A0A5K4F4M3_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F4M3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 196 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.2Very low65.3Low241 Ų241104.5 Ų104.5100%1.18752%0.524SS*.  0119.90-84.4165.1159.800107.8E3M1-E3 PolarHBondContact O-N 3.07Å
2K42.9Very low67.6Low208 Ų20895.8 Ų95.890%0.90448%0.48SS*.  trans-77.999.8168.5-94.2179.2173.7176.60106S4K2-S4 VanDerWaalsContact C-N 3.3Å; K2-S4 PolarHBondContact O-N 3.08Å
3E45.3Very low69.5Low186 Ų18691.8 Ų91.887%0.86946%0.459SS*.  trans-62.8102.6160.7-76.8-175.1161.300106.3M1M1-E3 PolarHBondContact O-N 3.07Å
4S47.5Very low71Confident92 Ų9288.8 Ų88.864%0.64344%0.441SS*.  trans-55.8131.3168.2-69.40000107.1K2 I6K2-S4 VanDerWaalsContact C-N 3.3Å; K2-S4 PolarHBondContact O-N 3.08Å; S4-I6 VanDerWaalsContact C-N 3.33Å; S4-I6 PolarHBondContact O-N 2.82Å
5P55Low72Confident81 Ų8191.7 Ų91.753%0.52645%0.453SS..  trans-67.897.8179.626.3-30.9000107.6N7P5-N7 PolarHBondContact O-N 3.09Å
6I61.6Low72.8Confident133 Ų13391.2 Ų91.268%0.68248%0.479SS*.SBendtrans-58.9-19.6-176.7-72.6167.8000111S4S4-I6 VanDerWaalsContact C-N 3.33Å; S4-I6 PolarHBondContact O-N 2.82Å
7N65.5Low73.2Confident56 Ų5692.8 Ų92.830%0.29948%0.481SS..  trans-123.6101.8176.8-65.4-56.3000110.8P5 K65P5-N7 PolarHBondContact O-N 3.09Å; N7-K65 HydrophobicContact CB-CB 3.93Å; N7-K65 HydrophobicContact CB-CD 4.28Å; N7-K65 HydrophobicContact CB-CG 4.43Å
8K84.6Confident73.5Confident111 Ų11191.6 Ų91.648%0.48348%0.481SS..  trans-75.1-33.3-179.7-71.6-179.4-178.7172.90112.2S24 G25 C66K8-S24 CarbonylContact O-C 3.57Å; K8-S24 VanDerWaalsContact O-CA 3.23Å; K8-S24 WeakPolarHBondContact O-CA 3.46Å; K8-S24 PolarHBondContact O-OG 3.5Å; K8-G25 PolarHBondContact O-N 3.46Å; K8-C66 PolarHBondContact N-O 3.45Å
9Y91Very high74.1Confident36 Ų3691.8 Ų91.814%0.14148%0.483CS..EExtended strand (participates in β ladder)trans-126.1146-174.7-60.2-83000110.9I22 A23 C66 L69Y9-I22 HydrophobicContact CD1-CG2 4.2Å; Y9-A23 CarbonylContact C-O 3.58Å; Y9-A23 WeakPolarHBondContact CA-O 3.49Å; Y9-C66 PolarHBondContact N-O 3.28Å; Y9-C66 PolarHBondContact O-N 2.92Å; Y9-C66 VanDerWaalsContact O-O 3.13Å; Y9-L69 HydrophobicContact CD1-CB 4.39Å; Y9-L69 HydrophobicContact CD1-CD1 3.98Å; Y9-L69 HydrophobicContact CD2-CB 4.21Å; Y9-L69 VanDerWaalsContact CD2-N 3.34Å; Y9-L69 HydrophobicContact CE1-CB 4.01Å; Y9-L69 HydrophobicContact CE1-CD1 3.94Å; Y9-L69 HydrophobicContact CE1-CG 4.39Å; Y9-L69 HydrophobicContact CE2-CB 3.82Å; Y9-L69 HydrophobicContact CG-CB 4.48Å
10V92.5Very high74.9Confident5 Ų587.9 Ų87.93%0.0346%0.463CS..EExtended strand (participates in β ladder)trans-135.8130.8-177.6-171.40000108.6L12 I22 A23 V28 I62 H64 K65V10-L12 HydrophobicContact CB-CD2 4.36Å; V10-L12 HydrophobicContact CG1-CD2 3.67Å; V10-L12 HydrophobicContact CG1-CG 4.33Å; V10-I22 WeakPolarHBondContact O-CA 3.42Å; V10-A23 PolarHBondContact N-O 2.93Å; V10-A23 PolarHBondContact O-N 3.45Å; V10-V28 HydrophobicContact CB-CG2 4.48Å; V10-I62 HydrophobicContact CG1-CB 4.22Å; V10-I62 HydrophobicContact CG1-CD1 4.23Å; V10-I62 HydrophobicContact CG1-CG1 3.95Å; V10-I62 HydrophobicContact CG1-CG2 3.55Å; V10-H64 CarbonylContact C-O 3.54Å; V10-H64 WeakPolarHBondContact CA-O 3.04Å; V10-K65 HydrophobicContact CG1-CG 4.36Å; V10-K65 HydrophobicContact CG2-CG 4.35Å
11I92.7Very high75.7Confident0 Ų084.5 Ų84.50%045%0.446CS..EExtended strand (participates in β ladder)trans-86.1123.8169.4-56.4-178.9000107.7L20 V21 I22 V63 H64 L75 L76 L79I11-L20 HydrophobicContact CG2-CB 4.37Å; I11-V21 CarbonylContact C-O 3.59Å; I11-V21 WeakPolarHBondContact CA-O 3.5Å; I11-I22 HydrophobicContact CG1-CG1 4.22Å; I11-V63 HydrophobicContact CB-CB 4.43Å; I11-V63 HydrophobicContact CG2-CB 4.21Å; I11-V63 WeakPolarHBondContact O-CB 3.47Å; I11-V63 PolarHBondContact O-N 3.43Å; I11-H64 PolarHBondContact N-O 2.9Å; I11-H64 PolarHBondContact O-N 3.4Å; I11-L75 HydrophobicContact CD1-CB 3.85Å; I11-L75 HydrophobicContact CD1-CD2 3.65Å; I11-L75 HydrophobicContact CD1-CG 3.68Å; I11-L76 HydrophobicContact CD1-CB 4.45Å; I11-L76 HydrophobicContact CG2-CD1 4.35Å; I11-L79 HydrophobicContact CD1-CD1 4.23Å; I11-L79 HydrophobicContact CG2-CD1 4.28Å
12L93Very high78.2Confident0 Ų073.3 Ų73.30%039%0.39CS..EExtended strand (participates in β ladder)trans-116.1140.1-175.3-59.7176000110V10 L20 V21 A23 V28 C34 C60 S61 I62V10-L12 HydrophobicContact CB-CD2 4.36Å; V10-L12 HydrophobicContact CG1-CD2 3.67Å; V10-L12 HydrophobicContact CG1-CG 4.33Å; L12-L20 CarbonylContact O-C 3.31Å; L12-L20 WeakPolarHBondContact O-CA 3.43Å; L12-V21 PolarHBondContact N-O 3.25Å; L12-V21 PolarHBondContact O-N 3.15Å; L12-A23 HydrophobicContact CD1-CB 3.7Å; L12-V28 HydrophobicContact CD1-CG2 4.06Å; L12-V28 HydrophobicContact CD2-CG2 4.13Å; L12-C34 HydrophobicContact CD1-CB 3.62Å; L12-C34 VanDerWaalsContact CD1-SG 3.54Å; L12-C60 HydrophobicContact CB-CB 4.25Å; L12-S61 WeakPolarHBondContact CA-O 3.49Å; L12-I62 HydrophobicContact CD2-CG1 3.89Å
13K91.5Very high80.5Confident45 Ų4563.4 Ų63.420%0.19635%0.348CS..EExtended strand (participates in β ladder)trans-98.8124.1165.7-174.1176.1-178.7179.10109L20 C60 S61 V63K13-L20 HydrophobicContact CB-CD2 3.9Å; K13-L20 HydrophobicContact CG-CD2 4.2Å; K13-C60 CarbonylContact O-C 3.57Å; K13-C60 WeakPolarHBondContact O-CA 3.47Å; K13-C60 WeakPolarHBondContact O-CB 3.38Å; K13-S61 PolarHBondContact N-O 3.37Å; K13-S61 PolarHBondContact O-N 2.82Å; K13-V63 HydrophobicContact CB-CG2 3.77Å
14K90.4Very high82.6Confident49 Ų4954.6 Ų54.621%0.21331%0.307CS..EExtended strand (participates in β ladder)trans-74.8130.1177.4179.7159-179.5169.30110.1G16 K17 N19 F58K14-G16 PolarHBondContact O-N 2.88Å; K14-K17 HydrophobicContact CB-CB 4.35Å; K14-K17 HydrophobicContact CD-CD 4.15Å; K14-K17 HydrophobicContact CG-CB 4.34Å; K14-K17 HydrophobicContact CG-CG 4.44Å; K14-K17 PolarHBondContact O-N 3.16Å; K14-K17 VanDerWaalsContact O-N 3.16Å; K14-N19 PolarHBondContact N-O 3.3Å; K14-F58 HydrophobicContact CB-CD2 4.12Å; K14-F58 HydrophobicContact CB-CE2 4.04Å; K14-F58 HydrophobicContact CD-CD2 3.84Å; K14-F58 HydrophobicContact CD-CE2 4.19Å; K14-F58 HydrophobicContact CD-CG 4.33Å; K14-F58 HydrophobicContact CG-CD2 3.71Å; K14-F58 HydrophobicContact CG-CE2 4.12Å
15Q86.5Confident84.5Confident132 Ų13251.4 Ų51.462%0.61729%0.288SS*.THydrogen-bonded Turntrans-63.6132.9179.6-165.317519.700110.6K17 K59Q15-K17 PolarHBondContact O-N 3.4Å; Q15-K59 HydrophobicContact CB-CB 4Å; Q15-K59 WeakPolarHBondContact CB-O 2.85Å; Q15-K59 PolarHBondContact N-O 3.13Å
16G84.1Confident86.1Confident84 Ų8452.9 Ų52.987%0.86629%0.291SS*.THydrogen-bonded Turntrans75.74.4-178.300000115.1K14K14-G16 PolarHBondContact O-N 2.88Å
17K80Confident87.4Confident118 Ų11848 Ų4851%0.51326%0.264SS..SBendtrans-129.9147.5171.8-60-165.1177.7-1630109.7K14 Q15 N19K14-K17 HydrophobicContact CB-CB 4.35Å; K14-K17 HydrophobicContact CD-CD 4.15Å; K14-K17 HydrophobicContact CG-CB 4.34Å; K14-K17 HydrophobicContact CG-CG 4.44Å; K14-K17 PolarHBondContact O-N 3.16Å; K14-K17 VanDerWaalsContact O-N 3.16Å; Q15-K17 PolarHBondContact O-N 3.4Å; K17-N19 PolarHBondContact O-N 3.47Å
18S79.1Confident88.5Confident71 Ų7146.5 Ų46.550%0.49726%0.257SS..  trans-76.6-3.6172.645.60000112.9
19N85.1Confident88.8Confident97 Ų9744.3 Ų44.352%0.51925%0.25SC..  trans-75.4130.3-175.1-59.25.7000111.7K14 K17K14-N19 PolarHBondContact N-O 3.3Å; K17-N19 PolarHBondContact O-N 3.47Å
20L90.5Very high88.7Confident13 Ų1349.8 Ų49.87%0.06828%0.277CS..EExtended strand (participates in β ladder)trans-93.1145.9168.9-62.2179000110.5I11 L12 K13 V63 L76 L79 Y83I11-L20 HydrophobicContact CG2-CB 4.37Å; L12-L20 CarbonylContact O-C 3.31Å; L12-L20 WeakPolarHBondContact O-CA 3.43Å; K13-L20 HydrophobicContact CB-CD2 3.9Å; K13-L20 HydrophobicContact CG-CD2 4.2Å; L20-V63 HydrophobicContact CD2-CG2 4.01Å; L20-L76 HydrophobicContact CB-CD1 3.35Å; L20-L76 HydrophobicContact CD1-CD1 4.24Å; L20-L76 HydrophobicContact CG-CD1 4.47Å; L20-L79 HydrophobicContact CD1-CB 3.43Å; L20-L79 VanDerWaalsContact CD1-CB 3.43Å; L20-L79 HydrophobicContact CD1-CD1 3.89Å; L20-L79 HydrophobicContact CD1-CG 4.28Å; L20-Y83 HydrophobicContact CD1-CD2 3.79Å; L20-Y83 HydrophobicContact CD1-CE2 3.76Å; L20-Y83 HydrophobicContact CD2-CE2 4.26Å; L20-Y83 HydrophobicContact CG-CD2 4.32Å; L20-Y83 HydrophobicContact CG-CE2 4.22Å
21V91.2Very high88.6Confident17 Ų1754.9 Ų54.910%0.10330%0.3CS..EExtended strand (participates in β ladder)trans-139.2144-176.9177.50000109.7I11 L12 L43I11-V21 CarbonylContact C-O 3.59Å; I11-V21 WeakPolarHBondContact CA-O 3.5Å; L12-V21 PolarHBondContact N-O 3.25Å; L12-V21 PolarHBondContact O-N 3.15Å; V21-L43 HydrophobicContact CG1-CB 3.3Å; V21-L43 HydrophobicContact CG1-CD1 4.26Å; V21-L43 HydrophobicContact CG1-CD2 3.84Å; V21-L43 HydrophobicContact CG1-CG 3.98Å; V21-L43 HydrophobicContact CG2-CD1 4.19Å
22I92.4Very high88.5Confident5 Ų561.9 Ų61.93%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-95.3132.4169.8-65.4160.4000108.9Y9 V10 I11 L69 A72 N73 L76Y9-I22 HydrophobicContact CD1-CG2 4.2Å; V10-I22 WeakPolarHBondContact O-CA 3.42Å; I11-I22 HydrophobicContact CG1-CG1 4.22Å; I22-L69 HydrophobicContact CG2-CD1 4.11Å; I22-A72 HydrophobicContact CD1-CB 3.92Å; I22-A72 WeakPolarHBondContact CD1-O 3.41Å; I22-A72 HydrophobicContact CG1-CB 4.13Å; I22-A72 HydrophobicContact CG2-CB 4.07Å; I22-N73 WeakPolarHBondContact CD1-OD1 3.48Å; I22-L76 HydrophobicContact CD1-CB 3.86Å; I22-L76 HydrophobicContact CD1-CD2 3.58Å; I22-L76 HydrophobicContact CD1-CG 4.3Å; I22-L76 HydrophobicContact CG1-CB 4.25Å; I22-L76 HydrophobicContact CG1-CD2 3.93Å
23A90.9Very high88.5Confident1 Ų166.9 Ų66.91%0.00835%0.349CS..EExtended strand (participates in β ladder)trans-130.7156.1170.600000110.6Y9 V10 L12 L45Y9-A23 CarbonylContact C-O 3.58Å; Y9-A23 WeakPolarHBondContact CA-O 3.49Å; V10-A23 PolarHBondContact N-O 2.93Å; V10-A23 PolarHBondContact O-N 3.45Å; L12-A23 HydrophobicContact CD1-CB 3.7Å; A23-L45 HydrophobicContact CB-CD1 4.08Å
24S89.5Confident88.5Confident1 Ų164.8 Ų64.81%0.00734%0.34CS..EExtended strand (participates in β ladder)trans-64.7139163.1171.70000110K8 L26 W27 L45 N47K8-S24 CarbonylContact O-C 3.57Å; K8-S24 VanDerWaalsContact O-CA 3.23Å; K8-S24 WeakPolarHBondContact O-CA 3.46Å; K8-S24 PolarHBondContact O-OG 3.5Å; S24-L26 PolarHBondContact O-N 3.25Å; S24-L26 VanDerWaalsContact O-N 3.08Å; S24-L26 PolarHBondContact OG-N 3.11Å; S24-W27 PolarHBondContact O-N 3.33Å; S24-L45 PolarHBondContact N-O 3.04Å; S24-N47 VanDerWaalsContact CB-OD1 3.32Å; S24-N47 WeakPolarHBondContact CB-OD1 3.31Å; S24-N47 PolarHBondContact OG-OD1 2.93Å
25G88.8Confident88.5Confident25 Ų2564.5 Ų64.526%0.25834%0.341SS..G310 helixtrans-58.1-23.2179.200000113.4K8 W27 V28K8-G25 PolarHBondContact O-N 3.46Å; G25-W27 PolarHBondContact O-N 3.39Å; G25-V28 PolarHBondContact O-N 3.43Å
26L87Confident88.5Confident112 Ų11260.6 Ų60.659%0.58632%0.321SS*.G310 helixtrans-66.2-23175.9-62.8174.3000113.4S24S24-L26 PolarHBondContact O-N 3.25Å; S24-L26 VanDerWaalsContact O-N 3.08Å; S24-L26 PolarHBondContact OG-N 3.11Å
27W88.6Confident88.5Confident29 Ų2957.4 Ų57.411%0.1129%0.285CS..G310 helixtrans-94.51.6-178.8-55.5123.4000113.5S24 G25 C34 L35 L45 Q46 D49 P51 W55S24-W27 PolarHBondContact O-N 3.33Å; G25-W27 PolarHBondContact O-N 3.39Å; W27-C34 WeakPolarHBondContact O-CA 3.47Å; W27-L35 PolarHBondContact O-N 3Å; W27-L45 HydrophobicContact CB-CD1 4.41Å; W27-L45 HydrophobicContact CG-CD1 4.5Å; W27-L45 HydrophobicContact CG-CD2 4.41Å; W27-Q46 PolarHBondContact NE1-O 3.43Å; W27-D49 WeakPolarHBondContact CH2-O 3.44Å; W27-D49 WeakPolarHBondContact CZ2-O 3.45Å; W27-P51 HydrophobicContact CZ3-CG 4.26Å; W27-W55 AromaticContact CD2-CH2 3.89Å; W27-W55 HydrophobicContact CD2-CH2 3.89Å; W27-W55 AromaticContact CD2-CZ3 3.85Å; W27-W55 HydrophobicContact CD2-CZ3 3.85Å; W27-W55 AromaticContact CE2-CH2 3.8Å; W27-W55 AromaticContact CE3-CH2 3.84Å; W27-W55 HydrophobicContact CE3-CH2 3.84Å; W27-W55 AromaticContact CE3-CZ3 3.65Å; W27-W55 HydrophobicContact CE3-CZ3 3.65Å; W27-W55 HydrophobicContact CG-CZ3 4.45Å; W27-W55 AromaticContact CH2-CH2 3.73Å; W27-W55 HydrophobicContact CH2-CH2 3.73Å; W27-W55 HydrophobicContact CH2-CZ2 4.42Å; W27-W55 HydrophobicContact CH2-CZ3 4.36Å; W27-W55 AromaticContact CZ2-CH2 3.75Å; W27-W55 HydrophobicContact CZ2-CH2 3.75Å; W27-W55 AromaticContact CZ3-CH2 3.76Å; W27-W55 HydrophobicContact CZ3-CH2 3.76Å; W27-W55 AromaticContact CZ3-CZ3 3.92Å; W27-W55 HydrophobicContact CZ3-CZ3 3.92Å
28V90.6Very high88.5Confident25 Ų2560 Ų6015%0.15229%0.292CS..EExtended strand (participates in β ladder)trans-97.5118.6178.9-174.40000109.1V10 L12 G25 R33 I62V10-V28 HydrophobicContact CB-CG2 4.48Å; L12-V28 HydrophobicContact CD1-CG2 4.06Å; L12-V28 HydrophobicContact CD2-CG2 4.13Å; G25-V28 PolarHBondContact O-N 3.43Å; V28-R33 CarbonylContact C-O 3.6Å; V28-R33 WeakPolarHBondContact CA-O 3.31Å; V28-I62 HydrophobicContact CG1-CD1 4.16Å; V28-I62 HydrophobicContact CG1-CG1 4.39Å
29I89.6Confident88.5Confident66 Ų6664.1 Ų64.134%0.33830%0.3SS..EExtended strand (participates in β ladder)trans-103.9124.3-178.6-58.4172.9000108.7E31 K32 R33 L35I29-E31 PolarHBondContact O-N 3.15Å; I29-K32 PolarHBondContact O-N 2.76Å; I29-K32 VanDerWaalsContact O-N 3.16Å; I29-R33 HydrophobicContact CB-CB 4.44Å; I29-R33 PolarHBondContact N-O 3.19Å; I29-R33 PolarHBondContact O-N 3.14Å; I29-R33 VanDerWaalsContact O-N 3.08Å; I29-L35 HydrophobicContact CD1-CD1 3.72Å; I29-L35 HydrophobicContact CD1-CD2 4.47Å; I29-L35 HydrophobicContact CD1-CG 3.8Å
30E90.2Very high87.5Confident151 Ų15163.8 Ų63.871%0.70630%0.299SS*.THydrogen-bonded Turntrans52.526.7176.5-62.1175171.900114.1K32E30-K32 WeakPolarHBondContact O-CG 3.43Å; E30-K32 PolarHBondContact O-N 3.35Å
31E88.5Confident85.9Confident112 Ų11270.5 Ų70.552%0.52333%0.333SS..THydrogen-bonded Turntrans56.110.8-176.7-52.8-164.4141.600115.4I29 I62 K65I29-E31 PolarHBondContact O-N 3.15Å; E31-I62 HydrophobicContact CB-CD1 3.63Å; E31-I62 HydrophobicContact CB-CG1 4.29Å; E31-I62 HydrophobicContact CG-CD1 3.63Å; E31-K65 IonicContact OE1-NZ 2.79Å; E31-K65 PolarHBondContact OE1-NZ 3.41Å
32K91.8Very high84.4Confident146 Ų14676.2 Ų76.264%0.63536%0.363SS*.THydrogen-bonded Turntrans-124.1-16.6-173.6-72.2175.8-177.31770113.4I29 E30 K59 C60I29-K32 PolarHBondContact O-N 2.76Å; I29-K32 VanDerWaalsContact O-N 3.16Å; E30-K32 WeakPolarHBondContact O-CG 3.43Å; E30-K32 PolarHBondContact O-N 3.35Å; K32-K59 WeakPolarHBondContact O-CA 3.49Å; K32-C60 CarbonylContact C-O 3.56Å; K32-C60 VanDerWaalsContact C-O 3.31Å; K32-C60 WeakPolarHBondContact CA-O 3.3Å; K32-C60 PolarHBondContact O-N 3.29Å; K32-C60 VanDerWaalsContact O-O 3.04Å
33R92.3Very high82.9Confident106 Ų10678.2 Ų78.240%0.437%0.374SS..EExtended strand (participates in β ladder)trans-136.6149.7-176.8-54.9-174.5-169-151.22.4110.4V28 I29 M57 F58 C60V28-R33 CarbonylContact C-O 3.6Å; V28-R33 WeakPolarHBondContact CA-O 3.31Å; I29-R33 HydrophobicContact CB-CB 4.44Å; I29-R33 PolarHBondContact N-O 3.19Å; I29-R33 PolarHBondContact O-N 3.14Å; I29-R33 VanDerWaalsContact O-N 3.08Å; R33-M57 HydrophobicContact CB-CG 4.02Å; R33-M57 HydrophobicContact CB-SD 3.86Å; R33-M57 WeakPolarHBondContact CD-SD 3.49Å; R33-M57 HydrophobicContact CG-SD 4.25Å; R33-F58 VanDerWaalsContact CA-O 3.29Å; R33-F58 WeakPolarHBondContact CA-O 3.37Å; R33-C60 VanDerWaalsContact C-SG 3.53Å
34C91.2Very high81.5Confident0 Ų082.7 Ų82.70%039%0.394CS..EExtended strand (participates in β ladder)trans-132.1134.7175.9-179.20000110.6L12 W27 M57 F58L12-C34 HydrophobicContact CD1-CB 3.62Å; L12-C34 VanDerWaalsContact CD1-SG 3.54Å; W27-C34 WeakPolarHBondContact O-CA 3.47Å; C34-M57 WeakPolarHBondContact O-CA 3.35Å; C34-F58 HydrophobicContact CB-CD1 4.28Å; C34-F58 HydrophobicContact CB-CE1 3.71Å; C34-F58 HydrophobicContact CB-CE2 4.28Å; C34-F58 HydrophobicContact CB-CZ 3.71Å; C34-F58 PolarHBondContact N-O 3.45Å; C34-F58 WeakPolarHBondContact O-CD1 3.42Å; C34-F58 PolarHBondContact O-N 3.24Å
35L90.1Very high80.2Confident43 Ų4382.9 Ų82.923%0.22540%0.395CS..EExtended strand (participates in β ladder)trans-87.1137.1172.9-74.8177.2000110.3W27 I29 L45 W55 S56 M57W27-L35 PolarHBondContact O-N 3Å; I29-L35 HydrophobicContact CD1-CD1 3.72Å; I29-L35 HydrophobicContact CD1-CD2 4.47Å; I29-L35 HydrophobicContact CD1-CG 3.8Å; L35-L45 WeakPolarHBondContact O-CD1 3.41Å; L35-W55 HydrophobicContact CB-CE3 3.88Å; L35-W55 HydrophobicContact CB-CZ3 4.03Å; L35-S56 WeakPolarHBondContact CA-O 3.24Å; L35-M57 HydrophobicContact CD2-CB 4.05Å; L35-M57 HydrophobicContact CD2-CG 4.35Å
36Y87.1Confident78.9Confident50 Ų5086.7 Ų86.720%0.19641%0.406CS..EExtended strand (participates in β ladder)trans-148148.617870.3-71.1000112.5L43 W55 S56 F58Y36-L43 HydrophobicContact CD2-CD2 4.11Å; Y36-L43 HydrophobicContact CG-CD2 3.99Å; Y36-W55 CarbonylContact O-C 3.54Å; Y36-W55 WeakPolarHBondContact O-CA 3.46Å; Y36-S56 WeakPolarHBondContact CD1-O 3.5Å; Y36-S56 VanDerWaalsContact CE1-C 3.5Å; Y36-S56 WeakPolarHBondContact CE1-O 3.36Å; Y36-S56 PolarHBondContact N-O 2.92Å; Y36-S56 PolarHBondContact O-N 3.28Å; Y36-F58 AromaticContact CD1-CD1 3.31Å; Y36-F58 HydrophobicContact CD1-CD1 3.31Å; Y36-F58 AromaticContact CD1-CE1 3.66Å; Y36-F58 HydrophobicContact CD1-CE1 3.66Å; Y36-F58 HydrophobicContact CE1-CB 4.26Å; Y36-F58 AromaticContact CE1-CD1 3.4Å; Y36-F58 HydrophobicContact CE1-CD1 3.4Å; Y36-F58 VanDerWaalsContact CE1-CD1 3.4Å; Y36-F58 HydrophobicContact CE1-CE1 4.16Å; Y36-F58 HydrophobicContact CE1-CG 4.27Å; Y36-F58 HydrophobicContact CG-CD1 4.22Å; Y36-F58 HydrophobicContact CG-CE1 4.17Å
37P84Confident77.7Confident18 Ų1884.6 Ų84.612%0.11740%0.396CS..EExtended strand (participates in β ladder)trans-68.5131.5172.526.1-34000110.9K39 N40 L45P37-K39 PolarHBondContact O-N 3.4Å; P37-N40 HydrophobicContact CG-CB 4.03Å; P37-L45 HydrophobicContact CG-CD2 4.13Å
38R80.8Confident76.3Confident172 Ų17289.9 Ų89.965%0.64943%0.426SS*.THydrogen-bonded Turntrans-66.4-25.4-178.8-169.8-178.8-74.6167.1-3.2113.1N54 S56R38-N54 WeakPolarHBondContact CB-O 3.48Å; R38-N54 PolarHBondContact N-O 3.44Å; R38-S56 PolarHBondContact NE-OG 2.98Å; R38-S56 VanDerWaalsContact NE-OG 3.1Å; R38-S56 PolarHBondContact NH2-OG 3.42Å
39K77.9Confident75Confident157 Ų15792 Ų9268%0.68344%0.437SS*.THydrogen-bonded Turntrans-87.8-18.5-175.5-66.4-176.8-179.5175.90114.2P37P37-K39 PolarHBondContact O-N 3.4Å
40N64.6Low73.9Confident90 Ų9095.7 Ų95.748%0.48146%0.456SS..  trans-98.1109.7175.9-72.4-21.9000109.4P37 D42P37-N40 HydrophobicContact CG-CB 4.03Å; N40-D42 VanDerWaalsContact C-N 3.31Å
41I57.7Low72.8Confident154 Ų15492.2 Ų92.279%0.7945%0.446SS*.SBendtrans-73.9-31.3175.9-51.3173.7000109.6L43I41-L43 PolarHBondContact O-N 3.47Å
42D58.6Low72Confident137 Ų13793.2 Ų93.273%0.73345%0.451SS*.SBendtrans-85.399.2173-70.1-34.2000109.9N40 H44N40-D42 VanDerWaalsContact C-N 3.31Å; D42-H44 PolarHBondContact O-N 3.01Å
43L61.8Low71.3Confident48 Ų4894.2 Ų94.225%0.25146%0.464SS..  trans-69.831.9-172-84.6119.7000114.8V21 Y36 I41 L45 F58V21-L43 HydrophobicContact CG1-CB 3.3Å; V21-L43 HydrophobicContact CG1-CD1 4.26Å; V21-L43 HydrophobicContact CG1-CD2 3.84Å; V21-L43 HydrophobicContact CG1-CG 3.98Å; V21-L43 HydrophobicContact CG2-CD1 4.19Å; Y36-L43 HydrophobicContact CD2-CD2 4.11Å; Y36-L43 HydrophobicContact CG-CD2 3.99Å; I41-L43 PolarHBondContact O-N 3.47Å; L43-L45 PolarHBondContact O-N 3.15Å; L43-F58 HydrophobicContact CD2-CE1 4.06Å; L43-F58 HydrophobicContact CD2-CZ 4.39Å
44H60.8Low70.7Confident95 Ų9592.2 Ų92.244%0.4446%0.461SS..  trans-75.477.3168-72.1-66.1000110.2D42 Q46 N73D42-H44 PolarHBondContact O-N 3.01Å; H44-Q46 PolarHBondContact O-N 2.94Å; H44-N73 PolarHBondContact CE1-OD1 3.36Å
45L62.3Low70.6Confident4 Ų493.8 Ų93.82%0.02147%0.467CS..BIsolated β-bridgetrans-67.197.9173.9-86.2162.1000110.2A23 S24 W27 L35 P37 L43 W55A23-L45 HydrophobicContact CB-CD1 4.08Å; S24-L45 PolarHBondContact N-O 3.04Å; W27-L45 HydrophobicContact CB-CD1 4.41Å; W27-L45 HydrophobicContact CG-CD1 4.5Å; W27-L45 HydrophobicContact CG-CD2 4.41Å; L35-L45 WeakPolarHBondContact O-CD1 3.41Å; P37-L45 HydrophobicContact CG-CD2 4.13Å; L43-L45 PolarHBondContact O-N 3.15Å; L45-W55 HydrophobicContact CD2-CH2 3.79Å; L45-W55 HydrophobicContact CD2-CZ3 3.81Å
46Q62.8Low70.6Confident105 Ų10592.8 Ų92.849%0.49146%0.463SS..  trans-84.2165.9173.5-63.3-168.85.500111W27 H44 N48W27-Q46 PolarHBondContact NE1-O 3.43Å; H44-Q46 PolarHBondContact O-N 2.94Å; Q46-N48 PolarHBondContact O-N 2.95Å
47N60.9Low70.8Confident69 Ų6994.8 Ų94.837%0.36948%0.475SS..THydrogen-bonded Turntrans-68.5-12.8-171.1-73.8-18.9000115S24S24-N47 VanDerWaalsContact CB-OD1 3.32Å; S24-N47 WeakPolarHBondContact CB-OD1 3.31Å; S24-N47 PolarHBondContact OG-OD1 2.93Å
48N58.2Low71.1Confident139 Ų13994.7 Ų94.774%0.74347%0.473SS*.THydrogen-bonded Turntrans-97.7-5.4-163.8-64.6-20.1000114.6Q46Q46-N48 PolarHBondContact O-N 2.95Å
49D63.6Low71.7Confident71 Ų7192.4 Ų92.438%0.3847%0.468SS..  trans-87.7115.5-177.7-59-34.7000109.6W27 W55W27-D49 WeakPolarHBondContact CH2-O 3.44Å; W27-D49 WeakPolarHBondContact CZ2-O 3.45Å; D49-W55 HydrophobicContact CB-CH2 4.25Å; D49-W55 HydrophobicContact CB-CZ2 3.69Å; D49-W55 WeakPolarHBondContact O-CZ2 3.29Å
50L66.9Low72.5Confident143 Ų14385.4 Ų85.475%0.74944%0.439SS*.  trans-69.2145.3169.1-91.2101.1000110.4E52 W55L50-E52 PolarHBondContact O-N 2.74Å; L50-W55 WeakPolarHBondContact O-CZ2 3.45Å; L50-W55 PolarHBondContact O-NE1 3.27Å; L50-W55 VanDerWaalsContact O-NE1 3.16Å
51P66.3Low73.9Confident77 Ų7784 Ų8450%0.544%0.436SS..  trans-67.799.7172.227.9-31.3000110.6W27 W55W27-P51 HydrophobicContact CZ3-CG 4.26Å; P51-W55 VanDerWaalsContact CA-CE2 3.48Å; P51-W55 HydrophobicContact CB-CD2 4.06Å; P51-W55 HydrophobicContact CB-CE3 4.41Å; P51-W55 HydrophobicContact CB-CG 4.24Å
52E72.1Confident75.5Confident134 Ų13478.9 Ų78.963%0.62641%0.41SS*.  trans-87.7177.5168.6-65.5-174.2172.500111.5L50 N54 W55L50-E52 PolarHBondContact O-N 2.74Å; E52-N54 PolarHBondContact O-N 2.99Å; E52-W55 PolarHBondContact O-N 3.49Å
53D76.6Confident77.1Confident167 Ų16773.9 Ų73.989%0.89338%0.384SS*.THydrogen-bonded Turntrans-58.1-12.1176.8-64.9-30.5000114.2W55D53-W55 VanDerWaalsContact C-N 3.3Å; D53-W55 PolarHBondContact O-N 3.37Å
54N81.5Confident78.6Confident64 Ų6475.2 Ų75.234%0.34239%0.389SS..THydrogen-bonded Turntrans-87.811-179.9-67-53.7000114.2R38 E52R38-N54 WeakPolarHBondContact CB-O 3.48Å; R38-N54 PolarHBondContact N-O 3.44Å; E52-N54 PolarHBondContact O-N 2.99Å
55W87.9Confident80.2Confident33 Ų3374.6 Ų74.613%0.12539%0.385CS..EExtended strand (participates in β ladder)trans-91.8157.1-178.6-73.560.5000112.2W27 L35 Y36 L45 D49 L50 P51 E52 D53W27-W55 AromaticContact CD2-CH2 3.89Å; W27-W55 HydrophobicContact CD2-CH2 3.89Å; W27-W55 AromaticContact CD2-CZ3 3.85Å; W27-W55 HydrophobicContact CD2-CZ3 3.85Å; W27-W55 AromaticContact CE2-CH2 3.8Å; W27-W55 AromaticContact CE3-CH2 3.84Å; W27-W55 HydrophobicContact CE3-CH2 3.84Å; W27-W55 AromaticContact CE3-CZ3 3.65Å; W27-W55 HydrophobicContact CE3-CZ3 3.65Å; W27-W55 HydrophobicContact CG-CZ3 4.45Å; W27-W55 AromaticContact CH2-CH2 3.73Å; W27-W55 HydrophobicContact CH2-CH2 3.73Å; W27-W55 HydrophobicContact CH2-CZ2 4.42Å; W27-W55 HydrophobicContact CH2-CZ3 4.36Å; W27-W55 AromaticContact CZ2-CH2 3.75Å; W27-W55 HydrophobicContact CZ2-CH2 3.75Å; W27-W55 AromaticContact CZ3-CH2 3.76Å; W27-W55 HydrophobicContact CZ3-CH2 3.76Å; W27-W55 AromaticContact CZ3-CZ3 3.92Å; W27-W55 HydrophobicContact CZ3-CZ3 3.92Å; L35-W55 HydrophobicContact CB-CE3 3.88Å; L35-W55 HydrophobicContact CB-CZ3 4.03Å; Y36-W55 CarbonylContact O-C 3.54Å; Y36-W55 WeakPolarHBondContact O-CA 3.46Å; L45-W55 HydrophobicContact CD2-CH2 3.79Å; L45-W55 HydrophobicContact CD2-CZ3 3.81Å; D49-W55 HydrophobicContact CB-CH2 4.25Å; D49-W55 HydrophobicContact CB-CZ2 3.69Å; D49-W55 WeakPolarHBondContact O-CZ2 3.29Å; L50-W55 WeakPolarHBondContact O-CZ2 3.45Å; L50-W55 PolarHBondContact O-NE1 3.27Å; L50-W55 VanDerWaalsContact O-NE1 3.16Å; P51-W55 VanDerWaalsContact CA-CE2 3.48Å; P51-W55 HydrophobicContact CB-CD2 4.06Å; P51-W55 HydrophobicContact CB-CE3 4.41Å; P51-W55 HydrophobicContact CB-CG 4.24Å; E52-W55 PolarHBondContact O-N 3.49Å; D53-W55 VanDerWaalsContact C-N 3.3Å; D53-W55 PolarHBondContact O-N 3.37Å
56S89.7Confident81.5Confident21 Ų2174.8 Ų74.815%0.14739%0.386CS..EExtended strand (participates in β ladder)trans-139.1163177.2-70.20000109L35 Y36 R38L35-S56 WeakPolarHBondContact CA-O 3.24Å; Y36-S56 WeakPolarHBondContact CD1-O 3.5Å; Y36-S56 VanDerWaalsContact CE1-C 3.5Å; Y36-S56 WeakPolarHBondContact CE1-O 3.36Å; Y36-S56 PolarHBondContact N-O 2.92Å; Y36-S56 PolarHBondContact O-N 3.28Å; R38-S56 PolarHBondContact NE-OG 2.98Å; R38-S56 VanDerWaalsContact NE-OG 3.1Å; R38-S56 PolarHBondContact NH2-OG 3.42Å
57M91.2Very high82.9Confident92 Ų9276.9 Ų76.945%0.45340%0.396SS..EExtended strand (participates in β ladder)trans-124.7142.8-177.9-174.1173.551.200109.3R33 C34 L35R33-M57 HydrophobicContact CB-CG 4.02Å; R33-M57 HydrophobicContact CB-SD 3.86Å; R33-M57 WeakPolarHBondContact CD-SD 3.49Å; R33-M57 HydrophobicContact CG-SD 4.25Å; C34-M57 WeakPolarHBondContact O-CA 3.35Å; L35-M57 HydrophobicContact CD2-CB 4.05Å; L35-M57 HydrophobicContact CD2-CG 4.35Å
58F91Very high84.3Confident17 Ų1775.7 Ų75.78%0.07539%0.393CS..EExtended strand (participates in β ladder)trans-132.6157170.266.5-79.7000111.1K14 R33 C34 Y36 L43 C60K14-F58 HydrophobicContact CB-CD2 4.12Å; K14-F58 HydrophobicContact CB-CE2 4.04Å; K14-F58 HydrophobicContact CD-CD2 3.84Å; K14-F58 HydrophobicContact CD-CE2 4.19Å; K14-F58 HydrophobicContact CD-CG 4.33Å; K14-F58 HydrophobicContact CG-CD2 3.71Å; K14-F58 HydrophobicContact CG-CE2 4.12Å; R33-F58 VanDerWaalsContact CA-O 3.29Å; R33-F58 WeakPolarHBondContact CA-O 3.37Å; C34-F58 HydrophobicContact CB-CD1 4.28Å; C34-F58 HydrophobicContact CB-CE1 3.71Å; C34-F58 HydrophobicContact CB-CE2 4.28Å; C34-F58 HydrophobicContact CB-CZ 3.71Å; C34-F58 PolarHBondContact N-O 3.45Å; C34-F58 WeakPolarHBondContact O-CD1 3.42Å; C34-F58 PolarHBondContact O-N 3.24Å; Y36-F58 AromaticContact CD1-CD1 3.31Å; Y36-F58 HydrophobicContact CD1-CD1 3.31Å; Y36-F58 AromaticContact CD1-CE1 3.66Å; Y36-F58 HydrophobicContact CD1-CE1 3.66Å; Y36-F58 HydrophobicContact CE1-CB 4.26Å; Y36-F58 AromaticContact CE1-CD1 3.4Å; Y36-F58 HydrophobicContact CE1-CD1 3.4Å; Y36-F58 VanDerWaalsContact CE1-CD1 3.4Å; Y36-F58 HydrophobicContact CE1-CE1 4.16Å; Y36-F58 HydrophobicContact CE1-CG 4.27Å; Y36-F58 HydrophobicContact CG-CD1 4.22Å; Y36-F58 HydrophobicContact CG-CE1 4.17Å; L43-F58 HydrophobicContact CD2-CE1 4.06Å; L43-F58 HydrophobicContact CD2-CZ 4.39Å; F58-C60 HydrophobicContact CD2-CB 4.06Å; F58-C60 HydrophobicContact CE2-CB 3.73Å
59K94.3Very high85.8Confident124 Ų12471.2 Ų71.254%0.53937%0.369SS..EExtended strand (participates in β ladder)trans-79.2135.1172.2-66.3-176.3-178.8177.90110Q15 K32Q15-K59 HydrophobicContact CB-CB 4Å; Q15-K59 WeakPolarHBondContact CB-O 2.85Å; Q15-K59 PolarHBondContact N-O 3.13Å; K32-K59 WeakPolarHBondContact O-CA 3.49Å
60C92.8Very high87.1Confident10 Ų1074.6 Ų74.67%0.06838%0.38CS..EExtended strand (participates in β ladder)trans-147.6162.9-178.258.90000111.4L12 K13 K32 R33 F58L12-C60 HydrophobicContact CB-CB 4.25Å; K13-C60 CarbonylContact O-C 3.57Å; K13-C60 WeakPolarHBondContact O-CA 3.47Å; K13-C60 WeakPolarHBondContact O-CB 3.38Å; K32-C60 CarbonylContact C-O 3.56Å; K32-C60 VanDerWaalsContact C-O 3.31Å; K32-C60 WeakPolarHBondContact CA-O 3.3Å; K32-C60 PolarHBondContact O-N 3.29Å; K32-C60 VanDerWaalsContact O-O 3.04Å; R33-C60 VanDerWaalsContact C-SG 3.53Å; F58-C60 HydrophobicContact CD2-CB 4.06Å; F58-C60 HydrophobicContact CE2-CB 3.73Å
61S93.9Very high88.3Confident59 Ų5970.6 Ų70.641%0.41336%0.364SS..EExtended strand (participates in β ladder)trans-116145.8163.955.10000110.1L12 K13L12-S61 WeakPolarHBondContact CA-O 3.49Å; K13-S61 PolarHBondContact N-O 3.37Å; K13-S61 PolarHBondContact O-N 2.82Å
62I92.7Very high89.6Confident48 Ų4866.9 Ų66.925%0.24634%0.34CS..EExtended strand (participates in β ladder)trans-75.3124173.8-62.2-178.1000108.6V10 L12 V28 E31 K65V10-I62 HydrophobicContact CG1-CB 4.22Å; V10-I62 HydrophobicContact CG1-CD1 4.23Å; V10-I62 HydrophobicContact CG1-CG1 3.95Å; V10-I62 HydrophobicContact CG1-CG2 3.55Å; L12-I62 HydrophobicContact CD2-CG1 3.89Å; V28-I62 HydrophobicContact CG1-CD1 4.16Å; V28-I62 HydrophobicContact CG1-CG1 4.39Å; E31-I62 HydrophobicContact CB-CD1 3.63Å; E31-I62 HydrophobicContact CB-CG1 4.29Å; E31-I62 HydrophobicContact CG-CD1 3.63Å; I62-K65 HydrophobicContact CG2-CG 4.14Å
63V92Very high90.5Very high32 Ų3263.5 Ų63.519%0.19433%0.326CS..EExtended strand (participates in β ladder)trans-92.3-50.4174.4176.60000110.1I11 K13 L20 L79 F170I11-V63 HydrophobicContact CB-CB 4.43Å; I11-V63 HydrophobicContact CG2-CB 4.21Å; I11-V63 WeakPolarHBondContact O-CB 3.47Å; I11-V63 PolarHBondContact O-N 3.43Å; K13-V63 HydrophobicContact CB-CG2 3.77Å; L20-V63 HydrophobicContact CD2-CG2 4.01Å; V63-L79 HydrophobicContact CG1-CD1 4.04Å; V63-F170 HydrophobicContact CB-CZ 4.4Å; V63-F170 HydrophobicContact CG1-CD1 4.06Å; V63-F170 HydrophobicContact CG1-CE1 3.39Å; V63-F170 HydrophobicContact CG1-CE2 4.38Å; V63-F170 HydrophobicContact CG1-CZ 3.55Å; V63-F170 HydrophobicContact CG2-CZ 3.98Å
64H93.1Very high91.3Very high76 Ų7661 Ų6135%0.35231%0.309SS..EExtended strand (participates in β ladder)trans-154.8151.3-178.4-16074.5000111.4V10 I11 L75V10-H64 CarbonylContact C-O 3.54Å; V10-H64 WeakPolarHBondContact CA-O 3.04Å; I11-H64 PolarHBondContact N-O 2.9Å; I11-H64 PolarHBondContact O-N 3.4Å; H64-L75 HydrophobicContact CB-CD2 3.86Å; H64-L75 WeakPolarHBondContact CD2-CD2 3.28Å
65K93.5Very high91.8Very high82 Ų8259.1 Ų59.136%0.35730%0.299SS..EExtended strand (participates in β ladder)trans-109.9135177.2-64.9-177.7-178.4176.20108.7N7 V10 E31 I62N7-K65 HydrophobicContact CB-CB 3.93Å; N7-K65 HydrophobicContact CB-CD 4.28Å; N7-K65 HydrophobicContact CB-CG 4.43Å; V10-K65 HydrophobicContact CG1-CG 4.36Å; V10-K65 HydrophobicContact CG2-CG 4.35Å; E31-K65 IonicContact OE1-NZ 2.79Å; E31-K65 PolarHBondContact OE1-NZ 3.41Å; I62-K65 HydrophobicContact CG2-CG 4.14Å
66C91.3Very high92Very high8 Ų858.5 Ų58.55%0.05430%0.298CS..EExtended strand (participates in β ladder)trans-128.2142.6-175.9-59.80000111.3K8 Y9 A72K8-C66 PolarHBondContact N-O 3.45Å; Y9-C66 PolarHBondContact N-O 3.28Å; Y9-C66 PolarHBondContact O-N 2.92Å; Y9-C66 VanDerWaalsContact O-O 3.13Å; C66-A72 HydrophobicContact CB-CB 3.9Å
67E90.9Very high92.1Very high149 Ų14959.9 Ų59.970%0.69631%0.311SS*.SBendtrans-78-28177.8-61.4-175.6170.900112.7
68S90.4Very high92Very high43 Ų4356.6 Ų56.630%0.30130%0.299SS..SBendtrans-130149.8-176.990.20000112.3K70 S71 A72S68-K70 VanDerWaalsContact C-N 3.26Å; S68-K70 PolarHBondContact O-N 3.42Å; S68-S71 PolarHBondContact O-N 2.95Å; S68-S71 WeakPolarHBondContact OG-CB 3.44Å; S68-S71 PolarHBondContact OG-N 3.26Å; S68-S71 PolarHBondContact OG-OG 3.19Å; S68-A72 PolarHBondContact O-N 2.95Å; S68-A72 VanDerWaalsContact O-N 3.08Å
69L89.3Confident91.8Very high46 Ų4656.5 Ų56.524%0.24130%0.299CS..Hα-helixtrans-64-35.3175.3-179.458.8000111.4Y9 I22 A72 N73Y9-L69 HydrophobicContact CD1-CB 4.39Å; Y9-L69 HydrophobicContact CD1-CD1 3.98Å; Y9-L69 HydrophobicContact CD2-CB 4.21Å; Y9-L69 VanDerWaalsContact CD2-N 3.34Å; Y9-L69 HydrophobicContact CE1-CB 4.01Å; Y9-L69 HydrophobicContact CE1-CD1 3.94Å; Y9-L69 HydrophobicContact CE1-CG 4.39Å; Y9-L69 HydrophobicContact CE2-CB 3.82Å; Y9-L69 HydrophobicContact CG-CB 4.48Å; I22-L69 HydrophobicContact CG2-CD1 4.11Å; L69-A72 PolarHBondContact O-N 3.43Å; L69-N73 PolarHBondContact O-N 3.49Å; L69-N73 PolarHBondContact O-ND2 3.37Å
70K92.6Very high91.5Very high142 Ų14255.3 Ų55.362%0.61730%0.295SS*.Hα-helixtrans-59.9-51.8177.5-178.3178.2173.4-177.70110.8S68 A72 N73 E74S68-K70 VanDerWaalsContact C-N 3.26Å; S68-K70 PolarHBondContact O-N 3.42Å; K70-A72 VanDerWaalsContact C-N 3.29Å; K70-A72 PolarHBondContact O-N 2.96Å; K70-N73 PolarHBondContact O-N 3Å; K70-E74 WeakPolarHBondContact CE-OE1 3.39Å; K70-E74 WeakPolarHBondContact O-CG 3.21Å; K70-E74 PolarHBondContact O-N 3.16Å
71S91.8Very high91.1Very high58 Ų5859.6 Ų59.641%0.40632%0.32SS..Hα-helixtrans-61.4-38.9177.1-51.80000111.9S68 E74 L75S68-S71 PolarHBondContact O-N 2.95Å; S68-S71 WeakPolarHBondContact OG-CB 3.44Å; S68-S71 PolarHBondContact OG-N 3.26Å; S68-S71 PolarHBondContact OG-OG 3.19Å; S71-E74 PolarHBondContact O-N 3.34Å; S71-L75 VanDerWaalsContact O-CB 3.31Å; S71-L75 WeakPolarHBondContact O-CB 3.43Å; S71-L75 PolarHBondContact O-N 3.47Å
72A91.9Very high90.5Very high0 Ų058.3 Ų58.30%031%0.311CS..Hα-helixtrans-62.8-42.3176.200000112.1I22 C66 S68 L69 K70 L76I22-A72 HydrophobicContact CD1-CB 3.92Å; I22-A72 WeakPolarHBondContact CD1-O 3.41Å; I22-A72 HydrophobicContact CG1-CB 4.13Å; I22-A72 HydrophobicContact CG2-CB 4.07Å; C66-A72 HydrophobicContact CB-CB 3.9Å; S68-A72 PolarHBondContact O-N 2.95Å; S68-A72 VanDerWaalsContact O-N 3.08Å; L69-A72 PolarHBondContact O-N 3.43Å; K70-A72 VanDerWaalsContact C-N 3.29Å; K70-A72 PolarHBondContact O-N 2.96Å; A72-L76 WeakPolarHBondContact O-CB 3.44Å; A72-L76 PolarHBondContact O-N 3.27Å
73N92.4Very high89.7Confident62 Ų6258.5 Ų58.533%0.33231%0.309SS..Hα-helixtrans-66.5-45.2176.9-77.2-28.7000112.3I22 H44 L69 K70 L75 L76 A77I22-N73 WeakPolarHBondContact CD1-OD1 3.48Å; H44-N73 PolarHBondContact CE1-OD1 3.36Å; L69-N73 PolarHBondContact O-N 3.49Å; L69-N73 PolarHBondContact O-ND2 3.37Å; K70-N73 PolarHBondContact O-N 3Å; N73-L75 VanDerWaalsContact C-N 3.32Å; N73-L75 PolarHBondContact O-N 3.08Å; N73-L76 PolarHBondContact O-N 3.36Å; N73-A77 WeakPolarHBondContact O-CB 2.98Å; N73-A77 PolarHBondContact O-N 3.34Å
74E93.3Very high88.9Confident114 Ų11460 Ų6053%0.53333%0.325SS..Hα-helixtrans-59.4-45.1176.8-72.7170.9179.800111K70 S71 A78K70-E74 WeakPolarHBondContact CE-OE1 3.39Å; K70-E74 WeakPolarHBondContact O-CG 3.21Å; K70-E74 PolarHBondContact O-N 3.16Å; S71-E74 PolarHBondContact O-N 3.34Å; E74-A78 PolarHBondContact O-N 2.88Å; E74-A78 VanDerWaalsContact O-N 3.08Å
75L92.2Very high87.6Confident25 Ų2560.7 Ų60.713%0.13134%0.335CS..Hα-helixtrans-70.3-38.9177.8-176.161.5000112.4I11 H64 S71 N73 A77 A78 L79I11-L75 HydrophobicContact CD1-CB 3.85Å; I11-L75 HydrophobicContact CD1-CD2 3.65Å; I11-L75 HydrophobicContact CD1-CG 3.68Å; H64-L75 HydrophobicContact CB-CD2 3.86Å; H64-L75 WeakPolarHBondContact CD2-CD2 3.28Å; S71-L75 VanDerWaalsContact O-CB 3.31Å; S71-L75 WeakPolarHBondContact O-CB 3.43Å; S71-L75 PolarHBondContact O-N 3.47Å; N73-L75 VanDerWaalsContact C-N 3.32Å; N73-L75 PolarHBondContact O-N 3.08Å; L75-A77 PolarHBondContact O-N 3.49Å; L75-A78 PolarHBondContact O-N 2.88Å; L75-L79 HydrophobicContact CD1-CD1 4.44Å; L75-L79 HydrophobicContact CD1-CG 4.27Å; L75-L79 HydrophobicContact CG-CD1 4.09Å; L75-L79 HydrophobicContact CG-CG 4.37Å; L75-L79 WeakPolarHBondContact O-CB 3.21Å; L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.42Å; L75-L79 PolarHBondContact O-N 2.8Å
76L91.5Very high86Confident20 Ų2060.8 Ų60.811%0.10534%0.339CS..Hα-helixtrans-59.5-47.1175.2177.769000110.8I11 L20 I22 A72 N73 A78 L79 Q80I11-L76 HydrophobicContact CD1-CB 4.45Å; I11-L76 HydrophobicContact CG2-CD1 4.35Å; L20-L76 HydrophobicContact CB-CD1 3.35Å; L20-L76 HydrophobicContact CD1-CD1 4.24Å; L20-L76 HydrophobicContact CG-CD1 4.47Å; I22-L76 HydrophobicContact CD1-CB 3.86Å; I22-L76 HydrophobicContact CD1-CD2 3.58Å; I22-L76 HydrophobicContact CD1-CG 4.3Å; I22-L76 HydrophobicContact CG1-CB 4.25Å; I22-L76 HydrophobicContact CG1-CD2 3.93Å; A72-L76 WeakPolarHBondContact O-CB 3.44Å; A72-L76 PolarHBondContact O-N 3.27Å; N73-L76 PolarHBondContact O-N 3.36Å; L76-A78 PolarHBondContact O-N 3.3Å; L76-L79 PolarHBondContact O-N 2.93Å; L76-Q80 HydrophobicContact CD1-CG 4.36Å; L76-Q80 HydrophobicContact CG-CG 4.44Å; L76-Q80 WeakPolarHBondContact O-CB 3.26Å; L76-Q80 VanDerWaalsContact O-CG 3.29Å; L76-Q80 WeakPolarHBondContact O-CG 3.26Å; L76-Q80 PolarHBondContact O-N 3.26Å
77A91.1Very high84.4Confident50 Ų5068.3 Ų68.341%0.41337%0.373SS..Hα-helixtrans-60.7-45.4177.900000111.3N73 L75 L79 Q80 V81N73-A77 WeakPolarHBondContact O-CB 2.98Å; N73-A77 PolarHBondContact O-N 3.34Å; L75-A77 PolarHBondContact O-N 3.49Å; A77-L79 PolarHBondContact O-N 2.83Å; A77-Q80 PolarHBondContact O-N 3.42Å; A77-V81 WeakPolarHBondContact O-CG2 3.42Å; A77-V81 PolarHBondContact O-N 3.4Å; A77-V81 VanDerWaalsContact O-N 3.16Å
78A89.7Confident82.6Confident24 Ų2467.5 Ų67.520%0.19837%0.374CS..Hα-helixtrans-59.9-45.6175.900000112.2E74 L75 L76 V81 C82 L177E74-A78 PolarHBondContact O-N 2.88Å; E74-A78 VanDerWaalsContact O-N 3.08Å; L75-A78 PolarHBondContact O-N 2.88Å; L76-A78 PolarHBondContact O-N 3.3Å; A78-V81 PolarHBondContact O-N 2.85Å; A78-C82 PolarHBondContact O-N 3.16Å; A78-C82 PolarHBondContact O-SG 2.79Å; A78-C82 VanDerWaalsContact O-SG 3.37Å; A78-L177 HydrophobicContact CB-CD1 3.87Å; A78-L177 HydrophobicContact CB-CD2 3.81Å
79L87.5Confident80.5Confident15 Ų1574.3 Ų74.38%0.07939%0.394CS..Hα-helixtrans-65.3-40.5178.5-71.5173.4000112I11 L20 V63 L75 L76 A77 V81 C82 Y83 F170I11-L79 HydrophobicContact CD1-CD1 4.23Å; I11-L79 HydrophobicContact CG2-CD1 4.28Å; L20-L79 HydrophobicContact CD1-CB 3.43Å; L20-L79 VanDerWaalsContact CD1-CB 3.43Å; L20-L79 HydrophobicContact CD1-CD1 3.89Å; L20-L79 HydrophobicContact CD1-CG 4.28Å; V63-L79 HydrophobicContact CG1-CD1 4.04Å; L75-L79 HydrophobicContact CD1-CD1 4.44Å; L75-L79 HydrophobicContact CD1-CG 4.27Å; L75-L79 HydrophobicContact CG-CD1 4.09Å; L75-L79 HydrophobicContact CG-CG 4.37Å; L75-L79 WeakPolarHBondContact O-CB 3.21Å; L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.42Å; L75-L79 PolarHBondContact O-N 2.8Å; L76-L79 PolarHBondContact O-N 2.93Å; A77-L79 PolarHBondContact O-N 2.83Å; L79-V81 VanDerWaalsContact C-N 3.31Å; L79-V81 PolarHBondContact O-N 3.47Å; L79-C82 WeakPolarHBondContact O-CB 3.45Å; L79-C82 PolarHBondContact O-N 2.95Å; L79-C82 VanDerWaalsContact O-N 3.13Å; L79-Y83 VanDerWaalsContact O-CD2 3.24Å; L79-Y83 WeakPolarHBondContact O-CD2 3.36Å; L79-Y83 PolarHBondContact O-N 3.43Å; L79-F170 HydrophobicContact CD2-CD1 4.19Å; L79-F170 HydrophobicContact CD2-CE1 4.02Å
80Q87.2Confident78.4Confident99 Ų9976.8 Ų76.846%0.46341%0.413SS..Hα-helixtrans-60.4-40.4177.8-77.9174.1-20.600112.1L76 A77 C82 Y83 A84L76-Q80 HydrophobicContact CD1-CG 4.36Å; L76-Q80 HydrophobicContact CG-CG 4.44Å; L76-Q80 WeakPolarHBondContact O-CB 3.26Å; L76-Q80 VanDerWaalsContact O-CG 3.29Å; L76-Q80 WeakPolarHBondContact O-CG 3.26Å; L76-Q80 PolarHBondContact O-N 3.26Å; A77-Q80 PolarHBondContact O-N 3.42Å; Q80-C82 VanDerWaalsContact C-N 3.31Å; Q80-C82 PolarHBondContact O-N 2.93Å; Q80-Y83 PolarHBondContact O-N 3.05Å; Q80-A84 PolarHBondContact O-N 3.46Å
81V85.6Confident76.7Confident99 Ų9975.8 Ų75.860%0.642%0.421SS*.Hα-helixtrans-59.8-43.5174173.30000110.8A77 A78 L79 A84 T85A77-V81 WeakPolarHBondContact O-CG2 3.42Å; A77-V81 PolarHBondContact O-N 3.4Å; A77-V81 VanDerWaalsContact O-N 3.16Å; A78-V81 PolarHBondContact O-N 2.85Å; L79-V81 VanDerWaalsContact C-N 3.31Å; L79-V81 PolarHBondContact O-N 3.47Å; V81-A84 PolarHBondContact O-N 3.14Å; V81-T85 PolarHBondContact O-N 3.44Å
82C80Confident74.6Confident33 Ų3378.3 Ų78.322%0.22343%0.43CS..Hα-helixtrans-67.9-34.5177.9-61.30000113.4A78 L79 Q80 T85 I173A78-C82 PolarHBondContact O-N 3.16Å; A78-C82 PolarHBondContact O-SG 2.79Å; A78-C82 VanDerWaalsContact O-SG 3.37Å; L79-C82 WeakPolarHBondContact O-CB 3.45Å; L79-C82 PolarHBondContact O-N 2.95Å; L79-C82 VanDerWaalsContact O-N 3.13Å; Q80-C82 VanDerWaalsContact C-N 3.31Å; Q80-C82 PolarHBondContact O-N 2.93Å; C82-T85 PolarHBondContact O-OG1 3.22Å; C82-I173 HydrophobicContact CB-CD1 4.43Å; C82-I173 HydrophobicContact CB-CG2 3.94Å; C82-I173 WeakPolarHBondContact SG-CG2 3.37Å
83Y75.8Confident72.8Confident51 Ų5187.2 Ų87.220%0.247%0.472CS..Hα-helixtrans-72.5-33.7177.3-88.4-72.1000112.6L20 L79 Q80 T85 D86 F170L20-Y83 HydrophobicContact CD1-CD2 3.79Å; L20-Y83 HydrophobicContact CD1-CE2 3.76Å; L20-Y83 HydrophobicContact CD2-CE2 4.26Å; L20-Y83 HydrophobicContact CG-CD2 4.32Å; L20-Y83 HydrophobicContact CG-CE2 4.22Å; L79-Y83 VanDerWaalsContact O-CD2 3.24Å; L79-Y83 WeakPolarHBondContact O-CD2 3.36Å; L79-Y83 PolarHBondContact O-N 3.43Å; Q80-Y83 PolarHBondContact O-N 3.05Å; Y83-T85 PolarHBondContact O-N 2.83Å; Y83-D86 PolarHBondContact O-N 2.88Å; Y83-F170 HydrophobicContact CE2-CE1 4.05Å; Y83-F170 HydrophobicContact CE2-CZ 4.13Å; Y83-F170 AromaticContact CZ-CZ 3.9Å; Y83-F170 WeakPolarHBondContact OH-CE1 3.09Å; Y83-F170 WeakPolarHBondContact OH-CE2 3.5Å; Y83-F170 WeakPolarHBondContact OH-CZ 3.31Å
84A75.3Confident70.8Confident63 Ų6390.1 Ų90.152%0.52149%0.487SS..Hα-helixtrans-67.2-25177.400000113Q80 V81Q80-A84 PolarHBondContact O-N 3.46Å; V81-A84 PolarHBondContact O-N 3.14Å
85T66.2Low68.7Low91 Ų9191.2 Ų91.256%0.55850%0.502SS*.Hα-helixtrans-83.1-19.1179.856.70000114V81 C82 Y83 N88V81-T85 PolarHBondContact O-N 3.44Å; C82-T85 PolarHBondContact O-OG1 3.22Å; Y83-T85 PolarHBondContact O-N 2.83Å; T85-N88 PolarHBondContact O-N 3.27Å
86D60.6Low66.4Low84 Ų8497.2 Ų97.245%0.44953%0.533SS..Hα-helixtrans-73.7-29-177.4-145.810000112Y83 N88 Y89 R169Y83-D86 PolarHBondContact O-N 2.88Å; D86-N88 PolarHBondContact O-N 3.05Å; D86-N88 VanDerWaalsContact O-N 3.15Å; D86-Y89 PolarHBondContact O-N 2.93Å; D86-R169 IonicContact OD1-NH1 3.69Å; D86-R169 IonicContact OD2-NH1 3Å; D86-R169 PolarHBondContact OD2-NH1 3.34Å
87E56.9Low64.3Low166 Ų166101.8 Ų101.878%0.77656%0.564SS**THydrogen-bonded Turntrans-67.4-11.7176.3-67.8-86.9156.100113.3
88N52.5Low62.1Low133 Ų133107 Ų10771%0.71158%0.584SS**THydrogen-bonded Turntrans-108.63.4-177.5-74.4-60.6000114.5T85 D86 P90T85-N88 PolarHBondContact O-N 3.27Å; D86-N88 PolarHBondContact O-N 3.05Å; D86-N88 VanDerWaalsContact O-N 3.15Å; N88-P90 WeakPolarHBondContact O-CD 3.46Å
89Y46.7Very low59.8Low186 Ų186112.1 Ų112.173%0.72961%0.609SS**  trans-87.7101.7171.3-131.7-90.5000108D86D86-Y89 PolarHBondContact O-N 2.93Å
90P45.9Very low57.9Low98 Ų98117 Ų11764%0.63664%0.639SS**  trans-55.2135.1170.524.3-32.1000107.2N88 D92N88-P90 WeakPolarHBondContact O-CD 3.46Å; P90-D92 PolarHBondContact O-N 3.19Å
91P55.9Low55.8Low120 Ų120118.4 Ų118.478%0.77965%0.65SS**  trans-55.1114.1174.923.2-31.2000106.4E93P91-E93 PolarHBondContact O-N 3.45Å
92D48.8Very low53.7Low112 Ų112123 Ų12360%0.59966%0.662SS**  trans-58.1103.2179.7-166.50.5000107P90 N94P90-D92 PolarHBondContact O-N 3.19Å; D92-N94 PolarHBondContact O-N 2.72Å; D92-N94 PolarHBondContact OD1-ND2 3.44Å; D92-N94 VanDerWaalsContact OD1-ND2 3.07Å
93E53.3Low51.6Low186 Ų186130.2 Ų130.287%0.86969%0.692SS**THydrogen-bonded Turntrans-75.528-172.2-144.3-178.5-158.500111.3P91P91-E93 PolarHBondContact O-N 3.45Å
94N51.2Low50.1Low123 Ų123137.1 Ų137.166%0.65872%0.723SS**THydrogen-bonded Turntrans-120.120-169.9-69.7-44.6000114.6D92 L96D92-N94 PolarHBondContact O-N 2.72Å; D92-N94 PolarHBondContact OD1-ND2 3.44Å; D92-N94 VanDerWaalsContact OD1-ND2 3.07Å; N94-L96 PolarHBondContact O-N 2.91Å; N94-L96 VanDerWaalsContact O-N 3.08Å
95T47.9Very low48.5Very low137 Ų137146.2 Ų146.284%0.8474%0.744SS**  trans-83.778.5160.3-0.20000109.3
96L44.4Very low47.2Very low151 Ų151147 Ų14779%0.79175%0.753SS**  trans-46.5132164.5-88.9147.2000109.8N94 L98N94-L96 PolarHBondContact O-N 2.91Å; N94-L96 VanDerWaalsContact O-N 3.08Å; L96-L98 PolarHBondContact O-N 3.23Å; L96-L98 VanDerWaalsContact O-N 3.09Å
97P47.5Very low46.3Very low117 Ų117147.7 Ų147.776%0.7677%0.77SS**  trans-63117.8178.124.1-31.3000109.2N99P97-N99 VanDerWaalsContact C-N 3.27Å; P97-N99 PolarHBondContact O-N 3.43Å
98L45.6Very low45.6Very low159 Ų159147.5 Ų147.583%0.83277%0.774SS**  trans-64.192.4172.8-171.172.1000108.2L96 T100L96-L98 PolarHBondContact O-N 3.23Å; L96-L98 VanDerWaalsContact O-N 3.09Å; L98-T100 PolarHBondContact O-N 2.93Å; L98-T100 VanDerWaalsContact O-N 3.16Å
99N42.2Very low45.3Very low132 Ų132149.8 Ų149.871%0.70678%0.778SS**  trans-73.798.7174.7-164.2-1.3000108.1P97P97-N99 VanDerWaalsContact C-N 3.27Å; P97-N99 PolarHBondContact O-N 3.43Å
100T47.4Very low45.1Very low116 Ų116151.6 Ų151.671%0.71278%0.783SS**  trans-123.794.3159.250.50000108.5L98 K102L98-T100 PolarHBondContact O-N 2.93Å; L98-T100 VanDerWaalsContact O-N 3.16Å; T100-K102 PolarHBondContact O-N 3.38Å
101D41.8Very low45.1Very low130 Ų130155.7 Ų155.770%0.69579%0.791SS**  trans-30.4124.1153.9-76.8-56.8000112.3
102K41.5Very low44.9Very low196 Ų196155.6 Ų155.685%0.85278%0.78SS**  172.4128.7113-90.4163.8-172-179.90112.8T100T100-K102 PolarHBondContact O-N 3.38Å
103Q37.4Very low44.8Very low183 Ų183155 Ų15586%0.85579%0.785SS**  trans90.676.4140.5-126.1166.7-6.800120.7
104K43.9Very low44.6Very low196 Ų196153 Ų15385%0.85277%0.773SS**  3992.1112.9-148176.9-167.5178.60117.3
105R41.8Very low44.4Very low254 Ų254154.1 Ų154.196%0.95878%0.779SS**  trans-140.8102.5140.4-118.5178.3-179.3172.10.3109.8
106S38.2Very low44.5Very low108 Ų108156.9 Ų156.976%0.75578%0.775SS**  trans-80.3129.5174.648.50000111.3
107A41.9Very low44.8Very low98 Ų98155.1 Ų155.181%0.8177%0.767SS**  trans-158.175.6154.200000108
108L41.6Very low45.3Very low163 Ų163154 Ų15485%0.85376%0.761SS**  70.989.3102.8-136.5114.4000114.6
109K45.6Very low45.9Very low181 Ų181151.2 Ų151.279%0.78775%0.751SS**  trans34.4112.7137.4-62.3-178.1177.2176.60118
110R43.1Very low46.4Very low223 Ų223150.1 Ų150.184%0.84275%0.745SS**  trans-115.7103.7130.7-133.2-177.2-161.5115.42108.2E112R110-E112 IonicContact NE-OE1 3.95Å; R110-E112 PolarHBondContact O-N 3.16Å
111K47Very low46.9Very low185 Ų185151.2 Ų151.280%0.80474%0.744SS**  trans-70.5106.5162.3-97.6-179.4164.9-173.20105.7
112E51Low47.5Very low117 Ų117150.2 Ų150.255%0.54774%0.738SS.*  trans-13476.6160.6-107.7161.6-141.900106.1R110 F114R110-E112 IonicContact NE-OE1 3.95Å; R110-E112 PolarHBondContact O-N 3.16Å; E112-F114 HydrophobicContact CB-CD2 3.97Å; E112-F114 HydrophobicContact CB-CE2 3.52Å; E112-F114 HydrophobicContact CB-CZ 4.14Å; E112-F114 HydrophobicContact CG-CD2 4.49Å; E112-F114 HydrophobicContact CG-CE2 3.72Å; E112-F114 HydrophobicContact CG-CZ 3.79Å; E112-F114 PolarHBondContact O-N 2.84Å; E112-F114 WeakPolarHBondContact OE2-CE2 3.43Å
113S47.1Very low48.2Very low101 Ų101145.5 Ų145.571%0.70673%0.726SS**  trans-65.883.9162.549.90000107.4L115S113-L115 PolarHBondContact O-N 3.16Å
114F48.4Very low49Very low143 Ų143140.7 Ų140.763%0.62772%0.717SS**  trans-73.479.6163.3-67.3-75.7000107.4E112 Y116E112-F114 HydrophobicContact CB-CD2 3.97Å; E112-F114 HydrophobicContact CB-CE2 3.52Å; E112-F114 HydrophobicContact CB-CZ 4.14Å; E112-F114 HydrophobicContact CG-CD2 4.49Å; E112-F114 HydrophobicContact CG-CE2 3.72Å; E112-F114 HydrophobicContact CG-CZ 3.79Å; E112-F114 PolarHBondContact O-N 2.84Å; E112-F114 WeakPolarHBondContact OE2-CE2 3.43Å; F114-Y116 VanDerWaalsContact C-N 3.26Å; F114-Y116 HydrophobicContact CB-CD2 4.32Å; F114-Y116 HydrophobicContact CB-CE2 4.13Å; F114-Y116 PolarHBondContact O-N 3.02Å; F114-Y116 VanDerWaalsContact O-N 3.09Å
115L48.2Very low49.4Very low147 Ų147138.8 Ų138.877%0.7771%0.712SS**  trans-6796155.7-79.5162.4000105.5S113 N117S113-L115 PolarHBondContact O-N 3.16Å; L115-N117 PolarHBondContact O-N 3.09Å
116Y48.5Very low50.1Low194 Ų194134.1 Ų134.176%0.76170%0.702SS**  trans-63104.8164-81.2-89.5000106.8F114F114-Y116 VanDerWaalsContact C-N 3.26Å; F114-Y116 HydrophobicContact CB-CD2 4.32Å; F114-Y116 HydrophobicContact CB-CE2 4.13Å; F114-Y116 PolarHBondContact O-N 3.02Å; F114-Y116 VanDerWaalsContact O-N 3.09Å
117N50.8Low50.8Low115 Ų115137 Ų13762%0.61570%0.703SS**  trans-66.8133.1168.6-78.5-24000107.3L115 V119 D120L115-N117 PolarHBondContact O-N 3.09Å; N117-V119 PolarHBondContact O-N 2.95Å; N117-D120 PolarHBondContact O-N 2.93Å; N117-D120 VanDerWaalsContact O-N 3.16Å
118S59.2Low51.3Low92 Ų92135.8 Ų135.864%0.64369%0.693SS**THydrogen-bonded Turntrans-57.8-4.7-177.753.60000115.2
119V56.8Low51.6Low102 Ų102130.5 Ų130.562%0.61868%0.679SS**THydrogen-bonded Turntrans-79.3-21.9178.4-175.40000112N117 M121N117-V119 PolarHBondContact O-N 2.95Å; V119-M121 VanDerWaalsContact C-N 3.33Å; V119-M121 PolarHBondContact O-N 3.5Å
120D54.2Low52Low109 Ų109129.9 Ų129.958%0.58368%0.684SS**THydrogen-bonded Turntrans-78.7-13-178.4-70.8-29.4000113.8N117N117-D120 PolarHBondContact O-N 2.93Å; N117-D120 VanDerWaalsContact O-N 3.16Å
121M56.7Low52.7Low139 Ų139124.6 Ų124.669%0.68568%0.677SS**Hα-helixtrans-73.3-30.1174.7-76.2-170.4-56.900112.6V119 V123 A124V119-M121 VanDerWaalsContact C-N 3.33Å; V119-M121 PolarHBondContact O-N 3.5Å; M121-V123 PolarHBondContact O-N 2.95Å; M121-A124 PolarHBondContact O-N 3.46Å
122D54.8Low53Low109 Ų109127 Ų12758%0.58368%0.681SS**Hα-helixtrans-74.2-17.3-174.9-65.8-16.7000112.6
123V56Low53.1Low97 Ų97126.4 Ų126.459%0.58869%0.685SS**Hα-helixtrans-78.8-28.9177.6-176.10000111.9M121 E125M121-V123 PolarHBondContact O-N 2.95Å; V123-E125 VanDerWaalsContact C-N 3.35Å
124A53.6Low53.2Low82 Ų82130.2 Ų130.268%0.67869%0.691SS**Hα-helixtrans-74.3-27.5176.700000112.4M121M121-A124 PolarHBondContact O-N 3.46Å
125E53.6Low53.5Low156 Ų156132.5 Ų132.573%0.72970%0.697SS**Hα-helixtrans-78.3-28.2-177.7-164.8166.4-172.700112.9V123 H127V123-E125 VanDerWaalsContact C-N 3.35Å; E125-H127 PolarHBondContact O-N 2.97Å
126M55.9Low53.9Low155 Ų155130.8 Ų130.876%0.76470%0.695SS**Hα-helixtrans-79.9-17.5-174.3-162.4168.963.400114.9
127H52.5Low54.2Low168 Ų168131.1 Ų131.178%0.77870%0.7SS**THydrogen-bonded Turntrans-95.3-7.3178.3-85.1-47.7000115.1E125 G129E125-H127 PolarHBondContact O-N 2.97Å; H127-G129 PolarHBondContact O-N 3.49Å
128A52.7Low54.2Low73 Ų73132.1 Ų132.160%0.60371%0.705SS**SBendtrans-8460.517000000110.2N130A128-N130 PolarHBondContact O-N 3.33Å
129G48.3Very low53.6Low53 Ų53139.2 Ų139.255%0.54672%0.718SS.*  trans-52.8109.1171.100000110.3H127 T131H127-G129 PolarHBondContact O-N 3.49Å; G129-T131 PolarHBondContact O-N 3.37Å; G129-T131 PolarHBondContact O-OG1 2.97Å
130N53Low53.3Low167 Ų167140.6 Ų140.689%0.89372%0.719SS**SBendtrans46.515.8148.4-113.3-1000119.4A128 R132A128-N130 PolarHBondContact O-N 3.33Å; N130-R132 PolarHBondContact O-N 3.16Å; N130-R132 VanDerWaalsContact O-N 3.12Å
131T57.7Low52.9Low112 Ų112143.6 Ų143.669%0.68773%0.727SS**  trans-82.799.3174.139.20000106.7G129 V133G129-T131 PolarHBondContact O-N 3.37Å; G129-T131 PolarHBondContact O-OG1 2.97Å; T131-V133 PolarHBondContact O-N 3.36Å
132R54.6Low52.5Low236 Ų236146.3 Ų146.389%0.89174%0.735SS**  trans-42.8105167.4-73.7-179.9176.6-167.2-1.3107.5N130 Q134N130-R132 PolarHBondContact O-N 3.16Å; N130-R132 VanDerWaalsContact O-N 3.12Å; R132-Q134 PolarHBondContact O-N 3.36Å
133V52.4Low52.1Low105 Ų105148 Ų14864%0.63674%0.744SS**  trans-63.495.3175.6178.50000105.9T131 Y135T131-V133 PolarHBondContact O-N 3.36Å; V133-Y135 VanDerWaalsContact C-N 3.34Å; V133-Y135 HydrophobicContact CB-CE2 4.45Å; V133-Y135 HydrophobicContact CG1-CD2 4.44Å; V133-Y135 HydrophobicContact CG1-CE1 4.25Å; V133-Y135 HydrophobicContact CG1-CE2 4.14Å; V133-Y135 WeakPolarHBondContact O-CD2 3.44Å; V133-Y135 PolarHBondContact O-N 3.38Å
134Q48.9Very low51.6Low180 Ų180149.6 Ų149.684%0.84175%0.754SS**  trans-73.895.9174.6-123.8-179.212.200105.6R132 P136R132-Q134 PolarHBondContact O-N 3.36Å; Q134-P136 WeakPolarHBondContact O-CD 3.25Å
135Y55.1Low51.1Low192 Ų192151.8 Ų151.875%0.75376%0.759SS**  trans-58.4126.9172.7-70.7-82.9000108.7V133 K137V133-Y135 VanDerWaalsContact C-N 3.34Å; V133-Y135 HydrophobicContact CB-CE2 4.45Å; V133-Y135 HydrophobicContact CG1-CD2 4.44Å; V133-Y135 HydrophobicContact CG1-CE1 4.25Å; V133-Y135 HydrophobicContact CG1-CE2 4.14Å; V133-Y135 WeakPolarHBondContact O-CD2 3.44Å; V133-Y135 PolarHBondContact O-N 3.38Å; Y135-K137 PolarHBondContact O-N 3.44Å
136P56.2Low50.7Low111 Ų111149.1 Ų149.172%0.72176%0.757SS**  trans-54.4115.5176.1-24.933.3000109Q134 L138Q134-P136 WeakPolarHBondContact O-CD 3.25Å; P136-L138 PolarHBondContact O-N 3.18Å
137K54.6Low50.4Low200 Ų200147.8 Ų147.887%0.8776%0.76SS**  trans-68.385.7179.5-157.1172.4-170173.80107.4Y135 R139Y135-K137 PolarHBondContact O-N 3.44Å; K137-R139 PolarHBondContact O-N 3.29Å
138L52.1Low49.9Very low137 Ų137147.6 Ų147.672%0.71776%0.763SS**  trans-58.9101.1176.6-67.9172.5000107.5P136 M140P136-L138 PolarHBondContact O-N 3.18Å; L138-M140 HydrophobicContact CB-CG 4.26Å; L138-M140 HydrophobicContact CD1-CE 4.34Å; L138-M140 PolarHBondContact O-N 3.2Å
139R46.8Very low49.5Very low241 Ų241147.7 Ų147.791%0.90976%0.764SS**  trans-68.176.9165.8-73.5-174.2-177.4-174.71.5107.1K137 F141K137-R139 PolarHBondContact O-N 3.29Å; R139-F141 PolarHBondContact O-N 3.16Å
140M49.5Very low49.3Very low130 Ų130152.6 Ų152.664%0.6478%0.778SS**  trans-66.4127.3170.5-66.5-158.4165.500107.9L138L138-M140 HydrophobicContact CB-CG 4.26Å; L138-M140 HydrophobicContact CD1-CE 4.34Å; L138-M140 PolarHBondContact O-N 3.2Å
141F46.6Very low48.7Very low172 Ų172150.3 Ų150.375%0.75478%0.775SS**  trans69.979.3166.7-38.3-67.3000116.3R139R139-F141 PolarHBondContact O-N 3.16Å
142K47.5Very low48Very low196 Ų196151.1 Ų151.185%0.85278%0.78SS**SBendtrans-124.9-15148.4-141.5175.2-176.8179.10116.5
143N46.6Very low47.6Very low144 Ų144148.1 Ų148.177%0.7778%0.776SS**  trans-12881175.8-64.8-16.3000109.4V145N143-V145 HydrophobicContact CB-CG2 4.44Å; N143-V145 PolarHBondContact O-N 3.49Å
144V44.7Very low47.4Very low131 Ų131151.3 Ų151.379%0.79479%0.788SS**  trans-70.888.3159.5-179.80000105.8
145V44.9Very low47Very low129 Ų129149.2 Ų149.278%0.78278%0.783SS**  trans-107125.1164.9-1790000106.4N143N143-V145 HydrophobicContact CB-CG2 4.44Å; N143-V145 PolarHBondContact O-N 3.49Å
146S44.9Very low46.8Very low99 Ų99145.4 Ų145.469%0.69278%0.784SS**  trans-50.7160.5-173.2-60.30000115.3
147P49.8Very low46.2Very low127 Ų127145.3 Ų145.383%0.82579%0.786SS**  trans-84.3134-158.733-31000111.8
148I40.6Very low46Very low164 Ų164141.6 Ų141.684%0.84178%0.782SS**  trans-114.2124162.2-62.2177.5000107.1
149A44Very low45.8Very low76 Ų76139.8 Ų139.863%0.62878%0.781SS**  trans-40.8141.5172.700000112.8
150N43.8Very low45.7Very low156 Ų156133.5 Ų133.583%0.83477%0.77SS**  -167.2121.7113.6-83.4-26.3000109.9
151S41.1Very low45.8Very low119 Ų119132.3 Ų132.383%0.83278%0.775SS**  trans-65.6121.5173.9174.60000110.4
152T43.7Very low46Very low129 Ų129131.1 Ų131.179%0.79177%0.771SS**  trans-137.299.1153.940.60000109.2L154T152-L154 PolarHBondContact O-N 3.43Å
153Q45.1Very low46.3Very low173 Ų173126.7 Ų126.781%0.80876%0.757SS**  trans37.876.2134.3-158.8172.422.400115.5
154L48.2Very low46.9Very low172 Ų172128.3 Ų128.390%0.90176%0.757SS**  trans-88.6106161.9-104.9156.8000107.7T152 S156T152-L154 PolarHBondContact O-N 3.43Å; L154-S156 PolarHBondContact O-N 3.2Å; L154-S156 VanDerWaalsContact O-N 3.13Å
155D41.6Very low48Very low136 Ų136126.8 Ų126.873%0.72774%0.744SS**  trans-47.6116.4173.1-80.8-44.9000110.5S157D155-S157 PolarHBondContact O-N 2.67Å
156S49.8Very low48.8Very low111 Ų111123.5 Ų123.578%0.77672%0.722SS**  trans-63.3102.1176.154.80000109.2L154L154-S156 PolarHBondContact O-N 3.2Å; L154-S156 VanDerWaalsContact O-N 3.13Å
157S44Very low49.9Very low109 Ų109123 Ų12376%0.76272%0.715SS**  trans-60.5125.9160.2-67.10000108D155 S159D155-S157 PolarHBondContact O-N 2.67Å; S157-S159 PolarHBondContact O-N 3.49Å
158P50.6Low50.9Low122 Ų122119.9 Ų119.979%0.79270%0.7SS**  trans-66.6110.3-178.325.3-30.8000108.5T160P158-T160 PolarHBondContact O-N 3.33Å
159S47.5Very low52.3Low99 Ų99117.8 Ų117.869%0.69268%0.681SS**  trans-61.7123.1172.454.60000108.6S157 S161S157-S159 PolarHBondContact O-N 3.49Å; S159-S161 PolarHBondContact O-N 3.33Å
160T44.4Very low53.4Low110 Ų110116.2 Ų116.268%0.67566%0.66SS**  trans-56.1120.5-175.443.30000111.2P158 E162P158-T160 PolarHBondContact O-N 3.33Å; T160-E162 PolarHBondContact O-N 3.31Å
161S53Low54.9Low105 Ų105114.3 Ų114.373%0.73465%0.647SS**THydrogen-bonded Turntrans12.1-40.1156.4-169.80000121.1S159 D163 K164S159-S161 PolarHBondContact O-N 3.33Å; S161-D163 PolarHBondContact O-N 2.83Å; S161-K164 PolarHBondContact O-N 3.41Å
162E49.7Very low56.6Low147 Ų147117.6 Ų117.669%0.68764%0.641SS**Hα-helixtrans-65.9-35.4-172.2-67.7-179.2165.400113.7T160 K164 N165 L166T160-E162 PolarHBondContact O-N 3.31Å; E162-K164 VanDerWaalsContact C-N 3.29Å; E162-K164 PolarHBondContact O-N 3.2Å; E162-N165 PolarHBondContact O-N 2.91Å; E162-L166 PolarHBondContact O-N 2.86Å
163D53.8Low58.1Low103 Ų103114 Ų11455%0.55162%0.616SS**Hα-helixtrans-61.4-36.9-178.4-90.1-17.3000112.4S161 N165 L166 T167S161-D163 PolarHBondContact O-N 2.83Å; D163-N165 PolarHBondContact O-N 3.39Å; D163-L166 PolarHBondContact O-N 3.05Å; D163-T167 PolarHBondContact O-N 2.82Å; D163-T167 VanDerWaalsContact O-N 3.16Å; D163-T167 PolarHBondContact O-OG1 2.98Å
164K59.2Low59.6Low178 Ų178110.5 Ų110.577%0.77460%0.596SS**Hα-helixtrans-68.5-35.8179.5-67.2-174.9-179.3179.80112.1S161 E162 A168S161-K164 PolarHBondContact O-N 3.41Å; E162-K164 VanDerWaalsContact C-N 3.29Å; E162-K164 PolarHBondContact O-N 3.2Å; K164-A168 PolarHBondContact O-N 2.92Å; K164-A168 VanDerWaalsContact O-N 3.16Å
165N69Low61.1Low98 Ų98105.2 Ų105.252%0.52457%0.571SS.*Hα-helixtrans-66.7-42.1179-168.6-75.3000110.8E162 D163 A168 R169E162-N165 PolarHBondContact O-N 2.91Å; D163-N165 PolarHBondContact O-N 3.39Å; N165-A168 PolarHBondContact O-N 3.3Å; N165-R169 WeakPolarHBondContact O-CB 3.49Å; N165-R169 WeakPolarHBondContact O-CG 3.34Å; N165-R169 PolarHBondContact O-N 3.08Å; N165-R169 PolarHBondContact OD1-NE 3.39Å
166L62Low62.9Low61 Ų61103.4 Ų103.432%0.31956%0.561SS.*Hα-helixtrans-64.2-46.1178.2-72.5173.3000112.1E162 D163 A168 R169 F170E162-L166 PolarHBondContact O-N 2.86Å; D163-L166 PolarHBondContact O-N 3.05Å; L166-A168 VanDerWaalsContact C-N 3.34Å; L166-A168 PolarHBondContact O-N 3.44Å; L166-R169 WeakPolarHBondContact O-CB 3.39Å; L166-R169 PolarHBondContact O-N 2.76Å; L166-R169 VanDerWaalsContact O-N 3.14Å; L166-F170 WeakPolarHBondContact O-CD2 3.16Å; L166-F170 PolarHBondContact O-N 2.9Å
167T67.3Low64.2Low87 Ų87100.9 Ų100.953%0.53454%0.539SS..Hα-helixtrans-59.3-46177.1-56.40000111.4D163 R169 F170 E171D163-T167 PolarHBondContact O-N 2.82Å; D163-T167 VanDerWaalsContact O-N 3.16Å; D163-T167 PolarHBondContact O-OG1 2.98Å; T167-R169 VanDerWaalsContact C-N 3.3Å; T167-R169 PolarHBondContact O-N 3.02Å; T167-F170 PolarHBondContact O-N 2.83Å; T167-E171 WeakPolarHBondContact O-CG 3.47Å; T167-E171 PolarHBondContact O-N 3.34Å
168A71.6Confident65.8Low62 Ų62100 Ų10051%0.51253%0.525SS..Hα-helixtrans-62-37.4176.200000112.5K164 N165 L166 R172K164-A168 PolarHBondContact O-N 2.92Å; K164-A168 VanDerWaalsContact O-N 3.16Å; N165-A168 PolarHBondContact O-N 3.3Å; L166-A168 VanDerWaalsContact C-N 3.34Å; L166-A168 PolarHBondContact O-N 3.44Å; A168-R172 WeakPolarHBondContact O-CB 3.16Å; A168-R172 PolarHBondContact O-N 3.29Å
169R68.8Low67.4Low120 Ų120100.6 Ų100.645%0.45352%0.515SS..Hα-helixtrans-64.5-44.4173.1-80.8-177.6168.7-145.2-2.9111.7D86 N165 L166 T167 R172 I173D86-R169 IonicContact OD1-NH1 3.69Å; D86-R169 IonicContact OD2-NH1 3Å; D86-R169 PolarHBondContact OD2-NH1 3.34Å; N165-R169 WeakPolarHBondContact O-CB 3.49Å; N165-R169 WeakPolarHBondContact O-CG 3.34Å; N165-R169 PolarHBondContact O-N 3.08Å; N165-R169 PolarHBondContact OD1-NE 3.39Å; L166-R169 WeakPolarHBondContact O-CB 3.39Å; L166-R169 PolarHBondContact O-N 2.76Å; L166-R169 VanDerWaalsContact O-N 3.14Å; T167-R169 VanDerWaalsContact C-N 3.3Å; T167-R169 PolarHBondContact O-N 3.02Å; R169-R172 PolarHBondContact O-N 3.04Å; R169-I173 VanDerWaalsContact O-CG1 3.3Å; R169-I173 WeakPolarHBondContact O-CG1 3.08Å; R169-I173 PolarHBondContact O-N 2.83Å
170F68.3Low69Low43 Ų4399.8 Ų99.819%0.18951%0.506CS..Hα-helixtrans-60.8-48176.5-86.9-69.5000112V63 L79 Y83 L166 T167 R172 I173 Y174V63-F170 HydrophobicContact CB-CZ 4.4Å; V63-F170 HydrophobicContact CG1-CD1 4.06Å; V63-F170 HydrophobicContact CG1-CE1 3.39Å; V63-F170 HydrophobicContact CG1-CE2 4.38Å; V63-F170 HydrophobicContact CG1-CZ 3.55Å; V63-F170 HydrophobicContact CG2-CZ 3.98Å; L79-F170 HydrophobicContact CD2-CD1 4.19Å; L79-F170 HydrophobicContact CD2-CE1 4.02Å; Y83-F170 HydrophobicContact CE2-CE1 4.05Å; Y83-F170 HydrophobicContact CE2-CZ 4.13Å; Y83-F170 AromaticContact CZ-CZ 3.9Å; Y83-F170 WeakPolarHBondContact OH-CE1 3.09Å; Y83-F170 WeakPolarHBondContact OH-CE2 3.5Å; Y83-F170 WeakPolarHBondContact OH-CZ 3.31Å; L166-F170 WeakPolarHBondContact O-CD2 3.16Å; L166-F170 PolarHBondContact O-N 2.9Å; T167-F170 PolarHBondContact O-N 2.83Å; F170-R172 VanDerWaalsContact C-N 3.26Å; F170-R172 PolarHBondContact O-N 3.3Å; F170-I173 PolarHBondContact O-N 3.05Å; F170-Y174 VanDerWaalsContact O-CB 3.26Å; F170-Y174 WeakPolarHBondContact O-CB 3.49Å; F170-Y174 PolarHBondContact O-N 3.44Å
171E73.5Confident70.6Confident117 Ų11797.3 Ų97.355%0.54749%0.493SS..Hα-helixtrans-57.1-42.1175.9-73.6-65.8160.500111.3T167 T175T167-E171 WeakPolarHBondContact O-CG 3.47Å; T167-E171 PolarHBondContact O-N 3.34Å; E171-T175 VanDerWaalsContact O-CB 3.28Å; E171-T175 WeakPolarHBondContact O-CB 3.11Å; E171-T175 PolarHBondContact O-N 2.89Å; E171-T175 PolarHBondContact O-OG1 3.44Å
172R78.1Confident71.8Confident187 Ų18795.1 Ų95.171%0.70648%0.481SS*.Hα-helixtrans-65-46176.9-168.8177-174.8175.60.9112.2A168 R169 F170 T175 L176A168-R172 WeakPolarHBondContact O-CB 3.16Å; A168-R172 PolarHBondContact O-N 3.29Å; R169-R172 PolarHBondContact O-N 3.04Å; F170-R172 VanDerWaalsContact C-N 3.26Å; F170-R172 PolarHBondContact O-N 3.3Å; R172-T175 PolarHBondContact O-N 3.04Å; R172-L176 HydrophobicContact CG-CD1 4.44Å; R172-L176 VanDerWaalsContact O-CG 3.31Å; R172-L176 WeakPolarHBondContact O-CG 3.45Å; R172-L176 PolarHBondContact O-N 2.78Å
173I75.6Confident73.4Confident55 Ų5591.6 Ų91.628%0.28247%0.473SS..Hα-helixtrans-64-46.1178.2-70.3166.7000110.4C82 R169 F170 T175 L176 L177C82-I173 HydrophobicContact CB-CD1 4.43Å; C82-I173 HydrophobicContact CB-CG2 3.94Å; C82-I173 WeakPolarHBondContact SG-CG2 3.37Å; R169-I173 VanDerWaalsContact O-CG1 3.3Å; R169-I173 WeakPolarHBondContact O-CG1 3.08Å; R169-I173 PolarHBondContact O-N 2.83Å; F170-I173 PolarHBondContact O-N 3.05Å; I173-T175 VanDerWaalsContact C-N 3.32Å; I173-T175 PolarHBondContact O-N 2.82Å; I173-L176 WeakPolarHBondContact O-CB 3.39Å; I173-L176 PolarHBondContact O-N 2.92Å; I173-L176 VanDerWaalsContact O-N 3.16Å; I173-L177 WeakPolarHBondContact O-CB 3.29Å; I173-L177 PolarHBondContact O-N 3.16Å
174Y75.5Confident74.7Confident98 Ų9891.8 Ų91.838%0.38447%0.473SS..Hα-helixtrans-60.5-43.7178.3-173.8-105.1000111.3F170 L176 L177 L178F170-Y174 VanDerWaalsContact O-CB 3.26Å; F170-Y174 WeakPolarHBondContact O-CB 3.49Å; F170-Y174 PolarHBondContact O-N 3.44Å; Y174-L176 PolarHBondContact O-N 2.96Å; Y174-L177 WeakPolarHBondContact O-CB 3.42Å; Y174-L177 PolarHBondContact O-N 3.48Å; Y174-L178 HydrophobicContact CD1-CD1 3.84Å; Y174-L178 HydrophobicContact CD1-CG 4.39Å; Y174-L178 HydrophobicContact CE1-CD1 3.43Å; Y174-L178 VanDerWaalsContact CE1-CD1 3.43Å; Y174-L178 HydrophobicContact CE1-CG 4.08Å; Y174-L178 WeakPolarHBondContact O-CG 3.44Å; Y174-L178 PolarHBondContact O-N 2.79Å
175T78.9Confident75.7Confident62 Ų6286.7 Ų86.738%0.3846%0.459SS..Hα-helixtrans-61.8-42.3174.5-58.30000112E171 R172 I173 L178 K179E171-T175 VanDerWaalsContact O-CB 3.28Å; E171-T175 WeakPolarHBondContact O-CB 3.11Å; E171-T175 PolarHBondContact O-N 2.89Å; E171-T175 PolarHBondContact O-OG1 3.44Å; R172-T175 PolarHBondContact O-N 3.04Å; I173-T175 VanDerWaalsContact C-N 3.32Å; I173-T175 PolarHBondContact O-N 2.82Å; T175-L178 PolarHBondContact O-N 3.13Å; T175-K179 WeakPolarHBondContact O-CG 3.32Å; T175-K179 PolarHBondContact O-N 3.1Å
176L79.8Confident76.4Confident98 Ų9887.7 Ų87.751%0.51346%0.461SS..Hα-helixtrans-63.2-42.9175.7-74.4169000111.4R172 I173 Y174 L178 K179 V180R172-L176 HydrophobicContact CG-CD1 4.44Å; R172-L176 VanDerWaalsContact O-CG 3.31Å; R172-L176 WeakPolarHBondContact O-CG 3.45Å; R172-L176 PolarHBondContact O-N 2.78Å; I173-L176 WeakPolarHBondContact O-CB 3.39Å; I173-L176 PolarHBondContact O-N 2.92Å; I173-L176 VanDerWaalsContact O-N 3.16Å; Y174-L176 PolarHBondContact O-N 2.96Å; L176-L178 PolarHBondContact O-N 3.08Å; L176-K179 PolarHBondContact O-N 2.9Å; L176-V180 WeakPolarHBondContact O-CG2 3.45Å; L176-V180 PolarHBondContact O-N 2.77Å
177L77.9Confident77.3Confident57 Ų5789.5 Ų89.530%0.29847%0.471SS..Hα-helixtrans-61.7-43.8177.8-165.385.9000111.7A78 I173 Y174 V180 S181A78-L177 HydrophobicContact CB-CD1 3.87Å; A78-L177 HydrophobicContact CB-CD2 3.81Å; I173-L177 WeakPolarHBondContact O-CB 3.29Å; I173-L177 PolarHBondContact O-N 3.16Å; Y174-L177 WeakPolarHBondContact O-CB 3.42Å; Y174-L177 PolarHBondContact O-N 3.48Å; L177-V180 PolarHBondContact O-N 3.31Å; L177-S181 WeakPolarHBondContact O-CB 3.32Å; L177-S181 PolarHBondContact O-N 3.25Å; L177-S181 PolarHBondContact O-OG 2.99Å
178L77.4Confident78Confident90 Ų9089.6 Ų89.647%0.47147%0.468SS..Hα-helixtrans-62.2-42.7176.1-75.4176.7000111.7Y174 T175 L176 S181 A182Y174-L178 HydrophobicContact CD1-CD1 3.84Å; Y174-L178 HydrophobicContact CD1-CG 4.39Å; Y174-L178 HydrophobicContact CE1-CD1 3.43Å; Y174-L178 VanDerWaalsContact CE1-CD1 3.43Å; Y174-L178 HydrophobicContact CE1-CG 4.08Å; Y174-L178 WeakPolarHBondContact O-CG 3.44Å; Y174-L178 PolarHBondContact O-N 2.79Å; T175-L178 PolarHBondContact O-N 3.13Å; L176-L178 PolarHBondContact O-N 3.08Å; L178-S181 PolarHBondContact O-N 2.87Å; L178-A182 WeakPolarHBondContact O-CB 3.41Å; L178-A182 PolarHBondContact O-N 3.03Å
179K84.6Confident78.6Confident135 Ų13590.4 Ų90.459%0.58747%0.466SS*.Hα-helixtrans-62.2-48.2176.2-76.4-179.2178.3-175.30111.9T175 L176 S181 A182 S183T175-K179 WeakPolarHBondContact O-CG 3.32Å; T175-K179 PolarHBondContact O-N 3.1Å; L176-K179 PolarHBondContact O-N 2.9Å; K179-S181 VanDerWaalsContact C-N 3.32Å; K179-S181 PolarHBondContact O-N 2.97Å; K179-A182 PolarHBondContact O-N 3.18Å; K179-S183 PolarHBondContact O-N 3.46Å; K179-S183 PolarHBondContact O-OG 2.82Å
180V80.6Confident79.5Confident82 Ų8288.6 Ų88.650%0.49747%0.466SS..Hα-helixtrans-60.6-43.5177.8171.90000110.7L176 L177 A182 S183 I184L176-V180 WeakPolarHBondContact O-CG2 3.45Å; L176-V180 PolarHBondContact O-N 2.77Å; L177-V180 PolarHBondContact O-N 3.31Å; V180-A182 VanDerWaalsContact C-N 3.34Å; V180-A182 PolarHBondContact O-N 2.67Å; V180-S183 PolarHBondContact O-N 3.42Å; V180-I184 HydrophobicContact CG1-CD1 3.77Å; V180-I184 HydrophobicContact CG1-CG1 4.4Å; V180-I184 VanDerWaalsContact O-CG1 3.31Å; V180-I184 WeakPolarHBondContact O-CG1 3.34Å; V180-I184 PolarHBondContact O-N 3.34Å
181S77.1Confident80.1Confident58 Ų5891.7 Ų91.741%0.40648%0.482SS..Hα-helixtrans-63.1-39.3178-58.30000112.5L177 L178 K179 S185L177-S181 WeakPolarHBondContact O-CB 3.32Å; L177-S181 PolarHBondContact O-N 3.25Å; L177-S181 PolarHBondContact O-OG 2.99Å; L178-S181 PolarHBondContact O-N 2.87Å; K179-S181 VanDerWaalsContact C-N 3.32Å; K179-S181 PolarHBondContact O-N 2.97Å; S181-S185 WeakPolarHBondContact O-CB 3.36Å; S181-S185 PolarHBondContact O-N 3.47Å; S181-S185 PolarHBondContact O-OG 3.39Å
182A79.2Confident80.5Confident59 Ų5992.5 Ų92.549%0.48848%0.484SS..Hα-helixtrans-64.2-46.9174.300000111.4L178 K179 V180 I184 S185 E186L178-A182 WeakPolarHBondContact O-CB 3.41Å; L178-A182 PolarHBondContact O-N 3.03Å; K179-A182 PolarHBondContact O-N 3.18Å; V180-A182 VanDerWaalsContact C-N 3.34Å; V180-A182 PolarHBondContact O-N 2.67Å; A182-I184 PolarHBondContact O-N 2.98Å; A182-S185 WeakPolarHBondContact O-CB 3.23Å; A182-S185 PolarHBondContact O-N 3.08Å; A182-S185 VanDerWaalsContact O-N 3.15Å; A182-E186 PolarHBondContact O-N 2.81Å
183S82.7Confident80.6Confident73 Ų7389.7 Ų89.751%0.5148%0.482SS..Hα-helixtrans-62.4-39.3177.8-61.60000113K179 V180 S185 E186 L187K179-S183 PolarHBondContact O-N 3.46Å; K179-S183 PolarHBondContact O-OG 2.82Å; V180-S183 PolarHBondContact O-N 3.42Å; S183-S185 VanDerWaalsContact C-N 3.33Å; S183-E186 PolarHBondContact O-N 3.33Å; S183-L187 WeakPolarHBondContact O-CB 3.46Å; S183-L187 PolarHBondContact O-N 2.93Å
184I81.1Confident81Confident107 Ų10792.9 Ų92.955%0.54950%0.504SS..Hα-helixtrans-64.5-40.7174.6-69.2168.3000110.7V180 A182 L187 N188V180-I184 HydrophobicContact CG1-CD1 3.77Å; V180-I184 HydrophobicContact CG1-CG1 4.4Å; V180-I184 VanDerWaalsContact O-CG1 3.31Å; V180-I184 WeakPolarHBondContact O-CG1 3.34Å; V180-I184 PolarHBondContact O-N 3.34Å; A182-I184 PolarHBondContact O-N 2.98Å; I184-L187 PolarHBondContact O-N 3.02Å; I184-N188 WeakPolarHBondContact O-CB 3.44Å; I184-N188 PolarHBondContact O-N 2.98Å
185S80.4Confident81.2Confident71 Ų7195.6 Ų95.650%0.49752%0.524SS..Hα-helixtrans-64.4-43.3178.5-600000111.8S181 A182 S183 N188 T189S181-S185 WeakPolarHBondContact O-CB 3.36Å; S181-S185 PolarHBondContact O-N 3.47Å; S181-S185 PolarHBondContact O-OG 3.39Å; A182-S185 WeakPolarHBondContact O-CB 3.23Å; A182-S185 PolarHBondContact O-N 3.08Å; A182-S185 VanDerWaalsContact O-N 3.15Å; S183-S185 VanDerWaalsContact C-N 3.33Å; S185-N188 WeakPolarHBondContact O-CB 3.41Å; S185-N188 PolarHBondContact O-N 3.19Å; S185-T189 PolarHBondContact O-N 2.96Å; S185-T189 PolarHBondContact O-OG1 2.93Å
186E83.8Confident80.9Confident120 Ų12099.9 Ų99.956%0.56156%0.557SS**Hα-helixtrans-62.3-43.3175.6-174.5178.6-176.600111.9A182 S183 N188 T189 N190A182-E186 PolarHBondContact O-N 2.81Å; S183-E186 PolarHBondContact O-N 3.33Å; E186-N188 VanDerWaalsContact C-N 3.31Å; E186-N188 PolarHBondContact O-N 2.9Å; E186-T189 WeakPolarHBondContact CA-OG1 3.49Å; E186-T189 PolarHBondContact O-N 3.16Å; E186-T189 PolarHBondContact O-OG1 2.79Å; E186-N190 VanDerWaalsContact O-CG 3.25Å; E186-N190 PolarHBondContact O-N 3.12Å; E186-N190 PolarHBondContact O-ND2 3.02Å
187L80.3Confident81Confident99 Ų99100 Ų10052%0.51856%0.559SS.*Hα-helixtrans-61.7-40.6175.8-172.7130.7000111.6S183 I184 N190 M191S183-L187 WeakPolarHBondContact O-CB 3.46Å; S183-L187 PolarHBondContact O-N 2.93Å; I184-L187 PolarHBondContact O-N 3.02Å; L187-N190 PolarHBondContact O-N 2.79Å; L187-M191 HydrophobicContact CD2-CE 3.66Å; L187-M191 HydrophobicContact CD2-SD 3.92Å; L187-M191 HydrophobicContact CG-CE 4.38Å; L187-M191 WeakPolarHBondContact O-CG 2.95Å; L187-M191 PolarHBondContact O-N 3.42Å
188N83.2Confident81.1Confident88 Ų88102.3 Ų102.347%0.47157%0.573SS.*Hα-helixtrans-65.5-39.1176.3-168.218.6000112.2I184 S185 E186 M191 K192I184-N188 WeakPolarHBondContact O-CB 3.44Å; I184-N188 PolarHBondContact O-N 2.98Å; S185-N188 WeakPolarHBondContact O-CB 3.41Å; S185-N188 PolarHBondContact O-N 3.19Å; E186-N188 VanDerWaalsContact C-N 3.31Å; E186-N188 PolarHBondContact O-N 2.9Å; N188-M191 PolarHBondContact O-N 3.29Å; N188-K192 WeakPolarHBondContact O-CG 3.42Å; N188-K192 PolarHBondContact O-N 2.98Å; N188-K192 VanDerWaalsContact O-N 3.14Å
189T84.5Confident81.3Confident79 Ų79102.9 Ų102.949%0.48558%0.578SS.*Hα-helixtrans-66-39.4174.448.60000112.2S185 E186 K192 L193S185-T189 PolarHBondContact O-N 2.96Å; S185-T189 PolarHBondContact O-OG1 2.93Å; E186-T189 WeakPolarHBondContact CA-OG1 3.49Å; E186-T189 PolarHBondContact O-N 3.16Å; E186-T189 PolarHBondContact O-OG1 2.79Å; T189-K192 PolarHBondContact O-N 2.79Å; T189-L193 PolarHBondContact O-N 3.05Å
190N86.4Confident81.1Confident82 Ų82101.1 Ų101.144%0.43958%0.578SS.*Hα-helixtrans-67.6-39.6177.8-68.3-17.4000111.6E186 L187 K192 L193 V194E186-N190 VanDerWaalsContact O-CG 3.25Å; E186-N190 PolarHBondContact O-N 3.12Å; E186-N190 PolarHBondContact O-ND2 3.02Å; L187-N190 PolarHBondContact O-N 2.79Å; N190-K192 VanDerWaalsContact C-N 3.35Å; N190-K192 PolarHBondContact O-N 2.81Å; N190-L193 WeakPolarHBondContact O-CB 3.47Å; N190-L193 PolarHBondContact O-N 2.68Å; N190-V194 WeakPolarHBondContact O-CG2 3.04Å; N190-V194 PolarHBondContact O-N 2.76Å; N190-V194 VanDerWaalsContact O-N 3.11Å
191M81.7Confident81.2Confident109 Ų109102.3 Ų102.354%0.53758%0.583SS.*Hα-helixtrans-62.8-38.8174.5-77.3-176172.200112.6L187 N188 L193 V194 L195L187-M191 HydrophobicContact CD2-CE 3.66Å; L187-M191 HydrophobicContact CD2-SD 3.92Å; L187-M191 HydrophobicContact CG-CE 4.38Å; L187-M191 WeakPolarHBondContact O-CG 2.95Å; L187-M191 PolarHBondContact O-N 3.42Å; N188-M191 PolarHBondContact O-N 3.29Å; M191-L193 VanDerWaalsContact C-N 3.32Å; M191-L193 PolarHBondContact O-N 2.81Å; M191-V194 PolarHBondContact O-N 2.97Å; M191-L195 WeakPolarHBondContact O-CG 3.45Å; M191-L195 PolarHBondContact O-N 3.27Å; M191-L195 VanDerWaalsContact O-N 3.15Å
192K81.2Confident81.4Confident133 Ų133105.2 Ų105.258%0.57860%0.595SS**Hα-helixtrans-63.3-37.8175-74.8179.7-179.7-1780112.7N188 T189 N190 L195 S196N188-K192 WeakPolarHBondContact O-CG 3.42Å; N188-K192 PolarHBondContact O-N 2.98Å; N188-K192 VanDerWaalsContact O-N 3.14Å; T189-K192 PolarHBondContact O-N 2.79Å; N190-K192 VanDerWaalsContact C-N 3.35Å; N190-K192 PolarHBondContact O-N 2.81Å; K192-L195 PolarHBondContact O-N 3.36Å; K192-S196 PolarHBondContact O-N 2.87Å; K192-S196 PolarHBondContact O-OG 3.01Å
193L81.7Confident81.6Confident129 Ų129108.5 Ų108.568%0.67560%0.602SS**Hα-helixtrans-66.5-36.1175.8-84.9158.5000112.7T189 N190 M191 L195T189-L193 PolarHBondContact O-N 3.05Å; N190-L193 WeakPolarHBondContact O-CB 3.47Å; N190-L193 PolarHBondContact O-N 2.68Å; M191-L193 VanDerWaalsContact C-N 3.32Å; M191-L193 PolarHBondContact O-N 2.81Å; L193-L195 VanDerWaalsContact C-N 3.35Å
194V83.2Confident81.5Confident122 Ų122111.2 Ų111.274%0.73961%0.61SS**Hα-helixtrans-74.1-26.7178.5173.50000112.4N190 M191N190-V194 WeakPolarHBondContact O-CG2 3.04Å; N190-V194 PolarHBondContact O-N 2.76Å; N190-V194 VanDerWaalsContact O-N 3.11Å; M191-V194 PolarHBondContact O-N 2.97Å
195L80.5Confident81.5Confident154 Ų154111.6 Ų111.681%0.80662%0.615SS**  trans-93.7-3.4-179.2-66.4174000114.3M191 K192 L193M191-L195 WeakPolarHBondContact O-CG 3.45Å; M191-L195 PolarHBondContact O-N 3.27Å; M191-L195 VanDerWaalsContact O-N 3.15Å; K192-L195 PolarHBondContact O-N 3.36Å; L193-L195 VanDerWaalsContact C-N 3.35Å
196S71.7Confident81.7Confident153 Ų153115.3 Ų115.3100%1.0763%0.625SS**  trans-95.20176.9-58.10000111K192K192-S196 PolarHBondContact O-N 2.87Å; K192-S196 PolarHBondContact O-OG 3.01Å

Retrieved 196 of 196 residues in 30.9 ms (Link to these results)

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