A0A5K4F6P6_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F6P6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 167 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
1M45.3Very low51.4Low242 Ų242124.7 Ų124.7100%1.19265%0.647SS**  0112.20-79.1178.8172.800107L3M1-L3 PolarHBondContact O-N 3.33Å
2D51.1Low50.9Low116 Ų116121.8 Ų121.862%0.6263%0.632SS**  trans-59.7118.6-168.4-63.4-72.3000113.1S4 R5D2-S4 PolarHBondContact O-N 3.15Å; D2-S4 VanDerWaalsContact O-N 3.07Å; D2-R5 PolarHBondContact O-N 3.33Å
3L51.7Low50.8Low151 Ų151116.5 Ų116.579%0.79161%0.612SS**Hα-helixtrans-54.8-26.2176.2-169.764.2000112.2M1 S6 S7M1-L3 PolarHBondContact O-N 3.33Å; L3-S6 PolarHBondContact O-N 3.47Å; L3-S7 PolarHBondContact O-N 3.4Å
4S54.5Low50.5Low84 Ų84112.1 Ų112.159%0.58759%0.589SS**Hα-helixtrans-65.1-36.2176.765.70000113.3D2 S7 L8D2-S4 PolarHBondContact O-N 3.15Å; D2-S4 VanDerWaalsContact O-N 3.07Å; S4-S7 PolarHBondContact O-N 3.03Å; S4-L8 PolarHBondContact O-N 3.32Å
5R51.5Low50.2Low187 Ų187113.3 Ų113.371%0.70659%0.588SS**Hα-helixtrans-70.6-39.6178.5-79.6-176.3126179-0.7111.6D2 S7 L8 L9D2-R5 PolarHBondContact O-N 3.33Å; R5-S7 VanDerWaalsContact C-N 3.32Å; R5-S7 PolarHBondContact O-N 3.2Å; R5-L8 PolarHBondContact O-N 3.17Å; R5-L9 WeakPolarHBondContact O-CB 3.03Å; R5-L9 WeakPolarHBondContact O-CG 3.5Å; R5-L9 PolarHBondContact O-N 3.37Å
6S51Low49.8Very low75 Ų75113.2 Ų113.252%0.52459%0.587SS.*Hα-helixtrans-62-40.8174.6-87.30000111.9L3 L9 F10L3-S6 PolarHBondContact O-N 3.47Å; S6-L9 PolarHBondContact O-N 2.82Å; S6-F10 WeakPolarHBondContact O-CB 3.23Å; S6-F10 PolarHBondContact O-N 3.22Å
7S54Low49.3Very low68 Ų68114.2 Ų114.248%0.47659%0.587SS.*Hα-helixtrans-64.4-44.7176.6-166.20000111.7L3 S4 R5 L9 F10 I11L3-S7 PolarHBondContact O-N 3.4Å; S4-S7 PolarHBondContact O-N 3.03Å; R5-S7 VanDerWaalsContact C-N 3.32Å; R5-S7 PolarHBondContact O-N 3.2Å; S7-L9 PolarHBondContact O-N 3.49Å; S7-F10 PolarHBondContact O-N 2.88Å; S7-I11 WeakPolarHBondContact O-CD1 3.44Å; S7-I11 VanDerWaalsContact O-CG1 3.22Å; S7-I11 WeakPolarHBondContact O-CG1 3.17Å; S7-I11 PolarHBondContact O-N 2.85Å
8L52Low49.1Very low107 Ų107109.4 Ų109.456%0.5656%0.563SS**Hα-helixtrans-65.6-40.2178.6-157.578.3000112.3S4 R5 F10 I11 L12S4-L8 PolarHBondContact O-N 3.32Å; R5-L8 PolarHBondContact O-N 3.17Å; L8-F10 VanDerWaalsContact C-N 3.35Å; L8-I11 PolarHBondContact O-N 3.21Å; L8-L12 HydrophobicContact CD2-CD1 4.32Å; L8-L12 HydrophobicContact CG-CD1 3.96Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 WeakPolarHBondContact O-CD1 3.39Å; L8-L12 PolarHBondContact O-N 3.4Å
9L49.9Very low48.5Very low121 Ų121106.1 Ų106.163%0.63456%0.559SS**Hα-helixtrans-66.5-36.3174.6-72.9174000111.9R5 S6 S7 S13R5-L9 WeakPolarHBondContact O-CB 3.03Å; R5-L9 WeakPolarHBondContact O-CG 3.5Å; R5-L9 PolarHBondContact O-N 3.37Å; S6-L9 PolarHBondContact O-N 2.82Å; S7-L9 PolarHBondContact O-N 3.49Å; L9-S13 WeakPolarHBondContact O-CB 3.39Å; L9-S13 PolarHBondContact O-N 3.11Å
10F53Low47.9Very low145 Ų145110.8 Ų110.864%0.63657%0.57SS**Hα-helixtrans-63.7-45.6172.2-115.1-86.8000111S6 S7 L8 S13 L14S6-F10 WeakPolarHBondContact O-CB 3.23Å; S6-F10 PolarHBondContact O-N 3.22Å; S7-F10 PolarHBondContact O-N 2.88Å; L8-F10 VanDerWaalsContact C-N 3.35Å; F10-S13 PolarHBondContact O-N 2.95Å; F10-L14 VanDerWaalsContact O-CB 3.32Å; F10-L14 WeakPolarHBondContact O-CB 3.24Å; F10-L14 PolarHBondContact O-N 3.15Å
11I51.3Low47.6Very low76 Ų76108 Ų10839%0.3956%0.558SS.*Hα-helixtrans-61.9-48.3177.7-67.5163000110.4S7 L8 L14 F15S7-I11 WeakPolarHBondContact O-CD1 3.44Å; S7-I11 VanDerWaalsContact O-CG1 3.22Å; S7-I11 WeakPolarHBondContact O-CG1 3.17Å; S7-I11 PolarHBondContact O-N 2.85Å; L8-I11 PolarHBondContact O-N 3.21Å; I11-L14 CarbonylContact O-C 3.59Å; I11-L14 VanDerWaalsContact O-CB 3.31Å; I11-L14 WeakPolarHBondContact O-CB 3.28Å; I11-L14 PolarHBondContact O-N 3.16Å; I11-F15 HydrophobicContact CG2-CD2 3.65Å; I11-F15 HydrophobicContact CG2-CE2 3.44Å; I11-F15 VanDerWaalsContact CG2-CE2 3.44Å; I11-F15 WeakPolarHBondContact O-CD2 3.39Å; I11-F15 PolarHBondContact O-N 3.05Å
12L45.3Very low47.3Very low89 Ų89104.6 Ų104.647%0.46654%0.536SS..Hα-helixtrans-64.9-43.5177.1-100.4112.5000112.4L8 L14 F15 I16L8-L12 HydrophobicContact CD2-CD1 4.32Å; L8-L12 HydrophobicContact CG-CD1 3.96Å; L8-L12 WeakPolarHBondContact O-CB 3.4Å; L8-L12 WeakPolarHBondContact O-CD1 3.39Å; L8-L12 PolarHBondContact O-N 3.4Å; L12-L14 VanDerWaalsContact C-N 3.26Å; L12-L14 PolarHBondContact O-N 3.2Å; L12-F15 CarbonylContact O-C 3.55Å; L12-F15 WeakPolarHBondContact O-CB 3.49Å; L12-F15 PolarHBondContact O-N 3.34Å; L12-F15 VanDerWaalsContact O-N 3.1Å; L12-I16 VanDerWaalsContact O-CG1 3.24Å; L12-I16 WeakPolarHBondContact O-CG1 3.44Å; L12-I16 PolarHBondContact O-N 3.04Å
13S50Low46.9Very low54 Ų54100.7 Ų100.738%0.37852%0.518SS..Hα-helixtrans-62.3-37.6175.5-171.90000110.8L9 F10 I16 H17L9-S13 WeakPolarHBondContact O-CB 3.39Å; L9-S13 PolarHBondContact O-N 3.11Å; F10-S13 PolarHBondContact O-N 2.95Å; S13-I16 PolarHBondContact O-N 3.29Å; S13-H17 WeakPolarHBondContact O-CB 3.44Å; S13-H17 PolarHBondContact O-N 3.49Å; S13-H17 PolarHBondContact O-ND1 3.05Å; S13-H17 PolarHBondContact OG-ND1 3.01Å
14L46.1Very low46.6Very low54 Ų54101.1 Ų101.128%0.28352%0.516SS..Hα-helixtrans-60.1-50.6169.5-125.472.3000109.9F10 I11 L12 I16 H17 I18 Y63F10-L14 VanDerWaalsContact O-CB 3.32Å; F10-L14 WeakPolarHBondContact O-CB 3.24Å; F10-L14 PolarHBondContact O-N 3.15Å; I11-L14 CarbonylContact O-C 3.59Å; I11-L14 VanDerWaalsContact O-CB 3.31Å; I11-L14 WeakPolarHBondContact O-CB 3.28Å; I11-L14 PolarHBondContact O-N 3.16Å; L12-L14 VanDerWaalsContact C-N 3.26Å; L12-L14 PolarHBondContact O-N 3.2Å; L14-I16 VanDerWaalsContact C-N 3.29Å; L14-I16 PolarHBondContact O-N 3.07Å; L14-H17 PolarHBondContact O-N 3.41Å; L14-I18 HydrophobicContact CB-CD1 4.02Å; L14-I18 HydrophobicContact CD2-CD1 4.21Å; L14-I18 HydrophobicContact CG-CD1 3.97Å; L14-I18 WeakPolarHBondContact O-CA 3.29Å; L14-I18 WeakPolarHBondContact O-CB 3.27Å; L14-I18 WeakPolarHBondContact O-CD1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 3.25Å; L14-Y63 HydrophobicContact CD2-CE1 4.3Å
15F46.1Very low46.6Very low131 Ų13199 Ų9958%0.57550%0.501SS*.Hα-helixtrans-59.8-36.5177.4-83.5-70.9000113.1I11 L12 G19I11-F15 HydrophobicContact CG2-CD2 3.65Å; I11-F15 HydrophobicContact CG2-CE2 3.44Å; I11-F15 VanDerWaalsContact CG2-CE2 3.44Å; I11-F15 WeakPolarHBondContact O-CD2 3.39Å; I11-F15 PolarHBondContact O-N 3.05Å; L12-F15 CarbonylContact O-C 3.55Å; L12-F15 WeakPolarHBondContact O-CB 3.49Å; L12-F15 PolarHBondContact O-N 3.34Å; L12-F15 VanDerWaalsContact O-N 3.1Å; F15-G19 WeakPolarHBondContact O-CA 3.38Å; F15-G19 PolarHBondContact O-N 2.88Å
16I43.4Very low46.9Very low111 Ų11197.3 Ų97.357%0.56951%0.506SS*.Hα-helixtrans-70.8-45.5177.9-65.5166.3000110.1L12 S13 L14 G19 Y20L12-I16 VanDerWaalsContact O-CG1 3.24Å; L12-I16 WeakPolarHBondContact O-CG1 3.44Å; L12-I16 PolarHBondContact O-N 3.04Å; S13-I16 PolarHBondContact O-N 3.29Å; L14-I16 VanDerWaalsContact C-N 3.29Å; L14-I16 PolarHBondContact O-N 3.07Å; I16-G19 PolarHBondContact O-N 2.9Å; I16-Y20 VanDerWaalsContact O-CB 3.28Å; I16-Y20 WeakPolarHBondContact O-CB 3.33Å; I16-Y20 PolarHBondContact O-N 3.44Å
17H42.5Very low47.7Very low130 Ų13094.6 Ų94.660%0.60249%0.487SS*.Hα-helixtrans-66.2-42.2175.6-76.973.1000111.5S13 L14 Y20 V21S13-H17 WeakPolarHBondContact O-CB 3.44Å; S13-H17 PolarHBondContact O-N 3.49Å; S13-H17 PolarHBondContact O-ND1 3.05Å; S13-H17 PolarHBondContact OG-ND1 3.01Å; L14-H17 PolarHBondContact O-N 3.41Å; H17-Y20 PolarHBondContact O-N 2.76Å; H17-V21 WeakPolarHBondContact O-CG2 3.27Å; H17-V21 PolarHBondContact O-N 2.98Å; H17-V21 VanDerWaalsContact O-N 3.16Å
18I45.2Very low48.5Very low28 Ų2894.6 Ų94.614%0.14448%0.484CS..Hα-helixtrans-60.8-47.7175.1-68.3160.6000109.1L14 Y20 V21 Y63 L67 R71L14-I18 HydrophobicContact CB-CD1 4.02Å; L14-I18 HydrophobicContact CD2-CD1 4.21Å; L14-I18 HydrophobicContact CG-CD1 3.97Å; L14-I18 WeakPolarHBondContact O-CA 3.29Å; L14-I18 WeakPolarHBondContact O-CB 3.27Å; L14-I18 WeakPolarHBondContact O-CD1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 3.25Å; I18-Y20 VanDerWaalsContact C-N 3.3Å; I18-Y20 PolarHBondContact O-N 2.93Å; I18-V21 PolarHBondContact O-N 3.37Å; I18-Y63 HydrophobicContact CD1-CE1 4.35Å; I18-L67 HydrophobicContact CD1-CD1 3.71Å; I18-L67 HydrophobicContact CG1-CD1 4.01Å; I18-L67 HydrophobicContact CG2-CD1 4.02Å; I18-R71 PolarHBondContact O-NH2 3.06Å
19G37Very low49.3Very low47 Ų4794.3 Ų94.349%0.48548%0.483SS..Hα-helixtrans-61.5-35.517700000113.1F15 I16F15-G19 WeakPolarHBondContact O-CA 3.38Å; F15-G19 PolarHBondContact O-N 2.88Å; I16-G19 PolarHBondContact O-N 2.9Å
20Y37.5Very low50.6Low199 Ų19996.2 Ų96.278%0.7849%0.493SS*.Hα-helixtrans-83.9-13.3-175.5-155.3-94.6000114.4I16 H17 I18 K22I16-Y20 VanDerWaalsContact O-CB 3.28Å; I16-Y20 WeakPolarHBondContact O-CB 3.33Å; I16-Y20 PolarHBondContact O-N 3.44Å; H17-Y20 PolarHBondContact O-N 2.76Å; I18-Y20 VanDerWaalsContact C-N 3.3Å; I18-Y20 PolarHBondContact O-N 2.93Å; Y20-K22 PolarHBondContact O-N 3.02Å
21V40.3Very low51.8Low52 Ų5292.4 Ų92.432%0.31548%0.48SS..  trans-69.992.6165-163.40000107.5H17 I18 S23 R71H17-V21 WeakPolarHBondContact O-CG2 3.27Å; H17-V21 PolarHBondContact O-N 2.98Å; H17-V21 VanDerWaalsContact O-N 3.16Å; I18-V21 PolarHBondContact O-N 3.37Å; V21-S23 PolarHBondContact O-N 3.31Å; V21-R71 PolarHBondContact O-NH1 2.9Å
22K39.6Very low53Low171 Ų17189.4 Ų89.474%0.74346%0.464SS*.  trans-60.277.3165.8-168.8176-172.4174.60106.1Y20 Q24Y20-K22 PolarHBondContact O-N 3.02Å; K22-Q24 HydrophobicContact CG-CG 4.23Å; K22-Q24 PolarHBondContact O-N 2.92Å
23S44Very low54.6Low34 Ų3492.1 Ų92.124%0.23847%0.473CS..  trans-61.591.6167.1176.20000105V21 S25 E39V21-S23 PolarHBondContact O-N 3.31Å; S23-S25 PolarHBondContact O-N 2.73Å; S23-S25 WeakPolarHBondContact OG-CB 3.43Å; S23-S25 PolarHBondContact OG-N 3.47Å; S23-S25 PolarHBondContact OG-OG 3.42Å; S23-E39 WeakPolarHBondContact CA-OE1 3.23Å; S23-E39 WeakPolarHBondContact CB-OE1 3.43Å; S23-E39 PolarHBondContact OG-OE1 2.92Å; S23-E39 PolarHBondContact OG-OE2 2.78Å
24Q44.5Very low56.2Low161 Ų16194.9 Ų94.975%0.75248%0.483SS*.  trans-71.233.4163.9-63-178.348.100109.2K22 N26K22-Q24 HydrophobicContact CG-CG 4.23Å; K22-Q24 PolarHBondContact O-N 2.92Å; Q24-N26 PolarHBondContact O-N 3.45Å
25S54.2Low57.9Low38 Ų3893.6 Ų93.627%0.26648%0.479SS..  trans-76.7115.4-177.768.10000106.4S23 C27 E39S23-S25 PolarHBondContact O-N 2.73Å; S23-S25 WeakPolarHBondContact OG-CB 3.43Å; S23-S25 PolarHBondContact OG-N 3.47Å; S23-S25 PolarHBondContact OG-OG 3.42Å; S25-C27 WeakPolarHBondContact CB-SG 3.11Å; S25-C27 PolarHBondContact O-N 2.93Å; S25-C27 PolarHBondContact OG-SG 3.31Å; S25-E39 WeakPolarHBondContact CB-OE2 3.45Å; S25-E39 PolarHBondContact OG-OE2 3.48Å
26N59.2Low59.6Low152 Ų15287.4 Ų87.481%0.81345%0.451SS*.  trans-69.536.9165.8-63.2-47.1000109.9Q24 T28Q24-N26 PolarHBondContact O-N 3.45Å; N26-T28 PolarHBondContact O-N 2.94Å
27C67.8Low61.5Low18 Ų1886.1 Ų86.112%0.12245%0.446CS..  trans-65.4130.5178.2-62.40000108.2S25 L32 C35S25-C27 WeakPolarHBondContact CB-SG 3.11Å; S25-C27 PolarHBondContact O-N 2.93Å; S25-C27 PolarHBondContact OG-SG 3.31Å; C27-L32 HydrophobicContact CB-CD1 4.49Å; C27-C35 VanDerWaalsContact CA-SG 3.52Å; C27-C35 HydrophobicContact CB-CB 3.86Å; C27-C35 WeakPolarHBondContact CB-SG 3.13Å; C27-C35 WeakPolarHBondContact SG-CB 3.34Å; C27-C35 CovalentContact SG-SG 2.03Å; C27-C35 PolarHBondContact SG-SG 2.79Å
28T69.8Low63.5Low69 Ų6985.7 Ų85.742%0.42345%0.447SS..  trans-107.9166.4172.367.50000109N26 N30 N31 L32N26-T28 PolarHBondContact O-N 2.94Å; T28-N30 PolarHBondContact O-N 2.89Å; T28-N31 WeakPolarHBondContact CA-OD1 3.44Å; T28-N31 PolarHBondContact N-OD1 3.24Å; T28-N31 PolarHBondContact O-N 3.5Å; T28-N31 PolarHBondContact O-OD1 2.71Å; T28-N31 VanDerWaalsContact O-OD1 3.05Å; T28-N31 PolarHBondContact OG1-OD1 2.9Å; T28-L32 WeakPolarHBondContact O-CA 2.98Å; T28-L32 WeakPolarHBondContact O-CB 2.99Å; T28-L32 PolarHBondContact O-N 2.86Å
29L69.3Low65.2Low101 Ų10186 Ų8653%0.52945%0.448SS..G310 helixtrans-55.4-34.9173.4-82164.9000112.6N31 L73L29-N31 VanDerWaalsContact C-N 3.34Å; L29-N31 PolarHBondContact O-N 2.72Å; L29-L73 HydrophobicContact CD2-CD2 4.45Å
30N76.7Confident67.2Low160 Ų16083.9 Ų83.986%0.85643%0.425SS*.G310 helixtrans-72.5-27.9-173.3-62.5-18.2000113.1T28T28-N30 PolarHBondContact O-N 2.89Å
31N79.2Confident69.4Low66 Ų6679.9 Ų79.935%0.35341%0.412SS..G310 helixtrans-119.918.7179.466.4-5.1000112.3T28 L29 F33 D34 C35T28-N31 WeakPolarHBondContact CA-OD1 3.44Å; T28-N31 PolarHBondContact N-OD1 3.24Å; T28-N31 PolarHBondContact O-N 3.5Å; T28-N31 PolarHBondContact O-OD1 2.71Å; T28-N31 VanDerWaalsContact O-OD1 3.05Å; T28-N31 PolarHBondContact OG1-OD1 2.9Å; L29-N31 VanDerWaalsContact C-N 3.34Å; L29-N31 PolarHBondContact O-N 2.72Å; N31-F33 VanDerWaalsContact C-N 3.32Å; N31-F33 PolarHBondContact O-N 3.16Å; N31-D34 PolarHBondContact O-N 3.46Å; N31-C35 WeakPolarHBondContact O-CB 3.21Å; N31-C35 PolarHBondContact O-N 3.17Å
32L75.7Confident71.4Confident12 Ų1284.7 Ų84.76%0.06343%0.429CS..Hα-helixtrans-57.9-45.2-173.4-179.861.8000111.9C27 T28 C36 T72C27-L32 HydrophobicContact CB-CD1 4.49Å; T28-L32 WeakPolarHBondContact O-CA 2.98Å; T28-L32 WeakPolarHBondContact O-CB 2.99Å; T28-L32 PolarHBondContact O-N 2.86Å; L32-C36 VanDerWaalsContact O-CB 3.24Å; L32-C36 WeakPolarHBondContact O-CB 3.43Å; L32-C36 PolarHBondContact O-N 2.72Å; L32-T72 HydrophobicContact CD1-CG2 3.54Å
33F79.5Confident73.2Confident146 Ų14678.3 Ų78.364%0.6440%0.401SS*.Hα-helixtrans-62.2-50.6-178.2-77-81.4000112N31 N37N31-F33 VanDerWaalsContact C-N 3.32Å; N31-F33 PolarHBondContact O-N 3.16Å; F33-N37 VanDerWaalsContact O-CB 3.23Å; F33-N37 WeakPolarHBondContact O-CB 3.45Å; F33-N37 PolarHBondContact O-N 3.33Å
34D83Confident74.8Confident112 Ų11276.7 Ų76.760%0.59939%0.39SS*.Hα-helixtrans-67.4-43.8-179.1-62.5-34.4000111.7N31 N37 I38N31-D34 PolarHBondContact O-N 3.46Å; D34-N37 PolarHBondContact O-N 3.35Å; D34-I38 VanDerWaalsContact O-CG1 3.3Å; D34-I38 WeakPolarHBondContact O-CG1 3.09Å; D34-I38 PolarHBondContact O-N 2.67Å
35C81.5Confident76.6Confident28 Ų2872.4 Ų72.419%0.18937%0.373CS..Hα-helixtrans-61.9-49.8-179.7-169.60000111.1C27 N31 N37 I38 E39C27-C35 VanDerWaalsContact CA-SG 3.52Å; C27-C35 HydrophobicContact CB-CB 3.86Å; C27-C35 WeakPolarHBondContact CB-SG 3.13Å; C27-C35 WeakPolarHBondContact SG-CB 3.34Å; C27-C35 CovalentContact SG-SG 2.03Å; C27-C35 PolarHBondContact SG-SG 2.79Å; N31-C35 WeakPolarHBondContact O-CB 3.21Å; N31-C35 PolarHBondContact O-N 3.17Å; C35-N37 VanDerWaalsContact C-N 3.34Å; C35-N37 PolarHBondContact O-N 2.7Å; C35-I38 PolarHBondContact O-N 2.75Å; C35-E39 WeakPolarHBondContact O-CB 3.38Å; C35-E39 PolarHBondContact O-N 3.47Å
36C82.5Confident77.8Confident0 Ų075.3 Ų75.30%039%0.385CS..Hα-helixtrans-68.8-29.8177.3-77.30000113.2L32 G40 T65 C68 K69L32-C36 VanDerWaalsContact O-CB 3.24Å; L32-C36 WeakPolarHBondContact O-CB 3.43Å; L32-C36 PolarHBondContact O-N 2.72Å; C36-G40 VanDerWaalsContact O-CA 3.29Å; C36-G40 WeakPolarHBondContact O-CA 3.16Å; C36-G40 PolarHBondContact O-N 3.05Å; C36-T65 HydrophobicContact CB-CG2 4.34Å; C36-C68 WeakPolarHBondContact CA-SG 3.37Å; C36-C68 HydrophobicContact CB-CB 3.65Å; C36-C68 WeakPolarHBondContact CB-SG 3.41Å; C36-C68 WeakPolarHBondContact SG-CB 3.36Å; C36-C68 CovalentContact SG-SG 2.05Å; C36-C68 PolarHBondContact SG-SG 3.38Å; C36-K69 HydrophobicContact CB-CG 4.27Å; C36-K69 PolarHBondContact SG-N 3.17Å
37N83.5Confident78.6Confident84 Ų8470.9 Ų70.945%0.44936%0.358SS..Hα-helixtrans-68.2-43.5174.8-172.148.3000111.3F33 D34 C35 K41F33-N37 VanDerWaalsContact O-CB 3.23Å; F33-N37 WeakPolarHBondContact O-CB 3.45Å; F33-N37 PolarHBondContact O-N 3.33Å; D34-N37 PolarHBondContact O-N 3.35Å; C35-N37 VanDerWaalsContact C-N 3.34Å; C35-N37 PolarHBondContact O-N 2.7Å; N37-K41 VanDerWaalsContact O-CB 3.24Å; N37-K41 WeakPolarHBondContact O-CB 3.46Å; N37-K41 PolarHBondContact O-N 3.45Å
38I83.9Confident79Confident122 Ų12271.8 Ų71.863%0.62636%0.362SS*.Hα-helixtrans-65.2-48.6176.6-67.4163.7000110.6D34 C35 K42D34-I38 VanDerWaalsContact O-CG1 3.3Å; D34-I38 WeakPolarHBondContact O-CG1 3.09Å; D34-I38 PolarHBondContact O-N 2.67Å; C35-I38 PolarHBondContact O-N 2.75Å; I38-K42 PolarHBondContact O-N 3.03Å; I38-K42 VanDerWaalsContact O-N 3.07Å
39E80.5Confident79.3Confident35 Ų3576.2 Ų76.216%0.16438%0.378CS..Hα-helixtrans-68.4-45.8-179.3-173.8173.4-173.500111.7S23 S25 C35 K41 K42 Q43S23-E39 WeakPolarHBondContact CA-OE1 3.23Å; S23-E39 WeakPolarHBondContact CB-OE1 3.43Å; S23-E39 PolarHBondContact OG-OE1 2.92Å; S23-E39 PolarHBondContact OG-OE2 2.78Å; S25-E39 WeakPolarHBondContact CB-OE2 3.45Å; S25-E39 PolarHBondContact OG-OE2 3.48Å; C35-E39 WeakPolarHBondContact O-CB 3.38Å; C35-E39 PolarHBondContact O-N 3.47Å; E39-K41 VanDerWaalsContact C-N 3.27Å; E39-K41 PolarHBondContact O-N 3.48Å; E39-K42 WeakPolarHBondContact O-CB 3.39Å; E39-K42 PolarHBondContact O-N 3.41Å; E39-Q43 HydrophobicContact CG-CG 4.34Å; E39-Q43 WeakPolarHBondContact O-CG 3.44Å; E39-Q43 PolarHBondContact O-N 2.03Å
40G79.8Confident79.3Confident1 Ų177.8 Ų77.81%0.0139%0.387CS..Hα-helixtrans-56.8-42.6177.900000111.6C36 Q43 A44 F64C36-G40 VanDerWaalsContact O-CA 3.29Å; C36-G40 WeakPolarHBondContact O-CA 3.16Å; C36-G40 PolarHBondContact O-N 3.05Å; G40-Q43 PolarHBondContact O-N 3.45Å; G40-A44 VanDerWaalsContact O-CB 3.27Å; G40-A44 WeakPolarHBondContact O-CB 3.01Å; G40-A44 PolarHBondContact O-N 2.97Å; G40-F64 WeakPolarHBondContact O-CB 3.07Å
41K83.7Confident78.9Confident116 Ų11673.7 Ų73.750%0.50436%0.362SS..Hα-helixtrans-61.6-46.5172.6-173.4176.8179179.90112.3N37 E39 Q43 A44 D45 V61N37-K41 VanDerWaalsContact O-CB 3.24Å; N37-K41 WeakPolarHBondContact O-CB 3.46Å; N37-K41 PolarHBondContact O-N 3.45Å; E39-K41 VanDerWaalsContact C-N 3.27Å; E39-K41 PolarHBondContact O-N 3.48Å; K41-Q43 VanDerWaalsContact C-N 3.33Å; K41-Q43 PolarHBondContact O-N 2.78Å; K41-A44 WeakPolarHBondContact O-CB 3.05Å; K41-A44 PolarHBondContact O-N 2.05Å; K41-D45 VanDerWaalsContact O-CG 3.28Å; K41-D45 PolarHBondContact O-N 3.47Å; K41-V61 HydrophobicContact CB-CG1 4.24Å; K41-V61 HydrophobicContact CG-CG2 4.48Å
42K82.5Confident78.2Confident153 Ų15374.7 Ų74.767%0.66537%0.373SS*.Hα-helixtrans-60.6-40.8178-173.9178.7178.6-179.60112.5I38 E39 N46I38-K42 PolarHBondContact O-N 3.03Å; I38-K42 VanDerWaalsContact O-N 3.07Å; E39-K42 WeakPolarHBondContact O-CB 3.39Å; E39-K42 PolarHBondContact O-N 3.41Å; K42-N46 PolarHBondContact O-N 2.91Å
43Q76.4Confident77.7Confident36 Ų3681.3 Ų81.317%0.16841%0.414CS..Hα-helixtrans-68.4-41.1175.7-58.4-52.5-10.500111.8E39 G40 K41 N46 F47 F64E39-Q43 HydrophobicContact CG-CG 4.34Å; E39-Q43 WeakPolarHBondContact O-CG 3.44Å; E39-Q43 PolarHBondContact O-N 2.03Å; G40-Q43 PolarHBondContact O-N 3.45Å; K41-Q43 VanDerWaalsContact C-N 3.33Å; K41-Q43 PolarHBondContact O-N 2.78Å; Q43-N46 PolarHBondContact O-N 3.39Å; Q43-F47 WeakPolarHBondContact O-CB 3.24Å; Q43-F47 PolarHBondContact O-N 3.1Å; Q43-F64 HydrophobicContact CB-CB 4.3Å; Q43-F64 HydrophobicContact CB-CD1 3.71Å; Q43-F64 HydrophobicContact CB-CD2 4.47Å; Q43-F64 HydrophobicContact CB-CE1 4.11Å; Q43-F64 HydrophobicContact CB-CG 3.92Å; Q43-F64 HydrophobicContact CG-CD1 4.48Å
44A78.7Confident77.1Confident0 Ų078.2 Ų78.20%042%0.423CS..Hα-helixtrans-61.9-44.5176.800000111.8G40 K41 N46 F47 L48 V60 V61 F64G40-A44 VanDerWaalsContact O-CB 3.27Å; G40-A44 WeakPolarHBondContact O-CB 3.01Å; G40-A44 PolarHBondContact O-N 2.97Å; K41-A44 WeakPolarHBondContact O-CB 3.05Å; K41-A44 PolarHBondContact O-N 2.05Å; A44-N46 PolarHBondContact O-N 2.9Å; A44-F47 WeakPolarHBondContact O-CB 3.24Å; A44-F47 PolarHBondContact O-N 3.46Å; A44-L48 WeakPolarHBondContact O-CB 3.43Å; A44-L48 VanDerWaalsContact O-CG 3.23Å; A44-L48 WeakPolarHBondContact O-CG 3.28Å; A44-L48 PolarHBondContact O-N 3.02Å; A44-V60 HydrophobicContact CB-CG1 3.85Å; A44-V61 HydrophobicContact CB-CB 4.18Å; A44-V61 HydrophobicContact CB-CG2 3.53Å; A44-F64 HydrophobicContact CB-CD2 3.81Å; A44-F64 HydrophobicContact CB-CE2 4.44Å
45D80.8Confident76.5Confident72 Ų7276.1 Ų76.139%0.38541%0.411SS..Hα-helixtrans-61.8-43.8177.6-70.2-22.5000111K41 F47 L48 Q49K41-D45 VanDerWaalsContact O-CG 3.28Å; K41-D45 PolarHBondContact O-N 3.47Å; D45-F47 VanDerWaalsContact C-N 3.35Å; D45-F47 PolarHBondContact O-N 3.22Å; D45-L48 PolarHBondContact O-N 3.38Å; D45-Q49 WeakPolarHBondContact O-CG 3.44Å; D45-Q49 PolarHBondContact O-N 3.34Å
46N79.2Confident76.3Confident98 Ų9878.8 Ų78.852%0.52442%0.424SS..Hα-helixtrans-63.6-40175.5-171.65.6000112.2K42 Q43 A44K42-N46 PolarHBondContact O-N 2.91Å; Q43-N46 PolarHBondContact O-N 3.39Å; A44-N46 PolarHBondContact O-N 2.9Å
47F76Confident76.1Confident59 Ų5982.4 Ų82.426%0.25945%0.446SS..Hα-helixtrans-63.8-45.8174.8-179.7-99.3000111.1Q43 A44 D45 Q49 N50 Q51 L55 V60 F64Q43-F47 WeakPolarHBondContact O-CB 3.24Å; Q43-F47 PolarHBondContact O-N 3.1Å; A44-F47 WeakPolarHBondContact O-CB 3.24Å; A44-F47 PolarHBondContact O-N 3.46Å; D45-F47 VanDerWaalsContact C-N 3.35Å; D45-F47 PolarHBondContact O-N 3.22Å; F47-Q49 VanDerWaalsContact C-N 3.32Å; F47-Q49 PolarHBondContact O-N 2.84Å; F47-N50 PolarHBondContact O-N 3.47Å; F47-Q51 HydrophobicContact CD1-CG 3.92Å; F47-Q51 HydrophobicContact CE1-CG 3.77Å; F47-Q51 HydrophobicContact CE2-CG 4.37Å; F47-Q51 HydrophobicContact CG-CG 4.33Å; F47-Q51 HydrophobicContact CZ-CG 4.02Å; F47-Q51 WeakPolarHBondContact O-CG 3.34Å; F47-L55 HydrophobicContact CE1-CD2 3.91Å; F47-V60 HydrophobicContact CD1-CG1 3.77Å; F47-V60 HydrophobicContact CE1-CG1 4.31Å; F47-F64 HydrophobicContact CB-CE2 3.79Å; F47-F64 HydrophobicContact CB-CZ 3.92Å; F47-F64 HydrophobicContact CD1-CE2 4.25Å; F47-F64 HydrophobicContact CD2-CZ 4.16Å; F47-F64 AromaticContact CG-CE2 3.95Å; F47-F64 HydrophobicContact CG-CE2 3.95Å; F47-F64 HydrophobicContact CG-CZ 4.03Å
48L76Confident75.9Confident37 Ų3783.6 Ų83.619%0.19445%0.449CS..Hα-helixtrans-67.8-28.4-177.7-71.7167.5000113.4A44 D45 N50 Q51 L55 T57 V60A44-L48 WeakPolarHBondContact O-CB 3.43Å; A44-L48 VanDerWaalsContact O-CG 3.23Å; A44-L48 WeakPolarHBondContact O-CG 3.28Å; A44-L48 PolarHBondContact O-N 3.02Å; D45-L48 PolarHBondContact O-N 3.38Å; L48-N50 PolarHBondContact O-N 3.48Å; L48-N50 VanDerWaalsContact O-N 3.15Å; L48-Q51 PolarHBondContact O-N 2.91Å; L48-L55 HydrophobicContact CD2-CB 3.94Å; L48-L55 HydrophobicContact CD2-CD2 4.33Å; L48-T57 HydrophobicContact CD1-CG2 3.59Å; L48-V60 HydrophobicContact CD2-CG2 4.18Å; L48-V60 HydrophobicContact CG-CG1 4.36Å
49Q75.9Confident75.8Confident162 Ų16284 Ų8476%0.75745%0.449SS*.Hα-helixtrans-55.6-29.8175.7-74.7-94.7-15.600113.2D45 F47D45-Q49 WeakPolarHBondContact O-CG 3.44Å; D45-Q49 PolarHBondContact O-N 3.34Å; F47-Q49 VanDerWaalsContact C-N 3.32Å; F47-Q49 PolarHBondContact O-N 2.84Å
50N70.1Confident75.7Confident135 Ų13583.2 Ų83.272%0.72245%0.446SS*.THydrogen-bonded Turntrans-108.39.5-176.1-63-47.8000113.6F47 L48F47-N50 PolarHBondContact O-N 3.47Å; L48-N50 PolarHBondContact O-N 3.48Å; L48-N50 VanDerWaalsContact O-N 3.15Å
51Q67.8Low75.8Confident73 Ų7383.6 Ų83.634%0.34145%0.448SS..SBendtrans-114.8157.2-169.6-70.2-72.325.800112.8F47 L48F47-Q51 HydrophobicContact CD1-CG 3.92Å; F47-Q51 HydrophobicContact CE1-CG 3.77Å; F47-Q51 HydrophobicContact CE2-CG 4.37Å; F47-Q51 HydrophobicContact CG-CG 4.33Å; F47-Q51 HydrophobicContact CZ-CG 4.02Å; F47-Q51 WeakPolarHBondContact O-CG 3.34Å; L48-Q51 PolarHBondContact O-N 2.91Å
52P66Low75.6Confident88 Ų8881.6 Ų81.657%0.57144%0.443SS*.  trans-63.4143-178.923.4-31.7000111.9G54 L55P52-G54 PolarHBondContact O-N 3.35Å; P52-L55 HydrophobicContact CG-CD1 4.02Å; P52-L55 WeakPolarHBondContact O-CD1 3.49Å
53T64.8Low75.5Confident151 Ų15179.1 Ų79.193%0.92643%0.43SS*.THydrogen-bonded Turntrans-56.9126169.346.60000110
54G67.5Low75.6Confident81 Ų8178.9 Ų78.984%0.83543%0.428SS*.THydrogen-bonded Turntrans130.1-12.4179.600000114.5P52P52-G54 PolarHBondContact O-N 3.35Å
55L69Low75.6Confident67 Ų6779.3 Ų79.335%0.35143%0.431SS..  trans-68.1137.4170.4-86.178.7000110.6F47 L48 P52 T57 V60F47-L55 HydrophobicContact CE1-CD2 3.91Å; L48-L55 HydrophobicContact CD2-CB 3.94Å; L48-L55 HydrophobicContact CD2-CD2 4.33Å; P52-L55 HydrophobicContact CG-CD1 4.02Å; P52-L55 WeakPolarHBondContact O-CD1 3.49Å; L55-T57 PolarHBondContact O-N 3.07Å; L55-T57 VanDerWaalsContact O-N 3.11Å; L55-V60 HydrophobicContact CB-CG2 4.47Å; L55-V60 HydrophobicContact CD2-CG2 3.96Å
56N78.6Confident75.5Confident84 Ų8480 Ų8045%0.44944%0.435SS..  trans-72.9103.5171-176-41.6000109.3Q58 Q59 V60N56-Q58 PolarHBondContact O-N 3.32Å; N56-Q58 VanDerWaalsContact O-N 3.15Å; N56-Q58 WeakPolarHBondContact OD1-CB 3.44Å; N56-Q58 PolarHBondContact OD1-N 2.79Å; N56-Q59 HydrophobicContact CB-CB 4.12Å; N56-Q59 HydrophobicContact CB-CG 3.98Å; N56-Q59 PolarHBondContact O-N 3.02Å; N56-Q59 PolarHBondContact OD1-N 2.89Å; N56-Q59 VanDerWaalsContact OD1-N 3.16Å; N56-V60 PolarHBondContact O-N 3.28Å
57T76.5Confident75.3Confident76 Ų7677.5 Ų77.547%0.46642%0.421SS..Hα-helixtrans-48.8-42179.3-57.40000112.6L48 L55 Q59 V60 V61L48-T57 HydrophobicContact CD1-CG2 3.59Å; L55-T57 PolarHBondContact O-N 3.07Å; L55-T57 VanDerWaalsContact O-N 3.11Å; T57-Q59 PolarHBondContact O-N 3.4Å; T57-V60 PolarHBondContact O-N 3.4Å; T57-V61 HydrophobicContact CG2-CG2 4.38Å; T57-V61 VanDerWaalsContact O-CG2 3.28Å; T57-V61 WeakPolarHBondContact O-CG2 3.32Å; T57-V61 PolarHBondContact O-N 3.27Å
58Q80.9Confident75.4Confident109 Ų10975.4 Ų75.451%0.50941%0.413SS..Hα-helixtrans-68.1-38.1-177.8-169.160.547.500112.3N56 V60 V61 N62N56-Q58 PolarHBondContact O-N 3.32Å; N56-Q58 VanDerWaalsContact O-N 3.15Å; N56-Q58 WeakPolarHBondContact OD1-CB 3.44Å; N56-Q58 PolarHBondContact OD1-N 2.79Å; Q58-V60 VanDerWaalsContact C-N 3.31Å; Q58-V60 PolarHBondContact O-N 2.76Å; Q58-V61 PolarHBondContact O-N 3.43Å; Q58-N62 PolarHBondContact NE2-OD1 3.24Å; Q58-N62 WeakPolarHBondContact O-CB 3.45Å; Q58-N62 PolarHBondContact O-N 3.33Å; Q58-N62 PolarHBondContact O-OD1 3.1Å
59Q81.2Confident75.3Confident132 Ų13276.2 Ų76.262%0.61742%0.416SS*.Hα-helixtrans-63.7-40.3175.7-71.7-177-40.100111.3N56 T57 N62 Y63N56-Q59 HydrophobicContact CB-CB 4.12Å; N56-Q59 HydrophobicContact CB-CG 3.98Å; N56-Q59 PolarHBondContact O-N 3.02Å; N56-Q59 PolarHBondContact OD1-N 2.89Å; N56-Q59 VanDerWaalsContact OD1-N 3.16Å; T57-Q59 PolarHBondContact O-N 3.4Å; Q59-N62 PolarHBondContact O-N 2.88Å; Q59-Y63 WeakPolarHBondContact O-CB 3.49Å; Q59-Y63 PolarHBondContact O-N 2.83Å
60V78.2Confident75.3Confident17 Ų1775.4 Ų75.410%0.10341%0.41CS..Hα-helixtrans-65.9-45.9177.4-179.40000110.8A44 F47 L48 L55 N56 T57 Q58 N62 Y63 F64A44-V60 HydrophobicContact CB-CG1 3.85Å; F47-V60 HydrophobicContact CD1-CG1 3.77Å; F47-V60 HydrophobicContact CE1-CG1 4.31Å; L48-V60 HydrophobicContact CD2-CG2 4.18Å; L48-V60 HydrophobicContact CG-CG1 4.36Å; L55-V60 HydrophobicContact CB-CG2 4.47Å; L55-V60 HydrophobicContact CD2-CG2 3.96Å; N56-V60 PolarHBondContact O-N 3.28Å; T57-V60 PolarHBondContact O-N 3.4Å; Q58-V60 VanDerWaalsContact C-N 3.31Å; Q58-V60 PolarHBondContact O-N 2.76Å; V60-N62 VanDerWaalsContact C-N 3.34Å; V60-N62 PolarHBondContact O-N 3.42Å; V60-Y63 WeakPolarHBondContact O-CB 3.12Å; V60-Y63 PolarHBondContact O-N 3.29Å; V60-F64 HydrophobicContact CG1-CD2 3.75Å; V60-F64 HydrophobicContact CG1-CE2 3.6Å; V60-F64 VanDerWaalsContact O-CD2 3.27Å; V60-F64 WeakPolarHBondContact O-CD2 3.22Å; V60-F64 PolarHBondContact O-N 2.81Å
61V81.4Confident75.3Confident9 Ų972 Ų726%0.05539%0.387CS..Hα-helixtrans-58.1-46.5175.5173.30000111.2K41 A44 T57 Q58 Y63 F64 T65K41-V61 HydrophobicContact CB-CG1 4.24Å; K41-V61 HydrophobicContact CG-CG2 4.48Å; A44-V61 HydrophobicContact CB-CB 4.18Å; A44-V61 HydrophobicContact CB-CG2 3.53Å; T57-V61 HydrophobicContact CG2-CG2 4.38Å; T57-V61 VanDerWaalsContact O-CG2 3.28Å; T57-V61 WeakPolarHBondContact O-CG2 3.32Å; T57-V61 PolarHBondContact O-N 3.27Å; Q58-V61 PolarHBondContact O-N 3.43Å; V61-Y63 VanDerWaalsContact C-N 3.35Å; V61-Y63 PolarHBondContact O-N 2.78Å; V61-F64 PolarHBondContact O-N 3.48Å; V61-T65 WeakPolarHBondContact O-CB 3.31Å; V61-T65 PolarHBondContact O-N 2.82Å; V61-T65 PolarHBondContact O-OG1 2.67Å
62N80.7Confident75.5Confident74 Ų7469.1 Ų69.140%0.39637%0.374SS..Hα-helixtrans-61.6-44.2178.4-69.8-4.9000111.3Q58 Q59 V60 F64 T65 D66Q58-N62 PolarHBondContact NE2-OD1 3.24Å; Q58-N62 WeakPolarHBondContact O-CB 3.45Å; Q58-N62 PolarHBondContact O-N 3.33Å; Q58-N62 PolarHBondContact O-OD1 3.1Å; Q59-N62 PolarHBondContact O-N 2.88Å; V60-N62 VanDerWaalsContact C-N 3.34Å; V60-N62 PolarHBondContact O-N 3.42Å; N62-F64 PolarHBondContact O-N 3.48Å; N62-T65 PolarHBondContact O-N 3.22Å; N62-D66 PolarHBondContact O-N 2.82Å
63Y80.8Confident75.7Confident101 Ų10169.4 Ų69.440%0.39637%0.37SS..Hα-helixtrans-57.3-50177.3176.2-103.8000112.4L14 I18 Q59 V60 V61 T65 D66 L67L14-Y63 HydrophobicContact CD2-CE1 4.3Å; I18-Y63 HydrophobicContact CD1-CE1 4.35Å; Q59-Y63 WeakPolarHBondContact O-CB 3.49Å; Q59-Y63 PolarHBondContact O-N 2.83Å; V60-Y63 WeakPolarHBondContact O-CB 3.12Å; V60-Y63 PolarHBondContact O-N 3.29Å; V61-Y63 VanDerWaalsContact C-N 3.35Å; V61-Y63 PolarHBondContact O-N 2.78Å; Y63-T65 VanDerWaalsContact C-N 3.33Å; Y63-T65 PolarHBondContact O-N 2.96Å; Y63-D66 PolarHBondContact O-N 3.47Å; Y63-L67 HydrophobicContact CD1-CD1 3.88Å; Y63-L67 HydrophobicContact CE1-CD1 3.35Å; Y63-L67 HydrophobicContact CE1-CG 4.3Å; Y63-L67 HydrophobicContact CE2-CD1 4.25Å; Y63-L67 HydrophobicContact CE2-CG 4.41Å; Y63-L67 WeakPolarHBondContact O-CG 3.49Å; Y63-L67 PolarHBondContact O-N 2.92Å
64F78.5Confident76.1Confident32 Ų3266.3 Ų66.314%0.1435%0.348CS..Hα-helixtrans-66.4-35.4177.4-78.8-72.5000112.9G40 Q43 A44 F47 V60 V61 N62 L67 C68G40-F64 WeakPolarHBondContact O-CB 3.07Å; Q43-F64 HydrophobicContact CB-CB 4.3Å; Q43-F64 HydrophobicContact CB-CD1 3.71Å; Q43-F64 HydrophobicContact CB-CD2 4.47Å; Q43-F64 HydrophobicContact CB-CE1 4.11Å; Q43-F64 HydrophobicContact CB-CG 3.92Å; Q43-F64 HydrophobicContact CG-CD1 4.48Å; A44-F64 HydrophobicContact CB-CD2 3.81Å; A44-F64 HydrophobicContact CB-CE2 4.44Å; F47-F64 HydrophobicContact CB-CE2 3.79Å; F47-F64 HydrophobicContact CB-CZ 3.92Å; F47-F64 HydrophobicContact CD1-CE2 4.25Å; F47-F64 HydrophobicContact CD2-CZ 4.16Å; F47-F64 AromaticContact CG-CE2 3.95Å; F47-F64 HydrophobicContact CG-CE2 3.95Å; F47-F64 HydrophobicContact CG-CZ 4.03Å; V60-F64 HydrophobicContact CG1-CD2 3.75Å; V60-F64 HydrophobicContact CG1-CE2 3.6Å; V60-F64 VanDerWaalsContact O-CD2 3.27Å; V60-F64 WeakPolarHBondContact O-CD2 3.22Å; V60-F64 PolarHBondContact O-N 2.81Å; V61-F64 PolarHBondContact O-N 3.48Å; N62-F64 PolarHBondContact O-N 3.48Å; F64-L67 HydrophobicContact CD1-CD1 4.41Å; F64-L67 PolarHBondContact O-N 3.06Å; F64-C68 PolarHBondContact O-N 3.44Å
65T78.9Confident76.1Confident9 Ų968.1 Ų68.16%0.05534%0.335CS..Hα-helixtrans-63.9-43.4176.6-58.60000111.3C36 V61 N62 Y63 C68 K69C36-T65 HydrophobicContact CB-CG2 4.34Å; V61-T65 WeakPolarHBondContact O-CB 3.31Å; V61-T65 PolarHBondContact O-N 2.82Å; V61-T65 PolarHBondContact O-OG1 2.67Å; N62-T65 PolarHBondContact O-N 3.22Å; Y63-T65 VanDerWaalsContact C-N 3.33Å; Y63-T65 PolarHBondContact O-N 2.96Å; T65-C68 WeakPolarHBondContact O-CB 3.5Å; T65-C68 PolarHBondContact O-N 3.45Å; T65-K69 WeakPolarHBondContact O-CG 3.21Å; T65-K69 PolarHBondContact O-N 2.85Å; T65-K69 VanDerWaalsContact O-N 3.1Å
66D78.2Confident75.9Confident86 Ų8667.3 Ų67.346%0.4633%0.329SS..Hα-helixtrans-71.6-35.3179.3-70.3-21.8000112.4N62 Y63 C68 K69 F70N62-D66 PolarHBondContact O-N 2.82Å; Y63-D66 PolarHBondContact O-N 3.47Å; D66-C68 VanDerWaalsContact C-N 3.33Å; D66-C68 PolarHBondContact O-N 3.4Å; D66-K69 PolarHBondContact O-N 2.96Å; D66-K69 IonicContact OD1-NZ 2.84Å; D66-K69 PolarHBondContact OD1-NZ 3.32Å; D66-F70 WeakPolarHBondContact O-CB 3.13Å; D66-F70 PolarHBondContact O-N 2.97Å
67L74.7Confident75.3Confident45 Ų4565.9 Ų65.924%0.23633%0.329CS..Hα-helixtrans-59.7-42.7170.1-76.3175.9000112.3I18 Y63 F64 F70 R71I18-L67 HydrophobicContact CD1-CD1 3.71Å; I18-L67 HydrophobicContact CG1-CD1 4.01Å; I18-L67 HydrophobicContact CG2-CD1 4.02Å; Y63-L67 HydrophobicContact CD1-CD1 3.88Å; Y63-L67 HydrophobicContact CE1-CD1 3.35Å; Y63-L67 HydrophobicContact CE1-CG 4.3Å; Y63-L67 HydrophobicContact CE2-CD1 4.25Å; Y63-L67 HydrophobicContact CE2-CG 4.41Å; Y63-L67 WeakPolarHBondContact O-CG 3.49Å; Y63-L67 PolarHBondContact O-N 2.92Å; F64-L67 HydrophobicContact CD1-CD1 4.41Å; F64-L67 PolarHBondContact O-N 3.06Å; L67-F70 PolarHBondContact O-N 3.34Å; L67-R71 PolarHBondContact O-N 3.02Å
68C77.4Confident74.8Confident15 Ų1565.3 Ų65.310%0.10133%0.328CS..Hα-helixtrans-60-49.4175.1174.60000111.3C36 F64 T65 D66 F70 R71 T72C36-C68 WeakPolarHBondContact CA-SG 3.37Å; C36-C68 HydrophobicContact CB-CB 3.65Å; C36-C68 WeakPolarHBondContact CB-SG 3.41Å; C36-C68 WeakPolarHBondContact SG-CB 3.36Å; C36-C68 CovalentContact SG-SG 2.05Å; C36-C68 PolarHBondContact SG-SG 3.38Å; F64-C68 PolarHBondContact O-N 3.44Å; T65-C68 WeakPolarHBondContact O-CB 3.5Å; T65-C68 PolarHBondContact O-N 3.45Å; D66-C68 VanDerWaalsContact C-N 3.33Å; D66-C68 PolarHBondContact O-N 3.4Å; C68-F70 VanDerWaalsContact C-N 3.34Å; C68-F70 PolarHBondContact O-N 3.15Å; C68-R71 PolarHBondContact O-N 3.45Å; C68-T72 PolarHBondContact O-N 3.33Å; C68-T72 PolarHBondContact O-OG1 2.99Å
69K75.4Confident74.1Confident55 Ų5566.3 Ų66.324%0.23933%0.331CS..Hα-helixtrans-57.1-47.3178.2-68172.3-166.9153.40111.7C36 T65 D66 R71 T72 L73C36-K69 HydrophobicContact CB-CG 4.27Å; C36-K69 PolarHBondContact SG-N 3.17Å; T65-K69 WeakPolarHBondContact O-CG 3.21Å; T65-K69 PolarHBondContact O-N 2.85Å; T65-K69 VanDerWaalsContact O-N 3.1Å; D66-K69 PolarHBondContact O-N 2.96Å; D66-K69 IonicContact OD1-NZ 2.84Å; D66-K69 PolarHBondContact OD1-NZ 3.32Å; K69-R71 PolarHBondContact O-N 3.32Å; K69-T72 PolarHBondContact O-N 3.48Å; K69-L73 WeakPolarHBondContact O-CG 3.36Å; K69-L73 PolarHBondContact O-N 3.49Å; K69-L73 VanDerWaalsContact O-N 3.1Å
70F74.4Confident73.1Confident144 Ų14465.5 Ų65.563%0.63233%0.33SS*.Hα-helixtrans-60.8-44.2179.7-178.6-95.9000111.8D66 L67 C68 L73 N74D66-F70 WeakPolarHBondContact O-CB 3.13Å; D66-F70 PolarHBondContact O-N 2.97Å; L67-F70 PolarHBondContact O-N 3.34Å; C68-F70 VanDerWaalsContact C-N 3.34Å; C68-F70 PolarHBondContact O-N 3.15Å; F70-L73 PolarHBondContact O-N 3.1Å; F70-N74 WeakPolarHBondContact O-CB 3.45Å; F70-N74 PolarHBondContact O-N 3.17Å
71R70.9Confident72.5Confident65 Ų6571.2 Ų71.225%0.24535%0.353CS..Hα-helixtrans-60.5-51.9177.5-180-179.5-67.1-171.31.8111.6I18 V21 L67 C68 K69 L73 N74 E75I18-R71 PolarHBondContact O-NH2 3.06Å; V21-R71 PolarHBondContact O-NH1 2.9Å; L67-R71 PolarHBondContact O-N 3.02Å; C68-R71 PolarHBondContact O-N 3.45Å; K69-R71 PolarHBondContact O-N 3.32Å; R71-L73 VanDerWaalsContact C-N 3.28Å; R71-L73 PolarHBondContact O-N 3.2Å; R71-N74 PolarHBondContact O-N 3.03Å; R71-E75 WeakPolarHBondContact CD-OE1 3.35Å; R71-E75 HydrophobicContact CG-CG 4.29Å; R71-E75 WeakPolarHBondContact CG-OE1 3.3Å; R71-E75 PolarHBondContact O-N 3.44Å
72T70.9Confident71.7Confident11 Ų1173 Ų737%0.06737%0.369CS..Hα-helixtrans-60.6-39.9-176.8-550000111.7L32 C68 K69 Q76L32-T72 HydrophobicContact CD1-CG2 3.54Å; C68-T72 PolarHBondContact O-N 3.33Å; C68-T72 PolarHBondContact O-OG1 2.99Å; K69-T72 PolarHBondContact O-N 3.48Å; T72-Q76 VanDerWaalsContact O-CG 3.3Å; T72-Q76 WeakPolarHBondContact O-CG 3.35Å; T72-Q76 PolarHBondContact O-N 3.24Å
73L71.1Confident70.7Confident95 Ų9572.6 Ų72.650%0.49736%0.364SS..Hα-helixtrans-64.4-42.3174.1-71.5172.1000112.1L29 K69 F70 R71 Q76 A77L29-L73 HydrophobicContact CD2-CD2 4.45Å; K69-L73 WeakPolarHBondContact O-CG 3.36Å; K69-L73 PolarHBondContact O-N 3.49Å; K69-L73 VanDerWaalsContact O-N 3.1Å; F70-L73 PolarHBondContact O-N 3.1Å; R71-L73 VanDerWaalsContact C-N 3.28Å; R71-L73 PolarHBondContact O-N 3.2Å; L73-Q76 PolarHBondContact O-N 3.14Å; L73-A77 WeakPolarHBondContact O-CB 3.36Å; L73-A77 PolarHBondContact O-N 2.9Å
74N72.2Confident69.8Low86 Ų8675.6 Ų75.646%0.4638%0.376SS..Hα-helixtrans-68.1-38.2-179.8-172.958.2000113.1F70 R71 Q76 A77 S78F70-N74 WeakPolarHBondContact O-CB 3.45Å; F70-N74 PolarHBondContact O-N 3.17Å; R71-N74 PolarHBondContact O-N 3.03Å; N74-Q76 VanDerWaalsContact C-N 3.35Å; N74-A77 PolarHBondContact O-N 3.42Å; N74-S78 WeakPolarHBondContact O-CB 3.31Å; N74-S78 PolarHBondContact O-N 3.16Å; N74-S78 PolarHBondContact O-OG 2.94Å
75E68.6Low69.1Low118 Ų11878.6 Ų78.655%0.55139%0.391SS*.Hα-helixtrans-63.8-42.3174.7-74.6178.2-173.300111.1R71 S78 F79R71-E75 WeakPolarHBondContact CD-OE1 3.35Å; R71-E75 HydrophobicContact CG-CG 4.29Å; R71-E75 WeakPolarHBondContact CG-OE1 3.3Å; R71-E75 PolarHBondContact O-N 3.44Å; E75-S78 PolarHBondContact O-N 3.36Å; E75-F79 PolarHBondContact O-N 3.4Å
76Q63.6Low68.5Low51 Ų5184.6 Ų84.624%0.23842%0.416CS..Hα-helixtrans-68-42.4176.2-70.3178.233.700112.5T72 L73 N74 S78 F79 I80T72-Q76 VanDerWaalsContact O-CG 3.3Å; T72-Q76 WeakPolarHBondContact O-CG 3.35Å; T72-Q76 PolarHBondContact O-N 3.24Å; L73-Q76 PolarHBondContact O-N 3.14Å; N74-Q76 VanDerWaalsContact C-N 3.35Å; Q76-S78 VanDerWaalsContact C-N 3.27Å; Q76-S78 PolarHBondContact O-N 3.38Å; Q76-F79 WeakPolarHBondContact O-CB 3.42Å; Q76-F79 PolarHBondContact O-N 3.47Å; Q76-F79 VanDerWaalsContact O-N 3.16Å; Q76-I80 VanDerWaalsContact O-CG1 3.31Å; Q76-I80 WeakPolarHBondContact O-CG1 3.49Å; Q76-I80 PolarHBondContact O-N 3.34Å
77A66.6Low67.5Low54 Ų5485 Ų8545%0.44642%0.418SS..Hα-helixtrans-59.9-41.1174.600000111.3L73 N74 I80 K81L73-A77 WeakPolarHBondContact O-CB 3.36Å; L73-A77 PolarHBondContact O-N 2.9Å; N74-A77 PolarHBondContact O-N 3.42Å; A77-I80 PolarHBondContact O-N 3.39Å; A77-K81 WeakPolarHBondContact O-CB 3.42Å; A77-K81 PolarHBondContact O-N 2.9Å
78S66.8Low66.8Low64 Ų6486 Ų8645%0.44843%0.428SS..Hα-helixtrans-64.1-41174.9-63.20000111.9N74 E75 Q76 K81 A82N74-S78 WeakPolarHBondContact O-CB 3.31Å; N74-S78 PolarHBondContact O-N 3.16Å; N74-S78 PolarHBondContact O-OG 2.94Å; E75-S78 PolarHBondContact O-N 3.36Å; Q76-S78 VanDerWaalsContact C-N 3.27Å; Q76-S78 PolarHBondContact O-N 3.38Å; S78-K81 PolarHBondContact O-N 2.89Å; S78-A82 WeakPolarHBondContact O-CB 3.38Å; S78-A82 PolarHBondContact O-N 3.22Å
79F65.9Low65.8Low130 Ų13090.5 Ų90.557%0.5746%0.456SS*.Hα-helixtrans-63.2-48.1174.8-179.9-96.3000111.9E75 Q76 K81 A82 Q83E75-F79 PolarHBondContact O-N 3.4Å; Q76-F79 WeakPolarHBondContact O-CB 3.42Å; Q76-F79 PolarHBondContact O-N 3.47Å; Q76-F79 VanDerWaalsContact O-N 3.16Å; F79-K81 VanDerWaalsContact C-N 3.34Å; F79-K81 PolarHBondContact O-N 2.97Å; F79-A82 PolarHBondContact O-N 2.93Å; F79-Q83 HydrophobicContact CD1-CG 4.22Å; F79-Q83 HydrophobicContact CE1-CG 3.81Å; F79-Q83 VanDerWaalsContact CE2-NE2 3.34Å; F79-Q83 HydrophobicContact CZ-CG 3.97Å; F79-Q83 VanDerWaalsContact CZ-NE2 3.31Å; F79-Q83 WeakPolarHBondContact O-CG 3.4Å; F79-Q83 PolarHBondContact O-N 3.11Å
80I59.2Low64.8Low114 Ų11489.1 Ų89.159%0.58546%0.455SS*.Hα-helixtrans-59.6-46.4177.7-67.1164.3000110.2Q76 A77 A82 Q83 Y84Q76-I80 VanDerWaalsContact O-CG1 3.31Å; Q76-I80 WeakPolarHBondContact O-CG1 3.49Å; Q76-I80 PolarHBondContact O-N 3.34Å; A77-I80 PolarHBondContact O-N 3.39Å; I80-A82 VanDerWaalsContact C-N 3.33Å; I80-A82 PolarHBondContact O-N 3.06Å; I80-Q83 PolarHBondContact O-N 3.37Å; I80-Y84 PolarHBondContact O-N 2.85Å
81K65.9Low63.6Low137 Ų13786.5 Ų86.560%0.59645%0.447SS*.Hα-helixtrans-58.3-45.2175.8-172.7-179-179.7-172.70111.4A77 S78 F79 Q83 Y84 E85A77-K81 WeakPolarHBondContact O-CB 3.42Å; A77-K81 PolarHBondContact O-N 2.9Å; S78-K81 PolarHBondContact O-N 2.89Å; F79-K81 VanDerWaalsContact C-N 3.34Å; F79-K81 PolarHBondContact O-N 2.97Å; K81-Q83 VanDerWaalsContact C-N 3.32Å; K81-Q83 PolarHBondContact O-N 2.95Å; K81-Y84 PolarHBondContact O-N 3.4Å; K81-E85 WeakPolarHBondContact O-CG 3.43Å; K81-E85 PolarHBondContact O-N 2.93Å
82A64.8Low62.4Low46 Ų4688.6 Ų88.638%0.3846%0.463SS..Hα-helixtrans-63.5-35.4177.900000112.9S78 F79 I80 K86S78-A82 WeakPolarHBondContact O-CB 3.38Å; S78-A82 PolarHBondContact O-N 3.22Å; F79-A82 PolarHBondContact O-N 2.93Å; I80-A82 VanDerWaalsContact C-N 3.33Å; I80-A82 PolarHBondContact O-N 3.06Å; A82-K86 WeakPolarHBondContact O-CG 3.37Å; A82-K86 PolarHBondContact O-N 3.42Å
83Q59.5Low61.1Low66 Ų6692.2 Ų92.231%0.30849%0.485SS..Hα-helixtrans-68.7-44.7172.1-61.9-54.2-35.700111F79 I80 K81 E85 K86 L87F79-Q83 HydrophobicContact CD1-CG 4.22Å; F79-Q83 HydrophobicContact CE1-CG 3.81Å; F79-Q83 VanDerWaalsContact CE2-NE2 3.34Å; F79-Q83 HydrophobicContact CZ-CG 3.97Å; F79-Q83 VanDerWaalsContact CZ-NE2 3.31Å; F79-Q83 WeakPolarHBondContact O-CG 3.4Å; F79-Q83 PolarHBondContact O-N 3.11Å; I80-Q83 PolarHBondContact O-N 3.37Å; K81-Q83 VanDerWaalsContact C-N 3.32Å; K81-Q83 PolarHBondContact O-N 2.95Å; Q83-E85 VanDerWaalsContact C-N 3.31Å; Q83-E85 PolarHBondContact O-N 3.4Å; Q83-K86 WeakPolarHBondContact O-CB 3.08Å; Q83-K86 PolarHBondContact O-N 3.18Å; Q83-K86 VanDerWaalsContact O-N 3.07Å; Q83-L87 HydrophobicContact CB-CD1 4.43Å; Q83-L87 WeakPolarHBondContact O-CD1 3.35Å; Q83-L87 PolarHBondContact O-N 3.19Å
84Y62.1Low60Low164 Ų16492.1 Ų92.164%0.64349%0.488SS*.Hα-helixtrans-58.2-43.3177.2-174.5-93.1000111.9I80 K81 K86 L87 S88I80-Y84 PolarHBondContact O-N 2.85Å; K81-Y84 PolarHBondContact O-N 3.4Å; Y84-K86 VanDerWaalsContact C-N 3.32Å; Y84-K86 PolarHBondContact O-N 3.46Å; Y84-L87 CarbonylContact O-C 3.53Å; Y84-L87 PolarHBondContact O-N 3.5Å; Y84-L87 VanDerWaalsContact O-N 3.13Å; Y84-S88 WeakPolarHBondContact O-CB 3.36Å; Y84-S88 PolarHBondContact O-N 2.9Å; Y84-S88 PolarHBondContact O-OG 2.86Å
85E64.9Low58.5Low96 Ų9693.6 Ų93.645%0.44949%0.494SS..Hα-helixtrans-63.2-36.1175.4-69.2-65.6165.300112.5K81 Q83 L87 S88 T89K81-E85 WeakPolarHBondContact O-CG 3.43Å; K81-E85 PolarHBondContact O-N 2.93Å; Q83-E85 VanDerWaalsContact C-N 3.31Å; Q83-E85 PolarHBondContact O-N 3.4Å; E85-L87 VanDerWaalsContact C-N 3.34Å; E85-S88 WeakPolarHBondContact CA-OG 3.34Å; E85-S88 PolarHBondContact O-OG 3.43Å; E85-T89 WeakPolarHBondContact O-CB 3.18Å; E85-T89 VanDerWaalsContact O-CG2 3.3Å; E85-T89 WeakPolarHBondContact O-CG2 3.32Å; E85-T89 PolarHBondContact O-N 3.45Å; E85-T89 PolarHBondContact O-OG1 3.2Å
86K64.5Low57.2Low134 Ų13495.8 Ų95.858%0.58350%0.502SS*.Hα-helixtrans-67.2-35.8173.1-73.2175.4-178.2-177.60112.2A82 Q83 Y84 T89 A90A82-K86 WeakPolarHBondContact O-CG 3.37Å; A82-K86 PolarHBondContact O-N 3.42Å; Q83-K86 WeakPolarHBondContact O-CB 3.08Å; Q83-K86 PolarHBondContact O-N 3.18Å; Q83-K86 VanDerWaalsContact O-N 3.07Å; Y84-K86 VanDerWaalsContact C-N 3.32Å; Y84-K86 PolarHBondContact O-N 3.46Å; K86-T89 PolarHBondContact O-OG1 2.91Å; K86-A90 WeakPolarHBondContact O-CB 3.49Å; K86-A90 PolarHBondContact O-N 3.07Å; K86-A90 VanDerWaalsContact O-N 3.09Å
87L57.5Low55.8Low96 Ų9697.4 Ų97.450%0.50352%0.515SS..Hα-helixtrans-76.7-34.6176.1-84.1105.1000112.5Q83 Y84 E85 T89 A90Q83-L87 HydrophobicContact CB-CD1 4.43Å; Q83-L87 WeakPolarHBondContact O-CD1 3.35Å; Q83-L87 PolarHBondContact O-N 3.19Å; Y84-L87 CarbonylContact O-C 3.53Å; Y84-L87 PolarHBondContact O-N 3.5Å; Y84-L87 VanDerWaalsContact O-N 3.13Å; E85-L87 VanDerWaalsContact C-N 3.34Å; L87-T89 VanDerWaalsContact C-N 3.33Å; L87-A90 WeakPolarHBondContact O-CB 3.39Å; L87-A90 PolarHBondContact O-N 3.37Å
88S60.6Low54.3Low64 Ų64100.7 Ų100.745%0.44853%0.53SS..Hα-helixtrans-70.7-33.8178.571.70000111.4Y84 E85Y84-S88 WeakPolarHBondContact O-CB 3.36Å; Y84-S88 PolarHBondContact O-N 2.9Å; Y84-S88 PolarHBondContact O-OG 2.86Å; E85-S88 WeakPolarHBondContact CA-OG 3.34Å; E85-S88 PolarHBondContact O-OG 3.43Å
89T56.5Low52.7Low111 Ų111106.3 Ų106.368%0.68155%0.546SS*.Hα-helixtrans-83.2-16.9173.555.30000113.1E85 K86 L87 D91E85-T89 WeakPolarHBondContact O-CB 3.18Å; E85-T89 VanDerWaalsContact O-CG2 3.3Å; E85-T89 WeakPolarHBondContact O-CG2 3.32Å; E85-T89 PolarHBondContact O-N 3.45Å; E85-T89 PolarHBondContact O-OG1 3.2Å; K86-T89 PolarHBondContact O-OG1 2.91Å; L87-T89 VanDerWaalsContact C-N 3.33Å; T89-D91 PolarHBondContact O-N 3.2Å
90A54.2Low51.2Low26 Ų26104.8 Ų104.822%0.21555%0.549CS..SBendtrans-69.9118.8171.800000109K86 L87 L92 M95K86-A90 WeakPolarHBondContact O-CB 3.49Å; K86-A90 PolarHBondContact O-N 3.07Å; K86-A90 VanDerWaalsContact O-N 3.09Å; L87-A90 WeakPolarHBondContact O-CB 3.39Å; L87-A90 PolarHBondContact O-N 3.37Å; A90-L92 PolarHBondContact O-N 2.99Å; A90-M95 HydrophobicContact CB-CE 3.92Å
91D48.1Very low49.8Very low89 Ų89106.2 Ų106.248%0.47656%0.564SS.*  trans-62.2100.9171-174.6-8.4000108.5T89 T93 T94T89-D91 PolarHBondContact O-N 3.2Å; D91-T93 PolarHBondContact O-N 3.42Å; D91-T93 VanDerWaalsContact OD1-CB 3.3Å; D91-T93 WeakPolarHBondContact OD1-CB 3.3Å; D91-T93 WeakPolarHBondContact OD1-CG2 3.39Å; D91-T93 PolarHBondContact OD1-N 2.88Å; D91-T93 PolarHBondContact OD1-OG1 3.19Å; D91-T93 PolarHBondContact OD2-OG1 2.86Å; D91-T93 VanDerWaalsContact OD2-OG1 3.09Å; D91-T94 HydrophobicContact CB-CG2 4Å; D91-T94 WeakPolarHBondContact O-CB 3.28Å; D91-T94 PolarHBondContact O-N 3.25Å; D91-T94 PolarHBondContact O-OG1 3.31Å
92L47.3Very low48.2Very low109 Ų109107.2 Ų107.257%0.57157%0.571SS**Hα-helixtrans-53.1-28-179.9-72164.6000111.4A90 T94 M95 F96A90-L92 PolarHBondContact O-N 2.99Å; L92-T94 PolarHBondContact O-N 3.09Å; L92-M95 PolarHBondContact O-N 3.27Å; L92-F96 VanDerWaalsContact O-CD2 3.28Å; L92-F96 WeakPolarHBondContact O-CD2 3.45Å; L92-F96 PolarHBondContact O-N 2.69Å
93T44Very low46.3Very low87 Ų87107.3 Ų107.353%0.53458%0.575SS.*Hα-helixtrans-62.3-33.8175.871.50000111.3D91 F96 T97D91-T93 PolarHBondContact O-N 3.42Å; D91-T93 VanDerWaalsContact OD1-CB 3.3Å; D91-T93 WeakPolarHBondContact OD1-CB 3.3Å; D91-T93 WeakPolarHBondContact OD1-CG2 3.39Å; D91-T93 PolarHBondContact OD1-N 2.88Å; D91-T93 PolarHBondContact OD1-OG1 3.19Å; D91-T93 PolarHBondContact OD2-OG1 2.86Å; D91-T93 VanDerWaalsContact OD2-OG1 3.09Å; T93-F96 PolarHBondContact O-N 3.06Å; T93-T97 WeakPolarHBondContact O-CB 3.28Å; T93-T97 PolarHBondContact O-N 3.13Å; T93-T97 PolarHBondContact O-OG1 3.44Å
94T46.4Very low44.8Very low92 Ų92110.5 Ų110.556%0.56460%0.602SS**Hα-helixtrans-73.6-28.2177.567.70000113.3D91 L92D91-T94 HydrophobicContact CB-CG2 4Å; D91-T94 WeakPolarHBondContact O-CB 3.28Å; D91-T94 PolarHBondContact O-N 3.25Å; D91-T94 PolarHBondContact O-OG1 3.31Å; L92-T94 PolarHBondContact O-N 3.09Å
95M42.4Very low43.2Very low117 Ų117107.7 Ų107.758%0.57660%0.602SS**Hα-helixtrans-73.4-34.1175.2-76-166-171.700112.4A90 L92A90-M95 HydrophobicContact CB-CE 3.92Å; L92-M95 PolarHBondContact O-N 3.27Å
96F41.2Very low41.4Very low164 Ų164109.3 Ų109.372%0.71962%0.619SS**Hα-helixtrans-96.6-3.4177.5-63.3-71.8000113.9L92 T93 T98L92-F96 VanDerWaalsContact O-CD2 3.28Å; L92-F96 WeakPolarHBondContact O-CD2 3.45Å; L92-F96 PolarHBondContact O-N 2.69Å; T93-F96 PolarHBondContact O-N 3.06Å; F96-T98 PolarHBondContact O-N 2.73Å
97T32.6Very low39.5Very low85 Ų85108.2 Ų108.252%0.52162%0.623SS.*  trans-73.984.5167.3-57.20000107.3T93 K99T93-T97 WeakPolarHBondContact O-CB 3.28Å; T93-T97 PolarHBondContact O-N 3.13Å; T93-T97 PolarHBondContact O-OG1 3.44Å; T97-K99 PolarHBondContact O-N 3.01Å
98T35.1Very low37.9Very low124 Ų124109.6 Ų109.676%0.76164%0.636SS**  trans-50.895.8150.543.40000105.7F96 P100F96-T98 PolarHBondContact O-N 2.73Å; T98-P100 WeakPolarHBondContact O-CD 3.4Å
99K34.8Very low36.2Very low182 Ų182111.6 Ų111.679%0.79165%0.647SS**  trans-51.3114.6163.8-106.3-177.3176.8177.80104.2T97 T101T97-K99 PolarHBondContact O-N 3.01Å; K99-T101 PolarHBondContact O-N 2.98Å
100P34.2Very low34.6Very low97 Ų97117.1 Ų117.163%0.6366%0.656SS**  trans-55.7122.4164.8-14.629.5000103.7T98 Q102T98-P100 WeakPolarHBondContact O-CD 3.4Å; P100-Q102 HydrophobicContact CB-CG 4.27Å; P100-Q102 PolarHBondContact O-N 2.68Å
101T29.2Very low33.3Very low145 Ų145121.3 Ų121.389%0.8968%0.679SS**  trans-64.269.3166.1-52.90000106.7K99K99-T101 PolarHBondContact O-N 2.98Å
102Q32.6Very low32.2Very low158 Ų158123.1 Ų123.174%0.73869%0.693SS**  trans-80.9120.8158.8-75.7-173.9-0.800104P100P100-Q102 HydrophobicContact CB-CG 4.27Å; P100-Q102 PolarHBondContact O-N 2.68Å
103G25.2Very low31.2Very low47 Ų47125.3 Ų125.349%0.48570%0.701SS.*  trans-48.9166.5173.300000111.5T105G103-T105 VanDerWaalsContact C-N 3.33Å; G103-T105 PolarHBondContact O-N 2.83Å; G103-T105 PolarHBondContact O-OG1 3.28Å
104P27.7Very low30.3Very low133 Ų133130 Ų13086%0.86471%0.714SS**  trans-60.190.5-167.826.6-35.2000111.3T106P104-T106 PolarHBondContact O-N 2.78Å
105T27.7Very low29.4Very low106 Ų106130.4 Ų130.465%0.6572%0.718SS**  trans-94.882.2166.4-26.30000106.1G103 T107G103-T105 VanDerWaalsContact C-N 3.33Å; G103-T105 PolarHBondContact O-N 2.83Å; G103-T105 PolarHBondContact O-OG1 3.28Å; T105-T107 PolarHBondContact O-N 2.84Å
106T26.7Very low28.5Very low130 Ų130129.3 Ų129.380%0.79872%0.718SS**  trans-59.582158.231.60000108.3P104P104-T106 PolarHBondContact O-N 2.78Å
107T25.6Very low27.7Very low110 Ų110127.6 Ų127.668%0.67572%0.715SS**  trans-101106.4160.9-50.70000105.3T105 P109T105-T107 PolarHBondContact O-N 2.84Å; T107-P109 WeakPolarHBondContact O-CD 3.3Å
108T22.7Very low27.3Very low126 Ų126133 Ų13377%0.77373%0.727SS**  trans-86.6105.8175.6-55.10000108.8
109P25Very low26.8Very low105 Ų105132.4 Ų132.468%0.68272%0.723SS**  trans-90.4106.5162.46.616.7000107.1T107 T111T107-P109 WeakPolarHBondContact O-CD 3.3Å; P109-T111 PolarHBondContact O-N 3.49Å
110R24.1Very low26.2Very low228 Ų228129.5 Ų129.586%0.8672%0.721SS**  trans-44.195.1168-177.9-176.8-176.4177.11.2111.4
111T26.8Very low25.7Very low114 Ų114136 Ų13670%0.69973%0.733SS**  trans-97.5107.3159.940000107.8P109 Q113P109-T111 PolarHBondContact O-N 3.49Å; T111-Q113 PolarHBondContact O-N 3.24Å
112T25.4Very low25.7Very low127 Ų127134.3 Ų134.378%0.77972%0.723SS**  trans-71.663.2172.5-36.30000109.2
113Q26.7Very low25.4Very low155 Ų155133.7 Ų133.772%0.72473%0.73SS**  trans-98.2104166.8-70.2-159.974.300106.8T111 P115T111-Q113 PolarHBondContact O-N 3.24Å; Q113-P115 WeakPolarHBondContact O-CD 3.34Å; Q113-P115 WeakPolarHBondContact O-CG 3.08Å
114K23.6Very low25.6Very low185 Ų185139.4 Ų139.480%0.80474%0.744SS**  trans-49.5103.9172-175.9-171.2-177.8-161.70107.9T116K114-T116 PolarHBondContact O-N 3.34Å
115P27.5Very low25.4Very low100 Ų100142 Ų14265%0.64974%0.741SS**  trans-75.3106173.9-1.720.8000104.3Q113 I117Q113-P115 WeakPolarHBondContact O-CD 3.34Å; Q113-P115 WeakPolarHBondContact O-CG 3.08Å; P115-I117 HydrophobicContact CB-CG1 4.08Å; P115-I117 PolarHBondContact O-N 3.2Å
116T24.3Very low25.5Very low94 Ų94142.3 Ų142.358%0.57775%0.745SS**  trans-65.989.4159.6-56.90000105.4K114 Y118K114-T116 PolarHBondContact O-N 3.34Å; T116-Y118 VanDerWaalsContact C-N 3.29Å; T116-Y118 HydrophobicContact CG2-CD2 3.94Å; T116-Y118 HydrophobicContact CG2-CE2 3.64Å; T116-Y118 PolarHBondContact O-N 2.83Å
117I24.8Very low25.4Very low129 Ų129140.8 Ų140.866%0.66274%0.736SS**  trans-6993.7175.2-54.1177.5000106P115 T119P115-I117 HydrophobicContact CB-CG1 4.08Å; P115-I117 PolarHBondContact O-N 3.2Å; I117-T119 VanDerWaalsContact CG2-OG1 3.28Å; I117-T119 WeakPolarHBondContact CG2-OG1 2.97Å; I117-T119 PolarHBondContact O-N 2.87Å
118Y23.9Very low25.5Very low198 Ų198141.4 Ų141.478%0.77674%0.74SS**  trans-68.592.7156.5-79-80.3000106.6T116 T120T116-Y118 VanDerWaalsContact C-N 3.29Å; T116-Y118 HydrophobicContact CG2-CD2 3.94Å; T116-Y118 HydrophobicContact CG2-CE2 3.64Å; T116-Y118 PolarHBondContact O-N 2.83Å; Y118-T120 PolarHBondContact O-N 3.04Å
119T24.3Very low25.5Very low111 Ų111145 Ų14568%0.68174%0.741SS**  trans-73.481.9170.2-56.60000107.1I117 R121I117-T119 VanDerWaalsContact CG2-OG1 3.28Å; I117-T119 WeakPolarHBondContact CG2-OG1 2.97Å; I117-T119 PolarHBondContact O-N 2.87Å; T119-R121 PolarHBondContact O-N 3.48Å
120T23Very low25.5Very low121 Ų121146.2 Ų146.274%0.74275%0.746SS**  trans-78.3104.6160.725.20000107.8Y118 T122Y118-T120 PolarHBondContact O-N 3.04Å; T120-T122 PolarHBondContact O-N 3.14Å
121R22.8Very low25.4Very low235 Ų235141 Ų14189%0.88774%0.74SS**  trans-6391.9173.2-133.5-177.7179.7-173.4-0.3108.5T119T119-R121 PolarHBondContact O-N 3.48Å
122T28.8Very low25.3Very low109 Ų109146.5 Ų146.567%0.66975%0.748SS**  trans-116.694.716311.30000108.5T120 Q124T120-T122 PolarHBondContact O-N 3.14Å; T122-Q124 PolarHBondContact O-N 2.94Å
123T26.1Very low25.4Very low144 Ų144146.2 Ų146.288%0.88375%0.746SS**  trans-61.581162.9210000109.1
124Q30.1Very low25.3Very low167 Ų167144.9 Ų144.978%0.7875%0.749SS**  trans-111.3107.4161.2-68.2-160.854.700107.9T122 P126T122-Q124 PolarHBondContact O-N 2.94Å; Q124-P126 WeakPolarHBondContact O-CD 3.47Å
125K24.4Very low25.7Very low187 Ų187140.2 Ų140.281%0.81374%0.744SS**  trans-47.1117174.5-170.9-177-176.5-168.40109T127K125-T127 PolarHBondContact O-N 2.92Å
126P29.1Very low25.6Very low114 Ų114144.3 Ų144.374%0.7475%0.752SS**  trans-68100174.524.1-29.5000108.5Q124 T128Q124-P126 WeakPolarHBondContact O-CD 3.47Å; P126-T128 PolarHBondContact O-N 3.09Å
127T24.9Very low25.9Very low97 Ų97145.7 Ų145.760%0.59576%0.762SS**  trans-72.395.7166.6-540000107.1K125 Y129K125-T127 PolarHBondContact O-N 2.92Å; T127-Y129 HydrophobicContact CG2-CD2 4.05Å; T127-Y129 HydrophobicContact CG2-CE2 3.7Å; T127-Y129 PolarHBondContact O-N 3.19Å; T127-Y129 VanDerWaalsContact O-N 3.11Å
128T26.2Very low26Very low124 Ų124146.6 Ų146.676%0.76177%0.767SS**  trans-65.5102.7170.330.20000109.3P126 T130P126-T128 PolarHBondContact O-N 3.09Å; T128-T130 PolarHBondContact O-N 2.6Å
129Y23.5Very low26.1Very low201 Ų201142.8 Ų142.879%0.78876%0.764SS**  trans-80.8103.7164.3-80.4-87.1000108.7T127 T131T127-Y129 HydrophobicContact CG2-CD2 4.05Å; T127-Y129 HydrophobicContact CG2-CE2 3.7Å; T127-Y129 PolarHBondContact O-N 3.19Å; T127-Y129 VanDerWaalsContact O-N 3.11Å; Y129-T131 PolarHBondContact O-N 3.06Å
130T25Very low26.2Very low130 Ų130144.2 Ų144.280%0.79877%0.766SS**  trans-83.194.8167.1-57.20000108.5T128 R132T128-T130 PolarHBondContact O-N 2.6Å; T130-R132 PolarHBondContact O-N 2.67Å
131T22.8Very low26.2Very low118 Ų118145.3 Ų145.372%0.72477%0.767SS**  trans-81.2108.9166.328.70000109.3Y129 T133Y129-T131 PolarHBondContact O-N 3.06Å; T131-T133 PolarHBondContact O-N 2.58Å; T131-T133 VanDerWaalsContact O-N 3.14Å
132R23.7Very low26.4Very low231 Ų231139.6 Ų139.687%0.87276%0.76SS**  trans-8084.5175.7-164.6-178.1-170.4-169.93.3108.8T130 T134T130-R132 PolarHBondContact O-N 2.67Å; R132-T134 PolarHBondContact O-N 3.02Å
133T27.7Very low26.3Very low121 Ų121145.1 Ų145.174%0.74277%0.769SS**  trans-85.1102.3176.4-31.80000109.4T131 A135T131-T133 PolarHBondContact O-N 2.58Å; T131-T133 VanDerWaalsContact O-N 3.14Å; T133-A135 VanDerWaalsContact C-N 3.27Å; T133-A135 PolarHBondContact O-N 2.83Å
134T25Very low26.4Very low127 Ų127144 Ų14478%0.77976%0.762SS**  trans-75.776174.3-35.50000109.5R132 K136R132-T134 PolarHBondContact O-N 3.02Å; T134-K136 PolarHBondContact O-N 3.07Å
135A31.2Very low26.3Very low86 Ų86142.9 Ų142.971%0.71177%0.767SS**  trans-80.6109.4171.900000109.2T133T133-A135 VanDerWaalsContact C-N 3.27Å; T133-A135 PolarHBondContact O-N 2.83Å
136K26.9Very low26.7Very low187 Ų187142.9 Ų142.981%0.81377%0.77SS**  trans-60.8132168.5-73.7-178.9176.1-177.60108.8T134 I138T134-K136 PolarHBondContact O-N 3.07Å; K136-I138 PolarHBondContact O-N 3.05Å
137P29Very low26.6Very low122 Ų122146.9 Ų146.979%0.79278%0.775SS**  trans-65.3118.3177.7-9.521.3000109.9T139P137-T139 PolarHBondContact O-N 3.37Å
138I28.3Very low26.7Very low148 Ų148147 Ų14776%0.75978%0.78SS**  trans-87.2100.8166.4-56.8176.6000106.2K136 I140K136-I138 PolarHBondContact O-N 3.05Å; I138-I140 HydrophobicContact CG2-CD1 4.42Å; I138-I140 HydrophobicContact CG2-CG1 3.87Å; I138-I140 PolarHBondContact O-N 2.82Å
139T25.4Very low26.7Very low118 Ų118147 Ų14772%0.72478%0.78SS**  trans-75.6100.5172.3-53.80000108.6P137P137-T139 PolarHBondContact O-N 3.37Å
140I25.9Very low26.9Very low141 Ų141144.2 Ų144.272%0.72378%0.777SS**  trans-90.6118.9170-54.6176.8000106.8I138 P142I138-I140 HydrophobicContact CG2-CD1 4.42Å; I138-I140 HydrophobicContact CG2-CG1 3.87Å; I138-I140 PolarHBondContact O-N 2.82Å; I140-P142 WeakPolarHBondContact O-CD 3.21Å
141L23.4Very low27Very low145 Ų145146 Ų14676%0.75978%0.777SS**  trans-103.198.8-177.9-152.280.4000109.3
142P26.9Very low27.1Very low114 Ų114145.5 Ų145.574%0.7478%0.778SS**  trans-87.7105.8171.530.8-29.9000109.4I140I140-P142 WeakPolarHBondContact O-CD 3.21Å
143R26.9Very low27.3Very low225 Ų225140 Ų14085%0.84977%0.77SS**  trans-94.7109164.4-167.9174.1-82.5160.6-5.9108.3
144T29.4Very low27.3Very low122 Ų122143.1 Ų143.175%0.74877%0.774SS**  trans-61.2133.9178.833.40000112.4
145T27.2Very low27.4Very low142 Ų142142.1 Ų142.187%0.87177%0.77SS**  trans-96.889.2170-28.20000107.9K147T145-K147 PolarHBondContact O-N 3.09Å; T145-K147 VanDerWaalsContact O-N 3.14Å
146E31.9Very low27.4Very low188 Ų188146.5 Ų146.588%0.87978%0.779SS**  trans-70.1103.7171.9-90.8-174.2149.500109.7S148E146-S148 PolarHBondContact O-N 2.69Å
147K28.1Very low27.4Very low197 Ų197144 Ų14486%0.85777%0.774SS**  trans-91.695.2165.5-149.1177.7-173.5-177.70107.5T145 T149T145-K147 PolarHBondContact O-N 3.09Å; T145-K147 VanDerWaalsContact O-N 3.14Å; K147-T149 PolarHBondContact O-N 3.16Å; K147-T149 VanDerWaalsContact O-N 3.07Å
148S25.7Very low27.5Very low99 Ų99146.9 Ų146.969%0.69277%0.774SS**  trans-55.4102.2176.7171.70000111.6E146E146-S148 PolarHBondContact O-N 2.69Å
149T26.5Very low27.8Very low125 Ų125145 Ų14577%0.76777%0.772SS**  trans-97.398.9166.3-58.10000108K147 Q151K147-T149 PolarHBondContact O-N 3.16Å; K147-T149 VanDerWaalsContact O-N 3.07Å; T149-Q151 PolarHBondContact O-N 2.84Å; T149-Q151 VanDerWaalsContact O-N 3.09Å
150I28.1Very low27.9Very low142 Ų142146.7 Ų146.773%0.72878%0.775SS**  trans-72.196.2176-58.7170000107.5S152I150-S152 VanDerWaalsContact C-N 3.35Å; I150-S152 PolarHBondContact O-N 2.93Å; I150-S152 VanDerWaalsContact O-N 3.16Å
151Q26.9Very low28.2Very low168 Ų168148.6 Ų148.679%0.78578%0.783SS**  trans-85.682.7171.9-159.5171.9-9.300108.8T149 T153T149-Q151 PolarHBondContact O-N 2.84Å; T149-Q151 VanDerWaalsContact O-N 3.09Å; Q151-T153 VanDerWaalsContact C-N 3.33Å; Q151-T153 PolarHBondContact O-N 3.05Å
152S25.6Very low28.5Very low107 Ų107149 Ų14975%0.74879%0.786SS**  trans-76.280.3175174.60000110.1I150 K154I150-S152 VanDerWaalsContact C-N 3.35Å; I150-S152 PolarHBondContact O-N 2.93Å; I150-S152 VanDerWaalsContact O-N 3.16Å; S152-K154 PolarHBondContact O-N 3.35Å
153T26.9Very low28.7Very low116 Ų116149 Ų14971%0.71279%0.785SS**  trans-79.4112.4172.9-40.90000109.3Q151Q151-T153 VanDerWaalsContact C-N 3.33Å; Q151-T153 PolarHBondContact O-N 3.05Å
154K27.8Very low28.7Very low186 Ų186143.1 Ų143.181%0.80977%0.773SS**  trans-60.2133.9-175.5-148175.5-171.7-177.70111.1S152 I156S152-K154 PolarHBondContact O-N 3.35Å; K154-I156 PolarHBondContact O-N 3.46Å
155P28.1Very low28.7Very low107 Ų107145.5 Ų145.570%0.69578%0.776SS**  trans-70.9126-176.425.4-31.5000111.9L157P155-L157 PolarHBondContact O-N 3.15Å; P155-L157 VanDerWaalsContact O-N 3.15Å
156I31Very low28.7Very low178 Ų178143 Ų14391%0.91377%0.77SS**  trans-77.297164.8-62.7175.3000106.8K154K154-I156 PolarHBondContact O-N 3.46Å
157L26.4Very low28.8Very low135 Ų135143.8 Ų143.871%0.70779%0.791SS**  trans-93.3119.8174.1-154.483.3000107.8P155P155-L157 PolarHBondContact O-N 3.15Å; P155-L157 VanDerWaalsContact O-N 3.15Å
158K32.3Very low28.8Very low182 Ų182141.2 Ų141.279%0.79179%0.788SS**  159156.6118.2-85.8-168-176.5-174.80114
159P33.2Very low29Very low109 Ų109143.4 Ų143.471%0.70879%0.793SS**  trans-110162.9-14640.7-31.5000112.2
160L28.2Very low29.1Very low153 Ų153144.4 Ų144.480%0.80180%0.795SS**  trans-174.2102.4136.1-146.760.6000109.8
161M31.6Very low29.2Very low181 Ų181144.5 Ų144.589%0.89280%0.798SS**  trans-130.272.3159.1-80.1-82.1-168.800106
162N29.2Very low29.3Very low153 Ų153143.1 Ų143.182%0.81880%0.799SS**  trans-91.395.7161.1-101.220.7000106.2
163T31.1Very low29.6Very low115 Ų115145.5 Ų145.571%0.70680%0.803SS**  trans-144.6132.7162.7-34.60000107.3
164T27.7Very low29.8Very low100 Ų100147.6 Ų147.661%0.61381%0.809SS**  trans111.1103.7143.8-47.90000117
165Q30Very low29.9Very low173 Ų173144.6 Ų144.681%0.80881%0.809SS**  trans75.7112.3136.5-74.6163.2-19.300118.4
166A27.2Very low30.1Very low90 Ų90147.8 Ų147.874%0.74482%0.819SS**  80.8127.182.400000110.9
167P33.3Very low30Very low204 Ų204145 Ų145100%1.32581%0.81SS**  -121.7070.237.3-28000115.2

Retrieved 167 of 167 residues in 77.8 ms (Link to these results)