13Å; K70-R72 PolarHBondContact O-N 3.23Å
73G46.5Very low49.5Very low46 Ų46137.1 Ų137.147%0.47466%0.66SS.*SBendtrans-93.8-27.5171.800000113.1F76 K77G73-F76 PolarHBondContact O-N 3.18Å; G73-K77 PolarHBondContact O-N 3.31Å
74D47.3Very low51.2Low110 Ų110134.4 Ų134.459%0.58864%0.641SS**Hα-helixtrans-79.3-35.6-175.7-127.1-1.4000112.4F76 K77 L78D74-F76 PolarHBondContact O-N 3Å; D74-K77 PolarHBondContact O-N 3.48Å; D74-L78 WeakPolarHBondContact O-CD1 3.29Å; D74-L78 PolarHBondContact O-N 2.97Å
75H48.3Very low52.7Low116 Ų116132.2 Ų132.254%0.53762%0.622SS.*Hα-helixtrans-69.9-15.9174-156.4-101.6000112.9R79H75-R79 PolarHBondContact CE1-NE 2.77Å; H75-R79 PolarHBondContact CE1-NH2 3.37Å; H75-R79 PolarHBondContact ND1-NE 3.16Å; H75-R79 VanDerWaalsContact ND1-NE 3.13Å; H75-R79 WeakPolarHBondContact O-CB 3.42Å; H75-R79 WeakPolarHBondContact O-CG 3.49Å; H75-R79 PolarHBondContact O-N 3.41Å
76F47.1Very low54.6Low132 Ų132130.2 Ų130.258%0.57960%0.598SS**Hα-helixtrans-78.5-46.8172.2-165.9-109.7000109.5G73 D74 L78 R79 F80G73-F76 PolarHBondContact O-N 3.18Å; D74-F76 PolarHBondContact O-N 3Å; F76-L78 PolarHBondContact O-N 3.43Å; F76-R79 PolarHBondContact O-N 3.19Å; F76-F80 HydrophobicContact CD1-CD2 4.35Å; F76-F80 AromaticContact CD1-CE2 3.72Å; F76-F80 HydrophobicContact CD1-CE2 3.72Å; F76-F80 HydrophobicContact CD2-CE2 4.01Å; F76-F80 HydrophobicContact CE1-CD2 4.38Å; F76-F80 AromaticContact CE1-CE2 3.45Å; F76-F80 HydrophobicContact CE1-CE2 3.45Å; F76-F80 VanDerWaalsContact CE1-CE2 3.45Å; F76-F80 HydrophobicContact CE1-CZ 4.12Å; F76-F80 AromaticContact CE2-CE2 3.75Å; F76-F80 HydrophobicContact CE2-CE2 3.75Å; F76-F80 HydrophobicContact CE2-CZ 4.09Å; F76-F80 HydrophobicContact CG-CE2 4Å; F76-F80 AromaticContact CZ-CE2 3.47Å; F76-F80 HydrophobicContact CZ-CE2 3.47Å; F76-F80 VanDerWaalsContact CZ-CE2 3.47Å; F76-F80 AromaticContact CZ-CZ 3.76Å; F76-F80 HydrophobicContact CZ-CZ 3.76Å; F76-F80 WeakPolarHBondContact O-CD2 3.37Å; F76-F80 PolarHBondContact O-N 2.9Å
77K52.1Low56.2Low153 Ų153124.5 Ų124.567%0.66558%0.576SS**Hα-helixtrans-67.1-35.5178-64.9-178.1-179.6-176.20113.5G73 D74 F80G73-K77 PolarHBondContact O-N 3.31Å; D74-K77 PolarHBondContact O-N 3.48Å; K77-F80 PolarHBondContact O-N 3.5Å
78L50.3Low57.7Low95 Ų95116 Ų11650%0.49754%0.54SS..Hα-helixtrans-74.2-25173.3-88.9111.5000113.8D74 F76 F80 R81D74-L78 WeakPolarHBondContact O-CD1 3.29Å; D74-L78 PolarHBondContact O-N 2.97Å; F76-L78 PolarHBondContact O-N 3.43Å; L78-F80 VanDerWaalsContact C-N 3.25Å; L78-F80 PolarHBondContact O-N 3.07Å; L78-R81 PolarHBondContact O-N 3.39Å
79R48.1Very low59.5Low161 Ų161112.5 Ų112.561%0.60853%0.527SS*.Hα-helixtrans-69.5-21.4173.2-86-176.1-170.1-127.28.4113.3H75 F76H75-R79 PolarHBondContact CE1-NE 2.77Å; H75-R79 PolarHBondContact CE1-NH2 3.37Å; H75-R79 PolarHBondContact ND1-NE 3.16Å; H75-R79 VanDerWaalsContact ND1-NE 3.13Å; H75-R79 WeakPolarHBondContact O-CB 3.42Å; H75-R79 WeakPolarHBondContact O-CG 3.49Å; H75-R79 PolarHBondContact O-N 3.41Å; F76-R79 PolarHBondContact O-N 3.19Å
80F51.5Low60.6Low145 Ų145107 Ų10764%0.63650%0.504SS*.THydrogen-bonded Turntrans-90.20.9173.4-67.2-76.1000113.8F76 K77 L78 K82F76-F80 HydrophobicContact CD1-CD2 4.35Å; F76-F80 AromaticContact CD1-CE2 3.72Å; F76-F80 HydrophobicContact CD1-CE2 3.72Å; F76-F80 HydrophobicContact CD2-CE2 4.01Å; F76-F80 HydrophobicContact CE1-CD2 4.38Å; F76-F80 AromaticContact CE1-CE2 3.45Å; F76-F80 HydrophobicContact CE1-CE2 3.45Å; F76-F80 VanDerWaalsContact CE1-CE2 3.45Å; F76-F80 HydrophobicContact CE1-CZ 4.12Å; F76-F80 AromaticContact CE2-CE2 3.75Å; F76-F80 HydrophobicContact CE2-CE2 3.75Å; F76-F80 HydrophobicContact CE2-CZ 4.09Å; F76-F80 HydrophobicContact CG-CE2 4Å; F76-F80 AromaticContact CZ-CE2 3.47Å; F76-F80 HydrophobicContact CZ-CE2 3.47Å; F76-F80 VanDerWaalsContact CZ-CE2 3.47Å; F76-F80 AromaticContact CZ-CZ 3.76Å; F76-F80 HydrophobicContact CZ-CZ 3.76Å; F76-F80 WeakPolarHBondContact O-CD2 3.37Å; F76-F80 PolarHBondContact O-N 2.9Å; K77-F80 PolarHBondContact O-N 3.5Å; L78-F80 VanDerWaalsContact C-N 3.25Å; L78-F80 PolarHBondContact O-N 3.07Å; F80-K82 PolarHBondContact O-N 3Å
81R59.7Low62Low167 Ų167103.4 Ų103.463%0.6349%0.49SS*.SBendtrans-85.515175.6-67.8174.873.1136.12.3113.3L78L78-R81 PolarHBondContact O-N 3.39Å
82K65.6Low63.1Low76 Ų76102.4 Ų102.433%0.3348%0.48SS..SBendtrans-107.7120.9178.3-63.5-174.8-171.6-177.70108.1F80 A86 L87 E90F80-K82 PolarHBondContact O-N 3Å; K82-A86 HydrophobicContact CB-CB 4.08Å; K82-L87 HydrophobicContact CB-CD2 3.69Å; K82-L87 HydrophobicContact CB-CG 3.86Å; K82-L87 HydrophobicContact CD-CD2 4.09Å; K82-L87 HydrophobicContact CG-CD2 4.49Å; K82-E90 WeakPolarHBondContact CD-OE1 3.44Å; K82-E90 VanDerWaalsContact CD-OE2 3.31Å; K82-E90 WeakPolarHBondContact CD-OE2 3.41Å; K82-E90 WeakPolarHBondContact CE-OE1 3.31Å; K82-E90 IonicContact NZ-OE1 2.56Å; K82-E90 PolarHBondContact NZ-OE1 3.01Å; K82-E90 IonicContact NZ-OE2 2.67Å; K82-E90 PolarHBondContact NZ-OE2 3.35Å
83N70.3Confident63.9Low70 Ų70100.1 Ų100.137%0.37448%0.481SS..  trans-60.5155.7169.9-168.7-6.4000108.9Q85 A86 L87N83-Q85 PolarHBondContact O-N 2.91Å; N83-Q85 VanDerWaalsContact O-N 3.09Å; N83-A86 WeakPolarHBondContact O-CA 3.42Å; N83-A86 WeakPolarHBondContact O-CB 3.5Å; N83-A86 PolarHBondContact O-N 3.44Å; N83-L87 PolarHBondContact O-N 3.13Å
84F74.2Confident64.7Low98 Ų98101.5 Ų101.543%0.4348%0.484SS..Hα-helixtrans-45.9-41.2175.2179.3-105.4000112.2A86 L87 L88 Y101F84-A86 PolarHBondContact O-N 3.3Å; F84-L87 PolarHBondContact O-N 2.66Å; F84-L88 HydrophobicContact CE1-CD2 4.38Å; F84-L88 HydrophobicContact CZ-CD1 4.37Å; F84-L88 WeakPolarHBondContact O-CB 3.2Å; F84-L88 PolarHBondContact O-N 3.13Å; F84-Y101 HydrophobicContact CE1-CD1 4.28Å; F84-Y101 AromaticContact CE1-CE1 3.75Å; F84-Y101 HydrophobicContact CE1-CE1 3.75Å; F84-Y101 HydrophobicContact CE1-CE2 4.24Å; F84-Y101 AromaticContact CE1-CZ 3.72Å; F84-Y101 HydrophobicContact CE2-CD2 4.29Å; F84-Y101 HydrophobicContact CE2-CE2 4.23Å; F84-Y101 AromaticContact CZ-CD1 3.77Å; F84-Y101 HydrophobicContact CZ-CD1 3.77Å; F84-Y101 AromaticContact CZ-CD2 3.68Å; F84-Y101 HydrophobicContact CZ-CD2 3.68Å; F84-Y101 AromaticContact CZ-CE1 3.56Å; F84-Y101 HydrophobicContact CZ-CE1 3.56Å; F84-Y101 AromaticContact CZ-CE2 3.46Å; F84-Y101 HydrophobicContact CZ-CE2 3.46Å; F84-Y101 VanDerWaalsContact CZ-CE2 3.46Å; F84-Y101 AromaticContact CZ-CG 3.83Å; F84-Y101 HydrophobicContact CZ-CG 3.83Å; F84-Y101 AromaticContact CZ-CZ 3.39Å
85Q76.3Confident65.5Low86 Ų86100.6 Ų100.640%0.40249%0.492SS..Hα-helixtrans-59.3-46.3175.8-173.860.92400113N83 L87 L88 E89N83-Q85 PolarHBondContact O-N 2.91Å; N83-Q85 VanDerWaalsContact O-N 3.09Å; Q85-L87 VanDerWaalsContact C-N 3.35Å; Q85-L87 PolarHBondContact O-N 3.31Å; Q85-L88 WeakPolarHBondContact O-CB 3.31Å; Q85-L88 PolarHBondContact O-N 2.89Å; Q85-E89 PolarHBondContact NE2-OE1 3.17Å; Q85-E89 WeakPolarHBondContact O-CG 3.05Å; Q85-E89 PolarHBondContact O-N 2.85Å
86A78.9Confident66.3Low33 Ų3398.6 Ų98.627%0.27349%0.491SS..Hα-helixtrans-67.8-35.7177.600000111.9K82 N83 F84 L88 E90K82-A86 HydrophobicContact CB-CB 4.08Å; N83-A86 WeakPolarHBondContact O-CA 3.42Å; N83-A86 WeakPolarHBondContact O-CB 3.5Å; N83-A86 PolarHBondContact O-N 3.44Å; F84-A86 PolarHBondContact O-N 3.3Å; A86-L88 VanDerWaalsContact C-N 3.3Å; A86-E90 WeakPolarHBondContact O-CB 3.49Å; A86-E90 WeakPolarHBondContact O-CG 3.43Å; A86-E90 PolarHBondContact O-N 3.42Å
87L78.3Confident67.1Low80 Ų80102.2 Ų102.242%0.41951%0.51SS..Hα-helixtrans-65.2-36173.2-66.2174.7000111.8K82 N83 F84 Q85 Q91K82-L87 HydrophobicContact CB-CD2 3.69Å; K82-L87 HydrophobicContact CB-CG 3.86Å; K82-L87 HydrophobicContact CD-CD2 4.09Å; K82-L87 HydrophobicContact CG-CD2 4.49Å; N83-L87 PolarHBondContact O-N 3.13Å; F84-L87 PolarHBondContact O-N 2.66Å; Q85-L87 VanDerWaalsContact C-N 3.35Å; Q85-L87 PolarHBondContact O-N 3.31Å; L87-Q91 WeakPolarHBondContact O-CB 3.47Å; L87-Q91 PolarHBondContact O-N 3.06Å
88L79.2Confident68.2Low25 Ų2596.7 Ų96.713%0.13150%0.496CS..Hα-helixtrans-70.3-43.4178.5-165.268.9000111.7F84 Q85 A86 E90 Q91 N92 Y101 L102F84-L88 HydrophobicContact CE1-CD2 4.38Å; F84-L88 HydrophobicContact CZ-CD1 4.37Å; F84-L88 WeakPolarHBondContact O-CB 3.2Å; F84-L88 PolarHBondContact O-N 3.13Å; Q85-L88 WeakPolarHBondContact O-CB 3.31Å; Q85-L88 PolarHBondContact O-N 2.89Å; A86-L88 VanDerWaalsContact C-N 3.3Å; L88-E90 VanDerWaalsContact C-N 3.35Å; L88-Q91 PolarHBondContact O-N 3.42Å; L88-N92 WeakPolarHBondContact O-CB 3.15Å; L88-N92 PolarHBondContact O-N 2.88Å; L88-Y101 HydrophobicContact CD1-CD1 3.56Å; L88-Y101 HydrophobicContact CD1-CG 3.86Å; L88-Y101 HydrophobicContact CD2-CD1 4.14Å; L88-Y101 HydrophobicContact CD2-CE1 4.49Å; L88-L102 HydrophobicContact CD2-CD2 4.23Å
89E79.3Confident69.4Low103 Ų10398.1 Ų98.148%0.48151%0.511SS..Hα-helixtrans-62.4-41.1175.1-73.9169.1-165.500111.8Q85 N92 L93Q85-E89 PolarHBondContact NE2-OE1 3.17Å; Q85-E89 WeakPolarHBondContact O-CG 3.05Å; Q85-E89 PolarHBondContact O-N 2.85Å; E89-N92 PolarHBondContact O-N 2.9Å; E89-L93 WeakPolarHBondContact O-CD1 3.48Å; E89-L93 WeakPolarHBondContact O-CG 3.47Å; E89-L93 PolarHBondContact O-N 3.48Å
90E77.9Confident71Confident80 Ų8092 Ų9237%0.37449%0.49SS..Hα-helixtrans-65.9-43.7176-77.2178.3-173.500113.1K82 A86 L88 N92 L93 S94K82-E90 WeakPolarHBondContact CD-OE1 3.44Å; K82-E90 VanDerWaalsContact CD-OE2 3.31Å; K82-E90 WeakPolarHBondContact CD-OE2 3.41Å; K82-E90 WeakPolarHBondContact CE-OE1 3.31Å; K82-E90 IonicContact NZ-OE1 2.56Å; K82-E90 PolarHBondContact NZ-OE1 3.01Å; K82-E90 IonicContact NZ-OE2 2.67Å; K82-E90 PolarHBondContact NZ-OE2 3.35Å; A86-E90 WeakPolarHBondContact O-CB 3.49Å; A86-E90 WeakPolarHBondContact O-CG 3.43Å; A86-E90 PolarHBondContact O-N 3.42Å; L88-E90 VanDerWaalsContact C-N 3.35Å; E90-N92 VanDerWaalsContact C-N 3.25Å; E90-N92 PolarHBondContact O-N 3.28Å; E90-L93 PolarHBondContact O-N 3.36Å; E90-S94 PolarHBondContact O-N 3.35Å; E90-S94 PolarHBondContact O-OG 3.05Å; E90-S94 VanDerWaalsContact O-OG 3.07Å
91Q75.6Confident72.3Confident72 Ų7291.6 Ų91.634%0.33649%0.485SS..Hα-helixtrans-61.6-37.2174.8-171.3-170.252.100111.2L87 L88 S94L87-Q91 WeakPolarHBondContact O-CB 3.47Å; L87-Q91 PolarHBondContact O-N 3.06Å; L88-Q91 PolarHBondContact O-N 3.42Å; Q91-S94 WeakPolarHBondContact CA-OG 3.34Å; Q91-S94 CarbonylContact O-C 3.32Å; Q91-S94 VanDerWaalsContact O-C 3.32Å; Q91-S94 PolarHBondContact O-N 3.34Å; Q91-S94 PolarHBondContact O-OG 3.03Å
92N71.5Confident73.1Confident106 Ų10688.2 Ų88.257%0.56748%0.479SS*.Hα-helixtrans-68.9-35.3177.6-170.763.6000112.4L88 E89 E90L88-N92 WeakPolarHBondContact O-CB 3.15Å; L88-N92 PolarHBondContact O-N 2.88Å; E89-N92 PolarHBondContact O-N 2.9Å; E90-N92 VanDerWaalsContact C-N 3.25Å; E90-N92 PolarHBondContact O-N 3.28Å
93L63.8Low73.8Confident148 Ų14888.8 Ų88.878%0.77549%0.489SS*.Hα-helixtrans-72.2-37.2174-74.2158.8000112.2E89 E90 A95E89-L93 WeakPolarHBondContact O-CD1 3.48Å; E89-L93 WeakPolarHBondContact O-CG 3.47Å; E89-L93 PolarHBondContact O-N 3.48Å; E90-L93 PolarHBondContact O-N 3.36Å; L93-A95 PolarHBondContact O-N 3.32Å
94S63Low74.3Confident75 Ų7589 Ų8952%0.52450%0.501SS..THydrogen-bonded Turntrans-86.375.2172.3680000109.3E90 Q91 S96E90-S94 PolarHBondContact O-N 3.35Å; E90-S94 PolarHBondContact O-OG 3.05Å; E90-S94 VanDerWaalsContact O-OG 3.07Å; Q91-S94 WeakPolarHBondContact CA-OG 3.34Å; Q91-S94 CarbonylContact O-C 3.32Å; Q91-S94 VanDerWaalsContact O-C 3.32Å; Q91-S94 PolarHBondContact O-N 3.34Å; Q91-S94 PolarHBondContact O-OG 3.03Å; S94-S96 VanDerWaalsContact C-N 3.3Å; S94-S96 PolarHBondContact O-N 3.47Å
95A65.2Low74.6Confident92 Ų9288.5 Ų88.576%0.7651%0.509SS*.THydrogen-bonded Turntrans-44.391.3-17800000112.1L93L93-A95 PolarHBondContact O-N 3.32Å
96S64.2Low74.9Confident73 Ų7389.2 Ų89.251%0.5153%0.529SS..  trans-87.6117.6-178.6173.20000106.1S94 G98S94-S96 VanDerWaalsContact C-N 3.3Å; S94-S96 PolarHBondContact O-N 3.47Å; S96-G98 PolarHBondContact O-N 3.36Å
97E64.1Low75.1Confident209 Ų20990.5 Ų90.598%0.97755%0.546SS*.SBendtrans-72.444.9-175.8-62.8-169150.200113.7
98G75.1Confident75.5Confident36 Ų3692.8 Ų92.837%0.37157%0.565SS.*SBendtrans-149.9175.9-179.600000113.3S96 N100S96-G98 PolarHBondContact O-N 3.36Å; G98-N100 PolarHBondContact O-N 2.89Å
99P76.8Confident75.9Confident125 Ų12596.7 Ų96.781%0.81259%0.592SS**  trans-60.8112.9178.124.4-32000110.3T103P99-T103 WeakPolarHBondContact CA-OG1 3.46Å
100N79.8Confident76.4Confident34 Ų3497.8 Ų97.818%0.18261%0.611CS.*  trans-95.7173.9176.27223000111.4G98 L102 T103 A104G98-N100 PolarHBondContact O-N 2.89Å; N100-L102 PolarHBondContact O-N 3.38Å; N100-L102 WeakPolarHBondContact OD1-CA 3.34Å; N100-L102 WeakPolarHBondContact OD1-CB 3.31Å; N100-L102 PolarHBondContact OD1-N 2.94Å; N100-T103 PolarHBondContact N-OG1 2.75Å; N100-T103 PolarHBondContact O-N 3.05Å; N100-T103 VanDerWaalsContact O-N 3.12Å; N100-T103 PolarHBondContact O-OG1 3.19Å; N100-T103 WeakPolarHBondContact OD1-CB 3.42Å; N100-T103 VanDerWaalsContact OD1-CG2 3.25Å; N100-T103 WeakPolarHBondContact OD1-CG2 3.47Å; N100-T103 PolarHBondContact OD1-N 3.12Å; N100-T103 PolarHBondContact OD1-OG1 2.93Å; N100-T103 VanDerWaalsContact OD1-OG1 3.05Å; N100-A104 WeakPolarHBondContact O-CB 3.44Å; N100-A104 PolarHBondContact O-N 3.34Å
101Y79.1Confident77Confident135 Ų135104 Ų10453%0.52963%0.631SS.*THydrogen-bonded Turntrans-56-35.3-179.1178.9-95.8000113.3F84 L88F84-Y101 HydrophobicContact CE1-CD1 4.28Å; F84-Y101 AromaticContact CE1-CE1 3.75Å; F84-Y101 HydrophobicContact CE1-CE1 3.75Å; F84-Y101 HydrophobicContact CE1-CE2 4.24Å; F84-Y101 AromaticContact CE1-CZ 3.72Å; F84-Y101 HydrophobicContact CE2-CD2 4.29Å; F84-Y101 HydrophobicContact CE2-CE2 4.23Å; F84-Y101 AromaticContact CZ-CD1 3.77Å; F84-Y101 HydrophobicContact CZ-CD1 3.77Å; F84-Y101 AromaticContact CZ-CD2 3.68Å; F84-Y101 HydrophobicContact CZ-CD2 3.68Å; F84-Y101 AromaticContact CZ-CE1 3.56Å; F84-Y101 HydrophobicContact CZ-CE1 3.56Å; F84-Y101 AromaticContact CZ-CE2 3.46Å; F84-Y101 HydrophobicContact CZ-CE2 3.46Å; F84-Y101 VanDerWaalsContact CZ-CE2 3.46Å; F84-Y101 AromaticContact CZ-CG 3.83Å; F84-Y101 HydrophobicContact CZ-CG 3.83Å; F84-Y101 AromaticContact CZ-CZ 3.39Å; L88-Y101 HydrophobicContact CD1-CD1 3.56Å; L88-Y101 HydrophobicContact CD1-CG 3.86Å; L88-Y101 HydrophobicContact CD2-CD1 4.14Å; L88-Y101 HydrophobicContact CD2-CE1 4.49Å
102L77.6Confident77.6Confident96 Ų96106 Ų10650%0.50365%0.651SS.*THydrogen-bonded Turntrans-76-33.5179.4-60.7175.7000112.8L88 N100 C105L88-L102 HydrophobicContact CD2-CD2 4.23Å; N100-L102 PolarHBondContact O-N 3.38Å; N100-L102 WeakPolarHBondContact OD1-CA 3.34Å; N100-L102 WeakPolarHBondContact OD1-CB 3.31Å; N100-L102 PolarHBondContact OD1-N 2.94Å; L102-C105 PolarHBondContact O-SG 2.77Å; L102-C105 VanDerWaalsContact O-SG 3.36Å
103T79.8Confident78.3Confident88 Ų88109.5 Ų109.554%0.5466%0.663SS.*THydrogen-bonded Turntrans-84-19.6179.559.90000112.8P99 N100 C105P99-T103 WeakPolarHBondContact CA-OG1 3.46Å; N100-T103 PolarHBondContact N-OG1 2.75Å; N100-T103 PolarHBondContact O-N 3.05Å; N100-T103 VanDerWaalsContact O-N 3.12Å; N100-T103 PolarHBondContact O-OG1 3.19Å; N100-T103 WeakPolarHBondContact OD1-CB 3.42Å; N100-T103 VanDerWaalsContact OD1-CG2 3.25Å; N100-T103 WeakPolarHBondContact OD1-CG2 3.47Å; N100-T103 PolarHBondContact OD1-N 3.12Å; N100-T103 PolarHBondContact OD1-OG1 2.93Å; N100-T103 VanDerWaalsContact OD1-OG1 3.05Å; T103-C105 PolarHBondContact O-N 3.01Å
104A81.3Confident79.6Confident75 Ų75110.8 Ų110.862%0.6266%0.658SS**THydrogen-bonded Turntrans-76.5-2.6175.900000113.3N100 A106N100-A104 WeakPolarHBondContact O-CB 3.44Å; N100-A104 PolarHBondContact O-N 3.34Å; A104-A106 PolarHBondContact O-N 3.24Å
105C80.1Confident80.9Confident88 Ų88109.7 Ų109.760%0.59565%0.649SS**PPolyproline II helixtrans-61.8127.5178.3-67.30000111.3L102 T103 G107L102-C105 PolarHBondContact O-SG 2.77Å; L102-C105 VanDerWaalsContact O-SG 3.36Å; T103-C105 PolarHBondContact O-N 3.01Å; C105-G107 PolarHBondContact O-N 2.98Å
106A82.4Confident82.3Confident100 Ų100110.4 Ų110.483%0.82664%0.635SS**PPolyproline II helixtrans-64.5135.4172.600000110.2A104A104-A106 PolarHBondContact O-N 3.24Å
107G82.9Confident83.7Confident61 Ų61107.2 Ų107.263%0.62961%0.613SS**PPolyproline II helixtrans-64.3171174.300000112.9C105C105-G107 PolarHBondContact O-N 2.98Å
108P86Confident84.9Confident128 Ų12899.9 Ų99.983%0.83159%0.588SS**PPolyproline II helixtrans-54.7146.7178.6-24.834000112.5S110P108-S110 PolarHBondContact O-N 3.31Å
109P88.6Confident85.7Confident107 Ų107100 Ų10070%0.69558%0.582SS**PPolyproline II helixtrans-63.6128.5-178.925.9-33.7000111R111P109-R111 VanDerWaalsContact C-N 3.27Å; P109-R111 PolarHBondContact O-N 2.99Å
110S90.8Very high86.4Confident125 Ų12596.7 Ų96.787%0.87456%0.56SS**SBendtrans-71.7-20.2175.7166.80000113.2P108P108-S110 PolarHBondContact O-N 3.31Å
111R89.9Confident87Confident210 Ų21097.1 Ų97.179%0.79257%0.573SS**SBendtrans-104.6148.6-175.6-64.8-172.8-177.999.40.3111.9P109P109-R111 VanDerWaalsContact C-N 3.27Å; P109-R111 PolarHBondContact O-N 2.99Å
112P88.2Confident87.7Confident116 Ų11697.2 Ų97.275%0.75358%0.576SS**PPolyproline II helixtrans-64.3146.9178.527.3-35.1000111.8R114P112-R114 PolarHBondContact O-N 3.41Å
113Q86.5Confident88.5Confident178 Ų17896.8 Ų96.883%0.83258%0.579SS**PPolyproline II helixtrans-64.1132177.5-68-170.3-5.800111.1
114R90.9Very high89Confident175 Ų17592.8 Ų92.866%0.6656%0.555SS**PPolyproline II helixtrans-95.7123.4177.5-58.5-173.198.5-119.38.2110.1P112 F116P112-R114 PolarHBondContact O-N 3.41Å; R114-F116 HydrophobicContact CB-CE2 3.79Å; R114-F116 HydrophobicContact CB-CZ 3.81Å; R114-F116 WeakPolarHBondContact O-CD2 3.22Å; R114-F116 PolarHBondContact O-N 3.41Å
115P90.3Very high89.5Confident52 Ų5293.9 Ų93.934%0.33856%0.556SS.*  trans-78.5112-179.729.2-33.8000112.1P123 S124 R134P115-P123 WeakPolarHBondContact O-CA 3.46Å; P115-S124 WeakPolarHBondContact CB-O 3.4Å; P115-S124 PolarHBondContact O-N 3.26Å; P115-S124 PolarHBondContact O-OG 3.32Å; P115-S124 VanDerWaalsContact O-OG 3.12Å; P115-R134 VanDerWaalsContact CB-NH1 3.33Å
116F94Very high90Very high108 Ų10895.8 Ų95.847%0.47455%0.551SS.*BIsolated β-bridgetrans-107.2146.6175.8-61.7-66000112.8R114 A118 G121 S124R114-F116 HydrophobicContact CB-CE2 3.79Å; R114-F116 HydrophobicContact CB-CZ 3.81Å; R114-F116 WeakPolarHBondContact O-CD2 3.22Å; R114-F116 PolarHBondContact O-N 3.41Å; F116-A118 PolarHBondContact O-N 2.88Å; F116-G121 WeakPolarHBondContact CD1-O 3.36Å; F116-S124 PolarHBondContact O-OG 3.27Å
117C93Very high90.4Very high5 Ų594.3 Ų94.33%0.03453%0.532CS..  trans-66.3127.4176.81800000110V119 C120 G121 F122 S124 R134 C136C117-V119 PolarHBondContact O-N 3.49Å; C117-V119 VanDerWaalsContact O-N 3.13Å; C117-V119 PolarHBondContact SG-N 2.98Å; C117-C120 PolarHBondContact SG-SG 3.22Å; C117-G121 WeakPolarHBondContact O-CA 3.38Å; C117-G121 PolarHBondContact O-N 3.07Å; C117-F122 VanDerWaalsContact CB-O 3.31Å; C117-F122 WeakPolarHBondContact CB-O 3.25Å; C117-F122 PolarHBondContact N-O 3.5Å; C117-S124 PolarHBondContact N-OG 3.05Å; C117-S124 VanDerWaalsContact N-OG 3.15Å; C117-R134 WeakPolarHBondContact CA-O 3.45Å; C117-C136 HydrophobicContact CB-CB 4.17Å
118A90.1Very high90.7Very high55 Ų5591.6 Ų91.646%0.45550%0.503SS..THydrogen-bonded Turntrans-69-9.3179.600000114.2F116 A133 R134F116-A118 PolarHBondContact O-N 2.88Å; A118-A133 HydrophobicContact CB-CB 4.48Å; A118-R134 PolarHBondContact N-O 2.67Å
119V91.1Very high90.6Very high40 Ų4089.9 Ų89.924%0.24249%0.49CS..THydrogen-bonded Turntrans-100.6-45-179.2-177.60000111.8C117 C140 T143 H144C117-V119 PolarHBondContact O-N 3.49Å; C117-V119 VanDerWaalsContact O-N 3.13Å; C117-V119 PolarHBondContact SG-N 2.98Å; V119-C140 HydrophobicContact CB-CB 4.09Å; V119-C140 HydrophobicContact CG1-CB 4.5Å; V119-C140 HydrophobicContact CG2-CB 4.21Å; V119-C140 WeakPolarHBondContact CG2-O 3.31Å; V119-T143 HydrophobicContact CG1-CG2 3.99Å; V119-H144 HydrophobicContact CG2-CB 4.02Å
120C92.8Very high90.4Very high54 Ų5485.1 Ų85.137%0.36546%0.46SS..THydrogen-bonded Turntrans-126.9-0.6-171.5610000114.8C117 F122 C136 C140C117-C120 PolarHBondContact SG-SG 3.22Å; C120-F122 HydrophobicContact CB-CD2 3.97Å; C120-F122 HydrophobicContact CB-CE2 4.44Å; C120-F122 PolarHBondContact O-N 2.9Å; C120-F122 VanDerWaalsContact O-N 3.13Å; C120-C136 PolarHBondContact SG-SG 2.98Å; C120-C140 VanDerWaalsContact SG-SG 3.68Å
121G92Very high90Very high43 Ų4380.2 Ų80.244%0.44343%0.425SS..  trans75.6-7.8175.500000116.3F116 C117F116-G121 WeakPolarHBondContact CD1-O 3.36Å; C117-G121 WeakPolarHBondContact O-CA 3.38Å; C117-G121 PolarHBondContact O-N 3.07Å
122F93.8Very high89.8Confident138 Ų13871.3 Ų71.361%0.60540%0.399SS*.SBendtrans-68.9156.8175.8-69.8-71.9000112.8C117 C120 S124C117-F122 VanDerWaalsContact CB-O 3.31Å; C117-F122 WeakPolarHBondContact CB-O 3.25Å; C117-F122 PolarHBondContact N-O 3.5Å; C120-F122 HydrophobicContact CB-CD2 3.97Å; C120-F122 HydrophobicContact CB-CE2 4.44Å; C120-F122 PolarHBondContact O-N 2.9Å; C120-F122 VanDerWaalsContact O-N 3.13Å; F122-S124 PolarHBondContact O-N 3.09Å
123P93.8Very high89.9Confident87 Ų8767.1 Ų67.157%0.56537%0.374SS*.BIsolated β-bridgetrans-51.2134.3173.3-26.134.8000111.7P115P115-P123 WeakPolarHBondContact O-CA 3.46Å
124S91.2Very high90.1Very high3 Ų363.9 Ų63.92%0.02135%0.354CS..  trans-130.7117.2-171.252.60000111.4P115 F116 C117 F122 R134 Y135P115-S124 WeakPolarHBondContact CB-O 3.4Å; P115-S124 PolarHBondContact O-N 3.26Å; P115-S124 PolarHBondContact O-OG 3.32Å; P115-S124 VanDerWaalsContact O-OG 3.12Å; F116-S124 PolarHBondContact O-OG 3.27Å; C117-S124 PolarHBondContact N-OG 3.05Å; C117-S124 VanDerWaalsContact N-OG 3.15Å; F122-S124 PolarHBondContact O-N 3.09Å; S124-R134 WeakPolarHBondContact OG-CB 3.41Å; S124-Y135 VanDerWaalsContact CB-C 3.44Å; S124-Y135 VanDerWaalsContact CB-O 3.31Å; S124-Y135 WeakPolarHBondContact CB-O 3.5Å
125P90.5Very high90.3Very high99 Ų9957.3 Ų57.364%0.64333%0.329SS*.  trans-85.5-19175.732.4-32000112.3
126Y91.4Very high90.5Very high127 Ų12756 Ų5650%0.49832%0.322SS..EExtended strand (participates in β ladder)trans-99.7152.3-171.6-50.3-70.8000113.3R134 Y135Y126-R134 CarbonylContact O-C 3.59Å; Y126-R134 VanDerWaalsContact O-CA 3.23Å; Y126-R134 WeakPolarHBondContact O-CA 3.38Å; Y126-Y135 WeakPolarHBondContact CB-O 3.37Å; Y126-Y135 HydrophobicContact CD2-CD2 4.24Å; Y126-Y135 AromaticContact CD2-CE2 3.92Å; Y126-Y135 HydrophobicContact CD2-CE2 3.92Å; Y126-Y135 HydrophobicContact CG-CD2 4.41Å; Y126-Y135 AromaticContact CG-CE2 3.83Å; Y126-Y135 HydrophobicContact CG-CE2 3.83Å; Y126-Y135 PolarHBondContact N-O 2.79Å; Y126-Y135 PolarHBondContact O-N 2.56Å
127T90.6Very high90.4Very high69 Ų6954.1 Ų54.142%0.42332%0.319SS..EExtended strand (participates in β ladder)trans-128.5134.8179.254.10000111.5V129 R134T127-V129 PolarHBondContact O-N 2.65Å; T127-R134 HydrophobicContact CG2-CG 4.04Å; T127-R134 VanDerWaalsContact CG2-NE 3.28Å
128C88.7Confident90.4Very high4 Ų459.5 Ų59.53%0.02735%0.351CS..  trans-64.5129.4173.9179.80000110.5S130 G132 A133 H144C128-S130 VanDerWaalsContact C-N 3.3Å; C128-S130 PolarHBondContact O-N 3.47Å; C128-G132 WeakPolarHBondContact O-CA 3.45Å; C128-G132 PolarHBondContact O-N 3.2Å; C128-A133 WeakPolarHBondContact CB-O 3.45Å; C128-A133 PolarHBondContact N-O 3.04Å; C128-H144 PolarHBondContact SG-NE2 3.25Å
129V84.4Confident90.6Very high92 Ų9267.4 Ų67.456%0.55837%0.369SS*.THydrogen-bonded Turntrans-64.4-35.6-179.6-173.10000111.9V18 T127V18-V129 HydrophobicContact CB-CG1 4.05Å; V18-V129 HydrophobicContact CG1-CG1 3.64Å; V18-V129 HydrophobicContact CG2-CG1 3.43Å; V18-V129 VanDerWaalsContact CG2-CG1 3.43Å; T127-V129 PolarHBondContact O-N 2.65Å
130S83.4Confident90.7Very high7 Ų766.1 Ų66.15%0.04936%0.362CS..THydrogen-bonded Turntrans-76.5-47.6-175.2-41.50000113.1C128C128-S130 VanDerWaalsContact C-N 3.3Å; C128-S130 PolarHBondContact O-N 3.47Å
131C83.6Confident90.6Very high22 Ų2265.1 Ų65.115%0.14935%0.353CS..THydrogen-bonded Turntrans-116.9-10.4-173.271.40000114.7R24 A133 H144 L150R24-C131 VanDerWaalsContact CD-O 3.24Å; R24-C131 WeakPolarHBondContact CD-O 3.42Å; C131-A133 VanDerWaalsContact C-N 3.26Å; C131-A133 PolarHBondContact O-N 3.34Å; C131-A133 WeakPolarHBondContact SG-CB 3.36Å; C131-A133 PolarHBondContact SG-N 3.07Å; C131-A133 VanDerWaalsContact SG-N 3.41Å; C131-H144 PolarHBondContact SG-CE1 2.87Å; C131-H144 PolarHBondContact SG-NE2 3.49Å; C131-L150 HydrophobicContact CB-CD2 3.88Å; C131-L150 HydrophobicContact CB-CG 4.25Å
132G85.9Confident90.6Very high23 Ų2364.1 Ų64.124%0.23734%0.342CS..  trans78.6-1.1-177.600000115.4C128C128-G132 WeakPolarHBondContact O-CA 3.45Å; C128-G132 PolarHBondContact O-N 3.2Å
133A89.2Confident90.5Very high28 Ų2860.2 Ų60.223%0.23133%0.33CS..  trans-62.7144.4176.700000111.4A118 C128 C131 H144A118-A133 HydrophobicContact CB-CB 4.48Å; C128-A133 WeakPolarHBondContact CB-O 3.45Å; C128-A133 PolarHBondContact N-O 3.04Å; C131-A133 VanDerWaalsContact C-N 3.26Å; C131-A133 PolarHBondContact O-N 3.34Å; C131-A133 WeakPolarHBondContact SG-CB 3.36Å; C131-A133 PolarHBondContact SG-N 3.07Å; C131-A133 VanDerWaalsContact SG-N 3.41Å; A133-H144 VanDerWaalsContact CB-CE1 3.48Å; A133-H144 WeakPolarHBondContact CB-CE1 3.22Å
134R91.8Very high90.4Very high110 Ų11056.4 Ų56.442%0.41531%0.305SS..EExtended strand (participates in β ladder)trans-89.5144.1-176.4-60.2-116.8171.879.5-6.8112.2P115 C117 A118 S124 Y126 T127P115-R134 VanDerWaalsContact CB-NH1 3.33Å; C117-R134 WeakPolarHBondContact CA-O 3.45Å; A118-R134 PolarHBondContact N-O 2.67Å; S124-R134 WeakPolarHBondContact OG-CB 3.41Å; Y126-R134 CarbonylContact O-C 3.59Å; Y126-R134 VanDerWaalsContact O-CA 3.23Å; Y126-R134 WeakPolarHBondContact O-CA 3.38Å; T127-R134 HydrophobicContact CG2-CG 4.04Å; T127-R134 VanDerWaalsContact CG2-NE 3.28Å
135Y94Very high90.3Very high37 Ų3759.7 Ų59.715%0.14532%0.32CS..EExtended strand (participates in β ladder)trans-141.2150.1178.267-90.9000111.9S124 Y126 T137 L141S124-Y135 VanDerWaalsContact CB-C 3.44Å; S124-Y135 VanDerWaalsContact CB-O 3.31Å; S124-Y135 WeakPolarHBondContact CB-O 3.5Å; Y126-Y135 WeakPolarHBondContact CB-O 3.37Å; Y126-Y135 HydrophobicContact CD2-CD2 4.24Å; Y126-Y135 AromaticContact CD2-CE2 3.92Å; Y126-Y135 HydrophobicContact CD2-CE2 3.92Å; Y126-Y135 HydrophobicContact CG-CD2 4.41Å; Y126-Y135 AromaticContact CG-CE2 3.83Å; Y126-Y135 HydrophobicContact CG-CE2 3.83Å; Y126-Y135 PolarHBondContact N-O 2.79Å; Y126-Y135 PolarHBondContact O-N 2.56Å; Y135-T137 WeakPolarHBondContact CD2-O 3.46Å; Y135-L141 HydrophobicContact CD1-CB 4.43Å; Y135-L141 HydrophobicContact CD1-CD1 3.94Å; Y135-L141 HydrophobicContact CD2-CB 3.91Å; Y135-L141 HydrophobicContact CE1-CB 4.48Å; Y135-L141 HydrophobicContact CE1-CD1 3.76Å; Y135-L141 HydrophobicContact CE1-CD2 4.37Å; Y135-L141 HydrophobicContact CE1-CG 4.42Å; Y135-L141 HydrophobicContact CE2-CB 3.98Å; Y135-L141 HydrophobicContact CE2-CD2 4.26Å; Y135-L141 HydrophobicContact CG-CB 4.14Å; Y135-L141 HydrophobicContact CG-CD1 4.48Å
136C94.1Very high90.1Very high26 Ų2662.6 Ų62.618%0.17633%0.325CS..SBendtrans-93.5-32.5-179.660.90000113.4C117 C120C117-C136 HydrophobicContact CB-CB 4.17Å; C120-C136 PolarHBondContact SG-SG 2.98Å
137T93.8Very high89.8Confident67 Ų6759.5 Ų59.541%0.41132%0.319SS..SBendtrans-140.2161.9-174.760.60000111.8Y135 R139 C140 L141Y135-T137 WeakPolarHBondContact CD2-O 3.46Å; T137-R139 PolarHBondContact O-N 2.87Å; T137-C140 WeakPolarHBondContact O-CB 3.49Å; T137-C140 PolarHBondContact O-N 3.36Å; T137-C140 PolarHBondContact OG1-N 2.89Å; T137-C140 PolarHBondContact OG1-SG 3.43Å; T137-L141 PolarHBondContact O-N 2.8Å
138V92.4Very high89.4Confident119 Ų11960.8 Ų60.872%0.72132%0.316SS*.Hα-helixtrans-59.5-33.7175.4-177.50000111.8C140 L141 G142V138-C140 PolarHBondContact O-N 3.24Å; V138-L141 WeakPolarHBondContact O-CB 3.14Å; V138-L141 PolarHBondContact O-N 3.49Å; V138-L141 VanDerWaalsContact O-N 3.13Å; V138-G142 PolarHBondContact O-N 3.17Å
139R93.6Very high89.2Confident221 Ų22161.5 Ų61.583%0.83432%0.321SS*.Hα-helixtrans-59.9-46.7173-66.4-174.8-178.8-177.90.6111.4T137 L141 G142 T143T137-R139 PolarHBondContact O-N 2.87Å; R139-L141 VanDerWaalsContact C-N 3.28Å; R139-L141 PolarHBondContact O-N 3.47Å; R139-G142 PolarHBondContact O-N 3.44Å; R139-T143 PolarHBondContact O-N 3.15Å; R139-T143 PolarHBondContact O-OG1 3.36Å
140C93.7Very high88.8Confident13 Ų1360.2 Ų60.29%0.08831%0.311CS..Hα-helixtrans-64.8-33.2175.2-68.60000112V119 C120 T137 V138 H144V119-C140 HydrophobicContact CB-CB 4.09Å; V119-C140 HydrophobicContact CG1-CB 4.5Å; V119-C140 HydrophobicContact CG2-CB 4.21Å; V119-C140 WeakPolarHBondContact CG2-O 3.31Å; C120-C140 VanDerWaalsContact SG-SG 3.68Å; T137-C140 WeakPolarHBondContact O-CB 3.49Å; T137-C140 PolarHBondContact O-N 3.36Å; T137-C140 PolarHBondContact OG1-N 2.89Å; T137-C140 PolarHBondContact OG1-SG 3.43Å; V138-C140 PolarHBondContact O-N 3.24Å; C140-H144 WeakPolarHBondContact O-CB 3.48Å; C140-H144 PolarHBondContact O-N 3.23Å
141L91.5Very high88Confident32 Ų3266 Ų6617%0.16834%0.335CS..Hα-helixtrans-63.7-44.9173.1179.261.9000111.7Y135 T137 V138 R139 H144 Q145Y135-L141 HydrophobicContact CD1-CB 4.43Å; Y135-L141 HydrophobicContact CD1-CD1 3.94Å; Y135-L141 HydrophobicContact CD2-CB 3.91Å; Y135-L141 HydrophobicContact CE1-CB 4.48Å; Y135-L141 HydrophobicContact CE1-CD1 3.76Å; Y135-L141 HydrophobicContact CE1-CD2 4.37Å; Y135-L141 HydrophobicContact CE1-CG 4.42Å; Y135-L141 HydrophobicContact CE2-CB 3.98Å; Y135-L141 HydrophobicContact CE2-CD2 4.26Å; Y135-L141 HydrophobicContact CG-CB 4.14Å; Y135-L141 HydrophobicContact CG-CD1 4.48Å; T137-L141 PolarHBondContact O-N 2.8Å; V138-L141 WeakPolarHBondContact O-CB 3.14Å; V138-L141 PolarHBondContact O-N 3.49Å; V138-L141 VanDerWaalsContact O-N 3.13Å; R139-L141 VanDerWaalsContact C-N 3.28Å; R139-L141 PolarHBondContact O-N 3.47Å; L141-H144 WeakPolarHBondContact O-CB 3.22Å; L141-H144 PolarHBondContact O-N 3.39Å; L141-Q145 HydrophobicContact CD1-CG 4.11Å; L141-Q145 HydrophobicContact CG-CG 4.42Å; L141-Q145 WeakPolarHBondContact O-CB 3.32Å; L141-Q145 VanDerWaalsContact O-CG 3.26Å; L141-Q145 WeakPolarHBondContact O-CG 3.47Å; L141-Q145 PolarHBondContact O-N 3.35Å
142G91.7Very high86.6Confident22 Ų2272.9 Ų72.923%0.22736%0.358CS..Hα-helixtrans-59.6-53.4175.900000111.9V138 R139 H144 Q145 E146V138-G142 PolarHBondContact O-N 3.17Å; R139-G142 PolarHBondContact O-N 3.44Å; G142-H144 VanDerWaalsContact C-N 3.26Å; G142-H144 PolarHBondContact O-N 3.42Å; G142-Q145 PolarHBondContact O-N 3.43Å; G142-Q145 VanDerWaalsContact O-N 3.08Å; G142-E146 WeakPolarHBondContact O-CG 3.42Å; G142-E146 PolarHBondContact O-N 3.26Å
143T91.7Very high85.2Confident56 Ų5673.6 Ų73.634%0.34436%0.357SS..Hα-helixtrans-58.1-40.1175.9-52.80000112V119 R139 T147V119-T143 HydrophobicContact CG1-CG2 3.99Å; R139-T143 PolarHBondContact O-N 3.15Å; R139-T143 PolarHBondContact O-OG1 3.36Å; T143-T147 PolarHBondContact O-N 2.75Å; T143-T147 PolarHBondContact O-OG1 3.13Å
144H90.9Very high83.2Confident7 Ų779.4 Ų79.43%0.03239%0.39CS..Hα-helixtrans-61.5-48.4175.4166.672.6000111.3V119 C128 C131 A133 C140 L141 G142 E146 T147 R148 C149V119-H144 HydrophobicContact CG2-CB 4.02Å; C128-H144 PolarHBondContact SG-NE2 3.25Å; C131-H144 PolarHBondContact SG-CE1 2.87Å; C131-H144 PolarHBondContact SG-NE2 3.49Å; A133-H144 VanDerWaalsContact CB-CE1 3.48Å; A133-H144 WeakPolarHBondContact CB-CE1 3.22Å; C140-H144 WeakPolarHBondContact O-CB 3.48Å; C140-H144 PolarHBondContact O-N 3.23Å; L141-H144 WeakPolarHBondContact O-CB 3.22Å; L141-H144 PolarHBondContact O-N 3.39Å; G142-H144 VanDerWaalsContact C-N 3.26Å; G142-H144 PolarHBondContact O-N 3.42Å; H144-E146 VanDerWaalsContact C-N 3.3Å; H144-E146 PolarHBondContact O-N 2.94Å; H144-T147 PolarHBondContact O-N 2.76Å; H144-R148 CarbonylContact O-C 3.48Å; H144-R148 WeakPolarHBondContact O-CA 3.37Å; H144-R148 PolarHBondContact O-N 3.19Å; H144-C149 WeakPolarHBondContact NE2-CB 3.33Å; H144-C149 WeakPolarHBondContact O-CB 3.02Å; H144-C149 PolarHBondContact O-N 3.36Å
145Q88.5Confident82.7Confident73 Ų7377.9 Ų77.934%0.34139%0.388SS..Hα-helixtrans-62.3-36.1-179.4-75.2175-6.400112.8L141 G142L141-Q145 HydrophobicContact CD1-CG 4.11Å; L141-Q145 HydrophobicContact CG-CG 4.42Å; L141-Q145 WeakPolarHBondContact O-CB 3.32Å; L141-Q145 VanDerWaalsContact O-CG 3.26Å; L141-Q145 WeakPolarHBondContact O-CG 3.47Å; L141-Q145 PolarHBondContact O-N 3.35Å; G142-Q145 PolarHBondContact O-N 3.43Å; G142-Q145 VanDerWaalsContact O-N 3.08Å
146E87.4Confident82.1Confident160 Ų16080 Ų8075%0.74840%0.401SS*.Hα-helixtrans-75.3-43.1179.9-71167.9-160.900113G142 H144G142-E146 WeakPolarHBondContact O-CG 3.42Å; G142-E146 PolarHBondContact O-N 3.26Å; H144-E146 VanDerWaalsContact C-N 3.3Å; H144-E146 PolarHBondContact O-N 2.94Å
147T85.6Confident81.5Confident61 Ų6183 Ų8337%0.37441%0.414SS..Hα-helixtrans-111.6-24.2-164.861.40000114.7T143 H144 K151T143-T147 PolarHBondContact O-N 2.75Å; T143-T147 PolarHBondContact O-OG1 3.13Å; H144-T147 PolarHBondContact O-N 2.76Å; T147-K151 VanDerWaalsContact O-CD 3.31Å; T147-K151 WeakPolarHBondContact O-CD 3.18Å
148R81.6Confident80.7Confident96 Ų9683.9 Ų83.936%0.36241%0.414SS..THydrogen-bonded Turntrans-129.3-25.2-165-69.3173.817988.5-11.4114.4H144 L150 K151H144-R148 CarbonylContact O-C 3.48Å; H144-R148 WeakPolarHBondContact O-CA 3.37Å; H144-R148 PolarHBondContact O-N 3.19Å; R148-L150 PolarHBondContact O-N 2.75Å; R148-L150 VanDerWaalsContact O-N 3.15Å; R148-K151 PolarHBondContact O-N 2.73Å
149C85.1Confident80Confident19 Ų1981.8 Ų81.813%0.12840%0.395CS..THydrogen-bonded Turntrans-64.7115.9-174.9-175.20000110.6H144 K151H144-C149 WeakPolarHBondContact NE2-CB 3.33Å; H144-C149 WeakPolarHBondContact O-CB 3.02Å; H144-C149 PolarHBondContact O-N 3.36Å; C149-K151 PolarHBondContact O-N 3.12Å
150L74.9Confident79.1Confident66 Ų6672.5 Ų72.535%0.34637%0.366SS..THydrogen-bonded Turntrans61.16.7179.9-57.9169.9000115.9L19 C131 R148 T153L19-L150 HydrophobicContact CD1-CD2 3.94Å; C131-L150 HydrophobicContact CB-CD2 3.88Å; C131-L150 HydrophobicContact CB-CG 4.25Å; R148-L150 PolarHBondContact O-N 2.75Å; R148-L150 VanDerWaalsContact O-N 3.15Å; L150-T153 VanDerWaalsContact CA-OG1 3.29Å; L150-T153 WeakPolarHBondContact CA-OG1 3.38Å; L150-T153 PolarHBondContact O-OG1 3.38Å
151K66.8Low78.1Confident128 Ų12876.7 Ų76.756%0.55739%0.385SS*.THydrogen-bonded Turntrans-72.1-37-179.3-173.4171.3-178.8169.80113T147 R148 C149T147-K151 VanDerWaalsContact O-CD 3.31Å; T147-K151 WeakPolarHBondContact O-CD 3.18Å; R148-K151 PolarHBondContact O-N 2.73Å; C149-K151 PolarHBondContact O-N 3.12Å
152W55.2Low77Confident167 Ų16780.2 Ų80.263%0.63340%0.402SS*.THydrogen-bonded Turntrans-104.316.7-176.1-52102.9000112.8Q31Q31-W152 VanDerWaalsContact CD-O 3.3Å; Q31-W152 PolarHBondContact NE2-O 3.42Å; Q31-W152 VanDerWaalsContact NE2-O 3.16Å; Q31-W152 PolarHBondContact OE1-O 3.41Å
153T56.5Low75.8Confident37 Ų3785 Ų8523%0.22742%0.417CS..  trans-115.726.2-17463.50000113.2R27 L150R27-T153 PolarHBondContact NH1-O 3.19Å; R27-T153 PolarHBondContact NH1-OG1 2.9Å; L150-T153 VanDerWaalsContact CA-OG1 3.29Å; L150-T153 WeakPolarHBondContact CA-OG1 3.38Å; L150-T153 PolarHBondContact O-OG1 3.38Å
154V45.7Very low74.4Confident150 Ų15087.6 Ų87.691%0.90942%0.423SS*.  trans-95.30171.6-178.90000107.6

Retrieved 154 of 154 residues in 87.1 ms (Link to these results)