A0AA82N809_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N809, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 99 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
1M38.5Very low47.1Very low249 Ų249142.9 Ų142.9100%1.22778%0.781SS**  0120.60-79.8165.5146.100108.3G3M1-G3 PolarHBondContact O-N 3.49Å
2R36.3Very low47.7Very low260 Ų260140.1 Ų140.198%0.98176%0.764SS**  trans-88.6101.9-170.5-163.1177.3-174.9-177.41108.1
3G39.8Very low48.1Very low69 Ų69131.8 Ų131.871%0.71173%0.731SS**  trans-78.4123.4176.800000110.7M1 T5M1-G3 PolarHBondContact O-N 3.49Å; G3-T5 PolarHBondContact O-N 3.42Å
4S44.1Very low48.7Very low107 Ų107130.9 Ų130.975%0.74873%0.725SS**  trans-71.3119.8173.855.50000110V6S4-V6 PolarHBondContact O-N 3.1Å; S4-V6 VanDerWaalsContact O-N 3.1Å
5T47.9Very low49.6Very low129 Ų129129.3 Ų129.379%0.79171%0.714SS**  trans-74.696.5167.3-31.80000107.3G3 V7G3-T5 PolarHBondContact O-N 3.42Å; T5-V7 VanDerWaalsContact C-N 3.35Å; T5-V7 PolarHBondContact O-N 3.01Å
6V53.6Low50.2Low123 Ų123127.3 Ų127.375%0.74570%0.698SS**  trans-69.298.7167.1179.50000106.5S4 N8S4-V6 PolarHBondContact O-N 3.1Å; S4-V6 VanDerWaalsContact O-N 3.1Å; V6-N8 PolarHBondContact O-N 2.96Å
7V52Low51.1Low117 Ų117127.1 Ų127.171%0.70969%0.693SS**  trans-61.9100.4170.3178.30000107T5 K9T5-V7 VanDerWaalsContact C-N 3.35Å; T5-V7 PolarHBondContact O-N 3.01Å; V7-K9 PolarHBondContact O-N 2.94Å
8N50.8Low51.9Low133 Ų133127.8 Ų127.871%0.71169%0.685SS**  trans-63.499.1171.3-176.72.7000107.8V6 N10V6-N8 PolarHBondContact O-N 2.96Å; N8-N10 VanDerWaalsContact C-N 3.28Å; N8-N10 PolarHBondContact O-N 2.85Å
9K51.8Low52.7Low166 Ų166126.1 Ų126.172%0.72268%0.675SS**  trans-67.192.1168-76.3176.5176.4172.80107.2V7 T11V7-K9 PolarHBondContact O-N 2.94Å; K9-T11 HydrophobicContact CB-CG2 4.43Å; K9-T11 PolarHBondContact O-N 2.95Å; K9-T11 PolarHBondContact O-OG1 3.46Å
10N51.2Low53.2Low127 Ų127122.2 Ų122.268%0.67965%0.654SS**  trans-70.359.9169.357.5-9.7000110.9N8 N12 G13N8-N10 VanDerWaalsContact C-N 3.28Å; N8-N10 PolarHBondContact O-N 2.85Å; N10-N12 PolarHBondContact O-N 3.27Å; N10-G13 PolarHBondContact O-N 2.99Å
11T52.5Low53.9Low92 Ų92119.9 Ų119.956%0.56464%0.644SS**THydrogen-bonded Turntrans-60.9-7.2173.239.40000113.7K9K9-T11 HydrophobicContact CB-CG2 4.43Å; K9-T11 PolarHBondContact O-N 2.95Å; K9-T11 PolarHBondContact O-OG1 3.46Å
12N53.7Low55.3Low109 Ų109113 Ų11358%0.58361%0.607SS**Hα-helixtrans-74.5-26.3177.8-145.552.6000112.9N10 Q16N10-N12 PolarHBondContact O-N 3.27Å; N12-Q16 WeakPolarHBondContact O-CG 3.29Å; N12-Q16 PolarHBondContact O-N 3.15Å
13G53.3Low56.7Low32 Ų32102.2 Ų102.233%0.3357%0.569SS.*Hα-helixtrans-69.7-41.4179.700000112.9N10 N15 Q16 M17N10-G13 PolarHBondContact O-N 2.99Å; G13-N15 VanDerWaalsContact C-N 3.33Å; G13-N15 PolarHBondContact O-N 3.03Å; G13-Q16 PolarHBondContact O-N 3.25Å; G13-M17 PolarHBondContact O-N 3.42Å
14D57Low57.9Low120 Ų120103.9 Ų103.964%0.64256%0.558SS**Hα-helixtrans-64.9-38.4-179.1-64-23.4000111.8M17 Y18D14-M17 PolarHBondContact O-N 2.91Å; D14-Y18 VanDerWaalsContact O-CB 3.29Å; D14-Y18 WeakPolarHBondContact O-CB 3.44Å; D14-Y18 PolarHBondContact O-N 3.02Å
15N62Low58.8Low106 Ų106102.1 Ų102.157%0.56754%0.543SS*.Hα-helixtrans-66.9-36.7177.5-71.7-20.6000112.3G13 L19G13-N15 VanDerWaalsContact C-N 3.33Å; G13-N15 PolarHBondContact O-N 3.03Å; N15-L19 WeakPolarHBondContact O-CB 3.49Å; N15-L19 PolarHBondContact O-N 3.48Å
16Q59.1Low59.6Low98 Ų9899.1 Ų99.146%0.45852%0.522SS..Hα-helixtrans-69.7-45.1177-72.8-179.2-1500111.4N12 G13 Y18 L19 L20N12-Q16 WeakPolarHBondContact O-CG 3.29Å; N12-Q16 PolarHBondContact O-N 3.15Å; G13-Q16 PolarHBondContact O-N 3.25Å; Q16-Y18 VanDerWaalsContact C-N 3.34Å; Q16-Y18 PolarHBondContact O-N 3.41Å; Q16-L19 PolarHBondContact O-N 3.29Å; Q16-L20 WeakPolarHBondContact O-CG 3.43Å; Q16-L20 PolarHBondContact O-N 2.7Å
17M65.1Low60Low123 Ų12394.9 Ų94.961%0.60650%0.497SS*.Hα-helixtrans-60-45.2174.8-75.1-65.3-70.500111.2G13 D14 L19 L20 T21G13-M17 PolarHBondContact O-N 3.42Å; D14-M17 PolarHBondContact O-N 2.91Å; M17-L19 VanDerWaalsContact C-N 3.35Å; M17-L19 PolarHBondContact O-N 3.4Å; M17-L20 PolarHBondContact O-N 3.01Å; M17-T21 PolarHBondContact O-N 2.92Å; M17-T21 PolarHBondContact O-OG1 3.03Å
18Y66.4Low60.5Low141 Ų14196.3 Ų96.355%0.55350%0.5SS*.Hα-helixtrans-59-44.1176.6-178.5-102.2000112.7D14 Q16 T21 K22D14-Y18 VanDerWaalsContact O-CB 3.29Å; D14-Y18 WeakPolarHBondContact O-CB 3.44Å; D14-Y18 PolarHBondContact O-N 3.02Å; Q16-Y18 VanDerWaalsContact C-N 3.34Å; Q16-Y18 PolarHBondContact O-N 3.41Å; Y18-T21 PolarHBondContact O-N 3.03Å; Y18-K22 HydrophobicContact CD1-CD 4.35Å; Y18-K22 HydrophobicContact CE1-CD 3.7Å; Y18-K22 HydrophobicContact CE1-CG 4.39Å; Y18-K22 PolarHBondContact O-N 3.27Å; Y18-K22 WeakPolarHBondContact OH-CE 3.01Å; Y18-K22 PolarHBondContact OH-NZ 3.4Å
19L65.5Low60.9Low94 Ų9495.8 Ų95.849%0.49250%0.498SS..Hα-helixtrans-64.1-45.6177.8-174.366000111.1N15 Q16 M17 T21 K22 L23N15-L19 WeakPolarHBondContact O-CB 3.49Å; N15-L19 PolarHBondContact O-N 3.48Å; Q16-L19 PolarHBondContact O-N 3.29Å; M17-L19 VanDerWaalsContact C-N 3.35Å; M17-L19 PolarHBondContact O-N 3.4Å; L19-T21 PolarHBondContact O-N 3.01Å; L19-K22 PolarHBondContact O-N 3.46Å; L19-L23 HydrophobicContact CG-CD1 4.11Å; L19-L23 HydrophobicContact CG-CG 4.47Å; L19-L23 VanDerWaalsContact O-CG 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.5Å; L19-L23 PolarHBondContact O-N 2.8Å
20L64.4Low61.2Low49 Ų4988.9 Ų88.926%0.25747%0.47SS..Hα-helixtrans-60-45177.3-77.3169.9000111.9Q16 M17 K22 L23 Q24 V46Q16-L20 WeakPolarHBondContact O-CG 3.43Å; Q16-L20 PolarHBondContact O-N 2.7Å; M17-L20 PolarHBondContact O-N 3.01Å; L20-K22 VanDerWaalsContact C-N 3.34Å; L20-K22 PolarHBondContact O-N 2.87Å; L20-L23 PolarHBondContact O-N 2.98Å; L20-Q24 WeakPolarHBondContact O-CB 3.42Å; L20-Q24 WeakPolarHBondContact O-CG 3.18Å; L20-Q24 PolarHBondContact O-N 3.3Å; L20-V46 HydrophobicContact CD2-CG1 4.01Å
21T67.7Low61.5Low73 Ų7390.6 Ų90.645%0.44848%0.479SS..Hα-helixtrans-61.8-41.8176.6-560000111.6M17 Y18 L19 Q24 T25M17-T21 PolarHBondContact O-N 2.92Å; M17-T21 PolarHBondContact O-OG1 3.03Å; Y18-T21 PolarHBondContact O-N 3.03Å; L19-T21 PolarHBondContact O-N 3.01Å; T21-Q24 PolarHBondContact O-N 3.48Å; T21-T25 WeakPolarHBondContact O-CB 3.45Å; T21-T25 PolarHBondContact O-N 2.95Å; T21-T25 PolarHBondContact O-OG1 3.48Å
22K68Low61.8Low104 Ų10489.2 Ų89.245%0.45247%0.468SS..Hα-helixtrans-62.9-44.9174.8-86.1-167.7167.1177.40112.3Y18 L19 L20 T25 I26Y18-K22 HydrophobicContact CD1-CD 4.35Å; Y18-K22 HydrophobicContact CE1-CD 3.7Å; Y18-K22 HydrophobicContact CE1-CG 4.39Å; Y18-K22 PolarHBondContact O-N 3.27Å; Y18-K22 WeakPolarHBondContact OH-CE 3.01Å; Y18-K22 PolarHBondContact OH-NZ 3.4Å; L19-K22 PolarHBondContact O-N 3.46Å; L20-K22 VanDerWaalsContact C-N 3.34Å; L20-K22 PolarHBondContact O-N 2.87Å; K22-T25 PolarHBondContact O-N 3.45Å; K22-I26 WeakPolarHBondContact O-CG1 3.04Å; K22-I26 PolarHBondContact O-N 2.86Å
23L65.5Low62.1Low34 Ų3491.9 Ų91.918%0.17848%0.477CS..Hα-helixtrans-63.6-42.5178.4-69173.1000111.3L19 L20 T25 I26 S27 F39L19-L23 HydrophobicContact CG-CD1 4.11Å; L19-L23 HydrophobicContact CG-CG 4.47Å; L19-L23 VanDerWaalsContact O-CG 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.5Å; L19-L23 PolarHBondContact O-N 2.8Å; L20-L23 PolarHBondContact O-N 2.98Å; L23-T25 VanDerWaalsContact C-N 3.34Å; L23-T25 PolarHBondContact O-N 3.47Å; L23-I26 PolarHBondContact O-N 3.47Å; L23-S27 WeakPolarHBondContact O-CB 3.29Å; L23-S27 PolarHBondContact O-N 3.12Å; L23-F39 HydrophobicContact CB-CD1 4.21Å; L23-F39 HydrophobicContact CB-CE1 3.72Å; L23-F39 HydrophobicContact CD2-CD1 4.49Å; L23-F39 HydrophobicContact CD2-CE1 3.59Å; L23-F39 HydrophobicContact CD2-CZ 4.37Å; L23-F39 HydrophobicContact CG-CE1 4.22Å; L23-F39 WeakPolarHBondContact O-CE1 3.43Å
24Q63.3Low62.5Low104 Ų10495.2 Ų95.249%0.48649%0.486SS..Hα-helixtrans-60.4-42.2173.6-76.3175.6-26.100112.1L20 T21 I26 S27 L28L20-Q24 WeakPolarHBondContact O-CB 3.42Å; L20-Q24 WeakPolarHBondContact O-CG 3.18Å; L20-Q24 PolarHBondContact O-N 3.3Å; T21-Q24 PolarHBondContact O-N 3.48Å; Q24-I26 PolarHBondContact O-N 2.84Å; Q24-S27 PolarHBondContact O-N 2.74Å; Q24-L28 WeakPolarHBondContact O-CB 3.29Å; Q24-L28 PolarHBondContact O-N 3.46Å
25T65Low62.6Low70 Ų7090.6 Ų90.643%0.42946%0.462SS..Hα-helixtrans-63.6-42.7178.7-54.40000111.5T21 K22 L23 L28 N29T21-T25 WeakPolarHBondContact O-CB 3.45Å; T21-T25 PolarHBondContact O-N 2.95Å; T21-T25 PolarHBondContact O-OG1 3.48Å; K22-T25 PolarHBondContact O-N 3.45Å; L23-T25 VanDerWaalsContact C-N 3.34Å; L23-T25 PolarHBondContact O-N 3.47Å; T25-L28 PolarHBondContact O-N 3.37Å; T25-N29 WeakPolarHBondContact O-CB 3.32Å; T25-N29 PolarHBondContact O-N 3.04Å; T25-N29 PolarHBondContact O-ND2 3.26Å
26I63.3Low62.4Low67 Ų6788.3 Ų88.334%0.34445%0.452SS..Hα-helixtrans-66.9-41176.8-60.8163.6000110.3K22 L23 Q24 L28 N29 S30 F39K22-I26 WeakPolarHBondContact O-CG1 3.04Å; K22-I26 PolarHBondContact O-N 2.86Å; L23-I26 PolarHBondContact O-N 3.47Å; Q24-I26 PolarHBondContact O-N 2.84Å; I26-L28 VanDerWaalsContact C-N 3.35Å; I26-L28 PolarHBondContact O-N 3.37Å; I26-N29 PolarHBondContact O-N 3.27Å; I26-S30 WeakPolarHBondContact O-CB 3.46Å; I26-S30 PolarHBondContact O-N 3.02Å; I26-S30 VanDerWaalsContact O-N 3.09Å; I26-S30 PolarHBondContact O-OG 3.28Å; I26-F39 HydrophobicContact CB-CE1 4.45Å; I26-F39 HydrophobicContact CB-CE2 4.1Å; I26-F39 HydrophobicContact CB-CZ 3.59Å; I26-F39 HydrophobicContact CG2-CE2 3.64Å; I26-F39 HydrophobicContact CG2-CZ 3.48Å; I26-F39 VanDerWaalsContact CG2-CZ 3.48Å
27S62.6Low62.6Low34 Ų3487 Ų8724%0.23845%0.454CS..Hα-helixtrans-64.7-36.3177.2-173.70000113.1L23 Q24 S30L23-S27 WeakPolarHBondContact O-CB 3.29Å; L23-S27 PolarHBondContact O-N 3.12Å; Q24-S27 PolarHBondContact O-N 2.74Å; S27-S30 PolarHBondContact O-OG 3.24Å; S27-S30 VanDerWaalsContact O-OG 3.09Å
28L61.5Low62.3Low147 Ų14785.8 Ų85.877%0.7744%0.443SS*.Hα-helixtrans-72.4-33.5-179.8-171.170.7000111.6Q24 T25 I26Q24-L28 WeakPolarHBondContact O-CB 3.29Å; Q24-L28 PolarHBondContact O-N 3.46Å; T25-L28 PolarHBondContact O-N 3.37Å; I26-L28 VanDerWaalsContact C-N 3.35Å; I26-L28 PolarHBondContact O-N 3.37Å
29N60.5Low62.1Low122 Ų12279.6 Ų79.665%0.65242%0.419SS*.Hα-helixtrans-88.8-6.4-179.8-67.2-20.2000113.4T25 I26 D31T25-N29 WeakPolarHBondContact O-CB 3.32Å; T25-N29 PolarHBondContact O-N 3.04Å; T25-N29 PolarHBondContact O-ND2 3.26Å; I26-N29 PolarHBondContact O-N 3.27Å; N29-D31 PolarHBondContact O-N 2.9Å
30S57Low62Low20 Ų2078 Ų7814%0.1442%0.42CS..  trans-87.9100.917866.70000110.6I26 S27 N32 V35I26-S30 WeakPolarHBondContact O-CB 3.46Å; I26-S30 PolarHBondContact O-N 3.02Å; I26-S30 VanDerWaalsContact O-N 3.09Å; I26-S30 PolarHBondContact O-OG 3.28Å; S27-S30 PolarHBondContact O-OG 3.24Å; S27-S30 VanDerWaalsContact O-OG 3.09Å; S30-N32 PolarHBondContact O-N 3.45Å; S30-N32 VanDerWaalsContact O-N 3.09Å; S30-V35 VanDerWaalsContact CB-CG1 3.45Å; S30-V35 WeakPolarHBondContact OG-CG1 3.38Å
31D58.3Low61.8Low163 Ų16380.2 Ų80.287%0.87243%0.432SS*.  trans-66.7-1.9166.6-75.5-29.9000112.9N29 H33N29-D31 PolarHBondContact O-N 2.9Å; D31-H33 PolarHBondContact O-N 2.94Å
32N59.6Low61.5Low63 Ų6377.5 Ų77.534%0.33741%0.413SS..  trans-89.8105.8179.5-164-23.8000110S30 I34 V35 T36S30-N32 PolarHBondContact O-N 3.45Å; S30-N32 VanDerWaalsContact O-N 3.09Å; N32-I34 PolarHBondContact O-N 3.46Å; N32-I34 VanDerWaalsContact OD1-CB 3.32Å; N32-I34 WeakPolarHBondContact OD1-CB 3.3Å; N32-I34 PolarHBondContact OD1-N 2.86Å; N32-V35 HydrophobicContact CB-CB 4.26Å; N32-V35 HydrophobicContact CB-CG2 3.87Å; N32-V35 WeakPolarHBondContact O-CA 3.25Å; N32-V35 WeakPolarHBondContact O-CB 2.96Å; N32-V35 PolarHBondContact O-N 2.87Å; N32-T36 PolarHBondContact O-N 3.07Å
33H60.1Low61Low165 Ų16577.9 Ų77.976%0.76442%0.417SS*.Hα-helixtrans-49.6-29.7176.7-69.4-70.2000113.9D31 S37D31-H33 PolarHBondContact O-N 2.94Å; H33-S37 WeakPolarHBondContact O-CB 3.35Å; H33-S37 PolarHBondContact O-N 3.39Å
34I61.7Low60.8Low103 Ų10379.5 Ų79.553%0.52843%0.431SS..Hα-helixtrans-64.1-46.6176.4-62.1176.8000110N32 S37 Y38N32-I34 PolarHBondContact O-N 3.46Å; N32-I34 VanDerWaalsContact OD1-CB 3.32Å; N32-I34 WeakPolarHBondContact OD1-CB 3.3Å; N32-I34 PolarHBondContact OD1-N 2.86Å; I34-S37 PolarHBondContact O-N 3.33Å; I34-Y38 HydrophobicContact CG2-CD2 3.65Å; I34-Y38 HydrophobicContact CG2-CE2 3.32Å; I34-Y38 WeakPolarHBondContact O-CD2 3.47Å; I34-Y38 PolarHBondContact O-N 2.9Å
35V57.8Low60.6Low22 Ų2275.4 Ų75.413%0.13341%0.412CS..Hα-helixtrans-63.6-44.7179.8177.70000109.8S30 N32 S37 Y38 F39S30-V35 VanDerWaalsContact CB-CG1 3.45Å; S30-V35 WeakPolarHBondContact OG-CG1 3.38Å; N32-V35 HydrophobicContact CB-CB 4.26Å; N32-V35 HydrophobicContact CB-CG2 3.87Å; N32-V35 WeakPolarHBondContact O-CA 3.25Å; N32-V35 WeakPolarHBondContact O-CB 2.96Å; N32-V35 PolarHBondContact O-N 2.87Å; V35-S37 PolarHBondContact O-N 3.24Å; V35-Y38 PolarHBondContact O-N 2.83Å; V35-F39 HydrophobicContact CG1-CD2 3.58Å; V35-F39 HydrophobicContact CG1-CE2 3.35Å; V35-F39 WeakPolarHBondContact O-CD2 3.41Å; V35-F39 PolarHBondContact O-N 3.42Å
36T57.7Low60.3Low59 Ų5973.3 Ų73.336%0.36240%0.399SS..Hα-helixtrans-60.6-43176.1-48.40000112.9N32 F39 A40N32-T36 PolarHBondContact O-N 3.07Å; T36-F39 WeakPolarHBondContact O-CB 3.39Å; T36-F39 PolarHBondContact O-N 3.34Å; T36-A40 PolarHBondContact O-N 3.5Å
37S62.7Low60.2Low70 Ų7073.4 Ų73.449%0.4941%0.406SS..Hα-helixtrans-63.1-42.1176.4-177.70000111.9H33 I34 V35 F39 A40 N41H33-S37 WeakPolarHBondContact O-CB 3.35Å; H33-S37 PolarHBondContact O-N 3.39Å; I34-S37 PolarHBondContact O-N 3.33Å; V35-S37 PolarHBondContact O-N 3.24Å; S37-F39 PolarHBondContact O-N 3.5Å; S37-A40 PolarHBondContact O-N 3.34Å; S37-N41 PolarHBondContact O-N 3.4Å; S37-N41 PolarHBondContact O-ND2 3.44Å
38Y60.5Low60Low98 Ų9875.6 Ų75.638%0.38441%0.414SS..Hα-helixtrans-63.4-40.8172.9-74.9-62000111.7I34 V35 A40 N41 Y42I34-Y38 HydrophobicContact CG2-CD2 3.65Å; I34-Y38 HydrophobicContact CG2-CE2 3.32Å; I34-Y38 WeakPolarHBondContact O-CD2 3.47Å; I34-Y38 PolarHBondContact O-N 2.9Å; V35-Y38 PolarHBondContact O-N 2.83Å; Y38-A40 PolarHBondContact O-N 2.86Å; Y38-N41 WeakPolarHBondContact O-CB 3.3Å; Y38-N41 PolarHBondContact O-N 3.41Å; Y38-Y42 WeakPolarHBondContact O-CD2 3.34Å; Y38-Y42 PolarHBondContact O-N 2.71Å
39F61.9Low59.7Low10 Ų1072.7 Ų72.74%0.04440%0.399CS..Hα-helixtrans-62.2-39.9176-88.3-70.6000113.7L23 I26 V35 T36 S37 N41 Y42 Q43 F75L23-F39 HydrophobicContact CB-CD1 4.21Å; L23-F39 HydrophobicContact CB-CE1 3.72Å; L23-F39 HydrophobicContact CD2-CD1 4.49Å; L23-F39 HydrophobicContact CD2-CE1 3.59Å; L23-F39 HydrophobicContact CD2-CZ 4.37Å; L23-F39 HydrophobicContact CG-CE1 4.22Å; L23-F39 WeakPolarHBondContact O-CE1 3.43Å; I26-F39 HydrophobicContact CB-CE1 4.45Å; I26-F39 HydrophobicContact CB-CE2 4.1Å; I26-F39 HydrophobicContact CB-CZ 3.59Å; I26-F39 HydrophobicContact CG2-CE2 3.64Å; I26-F39 HydrophobicContact CG2-CZ 3.48Å; I26-F39 VanDerWaalsContact CG2-CZ 3.48Å; V35-F39 HydrophobicContact CG1-CD2 3.58Å; V35-F39 HydrophobicContact CG1-CE2 3.35Å; V35-F39 WeakPolarHBondContact O-CD2 3.41Å; V35-F39 PolarHBondContact O-N 3.42Å; T36-F39 WeakPolarHBondContact O-CB 3.39Å; T36-F39 PolarHBondContact O-N 3.34Å; S37-F39 PolarHBondContact O-N 3.5Å; F39-N41 VanDerWaalsContact C-N 3.3Å; F39-N41 PolarHBondContact O-N 2.93Å; F39-Y42 WeakPolarHBondContact O-CB 3.38Å; F39-Y42 PolarHBondContact O-N 3.46Å; F39-Y42 VanDerWaalsContact O-N 3.13Å; F39-Q43 PolarHBondContact O-N 2.78Å; F39-F75 HydrophobicContact CE1-CZ 4.29Å; F39-F75 HydrophobicContact CE2-CE2 4.07Å; F39-F75 HydrophobicContact CE2-CZ 4.02Å; F39-F75 HydrophobicContact CZ-CE2 4.1Å; F39-F75 AromaticContact CZ-CZ 3.64Å; F39-F75 HydrophobicContact CZ-CZ 3.64Å
40A62.5Low59.5Low62 Ų6270.3 Ų70.351%0.51239%0.389SS..Hα-helixtrans-61.4-41174.400000111.3T36 S37 Y38 Y42 Q43 S44T36-A40 PolarHBondContact O-N 3.5Å; S37-A40 PolarHBondContact O-N 3.34Å; Y38-A40 PolarHBondContact O-N 2.86Å; A40-Y42 VanDerWaalsContact C-N 3.35Å; A40-Q43 PolarHBondContact O-N 3.34Å; A40-S44 PolarHBondContact O-N 3.49Å; A40-S44 VanDerWaalsContact O-N 3.17Å
41N61.1Low59.4Low94 Ų9473.5 Ų73.550%0.50341%0.408SS..Hα-helixtrans-64.9-37.3173.1-75.5-40.1000112.1S37 Y38 F39 S44 I45S37-N41 PolarHBondContact O-N 3.4Å; S37-N41 PolarHBondContact O-ND2 3.44Å; Y38-N41 WeakPolarHBondContact O-CB 3.3Å; Y38-N41 PolarHBondContact O-N 3.41Å; F39-N41 VanDerWaalsContact C-N 3.3Å; F39-N41 PolarHBondContact O-N 2.93Å; N41-S44 WeakPolarHBondContact O-CB 3.24Å; N41-S44 PolarHBondContact O-N 3.26Å; N41-I45 WeakPolarHBondContact O-CG1 3.33Å; N41-I45 PolarHBondContact O-N 2.87Å; N41-I45 VanDerWaalsContact O-N 3.15Å
42Y60.9Low59.1Low16 Ų1671 Ų716%0.06340%0.4CS..Hα-helixtrans-63.2-44.1173.5-84.9-71.6000113.1Y38 F39 A40 S44 I45 V46 F68 H71 C72 F75Y38-Y42 WeakPolarHBondContact O-CD2 3.34Å; Y38-Y42 PolarHBondContact O-N 2.71Å; F39-Y42 WeakPolarHBondContact O-CB 3.38Å; F39-Y42 PolarHBondContact O-N 3.46Å; F39-Y42 VanDerWaalsContact O-N 3.13Å; A40-Y42 VanDerWaalsContact C-N 3.35Å; Y42-S44 PolarHBondContact O-N 2.91Å; Y42-I45 PolarHBondContact O-N 2.92Å; Y42-I45 VanDerWaalsContact O-N 3.15Å; Y42-V46 WeakPolarHBondContact O-CG2 3.5Å; Y42-V46 PolarHBondContact O-N 3.34Å; Y42-F68 HydrophobicContact CD1-CE2 4.39Å; Y42-F68 HydrophobicContact CE1-CE2 4.43Å; Y42-H71 PolarHBondContact OH-O 2.94Å; Y42-C72 WeakPolarHBondContact OH-CA 3.5Å; Y42-C72 PolarHBondContact OH-N 3.19Å; Y42-F75 HydrophobicContact CD2-CD2 4.37Å; Y42-F75 HydrophobicContact CE2-CB 3.73Å; Y42-F75 HydrophobicContact CE2-CD1 4.4Å; Y42-F75 AromaticContact CE2-CD2 3.61Å; Y42-F75 HydrophobicContact CE2-CD2 3.61Å; Y42-F75 HydrophobicContact CE2-CE2 4.31Å; Y42-F75 AromaticContact CE2-CG 3.66Å; Y42-F75 HydrophobicContact CE2-CG 3.66Å; Y42-F75 AromaticContact CZ-CG 3.93Å; Y42-F75 WeakPolarHBondContact OH-CB 3.47Å
43Q58.5Low58.8Low113 Ų11371.4 Ų71.453%0.52841%0.408SS..Hα-helixtrans-59.8-39.1176.7-84.3-149.1-3.900111.8F39 A40 I45 S47F39-Q43 PolarHBondContact O-N 2.78Å; A40-Q43 PolarHBondContact O-N 3.34Å; Q43-I45 PolarHBondContact O-N 2.83Å; Q43-S47 WeakPolarHBondContact O-CB 3.43Å; Q43-S47 PolarHBondContact O-N 3.5Å
44S61.2Low58.6Low68 Ų6868.2 Ų68.248%0.47641%0.41SS..Hα-helixtrans-59.4-46.4174.5-171.80000111.5A40 N41 Y42 S47 I48A40-S44 PolarHBondContact O-N 3.49Å; A40-S44 VanDerWaalsContact O-N 3.17Å; N41-S44 WeakPolarHBondContact O-CB 3.24Å; N41-S44 PolarHBondContact O-N 3.26Å; Y42-S44 PolarHBondContact O-N 2.91Å; S44-S47 PolarHBondContact O-N 3.35Å; S44-I48 WeakPolarHBondContact O-CD1 3.43Å; S44-I48 VanDerWaalsContact O-CG1 3.3Å; S44-I48 WeakPolarHBondContact O-CG1 3.16Å; S44-I48 PolarHBondContact O-N 2.92Å
45I57.5Low58.4Low17 Ų1770.8 Ų70.89%0.08743%0.425CS..Hα-helixtrans-69-42.8-179.1-60.5164.3000112N41 Y42 Q43 S47 I48 L49 L64 F68N41-I45 WeakPolarHBondContact O-CG1 3.33Å; N41-I45 PolarHBondContact O-N 2.87Å; N41-I45 VanDerWaalsContact O-N 3.15Å; Y42-I45 PolarHBondContact O-N 2.92Å; Y42-I45 VanDerWaalsContact O-N 3.15Å; Q43-I45 PolarHBondContact O-N 2.83Å; I45-S47 VanDerWaalsContact C-N 3.33Å; I45-S47 PolarHBondContact O-N 3.18Å; I45-I48 PolarHBondContact O-N 3.46Å; I45-L49 HydrophobicContact CG2-CD1 4.47Å; I45-L49 PolarHBondContact O-N 3.45Å; I45-L64 HydrophobicContact CG2-CD1 4.32Å; I45-F68 HydrophobicContact CG2-CB 4.39Å; I45-F68 HydrophobicContact CG2-CD2 3.8Å
46V60.4Low58.3Low27 Ų2772.5 Ų72.516%0.16443%0.433CS..Hα-helixtrans-65.8-38177.81760000110.8L20 Y42 I48 L49 T50L20-V46 HydrophobicContact CD2-CG1 4.01Å; Y42-V46 WeakPolarHBondContact O-CG2 3.5Å; Y42-V46 PolarHBondContact O-N 3.34Å; V46-I48 VanDerWaalsContact C-N 3.31Å; V46-I48 PolarHBondContact O-N 2.86Å; V46-L49 WeakPolarHBondContact O-CB 3.41Å; V46-L49 PolarHBondContact O-N 2.9Å; V46-L49 VanDerWaalsContact O-N 3.07Å; V46-T50 HydrophobicContact CG1-CG2 4.3Å; V46-T50 WeakPolarHBondContact O-CG2 3.43Å; V46-T50 PolarHBondContact O-N 3.13Å; V46-T50 PolarHBondContact O-OG1 3.37Å
47S60.7Low58.5Low69 Ų6973.1 Ų73.148%0.48344%0.44SS..Hα-helixtrans-57.4-44.5175.6-175.70000111.5Q43 S44 I45 L49 T50 V51Q43-S47 WeakPolarHBondContact O-CB 3.43Å; Q43-S47 PolarHBondContact O-N 3.5Å; S44-S47 PolarHBondContact O-N 3.35Å; I45-S47 VanDerWaalsContact C-N 3.33Å; I45-S47 PolarHBondContact O-N 3.18Å; S47-L49 VanDerWaalsContact C-N 3.26Å; S47-L49 PolarHBondContact O-N 3.45Å; S47-T50 WeakPolarHBondContact CA-OG1 3.5Å; S47-T50 PolarHBondContact O-N 3.29Å; S47-T50 VanDerWaalsContact O-N 3.12Å; S47-T50 PolarHBondContact O-OG1 3.34Å; S47-V51 PolarHBondContact O-N 3.17Å
48I58.2Low58.4Low80 Ų8074.8 Ų74.841%0.4145%0.449SS..Hα-helixtrans-61.3-33.6177.3-62.1163.1000111.7S44 I45 V46 L64S44-I48 WeakPolarHBondContact O-CD1 3.43Å; S44-I48 VanDerWaalsContact O-CG1 3.3Å; S44-I48 WeakPolarHBondContact O-CG1 3.16Å; S44-I48 PolarHBondContact O-N 2.92Å; I45-I48 PolarHBondContact O-N 3.46Å; V46-I48 VanDerWaalsContact C-N 3.31Å; V46-I48 PolarHBondContact O-N 2.86Å; I48-L64 HydrophobicContact CB-CD2 4.36Å; I48-L64 HydrophobicContact CG2-CD1 4.08Å; I48-L64 HydrophobicContact CG2-CD2 3.61Å
49L55.9Low58.3Low85 Ų8574.4 Ų74.445%0.44546%0.458SS..Hα-helixtrans-76.7-27.9176.9-78154.5000113.6I45 V46 S47 L64I45-L49 HydrophobicContact CG2-CD1 4.47Å; I45-L49 PolarHBondContact O-N 3.45Å; V46-L49 WeakPolarHBondContact O-CB 3.41Å; V46-L49 PolarHBondContact O-N 2.9Å; V46-L49 VanDerWaalsContact O-N 3.07Å; S47-L49 VanDerWaalsContact C-N 3.26Å; S47-L49 PolarHBondContact O-N 3.45Å; L49-L64 HydrophobicContact CD2-CD2 3.89Å; L49-L64 HydrophobicContact CG-CD2 3.82Å; L49-L64 HydrophobicContact CG-CG 4.45Å
50T54.8Low58.4Low73 Ų7376.5 Ų76.545%0.44847%0.474SS..Hα-helixtrans-82.6-1418053.80000114V46 S47 P52V46-T50 HydrophobicContact CG1-CG2 4.3Å; V46-T50 WeakPolarHBondContact O-CG2 3.43Å; V46-T50 PolarHBondContact O-N 3.13Å; V46-T50 PolarHBondContact O-OG1 3.37Å; S47-T50 WeakPolarHBondContact CA-OG1 3.5Å; S47-T50 PolarHBondContact O-N 3.29Å; S47-T50 VanDerWaalsContact O-N 3.12Å; S47-T50 PolarHBondContact O-OG1 3.34Å; T50-P52 WeakPolarHBondContact O-CD 3.37Å
51V56.4Low58.4Low87 Ų8777.4 Ų77.453%0.52747%0.47SS..SBendtrans-66.7123.8168.6179.90000107.5S47 S53S47-V51 PolarHBondContact O-N 3.17Å; V51-S53 PolarHBondContact O-N 3.49Å
52P52.1Low58.5Low109 Ų10978.1 Ų78.171%0.70847%0.472SS*.  trans-53.5121.4-179.116-26.9000109.2T50 A54T50-P52 WeakPolarHBondContact O-CD 3.37Å; P52-A54 PolarHBondContact O-N 3.37Å
53S52.9Low58.8Low72 Ų7281.2 Ų81.250%0.50350%0.496SS..SBendtrans-59.627.5-179.1174.50000114.1V51 N55V51-S53 PolarHBondContact O-N 3.49Å; S53-N55 PolarHBondContact O-N 3.15Å; S53-N55 VanDerWaalsContact O-N 3.15Å
54A55Low59.1Low98 Ų9877.1 Ų77.181%0.8148%0.478SS*.THydrogen-bonded Turntrans-69.1-8.2-17800000113.3P52P52-A54 PolarHBondContact O-N 3.37Å
55N57Low59.1Low157 Ų15777 Ų7784%0.8448%0.477SS*.THydrogen-bonded Turntrans-145.318.7-178.8-152.621.5000114.5S53S53-N55 PolarHBondContact O-N 3.15Å; S53-N55 VanDerWaalsContact O-N 3.15Å
56I57Low59.5Low58 Ų5881.9 Ų81.930%0.29750%0.501SS..  trans-98.8112.8-179-56.2-179.6000108.1S60 L61I56-S60 WeakPolarHBondContact CG2-OG 3.07Å; I56-L61 HydrophobicContact CG2-CB 4.46Å
57S61.5Low59.8Low73 Ų7385 Ų8551%0.5151%0.514SS..  trans-56.2142.9175.2-52.20000110.8P59 S60S57-P59 VanDerWaalsContact C-N 3.29Å; S57-S60 PolarHBondContact N-OG 2.91Å; S57-S60 PolarHBondContact O-N 3.36Å; S57-S60 PolarHBondContact O-OG 2.89Å
58P59.9Low59.9Low105 Ų10584.8 Ų84.868%0.68250%0.504SS*.Hα-helixtrans-45.3-40177.7-26.332.1000116.1S60 L61 I62P58-S60 PolarHBondContact O-N 3.36Å; P58-L61 PolarHBondContact O-N 3.48Å; P58-I62 PolarHBondContact O-N 2.8Å
59P59.8Low60.1Low90 Ų9087.3 Ų87.358%0.58451%0.514SS*.Hα-helixtrans-68.2-29.9178.823-33.3000114.6S57 L61 I62 S63S57-P59 VanDerWaalsContact C-N 3.29Å; P59-L61 VanDerWaalsContact C-N 3.34Å; P59-I62 PolarHBondContact O-N 3.14Å; P59-S63 PolarHBondContact O-N 3.15Å
60S62.9Low60.6Low53 Ų5387.2 Ų87.237%0.37152%0.517SS..Hα-helixtrans-74.8-27.4178.544.10000112I56 S57 P58 L64I56-S60 WeakPolarHBondContact CG2-OG 3.07Å; S57-S60 PolarHBondContact N-OG 2.91Å; S57-S60 PolarHBondContact O-N 3.36Å; S57-S60 PolarHBondContact O-OG 2.89Å; P58-S60 PolarHBondContact O-N 3.36Å; S60-L64 VanDerWaalsContact O-CB 3.25Å; S60-L64 WeakPolarHBondContact O-CB 3.39Å; S60-L64 PolarHBondContact O-N 3.47Å
61L62.6Low60.9Low82 Ų8287.6 Ų87.643%0.42951%0.514SS..Hα-helixtrans-69.6-39.8172.8-166.3143.4000111.9I56 P58 P59 L64 S65I56-L61 HydrophobicContact CG2-CB 4.46Å; P58-L61 PolarHBondContact O-N 3.48Å; P59-L61 VanDerWaalsContact C-N 3.34Å; L61-L64 PolarHBondContact O-N 3.25Å; L61-S65 VanDerWaalsContact O-CB 3.29Å; L61-S65 WeakPolarHBondContact O-CB 3.3Å; L61-S65 PolarHBondContact O-N 3.38Å
62I64Low61.2Low108 Ų10885 Ų8555%0.55450%0.499SS*.Hα-helixtrans-65.5-44.8174.6-61.8167.2000110.3P58 P59 L64 S65 M66P58-I62 PolarHBondContact O-N 2.8Å; P59-I62 PolarHBondContact O-N 3.14Å; I62-L64 VanDerWaalsContact C-N 3.34Å; I62-L64 PolarHBondContact O-N 2.88Å; I62-S65 PolarHBondContact O-N 3.43Å; I62-M66 HydrophobicContact CG2-CG 4.23Å; I62-M66 WeakPolarHBondContact O-CB 3.24Å; I62-M66 VanDerWaalsContact O-CG 3.24Å; I62-M66 WeakPolarHBondContact O-CG 2.95Å; I62-M66 PolarHBondContact O-N 3.24Å
63S67.1Low61.8Low81 Ų8182.2 Ų82.257%0.56649%0.485SS*.Hα-helixtrans-59.8-45.4176.8-174.70000111.5P59 S65 M66 H67P59-S63 PolarHBondContact O-N 3.15Å; S63-S65 PolarHBondContact O-N 2.76Å; S63-M66 PolarHBondContact O-N 3.5Å; S63-H67 VanDerWaalsContact O-CB 3.3Å; S63-H67 WeakPolarHBondContact O-CB 3.15Å; S63-H67 PolarHBondContact O-N 3.36Å
64L63.6Low62.3Low28 Ų2881.3 Ų81.315%0.14748%0.479CS..Hα-helixtrans-64.5-40.1177-171.965.7000112I45 I48 L49 S60 L61 I62 H67 F68I45-L64 HydrophobicContact CG2-CD1 4.32Å; I48-L64 HydrophobicContact CB-CD2 4.36Å; I48-L64 HydrophobicContact CG2-CD1 4.08Å; I48-L64 HydrophobicContact CG2-CD2 3.61Å; L49-L64 HydrophobicContact CD2-CD2 3.89Å; L49-L64 HydrophobicContact CG-CD2 3.82Å; L49-L64 HydrophobicContact CG-CG 4.45Å; S60-L64 VanDerWaalsContact O-CB 3.25Å; S60-L64 WeakPolarHBondContact O-CB 3.39Å; S60-L64 PolarHBondContact O-N 3.47Å; L61-L64 PolarHBondContact O-N 3.25Å; I62-L64 VanDerWaalsContact C-N 3.34Å; I62-L64 PolarHBondContact O-N 2.88Å; L64-H67 PolarHBondContact O-N 3.4Å; L64-F68 WeakPolarHBondContact O-CB 3.46Å; L64-F68 PolarHBondContact O-N 3.18Å
65S62.8Low62.6Low66 Ų6677.8 Ų77.846%0.46245%0.445SS..Hα-helixtrans-66.6-40.6176-172.60000112.3L61 I62 S63 F68 H69L61-S65 VanDerWaalsContact O-CB 3.29Å; L61-S65 WeakPolarHBondContact O-CB 3.3Å; L61-S65 PolarHBondContact O-N 3.38Å; I62-S65 PolarHBondContact O-N 3.43Å; S63-S65 PolarHBondContact O-N 2.76Å; S65-F68 PolarHBondContact O-N 2.92Å; S65-H69 WeakPolarHBondContact O-CB 3.16Å; S65-H69 PolarHBondContact O-N 2.85Å
66M66Low63Low118 Ų11875.1 Ų75.158%0.58143%0.431SS*.Hα-helixtrans-66.7-40.5175.8-72-67.9-80.100110.9I62 S63 H69 T70I62-M66 HydrophobicContact CG2-CG 4.23Å; I62-M66 WeakPolarHBondContact O-CB 3.24Å; I62-M66 VanDerWaalsContact O-CG 3.24Å; I62-M66 WeakPolarHBondContact O-CG 2.95Å; I62-M66 PolarHBondContact O-N 3.24Å; S63-M66 PolarHBondContact O-N 3.5Å; M66-H69 PolarHBondContact O-N 3.09Å; M66-T70 WeakPolarHBondContact O-CB 3.48Å; M66-T70 PolarHBondContact O-N 2.99Å; M66-T70 PolarHBondContact O-OG1 3.07Å
67H65Low63.3Low93 Ų9378.2 Ų78.243%0.43144%0.442SS..Hα-helixtrans-61.7-48.2174.4-163.172.7000110.2S63 L64 H69 T70 H71S63-H67 VanDerWaalsContact O-CB 3.3Å; S63-H67 WeakPolarHBondContact O-CB 3.15Å; S63-H67 PolarHBondContact O-N 3.36Å; L64-H67 PolarHBondContact O-N 3.4Å; H67-H69 VanDerWaalsContact C-N 3.35Å; H67-H69 PolarHBondContact O-N 3.38Å; H67-T70 PolarHBondContact O-N 3.35Å; H67-H71 AromaticContact CD2-CD2 3.54Å; H67-H71 AromaticContact CD2-NE2 3.97Å; H67-H71 AromaticContact CE1-CD2 3.36Å; H67-H71 PolarHBondContact CE1-CD2 3.2Å; H67-H71 AromaticContact CE1-NE2 2.94Å; H67-H71 PolarHBondContact CE1-NE2 3.34Å; H67-H71 AromaticContact CG-CD2 3.64Å; H67-H71 AromaticContact CG-NE2 3.96Å; H67-H71 AromaticContact ND1-CD2 3.53Å; H67-H71 AromaticContact ND1-NE2 3.34Å; H67-H71 PolarHBondContact ND1-NE2 2.94Å; H67-H71 AromaticContact NE2-CD2 3.36Å; H67-H71 PolarHBondContact NE2-CD2 2.93Å; H67-H71 AromaticContact NE2-NE2 3.36Å; H67-H71 PolarHBondContact NE2-NE2 3.48Å; H67-H71 WeakPolarHBondContact O-CB 3.14Å; H67-H71 PolarHBondContact O-CD2 3.4Å; H67-H71 PolarHBondContact O-N 3.49Å
68F63.4Low63.4Low65 Ų6579.3 Ų79.329%0.28544%0.438SS..Hα-helixtrans-57.4-46.7175.1-175.5-97.1000111.6Y42 I45 L64 S65 H71 C72Y42-F68 HydrophobicContact CD1-CE2 4.39Å; Y42-F68 HydrophobicContact CE1-CE2 4.43Å; I45-F68 HydrophobicContact CG2-CB 4.39Å; I45-F68 HydrophobicContact CG2-CD2 3.8Å; L64-F68 WeakPolarHBondContact O-CB 3.46Å; L64-F68 PolarHBondContact O-N 3.18Å; S65-F68 PolarHBondContact O-N 2.92Å; F68-H71 PolarHBondContact O-N 3.36Å; F68-C72 HydrophobicContact CD1-CB 4.42Å; F68-C72 HydrophobicContact CE1-CB 4.26Å; F68-C72 WeakPolarHBondContact O-CA 3.36Å; F68-C72 WeakPolarHBondContact O-CB 3.37Å; F68-C72 PolarHBondContact O-N 3.33Å
69H63.4Low63.5Low132 Ų13277.5 Ų77.561%0.61142%0.422SS*.Hα-helixtrans-64.7-43.7-179-164.573.8000112.5S65 M66 H67 H71 C72 A73S65-H69 WeakPolarHBondContact O-CB 3.16Å; S65-H69 PolarHBondContact O-N 2.85Å; M66-H69 PolarHBondContact O-N 3.09Å; H67-H69 VanDerWaalsContact C-N 3.35Å; H67-H69 PolarHBondContact O-N 3.38Å; H69-H71 PolarHBondContact O-N 3.09Å; H69-C72 PolarHBondContact O-N 3.2Å; H69-A73 WeakPolarHBondContact O-CB 3.41Å; H69-A73 PolarHBondContact O-N 3.42Å
70T65.1Low63.6Low84 Ų8479.4 Ų79.452%0.51542%0.423SS..Hα-helixtrans-65.3-42.2-179.2-50.60000111.2M66 H67 S74M66-T70 WeakPolarHBondContact O-CB 3.48Å; M66-T70 PolarHBondContact O-N 2.99Å; M66-T70 PolarHBondContact O-OG1 3.07Å; H67-T70 PolarHBondContact O-N 3.35Å; T70-S74 PolarHBondContact O-N 3.5Å; T70-S74 PolarHBondContact O-OG 3.46Å
71H61.9Low63.5Low80 Ų8083.9 Ų83.937%0.3743%0.432SS..Hα-helixtrans-74.9-39.3177.7-69.8-63.4000112Y42 H67 F68 H69 S74 F75Y42-H71 PolarHBondContact OH-O 2.94Å; H67-H71 AromaticContact CD2-CD2 3.54Å; H67-H71 AromaticContact CD2-NE2 3.97Å; H67-H71 AromaticContact CE1-CD2 3.36Å; H67-H71 PolarHBondContact CE1-CD2 3.2Å; H67-H71 AromaticContact CE1-NE2 2.94Å; H67-H71 PolarHBondContact CE1-NE2 3.34Å; H67-H71 AromaticContact CG-CD2 3.64Å; H67-H71 AromaticContact CG-NE2 3.96Å; H67-H71 AromaticContact ND1-CD2 3.53Å; H67-H71 AromaticContact ND1-NE2 3.34Å; H67-H71 PolarHBondContact ND1-NE2 2.94Å; H67-H71 AromaticContact NE2-CD2 3.36Å; H67-H71 PolarHBondContact NE2-CD2 2.93Å; H67-H71 AromaticContact NE2-NE2 3.36Å; H67-H71 PolarHBondContact NE2-NE2 3.48Å; H67-H71 WeakPolarHBondContact O-CB 3.14Å; H67-H71 PolarHBondContact O-CD2 3.4Å; H67-H71 PolarHBondContact O-N 3.49Å; F68-H71 PolarHBondContact O-N 3.36Å; H69-H71 PolarHBondContact O-N 3.09Å; H71-S74 WeakPolarHBondContact O-CB 3.36Å; H71-S74 PolarHBondContact O-N 3.48Å; H71-F75 PolarHBondContact O-N 2.89Å
72C62Low63.3Low32 Ų3281.7 Ų81.722%0.21642%0.424CS..Hα-helixtrans-63.3-45.2177.8-172.10000112.5Y42 F68 H69 S74 F75 L76Y42-C72 WeakPolarHBondContact OH-CA 3.5Å; Y42-C72 PolarHBondContact OH-N 3.19Å; F68-C72 HydrophobicContact CD1-CB 4.42Å; F68-C72 HydrophobicContact CE1-CB 4.26Å; F68-C72 WeakPolarHBondContact O-CA 3.36Å; F68-C72 WeakPolarHBondContact O-CB 3.37Å; F68-C72 PolarHBondContact O-N 3.33Å; H69-C72 PolarHBondContact O-N 3.2Å; C72-S74 VanDerWaalsContact C-N 3.28Å; C72-S74 PolarHBondContact O-N 3.33Å; C72-F75 PolarHBondContact O-N 3.24Å; C72-F75 VanDerWaalsContact O-N 3.14Å; C72-L76 PolarHBondContact O-N 2.93Å
73A64.5Low62.9Low51 Ų5179.4 Ų79.442%0.42142%0.421SS..Hα-helixtrans-60.6-41.7174.900000111.2H69 F75 L76 F77H69-A73 WeakPolarHBondContact O-CB 3.41Å; H69-A73 PolarHBondContact O-N 3.42Å; A73-F75 VanDerWaalsContact C-N 3.34Å; A73-F75 PolarHBondContact O-N 3.02Å; A73-L76 PolarHBondContact O-N 3.27Å; A73-F77 VanDerWaalsContact O-CB 3.24Å; A73-F77 WeakPolarHBondContact O-CB 3.02Å; A73-F77 PolarHBondContact O-N 3.05Å
74S64.4Low62.5Low54 Ų5482 Ų8238%0.37842%0.422SS..Hα-helixtrans-62.5-40.9175.2-58.20000111.6T70 H71 C72 F77 F78T70-S74 PolarHBondContact O-N 3.5Å; T70-S74 PolarHBondContact O-OG 3.46Å; H71-S74 WeakPolarHBondContact O-CB 3.36Å; H71-S74 PolarHBondContact O-N 3.48Å; C72-S74 VanDerWaalsContact C-N 3.28Å; C72-S74 PolarHBondContact O-N 3.33Å; S74-F77 WeakPolarHBondContact O-CB 3.45Å; S74-F77 PolarHBondContact O-N 3.37Å; S74-F78 WeakPolarHBondContact O-CB 3.36Å; S74-F78 WeakPolarHBondContact O-CD2 3.31Å; S74-F78 PolarHBondContact O-N 2.92Å
75F61Low62.1Low23 Ų2385.4 Ų85.410%0.10144%0.439CS..Hα-helixtrans-67.1-45.6177.3173.1-96.4000113.1F39 Y42 H71 C72 A73 F77 F78 L79F39-F75 HydrophobicContact CE1-CZ 4.29Å; F39-F75 HydrophobicContact CE2-CE2 4.07Å; F39-F75 HydrophobicContact CE2-CZ 4.02Å; F39-F75 HydrophobicContact CZ-CE2 4.1Å; F39-F75 AromaticContact CZ-CZ 3.64Å; F39-F75 HydrophobicContact CZ-CZ 3.64Å; Y42-F75 HydrophobicContact CD2-CD2 4.37Å; Y42-F75 HydrophobicContact CE2-CB 3.73Å; Y42-F75 HydrophobicContact CE2-CD1 4.4Å; Y42-F75 AromaticContact CE2-CD2 3.61Å; Y42-F75 HydrophobicContact CE2-CD2 3.61Å; Y42-F75 HydrophobicContact CE2-CE2 4.31Å; Y42-F75 AromaticContact CE2-CG 3.66Å; Y42-F75 HydrophobicContact CE2-CG 3.66Å; Y42-F75 AromaticContact CZ-CG 3.93Å; Y42-F75 WeakPolarHBondContact OH-CB 3.47Å; H71-F75 PolarHBondContact O-N 2.89Å; C72-F75 PolarHBondContact O-N 3.24Å; C72-F75 VanDerWaalsContact O-N 3.14Å; A73-F75 VanDerWaalsContact C-N 3.34Å; A73-F75 PolarHBondContact O-N 3.02Å; F75-F77 PolarHBondContact O-N 3.4Å; F75-F78 PolarHBondContact O-N 3.49Å; F75-L79 HydrophobicContact CE1-CD2 4.25Å; F75-L79 HydrophobicContact CZ-CD2 4.45Å; F75-L79 VanDerWaalsContact O-CB 3.3Å; F75-L79 WeakPolarHBondContact O-CB 3.49Å; F75-L79 PolarHBondContact O-N 2.86Å
76L65.5Low61.5Low101 Ų10187.6 Ų87.653%0.52944%0.442SS..Hα-helixtrans-61.3-38.1174.9-70.4175.5000110.7C72 A73 H80C72-L76 PolarHBondContact O-N 2.93Å; A73-L76 PolarHBondContact O-N 3.27Å; L76-H80 WeakPolarHBondContact O-CB 3.28Å; L76-H80 PolarHBondContact O-N 2.84Å
77F63.7Low60.9Low123 Ų12385 Ų8554%0.53944%0.435SS..Hα-helixtrans-64.5-46.3174.7-176.8-97.7000112.4A73 S74 F75 R81A73-F77 VanDerWaalsContact O-CB 3.24Å; A73-F77 WeakPolarHBondContact O-CB 3.02Å; A73-F77 PolarHBondContact O-N 3.05Å; S74-F77 WeakPolarHBondContact O-CB 3.45Å; S74-F77 PolarHBondContact O-N 3.37Å; F75-F77 PolarHBondContact O-N 3.4Å; F77-R81 VanDerWaalsContact O-CB 3.31Å; F77-R81 WeakPolarHBondContact O-CB 3.31Å; F77-R81 PolarHBondContact O-N 3.09Å
78F62Low60.4Low96 Ų9685.7 Ų85.742%0.42144%0.44SS..Hα-helixtrans-65.5-44.3176.9-88.7-71.1000111.9S74 F75 H80 R81 S82S74-F78 WeakPolarHBondContact O-CB 3.36Å; S74-F78 WeakPolarHBondContact O-CD2 3.31Å; S74-F78 PolarHBondContact O-N 2.92Å; F75-F78 PolarHBondContact O-N 3.49Å; F78-H80 PolarHBondContact O-N 3.46Å; F78-R81 PolarHBondContact O-N 2.96Å; F78-S82 WeakPolarHBondContact O-CB 3.41Å; F78-S82 PolarHBondContact O-N 3.45Å; F78-S82 PolarHBondContact O-OG 3.21Å
79L62.3Low59.9Low67 Ų6785 Ų8535%0.35144%0.443SS..Hα-helixtrans-62.2-44.5177.7-171.969.1000111.2F75 R81 S82 A83F75-L79 HydrophobicContact CE1-CD2 4.25Å; F75-L79 HydrophobicContact CZ-CD2 4.45Å; F75-L79 VanDerWaalsContact O-CB 3.3Å; F75-L79 WeakPolarHBondContact O-CB 3.49Å; F75-L79 PolarHBondContact O-N 2.86Å; L79-R81 PolarHBondContact O-N 2.77Å; L79-S82 PolarHBondContact O-N 3.23Å; L79-A83 VanDerWaalsContact O-CB 3.31Å; L79-A83 WeakPolarHBondContact O-CB 3.37Å; L79-A83 PolarHBondContact O-N 2.91Å
80H62.6Low59.3Low130 Ų13082.8 Ų82.860%0.60244%0.436SS*.Hα-helixtrans-62.5-41.8175.4178.8-103.1000111.7L76 F78 K84L76-H80 WeakPolarHBondContact O-CB 3.28Å; L76-H80 PolarHBondContact O-N 2.84Å; F78-H80 PolarHBondContact O-N 3.46Å; H80-K84 WeakPolarHBondContact O-CB 3.43Å; H80-K84 PolarHBondContact O-N 3.23Å
81R60.5Low58.7Low147 Ų14785 Ų8556%0.55544%0.44SS*.Hα-helixtrans-67.2-43.2176.9-169.4177-177.9175.21111.8F77 F78 L79 K84 I85F77-R81 VanDerWaalsContact O-CB 3.31Å; F77-R81 WeakPolarHBondContact O-CB 3.31Å; F77-R81 PolarHBondContact O-N 3.09Å; F78-R81 PolarHBondContact O-N 2.96Å; L79-R81 PolarHBondContact O-N 2.77Å; R81-K84 PolarHBondContact O-N 2.98Å; R81-I85 HydrophobicContact CG-CD1 4.09Å; R81-I85 VanDerWaalsContact O-CG1 3.28Å; R81-I85 WeakPolarHBondContact O-CG1 3.19Å; R81-I85 PolarHBondContact O-N 3.34Å
82S58.1Low58.2Low37 Ų3786.8 Ų86.826%0.25945%0.448SS..Hα-helixtrans-64.5-43.4176.9-69.30000111.6F78 L79 K84 I85 H86F78-S82 WeakPolarHBondContact O-CB 3.41Å; F78-S82 PolarHBondContact O-N 3.45Å; F78-S82 PolarHBondContact O-OG 3.21Å; L79-S82 PolarHBondContact O-N 3.23Å; S82-K84 VanDerWaalsContact C-N 3.28Å; S82-K84 PolarHBondContact O-N 3.31Å; S82-I85 PolarHBondContact O-N 3.14Å; S82-I85 VanDerWaalsContact O-N 3.17Å; S82-H86 PolarHBondContact O-CD2 3.22Å; S82-H86 VanDerWaalsContact O-CD2 3.31Å; S82-H86 PolarHBondContact O-N 3.24Å
83A57Low57.6Low60 Ų6091.4 Ų91.450%0.49647%0.467SS..Hα-helixtrans-60.6-38.3174.400000111.9L79 S87L79-A83 VanDerWaalsContact O-CB 3.31Å; L79-A83 WeakPolarHBondContact O-CB 3.37Å; L79-A83 PolarHBondContact O-N 2.91Å; A83-S87 WeakPolarHBondContact O-CB 3.19Å; A83-S87 PolarHBondContact O-N 2.84Å
84K56.8Low56.9Low136 Ų13694.3 Ų94.359%0.59147%0.474SS*.Hα-helixtrans-68.4-37.7175.2-168171.6-178.1174.90112.5H80 R81 S82 S87 M88H80-K84 WeakPolarHBondContact O-CB 3.43Å; H80-K84 PolarHBondContact O-N 3.23Å; R81-K84 PolarHBondContact O-N 2.98Å; S82-K84 VanDerWaalsContact C-N 3.28Å; S82-K84 PolarHBondContact O-N 3.31Å; K84-S87 PolarHBondContact O-N 3.4Å; K84-M88 WeakPolarHBondContact O-CG 3.32Å; K84-M88 PolarHBondContact O-N 3.47Å
85I56.9Low56.3Low98 Ų9897.1 Ų97.150%0.50348%0.484SS..Hα-helixtrans-67.3-43.5175.7-67.6163.4000110.5R81 S82 M88 S89R81-I85 HydrophobicContact CG-CD1 4.09Å; R81-I85 VanDerWaalsContact O-CG1 3.28Å; R81-I85 WeakPolarHBondContact O-CG1 3.19Å; R81-I85 PolarHBondContact O-N 3.34Å; S82-I85 PolarHBondContact O-N 3.14Å; S82-I85 VanDerWaalsContact O-N 3.17Å; I85-M88 PolarHBondContact O-N 2.8Å; I85-S89 VanDerWaalsContact O-CB 3.3Å; I85-S89 WeakPolarHBondContact O-CB 3.42Å; I85-S89 PolarHBondContact O-N 3Å
86H50.2Low55.8Low113 Ų113102.7 Ų102.752%0.52351%0.514SS..Hα-helixtrans-62-45174.5-85.2-84.3000111.3S82 M88 S89 D90S82-H86 PolarHBondContact O-CD2 3.22Å; S82-H86 VanDerWaalsContact O-CD2 3.31Å; S82-H86 PolarHBondContact O-N 3.24Å; H86-M88 VanDerWaalsContact C-N 3.31Å; H86-M88 PolarHBondContact O-N 2.88Å; H86-S89 PolarHBondContact O-N 2.85Å; H86-S89 VanDerWaalsContact O-N 3.13Å; H86-D90 WeakPolarHBondContact O-CB 3.41Å; H86-D90 PolarHBondContact O-N 3.29Å
87S53.1Low55.1Low64 Ų64105.9 Ų105.945%0.44853%0.528SS..Hα-helixtrans-60-37.1176.6178.40000113.5A83 K84 H91A83-S87 WeakPolarHBondContact O-CB 3.19Å; A83-S87 PolarHBondContact O-N 2.84Å; K84-S87 PolarHBondContact O-N 3.4Å; S87-H91 PolarHBondContact O-N 2.88Å; S87-H91 PolarHBondContact O-ND1 2.92Å
88M54.4Low54.4Low107 Ų107111.1 Ų111.153%0.52755%0.545SS..Hα-helixtrans-74.8-39.4173.4-68.2-153.382.400112.3K84 I85 H86 D90 H91 H92K84-M88 WeakPolarHBondContact O-CG 3.32Å; K84-M88 PolarHBondContact O-N 3.47Å; I85-M88 PolarHBondContact O-N 2.8Å; H86-M88 VanDerWaalsContact C-N 3.31Å; H86-M88 PolarHBondContact O-N 2.88Å; M88-D90 VanDerWaalsContact C-N 3.32Å; M88-D90 PolarHBondContact O-N 3.31Å; M88-H91 WeakPolarHBondContact O-CB 3.43Å; M88-H91 PolarHBondContact O-N 3.17Å; M88-H92 PolarHBondContact O-CD2 2.8Å; M88-H92 PolarHBondContact O-N 3.13Å
89S52Low53.9Low50 Ų50116 Ų11635%0.3557%0.573SS.*Hα-helixtrans-62.4-39.4176.4-168.50000111.8I85 H86 H92 H93I85-S89 VanDerWaalsContact O-CB 3.3Å; I85-S89 WeakPolarHBondContact O-CB 3.42Å; I85-S89 PolarHBondContact O-N 3Å; H86-S89 PolarHBondContact O-N 2.85Å; H86-S89 VanDerWaalsContact O-N 3.13Å; S89-H92 PolarHBondContact O-N 3.5Å; S89-H93 WeakPolarHBondContact O-CB 3.3Å; S89-H93 PolarHBondContact O-CD2 3.45Å; S89-H93 PolarHBondContact O-N 3.29Å
90D50.4Low53.5Low86 Ų86118.4 Ų118.446%0.4658%0.584SS.*Hα-helixtrans-66.8-39175.4-64.3-24.9000110.7H86 M88 H93 I94H86-D90 WeakPolarHBondContact O-CB 3.41Å; H86-D90 PolarHBondContact O-N 3.29Å; M88-D90 VanDerWaalsContact C-N 3.32Å; M88-D90 PolarHBondContact O-N 3.31Å; D90-H93 PolarHBondContact O-N 3.04Å; D90-I94 WeakPolarHBondContact O-CB 3.46Å; D90-I94 WeakPolarHBondContact O-CD1 3.45Å; D90-I94 WeakPolarHBondContact O-CG1 3.45Å; D90-I94 PolarHBondContact O-N 3.48Å
91H52.6Low53Low131 Ų131117.8 Ų117.861%0.60658%0.583SS**Hα-helixtrans-64.3-39.6171.6-84.368.5000112.3S87 M88 I94 L95S87-H91 PolarHBondContact O-N 2.88Å; S87-H91 PolarHBondContact O-ND1 2.92Å; M88-H91 WeakPolarHBondContact O-CB 3.43Å; M88-H91 PolarHBondContact O-N 3.17Å; H91-I94 PolarHBondContact O-N 3.35Å; H91-L95 WeakPolarHBondContact O-CB 3.39Å; H91-L95 PolarHBondContact O-N 3.23Å
92H52.6Low52.6Low117 Ų117116.2 Ų116.254%0.54258%0.584SS.*Hα-helixtrans-69.3-37176.7-75.8-65.3000112M88 S89 L95 L96M88-H92 PolarHBondContact O-CD2 2.8Å; M88-H92 PolarHBondContact O-N 3.13Å; S89-H92 PolarHBondContact O-N 3.5Å; H92-L95 PolarHBondContact O-N 3.46Å; H92-L96 WeakPolarHBondContact O-CB 3.49Å; H92-L96 PolarHBondContact O-N 3.03Å
93H48.9Very low52.2Low129 Ų129120.8 Ų120.860%0.59760%0.604SS**Hα-helixtrans-68-38.6174.1-96.8-78.3000112.7S89 D90 M97S89-H93 WeakPolarHBondContact O-CB 3.3Å; S89-H93 PolarHBondContact O-CD2 3.45Å; S89-H93 PolarHBondContact O-N 3.29Å; D90-H93 PolarHBondContact O-N 3.04Å; H93-M97 PolarHBondContact O-N 2.98Å
94I50.3Low51.9Low112 Ų112124.6 Ų124.657%0.57461%0.61SS**Hα-helixtrans-67.3-40.9175.7-69164.8000110.7D90 H91 M97 W98D90-I94 WeakPolarHBondContact O-CB 3.46Å; D90-I94 WeakPolarHBondContact O-CD1 3.45Å; D90-I94 WeakPolarHBondContact O-CG1 3.45Å; D90-I94 PolarHBondContact O-N 3.48Å; H91-I94 PolarHBondContact O-N 3.35Å; I94-M97 PolarHBondContact O-N 3.49Å; I94-W98 PolarHBondContact O-N 2.81Å
95L50.8Low51.6Low113 Ų113123.9 Ų123.959%0.59261%0.612SS**Hα-helixtrans-67.4-36.7178.2-157.481.3000112.3H91 H92 M97 W98H91-L95 WeakPolarHBondContact O-CB 3.39Å; H91-L95 PolarHBondContact O-N 3.23Å; H92-L95 PolarHBondContact O-N 3.46Å; L95-M97 VanDerWaalsContact C-N 3.29Å; L95-M97 PolarHBondContact O-N 3.49Å; L95-W98 PolarHBondContact O-N 3.25Å
96L50.9Low51.2Low140 Ų140125.7 Ų125.773%0.73362%0.619SS**Hα-helixtrans-71.5-22.7177.9-140.592.4000113.2H92 W98H92-L96 WeakPolarHBondContact O-CB 3.49Å; H92-L96 PolarHBondContact O-N 3.03Å; L96-W98 VanDerWaalsContact C-N 3.35Å
97M51.8Low51.3Low167 Ų167126.7 Ų126.782%0.82363%0.627SS**THydrogen-bonded Turntrans-84.4-7.5174.5-92.2-116.414500113.5H93 I94 L95H93-M97 PolarHBondContact O-N 2.98Å; I94-M97 PolarHBondContact O-N 3.49Å; L95-M97 VanDerWaalsContact C-N 3.29Å; L95-M97 PolarHBondContact O-N 3.49Å
98W48Very low51.2Low234 Ų234131.9 Ų131.989%0.88664%0.642SS**  trans-110.73.6-176.7-105.333.8000114.5I94 L95 L96I94-W98 PolarHBondContact O-N 2.81Å; L95-W98 PolarHBondContact O-N 3.25Å; L96-W98 VanDerWaalsContact C-N 3.35Å
99I51.6Low50.9Low197 Ų197134.2 Ų134.2100%1.0165%0.652SS**  trans-109.10170.9-61.1172.1000108.1

Retrieved 99 of 99 residues in 88.4 ms (Link to these results)