A0A077Z5P2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z5P2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 120 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M61.3Low66.7Low222 Ų222128.7 Ų128.7100%1.09468%0.677SS**  0-21.60-56.2-162.3-164.700114.9A3 L4M1-A3 PolarHBondContact O-N 2.91Å; M1-L4 PolarHBondContact O-N 3.1Å
2K61.9Low65.9Low191 Ų191120.9 Ų120.983%0.8365%0.651SS**Hα-helixtrans-64.7-24.6-176.4-65.3-177.7-179.5179.40116.4S5K2-S5 PolarHBondContact O-OG 3.04Å
3A70.3Confident65.1Low87 Ų87116.2 Ų116.272%0.71964%0.639SS**Hα-helixtrans-72.7-31.6-18000000112.9M1 L6 L7M1-A3 PolarHBondContact O-N 2.91Å; A3-L6 PolarHBondContact O-N 2.64Å; A3-L7 PolarHBondContact O-N 3.28Å
4L67.6Low64.2Low112 Ų112113.9 Ų113.959%0.58663%0.63SS**Hα-helixtrans-68.1-39-178.7-111.4150.2000112M1 L6 L7 F8M1-L4 PolarHBondContact O-N 3.1Å; L4-L6 VanDerWaalsContact C-N 3.28Å; L4-L6 PolarHBondContact O-N 2.97Å; L4-L7 PolarHBondContact O-N 3.12Å; L4-F8 HydrophobicContact CD2-CD2 4.27Å; L4-F8 HydrophobicContact CD2-CE2 3.82Å; L4-F8 WeakPolarHBondContact O-CD2 3.09Å; L4-F8 PolarHBondContact O-N 2.87Å; L4-F8 VanDerWaalsContact O-N 3.14Å
5S67.9Low63.4Low78 Ų78112.6 Ų112.655%0.54563%0.626SS.*Hα-helixtrans-63.9-3317751.20000112.9K2 L9K2-S5 PolarHBondContact O-OG 3.04Å; S5-L9 PolarHBondContact O-N 3.21Å
6L72.9Confident62.7Low113 Ų113111.6 Ų111.659%0.59262%0.624SS**Hα-helixtrans-73-35179.1-143.6124000111.3A3 L4 L9 L10A3-L6 PolarHBondContact O-N 2.64Å; L4-L6 VanDerWaalsContact C-N 3.28Å; L4-L6 PolarHBondContact O-N 2.97Å; L6-L9 PolarHBondContact O-N 2.74Å; L6-L10 HydrophobicContact CD2-CD1 4.16Å; L6-L10 PolarHBondContact O-N 2.82Å
7L69.4Low62.2Low108 Ų108111.2 Ų111.257%0.56563%0.631SS**Hα-helixtrans-66.3-41.8175.1-156.5106.5000111.8A3 L4 L9 L10 L11A3-L7 PolarHBondContact O-N 3.28Å; L4-L7 PolarHBondContact O-N 3.12Å; L7-L9 VanDerWaalsContact C-N 3.31Å; L7-L9 PolarHBondContact O-N 2.94Å; L7-L10 PolarHBondContact O-N 2.93Å; L7-L11 HydrophobicContact CD2-CD1 3.92Å; L7-L11 HydrophobicContact CG-CD1 4.11Å; L7-L11 PolarHBondContact O-N 2.91Å
8F66.7Low61.6Low151 Ų151110.8 Ų110.866%0.66264%0.636SS**Hα-helixtrans-62.3-38.5174-87.1-73000112.3L4 G12L4-F8 HydrophobicContact CD2-CD2 4.27Å; L4-F8 HydrophobicContact CD2-CE2 3.82Å; L4-F8 WeakPolarHBondContact O-CD2 3.09Å; L4-F8 PolarHBondContact O-N 2.87Å; L4-F8 VanDerWaalsContact O-N 3.14Å; F8-G12 PolarHBondContact O-N 2.93Å
9L66.9Low61.1Low137 Ų137110 Ų11072%0.71762%0.624SS**Hα-helixtrans-64.6-41.4176.3-158.8105.1000111.7S5 L6 L7 A13S5-L9 PolarHBondContact O-N 3.21Å; L6-L9 PolarHBondContact O-N 2.74Å; L7-L9 VanDerWaalsContact C-N 3.31Å; L7-L9 PolarHBondContact O-N 2.94Å; L9-A13 WeakPolarHBondContact O-CB 3.33Å; L9-A13 PolarHBondContact O-N 2.74Å
10L64.5Low60.8Low108 Ų108107.4 Ų107.457%0.56561%0.609SS**Hα-helixtrans-70.7-42.7178.9-103.1148.7000113L6 L7 G12 A13 T14L6-L10 HydrophobicContact CD2-CD1 4.16Å; L6-L10 PolarHBondContact O-N 2.82Å; L7-L10 PolarHBondContact O-N 2.93Å; L10-G12 VanDerWaalsContact C-N 3.31Å; L10-A13 PolarHBondContact O-N 3.5Å; L10-T14 PolarHBondContact O-N 3.22Å; L10-T14 VanDerWaalsContact O-N 3.17Å
11L63.8Low60.7Low109 Ų109108.5 Ų108.557%0.57161%0.612SS**Hα-helixtrans-64.6-37.1173.7-104103.3000111.8L7 T14L7-L11 HydrophobicContact CD2-CD1 3.92Å; L7-L11 HydrophobicContact CG-CD1 4.11Å; L7-L11 PolarHBondContact O-N 2.91Å; L11-T14 PolarHBondContact O-OG1 2.62Å; L11-T14 VanDerWaalsContact O-OG1 3.06Å
12G57.2Low60.5Low35 Ų35106.7 Ų106.736%0.36159%0.592SS.*Hα-helixtrans-61.5-45.7172.900000111.6F8 L10 T14 T15F8-G12 PolarHBondContact O-N 2.93Å; L10-G12 VanDerWaalsContact C-N 3.31Å; G12-T14 PolarHBondContact O-N 2.61Å; G12-T15 PolarHBondContact O-N 3.32Å; G12-T15 PolarHBondContact O-OG1 3.4Å
13A56.2Low60Low60 Ų60104.5 Ų104.550%0.49658%0.58SS.*Hα-helixtrans-63.8-37.7-177.900000113.6L9 L10 T15 V16L9-A13 WeakPolarHBondContact O-CB 3.33Å; L9-A13 PolarHBondContact O-N 2.74Å; L10-A13 PolarHBondContact O-N 3.5Å; A13-T15 VanDerWaalsContact C-N 3.34Å; A13-T15 PolarHBondContact O-N 2.63Å; A13-V16 PolarHBondContact O-N 2.88Å
14T52.2Low59Low84 Ų84102.2 Ų102.252%0.51556%0.557SS.*Hα-helixtrans-67.6-34.3179.351.20000112.3L10 L11 G12 V16 S17L10-T14 PolarHBondContact O-N 3.22Å; L10-T14 VanDerWaalsContact O-N 3.17Å; L11-T14 PolarHBondContact O-OG1 2.62Å; L11-T14 VanDerWaalsContact O-OG1 3.06Å; G12-T14 PolarHBondContact O-N 2.61Å; T14-V16 PolarHBondContact O-N 3.4Å; T14-S17 PolarHBondContact O-N 3.39Å; T14-S17 PolarHBondContact O-OG 2.77Å
15T52.2Low58.1Low94 Ų94101.2 Ų101.258%0.57756%0.556SS**Hα-helixtrans-66.5-18.817563.10000114G12 A13G12-T15 PolarHBondContact O-N 3.32Å; G12-T15 PolarHBondContact O-OG1 3.4Å; A13-T15 VanDerWaalsContact C-N 3.34Å; A13-T15 PolarHBondContact O-N 2.63Å
16V53Low56.9Low96 Ų96100.3 Ų100.358%0.58255%0.548SS*.Hα-helixtrans-82.8-22.3177-175.50000111.8A13 T14 S18 F19A13-V16 PolarHBondContact O-N 2.88Å; T14-V16 PolarHBondContact O-N 3.4Å; V16-S18 VanDerWaalsContact C-N 3.31Å; V16-S18 PolarHBondContact O-N 3.07Å; V16-F19 WeakPolarHBondContact O-CB 2.95Å; V16-F19 PolarHBondContact O-N 2.94Å; V16-F19 VanDerWaalsContact O-N 3.14Å
17S53.3Low55.8Low106 Ų10699.2 Ų99.274%0.74154%0.542SS*.Hα-helixtrans-72.1-21.1-175.765.20000114.5T14T14-S17 PolarHBondContact O-N 3.39Å; T14-S17 PolarHBondContact O-OG 2.77Å
18S51.8Low54.8Low104 Ų104100.4 Ų100.473%0.72754%0.543SS*.THydrogen-bonded Turntrans-96.89.5172.956.20000113.4V16 D20V16-S18 VanDerWaalsContact C-N 3.31Å; V16-S18 PolarHBondContact O-N 3.07Å; S18-D20 PolarHBondContact O-N 2.88Å; S18-D20 VanDerWaalsContact O-N 3.09Å
19F52.3Low54Low95 Ų9599.4 Ų99.442%0.41754%0.543SS..  trans-75.6102.2-179.2-144.1-91.8000109.8V16 I21 V24 L27V16-F19 WeakPolarHBondContact O-CB 2.95Å; V16-F19 PolarHBondContact O-N 2.94Å; V16-F19 VanDerWaalsContact O-N 3.14Å; F19-I21 PolarHBondContact O-N 3.03Å; F19-V24 HydrophobicContact CD1-CG2 3.61Å; F19-V24 HydrophobicContact CE1-CG2 4.1Å; F19-L27 HydrophobicContact CE1-CD1 3.5Å; F19-L27 VanDerWaalsContact CE1-CD1 3.5Å; F19-L27 HydrophobicContact CE2-CD1 4.5Å; F19-L27 HydrophobicContact CZ-CD1 3.26Å
20D54.3Low53.3Low58 Ų5897.3 Ų97.331%0.3153%0.532SS..  trans-54.8122.3173.7-179.2-14.4000109S18 R22 Y23S18-D20 PolarHBondContact O-N 2.88Å; S18-D20 VanDerWaalsContact O-N 3.09Å; D20-R22 PolarHBondContact O-N 3.19Å; D20-R22 WeakPolarHBondContact OD1-CB 3.32Å; D20-R22 WeakPolarHBondContact OD1-CG 3.42Å; D20-R22 PolarHBondContact OD1-N 2.97Å; D20-R22 IonicContact OD1-NE 3Å; D20-R22 PolarHBondContact OD1-NE 3.27Å; D20-R22 VanDerWaalsContact OD1-NE 3.14Å; D20-R22 IonicContact OD2-CZ 3.81Å; D20-R22 VanDerWaalsContact OD2-CZ 3.27Å; D20-R22 IonicContact OD2-NE 2.73Å; D20-R22 PolarHBondContact OD2-NE 2.94Å; D20-R22 IonicContact OD2-NH2 3.27Å; D20-R22 PolarHBondContact OD2-NH2 2.94Å; D20-Y23 HydrophobicContact CB-CD2 3.83Å; D20-Y23 HydrophobicContact CB-CE2 4.03Å; D20-Y23 PolarHBondContact O-N 3.33Å
21I59Low52.4Low131 Ų13193.6 Ų93.667%0.67252%0.52SS*.Hα-helixtrans-54.3-21.6-177.6-114.1165.8000112.2F19 Y23 V24F19-I21 PolarHBondContact O-N 3.03Å; I21-Y23 PolarHBondContact O-N 2.92Å; I21-V24 HydrophobicContact CG1-CB 4.47Å; I21-V24 HydrophobicContact CG1-CG2 4.27Å; I21-V24 VanDerWaalsContact O-CB 3.26Å; I21-V24 WeakPolarHBondContact O-CB 3.02Å; I21-V24 PolarHBondContact O-N 2.88Å
22R57.2Low51.6Low183 Ų18395.4 Ų95.469%0.69152%0.523SS*.Hα-helixtrans-66.2-22.2175.2-66.6-179.6-74.2-174.3-1.2113.8D20 T25 P26D20-R22 PolarHBondContact O-N 3.19Å; D20-R22 WeakPolarHBondContact OD1-CB 3.32Å; D20-R22 WeakPolarHBondContact OD1-CG 3.42Å; D20-R22 PolarHBondContact OD1-N 2.97Å; D20-R22 IonicContact OD1-NE 3Å; D20-R22 PolarHBondContact OD1-NE 3.27Å; D20-R22 VanDerWaalsContact OD1-NE 3.14Å; D20-R22 IonicContact OD2-CZ 3.81Å; D20-R22 VanDerWaalsContact OD2-CZ 3.27Å; D20-R22 IonicContact OD2-NE 2.73Å; D20-R22 PolarHBondContact OD2-NE 2.94Å; D20-R22 IonicContact OD2-NH2 3.27Å; D20-R22 PolarHBondContact OD2-NH2 2.94Å; R22-T25 PolarHBondContact O-OG1 2.87Å; R22-P26 WeakPolarHBondContact O-CD 3.25Å
23Y51.2Low51.2Low146 Ų14696.9 Ų96.957%0.57353%0.532SS*.Hα-helixtrans-88.5-16.6170.8-61.3-74000112.6D20 I21 P26 L27D20-Y23 HydrophobicContact CB-CD2 3.83Å; D20-Y23 HydrophobicContact CB-CE2 4.03Å; D20-Y23 PolarHBondContact O-N 3.33Å; I21-Y23 PolarHBondContact O-N 2.92Å; Y23-P26 WeakPolarHBondContact O-CD 3Å; Y23-P26 WeakPolarHBondContact O-CG 3.32Å; Y23-L27 WeakPolarHBondContact O-CB 3.38Å; Y23-L27 WeakPolarHBondContact O-CD1 3.27Å; Y23-L27 WeakPolarHBondContact O-CG 3.41Å; Y23-L27 PolarHBondContact O-N 2.92Å
24V49.1Very low50.8Low38 Ų38100.4 Ų100.423%0.2354%0.538CS..Hα-helixtrans-70.1-36.7179.8176.10000111.2F19 I21 L27 F28F19-V24 HydrophobicContact CD1-CG2 3.61Å; F19-V24 HydrophobicContact CE1-CG2 4.1Å; I21-V24 HydrophobicContact CG1-CB 4.47Å; I21-V24 HydrophobicContact CG1-CG2 4.27Å; I21-V24 VanDerWaalsContact O-CB 3.26Å; I21-V24 WeakPolarHBondContact O-CB 3.02Å; I21-V24 PolarHBondContact O-N 2.88Å; V24-L27 PolarHBondContact O-N 3.39Å; V24-F28 HydrophobicContact CB-CD2 4.47Å; V24-F28 HydrophobicContact CG1-CD2 3.24Å; V24-F28 HydrophobicContact CG1-CE2 3.13Å; V24-F28 HydrophobicContact CG1-CZ 4.4Å; V24-F28 WeakPolarHBondContact O-CB 2.91Å; V24-F28 VanDerWaalsContact O-CD2 3.24Å; V24-F28 WeakPolarHBondContact O-CD2 2.99Å; V24-F28 PolarHBondContact O-N 3.22Å
25T48.6Very low50.6Low92 Ų9298.4 Ų98.456%0.56453%0.53SS*.Hα-helixtrans-64.1-47.1178.738.30000114.3R22 I29R22-T25 PolarHBondContact O-OG1 2.87Å; T25-I29 WeakPolarHBondContact O-CG1 3.04Å; T25-I29 PolarHBondContact O-N 2.83Å
26P43.7Very low50.6Low59 Ų59101.4 Ų101.438%0.38354%0.538SS..Hα-helixtrans-70.5-34.3173.224.9-32.1000112.7R22 Y23 I29 I30R22-P26 WeakPolarHBondContact O-CD 3.25Å; Y23-P26 WeakPolarHBondContact O-CD 3Å; Y23-P26 WeakPolarHBondContact O-CG 3.32Å; P26-I29 PolarHBondContact O-N 3.46Å; P26-I30 WeakPolarHBondContact O-CG1 3.25Å; P26-I30 PolarHBondContact O-N 3.47Å
27L50.2Low50.6Low89 Ų8998.5 Ų98.547%0.46653%0.528SS..Hα-helixtrans-71.3-27.5177.1-81.3161.3000113.6F19 Y23 V24 I29 G31F19-L27 HydrophobicContact CE1-CD1 3.5Å; F19-L27 VanDerWaalsContact CE1-CD1 3.5Å; F19-L27 HydrophobicContact CE2-CD1 4.5Å; F19-L27 HydrophobicContact CZ-CD1 3.26Å; Y23-L27 WeakPolarHBondContact O-CB 3.38Å; Y23-L27 WeakPolarHBondContact O-CD1 3.27Å; Y23-L27 WeakPolarHBondContact O-CG 3.41Å; Y23-L27 PolarHBondContact O-N 2.92Å; V24-L27 PolarHBondContact O-N 3.39Å; L27-I29 VanDerWaalsContact C-N 3.33Å; L27-G31 WeakPolarHBondContact O-CA 2.88Å; L27-G31 PolarHBondContact O-N 3.19Å
28F48Very low50.6Low134 Ų13499.6 Ų99.659%0.58852%0.519SS*.Hα-helixtrans-71-30.6169.5-91.4-66.2000112.2V24 K32V24-F28 HydrophobicContact CB-CD2 4.47Å; V24-F28 HydrophobicContact CG1-CD2 3.24Å; V24-F28 HydrophobicContact CG1-CE2 3.13Å; V24-F28 HydrophobicContact CG1-CZ 4.4Å; V24-F28 WeakPolarHBondContact O-CB 2.91Å; V24-F28 VanDerWaalsContact O-CD2 3.24Å; V24-F28 WeakPolarHBondContact O-CD2 2.99Å; V24-F28 PolarHBondContact O-N 3.22Å; F28-K32 VanDerWaalsContact O-CB 3.22Å; F28-K32 WeakPolarHBondContact O-CB 3.34Å; F28-K32 VanDerWaalsContact O-CG 3.25Å; F28-K32 WeakPolarHBondContact O-CG 3.39Å; F28-K32 PolarHBondContact O-N 2.93Å
29I50Low50.7Low130 Ų130100.3 Ų100.367%0.66751%0.514SS*.Hα-helixtrans-74.1-47.7177.2-65168.8000110.1T25 P26 L27 A33T25-I29 WeakPolarHBondContact O-CG1 3.04Å; T25-I29 PolarHBondContact O-N 2.83Å; P26-I29 PolarHBondContact O-N 3.46Å; L27-I29 VanDerWaalsContact C-N 3.33Å; I29-A33 PolarHBondContact O-N 3.47Å
30I51.6Low50.8Low92 Ų9297.6 Ų97.647%0.47251%0.513SS..Hα-helixtrans-69.5-44.9176.9-62.2169.4000110.1P26 K32 A33 E34P26-I30 WeakPolarHBondContact O-CG1 3.25Å; P26-I30 PolarHBondContact O-N 3.47Å; I30-K32 VanDerWaalsContact C-N 3.32Å; I30-K32 PolarHBondContact O-N 2.81Å; I30-A33 WeakPolarHBondContact O-CB 3.28Å; I30-A33 PolarHBondContact O-N 3.28Å; I30-E34 HydrophobicContact CG2-CG 4.4Å; I30-E34 PolarHBondContact O-N 3.38Å
31G46.3Very low51Low31 Ų31100 Ų10032%0.3253%0.525SS..Hα-helixtrans-65.8-27.3179.300000113.8L27 A35L27-G31 WeakPolarHBondContact O-CA 2.88Å; L27-G31 PolarHBondContact O-N 3.19Å; G31-A35 WeakPolarHBondContact O-CA 3.44Å; G31-A35 WeakPolarHBondContact O-CB 3.32Å; G31-A35 PolarHBondContact O-N 2.72Å
32K45.7Very low50.7Low147 Ų14797 Ų9764%0.63951%0.51SS*.Hα-helixtrans-73.2-36.9168.7-83.2-175.5171.8-175.60112.5F28 I30 Q36F28-K32 VanDerWaalsContact O-CB 3.22Å; F28-K32 WeakPolarHBondContact O-CB 3.34Å; F28-K32 VanDerWaalsContact O-CG 3.25Å; F28-K32 WeakPolarHBondContact O-CG 3.39Å; F28-K32 PolarHBondContact O-N 2.93Å; I30-K32 VanDerWaalsContact C-N 3.32Å; I30-K32 PolarHBondContact O-N 2.81Å; K32-Q36 WeakPolarHBondContact O-CB 3.15Å; K32-Q36 WeakPolarHBondContact O-CG 3.45Å; K32-Q36 PolarHBondContact O-N 3.31Å
33A49.3Very low50.4Low65 Ų6590.6 Ų90.654%0.53750%0.5SS..Hα-helixtrans-67.9-44.8175.900000111.2I29 I30 Q36 G37I29-A33 PolarHBondContact O-N 3.47Å; I30-A33 WeakPolarHBondContact O-CB 3.28Å; I30-A33 PolarHBondContact O-N 3.28Å; A33-Q36 PolarHBondContact O-N 3.4Å; A33-G37 PolarHBondContact O-N 3.27Å
34E47.3Very low50.7Low134 Ų13488.3 Ų88.363%0.62651%0.506SS*.Hα-helixtrans-72.5-34.3175.6-72.2-172.2167.200112.2I30 G37 F38I30-E34 HydrophobicContact CG2-CG 4.4Å; I30-E34 PolarHBondContact O-N 3.38Å; E34-G37 PolarHBondContact O-N 3.06Å; E34-F38 WeakPolarHBondContact O-CA 3.21Å; E34-F38 WeakPolarHBondContact O-CB 3.35Å; E34-F38 PolarHBondContact O-N 2.93Å
35A49.8Very low50.8Low43 Ų4393 Ų9336%0.35553%0.529SS..Hα-helixtrans-68.7-33.3174.100000112.3G31 L39G31-A35 WeakPolarHBondContact O-CA 3.44Å; G31-A35 WeakPolarHBondContact O-CB 3.32Å; G31-A35 PolarHBondContact O-N 2.72Å; A35-L39 WeakPolarHBondContact O-CA 3.41Å; A35-L39 WeakPolarHBondContact O-CB 3.46Å; A35-L39 WeakPolarHBondContact O-CD1 3.32Å; A35-L39 WeakPolarHBondContact O-CG 3.47Å; A35-L39 PolarHBondContact O-N 2.82Å
36Q51.4Low50.6Low156 Ų15696.1 Ų96.173%0.72954%0.539SS*.Hα-helixtrans-69.4-42.2172.1-79.3-177.4-2500111.8K32 A33 G40K32-Q36 WeakPolarHBondContact O-CB 3.15Å; K32-Q36 WeakPolarHBondContact O-CG 3.45Å; K32-Q36 PolarHBondContact O-N 3.31Å; A33-Q36 PolarHBondContact O-N 3.4Å; Q36-G40 PolarHBondContact O-N 3.06Å
37G52.2Low50.6Low36 Ų3695.7 Ų95.737%0.37155%0.546SS..Hα-helixtrans-63.9-45.1173.800000112.2A33 E34 G40 I41A33-G37 PolarHBondContact O-N 3.27Å; E34-G37 PolarHBondContact O-N 3.06Å; G37-G40 PolarHBondContact O-N 3.35Å; G37-I41 WeakPolarHBondContact O-CB 3.43Å; G37-I41 WeakPolarHBondContact O-CD1 3.28Å; G37-I41 WeakPolarHBondContact O-CG1 3.4Å; G37-I41 PolarHBondContact O-N 2.93Å
38F54.6Low50.1Low129 Ų12995 Ų9557%0.56656%0.559SS**Hα-helixtrans-71.5-40.8-179.5-169.8-101.4000111.6E34 G40 I41 L42E34-F38 WeakPolarHBondContact O-CA 3.21Å; E34-F38 WeakPolarHBondContact O-CB 3.35Å; E34-F38 PolarHBondContact O-N 2.93Å; F38-G40 VanDerWaalsContact C-N 3.33Å; F38-I41 PolarHBondContact O-N 3.32Å; F38-L42 HydrophobicContact CD1-CD1 4.43Å; F38-L42 HydrophobicContact CE1-CD1 3.72Å; F38-L42 HydrophobicContact CE1-CD2 4.45Å; F38-L42 HydrophobicContact CE2-CD1 4.35Å; F38-L42 HydrophobicContact CZ-CD1 3.67Å; F38-L42 WeakPolarHBondContact O-CA 3.38Å; F38-L42 WeakPolarHBondContact O-CB 3.49Å; F38-L42 PolarHBondContact O-N 3.47Å
39L53.9Low49.7Very low118 Ų11892.3 Ų92.362%0.61857%0.57SS**Hα-helixtrans-67.2-33.3171.7-73.8168000112A35 G43A35-L39 WeakPolarHBondContact O-CA 3.41Å; A35-L39 WeakPolarHBondContact O-CB 3.46Å; A35-L39 WeakPolarHBondContact O-CD1 3.32Å; A35-L39 WeakPolarHBondContact O-CG 3.47Å; A35-L39 PolarHBondContact O-N 2.82Å; L39-G43 WeakPolarHBondContact O-CA 3.49Å; L39-G43 PolarHBondContact O-N 2.71Å
40G54.3Low49Very low39 Ų3989 Ų8940%0.40257%0.567SS.*Hα-helixtrans-66.1-42.6172.300000112.1Q36 G37 F38 S44Q36-G40 PolarHBondContact O-N 3.06Å; G37-G40 PolarHBondContact O-N 3.35Å; F38-G40 VanDerWaalsContact C-N 3.33Å; G40-S44 WeakPolarHBondContact O-CB 3.44Å; G40-S44 PolarHBondContact O-N 2.75Å; G40-S44 PolarHBondContact O-OG 3.43Å
41I58Low48.6Very low109 Ų10990.7 Ų90.756%0.55959%0.588SS**Hα-helixtrans-71-44.3176.5-67.5162.6000110.8G37 F38 S44 L45G37-I41 WeakPolarHBondContact O-CB 3.43Å; G37-I41 WeakPolarHBondContact O-CD1 3.28Å; G37-I41 WeakPolarHBondContact O-CG1 3.4Å; G37-I41 PolarHBondContact O-N 2.93Å; F38-I41 PolarHBondContact O-N 3.32Å; I41-S44 CarbonylContact O-C 3.54Å; I41-S44 PolarHBondContact O-N 3.34Å; I41-S44 VanDerWaalsContact O-N 3.16Å; I41-L45 WeakPolarHBondContact O-CB 3.13Å; I41-L45 PolarHBondContact O-N 2.97Å
42L52Low48.2Very low67 Ų6793.3 Ų93.335%0.35162%0.615SS.*Hα-helixtrans-66.1-39.6176.7-141.885.3000110.3F38 S44 L45 M46F38-L42 HydrophobicContact CD1-CD1 4.43Å; F38-L42 HydrophobicContact CE1-CD1 3.72Å; F38-L42 HydrophobicContact CE1-CD2 4.45Å; F38-L42 HydrophobicContact CE2-CD1 4.35Å; F38-L42 HydrophobicContact CZ-CD1 3.67Å; F38-L42 WeakPolarHBondContact O-CA 3.38Å; F38-L42 WeakPolarHBondContact O-CB 3.49Å; F38-L42 PolarHBondContact O-N 3.47Å; L42-S44 VanDerWaalsContact C-N 3.28Å; L42-S44 PolarHBondContact O-N 3.16Å; L42-L45 PolarHBondContact O-N 2.76Å; L42-M46 WeakPolarHBondContact O-CA 3.09Å; L42-M46 WeakPolarHBondContact O-CB 3.45Å; L42-M46 PolarHBondContact O-N 2.69Å
43G52.5Low47.7Very low48 Ų4888.2 Ų88.250%0.49560%0.604SS.*Hα-helixtrans-60.9-38.3171.700000112.1L39 G47L39-G43 WeakPolarHBondContact O-CA 3.49Å; L39-G43 PolarHBondContact O-N 2.71Å; G43-G47 VanDerWaalsContact O-CA 3.28Å; G43-G47 WeakPolarHBondContact O-CA 3.48Å; G43-G47 PolarHBondContact O-N 2.98Å
44S56.8Low47.2Very low98 Ų9888.5 Ų88.569%0.68561%0.613SS**Hα-helixtrans-74.7-34.8176.7-570000113.1G40 I41 L42G40-S44 WeakPolarHBondContact O-CB 3.44Å; G40-S44 PolarHBondContact O-N 2.75Å; G40-S44 PolarHBondContact O-OG 3.43Å; I41-S44 CarbonylContact O-C 3.54Å; I41-S44 PolarHBondContact O-N 3.34Å; I41-S44 VanDerWaalsContact O-N 3.16Å; L42-S44 VanDerWaalsContact C-N 3.28Å; L42-S44 PolarHBondContact O-N 3.16Å
45L50.4Low47.3Very low137 Ų13789 Ų8972%0.71762%0.619SS**Hα-helixtrans-84.5-41.7-176.2-165.976.7000111.8I41 L42I41-L45 WeakPolarHBondContact O-CB 3.13Å; I41-L45 PolarHBondContact O-N 2.97Å; L42-L45 PolarHBondContact O-N 2.76Å
46M45.6Very low46.8Very low157 Ų15789.1 Ų89.177%0.77363%0.625SS**Hα-helixtrans-82.7-19.2176.7-131.9-170.478.900112L42 G48L42-M46 WeakPolarHBondContact O-CA 3.09Å; L42-M46 WeakPolarHBondContact O-CB 3.45Å; L42-M46 PolarHBondContact O-N 2.69Å; M46-G48 PolarHBondContact O-N 2.85Å
47G43.4Very low46.7Very low51 Ų5186.6 Ų86.653%0.52663%0.625SS.*THydrogen-bonded Turntrans-73.91.4169.500000114.5G43 G49G43-G47 VanDerWaalsContact O-CA 3.28Å; G43-G47 WeakPolarHBondContact O-CA 3.48Å; G43-G47 PolarHBondContact O-N 2.98Å; G47-G49 PolarHBondContact O-N 3.34Å
48G39.8Very low46.8Very low73 Ų7392 Ų9275%0.75364%0.644SS**THydrogen-bonded Turntrans-72.244.1173.700000114.7M46M46-G48 PolarHBondContact O-N 2.85Å
49G40.1Very low46.5Very low78 Ų7893.8 Ų93.880%0.80466%0.659SS**THydrogen-bonded Turntrans-142.67.5-17900000115.9G47G47-G49 PolarHBondContact O-N 3.34Å
50G34.8Very low45.8Very low60 Ų6091.2 Ų91.262%0.61966%0.661SS**SBendtrans-13293.6179.100000111.6G52G50-G52 PolarHBondContact O-N 3.35Å
51S43Very low45.1Very low129 Ų12992.6 Ų92.690%0.90268%0.675SS**  trans-6.3115.7161.753.90000117.4
52G36.8Very low44.4Very low86 Ų8691.9 Ų91.989%0.88769%0.694SS**SBendtrans119.2104.8149.200000115.9G50G50-G52 PolarHBondContact O-N 3.35Å
53G35.7Very low43.9Very low40 Ų4092.3 Ų92.341%0.41272%0.715SS.*  trans127.8-6.2146.800000118.3L55 G56 S57G53-L55 PolarHBondContact O-N 2.93Å; G53-G56 PolarHBondContact O-N 2.77Å; G53-S57 PolarHBondContact O-N 3.07Å; G53-S57 PolarHBondContact O-OG 3.49Å
54G39.7Very low43.3Very low70 Ų7092.7 Ų92.772%0.72272%0.719SS**THydrogen-bonded Turntrans-62.6-12.9179.100000116
55L48.1Very low42.8Very low144 Ų14494.3 Ų94.375%0.75472%0.72SS**THydrogen-bonded Turntrans-124-13173.8-63.1172.6000113.3G53 L59G53-L55 PolarHBondContact O-N 2.93Å; L55-L59 PolarHBondContact O-N 3.01Å
56G39.9Very low42.7Very low46 Ų4696.4 Ų96.447%0.47473%0.73SS.*Hα-helixtrans-73.8-34.3176.900000112.7G53 L58 L59 G60G53-G56 PolarHBondContact O-N 2.77Å; G56-L58 VanDerWaalsContact C-N 3.32Å; G56-L58 PolarHBondContact O-N 3.38Å; G56-L59 PolarHBondContact O-N 2.68Å; G56-G60 WeakPolarHBondContact O-CA 3.18Å; G56-G60 PolarHBondContact O-N 2.79Å
57S50.2Low42.5Very low104 Ų10491.6 Ų91.673%0.72772%0.721SS**Hα-helixtrans-75.9-20.1-179.9-490000113.5G53G53-S57 PolarHBondContact O-N 3.07Å; G53-S57 PolarHBondContact O-OG 3.49Å
58L54.4Low42.7Very low150 Ų15095.7 Ų95.779%0.78573%0.731SS**Hα-helixtrans-88.4-22176.3-68.8170.4000112.5G56G56-L58 VanDerWaalsContact C-N 3.32Å; G56-L58 PolarHBondContact O-N 3.38Å
59L47.4Very low42.9Very low165 Ų165100 Ų10086%0.86473%0.725SS**Hα-helixtrans-120.2-19.7-172.9-153.969.8000115L55 G56L55-L59 PolarHBondContact O-N 3.01Å; G56-L59 PolarHBondContact O-N 2.68Å
60G38.4Very low42.8Very low64 Ų6497 Ų9766%0.6669%0.693SS**SBendtrans-112.9-2.4-167.100000117.8G56G56-G60 WeakPolarHBondContact O-CA 3.18Å; G56-G60 PolarHBondContact O-N 2.79Å
61G40.4Very low43.2Very low68 Ų6897.8 Ų97.870%0.70170%0.702SS**  trans-102.172.3-175.700000114G63G61-G63 VanDerWaalsContact C-N 3.27Å; G61-G63 PolarHBondContact O-N 2.98Å
62G42.5Very low43.4Very low94 Ų9495.1 Ų95.197%0.96969%0.694SS**  trans-69.865.817800000115.2
63G41.4Very low43.9Very low76 Ų7692.2 Ų92.278%0.78466%0.664SS**SBendtrans-171.581.5176.600000113.5G61G61-G63 VanDerWaalsContact C-N 3.27Å; G61-G63 PolarHBondContact O-N 2.98Å
64G41.4Very low44.7Very low57 Ų5796.3 Ų96.359%0.58868%0.676SS**SBendtrans169.4-18.617300000115.6L66 G67G64-L66 PolarHBondContact O-N 3.19Å; G64-G67 PolarHBondContact O-N 3.41Å
65L45.6Very low44.9Very low132 Ų13298.8 Ų98.869%0.69167%0.672SS**THydrogen-bonded Turntrans-60.7-2.8165.5-83.5160.6000113.5
66L47.9Very low44.7Very low180 Ų18094.3 Ų94.394%0.94266%0.661SS**THydrogen-bonded Turntrans-90.7-7.5178.3-133.276.7000114.8G64G64-L66 PolarHBondContact O-N 3.19Å
67G41.8Very low44.9Very low56 Ų5695.3 Ų95.358%0.57767%0.671SS**THydrogen-bonded Turntrans-113-32.7-171.900000116.6G64G64-G67 PolarHBondContact O-N 3.41Å
68N47.1Very low44.6Very low138 Ų13897.1 Ų97.174%0.73867%0.672SS**SBendtrans-130.614.1-172.9-102.9-35.4000114.7G70N68-G70 PolarHBondContact O-N 2.69Å
69R44.7Very low44.2Very low164 Ų16496.9 Ų96.962%0.61967%0.671SS**SBendtrans-89.365.1147.6-101.3-175.8-168.2176.14.3107.1G73 L74R69-G73 CarbonylContact C-O 2.88Å; R69-G73 WeakPolarHBondContact CA-O 3.01Å; R69-G73 VanDerWaalsContact CB-O 3.25Å; R69-G73 WeakPolarHBondContact CB-O 3.41Å; R69-G73 WeakPolarHBondContact CG-O 2.96Å; R69-G73 CarbonylContact O-C 3.4Å; R69-L74 HydrophobicContact CB-CD1 4.35Å; R69-L74 HydrophobicContact CB-CG 4.05Å; R69-L74 WeakPolarHBondContact O-CB 3.44Å; R69-L74 WeakPolarHBondContact O-CD1 3.25Å; R69-L74 WeakPolarHBondContact O-CG 3.22Å; R69-L74 PolarHBondContact O-N 3.34Å
70G38.4Very low44.1Very low14 Ų1493.8 Ų93.814%0.14466%0.661CS.*SBendtrans-153.5-84-176.100000114.9N68 G72 G73 L74 L75 G76N68-G70 PolarHBondContact O-N 2.69Å; G70-G72 PolarHBondContact O-N 2.81Å; G70-G73 VanDerWaalsContact C-N 3.29Å; G70-G73 VanDerWaalsContact N-CA 3.25Å; G70-G73 PolarHBondContact N-O 3.2Å; G70-G73 PolarHBondContact O-N 3.41Å; G70-G73 VanDerWaalsContact O-N 3.07Å; G70-L74 PolarHBondContact O-N 3.05Å; G70-L75 WeakPolarHBondContact O-CA 3.4Å; G70-L75 WeakPolarHBondContact O-CB 3.14Å; G70-L75 PolarHBondContact O-N 3.33Å; G70-G76 PolarHBondContact O-N 2.89Å
71G41.8Very low44.3Very low77 Ų7797.7 Ų97.779%0.79467%0.666SS**THydrogen-bonded Turntrans-80.136.8-173.400000116.2
72G48.9Very low44.5Very low72 Ų72103.5 Ų103.574%0.74267%0.667SS**THydrogen-bonded Turntrans136.110.4-143.500000110.6G70G70-G72 PolarHBondContact O-N 2.81Å
73G45.8Very low44.4Very low25 Ų25109.5 Ų109.526%0.25867%0.67SS.*THydrogen-bonded Turntrans-173.416.2168.800000119.4R69 G70R69-G73 CarbonylContact C-O 2.88Å; R69-G73 WeakPolarHBondContact CA-O 3.01Å; R69-G73 VanDerWaalsContact CB-O 3.25Å; R69-G73 WeakPolarHBondContact CB-O 3.41Å; R69-G73 WeakPolarHBondContact CG-O 2.96Å; R69-G73 CarbonylContact O-C 3.4Å; G70-G73 VanDerWaalsContact C-N 3.29Å; G70-G73 VanDerWaalsContact N-CA 3.25Å; G70-G73 PolarHBondContact N-O 3.2Å; G70-G73 PolarHBondContact O-N 3.41Å; G70-G73 VanDerWaalsContact O-N 3.07Å
74L53.2Low44.6Very low126 Ų126108.2 Ų108.266%0.6666%0.656SS**THydrogen-bonded Turntrans-162.9-22.3156.7-78.1179.9000110.9R69 G70 G76R69-L74 HydrophobicContact CB-CD1 4.35Å; R69-L74 HydrophobicContact CB-CG 4.05Å; R69-L74 WeakPolarHBondContact O-CB 3.44Å; R69-L74 WeakPolarHBondContact O-CD1 3.25Å; R69-L74 WeakPolarHBondContact O-CG 3.22Å; R69-L74 PolarHBondContact O-N 3.34Å; G70-L74 PolarHBondContact O-N 3.05Å; L74-G76 VanDerWaalsContact C-N 3.31Å
75L44.1Very low44.6Very low122 Ų122110.7 Ų110.764%0.63966%0.655SS**G310 helixtrans-77.1-18.5163.3-66170.7000112.3G70 G77 L78G70-L75 WeakPolarHBondContact O-CA 3.4Å; G70-L75 WeakPolarHBondContact O-CB 3.14Å; G70-L75 PolarHBondContact O-N 3.33Å; L75-G77 PolarHBondContact O-N 2.73Å; L75-L78 PolarHBondContact O-N 3Å
76G44.2Very low44.6Very low50 Ų50111.3 Ų111.352%0.51566%0.659SS.*G310 helixtrans-66.9-17.617000000113.7G70 L74 L78G70-G76 PolarHBondContact O-N 2.89Å; L74-G76 VanDerWaalsContact C-N 3.31Å; G76-L78 VanDerWaalsContact C-N 3.3Å
77G43.3Very low44.4Very low68 Ų68106.2 Ų106.270%0.70164%0.639SS**G310 helixtrans-78.5-11.8174.400000114L75L75-G77 PolarHBondContact O-N 2.73Å
78L44.7Very low44.7Very low142 Ų142110 Ų11074%0.74365%0.646SS**G310 helixtrans-115.615.3180-84.9158.4000113.1L75 G76 P80L75-L78 PolarHBondContact O-N 3Å; G76-L78 VanDerWaalsContact C-N 3.3Å; L78-P80 WeakPolarHBondContact O-CD 3.33Å
79L45.5Very low44.4Very low144 Ų144112.6 Ų112.675%0.75465%0.646SS**SBendtrans-86.293.9150.1-90.279.9000107.2N81L79-N81 PolarHBondContact O-N 3.14Å
80P45.3Very low44.5Very low101 Ų101109.5 Ų109.566%0.65664%0.642SS**  trans-64.5127.3166.728.4-32.7000108.1L78L78-P80 WeakPolarHBondContact O-CD 3.33Å
81N43.1Very low44.8Very low145 Ų145116.4 Ų116.478%0.77568%0.676SS**  trans61.8104.8150.3-64.8-42.4000117.6L79L79-N81 PolarHBondContact O-N 3.14Å
82R44.2Very low44.8Very low191 Ų191120.6 Ų120.672%0.72167%0.669SS**  171.393107.1-93.9177.8-164.4-175.33.8110.7G84 I85R82-G84 PolarHBondContact O-N 2.87Å; R82-I85 HydrophobicContact CB-CG1 4.27Å; R82-I85 HydrophobicContact CG-CG1 4.49Å
83Q39.6Very low44.6Very low219 Ų219124.3 Ų124.3100%1.02367%0.672SS**THydrogen-bonded Turntrans-63.646.5139.8-80.7171.2-27.600111
84G45Very low45Very low49 Ų49127.7 Ų127.751%0.50568%0.684SS.*THydrogen-bonded Turntrans-160.622.1-162.700000116.2R82R82-G84 PolarHBondContact O-N 2.87Å
85I42.9Very low44.8Very low110 Ų110133.2 Ų133.256%0.56470%0.698SS**  trans-113.461.1161-48.2-177.9000107.6R82 S87R82-I85 HydrophobicContact CB-CG1 4.27Å; R82-I85 HydrophobicContact CG-CG1 4.49Å; I85-S87 WeakPolarHBondContact CG2-OG 3.24Å; I85-S87 PolarHBondContact O-N 3.33Å
86N44Very low45Very low145 Ų145133.8 Ų133.878%0.77570%0.701SS**  trans-6366.2140-88.9-20.6000107.2N88N86-N88 PolarHBondContact O-N 2.94Å
87S44.1Very low45Very low73 Ų73134.7 Ų134.751%0.5171%0.711SS.*  trans-77.674.8160.4-85.30000106.7I85 Y89I85-S87 WeakPolarHBondContact CG2-OG 3.24Å; I85-S87 PolarHBondContact O-N 3.33Å; S87-Y89 PolarHBondContact O-N 2.75Å
88N48Very low45Very low136 Ų136137.9 Ų137.973%0.72771%0.709SS**  trans-67.714151.4-84.6-13.4000111.5N86N86-N88 PolarHBondContact O-N 2.94Å
89Y42.2Very low44.9Very low191 Ų191142 Ų14275%0.74972%0.715SS**  trans-134.495.3175.5-59.1-77000106S87S87-Y89 PolarHBondContact O-N 2.75Å
90D46.9Very low44.9Very low100 Ų100140.3 Ų140.354%0.53571%0.711SS.*  trans-16743.5141.8-81.4-22.1000107.4Y92D90-Y92 HydrophobicContact CB-CD2 3.83Å; D90-Y92 HydrophobicContact CB-CE2 3.5Å; D90-Y92 PolarHBondContact O-N 3.18Å; D90-Y92 WeakPolarHBondContact OD1-CE2 3.32Å; D90-Y92 PolarHBondContact OD1-OH 3.14Å
91N44.6Very low44.8Very low158 Ų158146 Ų14685%0.84572%0.719SS**  trans-71.479.6147-80.9-14.4000104.7D93N91-D93 PolarHBondContact O-N 3.03Å; N91-D93 VanDerWaalsContact O-N 3.12Å
92Y40.7Very low44.9Very low166 Ų166142 Ų14265%0.65171%0.712SS**  trans-62.3112.3159-69.8-80.6000105.3D90 D94D90-Y92 HydrophobicContact CB-CD2 3.83Å; D90-Y92 HydrophobicContact CB-CE2 3.5Å; D90-Y92 PolarHBondContact O-N 3.18Å; D90-Y92 WeakPolarHBondContact OD1-CE2 3.32Å; D90-Y92 PolarHBondContact OD1-OH 3.14Å; Y92-D94 PolarHBondContact O-N 3.09Å
93D45.7Very low44.9Very low149 Ų149144.6 Ų144.680%0.79772%0.722SS**  trans-61.993.1159.3-74.2-38.6000105.7N91 Y95N91-D93 PolarHBondContact O-N 3.03Å; N91-D93 VanDerWaalsContact O-N 3.12Å; D93-Y95 PolarHBondContact O-N 2.97Å; D93-Y95 VanDerWaalsContact O-N 3.1Å
94D53.1Low45.4Very low96 Ų96137 Ų13751%0.51370%0.702SS.*  trans-55.6123.4167.1-72.1-31.9000106.1Y92 N96 G97Y92-D94 PolarHBondContact O-N 3.09Å; D94-N96 PolarHBondContact O-N 3.29Å; D94-G97 PolarHBondContact O-N 3.2Å
95Y49.5Very low45.7Very low242 Ų242145.7 Ų145.795%0.94972%0.72SS**THydrogen-bonded Turntrans-49.82.1-170.3-84.7-89.6000116.8D93D93-Y95 PolarHBondContact O-N 2.97Å; D93-Y95 VanDerWaalsContact O-N 3.1Å
96N49.2Very low46.2Very low134 Ų134142.2 Ų142.272%0.71771%0.711SS**THydrogen-bonded Turntrans-109.88.4177.9-109.3-8.3000114.7D94 M98D94-N96 PolarHBondContact O-N 3.29Å; N96-M98 PolarHBondContact O-N 3.02Å
97G44Very low47.1Very low69 Ų69145.8 Ų145.871%0.71171%0.713SS**  trans62.84.1175.500000114.1D94 R99D94-G97 PolarHBondContact O-N 3.2Å; G97-R99 PolarHBondContact O-N 3.25Å
98M41.9Very low48.4Very low136 Ų136143.2 Ų143.267%0.6770%0.699SS**  trans-73.691.7166.4-64.2-173.2-171.100104.5N96 T100N96-M98 PolarHBondContact O-N 3.02Å; M98-T100 PolarHBondContact O-N 2.74Å
99R43Very low49.6Very low228 Ų228143.4 Ų143.486%0.8669%0.689SS**  trans-47.3105.7151.8-61.3179.3-158.8179.85103.1G97 R101G97-R99 PolarHBondContact O-N 3.25Å; R99-R101 PolarHBondContact O-N 3.47Å
100T44.7Very low51.4Low109 Ų109141 Ų14167%0.66968%0.679SS**  trans-62.787.7163.4-49.80000101M98 G102M98-T100 PolarHBondContact O-N 2.74Å; T100-G102 PolarHBondContact O-N 3.42Å
101R45Very low53.1Low219 Ų219137.5 Ų137.583%0.82666%0.66SS**  trans-55.991.1164.7-87.5-177-169.9161.9499.1R99 R103R99-R101 PolarHBondContact O-N 3.47Å; R101-R103 PolarHBondContact O-N 3.32Å
102G44.1Very low54.9Low61 Ų61140.5 Ų140.563%0.62966%0.659SS**  trans-43.4113.715900000100.5T100 G104T100-G102 PolarHBondContact O-N 3.42Å; G102-G104 PolarHBondContact O-N 3.35Å
103R44.8Very low57Low247 Ų247142 Ų14293%0.93267%0.67SS**  trans-65.157.8164.3-63-176.9-176.3179.31.2104.5R101 R105R101-R103 PolarHBondContact O-N 3.32Å; R103-R105 PolarHBondContact O-N 3.06Å
104G49Very low58.8Low59 Ų59139.8 Ų139.861%0.60866%0.658SS**  trans-76.488.8178.600000100.3G102 G106G102-G104 PolarHBondContact O-N 3.35Å; G104-G106 PolarHBondContact O-N 3.18Å
105R51.9Low60.3Low232 Ų232140.7 Ų140.788%0.87566%0.663SS**  trans-0102.1158.7-61.2-179.8179.1-173.2-0.9108R103 R107R103-R105 PolarHBondContact O-N 3.06Å; R105-R107 PolarHBondContact O-N 2.74Å
106G54.4Low61.8Low36 Ų36135.1 Ų135.137%0.37165%0.646SS.*  trans-38.4129.5-174.400000108.1G104 G108G104-G106 PolarHBondContact O-N 3.18Å; G106-G108 PolarHBondContact O-N 3.3Å
107R63.2Low63.2Low220 Ų220134.7 Ų134.783%0.8364%0.635SS**  trans-47.8122.3-179.4-68.8-177.1-177.7-163.20.5105.5R105 Y120R105-R107 PolarHBondContact O-N 2.74Å; R107-Y120 HydrophobicContact CB-CD2 3.95Å; R107-Y120 WeakPolarHBondContact O-CB 3.26Å; R107-Y120 WeakPolarHBondContact O-CD2 3.19Å; R107-Y120 PolarHBondContact O-N 3.29Å
108G71.6Confident64.7Low20 Ų20134.4 Ų134.421%0.20662%0.615CS.*EExtended strand (participates in β ladder)trans-131.3148.3-17700000108.9G106 Y117 E118G106-G108 PolarHBondContact O-N 3.3Å; G108-Y117 VanDerWaalsContact C-CZ 3.49Å; G108-Y117 WeakPolarHBondContact CA-OH 3.44Å; G108-Y117 PolarHBondContact O-OH 3.07Å; G108-E118 CarbonylContact C-O 3.33Å; G108-E118 WeakPolarHBondContact CA-O 3.34Å
109R72.3Confident66.5Low139 Ų139133.2 Ų133.253%0.52561%0.611SS.*EExtended strand (participates in β ladder)trans-115.6142.7174.563.8165.9174-156.65.1109.4N111 E118 Y120R109-N111 PolarHBondContact O-N 2.87Å; R109-E118 PolarHBondContact N-O 3.17Å; R109-E118 IonicContact NE-OE2 3.14Å; R109-E118 PolarHBondContact O-N 3.36Å; R109-Y120 WeakPolarHBondContact CD-OH 3.47Å; R109-Y120 HydrophobicContact CG-CE1 4.35Å; R109-Y120 HydrophobicContact CG-CE2 4.48Å; R109-Y120 VanDerWaalsContact CG-OH 3.25Å; R109-Y120 WeakPolarHBondContact CG-OH 3.33Å; R109-Y120 PolarHBondContact NE-OH 2.9Å
110W79.9Confident67.7Low142 Ų142131.5 Ų131.554%0.53861%0.606SS.*EExtended strand (participates in β ladder)trans-70.2113.7167.9-170.8-92.1000109.3R112 N115 Y117W110-R112 PolarHBondContact O-N 3.4Å; W110-N115 VanDerWaalsContact CZ2-OD1 3.28Å; W110-N115 WeakPolarHBondContact CZ2-OD1 3.39Å; W110-Y117 HydrophobicContact CB-CD2 4.32Å; W110-Y117 AromaticContact CE3-CD2 4Å; W110-Y117 HydrophobicContact CE3-CD2 4Å; W110-Y117 HydrophobicContact CE3-CG 4.41Å
111N81.8Confident68.8Low26 Ų26132.6 Ų132.614%0.13960%0.603CS.*EExtended strand (participates in β ladder)trans-83.5106.2172-172.2-13.1000109.2R109 F113 N115 Q116 E118R109-N111 PolarHBondContact O-N 2.87Å; N111-F113 VanDerWaalsContact C-N 3.26Å; N111-F113 PolarHBondContact O-N 3.27Å; N111-F113 WeakPolarHBondContact OD1-CB 3.4Å; N111-F113 WeakPolarHBondContact OD1-CD2 3.4Å; N111-F113 PolarHBondContact OD1-N 3.37Å; N111-N115 VanDerWaalsContact O-CA 3.32Å; N111-N115 WeakPolarHBondContact O-CA 3.38Å; N111-N115 PolarHBondContact O-N 3.35Å; N111-Q116 PolarHBondContact N-O 3.31Å; N111-Q116 PolarHBondContact O-N 3.18Å; N111-E118 HydrophobicContact CB-CG 4.06Å; N111-E118 WeakPolarHBondContact CB-OE1 3.48Å; N111-E118 PolarHBondContact ND2-OE1 3.14Å
112R82.7Confident70.1Confident220 Ų220128.1 Ų128.183%0.8359%0.591SS**THydrogen-bonded Turntrans-66.9-24.2178.3-72.7-173.6-83.8-176.8-5.1113.5W110W110-R112 PolarHBondContact O-N 3.4Å
113F84.4Confident71.5Confident197 Ų197131.8 Ų131.886%0.86459%0.589SS**THydrogen-bonded Turntrans-70.3-42.6-179.7-67.9-80.3000111.7N111N111-F113 VanDerWaalsContact C-N 3.26Å; N111-F113 PolarHBondContact O-N 3.27Å; N111-F113 WeakPolarHBondContact OD1-CB 3.4Å; N111-F113 WeakPolarHBondContact OD1-CD2 3.4Å; N111-F113 PolarHBondContact OD1-N 3.37Å
114N85Confident73.1Confident103 Ų103125 Ų12555%0.55157%0.569SS**THydrogen-bonded Turntrans-99.4-0.4179-65.4-21.5000113Q116N114-Q116 WeakPolarHBondContact O-CG 3.43Å; N114-Q116 PolarHBondContact O-N 3.47Å
115N83.7Confident74.6Confident115 Ų115129.1 Ų129.162%0.61557%0.566SS**THydrogen-bonded Turntrans50.241.3-173.7-160.542.3000113.4W110 N111W110-N115 VanDerWaalsContact CZ2-OD1 3.28Å; W110-N115 WeakPolarHBondContact CZ2-OD1 3.39Å; N111-N115 VanDerWaalsContact O-CA 3.32Å; N111-N115 WeakPolarHBondContact O-CA 3.38Å; N111-N115 PolarHBondContact O-N 3.35Å
116Q80.5Confident76.1Confident126 Ų126122.3 Ų122.359%0.58955%0.546SS*.EExtended strand (participates in β ladder)trans-134.3147.9-175.6-76.3177.7-12.600110.8N111 N114N111-Q116 PolarHBondContact N-O 3.31Å; N111-Q116 PolarHBondContact O-N 3.18Å; N114-Q116 WeakPolarHBondContact O-CG 3.43Å; N114-Q116 PolarHBondContact O-N 3.47Å
117Y79.2Confident77.7Confident124 Ų124128.4 Ų128.449%0.48656%0.558SS.*EExtended strand (participates in β ladder)trans-85.2115.8174.3-167.3-103.7000109.9G108 W110 N119G108-Y117 VanDerWaalsContact C-CZ 3.49Å; G108-Y117 WeakPolarHBondContact CA-OH 3.44Å; G108-Y117 PolarHBondContact O-OH 3.07Å; W110-Y117 HydrophobicContact CB-CD2 4.32Å; W110-Y117 AromaticContact CE3-CD2 4Å; W110-Y117 HydrophobicContact CE3-CD2 4Å; W110-Y117 HydrophobicContact CE3-CG 4.41Å; Y117-N119 VanDerWaalsContact CE1-OD1 3.27Å; Y117-N119 WeakPolarHBondContact CE1-OD1 3.08Å
118E76.4Confident78.8Confident63 Ų63121.4 Ų121.429%0.29454%0.537SS..EExtended strand (participates in β ladder)trans-96.5125.5178.6-68.7175.3177.900109.6G108 R109 N111G108-E118 CarbonylContact C-O 3.33Å; G108-E118 WeakPolarHBondContact CA-O 3.34Å; R109-E118 PolarHBondContact N-O 3.17Å; R109-E118 IonicContact NE-OE2 3.14Å; R109-E118 PolarHBondContact O-N 3.36Å; N111-E118 HydrophobicContact CB-CG 4.06Å; N111-E118 WeakPolarHBondContact CB-OE1 3.48Å; N111-E118 PolarHBondContact ND2-OE1 3.14Å
119N79.9Confident79.4Confident112 Ų112129.8 Ų129.860%0.59957%0.565SS**EExtended strand (participates in β ladder)trans-89.1138.1170-58.9-49.8000109.2Y117Y117-N119 VanDerWaalsContact CE1-OD1 3.27Å; Y117-N119 WeakPolarHBondContact CE1-OD1 3.08Å
120Y66.8Low80Confident191 Ų191129 Ų12975%0.74957%0.569SS**  trans-79.20171.4-59.9-58.2000112.4R107 R109R107-Y120 HydrophobicContact CB-CD2 3.95Å; R107-Y120 WeakPolarHBondContact O-CB 3.26Å; R107-Y120 WeakPolarHBondContact O-CD2 3.19Å; R107-Y120 PolarHBondContact O-N 3.29Å; R109-Y120 WeakPolarHBondContact CD-OH 3.47Å; R109-Y120 HydrophobicContact CG-CE1 4.35Å; R109-Y120 HydrophobicContact CG-CE2 4.48Å; R109-Y120 VanDerWaalsContact CG-OH 3.25Å; R109-Y120 WeakPolarHBondContact CG-OH 3.33Å; R109-Y120 PolarHBondContact NE-OH 2.9Å

Retrieved 120 of 120 residues in 43.4 ms (Link to these results)