A0A077Z4L5_TRITR Loading...

Vesicle transport protein

May be involved in fusion of retrograde transport vesicles derived from an endocytic compartment with the Golgi complex.

AlphaFold DB , UniProt , Accession A0A077Z4L5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 170 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
1M66.8Low84.3Confident226 Ų226118.2 Ų118.2100%1.11363%0.632SS**  0-3.70-108.1157.7149.900114.4
2S79.4Confident84.9Confident97 Ų97121.3 Ų121.368%0.67864%0.636SS**  trans-100.1-15.4-174.4-31.10000115.4S5S2-S5 PolarHBondContact O-OG 3.14Å
3T85.6Confident84.8Confident115 Ų115119.8 Ų119.871%0.70662%0.623SS**Hα-helixtrans-79.7-36.5-178.345.20000112.7L6 L7T3-L6 PolarHBondContact O-N 2.81Å; T3-L7 PolarHBondContact O-N 3.42Å; T3-L7 VanDerWaalsContact O-N 3.17Å
4E86.7Confident84.2Confident140 Ų140116.9 Ų116.965%0.65461%0.605SS**Hα-helixtrans-66-41.2-178.5-58.1-120.994.200111.2L6 L7 D8E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.27Å; E4-L7 PolarHBondContact O-N 3.42Å; E4-D8 PolarHBondContact O-N 3.39Å
5S84.9Confident83.9Confident62 Ų62119.8 Ų119.843%0.43461%0.611SS.*Hα-helixtrans-65.4-31.6176.961.40000112.9S2 N9S2-S5 PolarHBondContact O-OG 3.14Å; S5-N9 WeakPolarHBondContact O-CB 2.93Å; S5-N9 PolarHBondContact O-N 3.41Å; S5-N9 VanDerWaalsContact O-N 3.07Å; S5-N9 PolarHBondContact O-ND2 2.91Å
6L84.9Confident83.6Confident127 Ų127115.8 Ų115.867%0.66560%0.602SS**Hα-helixtrans-70.2-40.4175.1-115.1-172.6000111.6T3 E4 N9 Y10T3-L6 PolarHBondContact O-N 2.81Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.27Å; L6-N9 PolarHBondContact O-N 3.46Å; L6-Y10 WeakPolarHBondContact O-CB 3.21Å; L6-Y10 PolarHBondContact O-N 3.28Å
7L83.1Confident82.7Confident104 Ų104115.8 Ų115.855%0.54560%0.596SS.*Hα-helixtrans-63.6-44.7177.1-173.764.4000110.9T3 E4 N9 Y10 V11T3-L7 PolarHBondContact O-N 3.42Å; T3-L7 VanDerWaalsContact O-N 3.17Å; E4-L7 PolarHBondContact O-N 3.42Å; L7-N9 PolarHBondContact O-N 3.33Å; L7-Y10 PolarHBondContact O-N 2.74Å; L7-V11 WeakPolarHBondContact O-CB 3.48Å; L7-V11 VanDerWaalsContact O-CG2 3.25Å; L7-V11 WeakPolarHBondContact O-CG2 3.32Å; L7-V11 PolarHBondContact O-N 3.13Å
8D89.1Confident81.9Confident110 Ų110115.4 Ų115.459%0.58860%0.596SS**Hα-helixtrans-63.5-41.3176.7-78.5-41.3000112.6E4 V11 K12E4-D8 PolarHBondContact O-N 3.39Å; D8-V11 PolarHBondContact O-N 3.47Å; D8-K12 VanDerWaalsContact O-CB 3.26Å; D8-K12 WeakPolarHBondContact O-CB 3.31Å; D8-K12 PolarHBondContact O-N 3.47Å
9N91.3Very high81.5Confident100 Ų100112.1 Ų112.154%0.53559%0.587SS.*Hα-helixtrans-63.4-42.7174.8-81.9-61.9000111.7S5 L6 L7 K12 E13S5-N9 WeakPolarHBondContact O-CB 2.93Å; S5-N9 PolarHBondContact O-N 3.41Å; S5-N9 VanDerWaalsContact O-N 3.07Å; S5-N9 PolarHBondContact O-ND2 2.91Å; L6-N9 PolarHBondContact O-N 3.46Å; L7-N9 PolarHBondContact O-N 3.33Å; N9-K12 PolarHBondContact O-N 3.27Å; N9-E13 PolarHBondContact O-N 2.86Å
10Y87.3Confident80.8Confident138 Ų138110 Ų11054%0.54158%0.582SS.*Hα-helixtrans-65.6-43.9177.7-170.6-97.6000112L6 L7 K12 E13 Q14L6-Y10 WeakPolarHBondContact O-CB 3.21Å; L6-Y10 PolarHBondContact O-N 3.28Å; L7-Y10 PolarHBondContact O-N 2.74Å; Y10-K12 VanDerWaalsContact C-N 3.31Å; Y10-K12 PolarHBondContact O-N 2.61Å; Y10-E13 PolarHBondContact O-N 3.44Å; Y10-Q14 HydrophobicContact CD1-CG 4.03Å; Y10-Q14 HydrophobicContact CE1-CG 3.76Å; Y10-Q14 VanDerWaalsContact CZ-NE2 3.34Å; Y10-Q14 VanDerWaalsContact O-CG 3.31Å; Y10-Q14 WeakPolarHBondContact O-CG 2.94Å; Y10-Q14 PolarHBondContact O-N 3.48Å; Y10-Q14 PolarHBondContact OH-NE2 2.76Å; Y10-Q14 VanDerWaalsContact OH-NE2 3.1Å
11V88Confident80.1Confident81 Ų81106.7 Ų106.749%0.49158%0.575SS.*Hα-helixtrans-61.9-40.3175.6170.20000110.7L7 D8 Q14 K15L7-V11 WeakPolarHBondContact O-CB 3.48Å; L7-V11 VanDerWaalsContact O-CG2 3.25Å; L7-V11 WeakPolarHBondContact O-CG2 3.32Å; L7-V11 PolarHBondContact O-N 3.13Å; D8-V11 PolarHBondContact O-N 3.47Å; V11-Q14 PolarHBondContact O-N 3.29Å; V11-K15 WeakPolarHBondContact O-CB 3.24Å; V11-K15 PolarHBondContact O-N 3.48Å
12K91.2Very high80.2Confident156 Ų15699.7 Ų99.768%0.67854%0.544SS*.Hα-helixtrans-64.2-40.4175.6-168.3177.2-178.3-1780112D8 N9 Y10 K15 A16D8-K12 VanDerWaalsContact O-CB 3.26Å; D8-K12 WeakPolarHBondContact O-CB 3.31Å; D8-K12 PolarHBondContact O-N 3.47Å; N9-K12 PolarHBondContact O-N 3.27Å; Y10-K12 VanDerWaalsContact C-N 3.31Å; Y10-K12 PolarHBondContact O-N 2.61Å; K12-K15 PolarHBondContact O-N 3.24Å; K12-A16 PolarHBondContact O-N 3.38Å
13E84.3Confident79.5Confident101 Ų101104 Ų10447%0.47255%0.546SS..Hα-helixtrans-67.2-40.1176.2-159.3-173.7114.900112N9 Y10 K15 A16 K17N9-E13 PolarHBondContact O-N 2.86Å; Y10-E13 PolarHBondContact O-N 3.44Å; E13-K15 VanDerWaalsContact C-N 3.35Å; E13-A16 PolarHBondContact O-N 2.67Å; E13-K17 PolarHBondContact O-N 3.08Å; E13-K17 WeakPolarHBondContact OE1-CE 3.38Å; E13-K17 IonicContact OE1-NZ 2.8Å; E13-K17 PolarHBondContact OE1-NZ 3.17Å
14Q76.5Confident78.2Confident79 Ų79104.5 Ų104.537%0.36954%0.543SS..Hα-helixtrans-65.5-38.2174.4-69-66.1-14.100111.7Y10 V11 K17 N18Y10-Q14 HydrophobicContact CD1-CG 4.03Å; Y10-Q14 HydrophobicContact CE1-CG 3.76Å; Y10-Q14 VanDerWaalsContact CZ-NE2 3.34Å; Y10-Q14 VanDerWaalsContact O-CG 3.31Å; Y10-Q14 WeakPolarHBondContact O-CG 2.94Å; Y10-Q14 PolarHBondContact O-N 3.48Å; Y10-Q14 PolarHBondContact OH-NE2 2.76Å; Y10-Q14 VanDerWaalsContact OH-NE2 3.1Å; V11-Q14 PolarHBondContact O-N 3.29Å; Q14-K17 PolarHBondContact O-N 3.29Å; Q14-N18 VanDerWaalsContact O-CB 3.28Å; Q14-N18 WeakPolarHBondContact O-CB 2.8Å; Q14-N18 PolarHBondContact O-N 2.79Å
15K80.1Confident77.2Confident161 Ų16199.6 Ų99.670%0.753%0.53SS*.Hα-helixtrans-66.4-36.7175.7-163.1171.4-172.4173.70111.9V11 K12 E13 A19V11-K15 WeakPolarHBondContact O-CB 3.24Å; V11-K15 PolarHBondContact O-N 3.48Å; K12-K15 PolarHBondContact O-N 3.24Å; E13-K15 VanDerWaalsContact C-N 3.35Å; K15-A19 VanDerWaalsContact O-CB 3.31Å; K15-A19 WeakPolarHBondContact O-CB 3.47Å; K15-A19 PolarHBondContact O-N 2.84Å
16A78.6Confident76.6Confident56 Ų56100.9 Ų100.946%0.46354%0.535SS..Hα-helixtrans-69.4-40.2174.200000112.7K12 E13 S20K12-A16 PolarHBondContact O-N 3.38Å; E13-A16 PolarHBondContact O-N 2.67Å; A16-S20 WeakPolarHBondContact O-CB 3.14Å; A16-S20 PolarHBondContact O-N 3.32Å; A16-S20 PolarHBondContact O-OG 2.97Å
17K68.1Low75.9Confident115 Ų11599.7 Ų99.750%0.553%0.529SS..Hα-helixtrans-65.9-41.8173.4-75.4179.8-173.7163.30111.9E13 Q14 S20 G21E13-K17 PolarHBondContact O-N 3.08Å; E13-K17 WeakPolarHBondContact OE1-CE 3.38Å; E13-K17 IonicContact OE1-NZ 2.8Å; E13-K17 PolarHBondContact OE1-NZ 3.17Å; Q14-K17 PolarHBondContact O-N 3.29Å; K17-S20 PolarHBondContact O-N 2.77Å; K17-G21 PolarHBondContact O-N 3.23Å
18N67.7Low75.4Confident110 Ų110100.1 Ų100.159%0.58853%0.532SS*.Hα-helixtrans-63.9-47.6175.5-169.7-39.7000110.5Q14 S20 G21 V22Q14-N18 VanDerWaalsContact O-CB 3.28Å; Q14-N18 WeakPolarHBondContact O-CB 2.8Å; Q14-N18 PolarHBondContact O-N 2.79Å; N18-S20 VanDerWaalsContact C-N 3.3Å; N18-S20 PolarHBondContact O-N 2.93Å; N18-G21 PolarHBondContact O-N 3.12Å; N18-V22 WeakPolarHBondContact O-CB 3.44Å; N18-V22 WeakPolarHBondContact O-CG2 3.18Å; N18-V22 PolarHBondContact O-N 3.37Å; N18-V22 VanDerWaalsContact OD1-CG2 3.29Å; N18-V22 WeakPolarHBondContact OD1-CG2 3.43Å
19A75.5Confident74.5Confident52 Ų5297.7 Ų97.743%0.4353%0.527SS..Hα-helixtrans-58.5-40.7174.900000112.6K15 V22 R23K15-A19 VanDerWaalsContact O-CB 3.31Å; K15-A19 WeakPolarHBondContact O-CB 3.47Å; K15-A19 PolarHBondContact O-N 2.84Å; A19-V22 PolarHBondContact O-N 2.73Å; A19-R23 WeakPolarHBondContact O-CG 3.33Å; A19-R23 PolarHBondContact O-N 3.39Å
20S67Low73.6Confident69 Ų6997 Ų9748%0.48352%0.524SS..Hα-helixtrans-68.9-41.5177-58.30000112.3A16 K17 N18 R23 L24A16-S20 WeakPolarHBondContact O-CB 3.14Å; A16-S20 PolarHBondContact O-N 3.32Å; A16-S20 PolarHBondContact O-OG 2.97Å; K17-S20 PolarHBondContact O-N 2.77Å; N18-S20 VanDerWaalsContact C-N 3.3Å; N18-S20 PolarHBondContact O-N 2.93Å; S20-R23 PolarHBondContact O-N 3.31Å; S20-L24 WeakPolarHBondContact O-CB 3.48Å; S20-L24 PolarHBondContact O-N 3.41Å
21G65.3Low72.9Confident42 Ų4293 Ų9343%0.43352%0.519SS..Hα-helixtrans-65.1-3717400000112.6K17 N18 L24 G25K17-G21 PolarHBondContact O-N 3.23Å; N18-G21 PolarHBondContact O-N 3.12Å; G21-L24 PolarHBondContact O-N 3.38Å; G21-G25 PolarHBondContact O-N 2.83Å
22V69.7Low72.2Confident78 Ų7895 Ų9547%0.47352%0.521SS..Hα-helixtrans-64.9-43.9171.7170.50000110N18 A19 G25 V26N18-V22 WeakPolarHBondContact O-CB 3.44Å; N18-V22 WeakPolarHBondContact O-CG2 3.18Å; N18-V22 PolarHBondContact O-N 3.37Å; N18-V22 VanDerWaalsContact OD1-CG2 3.29Å; N18-V22 WeakPolarHBondContact OD1-CG2 3.43Å; A19-V22 PolarHBondContact O-N 2.73Å; V22-G25 PolarHBondContact O-N 2.98Å; V22-V26 HydrophobicContact CG1-CG2 4.31Å; V22-V26 WeakPolarHBondContact O-CB 3.47Å; V22-V26 WeakPolarHBondContact O-CG2 3.12Å; V22-V26 PolarHBondContact O-N 3.45Å
23R64.5Low71.3Confident189 Ų18988.9 Ų88.971%0.71350%0.502SS*.Hα-helixtrans-64.3-42.6175.1-70.9-176.178.9-163.24112.9A19 S20 G25 V26 L27A19-R23 WeakPolarHBondContact O-CG 3.33Å; A19-R23 PolarHBondContact O-N 3.39Å; S20-R23 PolarHBondContact O-N 3.31Å; R23-G25 VanDerWaalsContact C-N 3.35Å; R23-V26 PolarHBondContact O-N 3Å; R23-L27 WeakPolarHBondContact O-CB 3.27Å; R23-L27 PolarHBondContact O-N 3.45Å
24L58.8Low70.9Confident125 Ų12588.2 Ų88.265%0.65451%0.506SS*.Hα-helixtrans-62.9-40.4173.1-104.8144.3000111.6S20 G21 L27 N28S20-L24 WeakPolarHBondContact O-CB 3.48Å; S20-L24 PolarHBondContact O-N 3.41Å; G21-L24 PolarHBondContact O-N 3.38Å; L24-L27 PolarHBondContact O-N 3.49Å; L24-N28 VanDerWaalsContact O-CB 3.27Å; L24-N28 WeakPolarHBondContact O-CB 3.14Å; L24-N28 PolarHBondContact O-N 3.25Å
25G64.5Low70.7Confident37 Ų3791.2 Ų91.238%0.38151%0.514SS..Hα-helixtrans-65.9-40.3174.700000112.6G21 V22 R23 N28 A29G21-G25 PolarHBondContact O-N 2.83Å; V22-G25 PolarHBondContact O-N 2.98Å; R23-G25 VanDerWaalsContact C-N 3.35Å; G25-N28 PolarHBondContact O-N 2.82Å; G25-A29 VanDerWaalsContact O-CB 3.26Å; G25-A29 WeakPolarHBondContact O-CB 3.14Å; G25-A29 PolarHBondContact O-N 3.18Å
26V73.3Confident70.4Confident88 Ų8889.5 Ų89.553%0.53351%0.506SS..Hα-helixtrans-68.9-38.7175.5170.40000111.4V22 R23 A29 N30V22-V26 HydrophobicContact CG1-CG2 4.31Å; V22-V26 WeakPolarHBondContact O-CB 3.47Å; V22-V26 WeakPolarHBondContact O-CG2 3.12Å; V22-V26 PolarHBondContact O-N 3.45Å; R23-V26 PolarHBondContact O-N 3Å; V26-A29 PolarHBondContact O-N 2.88Å; V26-N30 WeakPolarHBondContact O-CB 3.08Å; V26-N30 VanDerWaalsContact O-CG 3.31Å; V26-N30 PolarHBondContact O-N 2.85Å; V26-N30 PolarHBondContact O-ND2 3.41Å
27L70.9Confident69.9Low102 Ų10293 Ų9353%0.53451%0.513SS..Hα-helixtrans-65.7-39.4170.5-83.8160.8000112.1R23 L24 A29 N30 A31R23-L27 WeakPolarHBondContact O-CB 3.27Å; R23-L27 PolarHBondContact O-N 3.45Å; L24-L27 PolarHBondContact O-N 3.49Å; L27-A29 VanDerWaalsContact C-N 3.33Å; L27-N30 WeakPolarHBondContact CA-OD1 3.03Å; L27-N30 PolarHBondContact O-OD1 3.47Å; L27-A31 WeakPolarHBondContact O-CB 3.37Å; L27-A31 PolarHBondContact O-N 2.71Å
28N71.9Confident69.8Low113 Ų11395.9 Ų95.960%0.60453%0.525SS*.Hα-helixtrans-68-37.2174.4-174.864.2000111L24 G25 F32L24-N28 VanDerWaalsContact O-CB 3.27Å; L24-N28 WeakPolarHBondContact O-CB 3.14Å; L24-N28 PolarHBondContact O-N 3.25Å; G25-N28 PolarHBondContact O-N 2.82Å; N28-F32 WeakPolarHBondContact O-CB 3.46Å; N28-F32 PolarHBondContact O-N 3.48Å
29A69Low69.5Low60 Ų6094.7 Ų94.750%0.49652%0.518SS..Hα-helixtrans-68-41.3176.800000112.4G25 V26 L27 F32 G33G25-A29 VanDerWaalsContact O-CB 3.26Å; G25-A29 WeakPolarHBondContact O-CB 3.14Å; G25-A29 PolarHBondContact O-N 3.18Å; V26-A29 PolarHBondContact O-N 2.88Å; L27-A29 VanDerWaalsContact C-N 3.33Å; A29-F32 PolarHBondContact O-N 3.01Å; A29-G33 PolarHBondContact O-N 3.39Å
30N74.2Confident68.9Low86 Ų8695.9 Ų95.946%0.4652%0.524SS..Hα-helixtrans-71.9-3517770.824.8000112.3V26 L27 G33 T34V26-N30 WeakPolarHBondContact O-CB 3.08Å; V26-N30 VanDerWaalsContact O-CG 3.31Å; V26-N30 PolarHBondContact O-N 2.85Å; V26-N30 PolarHBondContact O-ND2 3.41Å; L27-N30 WeakPolarHBondContact CA-OD1 3.03Å; L27-N30 PolarHBondContact O-OD1 3.47Å; N30-G33 PolarHBondContact O-N 3.2Å; N30-T34 PolarHBondContact O-N 3.32Å; N30-T34 VanDerWaalsContact O-N 3.08Å; N30-T34 PolarHBondContact O-OG1 2.85Å
31A71.6Confident68.3Low53 Ų5394.1 Ų94.144%0.43852%0.517SS..Hα-helixtrans-66.6-43.2171.900000111.7L27 T34 W35L27-A31 WeakPolarHBondContact O-CB 3.37Å; L27-A31 PolarHBondContact O-N 2.71Å; A31-T34 PolarHBondContact O-N 2.76Å; A31-W35 PolarHBondContact O-N 3.24Å
32F73.9Confident67.9Low122 Ų12298.4 Ų98.454%0.53554%0.537SS..Hα-helixtrans-64.5-40176.5-170.8-97.1000111.9N28 A29 W35 K36N28-F32 WeakPolarHBondContact O-CB 3.46Å; N28-F32 PolarHBondContact O-N 3.48Å; A29-F32 PolarHBondContact O-N 3.01Å; F32-W35 AromaticContact CD2-CE3 3.81Å; F32-W35 HydrophobicContact CD2-CE3 3.81Å; F32-W35 HydrophobicContact CD2-CZ3 4Å; F32-W35 AromaticContact CE2-CE3 3.66Å; F32-W35 HydrophobicContact CE2-CE3 3.66Å; F32-W35 AromaticContact CE2-CZ3 3.37Å; F32-W35 HydrophobicContact CE2-CZ3 3.37Å; F32-W35 HydrophobicContact CZ-CE3 4.26Å; F32-W35 AromaticContact CZ-CZ3 3.89Å; F32-W35 HydrophobicContact CZ-CZ3 3.89Å; F32-W35 PolarHBondContact O-N 3.32Å; F32-K36 WeakPolarHBondContact O-CB 2.95Å; F32-K36 PolarHBondContact O-N 3.41Å
33G71.1Confident66.9Low28 Ų28101 Ų10129%0.28955%0.547SS..Hα-helixtrans-61-43.7173.800000112.8A29 N30 W35 K36 E37A29-G33 PolarHBondContact O-N 3.39Å; N30-G33 PolarHBondContact O-N 3.2Å; G33-W35 PolarHBondContact O-N 3.5Å; G33-K36 WeakPolarHBondContact O-CB 3.46Å; G33-K36 PolarHBondContact O-N 3.17Å; G33-E37 WeakPolarHBondContact O-CG 3.08Å; G33-E37 PolarHBondContact O-N 3.39Å
34T76.6Confident66.1Low88 Ų8897.1 Ų97.154%0.5455%0.547SS..Hα-helixtrans-65.3-39.1177-54.40000111.8N30 A31 E37 K38N30-T34 PolarHBondContact O-N 3.32Å; N30-T34 VanDerWaalsContact O-N 3.08Å; N30-T34 PolarHBondContact O-OG1 2.85Å; A31-T34 PolarHBondContact O-N 2.76Å; T34-E37 PolarHBondContact O-N 3.49Å; T34-K38 PolarHBondContact O-N 3.27Å
35W72.2Confident65.3Low142 Ų142100.8 Ų100.854%0.53856%0.557SS.*Hα-helixtrans-67.7-42.7175.1174.266.3000112.4A31 F32 G33 E37 K38 L39A31-W35 PolarHBondContact O-N 3.24Å; F32-W35 AromaticContact CD2-CE3 3.81Å; F32-W35 HydrophobicContact CD2-CE3 3.81Å; F32-W35 HydrophobicContact CD2-CZ3 4Å; F32-W35 AromaticContact CE2-CE3 3.66Å; F32-W35 HydrophobicContact CE2-CE3 3.66Å; F32-W35 AromaticContact CE2-CZ3 3.37Å; F32-W35 HydrophobicContact CE2-CZ3 3.37Å; F32-W35 HydrophobicContact CZ-CE3 4.26Å; F32-W35 AromaticContact CZ-CZ3 3.89Å; F32-W35 HydrophobicContact CZ-CZ3 3.89Å; F32-W35 PolarHBondContact O-N 3.32Å; G33-W35 PolarHBondContact O-N 3.5Å; W35-E37 VanDerWaalsContact C-N 3.3Å; W35-E37 PolarHBondContact O-N 3.32Å; W35-K38 CarbonylContact O-C 3.57Å; W35-K38 WeakPolarHBondContact O-CA 3.47Å; W35-K38 WeakPolarHBondContact O-CB 3.4Å; W35-K38 PolarHBondContact O-N 3.25Å; W35-K38 VanDerWaalsContact O-N 3.11Å; W35-L39 HydrophobicContact CD2-CD1 3.66Å; W35-L39 HydrophobicContact CD2-CG 4.28Å; W35-L39 HydrophobicContact CE3-CD1 3.79Å; W35-L39 HydrophobicContact CG-CD1 4.47Å; W35-L39 HydrophobicContact CH2-CD1 3.52Å; W35-L39 HydrophobicContact CZ2-CD1 3.38Å; W35-L39 HydrophobicContact CZ2-CD2 4.44Å; W35-L39 HydrophobicContact CZ2-CG 4.25Å; W35-L39 HydrophobicContact CZ3-CD1 3.69Å; W35-L39 WeakPolarHBondContact O-CG 3.49Å; W35-L39 PolarHBondContact O-N 3.35Å
36K74.1Confident64.4Low124 Ų124105.4 Ų105.454%0.53957%0.572SS.*Hα-helixtrans-53.9-46.6171.9162.8-158.9171.1-163.40111.1F32 G33 K38 L39 S40F32-K36 WeakPolarHBondContact O-CB 2.95Å; F32-K36 PolarHBondContact O-N 3.41Å; G33-K36 WeakPolarHBondContact O-CB 3.46Å; G33-K36 PolarHBondContact O-N 3.17Å; K36-K38 VanDerWaalsContact C-N 3.28Å; K36-K38 PolarHBondContact O-N 3.34Å; K36-L39 CarbonylContact O-C 3.47Å; K36-L39 WeakPolarHBondContact O-CA 3.32Å; K36-L39 WeakPolarHBondContact O-CB 3.33Å; K36-L39 PolarHBondContact O-N 2.94Å; K36-S40 PolarHBondContact O-N 2.87Å; K36-S40 PolarHBondContact O-OG 3.24Å; K36-S40 VanDerWaalsContact O-OG 3.09Å
37E67.1Low62.7Low131 Ų131106.1 Ų106.161%0.61258%0.581SS**Hα-helixtrans-59.3-41178.1-75.9-86.8123.100111.4G33 T34 W35 L39 S40 G41G33-E37 WeakPolarHBondContact O-CG 3.08Å; G33-E37 PolarHBondContact O-N 3.39Å; T34-E37 PolarHBondContact O-N 3.49Å; W35-E37 VanDerWaalsContact C-N 3.3Å; W35-E37 PolarHBondContact O-N 3.32Å; E37-L39 VanDerWaalsContact C-N 3.29Å; E37-L39 PolarHBondContact O-N 2.95Å; E37-S40 WeakPolarHBondContact CA-OG 3.34Å; E37-S40 PolarHBondContact O-N 3.4Å; E37-S40 PolarHBondContact O-OG 2.9Å; E37-G41 PolarHBondContact O-N 2.88Å
38K66Low61.5Low174 Ų174107.2 Ų107.276%0.75759%0.586SS**Hα-helixtrans-66.8-28.7173.4-68.5-160.3177.4-149.20113.4T34 W35 K36T34-K38 PolarHBondContact O-N 3.27Å; W35-K38 CarbonylContact O-C 3.57Å; W35-K38 WeakPolarHBondContact O-CA 3.47Å; W35-K38 WeakPolarHBondContact O-CB 3.4Å; W35-K38 PolarHBondContact O-N 3.25Å; W35-K38 VanDerWaalsContact O-N 3.11Å; K36-K38 VanDerWaalsContact C-N 3.28Å; K36-K38 PolarHBondContact O-N 3.34Å
39L61.9Low59.9Low85 Ų85107 Ų10745%0.44559%0.594SS.*Hα-helixtrans-80.7-27.4173.7-71.3175.1000113.5W35 K36 E37 G41W35-L39 HydrophobicContact CD2-CD1 3.66Å; W35-L39 HydrophobicContact CD2-CG 4.28Å; W35-L39 HydrophobicContact CE3-CD1 3.79Å; W35-L39 HydrophobicContact CG-CD1 4.47Å; W35-L39 HydrophobicContact CH2-CD1 3.52Å; W35-L39 HydrophobicContact CZ2-CD1 3.38Å; W35-L39 HydrophobicContact CZ2-CD2 4.44Å; W35-L39 HydrophobicContact CZ2-CG 4.25Å; W35-L39 HydrophobicContact CZ3-CD1 3.69Å; W35-L39 WeakPolarHBondContact O-CG 3.49Å; W35-L39 PolarHBondContact O-N 3.35Å; K36-L39 CarbonylContact O-C 3.47Å; K36-L39 WeakPolarHBondContact O-CA 3.32Å; K36-L39 WeakPolarHBondContact O-CB 3.33Å; K36-L39 PolarHBondContact O-N 2.94Å; E37-L39 VanDerWaalsContact C-N 3.29Å; E37-L39 PolarHBondContact O-N 2.95Å; L39-G41 VanDerWaalsContact C-N 3.28Å
40S63Low58.4Low77 Ų77111.4 Ų111.454%0.53861%0.608SS.*Hα-helixtrans-80.5-8.317647.60000113.5K36 E37K36-S40 PolarHBondContact O-N 2.87Å; K36-S40 PolarHBondContact O-OG 3.24Å; K36-S40 VanDerWaalsContact O-OG 3.09Å; E37-S40 WeakPolarHBondContact CA-OG 3.34Å; E37-S40 PolarHBondContact O-N 3.4Å; E37-S40 PolarHBondContact O-OG 2.9Å
41G54.7Low57.1Low33 Ų33112.1 Ų112.134%0.3462%0.617SS.*SBendtrans-49.6139.816000000109.3E37 L39 L43E37-G41 PolarHBondContact O-N 2.88Å; L39-G41 VanDerWaalsContact C-N 3.28Å; G41-L43 PolarHBondContact O-N 3.35Å
42P56.8Low55.7Low132 Ų132115.6 Ų115.686%0.85764%0.635SS**  trans-49.5108.4-170.817.6-30.5000109.5
43L48Very low53.8Low131 Ų131118.4 Ų118.469%0.68666%0.655SS**  trans-47.8128.8178.6-66.2170.9000106.6G41 K45G41-L43 PolarHBondContact O-N 3.35Å; L43-K45 PolarHBondContact O-N 3.22Å
44P49.5Very low52Low108 Ų108119.4 Ų119.470%0.70167%0.665SS**  trans-50.3116.8173.721.5-31.2000105.5I46P44-I46 PolarHBondContact O-N 3.17Å
45K41Very low49.7Very low202 Ų202124.2 Ų124.288%0.87868%0.679SS**  trans-60.591.8179.8-75.6171.5-179.4165.70105.3L43 S47L43-K45 PolarHBondContact O-N 3.22Å; K45-S47 PolarHBondContact O-N 2.94Å
46I44.8Very low48.2Very low134 Ų134123.3 Ų123.369%0.68769%0.691SS**  trans-64.993.2165.8-62172.6000102.3P44 I48P44-I46 PolarHBondContact O-N 3.17Å; I46-I48 HydrophobicContact CG2-CD1 3.54Å; I46-I48 HydrophobicContact CG2-CG1 3.73Å; I46-I48 PolarHBondContact O-N 3.32Å
47S39.2Very low46.2Very low104 Ų104122.9 Ų122.973%0.72770%0.704SS**  trans-69.667.1172.354.40000107.6K45 S49K45-S47 PolarHBondContact O-N 2.94Å; S47-S49 PolarHBondContact O-N 2.71Å; S47-S49 VanDerWaalsContact O-N 3.09Å
48I44.2Very low44.8Very low124 Ų124125.5 Ų125.564%0.63672%0.716SS**  trans-67.8100.2152-74.1152.2000102.8I46 L50I46-I48 HydrophobicContact CG2-CD1 3.54Å; I46-I48 HydrophobicContact CG2-CG1 3.73Å; I46-I48 PolarHBondContact O-N 3.32Å; I48-L50 PolarHBondContact O-N 2.77Å
49S39.5Very low43.4Very low110 Ų110122.8 Ų122.877%0.76972%0.716SS**  trans-49.498.4166-67.50000107S47 P51S47-S49 PolarHBondContact O-N 2.71Å; S47-S49 VanDerWaalsContact O-N 3.09Å; S49-P51 WeakPolarHBondContact O-CD 3.46Å; S49-P51 VanDerWaalsContact O-N 3.16Å
50L37Very low42.3Very low151 Ų151127.6 Ų127.679%0.79174%0.741SS**  trans-68.3108-178.7-158.373.5000106I48I48-L50 PolarHBondContact O-N 2.77Å
51P47Very low41.1Very low101 Ų101128 Ų12866%0.65675%0.75SS**  trans-65.3151.8175.2-11.528.8000108.5S49 L53S49-P51 WeakPolarHBondContact O-CD 3.46Å; S49-P51 VanDerWaalsContact O-N 3.16Å; P51-L53 PolarHBondContact O-N 3.35Å
52P42.2Very low40.5Very low126 Ų126130.7 Ų130.782%0.81875%0.752SS**  trans-52.5127.3-168.9-24.132.2000112.6G54P52-G54 VanDerWaalsContact C-N 3.31Å; P52-G54 PolarHBondContact O-N 3.28Å
53L34.1Very low39.7Very low181 Ų181130.8 Ų130.895%0.94875%0.75SS**SBendtrans-52.787.6170.9-172.872.1000109.9P51P51-L53 PolarHBondContact O-N 3.35Å
54G32.5Very low39.7Very low49 Ų49130 Ų13051%0.50575%0.75SS.*  trans-166.543.8-164.800000115.6P52P52-G54 VanDerWaalsContact C-N 3.31Å; P52-G54 PolarHBondContact O-N 3.28Å
55K29.7Very low39.4Very low190 Ų190128.7 Ų128.783%0.82674%0.742SS**SBendtrans172.6131.8136.1-89.2164.1-153.284.40109
56P40.1Very low39.1Very low122 Ų122128.9 Ų128.979%0.79274%0.743SS**SBendtrans-83.4143.5-165.822.4-11.2000111.6
57S32.4Very low38.6Very low115 Ų115132.1 Ų132.180%0.80475%0.752SS**  trans93.250.5173.673.30000118.8P59S57-P59 WeakPolarHBondContact O-CD 3.32Å
58E36.8Very low38.1Very low187 Ų187136.4 Ų136.487%0.87476%0.758SS**  trans-109.9102.7165.7-64-160.5136.200111.4
59P36.5Very low37.8Very low117 Ų117140 Ų14076%0.7677%0.772SS**  trans-66.8135.4179.126-30.7000110.9S57 A61S57-P59 WeakPolarHBondContact O-CD 3.32Å; P59-A61 PolarHBondContact O-N 3.39Å
60L39.3Very low37.4Very low185 Ų185139.5 Ų139.597%0.96977%0.768SS**  trans-27.592.3166.5-62.5167.8000113.6
61A38.3Very low37.4Very low87 Ų87137.3 Ų137.372%0.71977%0.766SS**  trans-151.890.2169.600000111.2P59P59-A61 PolarHBondContact O-N 3.39Å
62F42.5Very low36.8Very low88 Ų88137.5 Ų137.539%0.38677%0.768SS.*  trans40.595.5132.1-172.4-118.2000116.7V64 L127 L135F62-V64 PolarHBondContact O-N 2.79Å; F62-L127 HydrophobicContact CD1-CD2 4.21Å; F62-L135 HydrophobicContact CD2-CD1 4.16Å; F62-L135 HydrophobicContact CD2-CD2 3.5Å; F62-L135 HydrophobicContact CD2-CG 4.45Å; F62-L135 HydrophobicContact CE1-CD2 4.24Å; F62-L135 HydrophobicContact CE2-CD1 3.26Å; F62-L135 HydrophobicContact CE2-CD2 3.2Å; F62-L135 HydrophobicContact CE2-CG 3.79Å; F62-L135 HydrophobicContact CG-CD2 4.2Å; F62-L135 HydrophobicContact CZ-CB 4.49Å; F62-L135 HydrophobicContact CZ-CD1 3.83Å; F62-L135 HydrophobicContact CZ-CD2 3.58Å; F62-L135 HydrophobicContact CZ-CG 4.16Å
63T39.8Very low36.4Very low135 Ų135139.8 Ų139.883%0.82877%0.765SS**  trans-54.8107.3173.7-540000111.3
64V47.3Very low37.1Very low113 Ų113135.4 Ų135.469%0.68575%0.748SS**  trans-50.5125.2175.41750000110.4F62 K66F62-V64 PolarHBondContact O-N 2.79Å; V64-K66 PolarHBondContact O-N 3.04Å; V64-K66 VanDerWaalsContact O-N 3.13Å
65P44.5Very low38Very low82 Ų82137.8 Ų137.853%0.53275%0.754SS.*  trans-62119.816924.9-31000108.5K67P65-K67 VanDerWaalsContact C-N 3.29Å; P65-K67 PolarHBondContact O-N 3.41Å
66K33.4Very low38.9Very low205 Ų205134.6 Ų134.689%0.89175%0.746SS**  trans-56.786.9173.5-81.2-115.5-174.3169.40110.2V64V64-K66 PolarHBondContact O-N 3.04Å; V64-K66 VanDerWaalsContact O-N 3.13Å
67K34.2Very low39.8Very low202 Ų202134.1 Ų134.188%0.87874%0.741SS**  trans-80.5123164.7-153.6-176.1-175.1-165.20107P65 E69P65-K67 VanDerWaalsContact C-N 3.29Å; P65-K67 PolarHBondContact O-N 3.41Å; K67-E69 PolarHBondContact O-N 2.92Å
68K29.3Very low40.9Very low194 Ų194138.6 Ų138.684%0.84374%0.74SS**  trans-40123.9-176.7-68.6176.6179.6-179.50111.5S70K68-S70 PolarHBondContact O-N 3.4Å
69E36.7Very low41.7Very low200 Ų200138.9 Ų138.994%0.93573%0.733SS**  trans-50.896.4166.9-163.7158.5131.400109.5K67K67-E69 PolarHBondContact O-N 2.92Å
70S32.9Very low42.6Very low99 Ų99139.7 Ų139.769%0.69272%0.724SS**  trans-130.599.7159.363.10000106.8K68K68-S70 PolarHBondContact O-N 3.4Å
71S36.7Very low43.7Very low105 Ų105134.6 Ų134.673%0.73470%0.704SS**  trans55.692.8146.5-50.70000115.1
72C34.2Very low45.1Very low105 Ų105133.1 Ų133.171%0.70969%0.687SS**  32.6110.4117.4-145.60000114.7
73F32.6Very low46.3Very low174 Ų174134.5 Ų134.576%0.76369%0.694SS**  trans78.9113.2174.7-51.6-80.3000115.3
74P49.3Very low47.7Very low89 Ų89131.8 Ų131.858%0.57868%0.681SS**  cis-137.3128.84729.6-8.4000114.7L76P74-L76 HydrophobicContact CB-CG 4.47Å; P74-L76 PolarHBondContact O-N 3.34Å
75P50.9Low48.9Very low99 Ų99128.9 Ų128.964%0.64366%0.659SS**THydrogen-bonded Turntrans-66.56.1172.2-16.129.8000115.1V77P75-V77 VanDerWaalsContact C-N 3.31Å; P75-V77 PolarHBondContact O-N 3Å
76L48.3Very low50.1Low123 Ų123128.7 Ų128.764%0.64466%0.659SS**THydrogen-bonded Turntrans-78.2-10.2-170.4-59.7-178.5000114.3P74 R78 K80P74-L76 HydrophobicContact CB-CG 4.47Å; P74-L76 PolarHBondContact O-N 3.34Å; L76-R78 VanDerWaalsContact C-N 3.33Å; L76-R78 PolarHBondContact O-N 3.39Å; L76-K80 WeakPolarHBondContact O-CG 3.43Å
77V59.6Low51.8Low113 Ų113121.7 Ų121.769%0.68564%0.639SS**Hα-helixtrans-79.2-13.1178.5-63.40000113.9P75P75-V77 VanDerWaalsContact C-N 3.31Å; P75-V77 PolarHBondContact O-N 3Å
78R55.6Low53.5Low209 Ų209117.6 Ų117.679%0.78962%0.623SS**Hα-helixtrans-74.9-30.2-179.2-128.9175.1-166.3138.21.6113.2L76L76-R78 VanDerWaalsContact C-N 3.33Å; L76-R78 PolarHBondContact O-N 3.39Å
79W54.3Low55.6Low192 Ų192109.2 Ų109.273%0.72759%0.589SS**Hα-helixtrans-102.5-29.7-174.4-65.389.6000113.4S81 V82 E83W79-S81 VanDerWaalsContact C-N 3.29Å; W79-S81 PolarHBondContact O-N 3.41Å; W79-V82 PolarHBondContact O-N 3.3Å; W79-V82 VanDerWaalsContact O-N 3.12Å; W79-E83 PolarHBondContact O-N 3.18Å
80K55.7Low57.2Low134 Ų134106.9 Ų106.958%0.58358%0.576SS**Hα-helixtrans-65.6-28.3-179.1-71.3-76.115180.70114L76 E83 S84L76-K80 WeakPolarHBondContact O-CG 3.43Å; K80-E83 WeakPolarHBondContact CD-OE2 3.28Å; K80-E83 VanDerWaalsContact CE-OE2 3.3Å; K80-E83 WeakPolarHBondContact CE-OE2 3.17Å; K80-S84 PolarHBondContact O-N 3.3Å
81S62.6Low59.1Low78 Ų78109.6 Ų109.655%0.54558%0.575SS.*Hα-helixtrans-78-32.7174.2-56.70000112.4W79 E83 S84 F85W79-S81 VanDerWaalsContact C-N 3.29Å; W79-S81 PolarHBondContact O-N 3.41Å; S81-E83 VanDerWaalsContact C-N 3.34Å; S81-S84 PolarHBondContact O-N 3.42Å; S81-F85 WeakPolarHBondContact O-CB 3.18Å; S81-F85 PolarHBondContact O-N 3.48Å
82V66.3Low61Low57 Ų57108.3 Ų108.335%0.34556%0.556SS.*Hα-helixtrans-67.6-38.6176.2178.60000110.1W79 F85 C86 I125W79-V82 PolarHBondContact O-N 3.3Å; W79-V82 VanDerWaalsContact O-N 3.12Å; V82-F85 PolarHBondContact O-N 3.25Å; V82-C86 WeakPolarHBondContact O-CB 3.17Å; V82-C86 PolarHBondContact O-N 3.09Å; V82-I125 HydrophobicContact CG2-CG2 4.2Å
83E67.3Low62.7Low117 Ų117109.2 Ų109.255%0.54755%0.545SS..Hα-helixtrans-60.9-45.6172.6-73.6176.8164.500111.9W79 K80 S81 F85 C86 A87W79-E83 PolarHBondContact O-N 3.18Å; K80-E83 WeakPolarHBondContact CD-OE2 3.28Å; K80-E83 VanDerWaalsContact CE-OE2 3.3Å; K80-E83 WeakPolarHBondContact CE-OE2 3.17Å; S81-E83 VanDerWaalsContact C-N 3.34Å; E83-F85 VanDerWaalsContact C-N 3.34Å; E83-F85 PolarHBondContact O-N 3Å; E83-C86 PolarHBondContact O-N 2.91Å; E83-A87 WeakPolarHBondContact O-CB 3.25Å; E83-A87 PolarHBondContact O-N 3.46Å
84S69.9Low64.7Low78 Ų78103.9 Ų103.955%0.54553%0.533SS..Hα-helixtrans-62.4-41.1175.1178.10000111.9K80 S81 Q88K80-S84 PolarHBondContact O-N 3.3Å; S81-S84 PolarHBondContact O-N 3.42Å; S84-Q88 WeakPolarHBondContact O-CB 3.36Å; S84-Q88 PolarHBondContact O-N 3.29Å
85F71.8Confident65.8Low52 Ų52104.5 Ų104.523%0.22854%0.535CS..Hα-helixtrans-68.7-37.2-179.9-173.3-121.5000112S81 V82 E83 S89 F118 L121 I125S81-F85 WeakPolarHBondContact O-CB 3.18Å; S81-F85 PolarHBondContact O-N 3.48Å; V82-F85 PolarHBondContact O-N 3.25Å; E83-F85 VanDerWaalsContact C-N 3.34Å; E83-F85 PolarHBondContact O-N 3Å; F85-S89 WeakPolarHBondContact O-CB 3.45Å; F85-S89 PolarHBondContact O-N 3.35Å; F85-S89 PolarHBondContact O-OG 3.37Å; F85-F118 HydrophobicContact CE1-CD2 4.37Å; F85-F118 AromaticContact CE1-CE2 3.93Å; F85-F118 HydrophobicContact CE1-CE2 3.93Å; F85-F118 HydrophobicContact CZ-CD2 4.01Å; F85-F118 AromaticContact CZ-CE2 3.99Å; F85-F118 HydrophobicContact CZ-CE2 3.99Å; F85-L121 HydrophobicContact CD2-CD2 3.58Å; F85-L121 HydrophobicContact CE1-CB 4.41Å; F85-L121 HydrophobicContact CE2-CB 4.1Å; F85-L121 HydrophobicContact CE2-CD2 3.01Å; F85-L121 HydrophobicContact CE2-CG 4.14Å; F85-L121 HydrophobicContact CZ-CB 3.83Å; F85-L121 HydrophobicContact CZ-CD2 3.63Å; F85-L121 HydrophobicContact CZ-CG 4.37Å; F85-I125 HydrophobicContact CD1-CD1 4.06Å; F85-I125 HydrophobicContact CG-CD1 4.48Å
86C69.3Low66.6Low78 Ų78101.8 Ų101.853%0.52752%0.515SS..Hα-helixtrans-68.3-45.8176.9-160.70000111.5V82 E83 S89 F90V82-C86 WeakPolarHBondContact O-CB 3.17Å; V82-C86 PolarHBondContact O-N 3.09Å; E83-C86 PolarHBondContact O-N 2.91Å; C86-S89 PolarHBondContact O-N 2.73Å; C86-F90 WeakPolarHBondContact O-CB 3.26Å; C86-F90 PolarHBondContact O-N 2.88Å
87A70.3Confident67.8Low58 Ų58103.7 Ų103.748%0.47952%0.515SS..Hα-helixtrans-65.5-44.2177.800000111.9E83 S89 F90 K91E83-A87 WeakPolarHBondContact O-CB 3.25Å; E83-A87 PolarHBondContact O-N 3.46Å; A87-S89 VanDerWaalsContact C-N 3.35Å; A87-F90 PolarHBondContact O-N 3.32Å; A87-K91 WeakPolarHBondContact O-CG 3.24Å; A87-K91 PolarHBondContact O-N 2.75Å
88Q70.8Confident68.4Low116 Ų116104.5 Ų104.554%0.54252%0.515SS..Hα-helixtrans-63.3-43.2175.8-171.660.430.500110.5S84 F90 F92S84-Q88 WeakPolarHBondContact O-CB 3.36Å; S84-Q88 PolarHBondContact O-N 3.29Å; Q88-F90 VanDerWaalsContact C-N 3.31Å; Q88-F90 PolarHBondContact O-N 3.04Å; Q88-F92 WeakPolarHBondContact O-CA 3.22Å; Q88-F92 WeakPolarHBondContact O-CB 3.37Å; Q88-F92 PolarHBondContact O-N 2.91Å
89S71.8Confident68.8Low18 Ų1896.6 Ų96.613%0.12649%0.49CS..Hα-helixtrans-62.4-36.8175.6-64.30000112.4F85 C86 A87 R93F85-S89 WeakPolarHBondContact O-CB 3.45Å; F85-S89 PolarHBondContact O-N 3.35Å; F85-S89 PolarHBondContact O-OG 3.37Å; C86-S89 PolarHBondContact O-N 2.73Å; A87-S89 VanDerWaalsContact C-N 3.35Å; S89-R93 VanDerWaalsContact O-CB 3.25Å; S89-R93 WeakPolarHBondContact O-CB 3.08Å; S89-R93 WeakPolarHBondContact O-CG 3.42Å; S89-R93 PolarHBondContact O-N 3.43Å; S89-R93 PolarHBondContact O-NE 2.93Å
90F71.3Confident69.6Low150 Ų15090.3 Ų90.366%0.65847%0.473SS*.Hα-helixtrans-69.9-47.2179.2-168.7-97.2000112.4C86 A87 Q88 R93 A94C86-F90 WeakPolarHBondContact O-CB 3.26Å; C86-F90 PolarHBondContact O-N 2.88Å; A87-F90 PolarHBondContact O-N 3.32Å; Q88-F90 VanDerWaalsContact C-N 3.31Å; Q88-F90 PolarHBondContact O-N 3.04Å; F90-R93 PolarHBondContact O-N 3.34Å; F90-A94 PolarHBondContact O-N 3.49Å
91K72.5Confident70.2Confident156 Ų15689.2 Ų89.268%0.67847%0.473SS*.Hα-helixtrans-63.4-45.2174.3-65.2-115.7-168.7176.50111.3A87 R93 A94 T95A87-K91 WeakPolarHBondContact O-CG 3.24Å; A87-K91 PolarHBondContact O-N 2.75Å; K91-R93 PolarHBondContact O-N 2.8Å; K91-A94 PolarHBondContact O-N 3.23Å; K91-T95 PolarHBondContact O-N 2.94Å; K91-T95 PolarHBondContact O-OG1 2.86Å
92F76.7Confident70.2Confident78 Ų7891.7 Ų91.734%0.34248%0.48SS..Hα-helixtrans-65.4-37.2-178.7-171.8-95.3000111.9Q88 A94 T95 L96 F114Q88-F92 WeakPolarHBondContact O-CA 3.22Å; Q88-F92 WeakPolarHBondContact O-CB 3.37Å; Q88-F92 PolarHBondContact O-N 2.91Å; F92-A94 PolarHBondContact O-N 3.42Å; F92-T95 PolarHBondContact O-N 2.98Å; F92-L96 HydrophobicContact CD1-CD1 3.96Å; F92-L96 HydrophobicContact CD1-CD2 4.45Å; F92-L96 HydrophobicContact CD1-CG 3.66Å; F92-L96 HydrophobicContact CE1-CD1 3.16Å; F92-L96 HydrophobicContact CE1-CD2 3.84Å; F92-L96 HydrophobicContact CE1-CG 3.24Å; F92-L96 HydrophobicContact CE2-CD2 4.04Å; F92-L96 HydrophobicContact CE2-CG 4.28Å; F92-L96 HydrophobicContact CG-CG 4.31Å; F92-L96 HydrophobicContact CZ-CD1 3.66Å; F92-L96 HydrophobicContact CZ-CD2 3.63Å; F92-L96 HydrophobicContact CZ-CG 3.62Å; F92-L96 WeakPolarHBondContact O-CA 3.08Å; F92-L96 WeakPolarHBondContact O-CB 3.2Å; F92-L96 VanDerWaalsContact O-CG 3.27Å; F92-L96 WeakPolarHBondContact O-CG 2.94Å; F92-L96 PolarHBondContact O-N 3.34Å; F92-F114 AromaticContact CD1-CE2 3.92Å; F92-F114 HydrophobicContact CD1-CE2 3.92Å; F92-F114 AromaticContact CD1-CZ 3.78Å; F92-F114 HydrophobicContact CD1-CZ 3.78Å; F92-F114 HydrophobicContact CE1-CD2 4.17Å; F92-F114 AromaticContact CE1-CE2 3.16Å; F92-F114 HydrophobicContact CE1-CE2 3.16Å; F92-F114 AromaticContact CE1-CZ 3.5Å; F92-F114 HydrophobicContact CE1-CZ 3.5Å; F92-F114 VanDerWaalsContact CE1-CZ 3.5Å; F92-F114 HydrophobicContact CZ-CE2 4Å
93R69.5Low70.1Confident124 Ų12492 Ų9247%0.46848%0.479SS..Hα-helixtrans-62.7-39.3172.4-81.9-178.8-66.1-118.51.3112.6S89 F90 K91 L96 Y97S89-R93 VanDerWaalsContact O-CB 3.25Å; S89-R93 WeakPolarHBondContact O-CB 3.08Å; S89-R93 WeakPolarHBondContact O-CG 3.42Å; S89-R93 PolarHBondContact O-N 3.43Å; S89-R93 PolarHBondContact O-NE 2.93Å; F90-R93 PolarHBondContact O-N 3.34Å; K91-R93 PolarHBondContact O-N 2.8Å; R93-L96 CarbonylContact O-C 3.59Å; R93-L96 PolarHBondContact O-N 3.28Å; R93-Y97 PolarHBondContact O-N 3.27Å
94A75.4Confident69.8Low63 Ų6394.7 Ų94.752%0.52149%0.489SS..Hα-helixtrans-67-47.217700000111.3F90 K91 F92 L96 Y97F90-A94 PolarHBondContact O-N 3.49Å; K91-A94 PolarHBondContact O-N 3.23Å; F92-A94 PolarHBondContact O-N 3.42Å; A94-L96 VanDerWaalsContact C-N 3.26Å; A94-L96 PolarHBondContact O-N 3.21Å; A94-Y97 WeakPolarHBondContact O-CB 3.31Å; A94-Y97 PolarHBondContact O-N 3.07Å
95T71.5Confident69.4Low101 Ų10195.5 Ų95.562%0.6250%0.5SS*.Hα-helixtrans-65-31.8174.3-53.20000111.8K91 F92 P99K91-T95 PolarHBondContact O-N 2.94Å; K91-T95 PolarHBondContact O-OG1 2.86Å; F92-T95 PolarHBondContact O-N 2.98Å; T95-P99 WeakPolarHBondContact O-CD 3.33Å; T95-P99 WeakPolarHBondContact O-CG 3.47Å
96L68.7Low68.9Low43 Ų43102.7 Ų102.723%0.22553%0.526CS..Hα-helixtrans-79.1-17.9174.9-78.2-139.2000113.7F92 R93 A94 L98 P99 V100 F114F92-L96 HydrophobicContact CD1-CD1 3.96Å; F92-L96 HydrophobicContact CD1-CD2 4.45Å; F92-L96 HydrophobicContact CD1-CG 3.66Å; F92-L96 HydrophobicContact CE1-CD1 3.16Å; F92-L96 HydrophobicContact CE1-CD2 3.84Å; F92-L96 HydrophobicContact CE1-CG 3.24Å; F92-L96 HydrophobicContact CE2-CD2 4.04Å; F92-L96 HydrophobicContact CE2-CG 4.28Å; F92-L96 HydrophobicContact CG-CG 4.31Å; F92-L96 HydrophobicContact CZ-CD1 3.66Å; F92-L96 HydrophobicContact CZ-CD2 3.63Å; F92-L96 HydrophobicContact CZ-CG 3.62Å; F92-L96 WeakPolarHBondContact O-CA 3.08Å; F92-L96 WeakPolarHBondContact O-CB 3.2Å; F92-L96 VanDerWaalsContact O-CG 3.27Å; F92-L96 WeakPolarHBondContact O-CG 2.94Å; F92-L96 PolarHBondContact O-N 3.34Å; R93-L96 CarbonylContact O-C 3.59Å; R93-L96 PolarHBondContact O-N 3.28Å; A94-L96 VanDerWaalsContact C-N 3.26Å; A94-L96 PolarHBondContact O-N 3.21Å; L96-L98 VanDerWaalsContact C-N 3.25Å; L96-L98 PolarHBondContact O-N 3.25Å; L96-P99 VanDerWaalsContact C-CD 3.44Å; L96-P99 HydrophobicContact CB-CG 4.47Å; L96-P99 HydrophobicContact CD2-CG 3.9Å; L96-P99 VanDerWaalsContact O-CD 3.24Å; L96-P99 WeakPolarHBondContact O-CD 3.49Å; L96-P99 WeakPolarHBondContact O-CG 3.18Å; L96-V100 HydrophobicContact CB-CG2 4.29Å; L96-V100 WeakPolarHBondContact O-CA 3.43Å; L96-V100 WeakPolarHBondContact O-CB 3.34Å; L96-V100 WeakPolarHBondContact O-CG2 3.3Å; L96-V100 PolarHBondContact O-N 3.29Å; L96-F114 HydrophobicContact CD1-CD2 4.29Å; L96-F114 HydrophobicContact CD1-CE2 4.14Å; L96-F114 HydrophobicContact CD1-CZ 4.47Å
97Y73.6Confident68.5Low163 Ų163103.2 Ų103.264%0.63952%0.519SS*.Hα-helixtrans-62.2-39.7176-130-98.6000110.5R93 A94 V100 L101R93-Y97 PolarHBondContact O-N 3.27Å; A94-Y97 WeakPolarHBondContact O-CB 3.31Å; A94-Y97 PolarHBondContact O-N 3.07Å; Y97-V100 PolarHBondContact O-N 3.3Å; Y97-L101 HydrophobicContact CD1-CD1 3.39Å; Y97-L101 HydrophobicContact CE1-CD1 3.65Å; Y97-L101 HydrophobicContact CG-CD1 4.25Å; Y97-L101 WeakPolarHBondContact O-CB 2.93Å; Y97-L101 WeakPolarHBondContact O-CD1 3.1Å; Y97-L101 PolarHBondContact O-N 2.9Å
98L72.6Confident68.3Low130 Ų130107.3 Ų107.368%0.68153%0.527SS*.Hα-helixtrans-59.1-57.9175.7-122.580.2000113.4L96 L101 L102L96-L98 VanDerWaalsContact C-N 3.25Å; L96-L98 PolarHBondContact O-N 3.25Å; L98-L101 PolarHBondContact O-N 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.28Å; L98-L102 PolarHBondContact O-N 3.15Å; L98-L102 VanDerWaalsContact O-N 3.08Å
99P63.9Low68.2Low42 Ų42102.3 Ų102.327%0.27351%0.506SS..Hα-helixtrans-70.2-30.4174.631.3-35.9000111.1T95 L96 L101 L102 L103T95-P99 WeakPolarHBondContact O-CD 3.33Å; T95-P99 WeakPolarHBondContact O-CG 3.47Å; L96-P99 VanDerWaalsContact C-CD 3.44Å; L96-P99 HydrophobicContact CB-CG 4.47Å; L96-P99 HydrophobicContact CD2-CG 3.9Å; L96-P99 VanDerWaalsContact O-CD 3.24Å; L96-P99 WeakPolarHBondContact O-CD 3.49Å; L96-P99 WeakPolarHBondContact O-CG 3.18Å; P99-L101 PolarHBondContact O-N 2.83Å; P99-L102 CarbonylContact O-C 3.52Å; P99-L102 PolarHBondContact O-N 3.35Å; P99-L103 HydrophobicContact CB-CD1 3.86Å; P99-L103 HydrophobicContact CB-CG 4.35Å; P99-L103 VanDerWaalsContact O-CA 3.31Å; P99-L103 WeakPolarHBondContact O-CA 3.44Å; P99-L103 WeakPolarHBondContact O-CB 3.31Å; P99-L103 WeakPolarHBondContact O-CD1 3.25Å; P99-L103 WeakPolarHBondContact O-CG 3.43Å; P99-L103 PolarHBondContact O-N 2.93Å
100V69.6Low68.2Low61 Ų61103.3 Ų103.337%0.3752%0.515SS..Hα-helixtrans-64.5-40.3175.7164.20000110.3L96 Y97 L103 K104L96-V100 HydrophobicContact CB-CG2 4.29Å; L96-V100 WeakPolarHBondContact O-CA 3.43Å; L96-V100 WeakPolarHBondContact O-CB 3.34Å; L96-V100 WeakPolarHBondContact O-CG2 3.3Å; L96-V100 PolarHBondContact O-N 3.29Å; Y97-V100 PolarHBondContact O-N 3.3Å; V100-L103 PolarHBondContact O-N 2.99Å; V100-K104 WeakPolarHBondContact O-CB 3.43Å; V100-K104 PolarHBondContact O-N 3.1Å
101L68.4Low68.3Low111 Ų111100.7 Ų100.758%0.58151%0.508SS*.Hα-helixtrans-64.9-44.9172.1-93.474.7000111.3Y97 L98 P99 L103Y97-L101 HydrophobicContact CD1-CD1 3.39Å; Y97-L101 HydrophobicContact CE1-CD1 3.65Å; Y97-L101 HydrophobicContact CG-CD1 4.25Å; Y97-L101 WeakPolarHBondContact O-CB 2.93Å; Y97-L101 WeakPolarHBondContact O-CD1 3.1Å; Y97-L101 PolarHBondContact O-N 2.9Å; L98-L101 PolarHBondContact O-N 3.29Å; P99-L101 PolarHBondContact O-N 2.83Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L103 PolarHBondContact O-N 3.36Å
102L63.9Low68.3Low130 Ų13096.5 Ų96.568%0.68149%0.488SS*.Hα-helixtrans-68.6-29.8177-74.6166000113.7L98 P99L98-L102 WeakPolarHBondContact O-CG 3.28Å; L98-L102 PolarHBondContact O-N 3.15Å; L98-L102 VanDerWaalsContact O-N 3.08Å; P99-L102 CarbonylContact O-C 3.52Å; P99-L102 PolarHBondContact O-N 3.35Å
103L63.4Low68.5Low63 Ų6395.3 Ų95.333%0.3349%0.487SS..Hα-helixtrans-91.3-25.8-176.9-67.8166.4000111.2P99 V100 L101 A105 R106 K107 A110P99-L103 HydrophobicContact CB-CD1 3.86Å; P99-L103 HydrophobicContact CB-CG 4.35Å; P99-L103 VanDerWaalsContact O-CA 3.31Å; P99-L103 WeakPolarHBondContact O-CA 3.44Å; P99-L103 WeakPolarHBondContact O-CB 3.31Å; P99-L103 WeakPolarHBondContact O-CD1 3.25Å; P99-L103 WeakPolarHBondContact O-CG 3.43Å; P99-L103 PolarHBondContact O-N 2.93Å; V100-L103 PolarHBondContact O-N 2.99Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L103 PolarHBondContact O-N 3.36Å; L103-A105 PolarHBondContact O-N 3.17Å; L103-R106 CarbonylContact O-C 3.51Å; L103-R106 PolarHBondContact O-N 2.86Å; L103-K107 PolarHBondContact O-N 3.47Å; L103-A110 HydrophobicContact CD1-CB 4.17Å
104K60.6Low68.8Low173 Ų17393.2 Ų93.275%0.75248%0.482SS*.Hα-helixtrans-58.6-34.2171.2-171.279.1165.31750110.6V100 R106V100-K104 WeakPolarHBondContact O-CB 3.43Å; V100-K104 PolarHBondContact O-N 3.1Å; K104-R106 VanDerWaalsContact C-N 3.27Å; K104-R106 PolarHBondContact O-N 2.72Å
105A61.9Low69Low95 Ų9593 Ų9379%0.78548%0.477SS*.THydrogen-bonded Turntrans-74.6-9.9172.800000114L103L103-A105 PolarHBondContact O-N 3.17Å
106R60.5Low69.4Low203 Ų20389.4 Ų89.477%0.76646%0.456SS*.THydrogen-bonded Turntrans-130.8-39.7-171.1-149.9168.3-163.5153.64.9116.7L103 K104L103-R106 CarbonylContact O-C 3.51Å; L103-R106 PolarHBondContact O-N 2.86Å; K104-R106 VanDerWaalsContact C-N 3.27Å; K104-R106 PolarHBondContact O-N 2.72Å
107K61.1Low70Confident90 Ų9091.3 Ų91.339%0.39147%0.465SS..  trans-154.7110.2-167.6-62.7-177.1169.8179.10113.7L103 G109 V160L103-K107 PolarHBondContact O-N 3.47Å; K107-G109 PolarHBondContact O-N 3.29Å; K107-G109 VanDerWaalsContact O-N 3.12Å; K107-V160 HydrophobicContact CB-CG1 4.48Å; K107-V160 HydrophobicContact CB-CG2 4.27Å; K107-V160 HydrophobicContact CD-CG1 3.54Å; K107-V160 HydrophobicContact CG-CG1 3.75Å; K107-V160 HydrophobicContact CG-CG2 4.39Å
108F67.3Low70.2Confident144 Ų14488.8 Ų88.863%0.63246%0.457SS*.THydrogen-bonded Turntrans-56.5-20.1166.2-179.6-110.4000113A110 L111 L156F108-A110 VanDerWaalsContact C-N 3.34Å; F108-A110 PolarHBondContact O-N 3.4Å; F108-L111 HydrophobicContact CD2-CD1 4.35Å; F108-L111 PolarHBondContact O-N 3.39Å; F108-L156 HydrophobicContact CD1-CD1 4Å; F108-L156 HydrophobicContact CE1-CD1 4.4Å
109G68.6Low70.6Confident11 Ų1188.3 Ų88.311%0.11345%0.45CS..Hα-helixtrans-46.9-47.1178.800000115.9K107 L111 Y112 T113 L156K107-G109 PolarHBondContact O-N 3.29Å; K107-G109 VanDerWaalsContact O-N 3.12Å; G109-L111 VanDerWaalsContact C-N 3.3Å; G109-L111 PolarHBondContact O-N 3.38Å; G109-Y112 PolarHBondContact O-N 3.08Å; G109-T113 PolarHBondContact O-N 3.12Å; G109-L156 WeakPolarHBondContact O-CD2 3.42Å
110A70.8Confident71.3Confident38 Ų3889.5 Ų89.531%0.31445%0.454SS..Hα-helixtrans-61.8-39.4-171.700000112.7L103 F108 Y112 T113 F114L103-A110 HydrophobicContact CD1-CB 4.17Å; F108-A110 VanDerWaalsContact C-N 3.34Å; F108-A110 PolarHBondContact O-N 3.4Å; A110-Y112 VanDerWaalsContact C-N 3.3Å; A110-Y112 PolarHBondContact O-N 3.29Å; A110-T113 PolarHBondContact O-N 3.49Å; A110-T113 PolarHBondContact O-OG1 2.8Å; A110-F114 VanDerWaalsContact O-CB 3.28Å; A110-F114 WeakPolarHBondContact O-CB 3.4Å; A110-F114 PolarHBondContact O-N 2.83Å
111L73.3Confident71.5Confident95 Ų9589.5 Ų89.550%0.49745%0.452SS..Hα-helixtrans-63.1-38-179.2-73.5152.4000111.9F108 G109 F114 S115F108-L111 HydrophobicContact CD2-CD1 4.35Å; F108-L111 PolarHBondContact O-N 3.39Å; G109-L111 VanDerWaalsContact C-N 3.3Å; G109-L111 PolarHBondContact O-N 3.38Å; L111-F114 PolarHBondContact O-N 3.31Å; L111-S115 PolarHBondContact O-N 2.86Å
112Y74.2Confident72.1Confident68 Ų6887.2 Ų87.227%0.26745%0.445SS..Hα-helixtrans-66.2-47.8179.9-174.9-85.2000111.5G109 A110 F114 S115 S116 L152 L156G109-Y112 PolarHBondContact O-N 3.08Å; A110-Y112 VanDerWaalsContact C-N 3.3Å; A110-Y112 PolarHBondContact O-N 3.29Å; Y112-F114 VanDerWaalsContact C-N 3.27Å; Y112-F114 PolarHBondContact O-N 2.95Å; Y112-S115 WeakPolarHBondContact O-CB 3.39Å; Y112-S115 PolarHBondContact O-N 3.13Å; Y112-S116 PolarHBondContact O-N 3.28Å; Y112-L152 HydrophobicContact CE1-CB 3.56Å; Y112-L152 HydrophobicContact CE1-CG 4.38Å; Y112-L152 HydrophobicContact CE2-CD2 4.25Å; Y112-L152 WeakPolarHBondContact OH-CB 3.38Å; Y112-L152 WeakPolarHBondContact OH-CD1 3.44Å; Y112-L152 WeakPolarHBondContact OH-CD2 3.33Å; Y112-L152 WeakPolarHBondContact OH-CG 3.38Å; Y112-L156 VanDerWaalsContact CB-CD1 3.48Å; Y112-L156 HydrophobicContact CD1-CD1 4.43Å; Y112-L156 HydrophobicContact CD1-CD2 3.74Å; Y112-L156 HydrophobicContact CD1-CG 4.49Å; Y112-L156 HydrophobicContact CD2-CD1 4.49Å; Y112-L156 HydrophobicContact CG-CD1 3.85Å; Y112-L156 HydrophobicContact CG-CD2 3.94Å; Y112-L156 HydrophobicContact CG-CG 4.38Å
113T79Confident72.6Confident53 Ų5385.3 Ų85.333%0.32543%0.431SS..Hα-helixtrans-63.9-35.8174.950.70000112G109 A110 S115 S116 I117 L156G109-T113 PolarHBondContact O-N 3.12Å; A110-T113 PolarHBondContact O-N 3.49Å; A110-T113 PolarHBondContact O-OG1 2.8Å; T113-S115 VanDerWaalsContact C-N 3.34Å; T113-S115 PolarHBondContact O-N 2.85Å; T113-S116 PolarHBondContact O-N 3.26Å; T113-I117 WeakPolarHBondContact O-CG1 3.31Å; T113-I117 PolarHBondContact O-N 3.21Å; T113-L156 HydrophobicContact CG2-CD2 4.33Å
114F77.4Confident73Confident80 Ų8083.4 Ų83.435%0.35142%0.423SS..Hα-helixtrans-68.7-35-179.4-153.9-106.8000112.6F92 L96 A110 L111 Y112 F118F92-F114 AromaticContact CD1-CE2 3.92Å; F92-F114 HydrophobicContact CD1-CE2 3.92Å; F92-F114 AromaticContact CD1-CZ 3.78Å; F92-F114 HydrophobicContact CD1-CZ 3.78Å; F92-F114 HydrophobicContact CE1-CD2 4.17Å; F92-F114 AromaticContact CE1-CE2 3.16Å; F92-F114 HydrophobicContact CE1-CE2 3.16Å; F92-F114 AromaticContact CE1-CZ 3.5Å; F92-F114 HydrophobicContact CE1-CZ 3.5Å; F92-F114 VanDerWaalsContact CE1-CZ 3.5Å; F92-F114 HydrophobicContact CZ-CE2 4Å; L96-F114 HydrophobicContact CD1-CD2 4.29Å; L96-F114 HydrophobicContact CD1-CE2 4.14Å; L96-F114 HydrophobicContact CD1-CZ 4.47Å; A110-F114 VanDerWaalsContact O-CB 3.28Å; A110-F114 WeakPolarHBondContact O-CB 3.4Å; A110-F114 PolarHBondContact O-N 2.83Å; L111-F114 PolarHBondContact O-N 3.31Å; Y112-F114 VanDerWaalsContact C-N 3.27Å; Y112-F114 PolarHBondContact O-N 2.95Å; F114-F118 PolarHBondContact O-N 3.37Å
115S78.7Confident73.5Confident60 Ų6079.2 Ų79.242%0.4241%0.408SS..Hα-helixtrans-59.1-47.5173.1-176.10000111.2L111 Y112 T113 I117 F118 F119L111-S115 PolarHBondContact O-N 2.86Å; Y112-S115 WeakPolarHBondContact O-CB 3.39Å; Y112-S115 PolarHBondContact O-N 3.13Å; T113-S115 VanDerWaalsContact C-N 3.34Å; T113-S115 PolarHBondContact O-N 2.85Å; S115-I117 PolarHBondContact O-N 2.94Å; S115-F118 PolarHBondContact O-N 2.83Å; S115-F119 WeakPolarHBondContact O-CD2 3.49Å; S115-F119 PolarHBondContact O-N 3.33Å; S115-F119 VanDerWaalsContact O-N 3.09Å
116S80.9Confident73.9Confident25 Ų2581.2 Ų81.218%0.17541%0.405CS..Hα-helixtrans-67.3-40.8-176.2-158.70000113.2Y112 T113 F118 F119 L120 F149Y112-S116 PolarHBondContact O-N 3.28Å; T113-S116 PolarHBondContact O-N 3.26Å; S116-F118 VanDerWaalsContact C-N 3.33Å; S116-F118 PolarHBondContact O-N 2.9Å; S116-F119 PolarHBondContact O-N 2.93Å; S116-L120 WeakPolarHBondContact O-CG 3.15Å; S116-L120 PolarHBondContact O-N 3.38Å; S116-F149 WeakPolarHBondContact OG-CE2 3.43Å
117I80.7Confident74.3Confident83 Ų8374.4 Ų74.443%0.42638%0.383SS..Hα-helixtrans-60-44.9176-65.8163.9000110.5T113 S115 F119 L120 L121T113-I117 WeakPolarHBondContact O-CG1 3.31Å; T113-I117 PolarHBondContact O-N 3.21Å; S115-I117 PolarHBondContact O-N 2.94Å; I117-F119 VanDerWaalsContact C-N 3.32Å; I117-F119 PolarHBondContact O-N 3.32Å; I117-L120 PolarHBondContact O-N 3Å; I117-L121 HydrophobicContact CG2-CD1 3.95Å; I117-L121 WeakPolarHBondContact O-CD1 3.38Å; I117-L121 PolarHBondContact O-N 2.9Å
118F77.8Confident74.7Confident109 Ų10971.1 Ų71.148%0.47838%0.375SS..Hα-helixtrans-63.8-38179.5-168.6-102.3000112.5F85 F114 S115 S116 L121 S122F85-F118 HydrophobicContact CE1-CD2 4.37Å; F85-F118 AromaticContact CE1-CE2 3.93Å; F85-F118 HydrophobicContact CE1-CE2 3.93Å; F85-F118 HydrophobicContact CZ-CD2 4.01Å; F85-F118 AromaticContact CZ-CE2 3.99Å; F85-F118 HydrophobicContact CZ-CE2 3.99Å; F114-F118 PolarHBondContact O-N 3.37Å; S115-F118 PolarHBondContact O-N 2.83Å; S116-F118 VanDerWaalsContact C-N 3.33Å; S116-F118 PolarHBondContact O-N 2.9Å; F118-L121 PolarHBondContact O-N 2.76Å; F118-S122 WeakPolarHBondContact O-CB 3.46Å; F118-S122 PolarHBondContact O-N 3.33Å
119F80.8Confident74.5Confident120 Ų12068.1 Ų68.153%0.52637%0.37SS..Hα-helixtrans-63.3-46.8174.2-93.6-74.7000112.6S115 S116 I117 L121 S122 F123S115-F119 WeakPolarHBondContact O-CD2 3.49Å; S115-F119 PolarHBondContact O-N 3.33Å; S115-F119 VanDerWaalsContact O-N 3.09Å; S116-F119 PolarHBondContact O-N 2.93Å; I117-F119 VanDerWaalsContact C-N 3.32Å; I117-F119 PolarHBondContact O-N 3.32Å; F119-L121 VanDerWaalsContact C-N 3.27Å; F119-L121 PolarHBondContact O-N 3.39Å; F119-S122 PolarHBondContact O-N 3.38Å; F119-F123 AromaticContact CD1-CE2 3.93Å; F119-F123 HydrophobicContact CD1-CE2 3.93Å; F119-F123 VanDerWaalsContact O-CD2 3.26Å; F119-F123 WeakPolarHBondContact O-CD2 3.41Å; F119-F123 PolarHBondContact O-N 2.9Å; F119-F123 VanDerWaalsContact O-N 3.08Å
120L77.5Confident74.2Confident67 Ų6773 Ų7335%0.35139%0.393SS..Hα-helixtrans-59.7-41.5177.2-69.4174.7000111.1S116 I117 S124S116-L120 WeakPolarHBondContact O-CG 3.15Å; S116-L120 PolarHBondContact O-N 3.38Å; I117-L120 PolarHBondContact O-N 3Å; L120-S124 WeakPolarHBondContact O-CB 3.17Å; L120-S124 PolarHBondContact O-N 3.48Å
121L75.5Confident73.8Confident62 Ų6273.4 Ų73.433%0.32539%0.393SS..Hα-helixtrans-70.1-37.8179.8-88.972.5000112.5F85 I117 F118 F119 S124 I125F85-L121 HydrophobicContact CD2-CD2 3.58Å; F85-L121 HydrophobicContact CE1-CB 4.41Å; F85-L121 HydrophobicContact CE2-CB 4.1Å; F85-L121 HydrophobicContact CE2-CD2 3.01Å; F85-L121 HydrophobicContact CE2-CG 4.14Å; F85-L121 HydrophobicContact CZ-CB 3.83Å; F85-L121 HydrophobicContact CZ-CD2 3.63Å; F85-L121 HydrophobicContact CZ-CG 4.37Å; I117-L121 HydrophobicContact CG2-CD1 3.95Å; I117-L121 WeakPolarHBondContact O-CD1 3.38Å; I117-L121 PolarHBondContact O-N 2.9Å; F118-L121 PolarHBondContact O-N 2.76Å; F119-L121 VanDerWaalsContact C-N 3.27Å; F119-L121 PolarHBondContact O-N 3.39Å; L121-S124 WeakPolarHBondContact O-CB 3.43Å; L121-S124 PolarHBondContact O-N 2.97Å; L121-I125 WeakPolarHBondContact O-CG1 3.43Å; L121-I125 PolarHBondContact O-N 2.96Å; L121-I125 VanDerWaalsContact O-N 3.13Å
122S79.3Confident73.5Confident62 Ų6269.7 Ų69.743%0.43437%0.373SS..Hα-helixtrans-60.2-49.2174.6-172.10000111.8F118 F119 I125 L126F118-S122 WeakPolarHBondContact O-CB 3.46Å; F118-S122 PolarHBondContact O-N 3.33Å; F119-S122 PolarHBondContact O-N 3.38Å; S122-I125 PolarHBondContact O-N 2.85Å; S122-L126 PolarHBondContact O-N 3.12Å
123F74.4Confident72.9Confident90 Ų9069.2 Ų69.240%0.39538%0.377SS..Hα-helixtrans-71.4-31.3177.3-72.5-61.7000113.7F119 I125 L126 L127 F132F119-F123 AromaticContact CD1-CE2 3.93Å; F119-F123 HydrophobicContact CD1-CE2 3.93Å; F119-F123 VanDerWaalsContact O-CD2 3.26Å; F119-F123 WeakPolarHBondContact O-CD2 3.41Å; F119-F123 PolarHBondContact O-N 2.9Å; F119-F123 VanDerWaalsContact O-N 3.08Å; F123-I125 VanDerWaalsContact C-N 3.25Å; F123-I125 PolarHBondContact O-N 3Å; F123-L126 PolarHBondContact O-N 2.81Å; F123-L126 VanDerWaalsContact O-N 3.1Å; F123-L127 HydrophobicContact CD1-CD1 4.48Å; F123-L127 PolarHBondContact O-N 2.76Å; F123-F132 HydrophobicContact CB-CD1 3.81Å; F123-F132 HydrophobicContact CB-CD2 4.29Å; F123-F132 HydrophobicContact CB-CE1 3.27Å; F123-F132 HydrophobicContact CB-CE2 3.8Å; F123-F132 HydrophobicContact CB-CG 4.28Å; F123-F132 HydrophobicContact CB-CZ 3.25Å; F123-F132 HydrophobicContact CD1-CZ 4.38Å; F123-F132 HydrophobicContact CD2-CE1 4.4Å; F123-F132 HydrophobicContact CD2-CZ 4.06Å; F123-F132 HydrophobicContact CG-CE1 4.1Å; F123-F132 HydrophobicContact CG-CE2 4.28Å; F123-F132 AromaticContact CG-CZ 3.68Å; F123-F132 HydrophobicContact CG-CZ 3.68Å
124S73.7Confident72.1Confident23 Ų2374.5 Ų74.516%0.16139%0.392CS..Hα-helixtrans-59.7-36.2174.3174.50000111.7L120 L121 G128 P129L120-S124 WeakPolarHBondContact O-CB 3.17Å; L120-S124 PolarHBondContact O-N 3.48Å; L121-S124 WeakPolarHBondContact O-CB 3.43Å; L121-S124 PolarHBondContact O-N 2.97Å; S124-G128 CarbonylContact O-C 3.1Å; S124-G128 WeakPolarHBondContact O-CA 3.19Å; S124-G128 PolarHBondContact O-N 3.47Å; S124-P129 WeakPolarHBondContact O-CA 3.16Å; S124-P129 WeakPolarHBondContact O-CD 3.26Å; S124-P129 VanDerWaalsContact O-N 3.07Å; S124-P129 WeakPolarHBondContact OG-CA 3.47Å; S124-P129 WeakPolarHBondContact OG-CB 3Å
125I70.5Confident71.3Confident85 Ų8574.3 Ų74.344%0.43639%0.394SS..Hα-helixtrans-74-36173.8-63.6163.5000111.1V82 F85 L121 S122 F123V82-I125 HydrophobicContact CG2-CG2 4.2Å; F85-I125 HydrophobicContact CD1-CD1 4.06Å; F85-I125 HydrophobicContact CG-CD1 4.48Å; L121-I125 WeakPolarHBondContact O-CG1 3.43Å; L121-I125 PolarHBondContact O-N 2.96Å; L121-I125 VanDerWaalsContact O-N 3.13Å; S122-I125 PolarHBondContact O-N 2.85Å; F123-I125 VanDerWaalsContact C-N 3.25Å; F123-I125 PolarHBondContact O-N 3Å
126L70.1Confident70.5Confident137 Ų13774.9 Ų74.972%0.71739%0.392SS*.Hα-helixtrans-75.6-41.3-174.7-144.689.9000113.7S122 F123S122-L126 PolarHBondContact O-N 3.12Å; F123-L126 PolarHBondContact O-N 2.81Å; F123-L126 VanDerWaalsContact O-N 3.1Å
127L69.3Low69.5Low61 Ų6178.5 Ų78.532%0.31940%0.404SS..Hα-helixtrans-101.7-7.5-178.2-81.184.9000114.1F62 F123 F132F62-L127 HydrophobicContact CD1-CD2 4.21Å; F123-L127 HydrophobicContact CD1-CD1 4.48Å; F123-L127 PolarHBondContact O-N 2.76Å; L127-F132 HydrophobicContact CB-CB 3.91Å; L127-F132 HydrophobicContact CB-CD2 3.64Å; L127-F132 HydrophobicContact CB-CG 4.14Å; L127-F132 HydrophobicContact CD1-CD2 3.98Å; L127-F132 HydrophobicContact CD1-CE2 4.1Å; L127-F132 HydrophobicContact CD2-CD2 3.6Å; L127-F132 HydrophobicContact CD2-CE2 3.98Å; L127-F132 HydrophobicContact CG-CD2 3.91Å; L127-F132 HydrophobicContact CG-CE2 4.43Å
128G69.2Low68.5Low21 Ų2177.8 Ų77.822%0.21641%0.407CS..  trans94.3129.7-173.400000112.1S124 L130 S131 F132S124-G128 CarbonylContact O-C 3.1Å; S124-G128 WeakPolarHBondContact O-CA 3.19Å; S124-G128 PolarHBondContact O-N 3.47Å; G128-L130 PolarHBondContact O-N 3.49Å; G128-S131 PolarHBondContact O-N 3.48Å; G128-S131 VanDerWaalsContact O-N 3.13Å; G128-F132 WeakPolarHBondContact O-CB 3.39Å; G128-F132 PolarHBondContact O-N 2.92Å
129P64Low67.5Low81 Ų8179 Ų7953%0.52642%0.419SS..Hα-helixtrans-65.6-39.9-157.118.9-31.8000114.7S124 T133S124-P129 WeakPolarHBondContact O-CA 3.16Å; S124-P129 WeakPolarHBondContact O-CD 3.26Å; S124-P129 VanDerWaalsContact O-N 3.07Å; S124-P129 WeakPolarHBondContact OG-CA 3.47Å; S124-P129 WeakPolarHBondContact OG-CB 3Å; P129-T133 PolarHBondContact O-OG1 3.38Å
130L60.9Low66.9Low112 Ų11282 Ų8259%0.58643%0.434SS*.Hα-helixtrans-88-17.8-179.4-66.2171.5000112.9G128 R134G128-L130 PolarHBondContact O-N 3.49Å; L130-R134 WeakPolarHBondContact O-CB 3.37Å; L130-R134 WeakPolarHBondContact O-CG 3.44Å; L130-R134 PolarHBondContact O-N 2.91Å; L130-R134 PolarHBondContact O-NH1 3.2Å
131S63.1Low66.4Low47 Ų4788 Ų8833%0.32945%0.452SS..Hα-helixtrans-83.8-43.1178.5-48.10000109.9G128 R134 L135G128-S131 PolarHBondContact O-N 3.48Å; G128-S131 VanDerWaalsContact O-N 3.13Å; S131-R134 PolarHBondContact O-N 3.1Å; S131-L135 VanDerWaalsContact O-CB 3.24Å; S131-L135 WeakPolarHBondContact O-CB 3.46Å; S131-L135 PolarHBondContact O-N 3.25Å
132F65.6Low66.4Low17 Ų1787.2 Ų87.28%0.07545%0.447CS..Hα-helixtrans-66.1-48.1179.3-172.1-108.1000112.6F123 L127 G128 R134 L135 L136F123-F132 HydrophobicContact CB-CD1 3.81Å; F123-F132 HydrophobicContact CB-CD2 4.29Å; F123-F132 HydrophobicContact CB-CE1 3.27Å; F123-F132 HydrophobicContact CB-CE2 3.8Å; F123-F132 HydrophobicContact CB-CG 4.28Å; F123-F132 HydrophobicContact CB-CZ 3.25Å; F123-F132 HydrophobicContact CD1-CZ 4.38Å; F123-F132 HydrophobicContact CD2-CE1 4.4Å; F123-F132 HydrophobicContact CD2-CZ 4.06Å; F123-F132 HydrophobicContact CG-CE1 4.1Å; F123-F132 HydrophobicContact CG-CE2 4.28Å; F123-F132 AromaticContact CG-CZ 3.68Å; F123-F132 HydrophobicContact CG-CZ 3.68Å; L127-F132 HydrophobicContact CB-CB 3.91Å; L127-F132 HydrophobicContact CB-CD2 3.64Å; L127-F132 HydrophobicContact CB-CG 4.14Å; L127-F132 HydrophobicContact CD1-CD2 3.98Å; L127-F132 HydrophobicContact CD1-CE2 4.1Å; L127-F132 HydrophobicContact CD2-CD2 3.6Å; L127-F132 HydrophobicContact CD2-CE2 3.98Å; L127-F132 HydrophobicContact CG-CD2 3.91Å; L127-F132 HydrophobicContact CG-CE2 4.43Å; G128-F132 WeakPolarHBondContact O-CB 3.39Å; G128-F132 PolarHBondContact O-N 2.92Å; F132-R134 PolarHBondContact O-N 3.38Å; F132-L135 PolarHBondContact O-N 3.36Å; F132-L135 VanDerWaalsContact O-N 3.12Å; F132-L136 HydrophobicContact CD1-CD1 4.2Å; F132-L136 HydrophobicContact CD1-CG 4.46Å; F132-L136 HydrophobicContact CE1-CD1 3.35Å; F132-L136 HydrophobicContact CE1-CG 3.97Å; F132-L136 HydrophobicContact CE2-CD1 4.21Å; F132-L136 HydrophobicContact CE2-CD2 4.45Å; F132-L136 HydrophobicContact CE2-CG 4.15Å; F132-L136 HydrophobicContact CZ-CD1 3.37Å; F132-L136 HydrophobicContact CZ-CD2 4.32Å; F132-L136 HydrophobicContact CZ-CG 3.81Å; F132-L136 PolarHBondContact O-N 3.34Å
133T62.5Low66.5Low58 Ų5888.5 Ų88.536%0.35646%0.457SS..Hα-helixtrans-60.9-44.6176.139.60000110.9P129 L135 L136 F137P129-T133 PolarHBondContact O-OG1 3.38Å; T133-L135 VanDerWaalsContact C-N 3.29Å; T133-L135 PolarHBondContact O-N 2.9Å; T133-L136 PolarHBondContact O-N 3.13Å; T133-F137 WeakPolarHBondContact O-CA 3.42Å; T133-F137 WeakPolarHBondContact O-CB 3.46Å; T133-F137 WeakPolarHBondContact O-CD2 3.38Å; T133-F137 PolarHBondContact O-N 2.93Å
134R62.3Low66.6Low165 Ų16592.9 Ų92.962%0.62347%0.472SS*.Hα-helixtrans-66.2-27.7173.8-78.2-169.1-160.995.8-2.7114.2L130 S131 F132 F137 S138L130-R134 WeakPolarHBondContact O-CB 3.37Å; L130-R134 WeakPolarHBondContact O-CG 3.44Å; L130-R134 PolarHBondContact O-N 2.91Å; L130-R134 PolarHBondContact O-NH1 3.2Å; S131-R134 PolarHBondContact O-N 3.1Å; F132-R134 PolarHBondContact O-N 3.38Å; R134-F137 CarbonylContact O-C 3.44Å; R134-S138 WeakPolarHBondContact O-CA 3.31Å; R134-S138 WeakPolarHBondContact O-CB 3.4Å; R134-S138 PolarHBondContact O-N 2.65Å
135L59.7Low66.9Low76 Ų7694 Ų9440%0.39848%0.478SS..Hα-helixtrans-75.1-42.7178.3-166.569.9000111.3F62 S131 F132 T133F62-L135 HydrophobicContact CD2-CD1 4.16Å; F62-L135 HydrophobicContact CD2-CD2 3.5Å; F62-L135 HydrophobicContact CD2-CG 4.45Å; F62-L135 HydrophobicContact CE1-CD2 4.24Å; F62-L135 HydrophobicContact CE2-CD1 3.26Å; F62-L135 HydrophobicContact CE2-CD2 3.2Å; F62-L135 HydrophobicContact CE2-CG 3.79Å; F62-L135 HydrophobicContact CG-CD2 4.2Å; F62-L135 HydrophobicContact CZ-CB 4.49Å; F62-L135 HydrophobicContact CZ-CD1 3.83Å; F62-L135 HydrophobicContact CZ-CD2 3.58Å; F62-L135 HydrophobicContact CZ-CG 4.16Å; S131-L135 VanDerWaalsContact O-CB 3.24Å; S131-L135 WeakPolarHBondContact O-CB 3.46Å; S131-L135 PolarHBondContact O-N 3.25Å; F132-L135 PolarHBondContact O-N 3.36Å; F132-L135 VanDerWaalsContact O-N 3.12Å; T133-L135 VanDerWaalsContact C-N 3.29Å; T133-L135 PolarHBondContact O-N 2.9Å
136L63.4Low67.4Low71 Ų7194.7 Ų94.737%0.37248%0.482SS..Hα-helixtrans-74.2-34.7174.4-68.2-164.5000112.8F132 T133 S138F132-L136 HydrophobicContact CD1-CD1 4.2Å; F132-L136 HydrophobicContact CD1-CG 4.46Å; F132-L136 HydrophobicContact CE1-CD1 3.35Å; F132-L136 HydrophobicContact CE1-CG 3.97Å; F132-L136 HydrophobicContact CE2-CD1 4.21Å; F132-L136 HydrophobicContact CE2-CD2 4.45Å; F132-L136 HydrophobicContact CE2-CG 4.15Å; F132-L136 HydrophobicContact CZ-CD1 3.37Å; F132-L136 HydrophobicContact CZ-CD2 4.32Å; F132-L136 HydrophobicContact CZ-CG 3.81Å; F132-L136 PolarHBondContact O-N 3.34Å; T133-L136 PolarHBondContact O-N 3.13Å; L136-S138 VanDerWaalsContact C-N 3.34Å
137F59.4Low68.3Low101 Ų10194.2 Ų94.244%0.44348%0.479SS..THydrogen-bonded Turntrans-94.319.5173.4-76.5-87.1000113.1T133 R134 N139 I142 L146T133-F137 WeakPolarHBondContact O-CA 3.42Å; T133-F137 WeakPolarHBondContact O-CB 3.46Å; T133-F137 WeakPolarHBondContact O-CD2 3.38Å; T133-F137 PolarHBondContact O-N 2.93Å; R134-F137 CarbonylContact O-C 3.44Å; F137-N139 PolarHBondContact O-N 3.48Å; F137-I142 HydrophobicContact CB-CG2 4.08Å; F137-I142 HydrophobicContact CD1-CB 4.47Å; F137-I142 HydrophobicContact CD1-CG2 3.77Å; F137-I142 HydrophobicContact CG-CG2 4.39Å; F137-I142 WeakPolarHBondContact O-CG2 3.37Å; F137-L146 HydrophobicContact CE1-CD2 4.48Å
138S60Low68.8Low68 Ų6898.6 Ų98.648%0.47649%0.493SS..  trans-57.7120.3173.4-170.80000106.5R134 L136 E140 R141R134-S138 WeakPolarHBondContact O-CA 3.31Å; R134-S138 WeakPolarHBondContact O-CB 3.4Å; R134-S138 PolarHBondContact O-N 2.65Å; L136-S138 VanDerWaalsContact C-N 3.34Å; S138-E140 PolarHBondContact O-N 2.84Å; S138-R141 PolarHBondContact O-N 3.35Å
139N56.8Low69.4Low136 Ų136101.6 Ų101.673%0.72750%0.5SS*.THydrogen-bonded Turntrans-50.5-23-156.2-78.2-41.3000114.4F137 R141 I142F137-N139 PolarHBondContact O-N 3.48Å; N139-R141 VanDerWaalsContact C-N 3.3Å; N139-R141 PolarHBondContact O-N 2.99Å; N139-I142 WeakPolarHBondContact O-CD1 3.17Å; N139-I142 VanDerWaalsContact O-CG1 3.31Å; N139-I142 WeakPolarHBondContact O-CG1 3.41Å
140E66.9Low70.5Confident182 Ų18299.3 Ų99.385%0.8549%0.491SS*.THydrogen-bonded Turntrans-71.7-19.3-176.9-154.5160.2-171.700114.1S138S138-E140 PolarHBondContact O-N 2.84Å
141R68.6Low71.8Confident194 Ų19496.9 Ų96.973%0.73248%0.484SS*.SBendtrans-123.75.6-175.8-57.4-176.9-173.5-176.71.3114.5S138 N139 S143 Y144 T145S138-R141 PolarHBondContact O-N 3.35Å; N139-R141 VanDerWaalsContact C-N 3.3Å; N139-R141 PolarHBondContact O-N 2.99Å; R141-S143 VanDerWaalsContact C-N 3.25Å; R141-S143 PolarHBondContact O-N 2.79Å; R141-Y144 WeakPolarHBondContact O-CB 3.26Å; R141-Y144 PolarHBondContact O-N 3.31Å; R141-T145 PolarHBondContact O-N 3.48Å; R141-T145 PolarHBondContact O-OG1 2.81Å
142I75.3Confident72.7Confident44 Ų4496.4 Ų96.423%0.22648%0.477CS..Hα-helixtrans-58.5-36.3-177.359.6-170.3000112.7F137 N139 Y144 T145 L146F137-I142 HydrophobicContact CB-CG2 4.08Å; F137-I142 HydrophobicContact CD1-CB 4.47Å; F137-I142 HydrophobicContact CD1-CG2 3.77Å; F137-I142 HydrophobicContact CG-CG2 4.39Å; F137-I142 WeakPolarHBondContact O-CG2 3.37Å; N139-I142 WeakPolarHBondContact O-CD1 3.17Å; N139-I142 VanDerWaalsContact O-CG1 3.31Å; N139-I142 WeakPolarHBondContact O-CG1 3.41Å; I142-Y144 PolarHBondContact O-N 3.47Å; I142-T145 WeakPolarHBondContact CA-OG1 3.28Å; I142-T145 PolarHBondContact O-N 2.88Å; I142-T145 PolarHBondContact O-OG1 2.78Å; I142-L146 VanDerWaalsContact O-CB 3.22Å; I142-L146 WeakPolarHBondContact O-CB 3.39Å; I142-L146 VanDerWaalsContact O-CG 3.26Å; I142-L146 WeakPolarHBondContact O-CG 3.45Å; I142-L146 PolarHBondContact O-N 3.37Å
143S81.7Confident73.6Confident90 Ų9098.3 Ų98.363%0.62949%0.49SS*.Hα-helixtrans-59.5-37.8177-55.60000111.1R141 L147R141-S143 VanDerWaalsContact C-N 3.25Å; R141-S143 PolarHBondContact O-N 2.79Å; S143-L147 VanDerWaalsContact O-CB 3.28Å; S143-L147 WeakPolarHBondContact O-CB 3.33Å; S143-L147 PolarHBondContact O-N 2.76Å
144Y75.2Confident74.6Confident181 Ų18198.1 Ų98.171%0.7149%0.494SS*.Hα-helixtrans-71.9-44.9-179.9-172.6-98.4000112.4R141 I142 L147 Y148R141-Y144 WeakPolarHBondContact O-CB 3.26Å; R141-Y144 PolarHBondContact O-N 3.31Å; I142-Y144 PolarHBondContact O-N 3.47Å; Y144-L147 PolarHBondContact O-N 2.78Å; Y144-Y148 WeakPolarHBondContact O-CB 3.33Å; Y144-Y148 PolarHBondContact O-N 2.78Å
145T79.9Confident75.6Confident46 Ų4694.8 Ų94.828%0.28249%0.493SS..Hα-helixtrans-67-40.317732.30000111.9R141 I142 L147 Y148 F149R141-T145 PolarHBondContact O-N 3.48Å; R141-T145 PolarHBondContact O-OG1 2.81Å; I142-T145 WeakPolarHBondContact CA-OG1 3.28Å; I142-T145 PolarHBondContact O-N 2.88Å; I142-T145 PolarHBondContact O-OG1 2.78Å; T145-L147 VanDerWaalsContact C-N 3.35Å; T145-Y148 PolarHBondContact O-N 3.01Å; T145-F149 VanDerWaalsContact O-CB 3.31Å; T145-F149 WeakPolarHBondContact O-CB 3.15Å; T145-F149 PolarHBondContact O-N 2.93Å
146L82.3Confident76.3Confident101 Ų10192 Ų9253%0.52948%0.478SS..Hα-helixtrans-64.9-37.4172.9-73.2172.8000111.8F137 I142 G150F137-L146 HydrophobicContact CE1-CD2 4.48Å; I142-L146 VanDerWaalsContact O-CB 3.22Å; I142-L146 WeakPolarHBondContact O-CB 3.39Å; I142-L146 VanDerWaalsContact O-CG 3.26Å; I142-L146 WeakPolarHBondContact O-CG 3.45Å; I142-L146 PolarHBondContact O-N 3.37Å; L146-G150 VanDerWaalsContact O-CA 3.24Å; L146-G150 WeakPolarHBondContact O-CA 3.24Å; L146-G150 PolarHBondContact O-N 3.47Å
147L87.4Confident77Confident127 Ų12795.7 Ų95.767%0.66549%0.488SS*.Hα-helixtrans-67-40.3175.1-132.7134000111.6S143 Y144 T145 S151S143-L147 VanDerWaalsContact O-CB 3.28Å; S143-L147 WeakPolarHBondContact O-CB 3.33Å; S143-L147 PolarHBondContact O-N 2.76Å; Y144-L147 PolarHBondContact O-N 2.78Å; T145-L147 VanDerWaalsContact C-N 3.35Å; L147-S151 WeakPolarHBondContact O-CB 3.26Å; L147-S151 PolarHBondContact O-N 3.5Å
148Y79.7Confident77.8Confident153 Ų15397.1 Ų97.160%0.649%0.494SS*.Hα-helixtrans-64.7-54.3176.1-179.2-105.4000110.9Y144 T145 G150 S151 L152Y144-Y148 WeakPolarHBondContact O-CB 3.33Å; Y144-Y148 PolarHBondContact O-N 2.78Å; T145-Y148 PolarHBondContact O-N 3.01Å; Y148-G150 VanDerWaalsContact C-N 3.29Å; Y148-G150 PolarHBondContact O-N 3.46Å; Y148-S151 PolarHBondContact O-N 3.08Å; Y148-L152 HydrophobicContact CD1-CD1 3.66Å; Y148-L152 HydrophobicContact CD2-CD1 4.43Å; Y148-L152 HydrophobicContact CE1-CD1 3.34Å; Y148-L152 HydrophobicContact CE2-CD1 4.17Å; Y148-L152 HydrophobicContact CG-CD1 4.2Å; Y148-L152 WeakPolarHBondContact O-CB 3.37Å; Y148-L152 WeakPolarHBondContact O-CD1 3.2Å; Y148-L152 WeakPolarHBondContact O-CG 3.32Å; Y148-L152 PolarHBondContact O-N 2.92Å
149F83.3Confident78.3Confident83 Ų8397.3 Ų97.336%0.36450%0.495SS..Hα-helixtrans-62.7-38.7178.2-162.5-84.6000111.7S116 T145 L152 V153S116-F149 WeakPolarHBondContact OG-CE2 3.43Å; T145-F149 VanDerWaalsContact O-CB 3.31Å; T145-F149 WeakPolarHBondContact O-CB 3.15Å; T145-F149 PolarHBondContact O-N 2.93Å; F149-L152 WeakPolarHBondContact O-CB 3.27Å; F149-L152 PolarHBondContact O-N 3.43Å; F149-V153 HydrophobicContact CD1-CG2 3.9Å; F149-V153 HydrophobicContact CE1-CG2 3.78Å; F149-V153 VanDerWaalsContact O-CG2 3.32Å; F149-V153 WeakPolarHBondContact O-CG2 3.29Å; F149-V153 PolarHBondContact O-N 3Å
150G87.3Confident79Confident33 Ų3392 Ų9234%0.3447%0.468SS..Hα-helixtrans-66-45.7176.100000112.3L146 Y148 L152 V153 A154L146-G150 VanDerWaalsContact O-CA 3.24Å; L146-G150 WeakPolarHBondContact O-CA 3.24Å; L146-G150 PolarHBondContact O-N 3.47Å; Y148-G150 VanDerWaalsContact C-N 3.29Å; Y148-G150 PolarHBondContact O-N 3.46Å; G150-L152 PolarHBondContact O-N 3.22Å; G150-V153 CarbonylContact O-C 3.49Å; G150-V153 PolarHBondContact O-N 2.92Å; G150-A154 WeakPolarHBondContact O-CA 3.2Å; G150-A154 WeakPolarHBondContact O-CB 3.49Å; G150-A154 PolarHBondContact O-N 3.11Å
151S88.1Confident79.1Confident62 Ų6289.7 Ų89.743%0.43445%0.452SS..Hα-helixtrans-57.3-40.7173.9162.70000111.7L147 Y148 A154 T155L147-S151 WeakPolarHBondContact O-CB 3.26Å; L147-S151 PolarHBondContact O-N 3.5Å; Y148-S151 PolarHBondContact O-N 3.08Å; S151-A154 PolarHBondContact O-N 3.39Å; S151-T155 WeakPolarHBondContact O-CB 3.19Å; S151-T155 PolarHBondContact O-N 3.35Å; S151-T155 PolarHBondContact O-OG1 3.5Å
152L82Confident78.9Confident37 Ų3784.4 Ų84.419%0.19444%0.44CS..Hα-helixtrans-67.4-47.7177.6-74.9171.4000112.3Y112 Y148 F149 G150 A154 L156Y112-L152 HydrophobicContact CE1-CB 3.56Å; Y112-L152 HydrophobicContact CE1-CG 4.38Å; Y112-L152 HydrophobicContact CE2-CD2 4.25Å; Y112-L152 WeakPolarHBondContact OH-CB 3.38Å; Y112-L152 WeakPolarHBondContact OH-CD1 3.44Å; Y112-L152 WeakPolarHBondContact OH-CD2 3.33Å; Y112-L152 WeakPolarHBondContact OH-CG 3.38Å; Y148-L152 HydrophobicContact CD1-CD1 3.66Å; Y148-L152 HydrophobicContact CD2-CD1 4.43Å; Y148-L152 HydrophobicContact CE1-CD1 3.34Å; Y148-L152 HydrophobicContact CE2-CD1 4.17Å; Y148-L152 HydrophobicContact CG-CD1 4.2Å; Y148-L152 WeakPolarHBondContact O-CB 3.37Å; Y148-L152 WeakPolarHBondContact O-CD1 3.2Å; Y148-L152 WeakPolarHBondContact O-CG 3.32Å; Y148-L152 PolarHBondContact O-N 2.92Å; F149-L152 WeakPolarHBondContact O-CB 3.27Å; F149-L152 PolarHBondContact O-N 3.43Å; G150-L152 PolarHBondContact O-N 3.22Å; L152-A154 VanDerWaalsContact C-N 3.31Å; L152-A154 PolarHBondContact O-N 3.4Å; L152-L156 VanDerWaalsContact O-CB 3.32Å; L152-L156 WeakPolarHBondContact O-CB 3.47Å; L152-L156 PolarHBondContact O-N 2.97Å
153V83.5Confident78.3Confident56 Ų5686.8 Ų86.834%0.33946%0.461SS..Hα-helixtrans-65-35.2173.4173.80000111.2F149 G150 L156 Y157F149-V153 HydrophobicContact CD1-CG2 3.9Å; F149-V153 HydrophobicContact CE1-CG2 3.78Å; F149-V153 VanDerWaalsContact O-CG2 3.32Å; F149-V153 WeakPolarHBondContact O-CG2 3.29Å; F149-V153 PolarHBondContact O-N 3Å; G150-V153 CarbonylContact O-C 3.49Å; G150-V153 PolarHBondContact O-N 2.92Å; V153-L156 WeakPolarHBondContact O-CB 3.32Å; V153-L156 PolarHBondContact O-N 3.31Å; V153-Y157 WeakPolarHBondContact O-CB 3.21Å; V153-Y157 PolarHBondContact O-N 2.91Å
154A84.2Confident77.3Confident54 Ų5485.6 Ų85.645%0.44645%0.453SS..Hα-helixtrans-71.4-44.8-178.900000111.9G150 S151 L152 L156 Y157 F158G150-A154 WeakPolarHBondContact O-CA 3.2Å; G150-A154 WeakPolarHBondContact O-CB 3.49Å; G150-A154 PolarHBondContact O-N 3.11Å; S151-A154 PolarHBondContact O-N 3.39Å; L152-A154 VanDerWaalsContact C-N 3.31Å; L152-A154 PolarHBondContact O-N 3.4Å; A154-L156 PolarHBondContact O-N 2.84Å; A154-Y157 PolarHBondContact O-N 3.36Å; A154-F158 WeakPolarHBondContact O-CB 3.44Å; A154-F158 PolarHBondContact O-N 3.36Å
155T83.6Confident76.6Confident96 Ų9681.7 Ų81.759%0.58944%0.444SS*.Hα-helixtrans-56.8-43174.9-60.20000110.3S151 S159S151-T155 WeakPolarHBondContact O-CB 3.19Å; S151-T155 PolarHBondContact O-N 3.35Å; S151-T155 PolarHBondContact O-OG1 3.5Å; T155-S159 WeakPolarHBondContact O-CB 3.49Å; T155-S159 PolarHBondContact O-N 3Å
156L74.1Confident76Confident17 Ų1788.6 Ų88.69%0.08947%0.471CS..Hα-helixtrans-70-42.2178.2-168.778.9000112.7F108 G109 Y112 T113 L152 V153 A154 F158 S159 V160F108-L156 HydrophobicContact CD1-CD1 4Å; F108-L156 HydrophobicContact CE1-CD1 4.4Å; G109-L156 WeakPolarHBondContact O-CD2 3.42Å; Y112-L156 VanDerWaalsContact CB-CD1 3.48Å; Y112-L156 HydrophobicContact CD1-CD1 4.43Å; Y112-L156 HydrophobicContact CD1-CD2 3.74Å; Y112-L156 HydrophobicContact CD1-CG 4.49Å; Y112-L156 HydrophobicContact CD2-CD1 4.49Å; Y112-L156 HydrophobicContact CG-CD1 3.85Å; Y112-L156 HydrophobicContact CG-CD2 3.94Å; Y112-L156 HydrophobicContact CG-CG 4.38Å; T113-L156 HydrophobicContact CG2-CD2 4.33Å; L152-L156 VanDerWaalsContact O-CB 3.32Å; L152-L156 WeakPolarHBondContact O-CB 3.47Å; L152-L156 PolarHBondContact O-N 2.97Å; V153-L156 WeakPolarHBondContact O-CB 3.32Å; V153-L156 PolarHBondContact O-N 3.31Å; A154-L156 PolarHBondContact O-N 2.84Å; L156-F158 VanDerWaalsContact C-N 3.35Å; L156-S159 PolarHBondContact O-N 3.29Å; L156-V160 WeakPolarHBondContact O-CB 3.42Å; L156-V160 WeakPolarHBondContact O-CG2 3.49Å; L156-V160 PolarHBondContact O-N 2.83Å
157Y77Confident74.9Confident149 Ų14992 Ų9258%0.58448%0.481SS*.Hα-helixtrans-63-44176.5-175.4-94.8000110.3V153 A154 V160 W161V153-Y157 WeakPolarHBondContact O-CB 3.21Å; V153-Y157 PolarHBondContact O-N 2.91Å; A154-Y157 PolarHBondContact O-N 3.36Å; Y157-V160 PolarHBondContact O-N 3.49Å; Y157-W161 HydrophobicContact CD1-CB 4.45Å; Y157-W161 HydrophobicContact CE1-CB 4.27Å; Y157-W161 HydrophobicContact CE1-CD2 4.41Å; Y157-W161 HydrophobicContact CE1-CG 4.28Å; Y157-W161 WeakPolarHBondContact O-CB 3.42Å; Y157-W161 PolarHBondContact O-N 2.87Å
158F77.6Confident73.7Confident130 Ų13090.3 Ų90.357%0.5748%0.478SS*.Hα-helixtrans-61.6-46.4176-168.7-100.2000111.5A154 L156 V160 W161 V162A154-F158 WeakPolarHBondContact O-CB 3.44Å; A154-F158 PolarHBondContact O-N 3.36Å; L156-F158 VanDerWaalsContact C-N 3.35Å; F158-V160 VanDerWaalsContact C-N 3.34Å; F158-V160 PolarHBondContact O-N 3.13Å; F158-W161 PolarHBondContact O-N 3.27Å; F158-V162 HydrophobicContact CE1-CG2 4.12Å; F158-V162 HydrophobicContact CZ-CG2 4.19Å; F158-V162 WeakPolarHBondContact O-CB 3.39Å; F158-V162 PolarHBondContact O-N 2.8Å
159S70.4Confident73Confident72 Ų7290.9 Ų90.950%0.50349%0.49SS..Hα-helixtrans-58.7-43.2176.2-179.60000112.4T155 L156 S163T155-S159 WeakPolarHBondContact O-CB 3.49Å; T155-S159 PolarHBondContact O-N 3Å; L156-S159 PolarHBondContact O-N 3.29Å; S159-S163 PolarHBondContact O-N 2.67Å
160V70.7Confident71.3Confident24 Ų2497.7 Ų97.715%0.14553%0.529CS..Hα-helixtrans-71.8-40.5177.6169.10000112.3K107 L156 Y157 F158 S163 S164K107-V160 HydrophobicContact CB-CG1 4.48Å; K107-V160 HydrophobicContact CB-CG2 4.27Å; K107-V160 HydrophobicContact CD-CG1 3.54Å; K107-V160 HydrophobicContact CG-CG1 3.75Å; K107-V160 HydrophobicContact CG-CG2 4.39Å; L156-V160 WeakPolarHBondContact O-CB 3.42Å; L156-V160 WeakPolarHBondContact O-CG2 3.49Å; L156-V160 PolarHBondContact O-N 2.83Å; Y157-V160 PolarHBondContact O-N 3.49Å; F158-V160 VanDerWaalsContact C-N 3.34Å; F158-V160 PolarHBondContact O-N 3.13Å; V160-S163 PolarHBondContact O-N 2.8Å; V160-S164 PolarHBondContact O-N 2.85Å; V160-S164 PolarHBondContact O-OG 3.09Å
161W68.8Low70.5Confident135 Ų135101 Ų10151%0.51154%0.538SS..Hα-helixtrans-69-40.1-176.9-171.146000111.3Y157 F158 S163 S164 N165Y157-W161 HydrophobicContact CD1-CB 4.45Å; Y157-W161 HydrophobicContact CE1-CB 4.27Å; Y157-W161 HydrophobicContact CE1-CD2 4.41Å; Y157-W161 HydrophobicContact CE1-CG 4.28Å; Y157-W161 WeakPolarHBondContact O-CB 3.42Å; Y157-W161 PolarHBondContact O-N 2.87Å; F158-W161 PolarHBondContact O-N 3.27Å; W161-S163 VanDerWaalsContact C-N 3.31Å; W161-S163 PolarHBondContact O-N 2.9Å; W161-S164 PolarHBondContact O-N 3.09Å; W161-S164 VanDerWaalsContact O-N 3.13Å; W161-N165 PolarHBondContact NE1-ND2 3.29Å; W161-N165 VanDerWaalsContact NE1-ND2 3.14Å; W161-N165 PolarHBondContact O-N 2.76Å; W161-N165 PolarHBondContact O-ND2 2.77Å
162V65.9Low69.6Low82 Ų82103 Ų10350%0.49754%0.544SS..Hα-helixtrans-58-42.6172144.90000111.7F158 S164 N165 F166F158-V162 HydrophobicContact CE1-CG2 4.12Å; F158-V162 HydrophobicContact CZ-CG2 4.19Å; F158-V162 WeakPolarHBondContact O-CB 3.39Å; F158-V162 PolarHBondContact O-N 2.8Å; V162-S164 PolarHBondContact O-N 3Å; V162-N165 PolarHBondContact O-N 2.89Å; V162-F166 PolarHBondContact O-N 3.26Å
163S62.5Low68.9Low94 Ų94106.7 Ų106.766%0.65756%0.563SS**Hα-helixtrans-65.3-26.8179.2-1290000113.2S159 V160 W161S159-S163 PolarHBondContact O-N 2.67Å; V160-S163 PolarHBondContact O-N 2.8Å; W161-S163 VanDerWaalsContact C-N 3.31Å; W161-S163 PolarHBondContact O-N 2.9Å
164S60.1Low68.1Low66 Ų66109.6 Ų109.646%0.46258%0.576SS.*Hα-helixtrans-81.4-33.6-177.8-47.60000112.7V160 W161 V162V160-S164 PolarHBondContact O-N 2.85Å; V160-S164 PolarHBondContact O-OG 3.09Å; W161-S164 PolarHBondContact O-N 3.09Å; W161-S164 VanDerWaalsContact O-N 3.13Å; V162-S164 PolarHBondContact O-N 3Å
165N61.4Low67.1Low98 Ų98113.1 Ų113.152%0.52458%0.584SS.*Hα-helixtrans-87.9-13.6-175.4-69.5-80.3000113.6W161 V162 K167 P168W161-N165 PolarHBondContact NE1-ND2 3.29Å; W161-N165 VanDerWaalsContact NE1-ND2 3.14Å; W161-N165 PolarHBondContact O-N 2.76Å; W161-N165 PolarHBondContact O-ND2 2.77Å; V162-N165 PolarHBondContact O-N 2.89Å; N165-K167 VanDerWaalsContact C-N 3.27Å; N165-K167 PolarHBondContact O-N 2.83Å; N165-P168 WeakPolarHBondContact O-CD 3.08Å
166F67Low66Low191 Ų191114.3 Ų114.384%0.83858%0.584SS**THydrogen-bonded Turntrans-869.7179.2-163.4-102.9000113.9V162V162-F166 PolarHBondContact O-N 3.26Å
167K58.4Low65.4Low173 Ų173121.2 Ų121.275%0.75262%0.619SS**  trans-121.865.5173.6-159.2170.4-179160.10113.7N165N165-K167 VanDerWaalsContact C-N 3.27Å; N165-K167 PolarHBondContact O-N 2.83Å
168P61.9Low64.5Low91 Ų91119.1 Ų119.159%0.59162%0.622SS**SBendtrans-115.1126.414533.2-24.9000109.3N165N165-P168 WeakPolarHBondContact O-CD 3.08Å
169I64.7Low63.4Low166 Ų166118.2 Ų118.285%0.85163%0.626SS**  trans99.249.3167.4-52.6140.4000116.6
170L49.1Very low62.8Low226 Ų226122.4 Ų122.4100%1.18364%0.637SS**  trans-143.90136.4-152.5101.4000108.3

Retrieved 170 of 170 residues in 376.2 ms (Link to these results)