A0A060YDJ7_ONCMY Loading...

Translocon Sec61/SecY plug domain-containing protein

AlphaFold DB , UniProt , Accession A0A060YDJ7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 476 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
1M36Very low53.2Low247 Ų24799.5 Ų99.5100%1.21753%0.531SS*.  082.20-79.9-175.1-94.600108I3M1-I3 PolarHBondContact O-N 2.9Å
2G39.7Very low53.8Low72 Ų72101.7 Ų101.774%0.74253%0.533SS*.  trans-75.6122.2171.200000107.5K4G2-K4 PolarHBondContact O-N 3.48Å
3I40.4Very low54.2Low148 Ų14896.1 Ų96.176%0.75951%0.507SS*.  trans-50.8113.1166.2-63.5166.3000105.1M1 F5 V8M1-I3 PolarHBondContact O-N 2.9Å; I3-F5 PolarHBondContact O-N 3.33Å; I3-V8 HydrophobicContact CG2-CG2 4.12Å
4K55.3Low54.5Low114 Ų11495.4 Ų95.450%0.49652%0.522SS..  trans-59.2106.3177-78.7-176.5175.3-172.70105.5G2 L6 E7G2-K4 PolarHBondContact O-N 3.48Å; K4-L6 PolarHBondContact O-N 3.48Å; K4-E7 HydrophobicContact CB-CB 4.37Å; K4-E7 HydrophobicContact CB-CG 3.97Å; K4-E7 WeakPolarHBondContact O-CB 3.37Å; K4-E7 PolarHBondContact O-N 3.35Å
5F55.7Low55.2Low104 Ų10497.1 Ų97.146%0.45654%0.536SS..Hα-helixtrans-48.9-31174.4-175.7-106.6000111I3 E7 V8 I9 I100 F119I3-F5 PolarHBondContact O-N 3.33Å; F5-E7 VanDerWaalsContact C-N 3.32Å; F5-E7 PolarHBondContact O-N 3.48Å; F5-V8 PolarHBondContact O-N 3.23Å; F5-I9 HydrophobicContact CD1-CD1 3.76Å; F5-I9 HydrophobicContact CE1-CD1 3.53Å; F5-I9 HydrophobicContact CZ-CD1 4.17Å; F5-I9 WeakPolarHBondContact O-CG1 3.36Å; F5-I9 PolarHBondContact O-N 3.29Å; F5-I100 HydrophobicContact CD1-CD1 4.4Å; F5-F119 HydrophobicContact CE1-CE2 4.09Å; F5-F119 HydrophobicContact CE1-CZ 4.01Å; F5-F119 HydrophobicContact CZ-CZ 4.01Å
6L55.6Low56.1Low14 Ų1493.1 Ų93.17%0.07351%0.513CS..Hα-helixtrans-60.3-27.9172.3-65.4161.7000115K4 K10 L111K4-L6 PolarHBondContact O-N 3.48Å; L6-K10 PolarHBondContact O-N 3.44Å; L6-L111 HydrophobicContact CB-CD1 4.37Å; L6-L111 HydrophobicContact CD2-CB 3.92Å
7E57.4Low57.1Low107 Ų10791.4 Ų91.450%0.551%0.507SS..Hα-helixtrans-82-27.7177.6-71.1-169.3148.700113.3K4 F5 I9 K10K4-E7 HydrophobicContact CB-CB 4.37Å; K4-E7 HydrophobicContact CB-CG 3.97Å; K4-E7 WeakPolarHBondContact O-CB 3.37Å; K4-E7 PolarHBondContact O-N 3.35Å; F5-E7 VanDerWaalsContact C-N 3.32Å; F5-E7 PolarHBondContact O-N 3.48Å; E7-I9 PolarHBondContact O-N 2.91Å; E7-K10 IonicContact OE1-NZ 3.46Å
8V60.9Low57.9Low85 Ų8593.2 Ų93.252%0.51551%0.511SS..Hα-helixtrans-69.1-27.3172.5179.10000111.1I3 F5 P11I3-V8 HydrophobicContact CG2-CG2 4.12Å; F5-V8 PolarHBondContact O-N 3.23Å; V8-P11 WeakPolarHBondContact O-CD 3.26Å
9I61.6Low58.9Low16 Ų1690.2 Ų90.28%0.08249%0.494CS..Hα-helixtrans-86.1-20.3-178.4-61.9173000112.5F5 E7 P11 F12 C13 A115 L118F5-I9 HydrophobicContact CD1-CD1 3.76Å; F5-I9 HydrophobicContact CE1-CD1 3.53Å; F5-I9 HydrophobicContact CZ-CD1 4.17Å; F5-I9 WeakPolarHBondContact O-CG1 3.36Å; F5-I9 PolarHBondContact O-N 3.29Å; E7-I9 PolarHBondContact O-N 2.91Å; I9-P11 VanDerWaalsContact C-CD 3.49Å; I9-F12 PolarHBondContact O-N 3.41Å; I9-C13 PolarHBondContact O-N 2.91Å; I9-A115 HydrophobicContact CD1-CB 3.94Å; I9-A115 HydrophobicContact CG2-CB 4.21Å; I9-L118 HydrophobicContact CG2-CD1 4.18Å
10K61.9Low59.7Low101 Ų10193.4 Ų93.444%0.43951%0.505SS..Hα-helixtrans-46.3-48.1177.9-89.1178.8178.9167.10115.4L6 E7 F12 C13 L111L6-K10 PolarHBondContact O-N 3.44Å; E7-K10 IonicContact OE1-NZ 3.46Å; K10-F12 VanDerWaalsContact C-N 3.27Å; K10-F12 PolarHBondContact O-N 3.3Å; K10-C13 PolarHBondContact O-N 2.87Å; K10-L111 HydrophobicContact CG-CD2 3.74Å
11P61.3Low60.4Low86 Ų8695.8 Ų95.856%0.55851%0.511SS*.Hα-helixtrans-65.2-31.118023.9-33.7000112.7V8 I9V8-P11 WeakPolarHBondContact O-CD 3.26Å; I9-P11 VanDerWaalsContact C-CD 3.49Å
12F60.4Low62.3Low126 Ų12686 Ų8655%0.55347%0.466SS*.Hα-helixtrans-77.9-34177.5-65.3-79.9000112.4I9 K10 A14 V15 L16 L118I9-F12 PolarHBondContact O-N 3.41Å; K10-F12 VanDerWaalsContact C-N 3.27Å; K10-F12 PolarHBondContact O-N 3.3Å; F12-A14 PolarHBondContact O-N 3.4Å; F12-V15 PolarHBondContact O-N 2.81Å; F12-V15 VanDerWaalsContact O-N 3.13Å; F12-L16 WeakPolarHBondContact O-CG 3.48Å; F12-L118 HydrophobicContact CB-CD1 3.38Å; F12-L118 HydrophobicContact CG-CD1 4.24Å
13C58.6Low63.8Low29 Ų2991.5 Ų91.520%0.19647%0.472CS..Hα-helixtrans-59.2-28.5174.1-77.20000113.3I9 K10 V15 L16I9-C13 PolarHBondContact O-N 2.91Å; K10-C13 PolarHBondContact O-N 2.87Å; C13-V15 VanDerWaalsContact C-N 3.28Å; C13-V15 PolarHBondContact O-N 3.32Å; C13-L16 PolarHBondContact O-N 3.14Å
14A58.8Low65.4Low87 Ų8794.6 Ų94.672%0.71948%0.475SS*.THydrogen-bonded Turntrans-71.6-20.8178.800000113.9F12F12-A14 PolarHBondContact O-N 3.4Å
15V64.9Low66.3Low120 Ų12099.3 Ų99.373%0.72750%0.495SS*.THydrogen-bonded Turntrans-91.3-15.8-180-177.50000111.4F12 C13F12-V15 PolarHBondContact O-N 2.81Å; F12-V15 VanDerWaalsContact O-N 3.13Å; C13-V15 VanDerWaalsContact C-N 3.28Å; C13-V15 PolarHBondContact O-N 3.32Å
16L70Confident67.3Low33 Ų3395.6 Ų95.617%0.17348%0.48CS..SBendtrans-75.9132.8-176.6-55.7-175.4000110.5F12 C13 E18 L118 M121F12-L16 WeakPolarHBondContact O-CG 3.48Å; C13-L16 PolarHBondContact O-N 3.14Å; L16-E18 PolarHBondContact O-N 2.93Å; L16-E18 VanDerWaalsContact O-N 3.1Å; L16-L118 HydrophobicContact CD1-CB 3.94Å; L16-L118 HydrophobicContact CD1-CD1 4.29Å; L16-L118 HydrophobicContact CD1-CG 4.49Å; L16-M121 HydrophobicContact CB-CE 4.44Å; L16-M121 HydrophobicContact CD1-CE 3.75Å; L16-M121 HydrophobicContact CD2-CE 3.2Å; L16-M121 HydrophobicContact CD2-SD 4.28Å; L16-M121 HydrophobicContact CG-CE 3.93Å
17P72.1Confident68.6Low64 Ų64100.8 Ų100.842%0.41650%0.503SS..  trans-64.1116.1171.925.9-31.5000108K117P17-K117 PolarHBondContact O-NZ 2.76Å
18E71.4Confident69.6Low124 Ų12496.9 Ų96.958%0.57949%0.485SS*.  trans-114.5134.3-178.9-170.3177.2177.100110.1L16 E167 K171L16-E18 PolarHBondContact O-N 2.93Å; L16-E18 VanDerWaalsContact O-N 3.1Å; E18-E167 VanDerWaalsContact CG-OE1 3.31Å; E18-E167 WeakPolarHBondContact CG-OE1 3.42Å; E18-K171 VanDerWaalsContact CD-NZ 3.34Å; E18-K171 IonicContact OE1-NZ 2.77Å; E18-K171 PolarHBondContact OE1-NZ 3.18Å
19I77.5Confident70.7Confident37 Ų37102.9 Ų102.919%0.1950%0.498CS..PPolyproline II helixtrans-76.4127177.1-65.1177.6000108.6K21 L164 E167 L168 K171 Y173I19-K21 PolarHBondContact O-N 3.32Å; I19-L164 HydrophobicContact CD1-CB 4.32Å; I19-L164 HydrophobicContact CD1-CD2 4.35Å; I19-L164 WeakPolarHBondContact CD1-O 3.16Å; I19-L164 HydrophobicContact CG1-CD2 4.23Å; I19-E167 HydrophobicContact CB-CG 4.39Å; I19-E167 HydrophobicContact CD1-CB 4.23Å; I19-E167 HydrophobicContact CD1-CG 4.47Å; I19-E167 PolarHBondContact N-OE1 3.07Å; I19-L168 HydrophobicContact CD1-CB 3.71Å; I19-K171 HydrophobicContact CB-CD 4.13Å; I19-K171 HydrophobicContact CG2-CD 4.29Å; I19-K171 WeakPolarHBondContact O-CD 3.38Å; I19-K171 WeakPolarHBondContact O-CE 3.46Å; I19-K171 PolarHBondContact O-NZ 3.45Å; I19-Y173 HydrophobicContact CG2-CE2 4Å
20Q74.5Confident71.8Confident154 Ų154106.6 Ų106.672%0.7252%0.515SS*.PPolyproline II helixtrans-68.7135.2178.4-70.5-176.4-8.400111Y173Q20-Y173 WeakPolarHBondContact O-CE2 3.19Å; Q20-Y173 PolarHBondContact O-OH 3.14Å
21K75.3Confident72.9Confident143 Ų143103.5 Ų103.562%0.62250%0.502SS*.PPolyproline II helixtrans-62.1140.2172.1-68.9-178.3-178.3178.20108.6I19 E23 K171I19-K21 PolarHBondContact O-N 3.32Å; K21-E23 PolarHBondContact O-N 3Å; K21-K171 HydrophobicContact CG-CD 4.1Å; K21-K171 HydrophobicContact CG-CG 4.26Å
22P74.1Confident74Confident41 Ų41102.1 Ų102.127%0.26649%0.492SS..PPolyproline II helixtrans-63.9129.8-177.426.5-33.4000110.6R24 I26 K171 Y173P22-R24 PolarHBondContact O-N 3Å; P22-I26 HydrophobicContact CB-CD1 3.67Å; P22-I26 HydrophobicContact CB-CG1 3.86Å; P22-I26 HydrophobicContact CG-CD1 3.77Å; P22-I26 HydrophobicContact CG-CG1 4.2Å; P22-K171 WeakPolarHBondContact CD-O 3.4Å; P22-Y173 HydrophobicContact CB-CE1 4.19Å; P22-Y173 HydrophobicContact CB-CE2 4.45Å; P22-Y173 HydrophobicContact CG-CE2 4.35Å
23E71.7Confident75.4Confident189 Ų189100.9 Ų100.988%0.88349%0.49SS*.SBendtrans-67.8-22.1179.3-63.5-174.5163.300112.4K21K21-E23 PolarHBondContact O-N 3Å
24R75.1Confident76.8Confident213 Ų213104.2 Ų104.280%0.80450%0.499SS*.SBendtrans-121.8150.7178.4-64.2-177.4179.4-175.9-0.2110.1P22 I26P22-R24 PolarHBondContact O-N 3Å; R24-I26 PolarHBondContact O-N 2.97Å; R24-I26 VanDerWaalsContact O-N 3.08Å
25K72.8Confident78.1Confident212 Ų212100.6 Ų100.692%0.92247%0.468SS*.  trans-63.7112.6169.1-69.8-172.7178.1-1760108.5
26I78.4Confident79.3Confident27 Ų2797.5 Ų97.514%0.13846%0.455CS..  trans-65.4137.3178.6-61.8171.2000108.9P22 R24 E30 K31 Y173P22-I26 HydrophobicContact CB-CD1 3.67Å; P22-I26 HydrophobicContact CB-CG1 3.86Å; P22-I26 HydrophobicContact CG-CD1 3.77Å; P22-I26 HydrophobicContact CG-CG1 4.2Å; R24-I26 PolarHBondContact O-N 2.97Å; R24-I26 VanDerWaalsContact O-N 3.08Å; I26-E30 HydrophobicContact CG2-CB 3.46Å; I26-E30 VanDerWaalsContact CG2-CB 3.46Å; I26-E30 WeakPolarHBondContact CG2-OE2 3.31Å; I26-K31 HydrophobicContact CB-CG 4.17Å; I26-K31 HydrophobicContact CG2-CG 3.75Å; I26-Y173 HydrophobicContact CD1-CD1 3.23Å; I26-Y173 HydrophobicContact CD1-CE1 3.64Å; I26-Y173 HydrophobicContact CD1-CG 3.71Å
27Q81.7Confident80.2Confident122 Ų12299.5 Ų99.557%0.5747%0.465SS*.  trans-68.6150.9177.9-64.4-171.28.400110.8R29 E30 K31Q27-R29 VanDerWaalsContact C-N 3.26Å; Q27-R29 PolarHBondContact O-N 2.79Å; Q27-E30 HydrophobicContact CB-CG 4.38Å; Q27-E30 PolarHBondContact N-OE2 3.38Å; Q27-E30 WeakPolarHBondContact O-CB 3.48Å; Q27-E30 PolarHBondContact O-N 2.78Å; Q27-K31 PolarHBondContact O-N 3.19Å
28F79.5Confident81Confident26 Ų2696.5 Ų96.511%0.11445%0.446CS..Hα-helixtrans-53.5-42-180-177-95.1000113.8E30 K31 V32 L175 F461 E464 M468F28-E30 VanDerWaalsContact C-N 3.33Å; F28-E30 PolarHBondContact O-N 2.81Å; F28-K31 PolarHBondContact O-N 2.82Å; F28-V32 HydrophobicContact CD1-CG2 4.15Å; F28-V32 HydrophobicContact CE1-CG2 3.55Å; F28-V32 HydrophobicContact CE2-CG2 4.48Å; F28-V32 HydrophobicContact CZ-CG2 3.7Å; F28-V32 WeakPolarHBondContact O-CG2 3.28Å; F28-V32 PolarHBondContact O-N 3.37Å; F28-L175 HydrophobicContact CD2-CD2 4.3Å; F28-L175 HydrophobicContact CE2-CD1 4.35Å; F28-L175 HydrophobicContact CE2-CD2 3.67Å; F28-L175 HydrophobicContact CZ-CD1 4.29Å; F28-L175 HydrophobicContact CZ-CD2 4.4Å; F28-F461 HydrophobicContact CE1-CD2 4.04Å; F28-F461 HydrophobicContact CE1-CE1 4.43Å; F28-F461 AromaticContact CE1-CE2 3.47Å; F28-F461 HydrophobicContact CE1-CE2 3.47Å; F28-F461 VanDerWaalsContact CE1-CE2 3.47Å; F28-F461 AromaticContact CE1-CZ 3.68Å; F28-F461 HydrophobicContact CE1-CZ 3.68Å; F28-F461 HydrophobicContact CE2-CD2 4.24Å; F28-F461 HydrophobicContact CE2-CE2 4.49Å; F28-F461 HydrophobicContact CE2-CG 4.48Å; F28-F461 HydrophobicContact CZ-CD1 4.33Å; F28-F461 AromaticContact CZ-CD2 3.3Å; F28-F461 HydrophobicContact CZ-CD2 3.3Å; F28-F461 HydrophobicContact CZ-CE1 4.31Å; F28-F461 AromaticContact CZ-CE2 3.24Å; F28-F461 HydrophobicContact CZ-CE2 3.24Å; F28-F461 AromaticContact CZ-CG 3.8Å; F28-F461 HydrophobicContact CZ-CG 3.8Å; F28-F461 AromaticContact CZ-CZ 3.78Å; F28-F461 HydrophobicContact CZ-CZ 3.78Å; F28-E464 HydrophobicContact CD2-CB 3.98Å; F28-E464 VanDerWaalsContact CD2-OE2 3.25Å; F28-E464 WeakPolarHBondContact CD2-OE2 3.4Å; F28-E464 HydrophobicContact CE2-CB 4.13Å; F28-E464 WeakPolarHBondContact CE2-OE2 3.48Å; F28-M468 HydrophobicContact CB-CE 4.04Å; F28-M468 HydrophobicContact CB-SD 3.29Å; F28-M468 WeakPolarHBondContact CB-SD 3.43Å; F28-M468 HydrophobicContact CG-SD 4.11Å
29R82.8Confident81.8Confident211 Ų21192.4 Ų92.480%0.79643%0.427SS*.Hα-helixtrans-61.3-40.7177.1-69.1-175.6176.2-175.8-1.1112.5Q27 L33Q27-R29 VanDerWaalsContact C-N 3.26Å; Q27-R29 PolarHBondContact O-N 2.79Å; R29-L33 WeakPolarHBondContact O-CB 3.31Å; R29-L33 PolarHBondContact O-N 3.38Å; R29-L33 VanDerWaalsContact O-N 3.1Å
30E84.6Confident82.4Confident94 Ų9497.4 Ų97.444%0.43945%0.448SS..Hα-helixtrans-67.2-40.7176.5-67.8172.3163.800110.6I26 Q27 F28 V32 L33 W34I26-E30 HydrophobicContact CG2-CB 3.46Å; I26-E30 VanDerWaalsContact CG2-CB 3.46Å; I26-E30 WeakPolarHBondContact CG2-OE2 3.31Å; Q27-E30 HydrophobicContact CB-CG 4.38Å; Q27-E30 PolarHBondContact N-OE2 3.38Å; Q27-E30 WeakPolarHBondContact O-CB 3.48Å; Q27-E30 PolarHBondContact O-N 2.78Å; F28-E30 VanDerWaalsContact C-N 3.33Å; F28-E30 PolarHBondContact O-N 2.81Å; E30-V32 PolarHBondContact O-N 3.38Å; E30-L33 PolarHBondContact O-N 3.4Å; E30-W34 PolarHBondContact O-N 3.38Å
31K84.4Confident83Confident36 Ų3693.2 Ų93.216%0.15743%0.43CS..Hα-helixtrans-60.2-43.7176.2-66.3-172.4-175.6178.60112.9I26 Q27 F28 L33 W34 T35 Y173 L175 E464I26-K31 HydrophobicContact CB-CG 4.17Å; I26-K31 HydrophobicContact CG2-CG 3.75Å; Q27-K31 PolarHBondContact O-N 3.19Å; F28-K31 PolarHBondContact O-N 2.82Å; K31-L33 VanDerWaalsContact C-N 3.32Å; K31-L33 PolarHBondContact O-N 2.97Å; K31-W34 PolarHBondContact O-N 3.37Å; K31-T35 WeakPolarHBondContact O-CB 3.33Å; K31-T35 PolarHBondContact O-N 2.91Å; K31-T35 PolarHBondContact O-OG1 3.48Å; K31-Y173 VanDerWaalsContact CA-O 3.24Å; K31-Y173 WeakPolarHBondContact CA-O 3.18Å; K31-L175 HydrophobicContact CB-CD2 4.4Å; K31-L175 HydrophobicContact CB-CG 4.3Å; K31-L175 HydrophobicContact CD-CD2 4.29Å; K31-E464 IonicContact NZ-OE1 2.96Å; K31-E464 PolarHBondContact NZ-OE1 2.8Å; K31-E464 IonicContact NZ-OE2 2.94Å; K31-E464 PolarHBondContact NZ-OE2 3.24Å
32V85.8Confident83.6Confident57 Ų5786.4 Ų86.435%0.34540%0.4SS..Hα-helixtrans-61-44.4175.91740000110.4F28 E30 T35 A36 L175 F461F28-V32 HydrophobicContact CD1-CG2 4.15Å; F28-V32 HydrophobicContact CE1-CG2 3.55Å; F28-V32 HydrophobicContact CE2-CG2 4.48Å; F28-V32 HydrophobicContact CZ-CG2 3.7Å; F28-V32 WeakPolarHBondContact O-CG2 3.28Å; F28-V32 PolarHBondContact O-N 3.37Å; E30-V32 PolarHBondContact O-N 3.38Å; V32-T35 WeakPolarHBondContact O-CB 3.43Å; V32-T35 PolarHBondContact O-N 2.71Å; V32-A36 PolarHBondContact O-N 3.4Å; V32-L175 HydrophobicContact CG2-CD1 3.64Å; V32-F461 HydrophobicContact CG2-CE2 4.48Å
33L88.4Confident84.1Confident100 Ų10087.3 Ų87.352%0.52440%0.402SS..Hα-helixtrans-63.4-45.1179.5-176.4146.4000111.8R29 E30 K31 T35 A36 I37R29-L33 WeakPolarHBondContact O-CB 3.31Å; R29-L33 PolarHBondContact O-N 3.38Å; R29-L33 VanDerWaalsContact O-N 3.1Å; E30-L33 PolarHBondContact O-N 3.4Å; K31-L33 VanDerWaalsContact C-N 3.32Å; K31-L33 PolarHBondContact O-N 2.97Å; L33-T35 VanDerWaalsContact C-N 3.34Å; L33-T35 PolarHBondContact O-N 3.1Å; L33-A36 PolarHBondContact O-N 2.92Å; L33-I37 HydrophobicContact CD2-CD1 3.47Å; L33-I37 VanDerWaalsContact CD2-CD1 3.47Å; L33-I37 HydrophobicContact CD2-CG1 4.36Å; L33-I37 HydrophobicContact CG-CD1 4.34Å; L33-I37 WeakPolarHBondContact O-CG1 3.38Å; L33-I37 PolarHBondContact O-N 2.96Å
34W88.4Confident84.9Confident99 Ų9981.2 Ų81.238%0.37538%0.378SS..Hα-helixtrans-60.7-43.5174.1-80.3111.8000112E30 K31 A36 I37 T38 L168 Y173E30-W34 PolarHBondContact O-N 3.38Å; K31-W34 PolarHBondContact O-N 3.37Å; W34-A36 VanDerWaalsContact C-N 3.31Å; W34-A36 PolarHBondContact O-N 2.96Å; W34-I37 PolarHBondContact O-N 3.18Å; W34-T38 WeakPolarHBondContact O-CG2 3.44Å; W34-T38 PolarHBondContact O-N 2.95Å; W34-T38 PolarHBondContact O-OG1 3.18Å; W34-L168 HydrophobicContact CE3-CD1 4.32Å; W34-L168 HydrophobicContact CE3-CD2 4.33Å; W34-L168 HydrophobicContact CZ3-CD1 4.37Å; W34-Y173 WeakPolarHBondContact CB-O 3.49Å
35T87.3Confident85.3Confident11 Ų1172 Ų727%0.06735%0.346CS..Hα-helixtrans-59.4-42.3176.4-52.40000111.3K31 V32 L33 T38 L39 G174 L175 L181K31-T35 WeakPolarHBondContact O-CB 3.33Å; K31-T35 PolarHBondContact O-N 2.91Å; K31-T35 PolarHBondContact O-OG1 3.48Å; V32-T35 WeakPolarHBondContact O-CB 3.43Å; V32-T35 PolarHBondContact O-N 2.71Å; L33-T35 VanDerWaalsContact C-N 3.34Å; L33-T35 PolarHBondContact O-N 3.1Å; T35-T38 WeakPolarHBondContact CA-OG1 3.29Å; T35-T38 PolarHBondContact O-OG1 2.85Å; T35-L39 WeakPolarHBondContact O-CB 3.47Å; T35-L39 WeakPolarHBondContact O-CG 3.49Å; T35-L39 PolarHBondContact O-N 3.41Å; T35-L39 VanDerWaalsContact O-N 3.08Å; T35-G174 WeakPolarHBondContact OG1-CA 3.21Å; T35-L175 PolarHBondContact OG1-N 3.29Å; T35-L175 VanDerWaalsContact OG1-N 3.07Å; T35-L181 HydrophobicContact CG2-CD1 4.5Å; T35-L181 HydrophobicContact CG2-CD2 3.49Å; T35-L181 VanDerWaalsContact CG2-CD2 3.49Å
36A88.7Confident85.6Confident55 Ų5562 Ų6246%0.45530%0.302SS..Hα-helixtrans-66.7-41.6176.900000112.6V32 L33 W34 L39 F40V32-A36 PolarHBondContact O-N 3.4Å; L33-A36 PolarHBondContact O-N 2.92Å; W34-A36 VanDerWaalsContact C-N 3.31Å; W34-A36 PolarHBondContact O-N 2.96Å; A36-L39 PolarHBondContact O-N 3.4Å; A36-F40 PolarHBondContact O-N 3.08Å
37I90.4Very high85.7Confident74 Ų7466.4 Ų66.438%0.37932%0.323SS..Hα-helixtrans-62.3-46.7176.5-69.3172.6000110.5L33 W34 L39 F40 I41L33-I37 HydrophobicContact CD2-CD1 3.47Å; L33-I37 VanDerWaalsContact CD2-CD1 3.47Å; L33-I37 HydrophobicContact CD2-CG1 4.36Å; L33-I37 HydrophobicContact CG-CD1 4.34Å; L33-I37 WeakPolarHBondContact O-CG1 3.38Å; L33-I37 PolarHBondContact O-N 2.96Å; W34-I37 PolarHBondContact O-N 3.18Å; I37-L39 VanDerWaalsContact C-N 3.28Å; I37-L39 PolarHBondContact O-N 2.91Å; I37-F40 PolarHBondContact O-N 3.47Å; I37-I41 HydrophobicContact CG2-CD1 3.96Å; I37-I41 WeakPolarHBondContact O-CG1 3.31Å; I37-I41 PolarHBondContact O-N 2.96Å
38T88.7Confident85.8Confident2 Ų264.2 Ų64.21%0.01231%0.314CS..Hα-helixtrans-62-38.1178.852.10000112.4W34 T35 F42 L165 L168 L169W34-T38 WeakPolarHBondContact O-CG2 3.44Å; W34-T38 PolarHBondContact O-N 2.95Å; W34-T38 PolarHBondContact O-OG1 3.18Å; T35-T38 WeakPolarHBondContact CA-OG1 3.29Å; T35-T38 PolarHBondContact O-OG1 2.85Å; T38-F42 WeakPolarHBondContact O-CB 3.4Å; T38-F42 PolarHBondContact O-N 3.43Å; T38-L165 HydrophobicContact CG2-CD2 3.79Å; T38-L168 HydrophobicContact CG2-CD2 3.8Å; T38-L169 HydrophobicContact CG2-CD2 4.14Å; T38-L169 HydrophobicContact CG2-CG 4.32Å
39L87.6Confident85.8Confident37 Ų3767.3 Ų67.319%0.19434%0.337CS..Hα-helixtrans-65.4-42.3175.8-83.9175.4000112.3T35 A36 I37 F42 L43 L181 T185T35-L39 WeakPolarHBondContact O-CB 3.47Å; T35-L39 WeakPolarHBondContact O-CG 3.49Å; T35-L39 PolarHBondContact O-N 3.41Å; T35-L39 VanDerWaalsContact O-N 3.08Å; A36-L39 PolarHBondContact O-N 3.4Å; I37-L39 VanDerWaalsContact C-N 3.28Å; I37-L39 PolarHBondContact O-N 2.91Å; L39-F42 WeakPolarHBondContact O-CB 3.35Å; L39-F42 PolarHBondContact O-N 3.16Å; L39-L43 WeakPolarHBondContact O-CB 3.31Å; L39-L43 WeakPolarHBondContact O-CG 3.27Å; L39-L43 PolarHBondContact O-N 3.15Å; L39-L181 HydrophobicContact CD1-CD1 4.1Å; L39-L181 HydrophobicContact CD1-CD2 4.04Å; L39-L181 HydrophobicContact CD1-CG 4.18Å; L39-L181 HydrophobicContact CD2-CD1 4.33Å; L39-L181 HydrophobicContact CD2-CD2 3.85Å; L39-L181 HydrophobicContact CD2-CG 3.67Å; L39-L181 HydrophobicContact CG-CD2 3.72Å; L39-L181 HydrophobicContact CG-CG 4.04Å; L39-T185 HydrophobicContact CD2-CG2 4.14Å; L39-T185 WeakPolarHBondContact CD2-OG1 3.49Å
40F89.3Confident85.6Confident142 Ų14257.7 Ų57.762%0.62330%0.301SS*.Hα-helixtrans-63.7-43.7178.7-172.5-98.5000111.5A36 I37 F42 L43 V44A36-F40 PolarHBondContact O-N 3.08Å; I37-F40 PolarHBondContact O-N 3.47Å; F40-F42 VanDerWaalsContact C-N 3.33Å; F40-F42 PolarHBondContact O-N 2.81Å; F40-L43 PolarHBondContact O-N 2.98Å; F40-V44 HydrophobicContact CD1-CG2 4.13Å; F40-V44 HydrophobicContact CE1-CG2 3.76Å; F40-V44 HydrophobicContact CZ-CG2 3.97Å; F40-V44 VanDerWaalsContact O-CG2 3.32Å; F40-V44 WeakPolarHBondContact O-CG2 3.34Å; F40-V44 PolarHBondContact O-N 3.38Å
41I89.1Confident85Confident66 Ų6659.1 Ų59.134%0.33831%0.306SS..Hα-helixtrans-59.3-46.8174.9-64.7167.6000110.2I37 L43 V44 C45 L165I37-I41 HydrophobicContact CG2-CD1 3.96Å; I37-I41 WeakPolarHBondContact O-CG1 3.31Å; I37-I41 PolarHBondContact O-N 2.96Å; I41-L43 PolarHBondContact O-N 3.33Å; I41-V44 PolarHBondContact O-N 2.87Å; I41-C45 PolarHBondContact O-N 2.89Å; I41-C45 PolarHBondContact O-SG 3.23Å; I41-L165 HydrophobicContact CB-CD1 4.38Å; I41-L165 HydrophobicContact CD1-CD2 4.31Å; I41-L165 HydrophobicContact CG2-CD1 3.91Å
42F86Confident84.2Confident1 Ų158.5 Ų58.50%0.00431%0.31CS..Hα-helixtrans-58.3-47.9177.9178.1-91.7000112.3T38 L39 F40 V44 C45 C46 A70 M77 F182T38-F42 WeakPolarHBondContact O-CB 3.4Å; T38-F42 PolarHBondContact O-N 3.43Å; L39-F42 WeakPolarHBondContact O-CB 3.35Å; L39-F42 PolarHBondContact O-N 3.16Å; F40-F42 VanDerWaalsContact C-N 3.33Å; F40-F42 PolarHBondContact O-N 2.81Å; F42-V44 PolarHBondContact O-N 3.31Å; F42-C45 WeakPolarHBondContact O-CB 3.4Å; F42-C45 PolarHBondContact O-N 3.33Å; F42-C46 VanDerWaalsContact CE1-SG 3.6Å; F42-C46 PolarHBondContact O-N 3.37Å; F42-C46 PolarHBondContact O-SG 3.42Å; F42-C46 VanDerWaalsContact O-SG 3.42Å; F42-A70 HydrophobicContact CZ-CB 4.04Å; F42-M77 HydrophobicContact CD2-CE 3.45Å; F42-M77 VanDerWaalsContact CD2-CE 3.45Å; F42-M77 HydrophobicContact CE2-CE 3.09Å; F42-M77 HydrophobicContact CZ-CE 3.9Å; F42-F182 HydrophobicContact CB-CD1 3.99Å; F42-F182 HydrophobicContact CB-CE1 3.81Å; F42-F182 HydrophobicContact CD1-CD1 4.01Å; F42-F182 HydrophobicContact CD2-CB 4.19Å; F42-F182 AromaticContact CD2-CD1 3.43Å; F42-F182 HydrophobicContact CD2-CD1 3.43Å; F42-F182 VanDerWaalsContact CD2-CD1 3.43Å; F42-F182 HydrophobicContact CD2-CD2 4.11Å; F42-F182 AromaticContact CD2-CE1 3.75Å; F42-F182 HydrophobicContact CD2-CE1 3.75Å; F42-F182 HydrophobicContact CD2-CE2 4.38Å; F42-F182 AromaticContact CD2-CG 3.65Å; F42-F182 HydrophobicContact CD2-CG 3.65Å; F42-F182 HydrophobicContact CD2-CZ 4.22Å; F42-F182 HydrophobicContact CE1-CB 4.21Å; F42-F182 HydrophobicContact CE1-CD1 4.38Å; F42-F182 HydrophobicContact CE2-CB 3.64Å; F42-F182 AromaticContact CE2-CD1 3.82Å; F42-F182 HydrophobicContact CE2-CD1 3.82Å; F42-F182 HydrophobicContact CE2-CD2 4.05Å; F42-F182 AromaticContact CE2-CG 3.57Å; F42-F182 HydrophobicContact CE2-CG 3.57Å; F42-F182 AromaticContact CG-CD1 3.53Å; F42-F182 HydrophobicContact CG-CD1 3.53Å; F42-F182 AromaticContact CG-CE1 3.84Å; F42-F182 HydrophobicContact CG-CE1 3.84Å; F42-F182 HydrophobicContact CG-CG 4.18Å; F42-F182 HydrophobicContact CZ-CB 3.69Å; F42-F182 HydrophobicContact CZ-CD1 4.3Å; F42-F182 HydrophobicContact CZ-CG 4.09Å
43L85.3Confident83Confident59 Ų5958 Ų5831%0.30931%0.305SS..Hα-helixtrans-63.1-40.8178.9-75.8172.6000112.6L39 F40 I41 C45 C46 Q47 T185L39-L43 WeakPolarHBondContact O-CB 3.31Å; L39-L43 WeakPolarHBondContact O-CG 3.27Å; L39-L43 PolarHBondContact O-N 3.15Å; F40-L43 PolarHBondContact O-N 2.98Å; I41-L43 PolarHBondContact O-N 3.33Å; L43-C45 VanDerWaalsContact C-N 3.34Å; L43-C46 WeakPolarHBondContact O-CB 3.36Å; L43-C46 PolarHBondContact O-N 3.16Å; L43-Q47 WeakPolarHBondContact O-CG 3.33Å; L43-Q47 PolarHBondContact O-N 2.77Å; L43-T185 HydrophobicContact CD1-CG2 4.29Å; L43-T185 HydrophobicContact CD2-CG2 3.62Å; L43-T185 HydrophobicContact CG-CG2 4.02Å
44V88.2Confident81.3Confident62 Ų6261 Ų6138%0.37632%0.318SS..Hα-helixtrans-63.4-42.6175.3171.20000110.4F40 I41 F42 C46 Q47 I48F40-V44 HydrophobicContact CD1-CG2 4.13Å; F40-V44 HydrophobicContact CE1-CG2 3.76Å; F40-V44 HydrophobicContact CZ-CG2 3.97Å; F40-V44 VanDerWaalsContact O-CG2 3.32Å; F40-V44 WeakPolarHBondContact O-CG2 3.34Å; F40-V44 PolarHBondContact O-N 3.38Å; I41-V44 PolarHBondContact O-N 2.87Å; F42-V44 PolarHBondContact O-N 3.31Å; V44-C46 VanDerWaalsContact C-N 3.29Å; V44-C46 PolarHBondContact O-N 3.43Å; V44-Q47 PolarHBondContact O-N 3.5Å; V44-Q47 VanDerWaalsContact O-N 3.12Å; V44-I48 HydrophobicContact CG1-CD1 3.78Å; V44-I48 HydrophobicContact CG1-CG1 4.39Å; V44-I48 WeakPolarHBondContact O-CG1 3.38Å; V44-I48 PolarHBondContact O-N 3.25Å
45C83.6Confident79.5Confident19 Ų1959 Ų5913%0.12832%0.32CS..Hα-helixtrans-61.7-36.4174.8-69.60000112.6I41 F42 L43 Q47 M77I41-C45 PolarHBondContact O-N 2.89Å; I41-C45 PolarHBondContact O-SG 3.23Å; F42-C45 WeakPolarHBondContact O-CB 3.4Å; F42-C45 PolarHBondContact O-N 3.33Å; L43-C45 VanDerWaalsContact C-N 3.34Å; C45-Q47 PolarHBondContact O-N 2.97Å; C45-M77 VanDerWaalsContact C-CG 3.49Å; C45-M77 HydrophobicContact CB-CG 3.68Å; C45-M77 HydrophobicContact CB-SD 3.75Å
46C78.6Confident77.7Confident1 Ų163.1 Ų63.11%0.00735%0.349CS..THydrogen-bonded Turntrans-65.3-14.3175.7-76.20000114.3F42 L43 V44 N72 T75 M77F42-C46 VanDerWaalsContact CE1-SG 3.6Å; F42-C46 PolarHBondContact O-N 3.37Å; F42-C46 PolarHBondContact O-SG 3.42Å; F42-C46 VanDerWaalsContact O-SG 3.42Å; L43-C46 WeakPolarHBondContact O-CB 3.36Å; L43-C46 PolarHBondContact O-N 3.16Å; V44-C46 VanDerWaalsContact C-N 3.29Å; V44-C46 PolarHBondContact O-N 3.43Å; C46-N72 PolarHBondContact O-ND2 3.45Å; C46-T75 WeakPolarHBondContact O-CG2 3.29Å; C46-M77 HydrophobicContact CB-CG 4.42Å
47Q81Confident75.8Confident121 Ų12168.2 Ų68.257%0.56537%0.368SS*.THydrogen-bonded Turntrans-110.4-18-175.6-66.5-67.6-2200113.3L43 V44 C45 P49 E189L43-Q47 WeakPolarHBondContact O-CG 3.33Å; L43-Q47 PolarHBondContact O-N 2.77Å; V44-Q47 PolarHBondContact O-N 3.5Å; V44-Q47 VanDerWaalsContact O-N 3.12Å; C45-Q47 PolarHBondContact O-N 2.97Å; Q47-P49 WeakPolarHBondContact O-CD 3.5Å; Q47-E189 PolarHBondContact NE2-OE1 3.35Å
48I84.1Confident73.9Confident75 Ų7567.2 Ų67.239%0.38537%0.368SS..SBendtrans-78.3118.5178.6-65.7165.3000109.4V44 T75 L76V44-I48 HydrophobicContact CG1-CD1 3.78Å; V44-I48 HydrophobicContact CG1-CG1 4.39Å; V44-I48 WeakPolarHBondContact O-CG1 3.38Å; V44-I48 PolarHBondContact O-N 3.25Å; I48-T75 VanDerWaalsContact O-CA 3.25Å; I48-T75 WeakPolarHBondContact O-CA 3.31Å; I48-T75 WeakPolarHBondContact O-CB 3.37Å; I48-L76 HydrophobicContact CB-CD1 3.75Å; I48-L76 HydrophobicContact CB-CG 4.15Å; I48-L76 HydrophobicContact CD1-CD1 4.01Å; I48-L76 HydrophobicContact CG1-CD1 4.49Å; I48-L76 HydrophobicContact CG2-CD1 3.74Å; I48-L76 HydrophobicContact CG2-CG 4.03Å; I48-L76 PolarHBondContact O-N 2.91Å
49P80.7Confident72Confident92 Ų9269.1 Ų69.160%0.59738%0.383SS*.BIsolated β-bridgetrans-70150.5177.429.3-34.2000111.7Q47 G74Q47-P49 WeakPolarHBondContact O-CD 3.5Å; P49-G74 CarbonylContact C-O 3.59Å; P49-G74 VanDerWaalsContact CA-O 3.3Å; P49-G74 WeakPolarHBondContact CA-O 3.25Å
50L77.3Confident70.4Confident9 Ų969 Ų695%0.04738%0.383CS..PPolyproline II helixtrans-70.9147.1173.7-67.1153.9000110.7I53 G74 T75 L76 E78 Y137 Q154 L155L50-I53 HydrophobicContact CB-CD1 3.9Å; L50-I53 HydrophobicContact CB-CG1 4.14Å; L50-I53 HydrophobicContact CD1-CD1 4.47Å; L50-G74 PolarHBondContact N-O 2.96Å; L50-T75 VanDerWaalsContact CD1-O 3.26Å; L50-T75 WeakPolarHBondContact CD1-O 3.19Å; L50-T75 WeakPolarHBondContact CG-O 3.48Å; L50-L76 HydrophobicContact CD2-CD2 4.24Å; L50-E78 HydrophobicContact CD1-CB 4.37Å; L50-Y137 HydrophobicContact CD1-CE1 4.12Å; L50-Q154 HydrophobicContact CD2-CG 3.99Å; L50-L155 HydrophobicContact CD1-CD2 3.96Å; L50-L155 HydrophobicContact CD2-CD2 3.6Å; L50-L155 HydrophobicContact CD2-CG 4.12Å; L50-L155 HydrophobicContact CG-CD2 4.41Å
51F73.4Confident68.7Low124 Ų12464.4 Ų64.454%0.54437%0.367SS..THydrogen-bonded Turntrans-75.7128.2175-175.8-95.8000110L150 I151F51-L150 HydrophobicContact CB-CD2 4.22Å; F51-L150 HydrophobicContact CD1-CD2 3.89Å; F51-L150 HydrophobicContact CG-CD2 4.38Å; F51-I151 VanDerWaalsContact O-CG1 3.26Å; F51-I151 WeakPolarHBondContact O-CG1 3.39Å
52G65.8Low67.2Low23 Ų2362.4 Ų62.424%0.23736%0.357CS..THydrogen-bonded Turntrans98.110.9172.100000116.9M54G52-M54 PolarHBondContact O-N 3.45Å
53I62.3Low66Low47 Ų4766.1 Ų66.124%0.24137%0.371CS..  trans-72.8111173.1-55.5170.1000109.1L50 G74 Y137L50-I53 HydrophobicContact CB-CD1 3.9Å; L50-I53 HydrophobicContact CB-CG1 4.14Å; L50-I53 HydrophobicContact CD1-CD1 4.47Å; I53-G74 WeakPolarHBondContact CD1-O 3.19Å; I53-Y137 HydrophobicContact CG1-CD1 4.33Å
54M51.7Low64.9Low163 Ų16367.3 Ų67.380%0.80337%0.372SS*.  trans-99-16.4173.8-70-168.872.300113.4G52G52-M54 PolarHBondContact O-N 3.45Å
55S49.8Very low63.8Low57 Ų5765.9 Ų65.940%0.39936%0.361SS..  trans-126.594-175.3-58.40000111.6D57S55-D57 VanDerWaalsContact C-N 3.34Å
56S49.7Very low63.1Low97 Ų9766 Ų6668%0.67836%0.359SS*.  trans-84.4-3.8175.2-57.90000114.1
57D48.6Very low62.4Low162 Ų16267.7 Ų67.787%0.86637%0.369SS*.  trans-106.36.1-168.2-93.7-8000116S55S55-D57 VanDerWaalsContact C-N 3.34Å
58S50.8Low61.7Low52 Ų5262.8 Ų62.836%0.36435%0.346SS..SBendtrans-72.4138.717553.10000111.3D60 R73S58-D60 PolarHBondContact O-N 2.89Å; S58-R73 VanDerWaalsContact O-CZ 3.25Å; S58-R73 PolarHBondContact O-NH1 3.37Å; S58-R73 PolarHBondContact O-NH2 2.86Å; S58-R73 PolarHBondContact OG-NH2 3.28Å
59A48.6Very low61Low42 Ų4260.1 Ų60.135%0.34733%0.333SS..  trans-59.2132177.700000110.7P61 A333A59-P61 WeakPolarHBondContact O-CD 3.48Å; A59-A333 HydrophobicContact CB-CB 3.97Å
60D54.4Low60.5Low34 Ų3455.8 Ų55.818%0.18231%0.305CS..  trans-86.2108.3-176-160.8-20.1000111.1S58 F62 R66S58-D60 PolarHBondContact O-N 2.89Å; D60-F62 PolarHBondContact O-N 3.46Å; D60-F62 PolarHBondContact OD1-N 2.75Å; D60-F62 VanDerWaalsContact OD1-N 3.15Å; D60-R66 IonicContact OD1-CZ 2.76Å; D60-R66 IonicContact OD1-NE 3.57Å; D60-R66 PolarHBondContact OD1-NE 3.21Å; D60-R66 IonicContact OD1-NH2 2.73Å; D60-R66 PolarHBondContact OD1-NH2 3.33Å; D60-R66 IonicContact OD2-CZ 3.67Å; D60-R66 IonicContact OD2-NE 3.58Å; D60-R66 PolarHBondContact OD2-NE 3.08Å; D60-R66 IonicContact OD2-NH2 2.65Å; D60-R66 PolarHBondContact OD2-NH2 3.38Å
61P52.9Low60.1Low46 Ų4655.7 Ų55.730%0.29931%0.305SS..THydrogen-bonded Turntrans-70.6-15.1-179.7-16.634.2000112.7A59 Q306A59-P61 WeakPolarHBondContact O-CD 3.48Å; P61-Q306 PolarHBondContact O-OE1 2.83Å
62F58.3Low60Low25 Ų2551.6 Ų51.611%0.1129%0.289CS..THydrogen-bonded Turntrans-109.115.8-170.3-64.4-67.5000114.3D60 W64 M65 R66 Y131 M136 V303 M307D60-F62 PolarHBondContact O-N 3.46Å; D60-F62 PolarHBondContact OD1-N 2.75Å; D60-F62 VanDerWaalsContact OD1-N 3.15Å; F62-W64 PolarHBondContact O-N 3.42Å; F62-W64 VanDerWaalsContact O-N 3.11Å; F62-M65 HydrophobicContact CB-CB 4.27Å; F62-M65 HydrophobicContact CD1-CB 4.39Å; F62-M65 HydrophobicContact CD1-CE 4Å; F62-M65 HydrophobicContact CD1-SD 4.14Å; F62-M65 HydrophobicContact CE1-CE 4.28Å; F62-M65 WeakPolarHBondContact O-CA 3.43Å; F62-M65 WeakPolarHBondContact O-CB 3.36Å; F62-M65 PolarHBondContact O-N 3Å; F62-R66 WeakPolarHBondContact O-CG 3.43Å; F62-R66 PolarHBondContact O-N 3.03Å; F62-Y131 HydrophobicContact CD2-CE1 4.48Å; F62-Y131 AromaticContact CE2-CE1 3.93Å; F62-Y131 HydrophobicContact CE2-CE1 3.93Å; F62-Y131 HydrophobicContact CZ-CE1 4.49Å; F62-M136 HydrophobicContact CD2-SD 4.49Å; F62-M136 HydrophobicContact CE2-SD 4.19Å; F62-V303 HydrophobicContact CD1-CG1 4.43Å; F62-V303 HydrophobicContact CD1-CG2 3.55Å; F62-V303 HydrophobicContact CE1-CB 4.2Å; F62-V303 HydrophobicContact CE1-CG1 3.56Å; F62-V303 HydrophobicContact CE1-CG2 3.51Å; F62-V303 HydrophobicContact CZ-CG1 4.12Å; F62-M307 HydrophobicContact CZ-CE 4.21Å
63Y60.4Low60.1Low78 Ų7854.1 Ų54.131%0.30629%0.291SS..Hα-helixtrans-47.9-46.3-176.3-176.8-103.7000113.3R66 R334Y63-R66 PolarHBondContact O-N 3.1Å; Y63-R334 PolarHBondContact OH-NH2 3.38Å
64W61.8Low60.5Low85 Ų8552.5 Ų52.532%0.32229%0.286SS..Hα-helixtrans-68.2-35.6178.5-59.4106.9000113.2F62 P347F62-W64 PolarHBondContact O-N 3.42Å; F62-W64 VanDerWaalsContact O-N 3.11Å; W64-P347 HydrophobicContact CH2-CG 4.31Å
65M65.3Low62Low32 Ų3245.5 Ų45.516%0.15825%0.252CS..Hα-helixtrans-71.9-33.4178.5-145.3172.681.400111.4F62 V67 I68 L69F62-M65 HydrophobicContact CB-CB 4.27Å; F62-M65 HydrophobicContact CD1-CB 4.39Å; F62-M65 HydrophobicContact CD1-CE 4Å; F62-M65 HydrophobicContact CD1-SD 4.14Å; F62-M65 HydrophobicContact CE1-CE 4.28Å; F62-M65 WeakPolarHBondContact O-CA 3.43Å; F62-M65 WeakPolarHBondContact O-CB 3.36Å; F62-M65 PolarHBondContact O-N 3Å; M65-V67 VanDerWaalsContact C-N 3.31Å; M65-V67 PolarHBondContact O-N 3.25Å; M65-I68 PolarHBondContact O-N 2.79Å; M65-L69 HydrophobicContact CB-CD1 4.19Å; M65-L69 HydrophobicContact CE-CD1 3.28Å; M65-L69 HydrophobicContact CG-CD1 3.48Å; M65-L69 VanDerWaalsContact CG-CD1 3.48Å; M65-L69 HydrophobicContact CG-CG 4.13Å; M65-L69 WeakPolarHBondContact O-CB 3.43Å; M65-L69 WeakPolarHBondContact O-CG 3.35Å; M65-L69 PolarHBondContact O-N 3.19Å; M65-L69 HydrophobicContact SD-CD1 4.02Å
66R68.7Low63.3Low22 Ų2244.1 Ų44.18%0.08324%0.24CC..Hα-helixtrans-61.4-36.7-178.1-75.7-171.2-167.4-86.77.8113.5D60 F62 Y63 I68 L69 A70 S71 E78D60-R66 IonicContact OD1-CZ 2.76Å; D60-R66 IonicContact OD1-NE 3.57Å; D60-R66 PolarHBondContact OD1-NE 3.21Å; D60-R66 IonicContact OD1-NH2 2.73Å; D60-R66 PolarHBondContact OD1-NH2 3.33Å; D60-R66 IonicContact OD2-CZ 3.67Å; D60-R66 IonicContact OD2-NE 3.58Å; D60-R66 PolarHBondContact OD2-NE 3.08Å; D60-R66 IonicContact OD2-NH2 2.65Å; D60-R66 PolarHBondContact OD2-NH2 3.38Å; F62-R66 WeakPolarHBondContact O-CG 3.43Å; F62-R66 PolarHBondContact O-N 3.03Å; Y63-R66 PolarHBondContact O-N 3.1Å; R66-I68 VanDerWaalsContact C-N 3.33Å; R66-I68 PolarHBondContact O-N 3.32Å; R66-L69 PolarHBondContact O-N 3.21Å; R66-A70 PolarHBondContact O-N 2.99Å; R66-S71 WeakPolarHBondContact CB-O 3.19Å; R66-S71 PolarHBondContact NH1-OG 3.38Å; R66-S71 PolarHBondContact O-N 2.94Å; R66-S71 VanDerWaalsContact O-N 3.12Å; R66-E78 IonicContact CZ-OE1 3.75Å; R66-E78 IonicContact NH1-OE1 3.47Å; R66-E78 PolarHBondContact NH1-OE1 3.27Å; R66-E78 IonicContact NH2-OE1 2.65Å; R66-E78 PolarHBondContact NH2-OE1 3.27Å; R66-E78 VanDerWaalsContact NH2-OE1 3.08Å
67V64.4Low64.8Low36 Ų3639.7 Ų39.722%0.21821%0.209CC..Hα-helixtrans-61.8-41178179.10000111.4M65M65-V67 VanDerWaalsContact C-N 3.31Å; M65-V67 PolarHBondContact O-N 3.25Å
68I67.1Low66.1Low17 Ų1732.1 Ų32.19%0.08717%0.168CC..Hα-helixtrans-78.9-34.7-179.2-54.9169.5000110.9M65 R66 A70 I183 I292 S295M65-I68 PolarHBondContact O-N 2.79Å; R66-I68 VanDerWaalsContact C-N 3.33Å; R66-I68 PolarHBondContact O-N 3.32Å; I68-A70 VanDerWaalsContact C-N 3.3Å; I68-I183 WeakPolarHBondContact O-CG1 3.45Å; I68-I292 HydrophobicContact CG2-CG2 4.37Å; I68-S295 WeakPolarHBondContact CD1-OG 3.23Å
69L69.6Low67.3Low20 Ų2030 Ų3011%0.10515%0.153CC..Hα-helixtrans-85.8-2.6-175.1-65.5177.7000113.8M65 R66 S71 I81M65-L69 HydrophobicContact CB-CD1 4.19Å; M65-L69 HydrophobicContact CE-CD1 3.28Å; M65-L69 HydrophobicContact CG-CD1 3.48Å; M65-L69 VanDerWaalsContact CG-CD1 3.48Å; M65-L69 HydrophobicContact CG-CG 4.13Å; M65-L69 WeakPolarHBondContact O-CB 3.43Å; M65-L69 WeakPolarHBondContact O-CG 3.35Å; M65-L69 PolarHBondContact O-N 3.19Å; M65-L69 HydrophobicContact SD-CD1 4.02Å; R66-L69 PolarHBondContact O-N 3.21Å; L69-S71 PolarHBondContact O-N 3.1Å; L69-I81 PolarHBondContact O-N 3.25Å
70A68.6Low68.8Low0 Ų028.2 Ų28.20%014%0.139CC..THydrogen-bonded Turntrans48.548.9-172.700000111.5F42 R66 I68 I81 N186F42-A70 HydrophobicContact CZ-CB 4.04Å; R66-A70 PolarHBondContact O-N 2.99Å; I68-A70 VanDerWaalsContact C-N 3.3Å; A70-I81 HydrophobicContact CB-CD1 3.61Å; A70-I81 HydrophobicContact CB-CG1 4.13Å; A70-N186 HydrophobicContact CB-CB 3.69Å
71S69.7Low70.1Confident7 Ų726.6 Ų26.65%0.04913%0.13CC..  trans-109.9125.9-176.51620000110.5R66 L69 M77 E78R66-S71 WeakPolarHBondContact CB-O 3.19Å; R66-S71 PolarHBondContact NH1-OG 3.38Å; R66-S71 PolarHBondContact O-N 2.94Å; R66-S71 VanDerWaalsContact O-N 3.12Å; L69-S71 PolarHBondContact O-N 3.1Å; S71-M77 WeakPolarHBondContact CA-O 3.44Å; S71-M77 PolarHBondContact OG-O 2.89Å; S71-E78 WeakPolarHBondContact CB-O 3.45Å; S71-E78 PolarHBondContact OG-O 3.39Å
72N70.9Confident71.3Confident39 Ų3924.6 Ų24.621%0.20912%0.117CC..  trans-104.5126.8173-70.1-10.1000109C46 G74 T75 M77 N186C46-N72 PolarHBondContact O-ND2 3.45Å; N72-G74 PolarHBondContact O-N 3.13Å; N72-T75 HydrophobicContact CB-CG2 3.97Å; N72-T75 WeakPolarHBondContact CB-OG1 3.4Å; N72-T75 PolarHBondContact O-N 3.36Å; N72-T75 PolarHBondContact O-OG1 3.4Å; N72-M77 PolarHBondContact N-O 3.41Å; N72-N186 PolarHBondContact OD1-ND2 2.9Å
73R69.2Low72.5Confident76 Ų7623.5 Ų23.529%0.28711%0.112SC..THydrogen-bonded Turntrans-62.4136.4-179.2-178.3175.6174.8169.2-4.8111.6S58 T75S58-R73 VanDerWaalsContact O-CZ 3.25Å; S58-R73 PolarHBondContact O-NH1 3.37Å; S58-R73 PolarHBondContact O-NH2 2.86Å; S58-R73 PolarHBondContact OG-NH2 3.28Å; R73-T75 PolarHBondContact O-N 3.08Å
74G70Confident73.5Confident13 Ų1320 Ų2013%0.13410%0.099CC..THydrogen-bonded Turntrans73.614173.100000114.5P49 L50 I53 N72 E78P49-G74 CarbonylContact C-O 3.59Å; P49-G74 VanDerWaalsContact CA-O 3.3Å; P49-G74 WeakPolarHBondContact CA-O 3.25Å; L50-G74 PolarHBondContact N-O 2.96Å; I53-G74 WeakPolarHBondContact CD1-O 3.19Å; N72-G74 PolarHBondContact O-N 3.13Å; G74-E78 PolarHBondContact N-OE2 3.27Å
75T82.3Confident74.4Confident16 Ų1617.2 Ų17.210%0.0989%0.092CC..BIsolated β-bridgetrans-115.3167.6178.571.60000110.3C46 I48 L50 N72 R73 M77 E78C46-T75 WeakPolarHBondContact O-CG2 3.29Å; I48-T75 VanDerWaalsContact O-CA 3.25Å; I48-T75 WeakPolarHBondContact O-CA 3.31Å; I48-T75 WeakPolarHBondContact O-CB 3.37Å; L50-T75 VanDerWaalsContact CD1-O 3.26Å; L50-T75 WeakPolarHBondContact CD1-O 3.19Å; L50-T75 WeakPolarHBondContact CG-O 3.48Å; N72-T75 HydrophobicContact CB-CG2 3.97Å; N72-T75 WeakPolarHBondContact CB-OG1 3.4Å; N72-T75 PolarHBondContact O-N 3.36Å; N72-T75 PolarHBondContact O-OG1 3.4Å; R73-T75 PolarHBondContact O-N 3.08Å; T75-M77 PolarHBondContact O-N 2.69Å; T75-M77 PolarHBondContact OG1-N 2.57Å; T75-E78 PolarHBondContact O-N 3.5Å; T75-E78 VanDerWaalsContact O-N 3.1Å
76L79Confident75.1Confident28 Ų2818 Ų1815%0.14710%0.098CC..THydrogen-bonded Turntrans-51.3-24.3172.7-69.9174.9000113I48 L50 E78 Q154 A158I48-L76 HydrophobicContact CB-CD1 3.75Å; I48-L76 HydrophobicContact CB-CG 4.15Å; I48-L76 HydrophobicContact CD1-CD1 4.01Å; I48-L76 HydrophobicContact CG1-CD1 4.49Å; I48-L76 HydrophobicContact CG2-CD1 3.74Å; I48-L76 HydrophobicContact CG2-CG 4.03Å; I48-L76 PolarHBondContact O-N 2.91Å; L50-L76 HydrophobicContact CD2-CD2 4.24Å; L76-E78 VanDerWaalsContact C-N 3.35Å; L76-E78 PolarHBondContact O-N 3.45Å; L76-Q154 HydrophobicContact CD2-CG 3.41Å; L76-Q154 VanDerWaalsContact CD2-CG 3.41Å; L76-A158 HydrophobicContact CB-CB 4.11Å; L76-A158 HydrophobicContact CD2-CB 4.39Å; L76-A158 VanDerWaalsContact O-CB 3.24Å; L76-A158 WeakPolarHBondContact O-CB 3.21Å
77M80.9Confident75.7Confident3 Ų317 Ų172%0.01510%0.095CC..THydrogen-bonded Turntrans-95.628.8-177-61.1-62.4-67.700113.2F42 C45 C46 S71 N72 T75 L79 G80 V162F42-M77 HydrophobicContact CD2-CE 3.45Å; F42-M77 VanDerWaalsContact CD2-CE 3.45Å; F42-M77 HydrophobicContact CE2-CE 3.09Å; F42-M77 HydrophobicContact CZ-CE 3.9Å; C45-M77 VanDerWaalsContact C-CG 3.49Å; C45-M77 HydrophobicContact CB-CG 3.68Å; C45-M77 HydrophobicContact CB-SD 3.75Å; C46-M77 HydrophobicContact CB-CG 4.42Å; S71-M77 WeakPolarHBondContact CA-O 3.44Å; S71-M77 PolarHBondContact OG-O 2.89Å; N72-M77 PolarHBondContact N-O 3.41Å; T75-M77 PolarHBondContact O-N 2.69Å; T75-M77 PolarHBondContact OG1-N 2.57Å; M77-L79 PolarHBondContact O-N 3.19Å; M77-G80 WeakPolarHBondContact O-CA 3.3Å; M77-G80 PolarHBondContact O-N 2.95Å; M77-V162 HydrophobicContact CE-CG1 4.39Å; M77-V162 HydrophobicContact CE-CG2 3.47Å; M77-V162 VanDerWaalsContact CE-CG2 3.47Å; M77-V162 HydrophobicContact SD-CG2 3.52Å; M77-V162 VanDerWaalsContact SD-CG2 3.52Å
78E75.4Confident76.4Confident4 Ų415.5 Ų15.52%0.0199%0.087CC..SBendtrans-67-35.6179.9-174.4135.8-156.800113.9L50 R66 S71 G74 T75 L76 G80 Y137 L155L50-E78 HydrophobicContact CD1-CB 4.37Å; R66-E78 IonicContact CZ-OE1 3.75Å; R66-E78 IonicContact NH1-OE1 3.47Å; R66-E78 PolarHBondContact NH1-OE1 3.27Å; R66-E78 IonicContact NH2-OE1 2.65Å; R66-E78 PolarHBondContact NH2-OE1 3.27Å; R66-E78 VanDerWaalsContact NH2-OE1 3.08Å; S71-E78 WeakPolarHBondContact CB-O 3.45Å; S71-E78 PolarHBondContact OG-O 3.39Å; G74-E78 PolarHBondContact N-OE2 3.27Å; T75-E78 PolarHBondContact O-N 3.5Å; T75-E78 VanDerWaalsContact O-N 3.1Å; L76-E78 VanDerWaalsContact C-N 3.35Å; L76-E78 PolarHBondContact O-N 3.45Å; E78-G80 VanDerWaalsContact C-N 3.25Å; E78-Y137 VanDerWaalsContact CG-OH 3.25Å; E78-Y137 WeakPolarHBondContact CG-OH 3.45Å; E78-Y137 WeakPolarHBondContact OE2-CE1 3.49Å; E78-Y137 PolarHBondContact OE2-OH 2.92Å; E78-L155 HydrophobicContact CB-CD2 4.18Å
79L75.6Confident76.8Confident6 Ų618 Ų183%0.03110%0.1CC..SBendtrans-74.4-21.2168.1-72.191.6000111.7M77 I81 S82 P83 Q127 Y131 L155M77-L79 PolarHBondContact O-N 3.19Å; L79-I81 PolarHBondContact O-N 3.33Å; L79-S82 VanDerWaalsContact O-CB 3.31Å; L79-S82 WeakPolarHBondContact O-CB 3.43Å; L79-S82 PolarHBondContact O-N 2.83Å; L79-S82 VanDerWaalsContact O-N 3.1Å; L79-S82 PolarHBondContact O-OG 3.44Å; L79-P83 HydrophobicContact CB-CG 4.25Å; L79-P83 HydrophobicContact CD2-CG 3.98Å; L79-Q127 HydrophobicContact CD2-CB 3.54Å; L79-Q127 HydrophobicContact CG-CB 4.47Å; L79-Y131 HydrophobicContact CG-CD2 4.38Å; L79-Y131 HydrophobicContact CG-CE2 4.28Å; L79-L155 HydrophobicContact CD1-CB 3.78Å; L79-L155 HydrophobicContact CD1-CD1 4Å; L79-L155 HydrophobicContact CD1-CD2 3.79Å; L79-L155 HydrophobicContact CD1-CG 4.06Å
80G80.6Confident77.3Confident6 Ų620.9 Ų20.96%0.06211%0.114CC..THydrogen-bonded Turntrans51.7-131.8-176.600000112M77 E78M77-G80 WeakPolarHBondContact O-CA 3.3Å; M77-G80 PolarHBondContact O-N 2.95Å; E78-G80 VanDerWaalsContact C-N 3.25Å
81I80.4Confident77.8Confident0 Ų021 Ų210%012%0.115CC..THydrogen-bonded Turntrans-96.84.5179.8-39.3159.5000110.9L69 A70 L79 P83 I84 V85 I179 F182 I183L69-I81 PolarHBondContact O-N 3.25Å; A70-I81 HydrophobicContact CB-CD1 3.61Å; A70-I81 HydrophobicContact CB-CG1 4.13Å; L79-I81 PolarHBondContact O-N 3.33Å; I81-P83 VanDerWaalsContact C-CD 3.44Å; I81-I84 HydrophobicContact CG2-CB 3.9Å; I81-I84 HydrophobicContact CG2-CD1 4.14Å; I81-I84 HydrophobicContact CG2-CG1 4.17Å; I81-I84 PolarHBondContact O-N 3.32Å; I81-I84 VanDerWaalsContact O-N 3.08Å; I81-V85 HydrophobicContact CB-CG2 4.37Å; I81-V85 HydrophobicContact CG2-CG2 3.93Å; I81-V85 PolarHBondContact O-N 3.24Å; I81-I179 HydrophobicContact CG2-CB 4.34Å; I81-I179 HydrophobicContact CG2-CG1 3.99Å; I81-I179 HydrophobicContact CG2-CG2 4.14Å; I81-F182 HydrophobicContact CD1-CB 3.36Å; I81-F182 HydrophobicContact CD1-CD2 4.31Å; I81-F182 HydrophobicContact CD1-CG 4.35Å; I81-F182 HydrophobicContact CG1-CB 4.04Å; I81-F182 HydrophobicContact CG1-CD2 4.26Å; I81-I183 HydrophobicContact CD1-CG1 3.65Å
82S79.9Confident78Confident3 Ų325.2 Ų25.22%0.02113%0.134CC..Hα-helixtrans-54.5-43.6-174.672.40000114.6L79 I84 T86 Q127L79-S82 VanDerWaalsContact O-CB 3.31Å; L79-S82 WeakPolarHBondContact O-CB 3.43Å; L79-S82 PolarHBondContact O-N 2.83Å; L79-S82 VanDerWaalsContact O-N 3.1Å; L79-S82 PolarHBondContact O-OG 3.44Å; S82-I84 VanDerWaalsContact C-N 3.27Å; S82-I84 PolarHBondContact O-N 3.5Å; S82-T86 VanDerWaalsContact O-CB 3.3Å; S82-T86 WeakPolarHBondContact O-CB 3.31Å; S82-T86 WeakPolarHBondContact O-CG2 3.33Å; S82-T86 PolarHBondContact O-N 3.29Å; S82-T86 PolarHBondContact O-OG1 3.42Å; S82-Q127 PolarHBondContact OG-OE1 3.45Å
83P81.7Confident78.1Confident2 Ų229 Ų291%0.01315%0.154CC..Hα-helixtrans-69.9-30.7-178.3-19.937.5000111.8L79 I81 T86 S87 I123 T124L79-P83 HydrophobicContact CB-CG 4.25Å; L79-P83 HydrophobicContact CD2-CG 3.98Å; I81-P83 VanDerWaalsContact C-CD 3.44Å; P83-T86 WeakPolarHBondContact CA-OG1 3.46Å; P83-T86 PolarHBondContact O-OG1 3.02Å; P83-S87 VanDerWaalsContact O-CB 3.25Å; P83-S87 WeakPolarHBondContact O-CB 3.48Å; P83-S87 PolarHBondContact O-N 2.95Å; P83-S87 PolarHBondContact O-OG 3.32Å; P83-I123 HydrophobicContact CB-CB 4.29Å; P83-I123 HydrophobicContact CB-CG2 3.97Å; P83-T124 HydrophobicContact CB-CG2 3.47Å; P83-T124 VanDerWaalsContact CB-CG2 3.47Å; P83-T124 HydrophobicContact CG-CG2 3.49Å; P83-T124 VanDerWaalsContact CG-CG2 3.49Å
84I83Confident78.5Confident5 Ų527.7 Ų27.73%0.02615%0.152CC..Hα-helixtrans-74.2-47-179.6-42.1-166.5000110.4I81 S82 S87 G88 V162 L163 D166 I179I81-I84 HydrophobicContact CG2-CB 3.9Å; I81-I84 HydrophobicContact CG2-CD1 4.14Å; I81-I84 HydrophobicContact CG2-CG1 4.17Å; I81-I84 PolarHBondContact O-N 3.32Å; I81-I84 VanDerWaalsContact O-N 3.08Å; S82-I84 VanDerWaalsContact C-N 3.27Å; S82-I84 PolarHBondContact O-N 3.5Å; I84-S87 PolarHBondContact O-OG 2.96Å; I84-G88 PolarHBondContact O-N 2.67Å; I84-V162 HydrophobicContact CD1-CB 4.38Å; I84-V162 HydrophobicContact CD1-CG1 3.7Å; I84-L163 HydrophobicContact CB-CD2 4.3Å; I84-L163 HydrophobicContact CD1-CD2 3.84Å; I84-L163 HydrophobicContact CD1-CG 4.02Å; I84-L163 HydrophobicContact CG1-CD2 3.56Å; I84-L163 HydrophobicContact CG1-CG 4.02Å; I84-L163 HydrophobicContact CG2-CD2 4.3Å; I84-D166 HydrophobicContact CD1-CB 4.23Å; I84-D166 WeakPolarHBondContact CG2-OD2 2.95Å; I84-I179 HydrophobicContact CG2-CD1 3.85Å; I84-I179 HydrophobicContact CG2-CG1 3.99Å
85V80.2Confident78.6Confident27 Ų2728.7 Ų28.716%0.16416%0.159CC..Hα-helixtrans-65.1-47.4177.2175.60000110.2I81 G88 L89 I179I81-V85 HydrophobicContact CB-CG2 4.37Å; I81-V85 HydrophobicContact CG2-CG2 3.93Å; I81-V85 PolarHBondContact O-N 3.24Å; V85-G88 PolarHBondContact O-N 3.2Å; V85-L89 HydrophobicContact CB-CD1 4.48Å; V85-L89 HydrophobicContact CG1-CD1 3.31Å; V85-L89 WeakPolarHBondContact O-CD1 3.33Å; V85-L89 PolarHBondContact O-N 2.93Å; V85-I179 HydrophobicContact CG2-CD1 4.43Å; V85-I179 HydrophobicContact CG2-CG2 3.66Å
86T80.1Confident77.9Confident48 Ų4829.5 Ų29.529%0.29417%0.171SC..Hα-helixtrans-63.5-46.6-178.851.20000112.3S82 P83 G88 L89 I90S82-T86 VanDerWaalsContact O-CB 3.3Å; S82-T86 WeakPolarHBondContact O-CB 3.31Å; S82-T86 WeakPolarHBondContact O-CG2 3.33Å; S82-T86 PolarHBondContact O-N 3.29Å; S82-T86 PolarHBondContact O-OG1 3.42Å; P83-T86 WeakPolarHBondContact CA-OG1 3.46Å; P83-T86 PolarHBondContact O-OG1 3.02Å; T86-G88 VanDerWaalsContact C-N 3.33Å; T86-G88 PolarHBondContact O-N 3.46Å; T86-L89 PolarHBondContact O-N 2.89Å; T86-I90 WeakPolarHBondContact O-CB 3.41Å; T86-I90 WeakPolarHBondContact O-CD1 3.38Å; T86-I90 WeakPolarHBondContact O-CG1 3.24Å; T86-I90 PolarHBondContact O-N 3.44Å
87S81.8Confident77.6Confident1 Ų130.9 Ų30.91%0.00719%0.186CC..Hα-helixtrans-59.9-42.7174.455.80000112.2P83 I84 I90 M91 Q116P83-S87 VanDerWaalsContact O-CB 3.25Å; P83-S87 WeakPolarHBondContact O-CB 3.48Å; P83-S87 PolarHBondContact O-N 2.95Å; P83-S87 PolarHBondContact O-OG 3.32Å; I84-S87 PolarHBondContact O-OG 2.96Å; S87-I90 PolarHBondContact O-N 3Å; S87-M91 WeakPolarHBondContact O-CB 3.33Å; S87-M91 VanDerWaalsContact O-CG 3.25Å; S87-M91 WeakPolarHBondContact O-CG 3.06Å; S87-M91 PolarHBondContact O-N 3.19Å; S87-Q116 WeakPolarHBondContact CB-O 3.29Å
88G78.2Confident77.1Confident5 Ų539.1 Ų39.15%0.05222%0.222CC..Hα-helixtrans-60.9-48.6176.200000112.8I84 V85 T86 M91 Q92 Q116I84-G88 PolarHBondContact O-N 2.67Å; V85-G88 PolarHBondContact O-N 3.2Å; T86-G88 VanDerWaalsContact C-N 3.33Å; T86-G88 PolarHBondContact O-N 3.46Å; G88-M91 PolarHBondContact O-N 3.03Å; G88-Q92 VanDerWaalsContact O-CB 3.29Å; G88-Q92 WeakPolarHBondContact O-CB 3.35Å; G88-Q92 WeakPolarHBondContact O-CG 3.09Å; G88-Q92 PolarHBondContact O-N 3.25Å; G88-Q116 VanDerWaalsContact CA-NE2 3.27Å
89L75.3Confident77Confident70 Ų7045 Ų4537%0.36625%0.252SS..Hα-helixtrans-62.8-43.4177.1-91.2105.5000112.5V85 T86 M91 Q92 L93 L293V85-L89 HydrophobicContact CB-CD1 4.48Å; V85-L89 HydrophobicContact CG1-CD1 3.31Å; V85-L89 WeakPolarHBondContact O-CD1 3.33Å; V85-L89 PolarHBondContact O-N 2.93Å; T86-L89 PolarHBondContact O-N 2.89Å; L89-M91 VanDerWaalsContact C-N 3.35Å; L89-M91 PolarHBondContact O-N 3.24Å; L89-Q92 PolarHBondContact O-N 3.38Å; L89-L93 VanDerWaalsContact O-CB 3.23Å; L89-L93 WeakPolarHBondContact O-CB 3.36Å; L89-L93 PolarHBondContact O-N 3.24Å; L89-L293 HydrophobicContact CD2-CD2 3.48Å; L89-L293 VanDerWaalsContact CD2-CD2 3.48Å
90I79.9Confident76.6Confident80 Ų8046.1 Ų46.141%0.4126%0.258SS..Hα-helixtrans-61.2-46.9178.4-69.6164.8000109.9T86 S87 L93 L94 I123T86-I90 WeakPolarHBondContact O-CB 3.41Å; T86-I90 WeakPolarHBondContact O-CD1 3.38Å; T86-I90 WeakPolarHBondContact O-CG1 3.24Å; T86-I90 PolarHBondContact O-N 3.44Å; S87-I90 PolarHBondContact O-N 3Å; I90-L93 PolarHBondContact O-N 3.43Å; I90-L94 HydrophobicContact CG2-CD1 3.89Å; I90-L94 HydrophobicContact CG2-CG 4.5Å; I90-L94 WeakPolarHBondContact O-CB 3.39Å; I90-L94 VanDerWaalsContact O-CG 3.25Å; I90-L94 WeakPolarHBondContact O-CG 3.24Å; I90-L94 PolarHBondContact O-N 2.93Å; I90-I123 HydrophobicContact CD1-CD1 4.27Å
91M79.8Confident75.7Confident3 Ų354.3 Ų54.32%0.01530%0.295CS..Hα-helixtrans-68.2-39.1-179.5-67.8-60.2-107.800112.3S87 G88 L89 L94 A95 F112 A115 Q116 F119S87-M91 WeakPolarHBondContact O-CB 3.33Å; S87-M91 VanDerWaalsContact O-CG 3.25Å; S87-M91 WeakPolarHBondContact O-CG 3.06Å; S87-M91 PolarHBondContact O-N 3.19Å; G88-M91 PolarHBondContact O-N 3.03Å; L89-M91 VanDerWaalsContact C-N 3.35Å; L89-M91 PolarHBondContact O-N 3.24Å; M91-L94 PolarHBondContact O-N 2.85Å; M91-L94 HydrophobicContact SD-CD1 4.19Å; M91-A95 WeakPolarHBondContact O-CB 3.46Å; M91-A95 PolarHBondContact O-N 3.34Å; M91-F112 HydrophobicContact CB-CE1 4.31Å; M91-F112 HydrophobicContact CB-CE2 3.9Å; M91-F112 HydrophobicContact CB-CZ 3.58Å; M91-A115 HydrophobicContact CE-CB 3.31Å; M91-Q116 HydrophobicContact CG-CB 4.11Å; M91-Q116 HydrophobicContact CG-CG 4.31Å; M91-F119 HydrophobicContact CE-CD2 3.68Å; M91-F119 HydrophobicContact CE-CE2 3.77Å; M91-F119 HydrophobicContact CG-CD2 4.42Å; M91-F119 HydrophobicContact SD-CD2 3.74Å; M91-F119 HydrophobicContact SD-CE2 3.81Å
92Q73.4Confident74.8Confident94 Ų9456.7 Ų56.744%0.43931%0.309SS..Hα-helixtrans-63.8-41.4173.3-75.6175.5-2.400112G88 L89 A95 G96G88-Q92 VanDerWaalsContact O-CB 3.29Å; G88-Q92 WeakPolarHBondContact O-CB 3.35Å; G88-Q92 WeakPolarHBondContact O-CG 3.09Å; G88-Q92 PolarHBondContact O-N 3.25Å; L89-Q92 PolarHBondContact O-N 3.38Å; Q92-A95 PolarHBondContact O-N 2.75Å; Q92-G96 PolarHBondContact O-N 3Å
93L73.9Confident74Confident120 Ų12057.9 Ų57.963%0.62832%0.321SS*.Hα-helixtrans-64.3-43.3176.7-177.469.4000111.3L89 I90 A95 G96 A97L89-L93 VanDerWaalsContact O-CB 3.23Å; L89-L93 WeakPolarHBondContact O-CB 3.36Å; L89-L93 PolarHBondContact O-N 3.24Å; I90-L93 PolarHBondContact O-N 3.43Å; L93-A95 VanDerWaalsContact C-N 3.35Å; L93-A95 PolarHBondContact O-N 2.85Å; L93-G96 PolarHBondContact O-N 3.37Å; L93-A97 WeakPolarHBondContact O-CB 3.44Å; L93-A97 PolarHBondContact O-N 3.4Å
94L77Confident73.2Confident47 Ų4764.1 Ų64.125%0.24636%0.355CS..Hα-helixtrans-64.4-38.8178-72167.7000112.5I90 M91 I99 I100I90-L94 HydrophobicContact CG2-CD1 3.89Å; I90-L94 HydrophobicContact CG2-CG 4.5Å; I90-L94 WeakPolarHBondContact O-CB 3.39Å; I90-L94 VanDerWaalsContact O-CG 3.25Å; I90-L94 WeakPolarHBondContact O-CG 3.24Å; I90-L94 PolarHBondContact O-N 2.93Å; M91-L94 PolarHBondContact O-N 2.85Å; M91-L94 HydrophobicContact SD-CD1 4.19Å; L94-I99 HydrophobicContact CD2-CD1 4.36Å; L94-I99 HydrophobicContact CD2-CG2 4.45Å; L94-I99 PolarHBondContact O-N 3.42Å; L94-I100 HydrophobicContact CB-CD1 3.83Å; L94-I100 HydrophobicContact CB-CG1 4.17Å; L94-I100 HydrophobicContact CD1-CD1 4.01Å; L94-I100 HydrophobicContact CG-CD1 4.4Å; L94-I100 PolarHBondContact O-N 2.9Å
95A72.2Confident72.8Confident34 Ų3467 Ų6728%0.28137%0.373SS..Hα-helixtrans-69.3-44.6173.700000111.7M91 Q92 L93 K98 V102 F112M91-A95 WeakPolarHBondContact O-CB 3.46Å; M91-A95 PolarHBondContact O-N 3.34Å; Q92-A95 PolarHBondContact O-N 2.75Å; L93-A95 VanDerWaalsContact C-N 3.35Å; L93-A95 PolarHBondContact O-N 2.85Å; A95-K98 WeakPolarHBondContact O-CA 3.42Å; A95-K98 PolarHBondContact O-N 3.13Å; A95-V102 HydrophobicContact CB-CG2 4.26Å; A95-F112 HydrophobicContact CB-CE2 4.24Å
96G67.8Low72.4Confident34 Ų3470.9 Ų70.935%0.35140%0.398SS..Hα-helixtrans-66.7-37.8-179.600000113.5Q92 L93 K98Q92-G96 PolarHBondContact O-N 3Å; L93-G96 PolarHBondContact O-N 3.37Å; G96-K98 PolarHBondContact O-N 3.37Å; G96-K98 VanDerWaalsContact O-N 3.16Å
97A72.4Confident72.1Confident57 Ų5776.6 Ų76.647%0.47142%0.419SS..THydrogen-bonded Turntrans-70.5-1.9172.400000113.1L93 I99L93-A97 WeakPolarHBondContact O-CB 3.44Å; L93-A97 PolarHBondContact O-N 3.4Å; A97-I99 HydrophobicContact CB-CD1 3.83Å; A97-I99 HydrophobicContact CB-CG1 3.86Å; A97-I99 PolarHBondContact O-N 3.46Å; A97-I99 VanDerWaalsContact O-N 3.07Å
98K69.8Low71.7Confident175 Ų17577.9 Ų77.976%0.76143%0.426SS*.THydrogen-bonded Turntrans54.622.2-175.4-59-179.5179177.80113.7A95 G96 I100A95-K98 WeakPolarHBondContact O-CA 3.42Å; A95-K98 PolarHBondContact O-N 3.13Å; G96-K98 PolarHBondContact O-N 3.37Å; G96-K98 VanDerWaalsContact O-N 3.16Å; K98-I100 VanDerWaalsContact C-N 3.28Å
99I73.5Confident71.5Confident128 Ų12884.2 Ų84.266%0.65645%0.448SS*.SBendtrans-70.7-34.9172.5-62.1171.6000108.9L94 A97L94-I99 HydrophobicContact CD2-CD1 4.36Å; L94-I99 HydrophobicContact CD2-CG2 4.45Å; L94-I99 PolarHBondContact O-N 3.42Å; A97-I99 HydrophobicContact CB-CD1 3.83Å; A97-I99 HydrophobicContact CB-CG1 3.86Å; A97-I99 PolarHBondContact O-N 3.46Å; A97-I99 VanDerWaalsContact O-N 3.07Å
100I67.6Low71.4Confident29 Ų2983 Ų8315%0.14945%0.448CS..SBendtrans-114.2113.8172.8-56.5-179.1000108.7F5 L94 K98 V102F5-I100 HydrophobicContact CD1-CD1 4.4Å; L94-I100 HydrophobicContact CB-CD1 3.83Å; L94-I100 HydrophobicContact CB-CG1 4.17Å; L94-I100 HydrophobicContact CD1-CD1 4.01Å; L94-I100 HydrophobicContact CG-CD1 4.4Å; L94-I100 PolarHBondContact O-N 2.9Å; K98-I100 VanDerWaalsContact C-N 3.28Å; I100-V102 HydrophobicContact CG2-CG2 3.92Å; I100-V102 PolarHBondContact O-N 2.92Å; I100-V102 VanDerWaalsContact O-N 3.16Å
101E61.8Low71.3Confident179 Ų17980.7 Ų80.784%0.83644%0.436SS*.  trans-76.297.5168.8-68.8-176.9171.400109.3
102V62.7Low71.2Confident50 Ų5081.9 Ų81.930%0.30344%0.442SS..  trans-85.3111.9170.4-173.70000107.6A95 I100 F112A95-V102 HydrophobicContact CB-CG2 4.26Å; I100-V102 HydrophobicContact CG2-CG2 3.92Å; I100-V102 PolarHBondContact O-N 2.92Å; I100-V102 VanDerWaalsContact O-N 3.16Å; V102-F112 HydrophobicContact CG1-CB 4.15Å; V102-F112 HydrophobicContact CG1-CD2 4.26Å; V102-F112 HydrophobicContact CG1-CG 4.33Å; V102-F112 HydrophobicContact CG2-CD2 3.52Å; V102-F112 HydrophobicContact CG2-CE2 3.86Å; V102-F112 HydrophobicContact CG2-CG 4.37Å
103G61.7Low71.3Confident27 Ų2781.1 Ų81.128%0.27844%0.44SS..  trans-67.5152.9173.400000111.7T105 D108G103-T105 PolarHBondContact O-N 3.28Å; G103-T105 VanDerWaalsContact O-N 3.13Å; G103-D108 WeakPolarHBondContact O-CB 3.38Å
104D65.3Low71.6Confident134 Ų13476.1 Ų76.172%0.71742%0.418SS*.SBendtrans-72.23.1172.9-83.2-48.2000113.7R109D104-R109 IonicContact OD1-CZ 3.77Å; D104-R109 IonicContact OD1-NE 3.23Å; D104-R109 IonicContact OD1-NH2 3.75Å; D104-R109 PolarHBondContact OD1-NH2 3.05Å
105T75.3Confident71.7Confident65 Ų6573.9 Ų73.940%0.39941%0.406SS..SBendtrans-67.2144.2179.879.40000110.4G103 K107 D108 R109G103-T105 PolarHBondContact O-N 3.28Å; G103-T105 VanDerWaalsContact O-N 3.13Å; T105-K107 PolarHBondContact O-N 2.88Å; T105-K107 VanDerWaalsContact O-N 3.12Å; T105-D108 PolarHBondContact O-N 3.38Å; T105-D108 VanDerWaalsContact O-N 3.11Å; T105-D108 WeakPolarHBondContact OG1-CB 3.45Å; T105-D108 PolarHBondContact OG1-N 3.29Å; T105-D108 VanDerWaalsContact OG1-N 3.16Å; T105-D108 PolarHBondContact OG1-OD2 3.12Å; T105-R109 PolarHBondContact O-N 3.07Å
106P71.7Confident72.2Confident108 Ų10873.7 Ų73.770%0.70140%0.399SS*.Hα-helixtrans-60.6-25.9179.322.9-33.4000112.7A110P106-A110 WeakPolarHBondContact O-CB 3.45Å; P106-A110 PolarHBondContact O-N 3.43Å; P106-A110 VanDerWaalsContact O-N 3.15Å
107K73.9Confident72.8Confident169 Ų16973.1 Ų73.174%0.73539%0.388SS*.Hα-helixtrans-72.3-44.8175.3-67.7-174.9178.8-179.50111.8T105 R109 A110 L111T105-K107 PolarHBondContact O-N 2.88Å; T105-K107 VanDerWaalsContact O-N 3.12Å; K107-R109 VanDerWaalsContact C-N 3.35Å; K107-A110 PolarHBondContact O-N 3.14Å; K107-L111 WeakPolarHBondContact O-CG 3.4Å; K107-L111 PolarHBondContact O-N 2.92Å
108D73.8Confident73.4Confident27 Ų2771.6 Ų71.614%0.14437%0.371CS..Hα-helixtrans-67.9-37.2179.3-63.4-35.2000111.2G103 T105 L111 F112G103-D108 WeakPolarHBondContact O-CB 3.38Å; T105-D108 PolarHBondContact O-N 3.38Å; T105-D108 VanDerWaalsContact O-N 3.11Å; T105-D108 WeakPolarHBondContact OG1-CB 3.45Å; T105-D108 PolarHBondContact OG1-N 3.29Å; T105-D108 VanDerWaalsContact OG1-N 3.16Å; T105-D108 PolarHBondContact OG1-OD2 3.12Å; D108-L111 PolarHBondContact O-N 3.03Å; D108-F112 WeakPolarHBondContact O-CB 3.43Å; D108-F112 PolarHBondContact O-N 3.37Å
109R73.3Confident74Confident139 Ų13965.9 Ų65.953%0.52535%0.346SS..Hα-helixtrans-63.5-40.3172.4-70.1-173.9177.9-171.41.3112.8D104 T105 K107 F112 N113D104-R109 IonicContact OD1-CZ 3.77Å; D104-R109 IonicContact OD1-NE 3.23Å; D104-R109 IonicContact OD1-NH2 3.75Å; D104-R109 PolarHBondContact OD1-NH2 3.05Å; T105-R109 PolarHBondContact O-N 3.07Å; K107-R109 VanDerWaalsContact C-N 3.35Å; R109-F112 PolarHBondContact O-N 3.19Å; R109-N113 VanDerWaalsContact O-CG 3.26Å; R109-N113 PolarHBondContact O-N 3.36Å; R109-N113 PolarHBondContact O-OD1 2.92Å
110A73.8Confident74.6Confident45 Ų4559.8 Ų59.837%0.37232%0.315SS..Hα-helixtrans-64.8-41.9175.200000111.7P106 K107 N113 G114P106-A110 WeakPolarHBondContact O-CB 3.45Å; P106-A110 PolarHBondContact O-N 3.43Å; P106-A110 VanDerWaalsContact O-N 3.15Å; K107-A110 PolarHBondContact O-N 3.14Å; A110-N113 PolarHBondContact O-N 3.33Å; A110-G114 PolarHBondContact O-N 2.86Å
111L76Confident75.5Confident30 Ų3059.4 Ų59.416%0.15731%0.313CS..Hα-helixtrans-65.5-39.1175.8-70.5170.8000112.3L6 K10 K107 D108 G114 A115L6-L111 HydrophobicContact CB-CD1 4.37Å; L6-L111 HydrophobicContact CD2-CB 3.92Å; K10-L111 HydrophobicContact CG-CD2 3.74Å; K107-L111 WeakPolarHBondContact O-CG 3.4Å; K107-L111 PolarHBondContact O-N 2.92Å; D108-L111 PolarHBondContact O-N 3.03Å; L111-G114 PolarHBondContact O-N 3.13Å; L111-A115 VanDerWaalsContact O-CB 3.26Å; L111-A115 WeakPolarHBondContact O-CB 3.42Å; L111-A115 PolarHBondContact O-N 2.96Å
112F78.1Confident76.7Confident28 Ų2855.5 Ų55.512%0.12330%0.297CS..Hα-helixtrans-61.7-46.4175.3-175.9-94.8000111.5M91 A95 V102 D108 R109 A115 Q116M91-F112 HydrophobicContact CB-CE1 4.31Å; M91-F112 HydrophobicContact CB-CE2 3.9Å; M91-F112 HydrophobicContact CB-CZ 3.58Å; A95-F112 HydrophobicContact CB-CE2 4.24Å; V102-F112 HydrophobicContact CG1-CB 4.15Å; V102-F112 HydrophobicContact CG1-CD2 4.26Å; V102-F112 HydrophobicContact CG1-CG 4.33Å; V102-F112 HydrophobicContact CG2-CD2 3.52Å; V102-F112 HydrophobicContact CG2-CE2 3.86Å; V102-F112 HydrophobicContact CG2-CG 4.37Å; D108-F112 WeakPolarHBondContact O-CB 3.43Å; D108-F112 PolarHBondContact O-N 3.37Å; R109-F112 PolarHBondContact O-N 3.19Å; F112-A115 PolarHBondContact O-N 3.3Å; F112-Q116 WeakPolarHBondContact O-CB 3.43Å; F112-Q116 PolarHBondContact O-N 3.3Å
113N77.1Confident77.8Confident78 Ų7854.6 Ų54.642%0.41729%0.29SS..Hα-helixtrans-63.9-43.6176.6-68.3-4.2000111.8R109 A110 A115 Q116 K117R109-N113 VanDerWaalsContact O-CG 3.26Å; R109-N113 PolarHBondContact O-N 3.36Å; R109-N113 PolarHBondContact O-OD1 2.92Å; A110-N113 PolarHBondContact O-N 3.33Å; N113-A115 VanDerWaalsContact C-N 3.34Å; N113-A115 PolarHBondContact O-N 2.89Å; N113-Q116 PolarHBondContact O-N 3.31Å; N113-K117 PolarHBondContact O-N 3.3Å
114G78.3Confident79Confident15 Ų1553.4 Ų53.416%0.15528%0.277CS..Hα-helixtrans-61.7-41175.800000112.5A110 L111 K117 L118A110-G114 PolarHBondContact O-N 2.86Å; L111-G114 PolarHBondContact O-N 3.13Å; G114-K117 PolarHBondContact O-N 2.94Å; G114-L118 WeakPolarHBondContact O-CB 3.24Å; G114-L118 PolarHBondContact O-N 3.07Å
115A81.1Confident80.1Confident0 Ų050.3 Ų50.30%026%0.26CS..Hα-helixtrans-67.8-42.817600000112I9 M91 L111 F112 N113 K117 L118 F119I9-A115 HydrophobicContact CD1-CB 3.94Å; I9-A115 HydrophobicContact CG2-CB 4.21Å; M91-A115 HydrophobicContact CE-CB 3.31Å; L111-A115 VanDerWaalsContact O-CB 3.26Å; L111-A115 WeakPolarHBondContact O-CB 3.42Å; L111-A115 PolarHBondContact O-N 2.96Å; F112-A115 PolarHBondContact O-N 3.3Å; N113-A115 VanDerWaalsContact C-N 3.34Å; N113-A115 PolarHBondContact O-N 2.89Å; A115-K117 VanDerWaalsContact C-N 3.26Å; A115-K117 PolarHBondContact O-N 2.91Å; A115-L118 PolarHBondContact O-N 2.69Å; A115-F119 WeakPolarHBondContact O-CD2 3.05Å; A115-F119 PolarHBondContact O-N 3.13Å
116Q80.8Confident80.6Confident30 Ų3048.9 Ų48.914%0.1426%0.258CS..Hα-helixtrans-57.2-43.1175.2-176.9-178.7-21.800110.8S87 G88 M91 F112 N113 F119 G120S87-Q116 WeakPolarHBondContact CB-O 3.29Å; G88-Q116 VanDerWaalsContact CA-NE2 3.27Å; M91-Q116 HydrophobicContact CG-CB 4.11Å; M91-Q116 HydrophobicContact CG-CG 4.31Å; F112-Q116 WeakPolarHBondContact O-CB 3.43Å; F112-Q116 PolarHBondContact O-N 3.3Å; N113-Q116 PolarHBondContact O-N 3.31Å; Q116-F119 PolarHBondContact O-N 2.96Å; Q116-G120 PolarHBondContact O-N 3.25Å
117K81.4Confident81.1Confident23 Ų2345.9 Ų45.910%0.124%0.235CC..Hα-helixtrans-64-44.2175.7-175.1177.3-176.3164.10112.7P17 N113 G114 A115 F119 G120 M121 E167P17-K117 PolarHBondContact O-NZ 2.76Å; N113-K117 PolarHBondContact O-N 3.3Å; G114-K117 PolarHBondContact O-N 2.94Å; A115-K117 VanDerWaalsContact C-N 3.26Å; A115-K117 PolarHBondContact O-N 2.91Å; K117-F119 VanDerWaalsContact C-N 3.33Å; K117-F119 PolarHBondContact O-N 3.02Å; K117-G120 CarbonylContact O-C 3.51Å; K117-G120 WeakPolarHBondContact O-CA 3.39Å; K117-G120 PolarHBondContact O-N 2.96Å; K117-G120 VanDerWaalsContact O-N 3.11Å; K117-M121 HydrophobicContact CG-CE 3.97Å; K117-M121 PolarHBondContact O-N 2.86Å; K117-E167 IonicContact NZ-OE2 3.33Å; K117-E167 PolarHBondContact NZ-OE2 2.76Å
118L84.4Confident81.5Confident25 Ų2537.9 Ų37.913%0.13120%0.2CC..Hα-helixtrans-59.7-45.9177.5-170.9146.6000111I9 F12 L16 G114 A115 G120 M121 I122I9-L118 HydrophobicContact CG2-CD1 4.18Å; F12-L118 HydrophobicContact CB-CD1 3.38Å; F12-L118 HydrophobicContact CG-CD1 4.24Å; L16-L118 HydrophobicContact CD1-CB 3.94Å; L16-L118 HydrophobicContact CD1-CD1 4.29Å; L16-L118 HydrophobicContact CD1-CG 4.49Å; G114-L118 WeakPolarHBondContact O-CB 3.24Å; G114-L118 PolarHBondContact O-N 3.07Å; A115-L118 PolarHBondContact O-N 2.69Å; L118-G120 VanDerWaalsContact C-N 3.32Å; L118-G120 PolarHBondContact O-N 3.34Å; L118-M121 PolarHBondContact O-N 3.25Å; L118-I122 HydrophobicContact CD2-CD1 3.43Å; L118-I122 VanDerWaalsContact CD2-CD1 3.43Å; L118-I122 HydrophobicContact CD2-CG1 4.21Å; L118-I122 HydrophobicContact CG-CD1 4.49Å; L118-I122 WeakPolarHBondContact O-CG1 3.46Å; L118-I122 PolarHBondContact O-N 3.08Å
119F83.6Confident81.9Confident54 Ų5439.7 Ų39.724%0.23721%0.209CC..Hα-helixtrans-61.2-41.2172.6-80.3-67.6000111.8F5 M91 A115 Q116 K117 M121 I122 I123F5-F119 HydrophobicContact CE1-CE2 4.09Å; F5-F119 HydrophobicContact CE1-CZ 4.01Å; F5-F119 HydrophobicContact CZ-CZ 4.01Å; M91-F119 HydrophobicContact CE-CD2 3.68Å; M91-F119 HydrophobicContact CE-CE2 3.77Å; M91-F119 HydrophobicContact CG-CD2 4.42Å; M91-F119 HydrophobicContact SD-CD2 3.74Å; M91-F119 HydrophobicContact SD-CE2 3.81Å; A115-F119 WeakPolarHBondContact O-CD2 3.05Å; A115-F119 PolarHBondContact O-N 3.13Å; Q116-F119 PolarHBondContact O-N 2.96Å; K117-F119 VanDerWaalsContact C-N 3.33Å; K117-F119 PolarHBondContact O-N 3.02Å; F119-M121 VanDerWaalsContact C-N 3.32Å; F119-M121 PolarHBondContact O-N 3.4Å; F119-I122 PolarHBondContact O-N 2.78Å; F119-I123 WeakPolarHBondContact O-CB 3.43Å; F119-I123 WeakPolarHBondContact O-CD1 3.48Å; F119-I123 WeakPolarHBondContact O-CG1 3.25Å; F119-I123 PolarHBondContact O-N 3.47Å
120G85Confident82.3Confident0 Ų037 Ų370%021%0.208CC..Hα-helixtrans-54.1-46.4173.100000112.5Q116 K117 L118 I123 T124Q116-G120 PolarHBondContact O-N 3.25Å; K117-G120 CarbonylContact O-C 3.51Å; K117-G120 WeakPolarHBondContact O-CA 3.39Å; K117-G120 PolarHBondContact O-N 2.96Å; K117-G120 VanDerWaalsContact O-N 3.11Å; L118-G120 VanDerWaalsContact C-N 3.32Å; L118-G120 PolarHBondContact O-N 3.34Å; G120-I123 PolarHBondContact O-N 3.19Å; G120-T124 WeakPolarHBondContact O-CG2 3.41Å; G120-T124 PolarHBondContact O-N 2.94Å
121M86.2Confident82.4Confident21 Ų2136.1 Ų36.110%0.10320%0.195CC..Hα-helixtrans-69.7-36.4177-79.1178.8-66.100113.9L16 K117 L118 F119 I123 T124 I125 L160 L163L16-M121 HydrophobicContact CB-CE 4.44Å; L16-M121 HydrophobicContact CD1-CE 3.75Å; L16-M121 HydrophobicContact CD2-CE 3.2Å; L16-M121 HydrophobicContact CD2-SD 4.28Å; L16-M121 HydrophobicContact CG-CE 3.93Å; K117-M121 HydrophobicContact CG-CE 3.97Å; K117-M121 PolarHBondContact O-N 2.86Å; L118-M121 PolarHBondContact O-N 3.25Å; F119-M121 VanDerWaalsContact C-N 3.32Å; F119-M121 PolarHBondContact O-N 3.4Å; M121-I123 VanDerWaalsContact C-N 3.31Å; M121-T124 WeakPolarHBondContact CA-OG1 2.97Å; M121-T124 PolarHBondContact O-N 3.43Å; M121-T124 PolarHBondContact O-OG1 3.14Å; M121-I125 WeakPolarHBondContact O-CG1 3.31Å; M121-I125 PolarHBondContact O-N 3.34Å; M121-I125 VanDerWaalsContact O-N 3.15Å; M121-L160 HydrophobicContact SD-CD1 4.41Å; M121-L163 HydrophobicContact CG-CD1 3.8Å
122I87.4Confident82.4Confident97 Ų9735.1 Ų35.150%0.49719%0.19SC..Hα-helixtrans-65.6-41.2174.9-68.8176.9000109.9L118 F119 I125 G126L118-I122 HydrophobicContact CD2-CD1 3.43Å; L118-I122 VanDerWaalsContact CD2-CD1 3.43Å; L118-I122 HydrophobicContact CD2-CG1 4.21Å; L118-I122 HydrophobicContact CG-CD1 4.49Å; L118-I122 WeakPolarHBondContact O-CG1 3.46Å; L118-I122 PolarHBondContact O-N 3.08Å; F119-I122 PolarHBondContact O-N 2.78Å; I122-I125 PolarHBondContact O-N 3.25Å; I122-G126 PolarHBondContact O-N 3.12Å
123I85.9Confident82.2Confident32 Ų3240.4 Ų40.416%0.16422%0.217CC..Hα-helixtrans-67.9-39.7178.1-65.9166.1000110.8P83 I90 F119 G120 M121 I125 G126 Q127P83-I123 HydrophobicContact CB-CB 4.29Å; P83-I123 HydrophobicContact CB-CG2 3.97Å; I90-I123 HydrophobicContact CD1-CD1 4.27Å; F119-I123 WeakPolarHBondContact O-CB 3.43Å; F119-I123 WeakPolarHBondContact O-CD1 3.48Å; F119-I123 WeakPolarHBondContact O-CG1 3.25Å; F119-I123 PolarHBondContact O-N 3.47Å; G120-I123 PolarHBondContact O-N 3.19Å; M121-I123 VanDerWaalsContact C-N 3.31Å; I123-I125 PolarHBondContact O-N 2.91Å; I123-G126 PolarHBondContact O-N 3.04Å; I123-Q127 HydrophobicContact CG2-CG 4.03Å; I123-Q127 VanDerWaalsContact O-CB 3.3Å; I123-Q127 WeakPolarHBondContact O-CB 3.4Å; I123-Q127 WeakPolarHBondContact O-CG 3.49Å; I123-Q127 PolarHBondContact O-N 3.11Å
124T86.8Confident81.9Confident1 Ų140.8 Ų40.81%0.00622%0.222CC..Hα-helixtrans-59.3-46.3174.954.30000111.1P83 G120 M121 S128 L163P83-T124 HydrophobicContact CB-CG2 3.47Å; P83-T124 VanDerWaalsContact CB-CG2 3.47Å; P83-T124 HydrophobicContact CG-CG2 3.49Å; P83-T124 VanDerWaalsContact CG-CG2 3.49Å; G120-T124 WeakPolarHBondContact O-CG2 3.41Å; G120-T124 PolarHBondContact O-N 2.94Å; M121-T124 WeakPolarHBondContact CA-OG1 2.97Å; M121-T124 PolarHBondContact O-N 3.43Å; M121-T124 PolarHBondContact O-OG1 3.14Å; T124-S128 VanDerWaalsContact O-CB 3.29Å; T124-S128 WeakPolarHBondContact O-CB 3.35Å; T124-S128 PolarHBondContact O-N 2.87Å; T124-S128 PolarHBondContact O-OG 3.27Å; T124-L163 HydrophobicContact CG2-CD1 4.09Å
125I88.2Confident81.3Confident70 Ų7041.2 Ų41.236%0.35923%0.226SC..Hα-helixtrans-62.3-50178-66.4169.1000110M121 I122 I123 Q127 S128 I129 F156M121-I125 WeakPolarHBondContact O-CG1 3.31Å; M121-I125 PolarHBondContact O-N 3.34Å; M121-I125 VanDerWaalsContact O-N 3.15Å; I122-I125 PolarHBondContact O-N 3.25Å; I123-I125 PolarHBondContact O-N 2.91Å; I125-Q127 PolarHBondContact O-N 2.92Å; I125-S128 PolarHBondContact O-N 3.42Å; I125-I129 HydrophobicContact CG2-CD1 3.77Å; I125-I129 VanDerWaalsContact O-CG1 3.31Å; I125-I129 WeakPolarHBondContact O-CG1 3.48Å; I125-I129 PolarHBondContact O-N 3.15Å; I125-F156 HydrophobicContact CD1-CD2 4.04Å; I125-F156 HydrophobicContact CD1-CE2 3.53Å; I125-F156 HydrophobicContact CD1-CZ 4.13Å; I125-F156 HydrophobicContact CG1-CD2 3.3Å; I125-F156 HydrophobicContact CG1-CE2 3.31Å; I125-F156 HydrophobicContact CG1-CG 4.29Å; I125-F156 HydrophobicContact CG1-CZ 4.3Å
126G85.4Confident80.5Confident34 Ų3442.6 Ų42.635%0.35123%0.233SC..Hα-helixtrans-59.8-47.3-179.400000112.7I122 I123 I129 V130I122-G126 PolarHBondContact O-N 3.12Å; I123-G126 PolarHBondContact O-N 3.04Å; G126-I129 PolarHBondContact O-N 2.87Å; G126-V130 VanDerWaalsContact O-CG2 3.28Å; G126-V130 WeakPolarHBondContact O-CG2 3.35Å; G126-V130 PolarHBondContact O-N 2.93Å
127Q81.7Confident79.6Confident46 Ų4641.6 Ų41.622%0.21523%0.228CC..Hα-helixtrans-65.4-40.4178.1-75.7-175.6-18.700112L79 S82 I123 I125 I129 V130 Y131L79-Q127 HydrophobicContact CD2-CB 3.54Å; L79-Q127 HydrophobicContact CG-CB 4.47Å; S82-Q127 PolarHBondContact OG-OE1 3.45Å; I123-Q127 HydrophobicContact CG2-CG 4.03Å; I123-Q127 VanDerWaalsContact O-CB 3.3Å; I123-Q127 WeakPolarHBondContact O-CB 3.4Å; I123-Q127 WeakPolarHBondContact O-CG 3.49Å; I123-Q127 PolarHBondContact O-N 3.11Å; I125-Q127 PolarHBondContact O-N 2.92Å; Q127-I129 PolarHBondContact O-N 3.42Å; Q127-V130 PolarHBondContact O-N 2.81Å; Q127-Y131 WeakPolarHBondContact O-CB 3.38Å; Q127-Y131 WeakPolarHBondContact O-CD2 3.35Å; Q127-Y131 PolarHBondContact O-N 3.5Å
128S82.4Confident78.7Confident0 Ų041.1 Ų41.10%023%0.23CC..Hα-helixtrans-62.1-43.1177.5-570000111.6T124 I125 V132T124-S128 VanDerWaalsContact O-CB 3.29Å; T124-S128 WeakPolarHBondContact O-CB 3.35Å; T124-S128 PolarHBondContact O-N 2.87Å; T124-S128 PolarHBondContact O-OG 3.27Å; I125-S128 PolarHBondContact O-N 3.42Å; S128-V132 WeakPolarHBondContact O-CG2 3.45Å; S128-V132 PolarHBondContact O-N 3.44Å; S128-V132 VanDerWaalsContact O-N 3.16Å
129I83.1Confident77.7Confident65 Ų6544.7 Ų44.733%0.33325%0.249SC..Hα-helixtrans-63.4-47.4175.7-67.3167.1000110.3I125 G126 Q127 Y131 V132 M133 I152I125-I129 HydrophobicContact CG2-CD1 3.77Å; I125-I129 VanDerWaalsContact O-CG1 3.31Å; I125-I129 WeakPolarHBondContact O-CG1 3.48Å; I125-I129 PolarHBondContact O-N 3.15Å; G126-I129 PolarHBondContact O-N 2.87Å; Q127-I129 PolarHBondContact O-N 3.42Å; I129-Y131 PolarHBondContact O-N 2.8Å; I129-V132 PolarHBondContact O-N 2.92Å; I129-M133 HydrophobicContact CG2-CG 4.11Å; I129-M133 HydrophobicContact CG2-SD 3.54Å; I129-M133 VanDerWaalsContact CG2-SD 3.54Å; I129-M133 VanDerWaalsContact O-CB 3.31Å; I129-M133 WeakPolarHBondContact O-CB 3.47Å; I129-M133 VanDerWaalsContact O-CG 3.25Å; I129-M133 WeakPolarHBondContact O-CG 3.42Å; I129-M133 PolarHBondContact O-N 3.34Å; I129-I152 HydrophobicContact CG1-CD1 4.33Å; I129-I152 HydrophobicContact CG1-CG2 4.35Å
130V81.6Confident76.7Confident83 Ų8344.9 Ų44.950%0.50326%0.256SS..Hα-helixtrans-62.3-43.1-179.5170.90000111.3G126 Q127 V132 M133 T134G126-V130 VanDerWaalsContact O-CG2 3.28Å; G126-V130 WeakPolarHBondContact O-CG2 3.35Å; G126-V130 PolarHBondContact O-N 2.93Å; Q127-V130 PolarHBondContact O-N 2.81Å; V130-V132 PolarHBondContact O-N 3.42Å; V130-M133 PolarHBondContact O-N 3.36Å; V130-T134 HydrophobicContact CG1-CG2 3.97Å; V130-T134 VanDerWaalsContact O-CB 3.3Å; V130-T134 WeakPolarHBondContact O-CB 3.43Å; V130-T134 WeakPolarHBondContact O-CG2 3.41Å; V130-T134 PolarHBondContact O-N 3.39Å; V130-T134 PolarHBondContact O-OG1 3.22Å
131Y75.1Confident75.6Confident26 Ų2650 Ų5010%0.10229%0.292CS..Hα-helixtrans-65-38.4179-74.4-33.8000113.3F62 L79 Q127 I129 T134 M136F62-Y131 HydrophobicContact CD2-CE1 4.48Å; F62-Y131 AromaticContact CE2-CE1 3.93Å; F62-Y131 HydrophobicContact CE2-CE1 3.93Å; F62-Y131 HydrophobicContact CZ-CE1 4.49Å; L79-Y131 HydrophobicContact CG-CD2 4.38Å; L79-Y131 HydrophobicContact CG-CE2 4.28Å; Q127-Y131 WeakPolarHBondContact O-CB 3.38Å; Q127-Y131 WeakPolarHBondContact O-CD2 3.35Å; Q127-Y131 PolarHBondContact O-N 3.5Å; I129-Y131 PolarHBondContact O-N 2.8Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.42Å; Y131-T134 PolarHBondContact O-OG1 2.92Å; Y131-T134 VanDerWaalsContact O-OG1 3.13Å; Y131-M136 HydrophobicContact CD1-CE 4.49Å; Y131-M136 HydrophobicContact CD1-SD 3.53Å; Y131-M136 VanDerWaalsContact CD1-SD 3.53Å; Y131-M136 HydrophobicContact CE1-SD 3.92Å; Y131-M136 HydrophobicContact CG-SD 4.38Å
132V76.9Confident74.6Confident9 Ų956.8 Ų56.86%0.05532%0.323CS..Hα-helixtrans-72-40.5175.31760000111.4S128 I129 V130 G135 Y137 C148 I151 I152S128-V132 WeakPolarHBondContact O-CG2 3.45Å; S128-V132 PolarHBondContact O-N 3.44Å; S128-V132 VanDerWaalsContact O-N 3.16Å; I129-V132 PolarHBondContact O-N 2.92Å; V130-V132 PolarHBondContact O-N 3.42Å; V132-G135 PolarHBondContact O-N 3.03Å; V132-Y137 HydrophobicContact CG2-CD2 4.15Å; V132-Y137 HydrophobicContact CG2-CE2 4.18Å; V132-C148 HydrophobicContact CG1-CB 3.7Å; V132-I151 HydrophobicContact CG2-CB 4.31Å; V132-I151 HydrophobicContact CG2-CG2 3.73Å; V132-I152 HydrophobicContact CB-CD1 4.39Å; V132-I152 HydrophobicContact CB-CG1 4.13Å; V132-I152 HydrophobicContact CG1-CD1 4.39Å; V132-I152 HydrophobicContact CG1-CG1 4.41Å; V132-I152 HydrophobicContact CG2-CG1 3.83Å
133M73.3Confident73.4Confident140 Ų14052.9 Ų52.969%0.6930%0.303SS*.Hα-helixtrans-72.8-27.9179.9-71.9-173.770.300114I129 V130 G135I129-M133 HydrophobicContact CG2-CG 4.11Å; I129-M133 HydrophobicContact CG2-SD 3.54Å; I129-M133 VanDerWaalsContact CG2-SD 3.54Å; I129-M133 VanDerWaalsContact O-CB 3.31Å; I129-M133 WeakPolarHBondContact O-CB 3.47Å; I129-M133 VanDerWaalsContact O-CG 3.25Å; I129-M133 WeakPolarHBondContact O-CG 3.42Å; I129-M133 PolarHBondContact O-N 3.34Å; V130-M133 PolarHBondContact O-N 3.36Å; M133-G135 PolarHBondContact O-N 2.67Å
134T70.9Confident72.5Confident86 Ų8653 Ų5353%0.52831%0.312SS..THydrogen-bonded Turntrans-74.6-0.3176.947.60000113V130 Y131 M136V130-T134 HydrophobicContact CG1-CG2 3.97Å; V130-T134 VanDerWaalsContact O-CB 3.3Å; V130-T134 WeakPolarHBondContact O-CB 3.43Å; V130-T134 WeakPolarHBondContact O-CG2 3.41Å; V130-T134 PolarHBondContact O-N 3.39Å; V130-T134 PolarHBondContact O-OG1 3.22Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.42Å; Y131-T134 PolarHBondContact O-OG1 2.92Å; Y131-T134 VanDerWaalsContact O-OG1 3.13Å; T134-M136 VanDerWaalsContact C-N 3.26Å; T134-M136 PolarHBondContact O-N 3.43Å
135G65.1Low72Confident23 Ų2357 Ų5724%0.23735%0.345CS..THydrogen-bonded Turntrans73.616175.700000113.7V132 M133 Y137 G138V132-G135 PolarHBondContact O-N 3.03Å; M133-G135 PolarHBondContact O-N 2.67Å; G135-Y137 PolarHBondContact O-N 3.44Å; G135-Y137 VanDerWaalsContact O-N 3.07Å; G135-G138 WeakPolarHBondContact CA-O 3.17Å; G135-G138 PolarHBondContact O-N 3.01Å; G135-G138 VanDerWaalsContact O-N 3.1Å
136M65Low71.5Confident30 Ų3056.4 Ų56.415%0.14836%0.356CS..THydrogen-bonded Turntrans-59.2-22.6-179.4-79.2-170.750.400113.5F62 Y131 T134F62-M136 HydrophobicContact CD2-SD 4.49Å; F62-M136 HydrophobicContact CE2-SD 4.19Å; Y131-M136 HydrophobicContact CD1-CE 4.49Å; Y131-M136 HydrophobicContact CD1-SD 3.53Å; Y131-M136 VanDerWaalsContact CD1-SD 3.53Å; Y131-M136 HydrophobicContact CE1-SD 3.92Å; Y131-M136 HydrophobicContact CG-SD 4.38Å; T134-M136 VanDerWaalsContact C-N 3.26Å; T134-M136 PolarHBondContact O-N 3.43Å
137Y62.5Low71.3Confident8 Ų857.9 Ų57.93%0.03136%0.355CS..THydrogen-bonded Turntrans-104.8-4.2-179.2-57.9-68.3000114.3L50 I53 E78 V132 G135 I151L50-Y137 HydrophobicContact CD1-CE1 4.12Å; I53-Y137 HydrophobicContact CG1-CD1 4.33Å; E78-Y137 VanDerWaalsContact CG-OH 3.25Å; E78-Y137 WeakPolarHBondContact CG-OH 3.45Å; E78-Y137 WeakPolarHBondContact OE2-CE1 3.49Å; E78-Y137 PolarHBondContact OE2-OH 2.92Å; V132-Y137 HydrophobicContact CG2-CD2 4.15Å; V132-Y137 HydrophobicContact CG2-CE2 4.18Å; G135-Y137 PolarHBondContact O-N 3.44Å; G135-Y137 VanDerWaalsContact O-N 3.07Å; Y137-I151 HydrophobicContact CE2-CG2 4.5Å
138G62.3Low71Confident13 Ų1356.3 Ų56.313%0.13435%0.349CS..SBendtrans132.8159.2-16900000111.3G135G135-G138 WeakPolarHBondContact CA-O 3.17Å; G135-G138 PolarHBondContact O-N 3.01Å; G135-G138 VanDerWaalsContact O-N 3.1Å
139D63.4Low71.1Confident100 Ų10061.3 Ų61.354%0.53538%0.376SS..  trans-65.2130.2177-88.2-48.6000110.4S141 E142 M143D139-S141 PolarHBondContact O-N 3.24Å; D139-E142 HydrophobicContact CB-CG 4.5Å; D139-E142 PolarHBondContact O-N 3.01Å; D139-M143 PolarHBondContact O-N 3.41Å
140P62Low71.2Confident59 Ų5961.9 Ų61.938%0.38338%0.379SS..Hα-helixtrans-56.2-22.1-178.3-27.134.1000114.5
141S61.7Low71.3Confident108 Ų10858 Ų5876%0.75536%0.355SS*.Hα-helixtrans-75.8-26.8176.6420000114.1D139D139-S141 PolarHBondContact O-N 3.24Å
142E64.9Low71.8Confident163 Ų16358.8 Ų58.876%0.76236%0.361SS*.Hα-helixtrans-93.6-31.9-179.9-63.5-170.9164.100112.3D139 G144D139-E142 HydrophobicContact CB-CG 4.5Å; D139-E142 PolarHBondContact O-N 3.01Å; E142-G144 VanDerWaalsContact C-N 3.35Å; E142-G144 PolarHBondContact O-N 2.88Å
143M62.2Low72.4Confident15 Ų1562.9 Ų62.97%0.07438%0.381CS..Hα-helixtrans-74.9-21.6179.8-68.7178.370.200113.8D139 I147 I151D139-M143 PolarHBondContact O-N 3.41Å; M143-I147 HydrophobicContact CE-CG2 4.14Å; M143-I147 WeakPolarHBondContact O-CB 3.28Å; M143-I147 WeakPolarHBondContact O-CD1 3.44Å; M143-I151 HydrophobicContact CE-CD1 3.38Å
144G68.5Low73.1Confident34 Ų3458.2 Ų58.235%0.35136%0.358SS..  trans73.6137.5-172.900000112.8E142 G146 I147 C148E142-G144 VanDerWaalsContact C-N 3.35Å; E142-G144 PolarHBondContact O-N 2.88Å; G144-G146 PolarHBondContact O-N 2.91Å; G144-I147 PolarHBondContact O-N 2.89Å; G144-I147 VanDerWaalsContact O-N 3.11Å; G144-C148 PolarHBondContact O-N 2.82Å
145A75Confident73.8Confident85 Ų8554.1 Ų54.170%0.70233%0.333SS*.Hα-helixtrans-56.6-26.9-174.500000114.2L149A145-L149 WeakPolarHBondContact O-CB 3.26Å; A145-L149 PolarHBondContact O-N 3.48Å
146G79.1Confident74.9Confident58 Ų5855.8 Ų55.860%0.59833%0.334SS*.Hα-helixtrans-68.3-41.6177.700000114G144 L150G144-G146 PolarHBondContact O-N 2.91Å; G146-L150 PolarHBondContact O-N 3.17Å; G146-L150 VanDerWaalsContact O-N 3.08Å
147I79.6Confident76Confident64 Ų6457.9 Ų57.933%0.32835%0.348SS..Hα-helixtrans-72.8-41.5178.7-64.6176.7000109.7M143 G144 L149 L150 I151M143-I147 HydrophobicContact CE-CG2 4.14Å; M143-I147 WeakPolarHBondContact O-CB 3.28Å; M143-I147 WeakPolarHBondContact O-CD1 3.44Å; G144-I147 PolarHBondContact O-N 2.89Å; G144-I147 VanDerWaalsContact O-N 3.11Å; I147-L149 VanDerWaalsContact C-N 3.31Å; I147-L149 PolarHBondContact O-N 3.5Å; I147-L150 PolarHBondContact O-N 3.3Å; I147-L150 VanDerWaalsContact O-N 3.13Å; I147-I151 HydrophobicContact CG2-CD1 4.06Å; I147-I151 HydrophobicContact CG2-CG1 4.49Å; I147-I151 WeakPolarHBondContact O-CG1 3.44Å; I147-I151 PolarHBondContact O-N 3.21Å
148C76.6Confident77.2Confident13 Ų1357.9 Ų57.99%0.08835%0.349CS..Hα-helixtrans-56.6-44.2173.8-67.60000112V132 G144 L150 I151 I152V132-C148 HydrophobicContact CG1-CB 3.7Å; G144-C148 PolarHBondContact O-N 2.82Å; C148-L150 VanDerWaalsContact C-N 3.35Å; C148-I151 PolarHBondContact O-N 2.83Å; C148-I152 WeakPolarHBondContact O-CG1 3.44Å; C148-I152 PolarHBondContact O-N 3.37Å; C148-I152 VanDerWaalsContact O-N 3.1Å
149L83.4Confident78.4Confident106 Ų10657.6 Ų57.656%0.55535%0.347SS*.Hα-helixtrans-66.2-37177.2-173.4138.9000112.1A145 I147 I152 I153A145-L149 WeakPolarHBondContact O-CB 3.26Å; A145-L149 PolarHBondContact O-N 3.48Å; I147-L149 VanDerWaalsContact C-N 3.31Å; I147-L149 PolarHBondContact O-N 3.5Å; L149-I152 PolarHBondContact O-N 3.42Å; L149-I153 HydrophobicContact CD2-CD1 3.59Å; L149-I153 HydrophobicContact CD2-CG1 4.47Å; L149-I153 HydrophobicContact CG-CD1 4.44Å; L149-I153 WeakPolarHBondContact O-CG1 3.19Å; L149-I153 PolarHBondContact O-N 2.7Å
150L85.7Confident79.6Confident76 Ų7654.9 Ų54.940%0.39833%0.332SS..Hα-helixtrans-65.5-42.1176.1-164.9151.8000111.7F51 G146 I147 C148 I152 I153 Q154F51-L150 HydrophobicContact CB-CD2 4.22Å; F51-L150 HydrophobicContact CD1-CD2 3.89Å; F51-L150 HydrophobicContact CG-CD2 4.38Å; G146-L150 PolarHBondContact O-N 3.17Å; G146-L150 VanDerWaalsContact O-N 3.08Å; I147-L150 PolarHBondContact O-N 3.3Å; I147-L150 VanDerWaalsContact O-N 3.13Å; C148-L150 VanDerWaalsContact C-N 3.35Å; L150-I152 PolarHBondContact O-N 3.29Å; L150-I153 PolarHBondContact O-N 2.92Å; L150-Q154 WeakPolarHBondContact O-CB 3.29Å; L150-Q154 PolarHBondContact O-N 3.38Å
151I83.4Confident80.8Confident1 Ų155.3 Ų55.31%0.00533%0.33CS..Hα-helixtrans-61.1-44.6175.1-67.1167.8000110.6F51 V132 Y137 M143 I147 C148 I153 Q154 L155F51-I151 VanDerWaalsContact O-CG1 3.26Å; F51-I151 WeakPolarHBondContact O-CG1 3.39Å; V132-I151 HydrophobicContact CG2-CB 4.31Å; V132-I151 HydrophobicContact CG2-CG2 3.73Å; Y137-I151 HydrophobicContact CE2-CG2 4.5Å; M143-I151 HydrophobicContact CE-CD1 3.38Å; I147-I151 HydrophobicContact CG2-CD1 4.06Å; I147-I151 HydrophobicContact CG2-CG1 4.49Å; I147-I151 WeakPolarHBondContact O-CG1 3.44Å; I147-I151 PolarHBondContact O-N 3.21Å; C148-I151 PolarHBondContact O-N 2.83Å; I151-I153 VanDerWaalsContact C-N 3.33Å; I151-I153 PolarHBondContact O-N 3.38Å; I151-Q154 PolarHBondContact O-N 3.02Å; I151-L155 HydrophobicContact CG2-CD1 3.8Å; I151-L155 HydrophobicContact CG2-CG 4.18Å; I151-L155 WeakPolarHBondContact O-CB 3.43Å; I151-L155 WeakPolarHBondContact O-CG 3.39Å; I151-L155 PolarHBondContact O-N 3.34Å
152I86.2Confident82.1Confident44 Ų4450.3 Ų50.323%0.22630%0.295CS..Hα-helixtrans-59.1-45.4177.5-66.9167.2000110.7I129 V132 C148 L149 L150 F156I129-I152 HydrophobicContact CG1-CD1 4.33Å; I129-I152 HydrophobicContact CG1-CG2 4.35Å; V132-I152 HydrophobicContact CB-CD1 4.39Å; V132-I152 HydrophobicContact CB-CG1 4.13Å; V132-I152 HydrophobicContact CG1-CD1 4.39Å; V132-I152 HydrophobicContact CG1-CG1 4.41Å; V132-I152 HydrophobicContact CG2-CG1 3.83Å; C148-I152 WeakPolarHBondContact O-CG1 3.44Å; C148-I152 PolarHBondContact O-N 3.37Å; C148-I152 VanDerWaalsContact O-N 3.1Å; L149-I152 PolarHBondContact O-N 3.42Å; L150-I152 PolarHBondContact O-N 3.29Å; I152-F156 VanDerWaalsContact O-CB 3.27Å; I152-F156 WeakPolarHBondContact O-CB 3.21Å; I152-F156 PolarHBondContact O-N 3.4Å
153I89.2Confident83.1Confident94 Ų9443.1 Ų43.148%0.48226%0.262SS..Hα-helixtrans-64.3-43.6177.8-68.6172.4000110.8L149 L150 I151 F156 V157L149-I153 HydrophobicContact CD2-CD1 3.59Å; L149-I153 HydrophobicContact CD2-CG1 4.47Å; L149-I153 HydrophobicContact CG-CD1 4.44Å; L149-I153 WeakPolarHBondContact O-CG1 3.19Å; L149-I153 PolarHBondContact O-N 2.7Å; L150-I153 PolarHBondContact O-N 2.92Å; I151-I153 VanDerWaalsContact C-N 3.33Å; I151-I153 PolarHBondContact O-N 3.38Å; I153-F156 PolarHBondContact O-N 3.25Å; I153-V157 HydrophobicContact CG2-CG2 4.29Å; I153-V157 WeakPolarHBondContact O-CB 3.34Å; I153-V157 VanDerWaalsContact O-CG2 3.29Å; I153-V157 WeakPolarHBondContact O-CG2 3.5Å; I153-V157 PolarHBondContact O-N 3.23Å
154Q88.3Confident84.3Confident42 Ų4244.5 Ų44.520%0.19627%0.269CS..Hα-helixtrans-62.2-45.7180-174.7173.5-0.800111.6L50 L76 L150 I151 V157 A158L50-Q154 HydrophobicContact CD2-CG 3.99Å; L76-Q154 HydrophobicContact CD2-CG 3.41Å; L76-Q154 VanDerWaalsContact CD2-CG 3.41Å; L150-Q154 WeakPolarHBondContact O-CB 3.29Å; L150-Q154 PolarHBondContact O-N 3.38Å; I151-Q154 PolarHBondContact O-N 3.02Å; Q154-V157 PolarHBondContact O-N 3.23Å; Q154-A158 WeakPolarHBondContact O-CB 3.37Å; Q154-A158 PolarHBondContact O-N 2.58Å
155L86.3Confident85.2Confident0 Ų043.7 Ų43.70%026%0.257CS..Hα-helixtrans-65.3-38.7175.5-70.3176.6000112.2L50 E78 L79 I151 G159L50-L155 HydrophobicContact CD1-CD2 3.96Å; L50-L155 HydrophobicContact CD2-CD2 3.6Å; L50-L155 HydrophobicContact CD2-CG 4.12Å; L50-L155 HydrophobicContact CG-CD2 4.41Å; E78-L155 HydrophobicContact CB-CD2 4.18Å; L79-L155 HydrophobicContact CD1-CB 3.78Å; L79-L155 HydrophobicContact CD1-CD1 4Å; L79-L155 HydrophobicContact CD1-CD2 3.79Å; L79-L155 HydrophobicContact CD1-CG 4.06Å; I151-L155 HydrophobicContact CG2-CD1 3.8Å; I151-L155 HydrophobicContact CG2-CG 4.18Å; I151-L155 WeakPolarHBondContact O-CB 3.43Å; I151-L155 WeakPolarHBondContact O-CG 3.39Å; I151-L155 PolarHBondContact O-N 3.34Å; L155-G159 PolarHBondContact O-N 3.39Å
156F87.5Confident85.7Confident59 Ų5940 Ų4026%0.25923%0.225SC..Hα-helixtrans-64.4-46176177.1-109.7000112.1I125 I152 I153 G159 L160I125-F156 HydrophobicContact CD1-CD2 4.04Å; I125-F156 HydrophobicContact CD1-CE2 3.53Å; I125-F156 HydrophobicContact CD1-CZ 4.13Å; I125-F156 HydrophobicContact CG1-CD2 3.3Å; I125-F156 HydrophobicContact CG1-CE2 3.31Å; I125-F156 HydrophobicContact CG1-CG 4.29Å; I125-F156 HydrophobicContact CG1-CZ 4.3Å; I152-F156 VanDerWaalsContact O-CB 3.27Å; I152-F156 WeakPolarHBondContact O-CB 3.21Å; I152-F156 PolarHBondContact O-N 3.4Å; I153-F156 PolarHBondContact O-N 3.25Å; F156-G159 PolarHBondContact O-N 2.92Å; F156-L160 HydrophobicContact CE1-CD1 4.29Å; F156-L160 HydrophobicContact CZ-CD1 4.15Å; F156-L160 WeakPolarHBondContact O-CB 3.27Å; F156-L160 PolarHBondContact O-N 3.27Å
157V89.4Confident86Confident74 Ų7438.2 Ų38.245%0.44820%0.201SC..Hα-helixtrans-63.9-44177.71720000110.6I153 Q154 L160 I161I153-V157 HydrophobicContact CG2-CG2 4.29Å; I153-V157 WeakPolarHBondContact O-CB 3.34Å; I153-V157 VanDerWaalsContact O-CG2 3.29Å; I153-V157 WeakPolarHBondContact O-CG2 3.5Å; I153-V157 PolarHBondContact O-N 3.23Å; Q154-V157 PolarHBondContact O-N 3.23Å; V157-L160 PolarHBondContact O-N 3.34Å; V157-I161 HydrophobicContact CG1-CD1 4.07Å; V157-I161 WeakPolarHBondContact O-CG1 3.22Å; V157-I161 PolarHBondContact O-N 2.73Å
158A87.5Confident86.3Confident7 Ų736.4 Ų36.46%0.05819%0.193CC..Hα-helixtrans-60.2-48.3175.300000111.6L76 Q154 L160 I161 V162L76-A158 HydrophobicContact CB-CB 4.11Å; L76-A158 HydrophobicContact CD2-CB 4.39Å; L76-A158 VanDerWaalsContact O-CB 3.24Å; L76-A158 WeakPolarHBondContact O-CB 3.21Å; Q154-A158 WeakPolarHBondContact O-CB 3.37Å; Q154-A158 PolarHBondContact O-N 2.58Å; A158-L160 VanDerWaalsContact C-N 3.29Å; A158-L160 PolarHBondContact O-N 3.13Å; A158-I161 WeakPolarHBondContact O-CB 3.49Å; A158-I161 PolarHBondContact O-N 3.01Å; A158-I161 VanDerWaalsContact O-N 3.15Å; A158-V162 WeakPolarHBondContact O-CG2 3.41Å; A158-V162 PolarHBondContact O-N 3.48Å
159G86.7Confident86.7Confident8 Ų835.9 Ų35.98%0.08219%0.189CC..Hα-helixtrans-60.2-36.8176.700000113.2L155 F156 V162 L163L155-G159 PolarHBondContact O-N 3.39Å; F156-G159 PolarHBondContact O-N 2.92Å; G159-V162 PolarHBondContact O-N 2.96Å; G159-L163 WeakPolarHBondContact O-CB 3.38Å; G159-L163 WeakPolarHBondContact O-CG 3.27Å; G159-L163 PolarHBondContact O-N 3.3Å
160L87.9Confident86.6Confident43 Ų4335.1 Ų35.123%0.22518%0.182CC..Hα-helixtrans-67.2-40.8175.4-171.1149.8000111.8M121 F156 V157 A158 L163 L164M121-L160 HydrophobicContact SD-CD1 4.41Å; F156-L160 HydrophobicContact CE1-CD1 4.29Å; F156-L160 HydrophobicContact CZ-CD1 4.15Å; F156-L160 WeakPolarHBondContact O-CB 3.27Å; F156-L160 PolarHBondContact O-N 3.27Å; V157-L160 PolarHBondContact O-N 3.34Å; A158-L160 VanDerWaalsContact C-N 3.29Å; A158-L160 PolarHBondContact O-N 3.13Å; L160-L163 PolarHBondContact O-N 3Å; L160-L164 HydrophobicContact CD2-CD1 3.52Å; L160-L164 HydrophobicContact CD2-CG 4.17Å; L160-L164 WeakPolarHBondContact O-CG 3.27Å; L160-L164 PolarHBondContact O-N 3.05Å
161I88.6Confident86.4Confident67 Ų6733.1 Ų33.134%0.34417%0.17SC..Hα-helixtrans-60.1-47.3174.5-68.4165000110.1V157 A158 L163 L164 L165V157-I161 HydrophobicContact CG1-CD1 4.07Å; V157-I161 WeakPolarHBondContact O-CG1 3.22Å; V157-I161 PolarHBondContact O-N 2.73Å; A158-I161 WeakPolarHBondContact O-CB 3.49Å; A158-I161 PolarHBondContact O-N 3.01Å; A158-I161 VanDerWaalsContact O-N 3.15Å; I161-L163 PolarHBondContact O-N 3.48Å; I161-L164 PolarHBondContact O-N 3.3Å; I161-L164 VanDerWaalsContact O-N 3.17Å; I161-L165 HydrophobicContact CG2-CD1 3.92Å; I161-L165 HydrophobicContact CG2-CG 4.22Å; I161-L165 WeakPolarHBondContact O-CG 3.28Å; I161-L165 PolarHBondContact O-N 3.36Å
162V87.6Confident86Confident4 Ų434.3 Ų34.32%0.02418%0.183CC..Hα-helixtrans-63.6-41.1-179.8-176.40000111.5M77 I84 A158 G159 L164 L165 D166 F182M77-V162 HydrophobicContact CE-CG1 4.39Å; M77-V162 HydrophobicContact CE-CG2 3.47Å; M77-V162 VanDerWaalsContact CE-CG2 3.47Å; M77-V162 HydrophobicContact SD-CG2 3.52Å; M77-V162 VanDerWaalsContact SD-CG2 3.52Å; I84-V162 HydrophobicContact CD1-CB 4.38Å; I84-V162 HydrophobicContact CD1-CG1 3.7Å; A158-V162 WeakPolarHBondContact O-CG2 3.41Å; A158-V162 PolarHBondContact O-N 3.48Å; G159-V162 PolarHBondContact O-N 2.96Å; V162-L164 VanDerWaalsContact C-N 3.31Å; V162-L164 PolarHBondContact O-N 3.5Å; V162-L165 PolarHBondContact O-N 3.23Å; V162-D166 PolarHBondContact O-N 3.49Å; V162-F182 HydrophobicContact CG1-CD2 4.37Å; V162-F182 HydrophobicContact CG1-CE2 4.08Å
163L86.9Confident85.7Confident12 Ų1234.5 Ų34.56%0.06318%0.182CC..Hα-helixtrans-58.9-41.6173.7-81.5165.4000112.2I84 M121 T124 G159 L160 I161 E167I84-L163 HydrophobicContact CB-CD2 4.3Å; I84-L163 HydrophobicContact CD1-CD2 3.84Å; I84-L163 HydrophobicContact CD1-CG 4.02Å; I84-L163 HydrophobicContact CG1-CD2 3.56Å; I84-L163 HydrophobicContact CG1-CG 4.02Å; I84-L163 HydrophobicContact CG2-CD2 4.3Å; M121-L163 HydrophobicContact CG-CD1 3.8Å; T124-L163 HydrophobicContact CG2-CD1 4.09Å; G159-L163 WeakPolarHBondContact O-CB 3.38Å; G159-L163 WeakPolarHBondContact O-CG 3.27Å; G159-L163 PolarHBondContact O-N 3.3Å; L160-L163 PolarHBondContact O-N 3Å; I161-L163 PolarHBondContact O-N 3.48Å; L163-E167 WeakPolarHBondContact O-CB 3.41Å; L163-E167 PolarHBondContact O-N 3.47Å; L163-E167 VanDerWaalsContact O-N 3.14Å
164L87Confident85Confident43 Ų4330.3 Ų30.323%0.22516%0.161CC..Hα-helixtrans-70.1-39.4176.3-70.9175.1000112.2I19 L160 I161 V162 E167 L168I19-L164 HydrophobicContact CD1-CB 4.32Å; I19-L164 HydrophobicContact CD1-CD2 4.35Å; I19-L164 WeakPolarHBondContact CD1-O 3.16Å; I19-L164 HydrophobicContact CG1-CD2 4.23Å; L160-L164 HydrophobicContact CD2-CD1 3.52Å; L160-L164 HydrophobicContact CD2-CG 4.17Å; L160-L164 WeakPolarHBondContact O-CG 3.27Å; L160-L164 PolarHBondContact O-N 3.05Å; I161-L164 PolarHBondContact O-N 3.3Å; I161-L164 VanDerWaalsContact O-N 3.17Å; V162-L164 VanDerWaalsContact C-N 3.31Å; V162-L164 PolarHBondContact O-N 3.5Å; L164-E167 PolarHBondContact O-N 3.18Å; L164-L168 WeakPolarHBondContact O-CB 3.3Å; L164-L168 PolarHBondContact O-N 2.97Å
165L87.8Confident84.3Confident17 Ų1729 Ų299%0.08916%0.155CC..Hα-helixtrans-63.6-41.3176.8-69.4172.9000111.7T38 I41 I161 V162 L168 L169 F182T38-L165 HydrophobicContact CG2-CD2 3.79Å; I41-L165 HydrophobicContact CB-CD1 4.38Å; I41-L165 HydrophobicContact CD1-CD2 4.31Å; I41-L165 HydrophobicContact CG2-CD1 3.91Å; I161-L165 HydrophobicContact CG2-CD1 3.92Å; I161-L165 HydrophobicContact CG2-CG 4.22Å; I161-L165 WeakPolarHBondContact O-CG 3.28Å; I161-L165 PolarHBondContact O-N 3.36Å; V162-L165 PolarHBondContact O-N 3.23Å; L165-L168 WeakPolarHBondContact O-CB 3.12Å; L165-L168 PolarHBondContact O-N 3.35Å; L165-L169 WeakPolarHBondContact O-CG 3.13Å; L165-L169 PolarHBondContact O-N 3.03Å; L165-F182 HydrophobicContact CB-CZ 3.93Å
166D86.1Confident83.8Confident7 Ų730.6 Ų30.64%0.03717%0.172CC..Hα-helixtrans-62.5-43.1174.2179.254000111.5I84 V162 L168 L169 Q170 G178 I179 F182I84-D166 HydrophobicContact CD1-CB 4.23Å; I84-D166 WeakPolarHBondContact CG2-OD2 2.95Å; V162-D166 PolarHBondContact O-N 3.49Å; D166-L168 VanDerWaalsContact C-N 3.35Å; D166-L168 PolarHBondContact O-N 3.46Å; D166-L169 PolarHBondContact O-N 3.22Å; D166-Q170 WeakPolarHBondContact O-CG 3.38Å; D166-Q170 PolarHBondContact O-N 3.05Å; D166-Q170 PolarHBondContact OD1-NE2 3.36Å; D166-Q170 VanDerWaalsContact OD1-NE2 3.07Å; D166-Q170 PolarHBondContact OD2-NE2 3.38Å; D166-G178 WeakPolarHBondContact OD1-CA 3.35Å; D166-G178 PolarHBondContact OD1-N 3.33Å; D166-G178 VanDerWaalsContact OD1-N 3.12Å; D166-I179 PolarHBondContact OD1-N 3.12Å; D166-F182 HydrophobicContact CB-CE2 4.47Å
167E84.2Confident83.4Confident21 Ų2129.8 Ų29.810%0.09817%0.174CC..Hα-helixtrans-64.2-38.1176.9-171.6-174.515500112.7E18 I19 K117 L163 L164 L169 Q170 K171E18-E167 VanDerWaalsContact CG-OE1 3.31Å; E18-E167 WeakPolarHBondContact CG-OE1 3.42Å; I19-E167 HydrophobicContact CB-CG 4.39Å; I19-E167 HydrophobicContact CD1-CB 4.23Å; I19-E167 HydrophobicContact CD1-CG 4.47Å; I19-E167 PolarHBondContact N-OE1 3.07Å; K117-E167 IonicContact NZ-OE2 3.33Å; K117-E167 PolarHBondContact NZ-OE2 2.76Å; L163-E167 WeakPolarHBondContact O-CB 3.41Å; L163-E167 PolarHBondContact O-N 3.47Å; L163-E167 VanDerWaalsContact O-N 3.14Å; L164-E167 PolarHBondContact O-N 3.18Å; E167-L169 VanDerWaalsContact C-N 3.31Å; E167-L169 PolarHBondContact O-N 2.9Å; E167-Q170 PolarHBondContact O-N 2.93Å; E167-K171 HydrophobicContact CG-CD 3.95Å; E167-K171 HydrophobicContact CG-CG 4.31Å; E167-K171 WeakPolarHBondContact O-CB 3.14Å; E167-K171 WeakPolarHBondContact O-CG 3.41Å; E167-K171 PolarHBondContact O-N 3.26Å; E167-K171 VanDerWaalsContact OE1-CE 3.24Å; E167-K171 WeakPolarHBondContact OE1-CE 3.14Å; E167-K171 IonicContact OE1-NZ 3.47Å; E167-K171 PolarHBondContact OE1-NZ 3.45Å
168L86.3Confident82.9Confident27 Ų2726.2 Ų26.214%0.14115%0.152CC..Hα-helixtrans-57.7-47.8175.2-172.1149.5000110I19 W34 T38 L164 L165 D166 Y173I19-L168 HydrophobicContact CD1-CB 3.71Å; W34-L168 HydrophobicContact CE3-CD1 4.32Å; W34-L168 HydrophobicContact CE3-CD2 4.33Å; W34-L168 HydrophobicContact CZ3-CD1 4.37Å; T38-L168 HydrophobicContact CG2-CD2 3.8Å; L164-L168 WeakPolarHBondContact O-CB 3.3Å; L164-L168 PolarHBondContact O-N 2.97Å; L165-L168 WeakPolarHBondContact O-CB 3.12Å; L165-L168 PolarHBondContact O-N 3.35Å; D166-L168 VanDerWaalsContact C-N 3.35Å; D166-L168 PolarHBondContact O-N 3.46Å; L168-Y173 VanDerWaalsContact CD2-CB 3.49Å; L168-Y173 HydrophobicContact CD2-CG 4.21Å; L168-Y173 HydrophobicContact CG-CD2 4.22Å; L168-Y173 HydrophobicContact CG-CG 4.24Å; L168-Y173 WeakPolarHBondContact O-CB 3.47Å; L168-Y173 WeakPolarHBondContact O-CD2 3.32Å; L168-Y173 PolarHBondContact O-N 2.88Å
169L84.9Confident82.7Confident1 Ų127.6 Ų27.61%0.00516%0.158CC..Iπ-helixtrans-65.9-46.9179.6-64.9173.5000111.2T38 L165 D166 E167 K171 G172 G178 L181 F182T38-L169 HydrophobicContact CG2-CD2 4.14Å; T38-L169 HydrophobicContact CG2-CG 4.32Å; L165-L169 WeakPolarHBondContact O-CG 3.13Å; L165-L169 PolarHBondContact O-N 3.03Å; D166-L169 PolarHBondContact O-N 3.22Å; E167-L169 VanDerWaalsContact C-N 3.31Å; E167-L169 PolarHBondContact O-N 2.9Å; L169-K171 VanDerWaalsContact C-N 3.32Å; L169-K171 PolarHBondContact O-N 3.29Å; L169-G172 PolarHBondContact O-N 3.37Å; L169-G172 VanDerWaalsContact O-N 3.14Å; L169-G178 VanDerWaalsContact CD1-CA 3.45Å; L169-L181 HydrophobicContact CD1-CD2 3.93Å; L169-F182 HydrophobicContact CD1-CZ 4.33Å
170Q80.9Confident82.4Confident91 Ų9128.4 Ų28.443%0.42516%0.163SC..Iπ-helixtrans-64.8-30.4-179.9-72.2179.616.100114.1D166 E167 G172D166-Q170 WeakPolarHBondContact O-CG 3.38Å; D166-Q170 PolarHBondContact O-N 3.05Å; D166-Q170 PolarHBondContact OD1-NE2 3.36Å; D166-Q170 VanDerWaalsContact OD1-NE2 3.07Å; D166-Q170 PolarHBondContact OD2-NE2 3.38Å; E167-Q170 PolarHBondContact O-N 2.93Å; Q170-G172 PolarHBondContact O-N 3.36Å
171K80.9Confident82.3Confident33 Ų3327.3 Ų27.314%0.14316%0.157CC..Iπ-helixtrans-75.7-0.1177.6-75.5-175.2173.7-1800114E18 I19 K21 P22 E167 L169 Y173E18-K171 VanDerWaalsContact CD-NZ 3.34Å; E18-K171 IonicContact OE1-NZ 2.77Å; E18-K171 PolarHBondContact OE1-NZ 3.18Å; I19-K171 HydrophobicContact CB-CD 4.13Å; I19-K171 HydrophobicContact CG2-CD 4.29Å; I19-K171 WeakPolarHBondContact O-CD 3.38Å; I19-K171 WeakPolarHBondContact O-CE 3.46Å; I19-K171 PolarHBondContact O-NZ 3.45Å; K21-K171 HydrophobicContact CG-CD 4.1Å; K21-K171 HydrophobicContact CG-CG 4.26Å; P22-K171 WeakPolarHBondContact CD-O 3.4Å; E167-K171 HydrophobicContact CG-CD 3.95Å; E167-K171 HydrophobicContact CG-CG 4.31Å; E167-K171 WeakPolarHBondContact O-CB 3.14Å; E167-K171 WeakPolarHBondContact O-CG 3.41Å; E167-K171 PolarHBondContact O-N 3.26Å; E167-K171 VanDerWaalsContact OE1-CE 3.24Å; E167-K171 WeakPolarHBondContact OE1-CE 3.14Å; E167-K171 IonicContact OE1-NZ 3.47Å; E167-K171 PolarHBondContact OE1-NZ 3.45Å; L169-K171 VanDerWaalsContact C-N 3.32Å; L169-K171 PolarHBondContact O-N 3.29Å; K171-Y173 HydrophobicContact CB-CD2 4.39Å
172G75.8Confident82.1Confident27 Ų2724.1 Ų24.128%0.27814%0.14SC..Iπ-helixtrans98.97.4170.800000114.8L169 Q170 G174L169-G172 PolarHBondContact O-N 3.37Å; L169-G172 VanDerWaalsContact O-N 3.14Å; Q170-G172 PolarHBondContact O-N 3.36Å; G172-G174 VanDerWaalsContact C-N 3.27Å
173Y80.1Confident81.9Confident48 Ų4824.4 Ų24.419%0.18814%0.142CC..Iπ-helixtrans-72.1-27.8164.7-63.6-91.7000111I19 Q20 P22 I26 K31 W34 L168 K171I19-Y173 HydrophobicContact CG2-CE2 4Å; Q20-Y173 WeakPolarHBondContact O-CE2 3.19Å; Q20-Y173 PolarHBondContact O-OH 3.14Å; P22-Y173 HydrophobicContact CB-CE1 4.19Å; P22-Y173 HydrophobicContact CB-CE2 4.45Å; P22-Y173 HydrophobicContact CG-CE2 4.35Å; I26-Y173 HydrophobicContact CD1-CD1 3.23Å; I26-Y173 HydrophobicContact CD1-CE1 3.64Å; I26-Y173 HydrophobicContact CD1-CG 3.71Å; K31-Y173 VanDerWaalsContact CA-O 3.24Å; K31-Y173 WeakPolarHBondContact CA-O 3.18Å; W34-Y173 WeakPolarHBondContact CB-O 3.49Å; L168-Y173 VanDerWaalsContact CD2-CB 3.49Å; L168-Y173 HydrophobicContact CD2-CG 4.21Å; L168-Y173 HydrophobicContact CG-CD2 4.22Å; L168-Y173 HydrophobicContact CG-CG 4.24Å; L168-Y173 WeakPolarHBondContact O-CB 3.47Å; L168-Y173 WeakPolarHBondContact O-CD2 3.32Å; L168-Y173 PolarHBondContact O-N 2.88Å; K171-Y173 HydrophobicContact CB-CD2 4.39Å
174G74.3Confident81.8Confident5 Ų524.1 Ų24.15%0.05214%0.141CC..SBendtrans-95.8164.9177.200000114.1T35 G172T35-G174 WeakPolarHBondContact OG1-CA 3.21Å; G172-G174 VanDerWaalsContact C-N 3.27Å
175L74Confident81.8Confident15 Ų1523.2 Ų23.28%0.07914%0.138CC..SBendtrans-80.2129156-63.1163.5000107F28 K31 V32 T35 Y457 E464F28-L175 HydrophobicContact CD2-CD2 4.3Å; F28-L175 HydrophobicContact CE2-CD1 4.35Å; F28-L175 HydrophobicContact CE2-CD2 3.67Å; F28-L175 HydrophobicContact CZ-CD1 4.29Å; F28-L175 HydrophobicContact CZ-CD2 4.4Å; K31-L175 HydrophobicContact CB-CD2 4.4Å; K31-L175 HydrophobicContact CB-CG 4.3Å; K31-L175 HydrophobicContact CD-CD2 4.29Å; V32-L175 HydrophobicContact CG2-CD1 3.64Å; T35-L175 PolarHBondContact OG1-N 3.29Å; T35-L175 VanDerWaalsContact OG1-N 3.07Å; L175-Y457 VanDerWaalsContact C-CE1 3.43Å; L175-Y457 HydrophobicContact CB-CD1 4.1Å; L175-Y457 HydrophobicContact CB-CE1 3.86Å; L175-Y457 WeakPolarHBondContact O-CE1 3.46Å; L175-Y457 VanDerWaalsContact O-CZ 3.32Å; L175-Y457 PolarHBondContact O-OH 3.34Å; L175-E464 WeakPolarHBondContact CD2-OE2 3.43Å
176G74.8Confident81.6Confident34 Ų3422.7 Ų22.735%0.35114%0.135SC..SBendtrans66.3-147.6172.800000116.6Y457G176-Y457 WeakPolarHBondContact CA-OH 3.34Å
177S80.4Confident81.4Confident41 Ų4122.5 Ų22.529%0.28713%0.134SC..  trans-110.1139.7-174.2175.90000110.9I179 S180 L181 Y457S177-I179 PolarHBondContact O-N 3.43Å; S177-S180 PolarHBondContact O-N 3Å; S177-S180 PolarHBondContact O-OG 3.04Å; S177-S180 VanDerWaalsContact O-OG 3.05Å; S177-L181 PolarHBondContact O-N 3.43Å; S177-Y457 PolarHBondContact N-OH 3.2Å; S177-Y457 PolarHBondContact O-OH 2.9Å
178G79.3Confident81.5Confident0 Ų023.7 Ų23.70%014%0.144CC..Hα-helixtrans-64-40.7-179.400000113D166 L169 S180 L181 F182D166-G178 WeakPolarHBondContact OD1-CA 3.35Å; D166-G178 PolarHBondContact OD1-N 3.33Å; D166-G178 VanDerWaalsContact OD1-N 3.12Å; L169-G178 VanDerWaalsContact CD1-CA 3.45Å; G178-S180 PolarHBondContact O-N 3.41Å; G178-L181 PolarHBondContact O-N 2.87Å; G178-F182 WeakPolarHBondContact O-CB 3.46Å; G178-F182 WeakPolarHBondContact O-CD2 3.5Å; G178-F182 WeakPolarHBondContact O-CG 3.32Å; G178-F182 PolarHBondContact O-N 2.65Å
179I81.6Confident81.4Confident35 Ų3524.7 Ų24.718%0.17915%0.148CC..Hα-helixtrans-53.6-51.3178.3-59.8173.2000111.6I81 I84 V85 D166 S177 L181 I183I81-I179 HydrophobicContact CG2-CB 4.34Å; I81-I179 HydrophobicContact CG2-CG1 3.99Å; I81-I179 HydrophobicContact CG2-CG2 4.14Å; I84-I179 HydrophobicContact CG2-CD1 3.85Å; I84-I179 HydrophobicContact CG2-CG1 3.99Å; V85-I179 HydrophobicContact CG2-CD1 4.43Å; V85-I179 HydrophobicContact CG2-CG2 3.66Å; D166-I179 PolarHBondContact OD1-N 3.12Å; S177-I179 PolarHBondContact O-N 3.43Å; I179-L181 PolarHBondContact O-N 3.16Å; I179-I183 HydrophobicContact CG2-CD1 3.88Å; I179-I183 VanDerWaalsContact O-CG1 3.25Å; I179-I183 WeakPolarHBondContact O-CG1 3.38Å; I179-I183 PolarHBondContact O-N 2.62Å
180S81.1Confident81.1Confident26 Ų2626.9 Ų26.918%0.18216%0.161CC..Hα-helixtrans-67.7-39.2-177.252.60000111.7S177 G178 I183 A184S177-S180 PolarHBondContact O-N 3Å; S177-S180 PolarHBondContact O-OG 3.04Å; S177-S180 VanDerWaalsContact O-OG 3.05Å; G178-S180 PolarHBondContact O-N 3.41Å; S180-I183 PolarHBondContact O-N 2.9Å; S180-A184 WeakPolarHBondContact O-CB 3.42Å; S180-A184 PolarHBondContact O-N 3.3Å
181L85Confident81.2Confident19 Ų1924.6 Ų24.610%0.09915%0.152CC..Hα-helixtrans-62.8-44.4178.8-170.265.7000112.6T35 L39 L169 S177 G178 I179 A184 T185 Y457T35-L181 HydrophobicContact CG2-CD1 4.5Å; T35-L181 HydrophobicContact CG2-CD2 3.49Å; T35-L181 VanDerWaalsContact CG2-CD2 3.49Å; L39-L181 HydrophobicContact CD1-CD1 4.1Å; L39-L181 HydrophobicContact CD1-CD2 4.04Å; L39-L181 HydrophobicContact CD1-CG 4.18Å; L39-L181 HydrophobicContact CD2-CD1 4.33Å; L39-L181 HydrophobicContact CD2-CD2 3.85Å; L39-L181 HydrophobicContact CD2-CG 3.67Å; L39-L181 HydrophobicContact CG-CD2 3.72Å; L39-L181 HydrophobicContact CG-CG 4.04Å; L169-L181 HydrophobicContact CD1-CD2 3.93Å; S177-L181 PolarHBondContact O-N 3.43Å; G178-L181 PolarHBondContact O-N 2.87Å; I179-L181 PolarHBondContact O-N 3.16Å; L181-A184 PolarHBondContact O-N 2.68Å; L181-T185 WeakPolarHBondContact O-CB 3.47Å; L181-T185 PolarHBondContact O-N 2.73Å; L181-T185 PolarHBondContact O-OG1 3.21Å; L181-Y457 HydrophobicContact CD1-CE1 4.3Å; L181-Y457 HydrophobicContact CD1-CE2 4.49Å
182F85.8Confident81.4Confident0 Ų027.1 Ų27.10%017%0.17CC..Hα-helixtrans-66.9-41.4179.2-63.6-30.6000112.3F42 I81 V162 L165 D166 L169 G178 T185 N186F42-F182 HydrophobicContact CB-CD1 3.99Å; F42-F182 HydrophobicContact CB-CE1 3.81Å; F42-F182 HydrophobicContact CD1-CD1 4.01Å; F42-F182 HydrophobicContact CD2-CB 4.19Å; F42-F182 AromaticContact CD2-CD1 3.43Å; F42-F182 HydrophobicContact CD2-CD1 3.43Å; F42-F182 VanDerWaalsContact CD2-CD1 3.43Å; F42-F182 HydrophobicContact CD2-CD2 4.11Å; F42-F182 AromaticContact CD2-CE1 3.75Å; F42-F182 HydrophobicContact CD2-CE1 3.75Å; F42-F182 HydrophobicContact CD2-CE2 4.38Å; F42-F182 AromaticContact CD2-CG 3.65Å; F42-F182 HydrophobicContact CD2-CG 3.65Å; F42-F182 HydrophobicContact CD2-CZ 4.22Å; F42-F182 HydrophobicContact CE1-CB 4.21Å; F42-F182 HydrophobicContact CE1-CD1 4.38Å; F42-F182 HydrophobicContact CE2-CB 3.64Å; F42-F182 AromaticContact CE2-CD1 3.82Å; F42-F182 HydrophobicContact CE2-CD1 3.82Å; F42-F182 HydrophobicContact CE2-CD2 4.05Å; F42-F182 AromaticContact CE2-CG 3.57Å; F42-F182 HydrophobicContact CE2-CG 3.57Å; F42-F182 AromaticContact CG-CD1 3.53Å; F42-F182 HydrophobicContact CG-CD1 3.53Å; F42-F182 AromaticContact CG-CE1 3.84Å; F42-F182 HydrophobicContact CG-CE1 3.84Å; F42-F182 HydrophobicContact CG-CG 4.18Å; F42-F182 HydrophobicContact CZ-CB 3.69Å; F42-F182 HydrophobicContact CZ-CD1 4.3Å; F42-F182 HydrophobicContact CZ-CG 4.09Å; I81-F182 HydrophobicContact CD1-CB 3.36Å; I81-F182 HydrophobicContact CD1-CD2 4.31Å; I81-F182 HydrophobicContact CD1-CG 4.35Å; I81-F182 HydrophobicContact CG1-CB 4.04Å; I81-F182 HydrophobicContact CG1-CD2 4.26Å; V162-F182 HydrophobicContact CG1-CD2 4.37Å; V162-F182 HydrophobicContact CG1-CE2 4.08Å; L165-F182 HydrophobicContact CB-CZ 3.93Å; D166-F182 HydrophobicContact CB-CE2 4.47Å; L169-F182 HydrophobicContact CD1-CZ 4.33Å; G178-F182 WeakPolarHBondContact O-CB 3.46Å; G178-F182 WeakPolarHBondContact O-CD2 3.5Å; G178-F182 WeakPolarHBondContact O-CG 3.32Å; G178-F182 PolarHBondContact O-N 2.65Å; F182-T185 PolarHBondContact O-N 2.89Å; F182-N186 PolarHBondContact O-N 3Å; F182-N186 VanDerWaalsContact O-N 3.1Å
183I82.4Confident81.8Confident10 Ų1032.4 Ų32.45%0.05118%0.181CC..Hα-helixtrans-60.2-50.8174.3-66.5169.9000110.6I68 I81 I179 S180 T185 N186 I187 I453I68-I183 WeakPolarHBondContact O-CG1 3.45Å; I81-I183 HydrophobicContact CD1-CG1 3.65Å; I179-I183 HydrophobicContact CG2-CD1 3.88Å; I179-I183 VanDerWaalsContact O-CG1 3.25Å; I179-I183 WeakPolarHBondContact O-CG1 3.38Å; I179-I183 PolarHBondContact O-N 2.62Å; S180-I183 PolarHBondContact O-N 2.9Å; I183-T185 VanDerWaalsContact C-N 3.25Å; I183-T185 PolarHBondContact O-N 3.08Å; I183-N186 PolarHBondContact O-N 3.48Å; I183-I187 HydrophobicContact CG2-CD1 3.62Å; I183-I187 WeakPolarHBondContact O-CD1 3.41Å; I183-I187 WeakPolarHBondContact O-CG1 3.43Å; I183-I187 PolarHBondContact O-N 2.95Å; I183-I453 HydrophobicContact CG2-CD1 4.42Å
184A85.1Confident81.6Confident6 Ų632.5 Ų32.55%0.0518%0.183CC..Hα-helixtrans-60.3-38-179.400000112.1S180 L181 C188 I453S180-A184 WeakPolarHBondContact O-CB 3.42Å; S180-A184 PolarHBondContact O-N 3.3Å; L181-A184 PolarHBondContact O-N 2.68Å; A184-C188 WeakPolarHBondContact O-CB 3.48Å; A184-C188 PolarHBondContact O-N 3.45Å; A184-C188 PolarHBondContact O-SG 3.48Å; A184-I453 HydrophobicContact CB-CB 4.2Å; A184-I453 HydrophobicContact CB-CD1 4.32Å; A184-I453 HydrophobicContact CB-CG2 3.87Å
185T86.8Confident81.9Confident25 Ų2532.5 Ų32.515%0.15318%0.182CC..Hα-helixtrans-66.4-47.3-180-58.70000112L39 L43 L181 F182 I183 I187 C188 E189L39-T185 HydrophobicContact CD2-CG2 4.14Å; L39-T185 WeakPolarHBondContact CD2-OG1 3.49Å; L43-T185 HydrophobicContact CD1-CG2 4.29Å; L43-T185 HydrophobicContact CD2-CG2 3.62Å; L43-T185 HydrophobicContact CG-CG2 4.02Å; L181-T185 WeakPolarHBondContact O-CB 3.47Å; L181-T185 PolarHBondContact O-N 2.73Å; L181-T185 PolarHBondContact O-OG1 3.21Å; F182-T185 PolarHBondContact O-N 2.89Å; I183-T185 VanDerWaalsContact C-N 3.25Å; I183-T185 PolarHBondContact O-N 3.08Å; T185-I187 VanDerWaalsContact C-N 3.31Å; T185-I187 PolarHBondContact O-N 3.28Å; T185-C188 PolarHBondContact O-N 3.33Å; T185-E189 WeakPolarHBondContact O-CB 3.06Å; T185-E189 PolarHBondContact O-N 3.07Å
186N83.6Confident82.3Confident5 Ų537.3 Ų37.33%0.02720%0.203CC..Hα-helixtrans-64.4-36.1179.9-176.4-92.5000112.5A70 N72 F182 I183 E189 T190A70-N186 HydrophobicContact CB-CB 3.69Å; N72-N186 PolarHBondContact OD1-ND2 2.9Å; F182-N186 PolarHBondContact O-N 3Å; F182-N186 VanDerWaalsContact O-N 3.1Å; I183-N186 PolarHBondContact O-N 3.48Å; N186-E189 PolarHBondContact O-N 3.49Å; N186-T190 WeakPolarHBondContact O-CB 3.36Å; N186-T190 PolarHBondContact O-N 3.07Å; N186-T190 PolarHBondContact O-OG1 3.5Å
187I83.1Confident82.4Confident3 Ų335.7 Ų35.72%0.01519%0.186CC..Hα-helixtrans-66.6-44.8174.7-64.7159.6000110.3I183 T185 E189 T190 I191 G446 L449 A450I183-I187 HydrophobicContact CG2-CD1 3.62Å; I183-I187 WeakPolarHBondContact O-CD1 3.41Å; I183-I187 WeakPolarHBondContact O-CG1 3.43Å; I183-I187 PolarHBondContact O-N 2.95Å; T185-I187 VanDerWaalsContact C-N 3.31Å; T185-I187 PolarHBondContact O-N 3.28Å; I187-E189 PolarHBondContact O-N 3.25Å; I187-T190 PolarHBondContact O-N 3.34Å; I187-I191 HydrophobicContact CG2-CD1 3.87Å; I187-I191 VanDerWaalsContact O-CG1 3.27Å; I187-I191 WeakPolarHBondContact O-CG1 3.05Å; I187-I191 PolarHBondContact O-N 3.37Å; I187-G446 WeakPolarHBondContact CD1-O 3.46Å; I187-L449 HydrophobicContact CD1-CB 4.42Å; I187-A450 HydrophobicContact CB-CB 4.11Å; I187-A450 HydrophobicContact CD1-CB 4.3Å; I187-A450 HydrophobicContact CG2-CB 3.77Å
188C85.3Confident82Confident47 Ų4737.7 Ų37.732%0.31820%0.198SC..Hα-helixtrans-62.6-42.1176-67.80000112A184 T185 T190 I191 V192A184-C188 WeakPolarHBondContact O-CB 3.48Å; A184-C188 PolarHBondContact O-N 3.45Å; A184-C188 PolarHBondContact O-SG 3.48Å; T185-C188 PolarHBondContact O-N 3.33Å; C188-T190 VanDerWaalsContact C-N 3.35Å; C188-T190 PolarHBondContact O-N 2.97Å; C188-I191 PolarHBondContact O-N 2.94Å; C188-V192 WeakPolarHBondContact O-CB 3.31Å; C188-V192 VanDerWaalsContact O-CG2 3.3Å; C188-V192 WeakPolarHBondContact O-CG2 3.21Å; C188-V192 PolarHBondContact O-N 2.99Å
189E84Confident81.8Confident47 Ų4740.3 Ų40.322%0.2221%0.214CC..Hα-helixtrans-57-48.3174.2-179.1-177-175.200110.8Q47 T185 N186 I187 I191 V192 W193Q47-E189 PolarHBondContact NE2-OE1 3.35Å; T185-E189 WeakPolarHBondContact O-CB 3.06Å; T185-E189 PolarHBondContact O-N 3.07Å; N186-E189 PolarHBondContact O-N 3.49Å; I187-E189 PolarHBondContact O-N 3.25Å; E189-I191 PolarHBondContact O-N 3.47Å; E189-V192 PolarHBondContact O-N 3.33Å; E189-W193 VanDerWaalsContact O-CB 3.28Å; E189-W193 WeakPolarHBondContact O-CB 3.24Å; E189-W193 PolarHBondContact O-N 3.45Å
190T79.6Confident81.4Confident48 Ų4842.3 Ų42.329%0.29423%0.228SC..Hα-helixtrans-62-41178.4-58.60000112.2N186 I187 C188 K194N186-T190 WeakPolarHBondContact O-CB 3.36Å; N186-T190 PolarHBondContact O-N 3.07Å; N186-T190 PolarHBondContact O-OG1 3.5Å; I187-T190 PolarHBondContact O-N 3.34Å; C188-T190 VanDerWaalsContact C-N 3.35Å; C188-T190 PolarHBondContact O-N 2.97Å; T190-K194 HydrophobicContact CG2-CD 4.41Å; T190-K194 WeakPolarHBondContact O-CB 3.4Å; T190-K194 WeakPolarHBondContact O-CG 3.32Å; T190-K194 PolarHBondContact O-N 3.45Å
191I82.7Confident80.6Confident43 Ų4343.7 Ų43.722%0.22124%0.236CC..Hα-helixtrans-65.1-47.4177.7-68.2165.8000110.4I187 C188 E189 K194 A195 I447I187-I191 HydrophobicContact CG2-CD1 3.87Å; I187-I191 VanDerWaalsContact O-CG1 3.27Å; I187-I191 WeakPolarHBondContact O-CG1 3.05Å; I187-I191 PolarHBondContact O-N 3.37Å; C188-I191 PolarHBondContact O-N 2.94Å; E189-I191 PolarHBondContact O-N 3.47Å; I191-K194 PolarHBondContact O-N 3.23Å; I191-A195 WeakPolarHBondContact O-CB 3.24Å; I191-A195 PolarHBondContact O-N 2.85Å; I191-I447 HydrophobicContact CD1-CG1 4.23Å
192V85.4Confident79.5Confident86 Ų8648.2 Ų48.252%0.52126%0.26SS..Hα-helixtrans-64.4-42.6178.9172.40000110.6C188 E189 A195 F196C188-V192 WeakPolarHBondContact O-CB 3.31Å; C188-V192 VanDerWaalsContact O-CG2 3.3Å; C188-V192 WeakPolarHBondContact O-CG2 3.21Å; C188-V192 PolarHBondContact O-N 2.99Å; E189-V192 PolarHBondContact O-N 3.33Å; V192-A195 PolarHBondContact O-N 3.04Å; V192-F196 HydrophobicContact CG1-CD2 4.24Å; V192-F196 PolarHBondContact O-N 2.98Å
193W83Confident78.1Confident138 Ų13851.3 Ų51.352%0.52328%0.279SS..Hα-helixtrans-61.1-49.5177-170.4-100.6000111.2E189 A195 F196 S197 T199E189-W193 VanDerWaalsContact O-CB 3.28Å; E189-W193 WeakPolarHBondContact O-CB 3.24Å; E189-W193 PolarHBondContact O-N 3.45Å; W193-A195 PolarHBondContact O-N 3.21Å; W193-F196 PolarHBondContact O-N 3.5Å; W193-S197 WeakPolarHBondContact O-CA 3.28Å; W193-S197 WeakPolarHBondContact O-CB 3.26Å; W193-S197 PolarHBondContact O-N 2.99Å; W193-S197 PolarHBondContact O-OG 3.17Å; W193-T199 HydrophobicContact CZ2-CG2 4.43Å
194K76.4Confident76.7Confident49 Ų4954.5 Ų54.521%0.21331%0.314CS..Hα-helixtrans-66.4-23.3177.5-73-171.6176.5-174.20113.9T190 I191 A212 P240 I441T190-K194 HydrophobicContact CG2-CD 4.41Å; T190-K194 WeakPolarHBondContact O-CB 3.4Å; T190-K194 WeakPolarHBondContact O-CG 3.32Å; T190-K194 PolarHBondContact O-N 3.45Å; I191-K194 PolarHBondContact O-N 3.23Å; K194-A212 PolarHBondContact O-N 3.05Å; K194-P240 HydrophobicContact CB-CG 4.34Å; K194-P240 HydrophobicContact CG-CG 4.47Å; K194-I441 HydrophobicContact CB-CG2 3.49Å; K194-I441 VanDerWaalsContact CB-CG2 3.49Å; K194-I441 HydrophobicContact CD-CG2 3.48Å; K194-I441 VanDerWaalsContact CD-CG2 3.48Å; K194-I441 HydrophobicContact CG-CG2 4.09Å
195A80.9Confident75.4Confident6 Ų664 Ų645%0.0535%0.349CS..Hα-helixtrans-80-40.2175.400000112.8I191 V192 W193 G211 A212 I213 L245I191-A195 WeakPolarHBondContact O-CB 3.24Å; I191-A195 PolarHBondContact O-N 2.85Å; V192-A195 PolarHBondContact O-N 3.04Å; W193-A195 PolarHBondContact O-N 3.21Å; A195-G211 CarbonylContact O-C 3.55Å; A195-A212 PolarHBondContact O-N 3.17Å; A195-I213 HydrophobicContact CB-CD1 4.29Å; A195-I213 PolarHBondContact O-N 3.32Å; A195-L245 HydrophobicContact CB-CD1 3.69Å
196F81.6Confident74.1Confident115 Ų11564.4 Ų64.450%0.50436%0.358SS..Hα-helixtrans-123.715.7-168.2-65.9-80.7000114.7V192 W193 P198 I213 I214V192-F196 HydrophobicContact CG1-CD2 4.24Å; V192-F196 PolarHBondContact O-N 2.98Å; W193-F196 PolarHBondContact O-N 3.5Å; F196-P198 WeakPolarHBondContact O-CD 3.45Å; F196-I213 HydrophobicContact CD1-CB 4.39Å; F196-I213 HydrophobicContact CD1-CD1 4.19Å; F196-I213 HydrophobicContact CD2-CD1 4.46Å; F196-I213 HydrophobicContact CE1-CB 4.26Å; F196-I213 HydrophobicContact CE1-CD1 3.55Å; F196-I213 HydrophobicContact CE1-CG2 4.1Å; F196-I213 HydrophobicContact CE2-CD1 3.86Å; F196-I213 HydrophobicContact CZ-CD1 3.37Å; F196-I214 WeakPolarHBondContact O-CD1 3.14Å
197S76.9Confident73.1Confident0 Ų068.1 Ų68.10%038%0.381CS..  trans-64.2126.4-178.651.90000111.3W193 T199 E210 G211W193-S197 WeakPolarHBondContact O-CA 3.28Å; W193-S197 WeakPolarHBondContact O-CB 3.26Å; W193-S197 PolarHBondContact O-N 2.99Å; W193-S197 PolarHBondContact O-OG 3.17Å; S197-T199 PolarHBondContact O-N 3.5Å; S197-E210 WeakPolarHBondContact OG-CB 3.35Å; S197-G211 WeakPolarHBondContact O-CA 3.47Å; S197-G211 PolarHBondContact O-N 3.19Å; S197-G211 VanDerWaalsContact O-N 3.14Å; S197-G211 WeakPolarHBondContact OG-CA 3.33Å; S197-G211 PolarHBondContact OG-N 2.93Å
198P73.4Confident72.3Confident83 Ų8369.4 Ų69.454%0.53939%0.387SS..  trans-84.51.4179.734.4-35.5000112.9F196 I214F196-P198 WeakPolarHBondContact O-CD 3.45Å; P198-I214 HydrophobicContact CB-CD1 4.39Å
199T74.9Confident71.4Confident55 Ų5569.3 Ų69.334%0.33738%0.381SS..  trans-66.9138.7179.341.60000110.7W193 S197 F209 E210W193-T199 HydrophobicContact CZ2-CG2 4.43Å; S197-T199 PolarHBondContact O-N 3.5Å; T199-F209 WeakPolarHBondContact O-CA 3.31Å; T199-E210 PolarHBondContact O-N 2.66Å; T199-E210 WeakPolarHBondContact OG1-CB 3.48Å; T199-E210 PolarHBondContact OG1-OE2 2.93Å
200T71.5Confident70.6Confident77 Ų7769.7 Ų69.747%0.47238%0.383SS..EExtended strand (participates in β ladder)trans-108.3127.1176.255.90000110.1E208 F209T200-E208 CarbonylContact C-O 3.53Å; T200-E208 WeakPolarHBondContact CA-O 3.36Å; T200-F209 HydrophobicContact CG2-CD1 3.54Å; T200-F209 HydrophobicContact CG2-CD2 4.49Å; T200-F209 HydrophobicContact CG2-CE1 3.39Å; T200-F209 HydrophobicContact CG2-CE2 4.35Å; T200-F209 HydrophobicContact CG2-CG 4.11Å; T200-F209 HydrophobicContact CG2-CZ 3.84Å
201V65.6Low70.2Confident56 Ų5667.4 Ų67.434%0.33937%0.369SS..EExtended strand (participates in β ladder)trans-104.9132.2170.9-176.10000108E208V201-E208 PolarHBondContact N-O 3.13Å; V201-E208 PolarHBondContact O-N 3.23Å
202N61.2Low69.6Low114 Ų11465.6 Ų65.661%0.6136%0.36SS*.EExtended strand (participates in β ladder)trans-99.293.5179.5-166.9-6.8000109.8G204 G206N202-G204 PolarHBondContact O-N 3.3Å; N202-G204 VanDerWaalsContact O-N 3.15Å; N202-G206 PolarHBondContact OD1-O 3.37Å
203T57.7Low69.1Low65 Ų6563.3 Ų63.340%0.39935%0.345SS..  trans-88.440.8-177.7-42.50000112R205T203-R205 PolarHBondContact O-N 2.92Å
204G52Low68.6Low77 Ų7759.2 Ų59.279%0.79433%0.332SS*.SBendtrans66.1-9176.600000116.2N202N202-G204 PolarHBondContact O-N 3.3Å; N202-G204 VanDerWaalsContact O-N 3.15Å
205R57.2Low68.2Low206 Ų20657.2 Ų57.278%0.77733%0.325SS*.SBendtrans-1082.7176.4-74.6-176.3163.8167.9-0.3113.9T203T203-R205 PolarHBondContact O-N 2.92Å
206G59.8Low67.7Low33 Ų3358.5 Ų58.534%0.3433%0.331SS..SBendtrans133.3172.2-177.400000112.2N202 E208N202-G206 PolarHBondContact OD1-O 3.37Å; G206-E208 PolarHBondContact O-N 3.47Å
207T62.8Low67.3Low83 Ų8359.7 Ų59.751%0.50934%0.336SS..EExtended strand (participates in β ladder)trans-73.8112.4173.250.90000109.7
208E65.4Low67Low30 Ų3062.6 Ų62.614%0.1435%0.35CS..EExtended strand (participates in β ladder)trans-107.5126.7178.5-59.9-167.5139.100108.8T200 V201 G206 R236 L239T200-E208 CarbonylContact C-O 3.53Å; T200-E208 WeakPolarHBondContact CA-O 3.36Å; V201-E208 PolarHBondContact N-O 3.13Å; V201-E208 PolarHBondContact O-N 3.23Å; G206-E208 PolarHBondContact O-N 3.47Å; E208-R236 VanDerWaalsContact CB-NH2 3.25Å; E208-R236 IonicContact OE1-CZ 3.08Å; E208-R236 IonicContact OE1-NE 3.32Å; E208-R236 IonicContact OE1-NH2 2.68Å; E208-R236 PolarHBondContact OE1-NH2 3.16Å; E208-R236 IonicContact OE2-CZ 2.57Å; E208-R236 IonicContact OE2-NE 2.75Å; E208-R236 PolarHBondContact OE2-NE 3.33Å; E208-R236 IonicContact OE2-NH1 3.99Å; E208-R236 IonicContact OE2-NH2 2.69Å; E208-R236 PolarHBondContact OE2-NH2 3.18Å; E208-L239 HydrophobicContact CB-CD1 4.29Å
209F67.2Low66.6Low45 Ų4559.7 Ų59.720%0.19733%0.329CS..EExtended strand (participates in β ladder)trans-67.9141.2171.7-70.8-83.3000110T199 T200 I214 A215 H218 R236T199-F209 WeakPolarHBondContact O-CA 3.31Å; T200-F209 HydrophobicContact CG2-CD1 3.54Å; T200-F209 HydrophobicContact CG2-CD2 4.49Å; T200-F209 HydrophobicContact CG2-CE1 3.39Å; T200-F209 HydrophobicContact CG2-CE2 4.35Å; T200-F209 HydrophobicContact CG2-CG 4.11Å; T200-F209 HydrophobicContact CG2-CZ 3.84Å; F209-I214 HydrophobicContact CB-CB 4.48Å; F209-I214 HydrophobicContact CB-CG2 4.09Å; F209-I214 HydrophobicContact CD1-CG2 3.74Å; F209-I214 HydrophobicContact CD2-CG2 4.22Å; F209-I214 HydrophobicContact CE1-CG2 4.22Å; F209-I214 HydrophobicContact CG-CG2 3.74Å; F209-A215 HydrophobicContact CB-CB 4.01Å; F209-H218 HydrophobicContact CD2-CB 3.63Å; F209-H218 AromaticContact CD2-CD2 3.82Å; F209-H218 AromaticContact CD2-CG 3.64Å; F209-H218 HydrophobicContact CE2-CB 3.74Å; F209-H218 AromaticContact CE2-CD2 3.67Å; F209-H218 AromaticContact CE2-CE1 3.92Å; F209-H218 AromaticContact CE2-CG 3.36Å; F209-H218 AromaticContact CE2-ND1 3.55Å; F209-R236 PolarHBondContact O-NH1 2.91Å
210E67.9Low66.3Low55 Ų5560.5 Ų60.526%0.25733%0.331SS..SBendtrans-74.3-34.6177.9-172.9-176169.600111.6S197 T199 A212 L239S197-E210 WeakPolarHBondContact OG-CB 3.35Å; T199-E210 PolarHBondContact O-N 2.66Å; T199-E210 WeakPolarHBondContact OG1-CB 3.48Å; T199-E210 PolarHBondContact OG1-OE2 2.93Å; E210-A212 PolarHBondContact O-N 3.43Å; E210-L239 HydrophobicContact CG-CD2 4.23Å
211G70.5Confident66.3Low0 Ų060.8 Ų60.80%034%0.342CS..SBendtrans-71.5123.9-179.100000112.1A195 S197 I213 I214 A215A195-G211 CarbonylContact O-C 3.55Å; S197-G211 WeakPolarHBondContact O-CA 3.47Å; S197-G211 PolarHBondContact O-N 3.19Å; S197-G211 VanDerWaalsContact O-N 3.14Å; S197-G211 WeakPolarHBondContact OG-CA 3.33Å; S197-G211 PolarHBondContact OG-N 2.93Å; G211-I213 VanDerWaalsContact C-N 3.25Å; G211-I213 PolarHBondContact O-N 3.38Å; G211-I214 PolarHBondContact O-N 3.14Å; G211-A215 WeakPolarHBondContact O-CB 3.45Å; G211-A215 PolarHBondContact O-N 3.41Å
212A69.6Low66.5Low5 Ų562.5 Ų62.54%0.04135%0.352CS..Hα-helixtrans-53.7-39.2-177.400000113.5K194 A195 E210 L216 P240K194-A212 PolarHBondContact O-N 3.05Å; A195-A212 PolarHBondContact O-N 3.17Å; E210-A212 PolarHBondContact O-N 3.43Å; A212-L216 PolarHBondContact O-N 2.88Å; A212-P240 HydrophobicContact CB-CB 4.46Å; A212-P240 WeakPolarHBondContact CB-O 3.3Å
213I75.9Confident66.5Low38 Ų3863.6 Ų63.620%0.19535%0.348CS..Hα-helixtrans-80.5-43.9-177.6-63.6169.3000110.9A195 F196 G211 A215 L216 F217 L245A195-I213 HydrophobicContact CB-CD1 4.29Å; A195-I213 PolarHBondContact O-N 3.32Å; F196-I213 HydrophobicContact CD1-CB 4.39Å; F196-I213 HydrophobicContact CD1-CD1 4.19Å; F196-I213 HydrophobicContact CD2-CD1 4.46Å; F196-I213 HydrophobicContact CE1-CB 4.26Å; F196-I213 HydrophobicContact CE1-CD1 3.55Å; F196-I213 HydrophobicContact CE1-CG2 4.1Å; F196-I213 HydrophobicContact CE2-CD1 3.86Å; F196-I213 HydrophobicContact CZ-CD1 3.37Å; G211-I213 VanDerWaalsContact C-N 3.25Å; G211-I213 PolarHBondContact O-N 3.38Å; I213-A215 VanDerWaalsContact C-N 3.33Å; I213-A215 PolarHBondContact O-N 3.34Å; I213-L216 WeakPolarHBondContact O-CB 3.44Å; I213-L216 PolarHBondContact O-N 3.04Å; I213-F217 HydrophobicContact CG2-CD2 3.85Å; I213-F217 HydrophobicContact CG2-CE2 3.72Å; I213-F217 VanDerWaalsContact O-CD2 3.27Å; I213-F217 WeakPolarHBondContact O-CD2 3.47Å; I213-F217 PolarHBondContact O-N 3.08Å; I213-F217 VanDerWaalsContact O-N 3.08Å; I213-L245 HydrophobicContact CD1-CD1 3.91Å; I213-L245 HydrophobicContact CG1-CD1 4.04Å
214I72.6Confident66.4Low51 Ų5166.9 Ų66.926%0.26237%0.368SS..Hα-helixtrans-65.7-40.9179.9-61.2-178.4000110.2F196 P198 F209 G211 L216 F217 H218F196-I214 WeakPolarHBondContact O-CD1 3.14Å; P198-I214 HydrophobicContact CB-CD1 4.39Å; F209-I214 HydrophobicContact CB-CB 4.48Å; F209-I214 HydrophobicContact CB-CG2 4.09Å; F209-I214 HydrophobicContact CD1-CG2 3.74Å; F209-I214 HydrophobicContact CD2-CG2 4.22Å; F209-I214 HydrophobicContact CE1-CG2 4.22Å; F209-I214 HydrophobicContact CG-CG2 3.74Å; G211-I214 PolarHBondContact O-N 3.14Å; I214-L216 VanDerWaalsContact C-N 3.33Å; I214-L216 PolarHBondContact O-N 2.93Å; I214-F217 PolarHBondContact O-N 2.77Å; I214-H218 WeakPolarHBondContact O-CB 3.28Å; I214-H218 PolarHBondContact O-N 3.46Å
215A68.4Low66.9Low7 Ų768.2 Ų68.26%0.05836%0.357CS..Hα-helixtrans-61.1-40.9174.200000111.9F209 G211 I213 H218 L219F209-A215 HydrophobicContact CB-CB 4.01Å; G211-A215 WeakPolarHBondContact O-CB 3.45Å; G211-A215 PolarHBondContact O-N 3.41Å; I213-A215 VanDerWaalsContact C-N 3.33Å; I213-A215 PolarHBondContact O-N 3.34Å; A215-H218 PolarHBondContact O-N 2.89Å; A215-L219 WeakPolarHBondContact O-CB 3.44Å; A215-L219 WeakPolarHBondContact O-CD1 3.22Å; A215-L219 VanDerWaalsContact O-CG 3.22Å; A215-L219 WeakPolarHBondContact O-CG 3.26Å; A215-L219 PolarHBondContact O-N 3.08Å
216L69.2Low67.1Low34 Ų3465.3 Ų65.318%0.17835%0.35CS..Hα-helixtrans-60.6-51175.8-176.6155.5000111.3A212 I213 I214 H218 L220 L242A212-L216 PolarHBondContact O-N 2.88Å; I213-L216 WeakPolarHBondContact O-CB 3.44Å; I213-L216 PolarHBondContact O-N 3.04Å; I214-L216 VanDerWaalsContact C-N 3.33Å; I214-L216 PolarHBondContact O-N 2.93Å; L216-H218 VanDerWaalsContact C-N 3.33Å; L216-H218 PolarHBondContact O-N 3.44Å; L216-L220 HydrophobicContact CD2-CD2 4.39Å; L216-L220 WeakPolarHBondContact O-CB 3.13Å; L216-L220 PolarHBondContact O-N 3.46Å; L216-L242 HydrophobicContact CD1-CD1 3.71Å; L216-L242 HydrophobicContact CD1-CD2 3.41Å; L216-L242 VanDerWaalsContact CD1-CD2 3.41Å; L216-L242 HydrophobicContact CD1-CG 4.06Å
217F74.2Confident67.3Low139 Ų13969.8 Ų69.861%0.6137%0.37SS*.Hα-helixtrans-64-39.8179.8-80.1-71.1000112I213 I214 A221I213-F217 HydrophobicContact CG2-CD2 3.85Å; I213-F217 HydrophobicContact CG2-CE2 3.72Å; I213-F217 VanDerWaalsContact O-CD2 3.27Å; I213-F217 WeakPolarHBondContact O-CD2 3.47Å; I213-F217 PolarHBondContact O-N 3.08Å; I213-F217 VanDerWaalsContact O-N 3.08Å; I214-F217 PolarHBondContact O-N 2.77Å; F217-A221 WeakPolarHBondContact O-CB 3.19Å; F217-A221 PolarHBondContact O-N 3.28Å; F217-A221 VanDerWaalsContact O-N 3.08Å
218H70.1Confident67.2Low62 Ų6274.6 Ų74.629%0.28738%0.379SS..Hα-helixtrans-65.1-53.9176.5-173.471.3000111.5F209 I214 A215 L216 L220 A221 T222F209-H218 HydrophobicContact CD2-CB 3.63Å; F209-H218 AromaticContact CD2-CD2 3.82Å; F209-H218 AromaticContact CD2-CG 3.64Å; F209-H218 HydrophobicContact CE2-CB 3.74Å; F209-H218 AromaticContact CE2-CD2 3.67Å; F209-H218 AromaticContact CE2-CE1 3.92Å; F209-H218 AromaticContact CE2-CG 3.36Å; F209-H218 AromaticContact CE2-ND1 3.55Å; I214-H218 WeakPolarHBondContact O-CB 3.28Å; I214-H218 PolarHBondContact O-N 3.46Å; A215-H218 PolarHBondContact O-N 2.89Å; L216-H218 VanDerWaalsContact C-N 3.33Å; L216-H218 PolarHBondContact O-N 3.44Å; H218-L220 VanDerWaalsContact C-N 3.28Å; H218-L220 PolarHBondContact O-N 3.23Å; H218-A221 PolarHBondContact O-N 3.5Å; H218-T222 PolarHBondContact O-N 2.82Å; H218-T222 PolarHBondContact O-OG1 3.36Å
219L65.6Low66.8Low22 Ų2273.4 Ų73.412%0.11538%0.375CS..Hα-helixtrans-60.4-36.6-179.3-73.9164.8000112.4A215 A221 R223 A233A215-L219 WeakPolarHBondContact O-CB 3.44Å; A215-L219 WeakPolarHBondContact O-CD1 3.22Å; A215-L219 VanDerWaalsContact O-CG 3.22Å; A215-L219 WeakPolarHBondContact O-CG 3.26Å; A215-L219 PolarHBondContact O-N 3.08Å; L219-A221 VanDerWaalsContact C-N 3.34Å; L219-R223 WeakPolarHBondContact O-CB 3.36Å; L219-R223 PolarHBondContact O-N 3.26Å; L219-A233 HydrophobicContact CD1-CB 4.1Å
220L68.6Low66.5Low71 Ų7175.3 Ų75.337%0.37239%0.386SS..Hα-helixtrans-72.4-27.3177.1-168.965000112.6L216 H218 K226L216-L220 HydrophobicContact CD2-CD2 4.39Å; L216-L220 WeakPolarHBondContact O-CB 3.13Å; L216-L220 PolarHBondContact O-N 3.46Å; H218-L220 VanDerWaalsContact C-N 3.28Å; H218-L220 PolarHBondContact O-N 3.23Å; L220-K226 HydrophobicContact CD1-CB 4.48Å; L220-K226 HydrophobicContact CD1-CG 4.45Å
221A71Confident66.2Low84 Ų8481.5 Ų81.569%0.69441%0.407SS*.Hα-helixtrans-87.8-37.3179.600000113.6F217 H218 L219F217-A221 WeakPolarHBondContact O-CB 3.19Å; F217-A221 PolarHBondContact O-N 3.28Å; F217-A221 VanDerWaalsContact O-N 3.08Å; H218-A221 PolarHBondContact O-N 3.5Å; L219-A221 VanDerWaalsContact C-N 3.34Å
222T69.7Low65.9Low91 Ų9184.9 Ų84.956%0.55842%0.423SS*.Hα-helixtrans-90.2-22.4-177.136.60000114.8H218H218-T222 PolarHBondContact O-N 2.82Å; H218-T222 PolarHBondContact O-OG1 3.36Å
223R61.5Low65.3Low138 Ų13885.3 Ų85.352%0.52143%0.427SS..  trans-96.9135.4-179.9-69.2-83.2-170.91690112.2L219 A229L219-R223 WeakPolarHBondContact O-CB 3.36Å; L219-R223 PolarHBondContact O-N 3.26Å; R223-A229 HydrophobicContact CB-CB 4.01Å; R223-A229 HydrophobicContact CG-CB 4.42Å
224T55.7Low64.6Low134 Ų13486.2 Ų86.282%0.82243%0.429SS*.SBendtrans-72.5-31.9175.745.10000113.1K226T224-K226 PolarHBondContact O-N 3.17Å
225D61.4Low64Low104 Ų10491.5 Ų91.556%0.55645%0.447SS*.  trans-88.684.9178.4-72.1-32.4000112.4V227 R228 A229D225-V227 VanDerWaalsContact C-N 3.28Å; D225-V227 PolarHBondContact O-N 3.43Å; D225-R228 HydrophobicContact CB-CB 4.16Å; D225-R228 PolarHBondContact O-N 3.29Å; D225-A229 WeakPolarHBondContact O-CB 3.46Å; D225-A229 PolarHBondContact O-N 3.34Å
226K61.6Low63.7Low145 Ų14592.5 Ų92.563%0.6345%0.449SS*.Hα-helixtrans-55.9-36.7-176.4-62.8-179.2-178.2-179.80113.9L220 T224 L230L220-K226 HydrophobicContact CD1-CB 4.48Å; L220-K226 HydrophobicContact CD1-CG 4.45Å; T224-K226 PolarHBondContact O-N 3.17Å; K226-L230 VanDerWaalsContact O-CB 3.32Å; K226-L230 WeakPolarHBondContact O-CB 3.48Å; K226-L230 PolarHBondContact O-N 3.07Å
227V63.8Low62.9Low127 Ų127100 Ų10077%0.7748%0.484SS*.Hα-helixtrans-74.8-37-176.2-174.90000112D225 R231D225-V227 VanDerWaalsContact C-N 3.28Å; D225-V227 PolarHBondContact O-N 3.43Å; V227-R231 PolarHBondContact O-N 3.31Å; V227-R231 VanDerWaalsContact O-N 3.08Å
228R61.1Low62Low184 Ų18499.9 Ų99.969%0.69449%0.489SS*.Hα-helixtrans-75.4-40.4178.6-160.9172.4-175.9171.71.2110.8D225 L230 R231 E232D225-R228 HydrophobicContact CB-CB 4.16Å; D225-R228 PolarHBondContact O-N 3.29Å; R228-L230 VanDerWaalsContact C-N 3.33Å; R228-L230 PolarHBondContact O-N 3.07Å; R228-R231 PolarHBondContact O-N 3.1Å; R228-E232 VanDerWaalsContact O-CB 3.31Å; R228-E232 WeakPolarHBondContact O-CB 3.41Å; R228-E232 PolarHBondContact O-N 3.17Å
229A57.9Low61.5Low6 Ų698.2 Ų98.25%0.0548%0.482CS..Hα-helixtrans-61.7-39.2172.700000112.2R223 D225 A233R223-A229 HydrophobicContact CB-CB 4.01Å; R223-A229 HydrophobicContact CG-CB 4.42Å; D225-A229 WeakPolarHBondContact O-CB 3.46Å; D225-A229 PolarHBondContact O-N 3.34Å; A229-A233 VanDerWaalsContact O-CB 3.23Å; A229-A233 WeakPolarHBondContact O-CB 3.4Å; A229-A233 PolarHBondContact O-N 3.47Å
230L60.7Low61.2Low85 Ų8598.4 Ų98.445%0.44549%0.485SS..Hα-helixtrans-66.1-47.1175-148.1114.6000110.8K226 R228 E232 A233 F234K226-L230 VanDerWaalsContact O-CB 3.32Å; K226-L230 WeakPolarHBondContact O-CB 3.48Å; K226-L230 PolarHBondContact O-N 3.07Å; R228-L230 VanDerWaalsContact C-N 3.33Å; R228-L230 PolarHBondContact O-N 3.07Å; L230-E232 VanDerWaalsContact C-N 3.3Å; L230-E232 PolarHBondContact O-N 2.96Å; L230-A233 PolarHBondContact O-N 3.16Å; L230-F234 HydrophobicContact CD2-CD2 3.83Å; L230-F234 HydrophobicContact CD2-CE2 3.59Å; L230-F234 HydrophobicContact CG-CD2 3.92Å; L230-F234 HydrophobicContact CG-CE2 3.81Å; L230-F234 WeakPolarHBondContact O-CB 3.25Å; L230-F234 VanDerWaalsContact O-CD2 3.24Å; L230-F234 WeakPolarHBondContact O-CD2 3.4Å; L230-F234 PolarHBondContact O-N 3.06Å
231R61.4Low61.1Low185 Ų18595.9 Ų95.970%0.69847%0.472SS*.Hα-helixtrans-61.4-38.8178.3-167.9176.9-177.4-176.60.5112.4V227 R228 F234 Y235V227-R231 PolarHBondContact O-N 3.31Å; V227-R231 VanDerWaalsContact O-N 3.08Å; R228-R231 PolarHBondContact O-N 3.1Å; R231-F234 PolarHBondContact O-N 3.34Å; R231-Y235 HydrophobicContact CG-CD2 4.07Å; R231-Y235 WeakPolarHBondContact O-CB 3.37Å; R231-Y235 PolarHBondContact O-N 3.19Å
232E63.1Low61.1Low71 Ų7193.1 Ų93.133%0.33245%0.445SS..Hα-helixtrans-72.9-33.9178.5-163.5163.6-157.600112.3R228 L230R228-E232 VanDerWaalsContact O-CB 3.31Å; R228-E232 WeakPolarHBondContact O-CB 3.41Å; R228-E232 PolarHBondContact O-N 3.17Å; L230-E232 VanDerWaalsContact C-N 3.3Å; L230-E232 PolarHBondContact O-N 2.96Å
233A58.8Low61.3Low14 Ų1491.9 Ų91.912%0.11644%0.435CS..Hα-helixtrans-72.8-25.7172.500000113.6L219 A229 L230L219-A233 HydrophobicContact CD1-CB 4.1Å; A229-A233 VanDerWaalsContact O-CB 3.23Å; A229-A233 WeakPolarHBondContact O-CB 3.4Å; A229-A233 PolarHBondContact O-N 3.47Å; L230-A233 PolarHBondContact O-N 3.16Å
234F60.6Low62Low56 Ų5687 Ų8725%0.24642%0.419CS..Hα-helixtrans-88-30.8177.8-90.4-91.1000113.7L230 R231 L242 L243 I246L230-F234 HydrophobicContact CD2-CD2 3.83Å; L230-F234 HydrophobicContact CD2-CE2 3.59Å; L230-F234 HydrophobicContact CG-CD2 3.92Å; L230-F234 HydrophobicContact CG-CE2 3.81Å; L230-F234 WeakPolarHBondContact O-CB 3.25Å; L230-F234 VanDerWaalsContact O-CD2 3.24Å; L230-F234 WeakPolarHBondContact O-CD2 3.4Å; L230-F234 PolarHBondContact O-N 3.06Å; R231-F234 PolarHBondContact O-N 3.34Å; F234-L242 HydrophobicContact CD1-CB 4.48Å; F234-L242 HydrophobicContact CE1-CB 4.45Å; F234-L242 HydrophobicContact CE1-CD2 3.79Å; F234-L242 HydrophobicContact CE2-CD2 3.79Å; F234-L242 HydrophobicContact CZ-CD2 3.39Å; F234-L243 HydrophobicContact CD1-CB 4.49Å; F234-I246 HydrophobicContact CE1-CD1 4.01Å
235Y59.7Low63.2Low163 Ų16382.5 Ų82.564%0.63939%0.39SS*.SBendtrans-120.938.2-172.1-70.4-81.1000114.2R231 Q237 L243R231-Y235 HydrophobicContact CG-CD2 4.07Å; R231-Y235 WeakPolarHBondContact O-CB 3.37Å; R231-Y235 PolarHBondContact O-N 3.19Å; Y235-Q237 PolarHBondContact O-N 2.9Å; Y235-L243 HydrophobicContact CE1-CD1 4.3Å
236R61.8Low64.2Low27 Ų2781.9 Ų81.910%0.10239%0.385CS..  trans-78.4121.4178.4-145.7170.4-175.5169.348.7110.5E208 F209 L239 N241E208-R236 VanDerWaalsContact CB-NH2 3.25Å; E208-R236 IonicContact OE1-CZ 3.08Å; E208-R236 IonicContact OE1-NE 3.32Å; E208-R236 IonicContact OE1-NH2 2.68Å; E208-R236 PolarHBondContact OE1-NH2 3.16Å; E208-R236 IonicContact OE2-CZ 2.57Å; E208-R236 IonicContact OE2-NE 2.75Å; E208-R236 PolarHBondContact OE2-NE 3.33Å; E208-R236 IonicContact OE2-NH1 3.99Å; E208-R236 IonicContact OE2-NH2 2.69Å; E208-R236 PolarHBondContact OE2-NH2 3.18Å; F209-R236 PolarHBondContact O-NH1 2.91Å; R236-L239 HydrophobicContact CG-CB 4.45Å; R236-N241 VanDerWaalsContact CA-OD1 3.26Å; R236-N241 WeakPolarHBondContact CA-OD1 3.18Å; R236-N241 WeakPolarHBondContact CB-OD1 3.09Å; R236-N241 PolarHBondContact N-ND2 3.16Å; R236-N241 PolarHBondContact N-OD1 2.84Å; R236-N241 PolarHBondContact O-ND2 3.22Å; R236-N241 PolarHBondContact O-OD1 3.25Å
237Q53.8Low65.1Low193 Ų19375.4 Ų75.490%0.90236%0.359SS*.SBendtrans-77.1-25.8-177.2-73.3180-24.700113.5Y235Y235-Q237 PolarHBondContact O-N 2.9Å
238N55.1Low66.1Low136 Ų13670 Ų7073%0.72733%0.326SS*.SBendtrans-101.5-9.4-169.2-67.1-1.3000114.9
239L59Low67.3Low26 Ų2665.5 Ų65.514%0.13632%0.319CS..SBendtrans-138.1157.7-172.1-76.6157.2000110.9E208 E210 R236 N241E208-L239 HydrophobicContact CB-CD1 4.29Å; E210-L239 HydrophobicContact CG-CD2 4.23Å; R236-L239 HydrophobicContact CG-CB 4.45Å; L239-N241 PolarHBondContact O-N 2.77Å; L239-N241 VanDerWaalsContact O-N 3.14Å
240P58.7Low68.6Low26 Ų2671 Ų7117%0.16934%0.342CS..  trans-54118.4178.4-24.333.7000112.2K194 A212 I441K194-P240 HydrophobicContact CB-CG 4.34Å; K194-P240 HydrophobicContact CG-CG 4.47Å; A212-P240 HydrophobicContact CB-CB 4.46Å; A212-P240 WeakPolarHBondContact CB-O 3.3Å; P240-I441 HydrophobicContact CB-CD1 4.41Å
241N67.2Low69.8Low18 Ų1866.9 Ų66.910%0.09632%0.321CS..  trans-87.7156.7-179.9-71.7-35.6000113R236 L239 L243 N244 L245R236-N241 VanDerWaalsContact CA-OD1 3.26Å; R236-N241 WeakPolarHBondContact CA-OD1 3.18Å; R236-N241 WeakPolarHBondContact CB-OD1 3.09Å; R236-N241 PolarHBondContact N-ND2 3.16Å; R236-N241 PolarHBondContact N-OD1 2.84Å; R236-N241 PolarHBondContact O-ND2 3.22Å; R236-N241 PolarHBondContact O-OD1 3.25Å; L239-N241 PolarHBondContact O-N 2.77Å; L239-N241 VanDerWaalsContact O-N 3.14Å; N241-L243 HydrophobicContact CB-CB 4.27Å; N241-L243 PolarHBondContact O-N 3.33Å; N241-N244 HydrophobicContact CB-CB 4.34Å; N241-N244 WeakPolarHBondContact O-CB 3.48Å; N241-N244 PolarHBondContact O-N 2.9Å; N241-N244 VanDerWaalsContact O-N 3.16Å; N241-L245 PolarHBondContact O-N 3.32Å; N241-L245 VanDerWaalsContact O-N 3.13Å
242L71Confident70.9Confident27 Ų2762.2 Ų62.214%0.14131%0.305CS..Hα-helixtrans-61.4-33.2165.3-157.880.5000111.8L216 F234 N244 L245 I246L216-L242 HydrophobicContact CD1-CD1 3.71Å; L216-L242 HydrophobicContact CD1-CD2 3.41Å; L216-L242 VanDerWaalsContact CD1-CD2 3.41Å; L216-L242 HydrophobicContact CD1-CG 4.06Å; F234-L242 HydrophobicContact CD1-CB 4.48Å; F234-L242 HydrophobicContact CE1-CB 4.45Å; F234-L242 HydrophobicContact CE1-CD2 3.79Å; F234-L242 HydrophobicContact CE2-CD2 3.79Å; F234-L242 HydrophobicContact CZ-CD2 3.39Å; L242-N244 VanDerWaalsContact C-N 3.32Å; L242-N244 PolarHBondContact O-N 3Å; L242-L245 PolarHBondContact O-N 2.8Å; L242-I246 HydrophobicContact CD2-CD1 4.26Å; L242-I246 HydrophobicContact CG-CD1 4.35Å; L242-I246 WeakPolarHBondContact O-CG1 3.27Å; L242-I246 PolarHBondContact O-N 3.43Å
243L73.9Confident72.1Confident64 Ų6461.5 Ų61.534%0.33531%0.312SS..Hα-helixtrans-61.2-41.9174.3-168.5151.1000111.2F234 Y235 N241 L245 I246 A247F234-L243 HydrophobicContact CD1-CB 4.49Å; Y235-L243 HydrophobicContact CE1-CD1 4.3Å; N241-L243 HydrophobicContact CB-CB 4.27Å; N241-L243 PolarHBondContact O-N 3.33Å; L243-L245 VanDerWaalsContact C-N 3.31Å; L243-L245 PolarHBondContact O-N 2.92Å; L243-I246 PolarHBondContact O-N 3.44Å; L243-A247 VanDerWaalsContact O-CB 3.28Å; L243-A247 WeakPolarHBondContact O-CB 3.36Å; L243-A247 PolarHBondContact O-N 3.02Å
244N76Confident73.4Confident35 Ų3562.2 Ų62.219%0.18732%0.315CS..Hα-helixtrans-66.1-36.4177.6-62.210.8000111N241 L242 T248 G439 I441N241-N244 HydrophobicContact CB-CB 4.34Å; N241-N244 WeakPolarHBondContact O-CB 3.48Å; N241-N244 PolarHBondContact O-N 2.9Å; N241-N244 VanDerWaalsContact O-N 3.16Å; L242-N244 VanDerWaalsContact C-N 3.32Å; L242-N244 PolarHBondContact O-N 3Å; N244-T248 WeakPolarHBondContact O-CB 3.33Å; N244-T248 PolarHBondContact O-N 3.5Å; N244-T248 PolarHBondContact O-OG1 3.29Å; N244-G439 WeakPolarHBondContact CB-O 3.42Å; N244-G439 PolarHBondContact ND2-O 3.32Å; N244-I441 HydrophobicContact CB-CD1 4.08Å; N244-I441 HydrophobicContact CB-CG1 3.63Å
245L80.4Confident74.6Confident40 Ų4059.6 Ų59.621%0.20930%0.303CS..Hα-helixtrans-67.2-45.2175.1-169.4147.6000111.6A195 I213 N241 L242 L243 A247 T248 V249 I441A195-L245 HydrophobicContact CB-CD1 3.69Å; I213-L245 HydrophobicContact CD1-CD1 3.91Å; I213-L245 HydrophobicContact CG1-CD1 4.04Å; N241-L245 PolarHBondContact O-N 3.32Å; N241-L245 VanDerWaalsContact O-N 3.13Å; L242-L245 PolarHBondContact O-N 2.8Å; L243-L245 VanDerWaalsContact C-N 3.31Å; L243-L245 PolarHBondContact O-N 2.92Å; L245-A247 VanDerWaalsContact C-N 3.34Å; L245-A247 PolarHBondContact O-N 3.29Å; L245-T248 WeakPolarHBondContact O-CB 3.49Å; L245-T248 PolarHBondContact O-N 2.98Å; L245-V249 HydrophobicContact CD2-CG2 4.42Å; L245-V249 WeakPolarHBondContact O-CG2 3.42Å; L245-V249 PolarHBondContact O-N 3.35Å; L245-I441 HydrophobicContact CB-CD1 3.93Å
246I82.7Confident75.8Confident91 Ų9154.9 Ų54.947%0.46729%0.288SS..Hα-helixtrans-62.8-42.9175.4-67.5165.5000110.7F234 L242 L243 T248 V249 F250F234-I246 HydrophobicContact CE1-CD1 4.01Å; L242-I246 HydrophobicContact CD2-CD1 4.26Å; L242-I246 HydrophobicContact CG-CD1 4.35Å; L242-I246 WeakPolarHBondContact O-CG1 3.27Å; L242-I246 PolarHBondContact O-N 3.43Å; L243-I246 PolarHBondContact O-N 3.44Å; I246-T248 VanDerWaalsContact C-N 3.28Å; I246-T248 PolarHBondContact O-N 3.48Å; I246-V249 PolarHBondContact O-N 2.81Å; I246-F250 WeakPolarHBondContact O-CB 3.28Å; I246-F250 PolarHBondContact O-N 3.21Å
247A81.2Confident77Confident9 Ų961 Ų617%0.07431%0.312CS..Hα-helixtrans-58.8-40.9173.800000111.7L243 L245 F250 V251 L438L243-A247 VanDerWaalsContact O-CB 3.28Å; L243-A247 WeakPolarHBondContact O-CB 3.36Å; L243-A247 PolarHBondContact O-N 3.02Å; L245-A247 VanDerWaalsContact C-N 3.34Å; L245-A247 PolarHBondContact O-N 3.29Å; A247-F250 PolarHBondContact O-N 2.97Å; A247-V251 WeakPolarHBondContact O-CB 3.44Å; A247-V251 VanDerWaalsContact O-CG2 3.28Å; A247-V251 WeakPolarHBondContact O-CG2 3.25Å; A247-V251 PolarHBondContact O-N 3.18Å; A247-L438 HydrophobicContact CB-CB 3.93Å
248T83.4Confident78.4Confident13 Ų1354.9 Ų54.98%0.0828%0.283CS..Hα-helixtrans-62.4-45.3176.4-54.30000111.3N244 L245 I246 F250 V251 F252 I441 I447N244-T248 WeakPolarHBondContact O-CB 3.33Å; N244-T248 PolarHBondContact O-N 3.5Å; N244-T248 PolarHBondContact O-OG1 3.29Å; L245-T248 WeakPolarHBondContact O-CB 3.49Å; L245-T248 PolarHBondContact O-N 2.98Å; I246-T248 VanDerWaalsContact C-N 3.28Å; I246-T248 PolarHBondContact O-N 3.48Å; T248-F250 VanDerWaalsContact C-N 3.34Å; T248-F250 PolarHBondContact O-N 3.46Å; T248-V251 PolarHBondContact O-N 3.36Å; T248-F252 VanDerWaalsContact O-CB 3.27Å; T248-F252 WeakPolarHBondContact O-CB 3.49Å; T248-F252 PolarHBondContact O-N 3.1Å; T248-I441 PolarHBondContact OG1-N 3.3Å; T248-I447 HydrophobicContact CG2-CD1 3.85Å; T248-I447 HydrophobicContact CG2-CG1 4.27Å
249V86.1Confident79.6Confident91 Ų9149.1 Ų49.155%0.55225%0.252SS*.Hα-helixtrans-64-40.2176174.80000111.4L245 I246 F252 A253L245-V249 HydrophobicContact CD2-CG2 4.42Å; L245-V249 WeakPolarHBondContact O-CG2 3.42Å; L245-V249 PolarHBondContact O-N 3.35Å; I246-V249 PolarHBondContact O-N 2.81Å; V249-F252 WeakPolarHBondContact O-CB 3.34Å; V249-F252 PolarHBondContact O-N 3.16Å; V249-A253 PolarHBondContact O-N 3.17Å
250F86.5Confident80.6Confident120 Ų12050 Ų5053%0.52627%0.267SS..Hα-helixtrans-62.9-49.6176.8177.3-102.1000111.6I246 A247 T248 F252 A253 V254 L438I246-F250 WeakPolarHBondContact O-CB 3.28Å; I246-F250 PolarHBondContact O-N 3.21Å; A247-F250 PolarHBondContact O-N 2.97Å; T248-F250 VanDerWaalsContact C-N 3.34Å; T248-F250 PolarHBondContact O-N 3.46Å; F250-F252 VanDerWaalsContact C-N 3.31Å; F250-F252 PolarHBondContact O-N 2.83Å; F250-A253 PolarHBondContact O-N 3.4Å; F250-V254 HydrophobicContact CD1-CG2 4.43Å; F250-V254 HydrophobicContact CE1-CG2 4.04Å; F250-V254 HydrophobicContact CE2-CG2 4.2Å; F250-V254 HydrophobicContact CZ-CG2 3.92Å; F250-V254 WeakPolarHBondContact O-CG2 3.29Å; F250-V254 PolarHBondContact O-N 3.16Å; F250-L438 HydrophobicContact CD1-CD1 4.29Å
251V85.3Confident81.9Confident0 Ų053.1 Ų53.10%028%0.278CS..Hα-helixtrans-58.1-45.7174.9170.50000110.2A247 T248 A253 V254 V255 A435 L438 I447A247-V251 WeakPolarHBondContact O-CB 3.44Å; A247-V251 VanDerWaalsContact O-CG2 3.28Å; A247-V251 WeakPolarHBondContact O-CG2 3.25Å; A247-V251 PolarHBondContact O-N 3.18Å; T248-V251 PolarHBondContact O-N 3.36Å; V251-A253 VanDerWaalsContact C-N 3.35Å; V251-A253 PolarHBondContact O-N 3.43Å; V251-V254 PolarHBondContact O-N 3.21Å; V251-V255 HydrophobicContact CG1-CG2 4.12Å; V251-V255 VanDerWaalsContact O-CG2 3.22Å; V251-V255 WeakPolarHBondContact O-CG2 3.44Å; V251-V255 PolarHBondContact O-N 3.35Å; V251-A435 HydrophobicContact CB-CB 4.47Å; V251-A435 HydrophobicContact CG1-CB 3.8Å; V251-A435 HydrophobicContact CG2-CB 3.9Å; V251-L438 HydrophobicContact CG2-CD1 4.05Å; V251-I447 HydrophobicContact CG1-CG2 4.43Å
252F85.4Confident82.7Confident86 Ų8659.7 Ų59.738%0.37730%0.301SS..Hα-helixtrans-55.5-47.2178.2-174-90.1000112.2T248 V249 F250 V255 I256 V451T248-F252 VanDerWaalsContact O-CB 3.27Å; T248-F252 WeakPolarHBondContact O-CB 3.49Å; T248-F252 PolarHBondContact O-N 3.1Å; V249-F252 WeakPolarHBondContact O-CB 3.34Å; V249-F252 PolarHBondContact O-N 3.16Å; F250-F252 VanDerWaalsContact C-N 3.31Å; F250-F252 PolarHBondContact O-N 2.83Å; F252-V255 PolarHBondContact O-N 3.41Å; F252-I256 HydrophobicContact CD1-CD1 3.63Å; F252-I256 HydrophobicContact CE1-CD1 3.18Å; F252-I256 HydrophobicContact CE1-CG1 4.35Å; F252-I256 HydrophobicContact CZ-CD1 3.74Å; F252-I256 WeakPolarHBondContact O-CG1 3.47Å; F252-I256 PolarHBondContact O-N 3.23Å; F252-I256 VanDerWaalsContact O-N 3.13Å; F252-V451 HydrophobicContact CD2-CB 4.34Å; F252-V451 HydrophobicContact CD2-CG1 4.39Å; F252-V451 HydrophobicContact CD2-CG2 3.18Å; F252-V451 HydrophobicContact CE2-CB 4.25Å; F252-V451 HydrophobicContact CE2-CG1 4.2Å; F252-V451 HydrophobicContact CE2-CG2 3.45Å; F252-V451 VanDerWaalsContact CE2-CG2 3.45Å; F252-V451 HydrophobicContact CG-CG2 4.1Å
253A87.1Confident83.3Confident56 Ų5661.8 Ų61.846%0.46332%0.315SS..Hα-helixtrans-63.5-42.8177.400000112.6V249 F250 V251 I256 Y257V249-A253 PolarHBondContact O-N 3.17Å; F250-A253 PolarHBondContact O-N 3.4Å; V251-A253 VanDerWaalsContact C-N 3.35Å; V251-A253 PolarHBondContact O-N 3.43Å; A253-I256 PolarHBondContact O-N 3.48Å; A253-Y257 PolarHBondContact O-N 3.3Å; A253-Y257 VanDerWaalsContact O-N 3.08Å
254V87.5Confident83.8Confident30 Ų3061.9 Ų61.918%0.18232%0.316CS..Hα-helixtrans-63.3-43.1178.2172.90000111F250 V251 Y257 F258 L431 M434F250-V254 HydrophobicContact CD1-CG2 4.43Å; F250-V254 HydrophobicContact CE1-CG2 4.04Å; F250-V254 HydrophobicContact CE2-CG2 4.2Å; F250-V254 HydrophobicContact CZ-CG2 3.92Å; F250-V254 WeakPolarHBondContact O-CG2 3.29Å; F250-V254 PolarHBondContact O-N 3.16Å; V251-V254 PolarHBondContact O-N 3.21Å; V254-Y257 WeakPolarHBondContact O-CB 3.39Å; V254-Y257 PolarHBondContact O-N 2.98Å; V254-F258 HydrophobicContact CG1-CD2 3.61Å; V254-F258 HydrophobicContact CG1-CE2 3.52Å; V254-F258 VanDerWaalsContact O-CD2 3.24Å; V254-F258 WeakPolarHBondContact O-CD2 3.2Å; V254-F258 PolarHBondContact O-N 3.47Å; V254-L431 HydrophobicContact CG1-CD2 3.67Å; V254-M434 HydrophobicContact CG1-CE 4.34Å
255V84.9Confident84.1Confident0 Ų060.7 Ų60.70%031%0.309CS..Hα-helixtrans-63.3-45.1179.4174.90000111.4V251 F252 Y257 F258 Q259 L431 L448 V451V251-V255 HydrophobicContact CG1-CG2 4.12Å; V251-V255 VanDerWaalsContact O-CG2 3.22Å; V251-V255 WeakPolarHBondContact O-CG2 3.44Å; V251-V255 PolarHBondContact O-N 3.35Å; F252-V255 PolarHBondContact O-N 3.41Å; V255-Y257 VanDerWaalsContact C-N 3.27Å; V255-Y257 PolarHBondContact O-N 2.95Å; V255-F258 PolarHBondContact O-N 3.44Å; V255-Q259 WeakPolarHBondContact O-CB 3.49Å; V255-Q259 PolarHBondContact O-N 3.41Å; V255-L431 HydrophobicContact CG2-CD1 4.33Å; V255-L448 HydrophobicContact CB-CD2 4.28Å; V255-L448 HydrophobicContact CG1-CD2 3.87Å; V255-L448 HydrophobicContact CG2-CD2 3.32Å; V255-L448 HydrophobicContact CG2-CG 4.31Å; V255-V451 HydrophobicContact CB-CG1 4.14Å; V255-V451 HydrophobicContact CG1-CB 3.9Å; V255-V451 HydrophobicContact CG1-CG1 3.63Å; V255-V451 HydrophobicContact CG1-CG2 4.47Å
256I85.3Confident84.1Confident64 Ų6462 Ų6233%0.32832%0.32SS..Hα-helixtrans-58.7-42.7175.8-69.9172.6000110.9F252 A253 Q259 G260 V451F252-I256 HydrophobicContact CD1-CD1 3.63Å; F252-I256 HydrophobicContact CE1-CD1 3.18Å; F252-I256 HydrophobicContact CE1-CG1 4.35Å; F252-I256 HydrophobicContact CZ-CD1 3.74Å; F252-I256 WeakPolarHBondContact O-CG1 3.47Å; F252-I256 PolarHBondContact O-N 3.23Å; F252-I256 VanDerWaalsContact O-N 3.13Å; A253-I256 PolarHBondContact O-N 3.48Å; I256-Q259 PolarHBondContact O-N 2.95Å; I256-G260 PolarHBondContact O-N 3.35Å; I256-V451 HydrophobicContact CD1-CG1 4.45Å; I256-V451 HydrophobicContact CG1-CG1 3.69Å
257Y86.7Confident84Confident155 Ų15557.9 Ų57.961%0.60830%0.299SS*.Hα-helixtrans-60.7-47.6177.7179.6-102.8000111.8A253 V254 V255 Q259 G260 F261A253-Y257 PolarHBondContact O-N 3.3Å; A253-Y257 VanDerWaalsContact O-N 3.08Å; V254-Y257 WeakPolarHBondContact O-CB 3.39Å; V254-Y257 PolarHBondContact O-N 2.98Å; V255-Y257 VanDerWaalsContact C-N 3.27Å; V255-Y257 PolarHBondContact O-N 2.95Å; Y257-Q259 VanDerWaalsContact C-N 3.28Å; Y257-Q259 PolarHBondContact O-N 3.01Å; Y257-G260 PolarHBondContact O-N 3.4Å; Y257-F261 AromaticContact CD1-CE2 3.88Å; Y257-F261 HydrophobicContact CD1-CE2 3.88Å; Y257-F261 AromaticContact CE1-CE2 3.52Å; Y257-F261 HydrophobicContact CE1-CE2 3.52Å; Y257-F261 AromaticContact CE1-CZ 3.78Å; Y257-F261 HydrophobicContact CE1-CZ 3.78Å; Y257-F261 AromaticContact CZ-CE2 3.93Å; Y257-F261 AromaticContact CZ-CZ 3.97Å; Y257-F261 WeakPolarHBondContact O-CD2 3.46Å
258F84Confident83.9Confident65 Ų6561.2 Ų61.229%0.28531%0.312SS..Hα-helixtrans-65.3-31.2177.1-82.1-70.4000113.3V254 V255 G260 F261 L283 F284 L431V254-F258 HydrophobicContact CG1-CD2 3.61Å; V254-F258 HydrophobicContact CG1-CE2 3.52Å; V254-F258 VanDerWaalsContact O-CD2 3.24Å; V254-F258 WeakPolarHBondContact O-CD2 3.2Å; V254-F258 PolarHBondContact O-N 3.47Å; V255-F258 PolarHBondContact O-N 3.44Å; F258-G260 VanDerWaalsContact C-N 3.25Å; F258-G260 PolarHBondContact O-N 3.26Å; F258-F261 HydrophobicContact CD1-CD2 4.4Å; F258-F261 HydrophobicContact CD1-CE2 4.31Å; F258-F261 WeakPolarHBondContact O-CD2 3.46Å; F258-F261 PolarHBondContact O-N 3.43Å; F258-L283 HydrophobicContact CD1-CD2 4.42Å; F258-F284 HydrophobicContact CB-CE2 4.26Å; F258-F284 HydrophobicContact CB-CZ 3.87Å; F258-L431 HydrophobicContact CB-CD1 4.42Å; F258-L431 HydrophobicContact CD2-CD1 4.05Å; F258-L431 HydrophobicContact CD2-CD2 4.13Å; F258-L431 HydrophobicContact CE2-CD2 4.19Å; F258-L431 HydrophobicContact CG-CD1 4.39Å
259Q80Confident83.5Confident16 Ų1661.6 Ų61.68%0.07532%0.315CS..Hα-helixtrans-71.3-21.5179.2-164.4156.3-2.200113.5V255 I256 Y257 F261 F284 T452 Y455V255-Q259 WeakPolarHBondContact O-CB 3.49Å; V255-Q259 PolarHBondContact O-N 3.41Å; I256-Q259 PolarHBondContact O-N 2.95Å; Y257-Q259 VanDerWaalsContact C-N 3.28Å; Y257-Q259 PolarHBondContact O-N 3.01Å; Q259-F261 PolarHBondContact O-N 3.47Å; Q259-F284 HydrophobicContact CB-CD2 4.13Å; Q259-F284 HydrophobicContact CB-CE2 3.94Å; Q259-F284 HydrophobicContact CG-CD2 3.99Å; Q259-F284 HydrophobicContact CG-CE2 4.29Å; Q259-T452 PolarHBondContact NE2-O 3.02Å; Q259-Y455 VanDerWaalsContact CD-CD1 3.42Å; Q259-Y455 VanDerWaalsContact CD-CG 3.48Å; Q259-Y455 HydrophobicContact CG-CD1 3.52Å; Q259-Y455 HydrophobicContact CG-CD2 4.39Å; Q259-Y455 HydrophobicContact CG-CE1 3.73Å; Q259-Y455 HydrophobicContact CG-CG 3.87Å
260G80.3Confident82.7Confident43 Ų4360.3 Ų60.344%0.44331%0.314SS..THydrogen-bonded Turntrans-70.7-14.5172.800000114.6I256 Y257 F258 R262I256-G260 PolarHBondContact O-N 3.35Å; Y257-G260 PolarHBondContact O-N 3.4Å; F258-G260 VanDerWaalsContact C-N 3.25Å; F258-G260 PolarHBondContact O-N 3.26Å; G260-R262 PolarHBondContact O-N 2.85Å
261F85.4Confident82Confident92 Ų9264 Ų6440%0.40432%0.324SS..  trans-72.3116.4-179.2-76.3-99.2000111.4Y257 F258 Q259 L283Y257-F261 AromaticContact CD1-CE2 3.88Å; Y257-F261 HydrophobicContact CD1-CE2 3.88Å; Y257-F261 AromaticContact CE1-CE2 3.52Å; Y257-F261 HydrophobicContact CE1-CE2 3.52Å; Y257-F261 AromaticContact CE1-CZ 3.78Å; Y257-F261 HydrophobicContact CE1-CZ 3.78Å; Y257-F261 AromaticContact CZ-CE2 3.93Å; Y257-F261 AromaticContact CZ-CZ 3.97Å; Y257-F261 WeakPolarHBondContact O-CD2 3.46Å; F258-F261 HydrophobicContact CD1-CD2 4.4Å; F258-F261 HydrophobicContact CD1-CE2 4.31Å; F258-F261 WeakPolarHBondContact O-CD2 3.46Å; F258-F261 PolarHBondContact O-N 3.43Å; Q259-F261 PolarHBondContact O-N 3.47Å; F261-L283 HydrophobicContact CB-CB 3.95Å; F261-L283 HydrophobicContact CB-CD2 4.09Å; F261-L283 PolarHBondContact O-N 3.33Å
262R83.6Confident81.4Confident157 Ų15770.7 Ų70.759%0.59235%0.351SS*.EExtended strand (participates in β ladder)trans-137.1146.4174.168-176.9-168.9-152.9-5.3111.2G260 D264 P280 I281 K282G260-R262 PolarHBondContact O-N 2.85Å; R262-D264 IonicContact CZ-OD2 3.87Å; R262-D264 IonicContact NE-OD1 3.15Å; R262-D264 PolarHBondContact NE-OD1 2.87Å; R262-D264 IonicContact NE-OD2 3.9Å; R262-D264 PolarHBondContact NE-OD2 2.86Å; R262-D264 VanDerWaalsContact NE-OD2 3.15Å; R262-D264 IonicContact NH2-OD2 3.88Å; R262-P280 HydrophobicContact CB-CB 4.46Å; R262-I281 WeakPolarHBondContact CA-O 3.47Å; R262-K282 HydrophobicContact CB-CG 4.4Å
263V84.3Confident80.6Confident71 Ų7179.1 Ų79.143%0.4338%0.38SS..EExtended strand (participates in β ladder)trans-105.5109.4172.5179.50000107.4I281 Y416V263-I281 PolarHBondContact N-O 3.17Å; V263-I281 PolarHBondContact O-N 3.01Å; V263-Y416 HydrophobicContact CG1-CD1 4.4Å; V263-Y416 HydrophobicContact CG1-CE1 4.42Å
264D83.3Confident79.8Confident66 Ų6679.4 Ų79.435%0.35339%0.388SS..EExtended strand (participates in β ladder)trans-87.7113.4-177.9-69.7-34.8000110.1R262 T278 P280R262-D264 IonicContact CZ-OD2 3.87Å; R262-D264 IonicContact NE-OD1 3.15Å; R262-D264 PolarHBondContact NE-OD1 2.87Å; R262-D264 IonicContact NE-OD2 3.9Å; R262-D264 PolarHBondContact NE-OD2 2.86Å; R262-D264 VanDerWaalsContact NE-OD2 3.15Å; R262-D264 IonicContact NH2-OD2 3.88Å; D264-T278 HydrophobicContact CB-CG2 4.43Å; D264-P280 VanDerWaalsContact OD1-CA 3.31Å; D264-P280 WeakPolarHBondContact OD1-CA 3.37Å; D264-P280 WeakPolarHBondContact OD1-CB 3.19Å
265L82.4Confident79.1Confident9 Ų982.4 Ų82.45%0.04740%0.4CS..EExtended strand (participates in β ladder)trans-95126.5175.3-67.6175.1000110.4I267 T278 Y279 I281 M401 L413 Y416L265-I267 PolarHBondContact O-N 2.65Å; L265-T278 WeakPolarHBondContact O-CA 3.26Å; L265-Y279 PolarHBondContact N-O 3.31Å; L265-Y279 PolarHBondContact O-N 2.59Å; L265-I281 HydrophobicContact CD1-CD1 3.43Å; L265-I281 VanDerWaalsContact CD1-CD1 3.43Å; L265-I281 HydrophobicContact CD1-CG1 4.17Å; L265-I281 HydrophobicContact CG-CD1 4.35Å; L265-M401 HydrophobicContact CB-CE 4.07Å; L265-M401 HydrophobicContact CD1-CE 3.87Å; L265-M401 HydrophobicContact CG-CE 4.42Å; L265-L413 HydrophobicContact CD1-CD2 3.95Å; L265-Y416 HydrophobicContact CD1-CD2 4.27Å; L265-Y416 HydrophobicContact CD2-CD2 4.08Å; L265-Y416 HydrophobicContact CD2-CE2 3.88Å
266P79.8Confident78.5Confident68 Ų6889.9 Ų89.944%0.44243%0.43SS..EExtended strand (participates in β ladder)trans-76.1120.3-178.829.5-33.6000111.4M401 G402P266-M401 WeakPolarHBondContact O-CG 3.24Å; P266-G402 PolarHBondContact O-N 3.1Å
267I81.4Confident78Confident4 Ų490.1 Ų90.12%0.02143%0.432CS..EExtended strand (participates in β ladder)trans-117.3141.9176.7-44.9-166.1000109.8L265 N277 Y279 L394 M399 V400L265-I267 PolarHBondContact O-N 2.65Å; I267-N277 CarbonylContact C-O 3.57Å; I267-N277 WeakPolarHBondContact CA-O 3.42Å; I267-N277 PolarHBondContact N-O 3.44Å; I267-N277 PolarHBondContact O-N 2.93Å; I267-Y279 HydrophobicContact CD1-CD2 4.38Å; I267-Y279 HydrophobicContact CD1-CG 3.91Å; I267-L394 HydrophobicContact CD1-CD1 3.92Å; I267-L394 HydrophobicContact CD1-CD2 3.87Å; I267-M399 HydrophobicContact CB-CE 4.3Å; I267-M399 HydrophobicContact CG2-CB 3.73Å; I267-M399 HydrophobicContact CG2-CE 3.89Å; I267-V400 WeakPolarHBondContact CG2-O 3.3Å
268K79.1Confident77.7Confident79 Ų7987.2 Ų87.234%0.34343%0.43SS..EExtended strand (participates in β ladder)trans-113.5141176.3-58.7-172.9-167.7-157.40109.2Y276 V400K268-Y276 HydrophobicContact CD-CD1 4.37Å; K268-Y276 HydrophobicContact CD-CE1 3.88Å; K268-Y276 HydrophobicContact CG-CD1 4.09Å; K268-Y276 HydrophobicContact CG-CE1 4.12Å; K268-Y276 VanDerWaalsContact NZ-CE1 3.25Å; K268-Y276 PolarHBondContact NZ-OH 3.27Å; K268-V400 PolarHBondContact N-O 3.32Å; K268-V400 PolarHBondContact O-N 2.67Å; K268-V400 VanDerWaalsContact O-O 3.09Å
269S74.5Confident77.5Confident22 Ų2287.7 Ų87.715%0.15443%0.43CS..EExtended strand (participates in β ladder)trans-72.1130.5166.7-173.80000109.4R271 Y272 Q275S269-R271 PolarHBondContact OG-N 3.23Å; S269-Y272 PolarHBondContact OG-N 2.89Å; S269-Q275 PolarHBondContact N-O 3.03Å
270A70.4Confident77.5Confident63 Ų6389.4 Ų89.452%0.52144%0.443SS..SBendtrans-71.5-24.517100000111.7Q398 V400A270-Q398 WeakPolarHBondContact CB-O 3.42Å; A270-Q398 PolarHBondContact N-O 3.43Å; A270-V400 HydrophobicContact CB-CG2 4.05Å
271R71.8Confident77.5Confident197 Ų19787.5 Ų87.574%0.74342%0.422SS*.SBendtrans-83.5-37.7-175.6-167.5174.2-176175.91.2113.1S269S269-R271 PolarHBondContact OG-N 3.23Å
272Y72.3Confident77.2Confident142 Ų14286.1 Ų86.156%0.55742%0.416SS*.SBendtrans-115.2110.2-179.3-67-77.2000110.7S269 G274 Q275S269-Y272 PolarHBondContact OG-N 2.89Å; Y272-G274 PolarHBondContact O-N 3.48Å; Y272-Q275 PolarHBondContact O-N 2.97Å
273R67.6Low76.8Confident263 Ų26380.2 Ų80.299%0.99240%0.396SS*.THydrogen-bonded Turntrans-68.3122.1-179.7-163.1172.1-176.8167.1-0.2109.5
274G70.6Confident76.2Confident61 Ų6177.5 Ų77.563%0.62938%0.379SS*.THydrogen-bonded Turntrans100.7-4.9176.900000115.6Y272 Y276Y272-G274 PolarHBondContact O-N 3.48Å; G274-Y276 WeakPolarHBondContact O-CD2 3.46Å; G274-Y276 PolarHBondContact O-N 3.36Å
275Q74Confident75.1Confident93 Ų9376.1 Ų76.144%0.43537%0.369SS..  trans-84.4106.1174-168.8155.1300110.9S269 Y272S269-Q275 PolarHBondContact N-O 3.03Å; Y272-Q275 PolarHBondContact O-N 2.97Å
276Y71.3Confident74.2Confident158 Ų15876.1 Ų76.162%0.6237%0.369SS*.EExtended strand (participates in β ladder)trans-96.5116.8172.5-69.8-97.7000108.7K268 G274K268-Y276 HydrophobicContact CD-CD1 4.37Å; K268-Y276 HydrophobicContact CD-CE1 3.88Å; K268-Y276 HydrophobicContact CG-CD1 4.09Å; K268-Y276 HydrophobicContact CG-CE1 4.12Å; K268-Y276 VanDerWaalsContact NZ-CE1 3.25Å; K268-Y276 PolarHBondContact NZ-OH 3.27Å; G274-Y276 WeakPolarHBondContact O-CD2 3.46Å; G274-Y276 PolarHBondContact O-N 3.36Å
277N75.4Confident73.6Confident69 Ų6974.7 Ų74.737%0.36936%0.361SS..EExtended strand (participates in β ladder)trans-117.6139171.7-70.2-14.4000108.4I267 M399I267-N277 CarbonylContact C-O 3.57Å; I267-N277 WeakPolarHBondContact CA-O 3.42Å; I267-N277 PolarHBondContact N-O 3.44Å; I267-N277 PolarHBondContact O-N 2.93Å; N277-M399 HydrophobicContact CB-CE 4.21Å
278T79.9Confident73Confident94 Ų9474.9 Ų74.958%0.57736%0.362SS*.EExtended strand (participates in β ladder)trans-92.7133.9172.548.20000109.4D264 L265 P280D264-T278 HydrophobicContact CB-CG2 4.43Å; L265-T278 WeakPolarHBondContact O-CA 3.26Å; T278-P280 VanDerWaalsContact O-CD 3.31Å; T278-P280 WeakPolarHBondContact O-CD 3.32Å
279Y80.1Confident72.5Confident75 Ų7574 Ų7429%0.29436%0.36SS..EExtended strand (participates in β ladder)trans-99.1105.2170.5-172.9-95.5000109.2L265 I267 I281 V390L265-Y279 PolarHBondContact N-O 3.31Å; L265-Y279 PolarHBondContact O-N 2.59Å; I267-Y279 HydrophobicContact CD1-CD2 4.38Å; I267-Y279 HydrophobicContact CD1-CG 3.91Å; Y279-I281 HydrophobicContact CD1-CG1 3.99Å; Y279-I281 HydrophobicContact CE1-CG1 4.06Å; Y279-I281 PolarHBondContact O-N 2.91Å; Y279-V390 HydrophobicContact CE1-CG1 4.44Å
280P80.2Confident72.2Confident51 Ų5173 Ų7333%0.33135%0.353SS..EExtended strand (participates in β ladder)trans-75.8116.4-179.328.7-33.3000110.7R262 D264 T278R262-P280 HydrophobicContact CB-CB 4.46Å; D264-P280 VanDerWaalsContact OD1-CA 3.31Å; D264-P280 WeakPolarHBondContact OD1-CA 3.37Å; D264-P280 WeakPolarHBondContact OD1-CB 3.19Å; T278-P280 VanDerWaalsContact O-CD 3.31Å; T278-P280 WeakPolarHBondContact O-CD 3.32Å
281I79.3Confident72.3Confident3 Ų370 Ų702%0.01533%0.329CS..EExtended strand (participates in β ladder)trans-91.3105.5164.3-59.1-175.8000107.6R262 V263 L265 Y279 Y285 L413 I417 A420R262-I281 WeakPolarHBondContact CA-O 3.47Å; V263-I281 PolarHBondContact N-O 3.17Å; V263-I281 PolarHBondContact O-N 3.01Å; L265-I281 HydrophobicContact CD1-CD1 3.43Å; L265-I281 VanDerWaalsContact CD1-CD1 3.43Å; L265-I281 HydrophobicContact CD1-CG1 4.17Å; L265-I281 HydrophobicContact CG-CD1 4.35Å; Y279-I281 HydrophobicContact CD1-CG1 3.99Å; Y279-I281 HydrophobicContact CE1-CG1 4.06Å; Y279-I281 PolarHBondContact O-N 2.91Å; I281-Y285 HydrophobicContact CG2-CD2 3.75Å; I281-Y285 HydrophobicContact CG2-CE2 4.18Å; I281-L413 HydrophobicContact CD1-CD2 4.22Å; I281-I417 HydrophobicContact CD1-CG1 4.06Å; I281-A420 HydrophobicContact CG2-CB 4.16Å
282K79.4Confident72.5Confident64 Ų6462.5 Ų62.528%0.27830%0.303SS..EExtended strand (participates in β ladder)trans-71.7149.9177-62.1177.4-169.7168.50111R262 F284 Y285 E459R262-K282 HydrophobicContact CB-CG 4.4Å; K282-F284 VanDerWaalsContact C-N 3.26Å; K282-F284 PolarHBondContact O-N 2.89Å; K282-Y285 PolarHBondContact O-N 3.02Å; K282-E459 WeakPolarHBondContact CE-OE1 3.35Å; K282-E459 WeakPolarHBondContact CE-OE2 3.04Å; K282-E459 IonicContact NZ-OE1 3.87Å; K282-E459 PolarHBondContact NZ-OE1 2.96Å; K282-E459 IonicContact NZ-OE2 2.9Å; K282-E459 PolarHBondContact NZ-OE2 3.16Å
283L75.8Confident72.6Confident32 Ų3257.4 Ų57.417%0.16829%0.285CS..SBendtrans-55.8-43.4172.6-167.971.1000111.2F258 F261 Y285 A420 F423 G424F258-L283 HydrophobicContact CD1-CD2 4.42Å; F261-L283 HydrophobicContact CB-CB 3.95Å; F261-L283 HydrophobicContact CB-CD2 4.09Å; F261-L283 PolarHBondContact O-N 3.33Å; L283-Y285 PolarHBondContact O-N 3.45Å; L283-A420 VanDerWaalsContact O-O 3.13Å; L283-F423 HydrophobicContact CD1-CD1 3.74Å; L283-F423 HydrophobicContact CD1-CE1 4.14Å; L283-G424 WeakPolarHBondContact O-CA 3.33Å
284F72.6Confident73.2Confident14 Ų1445.3 Ų45.36%0.06124%0.24CC..SBendtrans-84.761.7172.7-57.1-36.9000111.5F258 Q259 K282 T286 S287 C427 I428 L431F258-F284 HydrophobicContact CB-CE2 4.26Å; F258-F284 HydrophobicContact CB-CZ 3.87Å; Q259-F284 HydrophobicContact CB-CD2 4.13Å; Q259-F284 HydrophobicContact CB-CE2 3.94Å; Q259-F284 HydrophobicContact CG-CD2 3.99Å; Q259-F284 HydrophobicContact CG-CE2 4.29Å; K282-F284 VanDerWaalsContact C-N 3.26Å; K282-F284 PolarHBondContact O-N 2.89Å; F284-T286 PolarHBondContact O-N 3.06Å; F284-S287 PolarHBondContact O-N 3.42Å; F284-S287 VanDerWaalsContact O-N 3.14Å; F284-C427 HydrophobicContact CE1-CB 4.36Å; F284-I428 HydrophobicContact CB-CD1 4.41Å; F284-I428 HydrophobicContact CD1-CD1 3.52Å; F284-I428 HydrophobicContact CD1-CG1 3.52Å; F284-I428 HydrophobicContact CE1-CD1 3.98Å; F284-I428 HydrophobicContact CE1-CG1 3.39Å; F284-I428 HydrophobicContact CG-CD1 4.07Å; F284-I428 HydrophobicContact CG-CG1 4.35Å; F284-I428 HydrophobicContact CZ-CG1 4.11Å; F284-L431 HydrophobicContact CZ-CD1 4.34Å
285Y59.3Low73.4Confident38 Ų3843.2 Ų43.215%0.14922%0.215CC..THydrogen-bonded Turntrans-60.9-45.2-173.8-173.6-102.7000113.2I281 K282 L283 S287 I380 S385 V390 I417 A421I281-Y285 HydrophobicContact CG2-CD2 3.75Å; I281-Y285 HydrophobicContact CG2-CE2 4.18Å; K282-Y285 PolarHBondContact O-N 3.02Å; L283-Y285 PolarHBondContact O-N 3.45Å; Y285-S287 PolarHBondContact O-N 2.7Å; Y285-I380 HydrophobicContact CD1-CG1 4.4Å; Y285-S385 WeakPolarHBondContact CE1-O 3.33Å; Y285-S385 PolarHBondContact OH-O 3.37Å; Y285-V390 WeakPolarHBondContact OH-CG2 3.18Å; Y285-I417 HydrophobicContact CD1-CG2 4.01Å; Y285-I417 HydrophobicContact CE1-CG2 3.47Å; Y285-I417 VanDerWaalsContact CE1-CG2 3.47Å; Y285-I417 HydrophobicContact CE2-CG1 4.22Å; Y285-A421 HydrophobicContact CD1-CB 4.39Å
286T62.8Low73.4Confident9 Ų940.4 Ų40.46%0.05521%0.208CC..THydrogen-bonded Turntrans-83.25.5178.445.80000113.5F284 S376 I380 A421F284-T286 PolarHBondContact O-N 3.06Å; T286-S376 PolarHBondContact OG1-OG 2.81Å; T286-I380 HydrophobicContact CG2-CD1 4.31Å; T286-I380 HydrophobicContact CG2-CG1 3.43Å; T286-I380 VanDerWaalsContact CG2-CG1 3.43Å; T286-A421 HydrophobicContact CG2-CB 4.07Å
287S67.3Low73.6Confident37 Ų3736.1 Ų36.126%0.25920%0.195SC..THydrogen-bonded Turntrans55.8-150.1-176.8-590000112.4F284 Y285 Q456F284-S287 PolarHBondContact O-N 3.42Å; F284-S287 VanDerWaalsContact O-N 3.14Å; Y285-S287 PolarHBondContact O-N 2.7Å; S287-Q456 PolarHBondContact OG-NE2 3.41Å
288N68.8Low73.6Confident8 Ų833.5 Ų33.54%0.04318%0.182CC..THydrogen-bonded Turntrans-80.3-10.8-176.4-80.1-12.1000115.7P290 I291 I292 L449 T452N288-P290 VanDerWaalsContact C-CD 3.49Å; N288-I291 PolarHBondContact O-N 2.88Å; N288-I291 VanDerWaalsContact O-N 3.17Å; N288-I292 HydrophobicContact CB-CD1 4.24Å; N288-I292 WeakPolarHBondContact O-CG1 3.46Å; N288-I292 PolarHBondContact O-N 3.42Å; N288-L449 HydrophobicContact CB-CD2 3.57Å; N288-L449 PolarHBondContact ND2-O 3.08Å; N288-T452 VanDerWaalsContact CG-CG2 3.41Å; N288-T452 VanDerWaalsContact ND2-CB 3.28Å; N288-T452 WeakPolarHBondContact ND2-CB 3.41Å; N288-T452 WeakPolarHBondContact ND2-CG2 3.42Å; N288-T452 WeakPolarHBondContact OD1-CB 3.45Å; N288-T452 WeakPolarHBondContact OD1-CG2 3.18Å; N288-T452 PolarHBondContact OD1-OG1 3.37Å
289I70Confident73.2Confident60 Ų6029.3 Ų29.331%0.30816%0.156SC..Hα-helixtrans-61.3-39.3-168.4-59.1170.9000112.5I291 I292 L293 W379I289-I291 VanDerWaalsContact C-N 3.32Å; I289-I291 PolarHBondContact O-N 3.24Å; I289-I292 PolarHBondContact O-N 2.93Å; I289-I292 VanDerWaalsContact O-N 3.16Å; I289-L293 HydrophobicContact CG2-CD1 3.93Å; I289-L293 HydrophobicContact CG2-CG 4.07Å; I289-L293 WeakPolarHBondContact O-CG 3.3Å; I289-L293 PolarHBondContact O-N 3.36Å; I289-W379 HydrophobicContact CB-CD2 4.5Å; I289-W379 HydrophobicContact CB-CZ2 4.37Å; I289-W379 HydrophobicContact CD1-CZ2 3.64Å; I289-W379 HydrophobicContact CG2-CD2 3.82Å; I289-W379 HydrophobicContact CG2-CE3 4.09Å; I289-W379 HydrophobicContact CG2-CG 4.49Å; I289-W379 HydrophobicContact CG2-CH2 3.88Å; I289-W379 HydrophobicContact CG2-CZ2 3.62Å; I289-W379 HydrophobicContact CG2-CZ3 4.11Å
290P67Low72.8Confident2 Ų229.9 Ų29.91%0.01316%0.164CC..Hα-helixtrans-59.7-37.9176.8-26.136.4000114N288 Q294 F375N288-P290 VanDerWaalsContact C-CD 3.49Å; P290-Q294 VanDerWaalsContact O-CB 3.28Å; P290-Q294 WeakPolarHBondContact O-CB 3.49Å; P290-Q294 PolarHBondContact O-N 2.88Å; P290-F375 HydrophobicContact CB-CB 4.17Å
291I72.7Confident72.5Confident1 Ų130.7 Ų30.71%0.00517%0.166CC..Hα-helixtrans-66-45.8175.5-51.5172.1000110N288 I289 L293 Q294 S295 I428 T445 L448 L449N288-I291 PolarHBondContact O-N 2.88Å; N288-I291 VanDerWaalsContact O-N 3.17Å; I289-I291 VanDerWaalsContact C-N 3.32Å; I289-I291 PolarHBondContact O-N 3.24Å; I291-L293 VanDerWaalsContact C-N 3.29Å; I291-L293 PolarHBondContact O-N 2.99Å; I291-Q294 PolarHBondContact O-N 3.15Å; I291-S295 WeakPolarHBondContact O-CB 3.31Å; I291-S295 PolarHBondContact O-N 2.93Å; I291-I428 HydrophobicContact CD1-CB 4.41Å; I291-I428 HydrophobicContact CD1-CG2 3.03Å; I291-I428 HydrophobicContact CG1-CG2 3.1Å; I291-T445 HydrophobicContact CG2-CG2 4.17Å; I291-L448 HydrophobicContact CD1-CB 4.45Å; I291-L449 HydrophobicContact CB-CD2 4.33Å; I291-L449 HydrophobicContact CD1-CD2 4.31Å
292I76.6Confident72.1Confident39 Ų3931.1 Ų31.120%0.217%0.167CC..Hα-helixtrans-59.3-45.5-179.3-62.1171.8000109.4I68 N288 I289 A296 L449I68-I292 HydrophobicContact CG2-CG2 4.37Å; N288-I292 HydrophobicContact CB-CD1 4.24Å; N288-I292 WeakPolarHBondContact O-CG1 3.46Å; N288-I292 PolarHBondContact O-N 3.42Å; I289-I292 PolarHBondContact O-N 2.93Å; I289-I292 VanDerWaalsContact O-N 3.16Å; I292-A296 WeakPolarHBondContact O-CB 3.39Å; I292-A296 PolarHBondContact O-N 2.69Å; I292-L449 HydrophobicContact CD1-CD2 4.04Å; I292-L449 HydrophobicContact CG1-CD1 4.09Å; I292-L449 HydrophobicContact CG1-CD2 3.57Å
293L75.1Confident71.5Confident34 Ų3429 Ų2918%0.17816%0.16CC..Hα-helixtrans-64.2-45.6177.6-71.6175.5000112.5L89 I289 I291 L297 W379L89-L293 HydrophobicContact CD2-CD2 3.48Å; L89-L293 VanDerWaalsContact CD2-CD2 3.48Å; I289-L293 HydrophobicContact CG2-CD1 3.93Å; I289-L293 HydrophobicContact CG2-CG 4.07Å; I289-L293 WeakPolarHBondContact O-CG 3.3Å; I289-L293 PolarHBondContact O-N 3.36Å; I291-L293 VanDerWaalsContact C-N 3.29Å; I291-L293 PolarHBondContact O-N 2.99Å; L293-L297 WeakPolarHBondContact O-CB 3.34Å; L293-L297 PolarHBondContact O-N 3.35Å; L293-W379 HydrophobicContact CD1-CD2 4.4Å; L293-W379 HydrophobicContact CD1-CE3 3.63Å; L293-W379 HydrophobicContact CD1-CZ3 3.91Å
294Q79.4Confident71.3Confident10 Ų1031.7 Ų31.75%0.04717%0.173CC..Hα-helixtrans-61.9-48.3178.2-173.8-75.4-27.300110.7P290 I291 A296 L297 V298 M368 S371 F375P290-Q294 VanDerWaalsContact O-CB 3.28Å; P290-Q294 WeakPolarHBondContact O-CB 3.49Å; P290-Q294 PolarHBondContact O-N 2.88Å; I291-Q294 PolarHBondContact O-N 3.15Å; Q294-A296 PolarHBondContact O-N 3.26Å; Q294-L297 WeakPolarHBondContact O-CB 3.42Å; Q294-L297 PolarHBondContact O-N 3.29Å; Q294-V298 WeakPolarHBondContact O-CG2 3.42Å; Q294-V298 PolarHBondContact O-N 3.42Å; Q294-M368 HydrophobicContact CG-SD 3.95Å; Q294-M368 PolarHBondContact NE2-SD 3.32Å; Q294-M368 PolarHBondContact OE1-SD 2.84Å; Q294-S371 VanDerWaalsContact CG-OG 3.28Å; Q294-S371 WeakPolarHBondContact CG-OG 3.24Å; Q294-F375 HydrophobicContact CB-CD2 4.1Å; Q294-F375 HydrophobicContact CB-CE2 4.43Å
295S74.9Confident71.1Confident16 Ų1631.1 Ų31.111%0.11217%0.171CC..Hα-helixtrans-68.9-35.4-177.4-168.40000111.7I68 I291 S299I68-S295 WeakPolarHBondContact CD1-OG 3.23Å; I291-S295 WeakPolarHBondContact O-CB 3.31Å; I291-S295 PolarHBondContact O-N 2.93Å; S295-S299 VanDerWaalsContact O-CB 3.3Å; S295-S299 WeakPolarHBondContact O-CB 3.28Å; S295-S299 PolarHBondContact O-N 3.33Å; S295-S299 PolarHBondContact O-OG 3.29Å
296A73.3Confident71.5Confident34 Ų3430.6 Ų30.628%0.28117%0.17SC..Hα-helixtrans-65-41.8170.800000112I292 Q294 S299 N300I292-A296 WeakPolarHBondContact O-CB 3.39Å; I292-A296 PolarHBondContact O-N 2.69Å; Q294-A296 PolarHBondContact O-N 3.26Å; A296-S299 PolarHBondContact O-N 3.04Å; A296-N300 WeakPolarHBondContact O-CB 3.47Å; A296-N300 PolarHBondContact O-N 3.14Å; A296-N300 PolarHBondContact O-ND2 3.26Å; A296-N300 VanDerWaalsContact O-ND2 3.15Å
297L75.4Confident71.7Confident69 Ų6934 Ų3436%0.36119%0.186SC..Hα-helixtrans-61.4-47.3175.9-179.6150000111.1L293 Q294 N300 L301 F375L293-L297 WeakPolarHBondContact O-CB 3.34Å; L293-L297 PolarHBondContact O-N 3.35Å; Q294-L297 WeakPolarHBondContact O-CB 3.42Å; Q294-L297 PolarHBondContact O-N 3.29Å; L297-N300 PolarHBondContact O-N 3.22Å; L297-L301 HydrophobicContact CD2-CD1 3.56Å; L297-L301 HydrophobicContact CD2-CG 4.29Å; L297-L301 HydrophobicContact CG-CD1 4.49Å; L297-L301 WeakPolarHBondContact O-CG 3.45Å; L297-L301 PolarHBondContact O-N 3.42Å; L297-F375 HydrophobicContact CD1-CE2 4.27Å; L297-F375 HydrophobicContact CD1-CZ 3.75Å
298V75.1Confident71.8Confident14 Ų1435.3 Ų35.39%0.08519%0.19CC..Hα-helixtrans-63.1-43.9177.6170.90000111.3Q294 N300 L301 Y302 L345 F367Q294-V298 WeakPolarHBondContact O-CG2 3.42Å; Q294-V298 PolarHBondContact O-N 3.42Å; V298-N300 PolarHBondContact O-N 2.86Å; V298-L301 PolarHBondContact O-N 2.85Å; V298-Y302 HydrophobicContact CG1-CD2 3.81Å; V298-Y302 HydrophobicContact CG1-CE2 3.2Å; V298-Y302 VanDerWaalsContact O-CD2 3.32Å; V298-Y302 WeakPolarHBondContact O-CD2 3.33Å; V298-Y302 PolarHBondContact O-N 2.89Å; V298-L345 HydrophobicContact CG2-CD2 4.33Å; V298-F367 HydrophobicContact CG2-CE1 3.98Å
299S72.3Confident71.5Confident6 Ų635.9 Ų35.94%0.04219%0.194CC..Hα-helixtrans-60.7-44.1176.9-61.40000112.1S295 A296 L301 Y302 V303S295-S299 VanDerWaalsContact O-CB 3.3Å; S295-S299 WeakPolarHBondContact O-CB 3.28Å; S295-S299 PolarHBondContact O-N 3.33Å; S295-S299 PolarHBondContact O-OG 3.29Å; A296-S299 PolarHBondContact O-N 3.04Å; S299-L301 PolarHBondContact O-N 2.81Å; S299-Y302 PolarHBondContact O-N 3.29Å; S299-V303 WeakPolarHBondContact O-CG2 3.22Å; S299-V303 PolarHBondContact O-N 2.78Å
300N72.6Confident71.4Confident86 Ų8638 Ų3846%0.4621%0.21SC..Hα-helixtrans-64.2-40.7176.8-72.7-30000111.8A296 L297 V298 Y302 V303 I304A296-N300 WeakPolarHBondContact O-CB 3.47Å; A296-N300 PolarHBondContact O-N 3.14Å; A296-N300 PolarHBondContact O-ND2 3.26Å; A296-N300 VanDerWaalsContact O-ND2 3.15Å; L297-N300 PolarHBondContact O-N 3.22Å; V298-N300 PolarHBondContact O-N 2.86Å; N300-Y302 VanDerWaalsContact C-N 3.31Å; N300-Y302 PolarHBondContact O-N 3.41Å; N300-V303 PolarHBondContact O-N 3.26Å; N300-I304 VanDerWaalsContact O-CG1 3.26Å; N300-I304 WeakPolarHBondContact O-CG1 3.27Å; N300-I304 PolarHBondContact O-N 2.83Å
301L72.6Confident71.4Confident68 Ų6846.9 Ų46.936%0.35624%0.244SC..Hα-helixtrans-61.5-39.8174.5-74.1175.9000111.7L297 V298 S299 S305 L345L297-L301 HydrophobicContact CD2-CD1 3.56Å; L297-L301 HydrophobicContact CD2-CG 4.29Å; L297-L301 HydrophobicContact CG-CD1 4.49Å; L297-L301 WeakPolarHBondContact O-CG 3.45Å; L297-L301 PolarHBondContact O-N 3.42Å; V298-L301 PolarHBondContact O-N 2.85Å; S299-L301 PolarHBondContact O-N 2.81Å; L301-S305 VanDerWaalsContact O-CB 3.3Å; L301-S305 WeakPolarHBondContact O-CB 3.21Å; L301-S305 PolarHBondContact O-N 3.21Å; L301-L345 HydrophobicContact CD1-CD2 3.84Å
302Y70.5Confident70.9Confident13 Ų1352.6 Ų52.65%0.05127%0.269CS..Hα-helixtrans-63.3-48.3175.6-74.2-42.1000113.2V298 S299 N300 I304 S305 Q306 W324 C342 L345 S346V298-Y302 HydrophobicContact CG1-CD2 3.81Å; V298-Y302 HydrophobicContact CG1-CE2 3.2Å; V298-Y302 VanDerWaalsContact O-CD2 3.32Å; V298-Y302 WeakPolarHBondContact O-CD2 3.33Å; V298-Y302 PolarHBondContact O-N 2.89Å; S299-Y302 PolarHBondContact O-N 3.29Å; N300-Y302 VanDerWaalsContact C-N 3.31Å; N300-Y302 PolarHBondContact O-N 3.41Å; Y302-I304 VanDerWaalsContact C-N 3.32Å; Y302-I304 PolarHBondContact O-N 2.94Å; Y302-S305 PolarHBondContact O-N 3.14Å; Y302-S305 VanDerWaalsContact O-N 3.16Å; Y302-Q306 WeakPolarHBondContact O-CB 2.92Å; Y302-Q306 PolarHBondContact O-N 2.99Å; Y302-W324 AromaticContact CD1-CH2 3.7Å; Y302-W324 HydrophobicContact CD1-CH2 3.7Å; Y302-W324 AromaticContact CD1-CZ2 3.74Å; Y302-W324 HydrophobicContact CD1-CZ2 3.74Å; Y302-W324 HydrophobicContact CG-CH2 4Å; Y302-W324 HydrophobicContact CG-CZ2 4.29Å; Y302-W324 WeakPolarHBondContact O-CZ2 3.16Å; Y302-C342 HydrophobicContact CD1-CB 3.94Å; Y302-C342 HydrophobicContact CE1-CB 3.77Å; Y302-C342 WeakPolarHBondContact CE1-O 3.13Å; Y302-C342 PolarHBondContact OH-O 3.03Å; Y302-L345 PolarHBondContact OH-O 2.97Å; Y302-S346 WeakPolarHBondContact OH-CA 3.32Å; Y302-S346 VanDerWaalsContact OH-CB 3.25Å; Y302-S346 WeakPolarHBondContact OH-CB 3.42Å; Y302-S346 PolarHBondContact OH-N 3.36Å
303V67.9Low70Confident20 Ų2055.8 Ų55.812%0.12129%0.294CS..Hα-helixtrans-59.3-46.5178.71720000110.4F62 S299 N300 S305 Q306 M307F62-V303 HydrophobicContact CD1-CG1 4.43Å; F62-V303 HydrophobicContact CD1-CG2 3.55Å; F62-V303 HydrophobicContact CE1-CB 4.2Å; F62-V303 HydrophobicContact CE1-CG1 3.56Å; F62-V303 HydrophobicContact CE1-CG2 3.51Å; F62-V303 HydrophobicContact CZ-CG1 4.12Å; S299-V303 WeakPolarHBondContact O-CG2 3.22Å; S299-V303 PolarHBondContact O-N 2.78Å; N300-V303 PolarHBondContact O-N 3.26Å; V303-S305 VanDerWaalsContact C-N 3.34Å; V303-S305 PolarHBondContact O-N 2.96Å; V303-Q306 PolarHBondContact O-N 3.22Å; V303-M307 HydrophobicContact CG1-CE 3.84Å; V303-M307 HydrophobicContact CG1-CG 4.47Å; V303-M307 HydrophobicContact CG1-SD 4.27Å; V303-M307 WeakPolarHBondContact O-CB 3.43Å; V303-M307 WeakPolarHBondContact O-CG 3.22Å; V303-M307 PolarHBondContact O-N 2.85Å
304I70.9Confident69.3Low88 Ų8857 Ų5745%0.45132%0.315SS..Hα-helixtrans-60.1-48.3176.7-68167.5000109.5N300 Y302 Q306 M307 L308N300-I304 VanDerWaalsContact O-CG1 3.26Å; N300-I304 WeakPolarHBondContact O-CG1 3.27Å; N300-I304 PolarHBondContact O-N 2.83Å; Y302-I304 VanDerWaalsContact C-N 3.32Å; Y302-I304 PolarHBondContact O-N 2.94Å; I304-Q306 VanDerWaalsContact C-N 3.35Å; I304-Q306 PolarHBondContact O-N 3.44Å; I304-M307 PolarHBondContact O-N 3.46Å; I304-L308 HydrophobicContact CG2-CD1 3.94Å; I304-L308 HydrophobicContact CG2-CD2 4.45Å; I304-L308 WeakPolarHBondContact O-CB 3.28Å; I304-L308 WeakPolarHBondContact O-CD1 3.42Å; I304-L308 PolarHBondContact O-N 3.21Å
305S68.7Low68.8Low2 Ų260.9 Ų60.91%0.01434%0.336CS..Hα-helixtrans-59.7-43.5179.4177.30000112.5L301 Y302 V303 L308 S309 W324 C342L301-S305 VanDerWaalsContact O-CB 3.3Å; L301-S305 WeakPolarHBondContact O-CB 3.21Å; L301-S305 PolarHBondContact O-N 3.21Å; Y302-S305 PolarHBondContact O-N 3.14Å; Y302-S305 VanDerWaalsContact O-N 3.16Å; V303-S305 VanDerWaalsContact C-N 3.34Å; V303-S305 PolarHBondContact O-N 2.96Å; S305-L308 PolarHBondContact O-N 3.12Å; S305-S309 WeakPolarHBondContact O-CB 3.44Å; S305-S309 PolarHBondContact O-N 3.01Å; S305-S309 PolarHBondContact O-OG 3.45Å; S305-W324 PolarHBondContact OG-NE1 2.92Å; S305-C342 WeakPolarHBondContact CB-SG 3.46Å; S305-C342 PolarHBondContact OG-SG 3.45Å; S305-C342 VanDerWaalsContact OG-SG 3.32Å
306Q66.8Low68.4Low27 Ų2768 Ų6813%0.12637%0.365CS..Hα-helixtrans-67.3-40.6179.2-169.8-177.75.500111.9P61 Y302 V303 I304 S309 T310 W324P61-Q306 PolarHBondContact O-OE1 2.83Å; Y302-Q306 WeakPolarHBondContact O-CB 2.92Å; Y302-Q306 PolarHBondContact O-N 2.99Å; V303-Q306 PolarHBondContact O-N 3.22Å; I304-Q306 VanDerWaalsContact C-N 3.35Å; I304-Q306 PolarHBondContact O-N 3.44Å; Q306-S309 PolarHBondContact O-N 3.36Å; Q306-S309 PolarHBondContact O-OG 2.93Å; Q306-S309 VanDerWaalsContact O-OG 3.05Å; Q306-T310 WeakPolarHBondContact O-CB 3.18Å; Q306-T310 VanDerWaalsContact O-CG2 3.31Å; Q306-T310 WeakPolarHBondContact O-CG2 3.16Å; Q306-T310 PolarHBondContact O-N 3.38Å; Q306-T310 VanDerWaalsContact O-N 3.08Å; Q306-T310 PolarHBondContact O-OG1 3.49Å; Q306-W324 HydrophobicContact CB-CD2 4.2Å; Q306-W324 HydrophobicContact CB-CZ2 4.1Å; Q306-W324 HydrophobicContact CG-CD2 4.27Å; Q306-W324 HydrophobicContact CG-CG 4.48Å
307M67.9Low67.9Low79 Ų7972.3 Ų72.339%0.38938%0.383SS..Hα-helixtrans-67.8-35.2175-72.8-169.4-178.500112.6F62 V303 I304 T310 R311F62-M307 HydrophobicContact CZ-CE 4.21Å; V303-M307 HydrophobicContact CG1-CE 3.84Å; V303-M307 HydrophobicContact CG1-CG 4.47Å; V303-M307 HydrophobicContact CG1-SD 4.27Å; V303-M307 WeakPolarHBondContact O-CB 3.43Å; V303-M307 WeakPolarHBondContact O-CG 3.22Å; V303-M307 PolarHBondContact O-N 2.85Å; I304-M307 PolarHBondContact O-N 3.46Å; M307-T310 WeakPolarHBondContact CA-OG1 3.18Å; M307-T310 PolarHBondContact O-OG1 3.04Å; M307-R311 WeakPolarHBondContact O-CG 3.27Å; M307-R311 PolarHBondContact O-N 3.07Å
308L68.7Low67.4Low65 Ų6569.6 Ų69.634%0.3437%0.369SS..Hα-helixtrans-72.4-39.7175.5-96.162.3000111.4I304 S305 T310 R311 F312 V318I304-L308 HydrophobicContact CG2-CD1 3.94Å; I304-L308 HydrophobicContact CG2-CD2 4.45Å; I304-L308 WeakPolarHBondContact O-CB 3.28Å; I304-L308 WeakPolarHBondContact O-CD1 3.42Å; I304-L308 PolarHBondContact O-N 3.21Å; S305-L308 PolarHBondContact O-N 3.12Å; L308-T310 VanDerWaalsContact C-N 3.33Å; L308-T310 PolarHBondContact O-N 2.91Å; L308-R311 PolarHBondContact O-N 3.36Å; L308-F312 WeakPolarHBondContact O-CA 3.17Å; L308-F312 PolarHBondContact O-N 3.27Å; L308-V318 HydrophobicContact CB-CG1 4.43Å
309S64.3Low66.9Low20 Ų2072.8 Ų72.814%0.1439%0.386CS..Hα-helixtrans-67.2-35.4178.873.90000112.2S305 Q306 S313 W324S305-S309 WeakPolarHBondContact O-CB 3.44Å; S305-S309 PolarHBondContact O-N 3.01Å; S305-S309 PolarHBondContact O-OG 3.45Å; Q306-S309 PolarHBondContact O-N 3.36Å; Q306-S309 PolarHBondContact O-OG 2.93Å; Q306-S309 VanDerWaalsContact O-OG 3.05Å; S309-S313 PolarHBondContact O-N 2.9Å; S309-W324 VanDerWaalsContact OG-CD1 3.23Å
310T66.9Low66.5Low104 Ų10476.8 Ų76.864%0.63841%0.406SS*.Hα-helixtrans-73.4-33.7177.2470000113.3Q306 M307 L308Q306-T310 WeakPolarHBondContact O-CB 3.18Å; Q306-T310 VanDerWaalsContact O-CG2 3.31Å; Q306-T310 WeakPolarHBondContact O-CG2 3.16Å; Q306-T310 PolarHBondContact O-N 3.38Å; Q306-T310 VanDerWaalsContact O-N 3.08Å; Q306-T310 PolarHBondContact O-OG1 3.49Å; M307-T310 WeakPolarHBondContact CA-OG1 3.18Å; M307-T310 PolarHBondContact O-OG1 3.04Å; L308-T310 VanDerWaalsContact C-N 3.33Å; L308-T310 PolarHBondContact O-N 2.91Å
311R66.7Low66.1Low190 Ų19075.2 Ų75.272%0.71740%0.397SS*.Hα-helixtrans-90.3-29.7179.4-66.6-171.5-151.7-1365114.6M307 L308M307-R311 WeakPolarHBondContact O-CG 3.27Å; M307-R311 PolarHBondContact O-N 3.07Å; L308-R311 PolarHBondContact O-N 3.36Å
312F63.5Low65.6Low121 Ų12172 Ų7253%0.53138%0.38SS..  trans-132.552-171.7-65.9-76.8000112.3L308 G314 V318L308-F312 WeakPolarHBondContact O-CA 3.17Å; L308-F312 PolarHBondContact O-N 3.27Å; F312-G314 PolarHBondContact O-N 2.86Å; F312-G314 VanDerWaalsContact O-N 3.08Å; F312-V318 HydrophobicContact CB-CG2 4.11Å
313S56.8Low65.2Low105 Ų10573.9 Ų73.973%0.73439%0.393SS*.THydrogen-bonded Turntrans-63.3108.1172.258.90000110.4S309S309-S313 PolarHBondContact O-N 2.9Å
314G60.5Low65.2Low59 Ų5974.8 Ų74.861%0.60840%0.395SS*.THydrogen-bonded Turntrans135.7-13.9175.300000116.4F312F312-G314 PolarHBondContact O-N 2.86Å; F312-G314 VanDerWaalsContact O-N 3.08Å
315N69Low64.5Low92 Ų9272.6 Ų72.649%0.49239%0.387SS..  trans-78.9135175.8-82.1-14000111.5L317 V318 N319N315-L317 PolarHBondContact O-N 3.42Å; N315-V318 HydrophobicContact CB-CB 4.15Å; N315-V318 HydrophobicContact CB-CG2 3.8Å; N315-V318 PolarHBondContact O-N 3.49Å; N315-N319 PolarHBondContact O-N 3.4Å
316F65.8Low63.7Low166 Ų16677.9 Ų77.973%0.72842%0.415SS*.Hα-helixtrans-52.5-40.8176.3178.7-98.8000112.6V318 L320F316-V318 VanDerWaalsContact C-N 3.35Å; F316-V318 PolarHBondContact O-N 2.87Å; F316-L320 WeakPolarHBondContact O-CB 3.21Å; F316-L320 PolarHBondContact O-N 2.99Å
317L63.6Low62.6Low125 Ų12580.6 Ų80.665%0.65443%0.434SS*.Hα-helixtrans-66-33.7176.6-73.9160.9000113.2N315 L321N315-L317 PolarHBondContact O-N 3.42Å; L317-L321 WeakPolarHBondContact O-CD1 3.19Å; L317-L321 PolarHBondContact O-N 2.83Å
318V64.8Low61.2Low11 Ų1182.4 Ų82.47%0.06745%0.454CS..Hα-helixtrans-76.4-40.7179.6177.90000110.2L308 F312 N315 F316 L320 L321 G322L308-V318 HydrophobicContact CB-CG1 4.43Å; F312-V318 HydrophobicContact CB-CG2 4.11Å; N315-V318 HydrophobicContact CB-CB 4.15Å; N315-V318 HydrophobicContact CB-CG2 3.8Å; N315-V318 PolarHBondContact O-N 3.49Å; F316-V318 VanDerWaalsContact C-N 3.35Å; F316-V318 PolarHBondContact O-N 2.87Å; V318-L320 VanDerWaalsContact C-N 3.3Å; V318-L320 PolarHBondContact O-N 3.45Å; V318-L321 PolarHBondContact O-N 3.02Å; V318-G322 PolarHBondContact O-N 3.43Å
319N63.8Low59.5Low82 Ų8285.1 Ų85.144%0.43947%0.474SS..Hα-helixtrans-65.7-32.9172.5-76.5-0.2000112.3N315 T323N315-N319 PolarHBondContact O-N 3.4Å; N319-T323 HydrophobicContact CB-CG2 4.2Å
320L65.5Low58.2Low89 Ų8988.1 Ų88.147%0.46651%0.507SS..Hα-helixtrans-69.5-37.2172.5-17269000111.8F316 V318 G340 L341F316-L320 WeakPolarHBondContact O-CB 3.21Å; F316-L320 PolarHBondContact O-N 2.99Å; V318-L320 VanDerWaalsContact C-N 3.3Å; V318-L320 PolarHBondContact O-N 3.45Å; L320-G340 CarbonylContact O-C 3.53Å; L320-G340 WeakPolarHBondContact O-CA 3.22Å; L320-L341 PolarHBondContact O-N 3.22Å
321L63.3Low56.8Low54 Ų5485.7 Ų85.728%0.28350%0.503SS..Hα-helixtrans-67.8-48.9177.5-115105.7000111.9L317 V318 L341 C342L317-L321 WeakPolarHBondContact O-CD1 3.19Å; L317-L321 PolarHBondContact O-N 2.83Å; V318-L321 PolarHBondContact O-N 3.02Å; L321-L341 PolarHBondContact O-N 3.12Å; L321-C342 WeakPolarHBondContact O-CB 3.23Å; L321-C342 PolarHBondContact O-N 3.39Å; L321-C342 PolarHBondContact O-SG 3.11Å
322G61.8Low55.3Low0 Ų081.9 Ų81.90%050%0.503CS..  trans172.9124.2-179.400000113.2V318 G339V318-G322 PolarHBondContact O-N 3.43Å; G322-G339 CarbonylContact C-O 3.52Å; G322-G339 VanDerWaalsContact CA-O 3.22Å; G322-G339 WeakPolarHBondContact CA-O 3.5Å
323T62.8Low54.1Low52 Ų5279 Ų7932%0.31950%0.502SS..EExtended strand (participates in β ladder)trans-95.9115.616652.70000108.7N319 V338 G339N319-T323 HydrophobicContact CB-CG2 4.2Å; T323-V338 PolarHBondContact O-N 3Å; T323-G339 PolarHBondContact N-O 3.21Å; T323-G339 PolarHBondContact O-N 2.7Å; T323-G339 WeakPolarHBondContact OG1-CA 3.43Å; T323-G339 PolarHBondContact OG1-N 3.06Å
324W66.6Low53.9Low40 Ų4078.2 Ų78.215%0.15248%0.482CS..EExtended strand (participates in β ladder)trans-92.5136.6177.2-6378.1000109.2Y302 S305 Q306 S309 A335 P337Y302-W324 AromaticContact CD1-CH2 3.7Å; Y302-W324 HydrophobicContact CD1-CH2 3.7Å; Y302-W324 AromaticContact CD1-CZ2 3.74Å; Y302-W324 HydrophobicContact CD1-CZ2 3.74Å; Y302-W324 HydrophobicContact CG-CH2 4Å; Y302-W324 HydrophobicContact CG-CZ2 4.29Å; Y302-W324 WeakPolarHBondContact O-CZ2 3.16Å; S305-W324 PolarHBondContact OG-NE1 2.92Å; Q306-W324 HydrophobicContact CB-CD2 4.2Å; Q306-W324 HydrophobicContact CB-CZ2 4.1Å; Q306-W324 HydrophobicContact CG-CD2 4.27Å; Q306-W324 HydrophobicContact CG-CG 4.48Å; S309-W324 VanDerWaalsContact OG-CD1 3.23Å; W324-A335 HydrophobicContact CE3-CB 3.85Å; W324-A335 HydrophobicContact CZ3-CB 4.39Å; W324-A335 WeakPolarHBondContact CZ3-O 3.05Å; W324-P337 HydrophobicContact CD2-CB 4.36Å; W324-P337 HydrophobicContact CE3-CB 4.34Å; W324-P337 HydrophobicContact CH2-CG 4.42Å; W324-P337 HydrophobicContact CZ2-CB 4.5Å; W324-P337 HydrophobicContact CZ3-CB 4.42Å; W324-P337 HydrophobicContact CZ3-CG 4.32Å
325S56.3Low53.5Low41 Ų4176.2 Ų76.229%0.28746%0.461SS..EExtended strand (participates in β ladder)trans-124.3134168.693.90000109.8T327 Y336 V338S325-T327 PolarHBondContact O-N 2.95Å; S325-T327 PolarHBondContact OG-OG1 3.22Å; S325-Y336 PolarHBondContact N-O 3.1Å; S325-Y336 PolarHBondContact O-N 3.34Å; S325-V338 WeakPolarHBondContact OG-CG2 3.45Å
326D52.7Low52.9Low114 Ų11475 Ų7561%0.6145%0.45SS*.EExtended strand (participates in β ladder)trans-83.290.1170.5-65.9-34.1000108S328 A335D326-S328 PolarHBondContact O-N 3.21Å; D326-S328 VanDerWaalsContact O-N 3.16Å; D326-A335 WeakPolarHBondContact OD1-CB 3.4Å
327T43.2Very low52.6Low84 Ų8467.8 Ų67.852%0.51542%0.419SS..  trans-81.696.5170.2-56.40000108.4S325 T329S325-T327 PolarHBondContact O-N 2.95Å; S325-T327 PolarHBondContact OG-OG1 3.22Å; T327-T329 WeakPolarHBondContact CG2-OG1 3.45Å; T327-T329 PolarHBondContact O-N 2.81Å
328S38.2Very low52.4Low117 Ų11766.1 Ų66.182%0.81841%0.414SS*.  trans-73.157.5175.450.20000112.9D326D326-S328 PolarHBondContact O-N 3.21Å; D326-S328 VanDerWaalsContact O-N 3.16Å
329T33.7Very low52Low122 Ų12266.4 Ų66.475%0.74842%0.419SS*.SBendtrans-105.686.4169.833.30000111.5T327 G331T327-T329 WeakPolarHBondContact CG2-OG1 3.45Å; T327-T329 PolarHBondContact O-N 2.81Å; T329-G331 PolarHBondContact O-N 3.3Å
330G36.6Very low52.2Low82 Ų8263.5 Ų63.585%0.84541%0.408SS*.SBendtrans75.816.4148.800000118.8
331G37.1Very low52.3Low54 Ų5463.6 Ų63.656%0.55741%0.409SS*.SBendtrans-143.6172.6170.600000111.2T329 A333T329-G331 PolarHBondContact O-N 3.3Å; G331-A333 PolarHBondContact O-N 3.42Å
332P36.6Very low52.4Low109 Ų10961.4 Ų61.471%0.70840%0.398SS*.SBendtrans-51.7134.217920.7-30.9000109.7R334P332-R334 WeakPolarHBondContact O-CG 3.33Å; P332-R334 PolarHBondContact O-N 3.35Å
333A38.3Very low52.7Low61 Ų6164.3 Ų64.350%0.50441%0.41SS..  trans-49.4101.9-171.800000111.6A59 G331A59-A333 HydrophobicContact CB-CB 3.97Å; G331-A333 PolarHBondContact O-N 3.42Å
334R51.6Low53.1Low88 Ų8865.2 Ų65.233%0.33241%0.409SS..  trans-107.7116.2176-77.3179.3-176.6178.93.6108.3Y63 P332 Y336Y63-R334 PolarHBondContact OH-NH2 3.38Å; P332-R334 WeakPolarHBondContact O-CG 3.33Å; P332-R334 PolarHBondContact O-N 3.35Å; R334-Y336 HydrophobicContact CB-CD2 4.04Å; R334-Y336 HydrophobicContact CB-CE2 3.5Å; R334-Y336 WeakPolarHBondContact CD-OH 3.42Å; R334-Y336 HydrophobicContact CG-CE2 4.46Å; R334-Y336 PolarHBondContact NH1-OH 3Å; R334-Y336 WeakPolarHBondContact O-CD2 3.33Å; R334-Y336 PolarHBondContact O-N 3.08Å
335A52.3Low53.2Low18 Ų1864.6 Ų64.615%0.14941%0.408CS..EExtended strand (participates in β ladder)trans-73.2117.8168.200000107.9W324 D326W324-A335 HydrophobicContact CE3-CB 3.85Å; W324-A335 HydrophobicContact CZ3-CB 4.39Å; W324-A335 WeakPolarHBondContact CZ3-O 3.05Å; D326-A335 WeakPolarHBondContact OD1-CB 3.4Å
336Y57.1Low53.8Low67 Ų6763.5 Ų63.526%0.26340%0.401SS..EExtended strand (participates in β ladder)trans-102.7135.3173.9-77.3-82.6000109.5S325 R334 V338 E349S325-Y336 PolarHBondContact N-O 3.1Å; S325-Y336 PolarHBondContact O-N 3.34Å; R334-Y336 HydrophobicContact CB-CD2 4.04Å; R334-Y336 HydrophobicContact CB-CE2 3.5Å; R334-Y336 WeakPolarHBondContact CD-OH 3.42Å; R334-Y336 HydrophobicContact CG-CE2 4.46Å; R334-Y336 PolarHBondContact NH1-OH 3Å; R334-Y336 WeakPolarHBondContact O-CD2 3.33Å; R334-Y336 PolarHBondContact O-N 3.08Å; Y336-V338 PolarHBondContact O-N 2.95Å; Y336-E349 HydrophobicContact CE1-CG 4.46Å; Y336-E349 WeakPolarHBondContact CE1-OE1 3.4Å; Y336-E349 VanDerWaalsContact CZ-OE1 3.23Å; Y336-E349 PolarHBondContact OH-OE1 3.35Å; Y336-E349 PolarHBondContact OH-OE2 2.83Å
337P58.5Low54.5Low14 Ų1459.5 Ų59.59%0.09138%0.381CS..EExtended strand (participates in β ladder)trans-69.1117.6168.128.8-30000107.7W324 C342 Y343W324-P337 HydrophobicContact CD2-CB 4.36Å; W324-P337 HydrophobicContact CE3-CB 4.34Å; W324-P337 HydrophobicContact CH2-CG 4.42Å; W324-P337 HydrophobicContact CZ2-CB 4.5Å; W324-P337 HydrophobicContact CZ3-CB 4.42Å; W324-P337 HydrophobicContact CZ3-CG 4.32Å; P337-C342 HydrophobicContact CB-CB 4.24Å; P337-Y343 WeakPolarHBondContact O-CD2 3.49Å
338V59.5Low55.6Low89 Ų8955.9 Ų55.954%0.53936%0.359SS..EExtended strand (participates in β ladder)trans-96.7-9.6179.2-177.70000111.8T323 S325 Y336T323-V338 PolarHBondContact O-N 3Å; S325-V338 WeakPolarHBondContact OG-CG2 3.45Å; Y336-V338 PolarHBondContact O-N 2.95Å
339G57.2Low56.5Low17 Ų1755 Ų5518%0.17534%0.342CS..EExtended strand (participates in β ladder)trans-164.5164.9176.700000112.9G322 T323G322-G339 CarbonylContact C-O 3.52Å; G322-G339 VanDerWaalsContact CA-O 3.22Å; G322-G339 WeakPolarHBondContact CA-O 3.5Å; T323-G339 PolarHBondContact N-O 3.21Å; T323-G339 PolarHBondContact O-N 2.7Å; T323-G339 WeakPolarHBondContact OG1-CA 3.43Å; T323-G339 PolarHBondContact OG1-N 3.06Å
340G67.8Low57.8Low21 Ų2152.1 Ų52.122%0.21633%0.327CS..SBendtrans96.8-175.7176.400000115.2L320 C342 Y343 F344L320-G340 CarbonylContact O-C 3.53Å; L320-G340 WeakPolarHBondContact O-CA 3.22Å; G340-C342 PolarHBondContact O-N 3.23Å; G340-Y343 VanDerWaalsContact O-CB 3.29Å; G340-Y343 WeakPolarHBondContact O-CB 3.21Å; G340-Y343 PolarHBondContact O-N 3.47Å; G340-F344 PolarHBondContact O-N 2.9Å
341L66.8Low58.9Low92 Ų9255 Ų5548%0.48232%0.316SS..Hα-helixtrans-57.5-36.4176.7-72.9168.5000111.9L320 L321 Y343 F344 L345L320-L341 PolarHBondContact O-N 3.22Å; L321-L341 PolarHBondContact O-N 3.12Å; L341-Y343 VanDerWaalsContact C-N 3.27Å; L341-Y343 PolarHBondContact O-N 2.87Å; L341-F344 PolarHBondContact O-N 3.48Å; L341-F344 VanDerWaalsContact O-N 3.13Å; L341-L345 WeakPolarHBondContact O-CD1 3.25Å; L341-L345 PolarHBondContact O-N 3.43Å
342C65.2Low60Low7 Ų754.2 Ų54.25%0.04731%0.308CS..Hα-helixtrans-64-30.8176.3-71.20000113.1Y302 S305 L321 P337 G340 L345 S346Y302-C342 HydrophobicContact CD1-CB 3.94Å; Y302-C342 HydrophobicContact CE1-CB 3.77Å; Y302-C342 WeakPolarHBondContact CE1-O 3.13Å; Y302-C342 PolarHBondContact OH-O 3.03Å; S305-C342 WeakPolarHBondContact CB-SG 3.46Å; S305-C342 PolarHBondContact OG-SG 3.45Å; S305-C342 VanDerWaalsContact OG-SG 3.32Å; L321-C342 WeakPolarHBondContact O-CB 3.23Å; L321-C342 PolarHBondContact O-N 3.39Å; L321-C342 PolarHBondContact O-SG 3.11Å; P337-C342 HydrophobicContact CB-CB 4.24Å; G340-C342 PolarHBondContact O-N 3.23Å; C342-L345 PolarHBondContact O-N 2.92Å; C342-S346 PolarHBondContact O-N 3.42Å
343Y69.6Low61.4Low62 Ų6251.5 Ų51.524%0.24329%0.292CS..Hα-helixtrans-61.1-50.4170.9177.7-100.3000109.7P337 G340 L341 L345 S346 D357 H360P337-Y343 WeakPolarHBondContact O-CD2 3.49Å; G340-Y343 VanDerWaalsContact O-CB 3.29Å; G340-Y343 WeakPolarHBondContact O-CB 3.21Å; G340-Y343 PolarHBondContact O-N 3.47Å; L341-Y343 VanDerWaalsContact C-N 3.27Å; L341-Y343 PolarHBondContact O-N 2.87Å; Y343-L345 VanDerWaalsContact C-N 3.29Å; Y343-L345 PolarHBondContact O-N 3.17Å; Y343-S346 WeakPolarHBondContact O-CB 3.46Å; Y343-S346 PolarHBondContact O-N 2.99Å; Y343-S346 PolarHBondContact O-OG 3.5Å; Y343-D357 PolarHBondContact OH-OD2 2.98Å; Y343-D357 VanDerWaalsContact OH-OD2 3.14Å; Y343-H360 AromaticContact CD1-ND1 3.87Å; Y343-H360 HydrophobicContact CE1-CB 3.97Å; Y343-H360 AromaticContact CE1-CG 3.58Å; Y343-H360 AromaticContact CE1-ND1 3.75Å; Y343-H360 PolarHBondContact O-CE1 3.13Å
344F69.6Low62.7Low71 Ų7150 Ų5031%0.31128%0.277SS..Hα-helixtrans-62.3-28.5178.8-68.8-63.6000115.7G340 L341 S346 H360 I363G340-F344 PolarHBondContact O-N 2.9Å; L341-F344 PolarHBondContact O-N 3.48Å; L341-F344 VanDerWaalsContact O-N 3.13Å; F344-S346 VanDerWaalsContact C-N 3.3Å; F344-H360 VanDerWaalsContact CA-CE1 3.45Å; F344-H360 WeakPolarHBondContact CA-CE1 3.37Å; F344-H360 WeakPolarHBondContact CA-ND1 3.4Å; F344-H360 HydrophobicContact CD1-CB 4.47Å; F344-H360 AromaticContact CD1-ND1 3.55Å; F344-H360 HydrophobicContact CE1-CB 4.47Å; F344-I363 HydrophobicContact CB-CG2 4.05Å; F344-I363 HydrophobicContact CD1-CB 4.29Å; F344-I363 HydrophobicContact CD1-CD1 3.72Å; F344-I363 HydrophobicContact CD1-CG2 4.27Å; F344-I363 HydrophobicContact CE1-CD1 3.72Å; F344-I363 HydrophobicContact CG-CD1 4.45Å; F344-I363 HydrophobicContact CG-CG2 4.37Å; F344-I363 HydrophobicContact CZ-CD1 4.42Å
345L70.3Confident63.5Low26 Ų2651.6 Ų51.614%0.13629%0.291CS..Hα-helixtrans-79.8-15.2175.7-85.975.5000112.5V298 L301 Y302 L341 C342 Y343 Y364 F367V298-L345 HydrophobicContact CG2-CD2 4.33Å; L301-L345 HydrophobicContact CD1-CD2 3.84Å; Y302-L345 PolarHBondContact OH-O 2.97Å; L341-L345 WeakPolarHBondContact O-CD1 3.25Å; L341-L345 PolarHBondContact O-N 3.43Å; C342-L345 PolarHBondContact O-N 2.92Å; Y343-L345 VanDerWaalsContact C-N 3.29Å; Y343-L345 PolarHBondContact O-N 3.17Å; L345-Y364 WeakPolarHBondContact O-CD2 3.42Å; L345-Y364 WeakPolarHBondContact O-CE2 3.2Å; L345-F367 HydrophobicContact CD2-CE1 3.86Å; L345-F367 HydrophobicContact CD2-CZ 3.75Å; L345-F367 HydrophobicContact CG-CD1 4.17Å; L345-F367 HydrophobicContact CG-CE1 3.76Å; L345-F367 HydrophobicContact CG-CZ 3.99Å
346S68.8Low64.6Low18 Ų1856.8 Ų56.813%0.12632%0.316CS..SBendtrans-84136.1-172.170.20000112.6Y302 C342 Y343 F344 H360Y302-S346 WeakPolarHBondContact OH-CA 3.32Å; Y302-S346 VanDerWaalsContact OH-CB 3.25Å; Y302-S346 WeakPolarHBondContact OH-CB 3.42Å; Y302-S346 PolarHBondContact OH-N 3.36Å; C342-S346 PolarHBondContact O-N 3.42Å; Y343-S346 WeakPolarHBondContact O-CB 3.46Å; Y343-S346 PolarHBondContact O-N 2.99Å; Y343-S346 PolarHBondContact O-OG 3.5Å; F344-S346 VanDerWaalsContact C-N 3.3Å; S346-H360 PolarHBondContact O-CE1 3.35Å; S346-H360 VanDerWaalsContact O-CE1 3.32Å; S346-H360 PolarHBondContact O-NE2 3.38Å; S346-H360 VanDerWaalsContact O-NE2 3.1Å
347P67.6Low65.5Low30 Ų3057.3 Ų57.320%0.19532%0.324CS..PPolyproline II helixtrans-64.4130.817725.9-31.6000109.1W64 E349 Y364 D436W64-P347 HydrophobicContact CH2-CG 4.31Å; P347-E349 PolarHBondContact O-N 3.32Å; P347-Y364 HydrophobicContact CB-CE1 4.39Å; P347-Y364 HydrophobicContact CB-CE2 4.2Å; P347-D436 HydrophobicContact CB-CB 4.34Å
348P65.4Low66.5Low9 Ų960.6 Ų60.66%0.05835%0.345CS..PPolyproline II helixtrans-66.9130.8171.127.5-31.9000109.3S350 V354 F437P348-S350 VanDerWaalsContact C-N 3.27Å; P348-S350 PolarHBondContact O-N 2.76Å; P348-V354 HydrophobicContact CB-CG2 3.92Å; P348-V354 HydrophobicContact CG-CG2 3.69Å; P348-F437 HydrophobicContact CG-CD1 3.88Å; P348-F437 HydrophobicContact CG-CE1 3.43Å; P348-F437 VanDerWaalsContact CG-CE1 3.43Å
349E57.9Low67.6Low98 Ų9862.3 Ų62.346%0.45835%0.35SS..SBendtrans-74.6-13.5-170.1-64.7-158.7138.700114.3Y336 P347Y336-E349 HydrophobicContact CE1-CG 4.46Å; Y336-E349 WeakPolarHBondContact CE1-OE1 3.4Å; Y336-E349 VanDerWaalsContact CZ-OE1 3.23Å; Y336-E349 PolarHBondContact OH-OE1 3.35Å; Y336-E349 PolarHBondContact OH-OE2 2.83Å; P347-E349 PolarHBondContact O-N 3.32Å
350S60.3Low68.6Low61 Ų6162 Ų6243%0.42734%0.344SS..SBendtrans-157152.2-173-73.60000112.8P348 G352 S353 V354P348-S350 VanDerWaalsContact C-N 3.27Å; P348-S350 PolarHBondContact O-N 2.76Å; S350-G352 PolarHBondContact O-N 2.94Å; S350-G352 VanDerWaalsContact O-N 3.15Å; S350-S353 WeakPolarHBondContact O-CB 3.25Å; S350-S353 PolarHBondContact O-N 3.49Å; S350-V354 PolarHBondContact O-N 3.15Å
351F59.6Low69.1Low142 Ų14261.2 Ų61.262%0.62334%0.335SS*.Hα-helixtrans-54.8-30.1171.6-164-96.4000112.9L355F351-L355 HydrophobicContact CD1-CD1 3.96Å; F351-L355 HydrophobicContact CE1-CD1 3.86Å; F351-L355 HydrophobicContact CE1-CG 4.45Å; F351-L355 PolarHBondContact O-N 2.88Å
352G60.8Low70Confident38 Ų3859.2 Ų59.239%0.39233%0.333SS..Hα-helixtrans-63.8-47.8172.700000112.8S350 V354 L355 D356S350-G352 PolarHBondContact O-N 2.94Å; S350-G352 VanDerWaalsContact O-N 3.15Å; G352-V354 PolarHBondContact O-N 2.97Å; G352-L355 WeakPolarHBondContact O-CB 3.44Å; G352-L355 PolarHBondContact O-N 3.38Å; G352-D356 PolarHBondContact O-N 3.33Å; G352-D356 VanDerWaalsContact O-N 3.1Å
353S64.6Low70.9Confident53 Ų5362.4 Ų62.437%0.37135%0.348SS..Hα-helixtrans-65.1-27.5178.9-44.80000113S350 D357S350-S353 WeakPolarHBondContact O-CB 3.25Å; S350-S353 PolarHBondContact O-N 3.49Å; S353-D357 PolarHBondContact O-N 3.29Å; S353-D357 VanDerWaalsContact O-N 3.13Å
354V67.1Low71.6Confident30 Ų3060 Ų6018%0.18234%0.339CS..Hα-helixtrans-70.1-34.1173.8174.50000111.9P348 S350 G352 A361 F437P348-V354 HydrophobicContact CB-CG2 3.92Å; P348-V354 HydrophobicContact CG-CG2 3.69Å; S350-V354 PolarHBondContact O-N 3.15Å; G352-V354 PolarHBondContact O-N 2.97Å; V354-A361 HydrophobicContact CB-CB 4.46Å; V354-A361 HydrophobicContact CG1-CB 3.83Å; V354-A361 HydrophobicContact CG2-CB 4.34Å; V354-F437 HydrophobicContact CG2-CD1 4.02Å; V354-F437 HydrophobicContact CG2-CE1 4.08Å
355L68.6Low72.4Confident121 Ų12159.3 Ų59.363%0.63434%0.338SS*.Hα-helixtrans-74.6-34.6176.5-76.9162.4000111.9F351 G352F351-L355 HydrophobicContact CD1-CD1 3.96Å; F351-L355 HydrophobicContact CE1-CD1 3.86Å; F351-L355 HydrophobicContact CE1-CG 4.45Å; F351-L355 PolarHBondContact O-N 2.88Å; G352-L355 WeakPolarHBondContact O-CB 3.44Å; G352-L355 PolarHBondContact O-N 3.38Å
356D74.3Confident73.2Confident126 Ų12663.1 Ų63.167%0.67436%0.362SS*.Hα-helixtrans-71.5-42.7179.3-64.7-29.6000111.4G352 P358G352-D356 PolarHBondContact O-N 3.33Å; G352-D356 VanDerWaalsContact O-N 3.1Å; D356-P358 WeakPolarHBondContact O-CD 3.25Å
357D76.3Confident74.1Confident79 Ų7965.4 Ų65.442%0.42237%0.37SS..  trans-125.277-179.9-72.4-49.3000112.9Y343 S353 I359 H360 A361Y343-D357 PolarHBondContact OH-OD2 2.98Å; Y343-D357 VanDerWaalsContact OH-OD2 3.14Å; S353-D357 PolarHBondContact O-N 3.29Å; S353-D357 VanDerWaalsContact O-N 3.13Å; D357-I359 VanDerWaalsContact C-N 3.27Å; D357-I359 PolarHBondContact O-N 3.48Å; D357-H360 HydrophobicContact CB-CB 3.99Å; D357-H360 PolarHBondContact O-N 2.9Å; D357-A361 PolarHBondContact O-N 2.99Å
358P79.8Confident74.9Confident83 Ų8364 Ų6454%0.53936%0.361SS..Hα-helixtrans-67.1-26.9-176.125.7-34.6000113.4D356 A362D356-P358 WeakPolarHBondContact O-CD 3.25Å; P358-A362 WeakPolarHBondContact O-CB 3.39Å; P358-A362 PolarHBondContact O-N 3.05Å
359I83.2Confident76Confident125 Ų12565.7 Ų65.764%0.64137%0.369SS*.Hα-helixtrans-69-41.3178.2-63.7169.9000110.4D357 A362 I363D357-I359 VanDerWaalsContact C-N 3.27Å; D357-I359 PolarHBondContact O-N 3.48Å; I359-A362 PolarHBondContact O-N 3.35Å; I359-I363 HydrophobicContact CG2-CD1 3.9Å; I359-I363 WeakPolarHBondContact O-CG1 3.42Å; I359-I363 PolarHBondContact O-N 3.46Å
360H77.8Confident77.4Confident9 Ų963 Ų634%0.04237%0.367CS..Hα-helixtrans-60.6-50.2176.7175.145.6000110.8Y343 F344 S346 D357 A362 I363 Y364Y343-H360 AromaticContact CD1-ND1 3.87Å; Y343-H360 HydrophobicContact CE1-CB 3.97Å; Y343-H360 AromaticContact CE1-CG 3.58Å; Y343-H360 AromaticContact CE1-ND1 3.75Å; Y343-H360 PolarHBondContact O-CE1 3.13Å; F344-H360 VanDerWaalsContact CA-CE1 3.45Å; F344-H360 WeakPolarHBondContact CA-CE1 3.37Å; F344-H360 WeakPolarHBondContact CA-ND1 3.4Å; F344-H360 HydrophobicContact CD1-CB 4.47Å; F344-H360 AromaticContact CD1-ND1 3.55Å; F344-H360 HydrophobicContact CE1-CB 4.47Å; S346-H360 PolarHBondContact O-CE1 3.35Å; S346-H360 VanDerWaalsContact O-CE1 3.32Å; S346-H360 PolarHBondContact O-NE2 3.38Å; S346-H360 VanDerWaalsContact O-NE2 3.1Å; D357-H360 HydrophobicContact CB-CB 3.99Å; D357-H360 PolarHBondContact O-N 2.9Å; H360-A362 VanDerWaalsContact C-N 3.33Å; H360-A362 PolarHBondContact O-N 3.05Å; H360-I363 PolarHBondContact O-N 3.37Å; H360-Y364 WeakPolarHBondContact O-CB 3.34Å; H360-Y364 PolarHBondContact O-N 3.36Å
361A78.3Confident78.7Confident5 Ų560.8 Ų60.84%0.04135%0.352CS..Hα-helixtrans-59.6-41.4177.700000112.6V354 D357 Y364 I365 F437V354-A361 HydrophobicContact CB-CB 4.46Å; V354-A361 HydrophobicContact CG1-CB 3.83Å; V354-A361 HydrophobicContact CG2-CB 4.34Å; D357-A361 PolarHBondContact O-N 2.99Å; A361-Y364 PolarHBondContact O-N 3.15Å; A361-I365 WeakPolarHBondContact O-CD1 3.49Å; A361-I365 WeakPolarHBondContact O-CG1 3.48Å; A361-I365 PolarHBondContact O-N 3.27Å; A361-F437 HydrophobicContact CB-CZ 4.49Å
362A84.6Confident79.8Confident51 Ų5154.1 Ų54.142%0.42132%0.323SS..Hα-helixtrans-63.8-44.2178.200000112.5P358 I359 H360 I365 V366P358-A362 WeakPolarHBondContact O-CB 3.39Å; P358-A362 PolarHBondContact O-N 3.05Å; I359-A362 PolarHBondContact O-N 3.35Å; H360-A362 VanDerWaalsContact C-N 3.33Å; H360-A362 PolarHBondContact O-N 3.05Å; A362-I365 PolarHBondContact O-N 3.01Å; A362-V366 WeakPolarHBondContact O-CG2 3.49Å; A362-V366 PolarHBondContact O-N 2.96Å
363I85.4Confident81Confident74 Ų7453.3 Ų53.338%0.37931%0.313SS..Hα-helixtrans-64-44.2177.3-67.8167.1000110.3F344 I359 H360 I365 V366 F367F344-I363 HydrophobicContact CB-CG2 4.05Å; F344-I363 HydrophobicContact CD1-CB 4.29Å; F344-I363 HydrophobicContact CD1-CD1 3.72Å; F344-I363 HydrophobicContact CD1-CG2 4.27Å; F344-I363 HydrophobicContact CE1-CD1 3.72Å; F344-I363 HydrophobicContact CG-CD1 4.45Å; F344-I363 HydrophobicContact CG-CG2 4.37Å; F344-I363 HydrophobicContact CZ-CD1 4.42Å; I359-I363 HydrophobicContact CG2-CD1 3.9Å; I359-I363 WeakPolarHBondContact O-CG1 3.42Å; I359-I363 PolarHBondContact O-N 3.46Å; H360-I363 PolarHBondContact O-N 3.37Å; I363-I365 PolarHBondContact O-N 2.94Å; I363-V366 PolarHBondContact O-N 3.27Å; I363-F367 VanDerWaalsContact O-CB 3.24Å; I363-F367 WeakPolarHBondContact O-CB 3.48Å; I363-F367 PolarHBondContact O-N 3.37Å
364Y83.2Confident82Confident11 Ų1157 Ų574%0.04332%0.322CS..Hα-helixtrans-58.8-47.8176.5176.4-102.5000112L345 P347 H360 A361 V366 F367 M368 V433 D436 F437L345-Y364 WeakPolarHBondContact O-CD2 3.42Å; L345-Y364 WeakPolarHBondContact O-CE2 3.2Å; P347-Y364 HydrophobicContact CB-CE1 4.39Å; P347-Y364 HydrophobicContact CB-CE2 4.2Å; H360-Y364 WeakPolarHBondContact O-CB 3.34Å; H360-Y364 PolarHBondContact O-N 3.36Å; A361-Y364 PolarHBondContact O-N 3.15Å; Y364-V366 PolarHBondContact O-N 2.87Å; Y364-F367 PolarHBondContact O-N 3.06Å; Y364-M368 HydrophobicContact CE1-CG 4.37Å; Y364-M368 HydrophobicContact CE2-CG 4.1Å; Y364-M368 WeakPolarHBondContact O-CB 3.37Å; Y364-M368 PolarHBondContact O-N 3.47Å; Y364-V433 HydrophobicContact CD1-CG1 4.3Å; Y364-V433 HydrophobicContact CD1-CG2 4.39Å; Y364-V433 HydrophobicContact CE1-CB 4.39Å; Y364-V433 HydrophobicContact CE1-CG1 4.06Å; Y364-V433 HydrophobicContact CE1-CG2 3.78Å; Y364-D436 PolarHBondContact OH-OD2 3.2Å; Y364-F437 HydrophobicContact CD1-CE1 4.35Å
365I85.9Confident82.9Confident56 Ų5657.7 Ų57.729%0.28732%0.323SS..Hα-helixtrans-57.5-51177.3-70.4158.7000111A361 A362 I363 F367 M368 L369 V433 F437A361-I365 WeakPolarHBondContact O-CD1 3.49Å; A361-I365 WeakPolarHBondContact O-CG1 3.48Å; A361-I365 PolarHBondContact O-N 3.27Å; A362-I365 PolarHBondContact O-N 3.01Å; I363-I365 PolarHBondContact O-N 2.94Å; I365-F367 VanDerWaalsContact C-N 3.34Å; I365-F367 PolarHBondContact O-N 3.5Å; I365-M368 PolarHBondContact O-N 3.43Å; I365-L369 HydrophobicContact CG2-CD1 3.47Å; I365-L369 VanDerWaalsContact CG2-CD1 3.47Å; I365-L369 HydrophobicContact CG2-CG 4.41Å; I365-L369 WeakPolarHBondContact O-CB 3.49Å; I365-L369 WeakPolarHBondContact O-CD1 3.45Å; I365-L369 VanDerWaalsContact O-CG 3.3Å; I365-L369 WeakPolarHBondContact O-CG 3.41Å; I365-L369 PolarHBondContact O-N 3.41Å; I365-V433 HydrophobicContact CG1-CG1 3.75Å; I365-F437 HydrophobicContact CD1-CE2 3.84Å; I365-F437 HydrophobicContact CD1-CZ 3.8Å; I365-F437 HydrophobicContact CG1-CE2 4.03Å; I365-F437 HydrophobicContact CG1-CZ 3.74Å
366V88.8Confident83.6Confident106 Ų10652 Ų5264%0.64229%0.293SS*.Hα-helixtrans-63.9-42.6-177.9172.30000110.7A362 I363 Y364 G370A362-V366 WeakPolarHBondContact O-CG2 3.49Å; A362-V366 PolarHBondContact O-N 2.96Å; I363-V366 PolarHBondContact O-N 3.27Å; Y364-V366 PolarHBondContact O-N 2.87Å; V366-G370 WeakPolarHBondContact O-CA 3.33Å; V366-G370 PolarHBondContact O-N 3.36Å
367F86.8Confident83.9Confident66 Ų6651.5 Ų51.529%0.28929%0.285SS..Hα-helixtrans-63.7-45.6177.1178.4-101.4000111.7V298 L345 I363 Y364 I365 S371V298-F367 HydrophobicContact CG2-CE1 3.98Å; L345-F367 HydrophobicContact CD2-CE1 3.86Å; L345-F367 HydrophobicContact CD2-CZ 3.75Å; L345-F367 HydrophobicContact CG-CD1 4.17Å; L345-F367 HydrophobicContact CG-CE1 3.76Å; L345-F367 HydrophobicContact CG-CZ 3.99Å; I363-F367 VanDerWaalsContact O-CB 3.24Å; I363-F367 WeakPolarHBondContact O-CB 3.48Å; I363-F367 PolarHBondContact O-N 3.37Å; Y364-F367 PolarHBondContact O-N 3.06Å; I365-F367 VanDerWaalsContact C-N 3.34Å; I365-F367 PolarHBondContact O-N 3.5Å; F367-S371 WeakPolarHBondContact O-CB 3.49Å; F367-S371 PolarHBondContact O-N 2.94Å; F367-S371 PolarHBondContact O-OG 2.92Å
368M84.5Confident84.3Confident2 Ų249.9 Ų49.91%0.0128%0.278CS..Hα-helixtrans-64.3-49.1179.8-108.1-52.3-71.900112.4Q294 Y364 I365 S371 C372 V433Q294-M368 HydrophobicContact CG-SD 3.95Å; Q294-M368 PolarHBondContact NE2-SD 3.32Å; Q294-M368 PolarHBondContact OE1-SD 2.84Å; Y364-M368 HydrophobicContact CE1-CG 4.37Å; Y364-M368 HydrophobicContact CE2-CG 4.1Å; Y364-M368 WeakPolarHBondContact O-CB 3.37Å; Y364-M368 PolarHBondContact O-N 3.47Å; I365-M368 PolarHBondContact O-N 3.43Å; M368-S371 PolarHBondContact O-OG 3.49Å; M368-C372 WeakPolarHBondContact CE-SG 3.37Å; M368-C372 VanDerWaalsContact O-CB 3.3Å; M368-C372 WeakPolarHBondContact O-CB 3.26Å; M368-C372 PolarHBondContact O-N 3.29Å; M368-C372 PolarHBondContact O-SG 3.44Å; M368-V433 HydrophobicContact CB-CG2 3.73Å; M368-V433 HydrophobicContact CG-CG2 4.03Å
369L88.4Confident84.3Confident43 Ų4347.8 Ų47.823%0.22526%0.259CS..Hα-helixtrans-64.5-44.7179.1-69.5164.4000111.3I365 A373 L426I365-L369 HydrophobicContact CG2-CD1 3.47Å; I365-L369 VanDerWaalsContact CG2-CD1 3.47Å; I365-L369 HydrophobicContact CG2-CG 4.41Å; I365-L369 WeakPolarHBondContact O-CB 3.49Å; I365-L369 WeakPolarHBondContact O-CD1 3.45Å; I365-L369 VanDerWaalsContact O-CG 3.3Å; I365-L369 WeakPolarHBondContact O-CG 3.41Å; I365-L369 PolarHBondContact O-N 3.41Å; L369-A373 VanDerWaalsContact O-CB 3.28Å; L369-A373 WeakPolarHBondContact O-CB 3.45Å; L369-A373 PolarHBondContact O-N 3.27Å; L369-L426 HydrophobicContact CD2-CD2 3.83Å; L369-L426 HydrophobicContact CD2-CG 3.87Å; L369-L426 WeakPolarHBondContact CD2-O 3.41Å
370G88.3Confident84.3Confident41 Ų4142.4 Ų42.442%0.42323%0.231SC..Hα-helixtrans-64-47.518000000112.4V366 A373 F374V366-G370 WeakPolarHBondContact O-CA 3.33Å; V366-G370 PolarHBondContact O-N 3.36Å; G370-A373 PolarHBondContact O-N 2.77Å; G370-F374 VanDerWaalsContact O-CB 3.27Å; G370-F374 WeakPolarHBondContact O-CB 3.33Å; G370-F374 PolarHBondContact O-N 2.75Å
371S86.1Confident84.3Confident16 Ų1649.2 Ų49.211%0.11226%0.263CS..Hα-helixtrans-65.9-43.5178.5590000112Q294 F367 M368 A373 F374 F375Q294-S371 VanDerWaalsContact CG-OG 3.28Å; Q294-S371 WeakPolarHBondContact CG-OG 3.24Å; F367-S371 WeakPolarHBondContact O-CB 3.49Å; F367-S371 PolarHBondContact O-N 2.94Å; F367-S371 PolarHBondContact O-OG 2.92Å; M368-S371 PolarHBondContact O-OG 3.49Å; S371-A373 PolarHBondContact O-N 2.94Å; S371-F374 PolarHBondContact O-N 2.92Å; S371-F375 WeakPolarHBondContact O-CB 3.46Å; S371-F375 WeakPolarHBondContact O-CD2 3.39Å; S371-F375 PolarHBondContact O-N 3.33Å
372C83.1Confident84.1Confident1 Ų152.3 Ų52.31%0.00728%0.282CS..Hα-helixtrans-64-41.9176.9-71.50000112.7M368 S376 G425M368-C372 WeakPolarHBondContact CE-SG 3.37Å; M368-C372 VanDerWaalsContact O-CB 3.3Å; M368-C372 WeakPolarHBondContact O-CB 3.26Å; M368-C372 PolarHBondContact O-N 3.29Å; M368-C372 PolarHBondContact O-SG 3.44Å; C372-S376 VanDerWaalsContact O-CB 3.22Å; C372-S376 WeakPolarHBondContact O-CB 3.46Å; C372-S376 PolarHBondContact O-N 2.9Å; C372-G425 WeakPolarHBondContact CB-O 3.26Å
373A85.2Confident83.3Confident22 Ų2252 Ų5218%0.18228%0.277CS..Hα-helixtrans-66.5-39.7176.300000112L369 G370 S371 K377L369-A373 VanDerWaalsContact O-CB 3.28Å; L369-A373 WeakPolarHBondContact O-CB 3.45Å; L369-A373 PolarHBondContact O-N 3.27Å; G370-A373 PolarHBondContact O-N 2.77Å; S371-A373 PolarHBondContact O-N 2.94Å; A373-K377 PolarHBondContact O-N 3.18Å
374F87.4Confident82.7Confident129 Ų12949.8 Ų49.857%0.56627%0.271SS*.Hα-helixtrans-64.4-52.8176.5179-99.2000111.5G370 S371 S376 K377 T378G370-F374 VanDerWaalsContact O-CB 3.27Å; G370-F374 WeakPolarHBondContact O-CB 3.33Å; G370-F374 PolarHBondContact O-N 2.75Å; S371-F374 PolarHBondContact O-N 2.92Å; F374-S376 VanDerWaalsContact C-N 3.3Å; F374-S376 PolarHBondContact O-N 3.15Å; F374-K377 PolarHBondContact O-N 2.61Å; F374-T378 HydrophobicContact CD1-CG2 4.43Å; F374-T378 HydrophobicContact CE1-CG2 4Å; F374-T378 HydrophobicContact CE2-CG2 4.16Å; F374-T378 HydrophobicContact CZ-CG2 3.86Å; F374-T378 PolarHBondContact O-N 2.91Å; F374-T378 PolarHBondContact O-OG1 2.99Å
375F84.2Confident82.4Confident46 Ų4651.3 Ų51.320%0.20228%0.284CS..Hα-helixtrans-62.5-35.9178.4-78.1-56.2000112.7P290 Q294 L297 S371 T378 W379P290-F375 HydrophobicContact CB-CB 4.17Å; Q294-F375 HydrophobicContact CB-CD2 4.1Å; Q294-F375 HydrophobicContact CB-CE2 4.43Å; L297-F375 HydrophobicContact CD1-CE2 4.27Å; L297-F375 HydrophobicContact CD1-CZ 3.75Å; S371-F375 WeakPolarHBondContact O-CB 3.46Å; S371-F375 WeakPolarHBondContact O-CD2 3.39Å; S371-F375 PolarHBondContact O-N 3.33Å; F375-T378 WeakPolarHBondContact CA-OG1 3.37Å; F375-T378 PolarHBondContact O-OG1 2.9Å; F375-W379 WeakPolarHBondContact O-CB 3.3Å; F375-W379 PolarHBondContact O-N 3.4Å
376S83.6Confident82.2Confident0 Ų049.8 Ų49.80%028%0.278CS..Hα-helixtrans-62.1-44.6174.8-172.90000111.7T286 C372 F374 W379 I380 A421T286-S376 PolarHBondContact OG1-OG 2.81Å; C372-S376 VanDerWaalsContact O-CB 3.22Å; C372-S376 WeakPolarHBondContact O-CB 3.46Å; C372-S376 PolarHBondContact O-N 2.9Å; F374-S376 VanDerWaalsContact C-N 3.3Å; F374-S376 PolarHBondContact O-N 3.15Å; S376-W379 PolarHBondContact O-N 3.48Å; S376-I380 WeakPolarHBondContact O-CG1 3.44Å; S376-I380 PolarHBondContact O-N 2.88Å; S376-A421 WeakPolarHBondContact CB-O 3.08Å; S376-A421 PolarHBondContact OG-O 3.32Å
377K82.3Confident81.9Confident116 Ų11644.9 Ų44.950%0.50425%0.249SC..Hα-helixtrans-64.9-47.6178.8-76.7-174.8178.5-178.40112.6A373 F374 W379 I380 A422A373-K377 PolarHBondContact O-N 3.18Å; F374-K377 PolarHBondContact O-N 2.61Å; K377-W379 VanDerWaalsContact C-N 3.27Å; K377-W379 PolarHBondContact O-N 3.35Å; K377-I380 PolarHBondContact O-N 3.43Å; K377-A422 HydrophobicContact CD-CB 4.43Å; K377-A422 HydrophobicContact CG-CB 4.23Å
378T82.9Confident81.7Confident45 Ų4549.1 Ų49.128%0.27627%0.267SS..Hα-helixtrans-65.2-34.7179.955.60000111.4F374 F375 I380 E381 V382F374-T378 HydrophobicContact CD1-CG2 4.43Å; F374-T378 HydrophobicContact CE1-CG2 4Å; F374-T378 HydrophobicContact CE2-CG2 4.16Å; F374-T378 HydrophobicContact CZ-CG2 3.86Å; F374-T378 PolarHBondContact O-N 2.91Å; F374-T378 PolarHBondContact O-OG1 2.99Å; F375-T378 WeakPolarHBondContact CA-OG1 3.37Å; F375-T378 PolarHBondContact O-OG1 2.9Å; T378-I380 VanDerWaalsContact C-N 3.34Å; T378-I380 PolarHBondContact O-N 2.84Å; T378-E381 PolarHBondContact O-N 3.35Å; T378-V382 WeakPolarHBondContact O-CG2 3.2Å; T378-V382 PolarHBondContact O-N 3.1Å
379W81.3Confident81.6Confident40 Ų4051.9 Ų51.915%0.15228%0.282CS..Hα-helixtrans-64.8-34.2178.4-169.8-103.4000113.6I289 L293 F375 S376 K377 E381 V382 S383I289-W379 HydrophobicContact CB-CD2 4.5Å; I289-W379 HydrophobicContact CB-CZ2 4.37Å; I289-W379 HydrophobicContact CD1-CZ2 3.64Å; I289-W379 HydrophobicContact CG2-CD2 3.82Å; I289-W379 HydrophobicContact CG2-CE3 4.09Å; I289-W379 HydrophobicContact CG2-CG 4.49Å; I289-W379 HydrophobicContact CG2-CH2 3.88Å; I289-W379 HydrophobicContact CG2-CZ2 3.62Å; I289-W379 HydrophobicContact CG2-CZ3 4.11Å; L293-W379 HydrophobicContact CD1-CD2 4.4Å; L293-W379 HydrophobicContact CD1-CE3 3.63Å; L293-W379 HydrophobicContact CD1-CZ3 3.91Å; F375-W379 WeakPolarHBondContact O-CB 3.3Å; F375-W379 PolarHBondContact O-N 3.4Å; S376-W379 PolarHBondContact O-N 3.48Å; K377-W379 VanDerWaalsContact C-N 3.27Å; K377-W379 PolarHBondContact O-N 3.35Å; W379-E381 PolarHBondContact O-N 3.48Å; W379-V382 PolarHBondContact O-N 2.89Å; W379-S383 WeakPolarHBondContact O-CB 3.33Å; W379-S383 PolarHBondContact O-N 3.28Å; W379-S383 PolarHBondContact O-OG 3.5Å
380I81.4Confident81.3Confident11 Ų1150 Ų506%0.05627%0.273CS..Hα-helixtrans-59.8-39.1176.1-63.4162.9000111.3Y285 T286 S376 K377 T378 S383 S385 S386 I417 A421Y285-I380 HydrophobicContact CD1-CG1 4.4Å; T286-I380 HydrophobicContact CG2-CD1 4.31Å; T286-I380 HydrophobicContact CG2-CG1 3.43Å; T286-I380 VanDerWaalsContact CG2-CG1 3.43Å; S376-I380 WeakPolarHBondContact O-CG1 3.44Å; S376-I380 PolarHBondContact O-N 2.88Å; K377-I380 PolarHBondContact O-N 3.43Å; T378-I380 VanDerWaalsContact C-N 3.34Å; T378-I380 PolarHBondContact O-N 2.84Å; I380-S383 PolarHBondContact O-OG 3.49Å; I380-S385 PolarHBondContact O-N 3.49Å; I380-S386 PolarHBondContact O-N 2.93Å; I380-I417 HydrophobicContact CD1-CG2 4.4Å; I380-I417 HydrophobicContact CG2-CG2 4.1Å; I380-A421 HydrophobicContact CD1-CB 3.01Å; I380-A421 HydrophobicContact CG1-CB 3.8Å
381E78.9Confident81Confident152 Ų15248.5 Ų48.571%0.7126%0.256SS*.Hα-helixtrans-72.6-40.8-179.3-61.9-176.7171.700111.3T378 W379T378-E381 PolarHBondContact O-N 3.35Å; W379-E381 PolarHBondContact O-N 3.48Å
382V73.9Confident80.9Confident70 Ų7054 Ų5442%0.42428%0.278SS..Hα-helixtrans-73.4-37.6179.9176.30000112.2T378 W379 G384T378-V382 WeakPolarHBondContact O-CG2 3.2Å; T378-V382 PolarHBondContact O-N 3.1Å; W379-V382 PolarHBondContact O-N 2.89Å; V382-G384 PolarHBondContact O-N 2.95Å
383S68.4Low80.9Confident46 Ų4658.8 Ų58.832%0.32230%0.3SS..THydrogen-bonded Turntrans-75.6-4.1-177.660.90000114.1W379 I380 S385W379-S383 WeakPolarHBondContact O-CB 3.33Å; W379-S383 PolarHBondContact O-N 3.28Å; W379-S383 PolarHBondContact O-OG 3.5Å; I380-S383 PolarHBondContact O-OG 3.49Å; S383-S385 PolarHBondContact O-N 3.5Å; S383-S385 WeakPolarHBondContact OG-CB 3.49Å; S383-S385 PolarHBondContact OG-OG 3.49Å
384G72.4Confident80.7Confident26 Ų2658.1 Ų58.127%0.26829%0.294SS..THydrogen-bonded Turntrans62.823.1-173.600000112.8V382 S386 D389V382-G384 PolarHBondContact O-N 2.95Å; G384-S386 VanDerWaalsContact C-N 3.32Å; G384-D389 WeakPolarHBondContact CA-OD2 3.4Å; G384-D389 WeakPolarHBondContact O-CB 3.34Å
385S76.4Confident80.5Confident44 Ų4457.1 Ų57.131%0.30829%0.289SS..  trans-99.216.9176.3-58.30000111.6Y285 I380 S383Y285-S385 WeakPolarHBondContact CE1-O 3.33Å; Y285-S385 PolarHBondContact OH-O 3.37Å; I380-S385 PolarHBondContact O-N 3.49Å; S383-S385 PolarHBondContact O-N 3.5Å; S383-S385 WeakPolarHBondContact OG-CB 3.49Å; S383-S385 PolarHBondContact OG-OG 3.49Å
386S81.9Confident80.5Confident23 Ų2361.2 Ų61.216%0.16131%0.309CS..SBendtrans-65.3156.1178.183.50000111.2I380 G384 K388 D389 V390I380-S386 PolarHBondContact O-N 2.93Å; G384-S386 VanDerWaalsContact C-N 3.32Å; S386-K388 PolarHBondContact O-N 2.67Å; S386-D389 WeakPolarHBondContact CB-OD2 3.46Å; S386-D389 PolarHBondContact O-N 2.58Å; S386-D389 PolarHBondContact OG-N 3.05Å; S386-D389 PolarHBondContact OG-OD2 2.77Å; S386-V390 WeakPolarHBondContact O-CG2 3.21Å; S386-V390 PolarHBondContact O-N 2.84Å
387A82.3Confident80.3Confident4 Ų467.5 Ų67.53%0.03334%0.338CS..Hα-helixtrans-55.2-30.7179.100000113A391 L413 N414 I417A387-A391 WeakPolarHBondContact O-CB 3.3Å; A387-A391 PolarHBondContact O-N 2.82Å; A387-A391 VanDerWaalsContact O-N 3.12Å; A387-L413 HydrophobicContact CB-CB 4.03Å; A387-N414 HydrophobicContact CB-CB 3.9Å; A387-I417 HydrophobicContact CB-CD1 3.99Å
388K83.4Confident80.1Confident155 Ų15567.2 Ų67.267%0.67434%0.339SS*.Hα-helixtrans-73.4-43.4176.7-66.4-179.8-178.2174.60111.9S386 A391 K392 V410S386-K388 PolarHBondContact O-N 2.67Å; K388-A391 PolarHBondContact O-N 3.48Å; K388-K392 WeakPolarHBondContact O-CB 3.47Å; K388-K392 PolarHBondContact O-N 2.87Å; K388-V410 HydrophobicContact CG-CG1 4.27Å
389D82.3Confident79.9Confident59 Ų5966.3 Ų66.332%0.31633%0.332SS..Hα-helixtrans-69.5-42.6-178.7-58.6-41.5000111.2G384 S386 A391 K392 Q393G384-D389 WeakPolarHBondContact CA-OD2 3.4Å; G384-D389 WeakPolarHBondContact O-CB 3.34Å; S386-D389 WeakPolarHBondContact CB-OD2 3.46Å; S386-D389 PolarHBondContact O-N 2.58Å; S386-D389 PolarHBondContact OG-N 3.05Å; S386-D389 PolarHBondContact OG-OD2 2.77Å; D389-A391 PolarHBondContact O-N 3.41Å; D389-K392 WeakPolarHBondContact O-CB 3.36Å; D389-K392 PolarHBondContact O-N 3.25Å; D389-Q393 WeakPolarHBondContact O-CG 3.41Å; D389-Q393 PolarHBondContact O-N 2.94Å
390V81.9Confident79.5Confident5 Ų566.7 Ų66.73%0.0334%0.338CS..Hα-helixtrans-62.8-43.4174.51760000110.9Y279 Y285 S386 K392 Q393 L394 L413 I417Y279-V390 HydrophobicContact CE1-CG1 4.44Å; Y285-V390 WeakPolarHBondContact OH-CG2 3.18Å; S386-V390 WeakPolarHBondContact O-CG2 3.21Å; S386-V390 PolarHBondContact O-N 2.84Å; V390-K392 VanDerWaalsContact C-N 3.29Å; V390-K392 PolarHBondContact O-N 2.95Å; V390-Q393 PolarHBondContact O-N 2.89Å; V390-L394 HydrophobicContact CG1-CD1 4.08Å; V390-L394 HydrophobicContact CG1-CG 4.42Å; V390-L394 WeakPolarHBondContact O-CB 3.38Å; V390-L394 WeakPolarHBondContact O-CG 3.48Å; V390-L394 PolarHBondContact O-N 3.24Å; V390-L413 HydrophobicContact CG1-CD1 4.4Å; V390-I417 HydrophobicContact CB-CD1 4.47Å; V390-I417 HydrophobicContact CG2-CD1 4.42Å
391A82.5Confident79.1Confident9 Ų966.5 Ų66.57%0.07434%0.337CS..Hα-helixtrans-62.4-37.9175.400000112.2A387 K388 D389 K395 M409 V410 L413A387-A391 WeakPolarHBondContact O-CB 3.3Å; A387-A391 PolarHBondContact O-N 2.82Å; A387-A391 VanDerWaalsContact O-N 3.12Å; K388-A391 PolarHBondContact O-N 3.48Å; D389-A391 PolarHBondContact O-N 3.41Å; A391-K395 WeakPolarHBondContact O-CB 3.18Å; A391-K395 PolarHBondContact O-N 2.89Å; A391-M409 HydrophobicContact CB-SD 4.45Å; A391-V410 HydrophobicContact CB-CG2 3.62Å; A391-L413 HydrophobicContact CB-CD1 3.95Å
392K84.1Confident78.5Confident130 Ų13060.5 Ų60.557%0.56532%0.316SS*.Hα-helixtrans-64.7-44.4175-169.3-173.6175.3-163.70111.4K388 D389 V390 K395 E396K388-K392 WeakPolarHBondContact O-CB 3.47Å; K388-K392 PolarHBondContact O-N 2.87Å; D389-K392 WeakPolarHBondContact O-CB 3.36Å; D389-K392 PolarHBondContact O-N 3.25Å; V390-K392 VanDerWaalsContact C-N 3.29Å; V390-K392 PolarHBondContact O-N 2.95Å; K392-K395 WeakPolarHBondContact O-CB 3.38Å; K392-K395 PolarHBondContact O-N 2.92Å; K392-E396 VanDerWaalsContact CE-OE1 3.31Å; K392-E396 WeakPolarHBondContact CE-OE1 3.45Å; K392-E396 IonicContact NZ-OE1 3.33Å; K392-E396 WeakPolarHBondContact O-CG 3.31Å; K392-E396 PolarHBondContact O-N 2.88Å
393Q82Confident78.1Confident102 Ų10261.2 Ų61.248%0.47734%0.338SS..Hα-helixtrans-61.7-45.4175.6-72.8178.27.700112.1D389 V390 K395 E396 Q397D389-Q393 WeakPolarHBondContact O-CG 3.41Å; D389-Q393 PolarHBondContact O-N 2.94Å; V390-Q393 PolarHBondContact O-N 2.89Å; Q393-K395 VanDerWaalsContact C-N 3.26Å; Q393-K395 PolarHBondContact O-N 3.29Å; Q393-E396 PolarHBondContact O-N 3.39Å; Q393-Q397 WeakPolarHBondContact O-CG 3.25Å; Q393-Q397 PolarHBondContact O-N 3.13Å
394L82Confident78.2Confident9 Ų962.9 Ų62.95%0.04734%0.34CS..Hα-helixtrans-61.2-37.5175.9-72.3172.5000111.6I267 V390 Q397 Q398 M399 M409 L413I267-L394 HydrophobicContact CD1-CD1 3.92Å; I267-L394 HydrophobicContact CD1-CD2 3.87Å; V390-L394 HydrophobicContact CG1-CD1 4.08Å; V390-L394 HydrophobicContact CG1-CG 4.42Å; V390-L394 WeakPolarHBondContact O-CB 3.38Å; V390-L394 WeakPolarHBondContact O-CG 3.48Å; V390-L394 PolarHBondContact O-N 3.24Å; L394-Q397 CarbonylContact O-C 3.48Å; L394-Q397 PolarHBondContact O-N 2.96Å; L394-Q398 PolarHBondContact O-N 3.45Å; L394-Q398 VanDerWaalsContact O-N 3.16Å; L394-M399 HydrophobicContact CB-CB 4.47Å; L394-M399 HydrophobicContact CD2-CB 4.14Å; L394-M399 PolarHBondContact O-N 3.07Å; L394-M409 HydrophobicContact CB-SD 4.22Å; L394-M409 HydrophobicContact CD1-SD 4.04Å; L394-L413 HydrophobicContact CD1-CD1 4.2Å
395K82.4Confident77.9Confident107 Ų10771.5 Ų71.547%0.46537%0.365SS..Hα-helixtrans-65.3-45.4174.8-176.5174.7-179.4151.70112.4A391 K392 Q393 Q397 Q398 E406A391-K395 WeakPolarHBondContact O-CB 3.18Å; A391-K395 PolarHBondContact O-N 2.89Å; K392-K395 WeakPolarHBondContact O-CB 3.38Å; K392-K395 PolarHBondContact O-N 2.92Å; Q393-K395 VanDerWaalsContact C-N 3.26Å; Q393-K395 PolarHBondContact O-N 3.29Å; K395-Q397 PolarHBondContact O-N 3.1Å; K395-Q398 PolarHBondContact O-N 3.27Å; K395-Q398 PolarHBondContact O-NE2 3.25Å; K395-Q398 VanDerWaalsContact O-NE2 3.1Å; K395-E406 IonicContact NZ-OE2 3.72Å; K395-E406 PolarHBondContact NZ-OE2 3.44Å
396E84.3Confident77.2Confident133 Ų13374.6 Ų74.662%0.62137%0.374SS*.Hα-helixtrans-60.8-34.3175.5-74.3173.5-170.100111.4K392 Q393 Q398K392-E396 VanDerWaalsContact CE-OE1 3.31Å; K392-E396 WeakPolarHBondContact CE-OE1 3.45Å; K392-E396 IonicContact NZ-OE1 3.33Å; K392-E396 WeakPolarHBondContact O-CG 3.31Å; K392-E396 PolarHBondContact O-N 2.88Å; Q393-E396 PolarHBondContact O-N 3.39Å; E396-Q398 VanDerWaalsContact C-N 3.26Å; E396-Q398 PolarHBondContact O-N 3.33Å
397Q79.2Confident76.6Confident131 Ų13179 Ų7961%0.61240%0.4SS*.THydrogen-bonded Turntrans-79.60.4173.7-67.2179.20.100114.4Q393 L394 K395 M399Q393-Q397 WeakPolarHBondContact O-CG 3.25Å; Q393-Q397 PolarHBondContact O-N 3.13Å; L394-Q397 CarbonylContact O-C 3.48Å; L394-Q397 PolarHBondContact O-N 2.96Å; K395-Q397 PolarHBondContact O-N 3.1Å; Q397-M399 VanDerWaalsContact C-N 3.28Å; Q397-M399 HydrophobicContact CB-CG 3.97Å; Q397-M399 PolarHBondContact O-N 3.1Å
398Q78Confident76.3Confident111 Ų11181 Ų8152%0.51941%0.414SS..THydrogen-bonded Turntrans57.338.4-177.4-61-70.3-64.800113.2A270 L394 K395 E396A270-Q398 WeakPolarHBondContact CB-O 3.42Å; A270-Q398 PolarHBondContact N-O 3.43Å; L394-Q398 PolarHBondContact O-N 3.45Å; L394-Q398 VanDerWaalsContact O-N 3.16Å; K395-Q398 PolarHBondContact O-N 3.27Å; K395-Q398 PolarHBondContact O-NE2 3.25Å; K395-Q398 VanDerWaalsContact O-NE2 3.1Å; E396-Q398 VanDerWaalsContact C-N 3.26Å; E396-Q398 PolarHBondContact O-N 3.33Å
399M78.3Confident76Confident26 Ų2674 Ų7413%0.12838%0.384CS..EExtended strand (participates in β ladder)trans-104.3129.1178.1-64.5-66.9-76.400109.7I267 N277 L394 Q397 M409I267-M399 HydrophobicContact CB-CE 4.3Å; I267-M399 HydrophobicContact CG2-CB 3.73Å; I267-M399 HydrophobicContact CG2-CE 3.89Å; N277-M399 HydrophobicContact CB-CE 4.21Å; L394-M399 HydrophobicContact CB-CB 4.47Å; L394-M399 HydrophobicContact CD2-CB 4.14Å; L394-M399 PolarHBondContact O-N 3.07Å; Q397-M399 VanDerWaalsContact C-N 3.28Å; Q397-M399 HydrophobicContact CB-CG 3.97Å; Q397-M399 PolarHBondContact O-N 3.1Å; M399-M409 WeakPolarHBondContact O-CE 3.39Å
400V74.5Confident76Confident48 Ų4873.6 Ų73.629%0.29138%0.383SS..EExtended strand (participates in β ladder)trans-124.8136.6-176.1-174.60000110I267 K268 A270I267-V400 WeakPolarHBondContact CG2-O 3.3Å; K268-V400 PolarHBondContact N-O 3.32Å; K268-V400 PolarHBondContact O-N 2.67Å; K268-V400 VanDerWaalsContact O-O 3.09Å; A270-V400 HydrophobicContact CB-CG2 4.05Å
401M71.8Confident76.1Confident7 Ų780.3 Ų80.33%0.03441%0.414CS..EExtended strand (participates in β ladder)trans-71.2137.4178.2-164.3170.6-79.400110.3L265 P266 G403 H404 M409 E412 L413L265-M401 HydrophobicContact CB-CE 4.07Å; L265-M401 HydrophobicContact CD1-CE 3.87Å; L265-M401 HydrophobicContact CG-CE 4.42Å; P266-M401 WeakPolarHBondContact O-CG 3.24Å; M401-G403 PolarHBondContact O-N 2.82Å; M401-H404 HydrophobicContact CB-CB 4.5Å; M401-H404 PolarHBondContact O-N 2.95Å; M401-M409 HydrophobicContact CB-CG 4.27Å; M401-M409 HydrophobicContact CE-CG 4.34Å; M401-E412 HydrophobicContact SD-CB 4.4Å; M401-E412 HydrophobicContact SD-CG 4.21Å; M401-L413 HydrophobicContact CE-CD2 4.43Å
402G65.5Low76.1Confident25 Ų2582 Ų8226%0.25842%0.42SS..THydrogen-bonded Turntrans-60.9120.6-177.900000112P266P266-G402 PolarHBondContact O-N 3.1Å
403G66.4Low76Confident86 Ų8675.8 Ų75.889%0.88739%0.393SS*.THydrogen-bonded Turntrans87.7-6.2174.500000116M401M401-G403 PolarHBondContact O-N 2.82Å
404H69.6Low76.2Confident80 Ų8075.3 Ų75.337%0.3739%0.394SS..  trans-115.8141.4-176.2-71.5105.2000112.5M401 E412M401-H404 HydrophobicContact CB-CB 4.5Å; M401-H404 PolarHBondContact O-N 2.95Å; H404-E412 IonicContact CD2-OE2 2.75Å; H404-E412 IonicContact CE1-OE1 3.78Å; H404-E412 IonicContact CE1-OE2 3Å; H404-E412 PolarHBondContact CE1-OE2 2.89Å; H404-E412 IonicContact CG-OE2 3.53Å; H404-E412 IonicContact ND1-OE2 2.97Å; H404-E412 PolarHBondContact ND1-OE2 3.26Å; H404-E412 IonicContact NE2-OE2 3.6Å
405R67.3Low76.3Confident208 Ų20883.4 Ų83.479%0.78542%0.424SS*.  trans-72161.2169.8-71.7-176.7177.4177.2-0.3110.2T407 S408 M409R405-T407 VanDerWaalsContact C-N 3.26Å; R405-T407 PolarHBondContact O-N 3.24Å; R405-T407 VanDerWaalsContact O-N 3.16Å; R405-S408 WeakPolarHBondContact O-CA 3.26Å; R405-S408 WeakPolarHBondContact O-CB 3.39Å; R405-S408 PolarHBondContact O-N 3.07Å; R405-M409 PolarHBondContact O-N 3.02Å; R405-M409 VanDerWaalsContact O-N 3.08Å
406E62.3Low76.5Confident108 Ų10882 Ų8251%0.50542%0.416SS..Hα-helixtrans-51.6-40.8-177.6-64.1-171.317800113.8K395 S408 M409K395-E406 IonicContact NZ-OE2 3.72Å; K395-E406 PolarHBondContact NZ-OE2 3.44Å; E406-S408 VanDerWaalsContact C-N 3.35Å; E406-M409 WeakPolarHBondContact O-CB 3.34Å; E406-M409 PolarHBondContact O-N 3.43Å
407T69.6Low76.5Confident115 Ų11575.7 Ų75.771%0.70639%0.387SS*.Hα-helixtrans-70.1-31.617849.40000112.7R405R405-T407 VanDerWaalsContact C-N 3.26Å; R405-T407 PolarHBondContact O-N 3.24Å; R405-T407 VanDerWaalsContact O-N 3.16Å
408S76Confident76.8Confident46 Ų4671.5 Ų71.532%0.32237%0.371SS..Hα-helixtrans-72.5-30.7176.2-57.10000112.1R405 E406 V410 H411 E412R405-S408 WeakPolarHBondContact O-CA 3.26Å; R405-S408 WeakPolarHBondContact O-CB 3.39Å; R405-S408 PolarHBondContact O-N 3.07Å; E406-S408 VanDerWaalsContact C-N 3.35Å; S408-V410 VanDerWaalsContact C-N 3.34Å; S408-V410 PolarHBondContact O-N 3.43Å; S408-H411 PolarHBondContact O-N 2.59Å; S408-E412 PolarHBondContact O-N 3.37Å
409M76.4Confident77.2Confident9 Ų970.2 Ų70.24%0.04437%0.371CS..Hα-helixtrans-59.2-44.3175.2-173.4-160.4-61.600111.7A391 L394 M399 M401 R405 E406 H411 E412 L413A391-M409 HydrophobicContact CB-SD 4.45Å; L394-M409 HydrophobicContact CB-SD 4.22Å; L394-M409 HydrophobicContact CD1-SD 4.04Å; M399-M409 WeakPolarHBondContact O-CE 3.39Å; M401-M409 HydrophobicContact CB-CG 4.27Å; M401-M409 HydrophobicContact CE-CG 4.34Å; R405-M409 PolarHBondContact O-N 3.02Å; R405-M409 VanDerWaalsContact O-N 3.08Å; E406-M409 WeakPolarHBondContact O-CB 3.34Å; E406-M409 PolarHBondContact O-N 3.43Å; M409-H411 VanDerWaalsContact C-N 3.31Å; M409-H411 PolarHBondContact O-N 2.83Å; M409-E412 PolarHBondContact O-N 2.95Å; M409-L413 HydrophobicContact CG-CD1 3.93Å; M409-L413 HydrophobicContact CG-CG 4.46Å; M409-L413 WeakPolarHBondContact O-CB 3.36Å; M409-L413 VanDerWaalsContact O-CG 3.31Å; M409-L413 WeakPolarHBondContact O-CG 3.42Å; M409-L413 PolarHBondContact O-N 2.97Å; M409-L413 HydrophobicContact SD-CD1 4.3Å
410V81.1Confident77.5Confident51 Ų5169.7 Ų69.731%0.30937%0.371SS..Hα-helixtrans-62.2-41.7177.2-178.60000110.6K388 A391 S408 N414K388-V410 HydrophobicContact CG-CG1 4.27Å; A391-V410 HydrophobicContact CB-CG2 3.62Å; S408-V410 VanDerWaalsContact C-N 3.34Å; S408-V410 PolarHBondContact O-N 3.43Å; V410-N414 WeakPolarHBondContact O-CB 3.27Å; V410-N414 PolarHBondContact O-N 3.14Å
411H84.6Confident77.9Confident145 Ų14567.4 Ų67.467%0.67136%0.357SS*.Hα-helixtrans-64.8-42.9180-172.175.6000111.9S408 M409 N414 R415S408-H411 PolarHBondContact O-N 2.59Å; M409-H411 VanDerWaalsContact C-N 3.31Å; M409-H411 PolarHBondContact O-N 2.83Å; H411-N414 PolarHBondContact O-N 3.46Å; H411-R415 PolarHBondContact O-N 3.24Å; H411-R415 VanDerWaalsContact O-N 3.13Å
412E82.1Confident78.5Confident44 Ų4468 Ų6821%0.20636%0.363CS..Hα-helixtrans-69.1-43.7179.1-164.5158.5-161.100111.8M401 H404 S408 M409 N414 R415 Y416M401-E412 HydrophobicContact SD-CB 4.4Å; M401-E412 HydrophobicContact SD-CG 4.21Å; H404-E412 IonicContact CD2-OE2 2.75Å; H404-E412 IonicContact CE1-OE1 3.78Å; H404-E412 IonicContact CE1-OE2 3Å; H404-E412 PolarHBondContact CE1-OE2 2.89Å; H404-E412 IonicContact CG-OE2 3.53Å; H404-E412 IonicContact ND1-OE2 2.97Å; H404-E412 PolarHBondContact ND1-OE2 3.26Å; H404-E412 IonicContact NE2-OE2 3.6Å; S408-E412 PolarHBondContact O-N 3.37Å; M409-E412 PolarHBondContact O-N 2.95Å; E412-N414 VanDerWaalsContact C-N 3.3Å; E412-N414 PolarHBondContact O-N 3.49Å; E412-R415 WeakPolarHBondContact O-CB 3.5Å; E412-R415 PolarHBondContact O-N 3.24Å; E412-R415 VanDerWaalsContact O-N 3.1Å; E412-Y416 HydrophobicContact CG-CD2 4.24Å; E412-Y416 HydrophobicContact CG-CE2 3.84Å; E412-Y416 WeakPolarHBondContact O-CD2 3.45Å; E412-Y416 PolarHBondContact O-N 3.01Å
413L82.7Confident79.6Confident0 Ų072.4 Ų72.40%038%0.375CS..Hα-helixtrans-60.5-38.7172.4-73.7171000112.1L265 I281 A387 V390 A391 L394 M401 M409 R415 Y416 I417L265-L413 HydrophobicContact CD1-CD2 3.95Å; I281-L413 HydrophobicContact CD1-CD2 4.22Å; A387-L413 HydrophobicContact CB-CB 4.03Å; V390-L413 HydrophobicContact CG1-CD1 4.4Å; A391-L413 HydrophobicContact CB-CD1 3.95Å; L394-L413 HydrophobicContact CD1-CD1 4.2Å; M401-L413 HydrophobicContact CE-CD2 4.43Å; M409-L413 HydrophobicContact CG-CD1 3.93Å; M409-L413 HydrophobicContact CG-CG 4.46Å; M409-L413 WeakPolarHBondContact O-CB 3.36Å; M409-L413 VanDerWaalsContact O-CG 3.31Å; M409-L413 WeakPolarHBondContact O-CG 3.42Å; M409-L413 PolarHBondContact O-N 2.97Å; M409-L413 HydrophobicContact SD-CD1 4.3Å; L413-R415 PolarHBondContact O-N 3.41Å; L413-Y416 PolarHBondContact O-N 3.45Å; L413-I417 HydrophobicContact CB-CD1 4.07Å; L413-I417 HydrophobicContact CD2-CD1 4.11Å; L413-I417 WeakPolarHBondContact O-CB 3.32Å; L413-I417 WeakPolarHBondContact O-CG1 3.37Å; L413-I417 PolarHBondContact O-N 3.38Å
414N86.3Confident80.4Confident93 Ų9368.3 Ų68.350%0.49733%0.333SS..Hα-helixtrans-71.2-17.5178-163.140.9000113.2A387 V410 H411 E412 P418A387-N414 HydrophobicContact CB-CB 3.9Å; V410-N414 WeakPolarHBondContact O-CB 3.27Å; V410-N414 PolarHBondContact O-N 3.14Å; H411-N414 PolarHBondContact O-N 3.46Å; E412-N414 VanDerWaalsContact C-N 3.3Å; E412-N414 PolarHBondContact O-N 3.49Å; N414-P418 WeakPolarHBondContact O-CD 3.42Å; N414-P418 WeakPolarHBondContact O-CG 3.29Å
415R84.8Confident81.1Confident179 Ų17964.5 Ų64.568%0.67532%0.316SS*.Hα-helixtrans-77.5-38.1171.4-173177.7178.8179.7-0.8111.6H411 E412 L413 T419H411-R415 PolarHBondContact O-N 3.24Å; H411-R415 VanDerWaalsContact O-N 3.13Å; E412-R415 WeakPolarHBondContact O-CB 3.5Å; E412-R415 PolarHBondContact O-N 3.24Å; E412-R415 VanDerWaalsContact O-N 3.1Å; L413-R415 PolarHBondContact O-N 3.41Å; R415-T419 VanDerWaalsContact O-CG2 3.29Å; R415-T419 WeakPolarHBondContact O-CG2 3.47Å; R415-T419 PolarHBondContact O-OG1 3.25Å
416Y85.8Confident82Confident77 Ų7758.4 Ų58.430%0.30230%0.298SS..Hα-helixtrans-91.7-41-175.2-67.7-68.5000114.2V263 L265 E412 L413 T419 A420V263-Y416 HydrophobicContact CG1-CD1 4.4Å; V263-Y416 HydrophobicContact CG1-CE1 4.42Å; L265-Y416 HydrophobicContact CD1-CD2 4.27Å; L265-Y416 HydrophobicContact CD2-CD2 4.08Å; L265-Y416 HydrophobicContact CD2-CE2 3.88Å; E412-Y416 HydrophobicContact CG-CD2 4.24Å; E412-Y416 HydrophobicContact CG-CE2 3.84Å; E412-Y416 WeakPolarHBondContact O-CD2 3.45Å; E412-Y416 PolarHBondContact O-N 3.01Å; L413-Y416 PolarHBondContact O-N 3.45Å; Y416-T419 WeakPolarHBondContact CA-OG1 3.45Å; Y416-T419 PolarHBondContact O-OG1 3.15Å; Y416-A420 WeakPolarHBondContact O-CB 3.44Å; Y416-A420 PolarHBondContact O-N 3.23Å
417I85.3Confident83.2Confident1 Ų154.3 Ų54.31%0.00528%0.281CS..Hα-helixtrans-67.1-53-172.1-70167.9000112.5I281 Y285 I380 A387 V390 L413 T419 A420 A421I281-I417 HydrophobicContact CD1-CG1 4.06Å; Y285-I417 HydrophobicContact CD1-CG2 4.01Å; Y285-I417 HydrophobicContact CE1-CG2 3.47Å; Y285-I417 VanDerWaalsContact CE1-CG2 3.47Å; Y285-I417 HydrophobicContact CE2-CG1 4.22Å; I380-I417 HydrophobicContact CD1-CG2 4.4Å; I380-I417 HydrophobicContact CG2-CG2 4.1Å; A387-I417 HydrophobicContact CB-CD1 3.99Å; V390-I417 HydrophobicContact CB-CD1 4.47Å; V390-I417 HydrophobicContact CG2-CD1 4.42Å; L413-I417 HydrophobicContact CB-CD1 4.07Å; L413-I417 HydrophobicContact CD2-CD1 4.11Å; L413-I417 WeakPolarHBondContact O-CB 3.32Å; L413-I417 WeakPolarHBondContact O-CG1 3.37Å; L413-I417 PolarHBondContact O-N 3.38Å; I417-T419 VanDerWaalsContact C-N 3.31Å; I417-T419 PolarHBondContact O-N 3.11Å; I417-A420 PolarHBondContact O-N 3.33Å; I417-A421 WeakPolarHBondContact O-CB 3.36Å; I417-A421 PolarHBondContact O-N 3.03Å
418P85.4Confident83.8Confident43 Ų4349.1 Ų49.128%0.27925%0.249SC..Hα-helixtrans-66.8-33.2-179-20.334.2000112.8N414 A422N414-P418 WeakPolarHBondContact O-CD 3.42Å; N414-P418 WeakPolarHBondContact O-CG 3.29Å; P418-A422 WeakPolarHBondContact O-CB 3.39Å; P418-A422 PolarHBondContact O-N 3.03Å
419T86.2Confident84.2Confident83 Ų8346.9 Ų46.951%0.50923%0.233SC..Hα-helixtrans-71.4-46.617752.70000110.8R415 Y416 I417 A421 A422 F423R415-T419 VanDerWaalsContact O-CG2 3.29Å; R415-T419 WeakPolarHBondContact O-CG2 3.47Å; R415-T419 PolarHBondContact O-OG1 3.25Å; Y416-T419 WeakPolarHBondContact CA-OG1 3.45Å; Y416-T419 PolarHBondContact O-OG1 3.15Å; I417-T419 VanDerWaalsContact C-N 3.31Å; I417-T419 PolarHBondContact O-N 3.11Å; T419-A421 VanDerWaalsContact C-N 3.33Å; T419-A421 PolarHBondContact O-N 2.68Å; T419-A422 PolarHBondContact O-N 2.58Å; T419-F423 WeakPolarHBondContact O-CB 3.25Å; T419-F423 PolarHBondContact O-N 2.9Å
420A84.2Confident84.8Confident16 Ų1647.9 Ų47.913%0.13225%0.245CC..Hα-helixtrans-59.8-42.6175.400000111.7I281 L283 Y416 I417 G424I281-A420 HydrophobicContact CG2-CB 4.16Å; L283-A420 VanDerWaalsContact O-O 3.13Å; Y416-A420 WeakPolarHBondContact O-CB 3.44Å; Y416-A420 PolarHBondContact O-N 3.23Å; I417-A420 PolarHBondContact O-N 3.33Å; A420-G424 WeakPolarHBondContact O-CA 3.06Å; A420-G424 PolarHBondContact O-N 3.08Å
421A82.6Confident85Confident0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-73.5-39-179.800000113.8Y285 T286 S376 I380 I417 T419 G425Y285-A421 HydrophobicContact CD1-CB 4.39Å; T286-A421 HydrophobicContact CG2-CB 4.07Å; S376-A421 WeakPolarHBondContact CB-O 3.08Å; S376-A421 PolarHBondContact OG-O 3.32Å; I380-A421 HydrophobicContact CD1-CB 3.01Å; I380-A421 HydrophobicContact CG1-CB 3.8Å; I417-A421 WeakPolarHBondContact O-CB 3.36Å; I417-A421 PolarHBondContact O-N 3.03Å; T419-A421 VanDerWaalsContact C-N 3.33Å; T419-A421 PolarHBondContact O-N 2.68Å; A421-G425 PolarHBondContact O-N 2.95Å
422A85.3Confident84.9Confident20 Ų2039.1 Ų39.117%0.16520%0.202CC..Hα-helixtrans-66.3-46.1176.600000111.1K377 P418 T419 L426K377-A422 HydrophobicContact CD-CB 4.43Å; K377-A422 HydrophobicContact CG-CB 4.23Å; P418-A422 WeakPolarHBondContact O-CB 3.39Å; P418-A422 PolarHBondContact O-N 3.03Å; T419-A422 PolarHBondContact O-N 2.58Å; A422-L426 WeakPolarHBondContact O-CB 3.37Å; A422-L426 PolarHBondContact O-N 3.47Å
423F86.8Confident85.1Confident117 Ų11737.3 Ų37.351%0.51319%0.194SC..Hα-helixtrans-69.5-40.4178.3-170.9-99.6000111.5L283 T419 L426 C427L283-F423 HydrophobicContact CD1-CD1 3.74Å; L283-F423 HydrophobicContact CD1-CE1 4.14Å; T419-F423 WeakPolarHBondContact O-CB 3.25Å; T419-F423 PolarHBondContact O-N 2.9Å; F423-L426 PolarHBondContact O-N 2.67Å; F423-C427 WeakPolarHBondContact CE1-SG 2.92Å; F423-C427 WeakPolarHBondContact O-CB 3.35Å; F423-C427 PolarHBondContact O-N 3.28Å; F423-C427 PolarHBondContact O-SG 2.82Å; F423-C427 VanDerWaalsContact O-SG 3.36Å
424G83.4Confident85.1Confident0 Ų040.4 Ų40.40%021%0.209CC..Hα-helixtrans-58.9-46.9173.400000112.3L283 A420 L426 C427 I428L283-G424 WeakPolarHBondContact O-CA 3.33Å; A420-G424 WeakPolarHBondContact O-CA 3.06Å; A420-G424 PolarHBondContact O-N 3.08Å; G424-L426 VanDerWaalsContact C-N 3.33Å; G424-L426 PolarHBondContact O-N 3.33Å; G424-C427 PolarHBondContact O-N 3.47Å; G424-I428 VanDerWaalsContact O-CB 3.29Å; G424-I428 WeakPolarHBondContact O-CB 3.43Å; G424-I428 WeakPolarHBondContact O-CG1 3.32Å; G424-I428 PolarHBondContact O-N 3.01Å
425G84.1Confident84.9Confident0 Ų036 Ų360%019%0.185CC..Hα-helixtrans-62-38.3174.700000113C372 A421 G429C372-G425 WeakPolarHBondContact CB-O 3.26Å; A421-G425 PolarHBondContact O-N 2.95Å; G425-G429 PolarHBondContact O-N 3.46Å
426L87.8Confident84.5Confident80 Ų8028.3 Ų28.342%0.41916%0.158SC..Hα-helixtrans-67-48.1175.5-167.4160.1000111.6L369 A422 F423 G424 I428 G429 G430L369-L426 HydrophobicContact CD2-CD2 3.83Å; L369-L426 HydrophobicContact CD2-CG 3.87Å; L369-L426 WeakPolarHBondContact CD2-O 3.41Å; A422-L426 WeakPolarHBondContact O-CB 3.37Å; A422-L426 PolarHBondContact O-N 3.47Å; F423-L426 PolarHBondContact O-N 2.67Å; G424-L426 VanDerWaalsContact C-N 3.33Å; G424-L426 PolarHBondContact O-N 3.33Å; L426-I428 VanDerWaalsContact C-N 3.31Å; L426-I428 PolarHBondContact O-N 3.15Å; L426-G429 PolarHBondContact O-N 3.43Å; L426-G430 PolarHBondContact O-N 2.91Å
427C86.2Confident84.1Confident21 Ų2126.6 Ų26.614%0.14215%0.152CC..Hα-helixtrans-59-44176.7-74.50000111.6F284 F423 G424 G430 L431F284-C427 HydrophobicContact CE1-CB 4.36Å; F423-C427 WeakPolarHBondContact CE1-SG 2.92Å; F423-C427 WeakPolarHBondContact O-CB 3.35Å; F423-C427 PolarHBondContact O-N 3.28Å; F423-C427 PolarHBondContact O-SG 2.82Å; F423-C427 VanDerWaalsContact O-SG 3.36Å; G424-C427 PolarHBondContact O-N 3.47Å; C427-G430 PolarHBondContact O-N 2.86Å; C427-L431 WeakPolarHBondContact O-CB 3.25Å; C427-L431 VanDerWaalsContact O-CG 3.26Å; C427-L431 WeakPolarHBondContact O-CG 3.39Å; C427-L431 PolarHBondContact O-N 3.48Å
428I83.8Confident83.6Confident6 Ų629.7 Ų29.73%0.03117%0.168CC..Hα-helixtrans-58.9-49.3175.1-78.2174.5000111.2F284 I291 G424 L426 G430 L431 S432F284-I428 HydrophobicContact CB-CD1 4.41Å; F284-I428 HydrophobicContact CD1-CD1 3.52Å; F284-I428 HydrophobicContact CD1-CG1 3.52Å; F284-I428 HydrophobicContact CE1-CD1 3.98Å; F284-I428 HydrophobicContact CE1-CG1 3.39Å; F284-I428 HydrophobicContact CG-CD1 4.07Å; F284-I428 HydrophobicContact CG-CG1 4.35Å; F284-I428 HydrophobicContact CZ-CG1 4.11Å; I291-I428 HydrophobicContact CD1-CB 4.41Å; I291-I428 HydrophobicContact CD1-CG2 3.03Å; I291-I428 HydrophobicContact CG1-CG2 3.1Å; G424-I428 VanDerWaalsContact O-CB 3.29Å; G424-I428 WeakPolarHBondContact O-CB 3.43Å; G424-I428 WeakPolarHBondContact O-CG1 3.32Å; G424-I428 PolarHBondContact O-N 3.01Å; L426-I428 VanDerWaalsContact C-N 3.31Å; L426-I428 PolarHBondContact O-N 3.15Å; I428-G430 VanDerWaalsContact C-N 3.32Å; I428-G430 PolarHBondContact O-N 2.93Å; I428-L431 PolarHBondContact O-N 3.1Å; I428-S432 PolarHBondContact O-N 3.39Å
429G84.4Confident83Confident0 Ų028.4 Ų28.40%016%0.163CC..Hα-helixtrans-60.8-43177.900000111.8G425 L426 S432 V433G425-G429 PolarHBondContact O-N 3.46Å; L426-G429 PolarHBondContact O-N 3.43Å; G429-S432 WeakPolarHBondContact O-CB 3.44Å; G429-S432 PolarHBondContact O-N 3.49Å; G429-V433 VanDerWaalsContact O-CG2 3.31Å; G429-V433 WeakPolarHBondContact O-CG2 3.02Å; G429-V433 PolarHBondContact O-N 3.36Å
430G87.3Confident82.3Confident29 Ų2925.1 Ų25.130%0.29914%0.144SC..Hα-helixtrans-63.7-41.7177.100000113.1L426 C427 I428 S432 V433 M434L426-G430 PolarHBondContact O-N 2.91Å; C427-G430 PolarHBondContact O-N 2.86Å; I428-G430 VanDerWaalsContact C-N 3.32Å; I428-G430 PolarHBondContact O-N 2.93Å; G430-S432 VanDerWaalsContact C-N 3.31Å; G430-S432 PolarHBondContact O-N 3.22Å; G430-V433 PolarHBondContact O-N 3.4Å; G430-M434 WeakPolarHBondContact O-CB 3.22Å; G430-M434 PolarHBondContact O-N 3.41Å
431L86.3Confident81.4Confident12 Ų1224.8 Ų24.86%0.06314%0.14CC..Hα-helixtrans-64.1-36.5174.7-72.3169.5000111.8V254 V255 F258 F284 C427 I428 M434 A435 L448V254-L431 HydrophobicContact CG1-CD2 3.67Å; V255-L431 HydrophobicContact CG2-CD1 4.33Å; F258-L431 HydrophobicContact CB-CD1 4.42Å; F258-L431 HydrophobicContact CD2-CD1 4.05Å; F258-L431 HydrophobicContact CD2-CD2 4.13Å; F258-L431 HydrophobicContact CE2-CD2 4.19Å; F258-L431 HydrophobicContact CG-CD1 4.39Å; F284-L431 HydrophobicContact CZ-CD1 4.34Å; C427-L431 WeakPolarHBondContact O-CB 3.25Å; C427-L431 VanDerWaalsContact O-CG 3.26Å; C427-L431 WeakPolarHBondContact O-CG 3.39Å; C427-L431 PolarHBondContact O-N 3.48Å; I428-L431 PolarHBondContact O-N 3.1Å; L431-M434 HydrophobicContact CD2-CE 3.82Å; L431-M434 PolarHBondContact O-N 2.86Å; L431-A435 WeakPolarHBondContact O-CB 3.49Å; L431-A435 PolarHBondContact O-N 3.48Å; L431-L448 HydrophobicContact CB-CD1 4.19Å; L431-L448 HydrophobicContact CB-CD2 4Å; L431-L448 HydrophobicContact CD1-CD2 4.4Å
432S83.2Confident80.4Confident0 Ų025.4 Ų25.40%015%0.146CC..Hα-helixtrans-65-50177.3-170.20000110.5I428 G429 G430 M434 A435 D436 T445I428-S432 PolarHBondContact O-N 3.39Å; G429-S432 WeakPolarHBondContact O-CB 3.44Å; G429-S432 PolarHBondContact O-N 3.49Å; G430-S432 VanDerWaalsContact C-N 3.31Å; G430-S432 PolarHBondContact O-N 3.22Å; S432-M434 VanDerWaalsContact C-N 3.29Å; S432-M434 PolarHBondContact O-N 3.28Å; S432-A435 WeakPolarHBondContact O-CB 3.3Å; S432-A435 PolarHBondContact O-N 3.13Å; S432-A435 VanDerWaalsContact O-N 3.07Å; S432-D436 VanDerWaalsContact O-CG 3.28Å; S432-D436 PolarHBondContact O-N 3.3Å; S432-D436 VanDerWaalsContact O-OD2 3.1Å; S432-T445 WeakPolarHBondContact OG-CG2 3.35Å; S432-T445 PolarHBondContact OG-N 2.81Å
433V84.4Confident79.7Confident7 Ų725.8 Ų25.84%0.04215%0.148CC..Hα-helixtrans-62.3-39.7179.8177.40000111.2Y364 I365 M368 G429 G430 A435 D436 F437Y364-V433 HydrophobicContact CD1-CG1 4.3Å; Y364-V433 HydrophobicContact CD1-CG2 4.39Å; Y364-V433 HydrophobicContact CE1-CB 4.39Å; Y364-V433 HydrophobicContact CE1-CG1 4.06Å; Y364-V433 HydrophobicContact CE1-CG2 3.78Å; I365-V433 HydrophobicContact CG1-CG1 3.75Å; M368-V433 HydrophobicContact CB-CG2 3.73Å; M368-V433 HydrophobicContact CG-CG2 4.03Å; G429-V433 VanDerWaalsContact O-CG2 3.31Å; G429-V433 WeakPolarHBondContact O-CG2 3.02Å; G429-V433 PolarHBondContact O-N 3.36Å; G430-V433 PolarHBondContact O-N 3.4Å; V433-A435 VanDerWaalsContact C-N 3.34Å; V433-A435 PolarHBondContact O-N 3.05Å; V433-D436 PolarHBondContact O-N 2.9Å; V433-F437 HydrophobicContact CG1-CD1 4.27Å; V433-F437 HydrophobicContact CG1-CD2 3.89Å; V433-F437 HydrophobicContact CG1-CE1 3.74Å; V433-F437 HydrophobicContact CG1-CE2 3.34Å; V433-F437 HydrophobicContact CG1-CG 4.34Å; V433-F437 HydrophobicContact CG1-CZ 3.26Å; V433-F437 WeakPolarHBondContact O-CB 3.29Å; V433-F437 WeakPolarHBondContact O-CG 3.31Å; V433-F437 PolarHBondContact O-N 2.83Å
434M83.3Confident79Confident64 Ų6420.2 Ų20.232%0.31512%0.124SC..Hα-helixtrans-61.9-41.5174-173.9-178.173.800111.9V254 G430 L431 S432 F437 L438V254-M434 HydrophobicContact CG1-CE 4.34Å; G430-M434 WeakPolarHBondContact O-CB 3.22Å; G430-M434 PolarHBondContact O-N 3.41Å; L431-M434 HydrophobicContact CD2-CE 3.82Å; L431-M434 PolarHBondContact O-N 2.86Å; S432-M434 VanDerWaalsContact C-N 3.29Å; S432-M434 PolarHBondContact O-N 3.28Å; M434-F437 PolarHBondContact O-N 3.07Å; M434-L438 HydrophobicContact CG-CD1 4.11Å; M434-L438 WeakPolarHBondContact O-CB 3.26Å; M434-L438 VanDerWaalsContact O-CG 3.26Å; M434-L438 WeakPolarHBondContact O-CG 3.35Å; M434-L438 PolarHBondContact O-N 3.14Å; M434-L438 VanDerWaalsContact O-N 3.07Å
435A81.7Confident78.7Confident0 Ų021 Ų210%013%0.128CC..Hα-helixtrans-67.8-38.317800000112.3V251 L431 S432 V433 G439 A440 G444V251-A435 HydrophobicContact CB-CB 4.47Å; V251-A435 HydrophobicContact CG1-CB 3.8Å; V251-A435 HydrophobicContact CG2-CB 3.9Å; L431-A435 WeakPolarHBondContact O-CB 3.49Å; L431-A435 PolarHBondContact O-N 3.48Å; S432-A435 WeakPolarHBondContact O-CB 3.3Å; S432-A435 PolarHBondContact O-N 3.13Å; S432-A435 VanDerWaalsContact O-N 3.07Å; V433-A435 VanDerWaalsContact C-N 3.34Å; V433-A435 PolarHBondContact O-N 3.05Å; A435-G439 PolarHBondContact O-N 3.26Å; A435-A440 HydrophobicContact CB-CB 4.38Å; A435-A440 WeakPolarHBondContact O-CB 3.32Å; A435-A440 PolarHBondContact O-N 3.37Å; A435-A440 VanDerWaalsContact O-N 3.08Å; A435-G444 VanDerWaalsContact CB-CA 3.48Å
436D78.2Confident78.3Confident19 Ų1921 Ų2110%0.10213%0.128CC..Hα-helixtrans-65.5-43.9175.4-65.3-36.5000110.8P347 Y364 S432 V433 L438 G439 G444P347-D436 HydrophobicContact CB-CB 4.34Å; Y364-D436 PolarHBondContact OH-OD2 3.2Å; S432-D436 VanDerWaalsContact O-CG 3.28Å; S432-D436 PolarHBondContact O-N 3.3Å; S432-D436 VanDerWaalsContact O-OD2 3.1Å; V433-D436 PolarHBondContact O-N 2.9Å; D436-L438 PolarHBondContact O-N 3.28Å; D436-G439 PolarHBondContact O-N 2.97Å; D436-G444 VanDerWaalsContact OD1-CA 3.26Å; D436-G444 WeakPolarHBondContact OD1-CA 3.4Å; D436-G444 PolarHBondContact OD1-N 3.4Å
437F76.6Confident77.9Confident40 Ų4017.3 Ų17.318%0.17511%0.109CC..Hα-helixtrans-66.7-32.9178-67.7-12.6000114.3P348 V354 A361 Y364 I365 V433 M434 G439P348-F437 HydrophobicContact CG-CD1 3.88Å; P348-F437 HydrophobicContact CG-CE1 3.43Å; P348-F437 VanDerWaalsContact CG-CE1 3.43Å; V354-F437 HydrophobicContact CG2-CD1 4.02Å; V354-F437 HydrophobicContact CG2-CE1 4.08Å; A361-F437 HydrophobicContact CB-CZ 4.49Å; Y364-F437 HydrophobicContact CD1-CE1 4.35Å; I365-F437 HydrophobicContact CD1-CE2 3.84Å; I365-F437 HydrophobicContact CD1-CZ 3.8Å; I365-F437 HydrophobicContact CG1-CE2 4.03Å; I365-F437 HydrophobicContact CG1-CZ 3.74Å; V433-F437 HydrophobicContact CG1-CD1 4.27Å; V433-F437 HydrophobicContact CG1-CD2 3.89Å; V433-F437 HydrophobicContact CG1-CE1 3.74Å; V433-F437 HydrophobicContact CG1-CE2 3.34Å; V433-F437 HydrophobicContact CG1-CG 4.34Å; V433-F437 HydrophobicContact CG1-CZ 3.26Å; V433-F437 WeakPolarHBondContact O-CB 3.29Å; V433-F437 WeakPolarHBondContact O-CG 3.31Å; V433-F437 PolarHBondContact O-N 2.83Å; M434-F437 PolarHBondContact O-N 3.07Å; F437-G439 PolarHBondContact O-N 3.16Å
438L75.4Confident77.6Confident66 Ų6616.4 Ų16.435%0.34610%0.103SC..THydrogen-bonded Turntrans-76-4.3175-69.9171.7000112.6A247 F250 V251 M434 D436A247-L438 HydrophobicContact CB-CB 3.93Å; F250-L438 HydrophobicContact CD1-CD1 4.29Å; V251-L438 HydrophobicContact CG2-CD1 4.05Å; M434-L438 HydrophobicContact CG-CD1 4.11Å; M434-L438 WeakPolarHBondContact O-CB 3.26Å; M434-L438 VanDerWaalsContact O-CG 3.26Å; M434-L438 WeakPolarHBondContact O-CG 3.35Å; M434-L438 PolarHBondContact O-N 3.14Å; M434-L438 VanDerWaalsContact O-N 3.07Å; D436-L438 PolarHBondContact O-N 3.28Å
439G71.1Confident77.5Confident17 Ų1716.3 Ų16.318%0.17510%0.102CC..THydrogen-bonded Turntrans68.633.4-179.300000112.9N244 A435 D436 F437N244-G439 WeakPolarHBondContact CB-O 3.42Å; N244-G439 PolarHBondContact ND2-O 3.32Å; A435-G439 PolarHBondContact O-N 3.26Å; D436-G439 PolarHBondContact O-N 2.97Å; F437-G439 PolarHBondContact O-N 3.16Å
440A71.5Confident77.5Confident13 Ų1316.5 Ų16.511%0.10710%0.104CC..  trans-60.4143.9-177.300000112.2A435 G442 I447A435-A440 HydrophobicContact CB-CB 4.38Å; A435-A440 WeakPolarHBondContact O-CB 3.32Å; A435-A440 PolarHBondContact O-N 3.37Å; A435-A440 VanDerWaalsContact O-N 3.08Å; A440-G442 PolarHBondContact O-N 3.15Å; A440-I447 HydrophobicContact CB-CD1 3.45Å; A440-I447 VanDerWaalsContact CB-CD1 3.45Å
441I66.8Low77.4Confident10 Ų1015.4 Ų15.45%0.0519%0.091CC..THydrogen-bonded Turntrans-76.4117.7-173.9-57179.9000109.2K194 P240 N244 L245 T248 I447K194-I441 HydrophobicContact CB-CG2 3.49Å; K194-I441 VanDerWaalsContact CB-CG2 3.49Å; K194-I441 HydrophobicContact CD-CG2 3.48Å; K194-I441 VanDerWaalsContact CD-CG2 3.48Å; K194-I441 HydrophobicContact CG-CG2 4.09Å; P240-I441 HydrophobicContact CB-CD1 4.41Å; N244-I441 HydrophobicContact CB-CD1 4.08Å; N244-I441 HydrophobicContact CB-CG1 3.63Å; L245-I441 HydrophobicContact CB-CD1 3.93Å; T248-I441 PolarHBondContact OG1-N 3.3Å; I441-I447 WeakPolarHBondContact O-CD1 3.4Å
442G60.2Low77.1Confident12 Ų1215 Ų1512%0.1249%0.09CC..THydrogen-bonded Turntrans106.120.5174.300000115.9A440A440-G442 PolarHBondContact O-N 3.15Å
443S72.1Confident77.2Confident29 Ų2915.3 Ų15.320%0.2039%0.091CC..  trans67.8133.7-173.1-1700000112T445 G446 I447S443-T445 PolarHBondContact O-N 3.42Å; S443-T445 PolarHBondContact OG-OG1 2.91Å; S443-G446 PolarHBondContact O-N 3.16Å; S443-I447 PolarHBondContact O-N 3.32Å
444G71.2Confident77.2Confident0 Ų018.7 Ų18.70%011%0.108CC..Hα-helixtrans-57.7-39.4178.600000112.2A435 D436 L448A435-G444 VanDerWaalsContact CB-CA 3.48Å; D436-G444 VanDerWaalsContact OD1-CA 3.26Å; D436-G444 WeakPolarHBondContact OD1-CA 3.4Å; D436-G444 PolarHBondContact OD1-N 3.4Å; G444-L448 WeakPolarHBondContact O-CD1 3.29Å; G444-L448 WeakPolarHBondContact O-CG 3.39Å; G444-L448 PolarHBondContact O-N 2.87Å
445T76.7Confident77.2Confident15 Ų1518.6 Ų18.69%0.09211%0.105CC..Hα-helixtrans-60.1-46.1172.853.30000112.5I291 S432 S443 L448 L449I291-T445 HydrophobicContact CG2-CG2 4.17Å; S432-T445 WeakPolarHBondContact OG-CG2 3.35Å; S432-T445 PolarHBondContact OG-N 2.81Å; S443-T445 PolarHBondContact O-N 3.42Å; S443-T445 PolarHBondContact OG-OG1 2.91Å; T445-L448 PolarHBondContact O-N 2.91Å; T445-L449 VanDerWaalsContact O-CG 3.25Å; T445-L449 WeakPolarHBondContact O-CG 3.31Å; T445-L449 PolarHBondContact O-N 3.01Å; T445-L449 VanDerWaalsContact O-N 3.1Å
446G75.8Confident77.2Confident1 Ų121.2 Ų21.21%0.0112%0.117CC..Hα-helixtrans-63.1-49.7-179.100000111.8I187 S443 L448 L449 A450I187-G446 WeakPolarHBondContact CD1-O 3.46Å; S443-G446 PolarHBondContact O-N 3.16Å; G446-L448 VanDerWaalsContact C-N 3.32Å; G446-L448 PolarHBondContact O-N 2.66Å; G446-L449 PolarHBondContact O-N 2.87Å; G446-L449 VanDerWaalsContact O-N 3.16Å; G446-A450 PolarHBondContact O-N 3.49Å
447I79.7Confident77.2Confident2 Ų221.8 Ų21.81%0.0112%0.118CC..Hα-helixtrans-56.9-48179.4-62.6157.1000110.5I191 T248 V251 A440 I441 S443 L449 A450 V451I191-I447 HydrophobicContact CD1-CG1 4.23Å; T248-I447 HydrophobicContact CG2-CD1 3.85Å; T248-I447 HydrophobicContact CG2-CG1 4.27Å; V251-I447 HydrophobicContact CG1-CG2 4.43Å; A440-I447 HydrophobicContact CB-CD1 3.45Å; A440-I447 VanDerWaalsContact CB-CD1 3.45Å; I441-I447 WeakPolarHBondContact O-CD1 3.4Å; S443-I447 PolarHBondContact O-N 3.32Å; I447-L449 VanDerWaalsContact C-N 3.32Å; I447-L449 PolarHBondContact O-N 3.42Å; I447-A450 PolarHBondContact O-N 3.4Å; I447-V451 HydrophobicContact CG2-CG2 4.1Å; I447-V451 WeakPolarHBondContact O-CG2 3.39Å; I447-V451 PolarHBondContact O-N 2.71Å
448L80.7Confident77.6Confident2 Ų225.6 Ų25.61%0.0114%0.135CC..Hα-helixtrans-57.1-44.3178.1-83.4164.1000112.9V255 I291 L431 G444 T445 G446 T452V255-L448 HydrophobicContact CB-CD2 4.28Å; V255-L448 HydrophobicContact CG1-CD2 3.87Å; V255-L448 HydrophobicContact CG2-CD2 3.32Å; V255-L448 HydrophobicContact CG2-CG 4.31Å; I291-L448 HydrophobicContact CD1-CB 4.45Å; L431-L448 HydrophobicContact CB-CD1 4.19Å; L431-L448 HydrophobicContact CB-CD2 4Å; L431-L448 HydrophobicContact CD1-CD2 4.4Å; G444-L448 WeakPolarHBondContact O-CD1 3.29Å; G444-L448 WeakPolarHBondContact O-CG 3.39Å; G444-L448 PolarHBondContact O-N 2.87Å; T445-L448 PolarHBondContact O-N 2.91Å; G446-L448 VanDerWaalsContact C-N 3.32Å; G446-L448 PolarHBondContact O-N 2.66Å; L448-T452 VanDerWaalsContact O-CB 3.27Å; L448-T452 WeakPolarHBondContact O-CB 3.39Å; L448-T452 PolarHBondContact O-N 3.48Å; L448-T452 PolarHBondContact O-OG1 3.46Å
449L81.2Confident77.7Confident4 Ų425.6 Ų25.62%0.02113%0.133CC..Hα-helixtrans-61.4-49.2177.2-69.1175.6000110.6I187 N288 I291 I292 T445 G446 I447 T452 I453I187-L449 HydrophobicContact CD1-CB 4.42Å; N288-L449 HydrophobicContact CB-CD2 3.57Å; N288-L449 PolarHBondContact ND2-O 3.08Å; I291-L449 HydrophobicContact CB-CD2 4.33Å; I291-L449 HydrophobicContact CD1-CD2 4.31Å; I292-L449 HydrophobicContact CD1-CD2 4.04Å; I292-L449 HydrophobicContact CG1-CD1 4.09Å; I292-L449 HydrophobicContact CG1-CD2 3.57Å; T445-L449 VanDerWaalsContact O-CG 3.25Å; T445-L449 WeakPolarHBondContact O-CG 3.31Å; T445-L449 PolarHBondContact O-N 3.01Å; T445-L449 VanDerWaalsContact O-N 3.1Å; G446-L449 PolarHBondContact O-N 2.87Å; G446-L449 VanDerWaalsContact O-N 3.16Å; I447-L449 VanDerWaalsContact C-N 3.32Å; I447-L449 PolarHBondContact O-N 3.42Å; L449-T452 PolarHBondContact O-N 3.23Å; L449-I453 WeakPolarHBondContact O-CB 3.44Å; L449-I453 VanDerWaalsContact O-CD1 3.32Å; L449-I453 WeakPolarHBondContact O-CD1 3.28Å; L449-I453 WeakPolarHBondContact O-CG1 3.3Å; L449-I453 PolarHBondContact O-N 2.99Å
450A83.9Confident78Confident5 Ų527.9 Ų27.94%0.04114%0.141CC..Hα-helixtrans-60.8-48.8-179.700000112.2I187 G446 I447 T452 I453 I454I187-A450 HydrophobicContact CB-CB 4.11Å; I187-A450 HydrophobicContact CD1-CB 4.3Å; I187-A450 HydrophobicContact CG2-CB 3.77Å; G446-A450 PolarHBondContact O-N 3.49Å; I447-A450 PolarHBondContact O-N 3.4Å; A450-T452 VanDerWaalsContact C-N 3.34Å; A450-T452 PolarHBondContact O-N 3.16Å; A450-I453 PolarHBondContact O-N 2.69Å; A450-I454 WeakPolarHBondContact O-CB 3.41Å; A450-I454 VanDerWaalsContact O-CG1 3.24Å; A450-I454 WeakPolarHBondContact O-CG1 3.31Å; A450-I454 PolarHBondContact O-N 2.87Å
451V84.8Confident78.4Confident5 Ų531 Ų313%0.0315%0.152CC..Hα-helixtrans-58.6-48.7178.2-177.30000110.6F252 V255 I256 I447 I453 I454 Y455F252-V451 HydrophobicContact CD2-CB 4.34Å; F252-V451 HydrophobicContact CD2-CG1 4.39Å; F252-V451 HydrophobicContact CD2-CG2 3.18Å; F252-V451 HydrophobicContact CE2-CB 4.25Å; F252-V451 HydrophobicContact CE2-CG1 4.2Å; F252-V451 HydrophobicContact CE2-CG2 3.45Å; F252-V451 VanDerWaalsContact CE2-CG2 3.45Å; F252-V451 HydrophobicContact CG-CG2 4.1Å; V255-V451 HydrophobicContact CB-CG1 4.14Å; V255-V451 HydrophobicContact CG1-CB 3.9Å; V255-V451 HydrophobicContact CG1-CG1 3.63Å; V255-V451 HydrophobicContact CG1-CG2 4.47Å; I256-V451 HydrophobicContact CD1-CG1 4.45Å; I256-V451 HydrophobicContact CG1-CG1 3.69Å; I447-V451 HydrophobicContact CG2-CG2 4.1Å; I447-V451 WeakPolarHBondContact O-CG2 3.39Å; I447-V451 PolarHBondContact O-N 2.71Å; V451-I453 VanDerWaalsContact C-N 3.34Å; V451-I453 PolarHBondContact O-N 3.13Å; V451-I454 PolarHBondContact O-N 2.85Å; V451-Y455 WeakPolarHBondContact O-CB 3.41Å; V451-Y455 PolarHBondContact O-N 3.36Å
452T81.4Confident79Confident4 Ų433.5 Ų33.53%0.02517%0.167CC..Hα-helixtrans-67.4-37.8-174.4-57.40000111.5Q259 N288 L448 L449 A450 Q456Q259-T452 PolarHBondContact NE2-O 3.02Å; N288-T452 VanDerWaalsContact CG-CG2 3.41Å; N288-T452 VanDerWaalsContact ND2-CB 3.28Å; N288-T452 WeakPolarHBondContact ND2-CB 3.41Å; N288-T452 WeakPolarHBondContact ND2-CG2 3.42Å; N288-T452 WeakPolarHBondContact OD1-CB 3.45Å; N288-T452 WeakPolarHBondContact OD1-CG2 3.18Å; N288-T452 PolarHBondContact OD1-OG1 3.37Å; L448-T452 VanDerWaalsContact O-CB 3.27Å; L448-T452 WeakPolarHBondContact O-CB 3.39Å; L448-T452 PolarHBondContact O-N 3.48Å; L448-T452 PolarHBondContact O-OG1 3.46Å; L449-T452 PolarHBondContact O-N 3.23Å; A450-T452 VanDerWaalsContact C-N 3.34Å; A450-T452 PolarHBondContact O-N 3.16Å; T452-Q456 WeakPolarHBondContact O-CB 3.3Å; T452-Q456 VanDerWaalsContact O-CG 3.25Å; T452-Q456 WeakPolarHBondContact O-CG 3.34Å; T452-Q456 PolarHBondContact O-N 3.13Å
453I83.5Confident79.9Confident7 Ų739.1 Ų39.14%0.03619%0.189CC..Hα-helixtrans-63.8-51.1174-68.8162.9000109.9I183 A184 L449 A450 V451 Y455 Q456 Y457I183-I453 HydrophobicContact CG2-CD1 4.42Å; A184-I453 HydrophobicContact CB-CB 4.2Å; A184-I453 HydrophobicContact CB-CD1 4.32Å; A184-I453 HydrophobicContact CB-CG2 3.87Å; L449-I453 WeakPolarHBondContact O-CB 3.44Å; L449-I453 VanDerWaalsContact O-CD1 3.32Å; L449-I453 WeakPolarHBondContact O-CD1 3.28Å; L449-I453 WeakPolarHBondContact O-CG1 3.3Å; L449-I453 PolarHBondContact O-N 2.99Å; A450-I453 PolarHBondContact O-N 2.69Å; V451-I453 VanDerWaalsContact C-N 3.34Å; V451-I453 PolarHBondContact O-N 3.13Å; I453-Y455 VanDerWaalsContact C-N 3.27Å; I453-Y455 PolarHBondContact O-N 3.42Å; I453-Q456 WeakPolarHBondContact O-CB 3.49Å; I453-Q456 PolarHBondContact O-N 3.37Å; I453-Q456 VanDerWaalsContact O-N 3.13Å; I453-Y457 HydrophobicContact CG2-CD2 3.71Å; I453-Y457 HydrophobicContact CG2-CE2 3.83Å; I453-Y457 VanDerWaalsContact O-CD2 3.31Å; I453-Y457 WeakPolarHBondContact O-CD2 3.18Å; I453-Y457 PolarHBondContact O-N 3.08Å
454I86.1Confident80Confident78 Ų7840.1 Ų40.140%0.419%0.19SC..Hα-helixtrans-58.5-41.6-179.9-68.4167000110.9A450 V451 Y457 F458A450-I454 WeakPolarHBondContact O-CB 3.41Å; A450-I454 VanDerWaalsContact O-CG1 3.24Å; A450-I454 WeakPolarHBondContact O-CG1 3.31Å; A450-I454 PolarHBondContact O-N 2.87Å; V451-I454 PolarHBondContact O-N 2.85Å; I454-Y457 WeakPolarHBondContact O-CB 3.25Å; I454-Y457 PolarHBondContact O-N 3.05Å; I454-F458 WeakPolarHBondContact O-CB 3.35Å; I454-F458 PolarHBondContact O-N 2.93Å
455Y83.5Confident80Confident61 Ų6145.3 Ų45.324%0.23921%0.214CC..Hα-helixtrans-66.4-41.3177.4-172.8-80.8000112.3Q259 V451 I453 Y457 F458 E459Q259-Y455 VanDerWaalsContact CD-CD1 3.42Å; Q259-Y455 VanDerWaalsContact CD-CG 3.48Å; Q259-Y455 HydrophobicContact CG-CD1 3.52Å; Q259-Y455 HydrophobicContact CG-CD2 4.39Å; Q259-Y455 HydrophobicContact CG-CE1 3.73Å; Q259-Y455 HydrophobicContact CG-CG 3.87Å; V451-Y455 WeakPolarHBondContact O-CB 3.41Å; V451-Y455 PolarHBondContact O-N 3.36Å; I453-Y455 VanDerWaalsContact C-N 3.27Å; I453-Y455 PolarHBondContact O-N 3.42Å; Y455-Y457 VanDerWaalsContact C-N 3.28Å; Y455-Y457 PolarHBondContact O-N 3.34Å; Y455-F458 WeakPolarHBondContact O-CB 3.22Å; Y455-F458 PolarHBondContact O-N 3.45Å; Y455-E459 PolarHBondContact O-N 3.27Å
456Q79.8Confident79.8Confident56 Ų5647.9 Ų47.926%0.26223%0.233SC..Hα-helixtrans-58.8-43173.2-76.2176.3-15.600111.4S287 T452 I453 E459 I460S287-Q456 PolarHBondContact OG-NE2 3.41Å; T452-Q456 WeakPolarHBondContact O-CB 3.3Å; T452-Q456 VanDerWaalsContact O-CG 3.25Å; T452-Q456 WeakPolarHBondContact O-CG 3.34Å; T452-Q456 PolarHBondContact O-N 3.13Å; I453-Q456 WeakPolarHBondContact O-CB 3.49Å; I453-Q456 PolarHBondContact O-N 3.37Å; I453-Q456 VanDerWaalsContact O-N 3.13Å; Q456-E459 PolarHBondContact O-N 2.81Å; Q456-I460 VanDerWaalsContact O-CG1 3.3Å; Q456-I460 WeakPolarHBondContact O-CG1 3.33Å; Q456-I460 PolarHBondContact O-N 3.05Å
457Y80.2Confident79.3Confident31 Ų3153.2 Ų53.212%0.12226%0.257CS..Hα-helixtrans-62.6-44174.8-94.7-89.6000112.7L175 G176 S177 L181 I453 I454 Y455 E459 I460 F461L175-Y457 VanDerWaalsContact C-CE1 3.43Å; L175-Y457 HydrophobicContact CB-CD1 4.1Å; L175-Y457 HydrophobicContact CB-CE1 3.86Å; L175-Y457 WeakPolarHBondContact O-CE1 3.46Å; L175-Y457 VanDerWaalsContact O-CZ 3.32Å; L175-Y457 PolarHBondContact O-OH 3.34Å; G176-Y457 WeakPolarHBondContact CA-OH 3.34Å; S177-Y457 PolarHBondContact N-OH 3.2Å; S177-Y457 PolarHBondContact O-OH 2.9Å; L181-Y457 HydrophobicContact CD1-CE1 4.3Å; L181-Y457 HydrophobicContact CD1-CE2 4.49Å; I453-Y457 HydrophobicContact CG2-CD2 3.71Å; I453-Y457 HydrophobicContact CG2-CE2 3.83Å; I453-Y457 VanDerWaalsContact O-CD2 3.31Å; I453-Y457 WeakPolarHBondContact O-CD2 3.18Å; I453-Y457 PolarHBondContact O-N 3.08Å; I454-Y457 WeakPolarHBondContact O-CB 3.25Å; I454-Y457 PolarHBondContact O-N 3.05Å; Y455-Y457 VanDerWaalsContact C-N 3.28Å; Y455-Y457 PolarHBondContact O-N 3.34Å; Y457-E459 VanDerWaalsContact C-N 3.3Å; Y457-E459 PolarHBondContact O-N 2.96Å; Y457-I460 PolarHBondContact O-N 3.47Å; Y457-F461 VanDerWaalsContact O-CB 3.29Å; Y457-F461 WeakPolarHBondContact O-CB 3.47Å; Y457-F461 PolarHBondContact O-N 3.48Å
458F83Confident78.4Confident120 Ų12057.9 Ų57.953%0.52628%0.28SS..Hα-helixtrans-60.4-40.1175.3174.7-101.1000111.7I454 Y455 F461 V462I454-F458 WeakPolarHBondContact O-CB 3.35Å; I454-F458 PolarHBondContact O-N 2.93Å; Y455-F458 WeakPolarHBondContact O-CB 3.22Å; Y455-F458 PolarHBondContact O-N 3.45Å; F458-F461 WeakPolarHBondContact O-CB 3.33Å; F458-F461 PolarHBondContact O-N 3.34Å; F458-V462 HydrophobicContact CD1-CG2 4.28Å; F458-V462 HydrophobicContact CD2-CG2 4.33Å; F458-V462 HydrophobicContact CE1-CG2 3.81Å; F458-V462 HydrophobicContact CE2-CG2 3.87Å; F458-V462 HydrophobicContact CZ-CG2 3.59Å; F458-V462 VanDerWaalsContact O-CG2 3.31Å; F458-V462 WeakPolarHBondContact O-CG2 3.42Å; F458-V462 PolarHBondContact O-N 3.22Å
459E79.1Confident77.1Confident65 Ų6560.2 Ų60.230%0.30431%0.305SS..Hα-helixtrans-69.5-39.4178-166.6179.6156.600112.5K282 Y455 Q456 Y457 F461 V462 K463K282-E459 WeakPolarHBondContact CE-OE1 3.35Å; K282-E459 WeakPolarHBondContact CE-OE2 3.04Å; K282-E459 IonicContact NZ-OE1 3.87Å; K282-E459 PolarHBondContact NZ-OE1 2.96Å; K282-E459 IonicContact NZ-OE2 2.9Å; K282-E459 PolarHBondContact NZ-OE2 3.16Å; Y455-E459 PolarHBondContact O-N 3.27Å; Q456-E459 PolarHBondContact O-N 2.81Å; Y457-E459 VanDerWaalsContact C-N 3.3Å; Y457-E459 PolarHBondContact O-N 2.96Å; E459-F461 VanDerWaalsContact C-N 3.3Å; E459-F461 PolarHBondContact O-N 3.2Å; E459-V462 PolarHBondContact O-N 3Å; E459-K463 VanDerWaalsContact O-CB 3.27Å; E459-K463 WeakPolarHBondContact O-CB 3.37Å; E459-K463 PolarHBondContact O-N 3.36Å
460I77.8Confident75.5Confident66 Ų6663.3 Ų63.334%0.33833%0.327SS..Hα-helixtrans-60.6-44.5171.9-67.2165000109.8Q456 Y457 K463 E464Q456-I460 VanDerWaalsContact O-CG1 3.3Å; Q456-I460 WeakPolarHBondContact O-CG1 3.33Å; Q456-I460 PolarHBondContact O-N 3.05Å; Y457-I460 PolarHBondContact O-N 3.47Å; I460-K463 PolarHBondContact O-N 3.4Å; I460-E464 HydrophobicContact CG2-CG 4.45Å; I460-E464 PolarHBondContact O-N 2.88Å
461F78.2Confident73.4Confident77 Ų7769.2 Ų69.234%0.33836%0.355SS..Hα-helixtrans-57.5-52176.8-176.1-71.1000111.3F28 V32 Y457 F458 E459 K463 E464 Q465F28-F461 HydrophobicContact CE1-CD2 4.04Å; F28-F461 HydrophobicContact CE1-CE1 4.43Å; F28-F461 AromaticContact CE1-CE2 3.47Å; F28-F461 HydrophobicContact CE1-CE2 3.47Å; F28-F461 VanDerWaalsContact CE1-CE2 3.47Å; F28-F461 AromaticContact CE1-CZ 3.68Å; F28-F461 HydrophobicContact CE1-CZ 3.68Å; F28-F461 HydrophobicContact CE2-CD2 4.24Å; F28-F461 HydrophobicContact CE2-CE2 4.49Å; F28-F461 HydrophobicContact CE2-CG 4.48Å; F28-F461 HydrophobicContact CZ-CD1 4.33Å; F28-F461 AromaticContact CZ-CD2 3.3Å; F28-F461 HydrophobicContact CZ-CD2 3.3Å; F28-F461 HydrophobicContact CZ-CE1 4.31Å; F28-F461 AromaticContact CZ-CE2 3.24Å; F28-F461 HydrophobicContact CZ-CE2 3.24Å; F28-F461 AromaticContact CZ-CG 3.8Å; F28-F461 HydrophobicContact CZ-CG 3.8Å; F28-F461 AromaticContact CZ-CZ 3.78Å; F28-F461 HydrophobicContact CZ-CZ 3.78Å; V32-F461 HydrophobicContact CG2-CE2 4.48Å; Y457-F461 VanDerWaalsContact O-CB 3.29Å; Y457-F461 WeakPolarHBondContact O-CB 3.47Å; Y457-F461 PolarHBondContact O-N 3.48Å; F458-F461 WeakPolarHBondContact O-CB 3.33Å; F458-F461 PolarHBondContact O-N 3.34Å; E459-F461 VanDerWaalsContact C-N 3.3Å; E459-F461 PolarHBondContact O-N 3.2Å; F461-K463 VanDerWaalsContact C-N 3.32Å; F461-K463 PolarHBondContact O-N 3.37Å; F461-E464 PolarHBondContact O-N 2.86Å; F461-Q465 VanDerWaalsContact CE1-OE1 3.29Å; F461-Q465 VanDerWaalsContact O-CB 3.28Å; F461-Q465 WeakPolarHBondContact O-CB 3.38Å; F461-Q465 PolarHBondContact O-N 3.02Å
462V80.6Confident71.1Confident63 Ų6370.7 Ų70.738%0.38237%0.372SS..Hα-helixtrans-63.2-40.3179.6170.50000111F458 E459 Q465 S466F458-V462 HydrophobicContact CD1-CG2 4.28Å; F458-V462 HydrophobicContact CD2-CG2 4.33Å; F458-V462 HydrophobicContact CE1-CG2 3.81Å; F458-V462 HydrophobicContact CE2-CG2 3.87Å; F458-V462 HydrophobicContact CZ-CG2 3.59Å; F458-V462 VanDerWaalsContact O-CG2 3.31Å; F458-V462 WeakPolarHBondContact O-CG2 3.42Å; F458-V462 PolarHBondContact O-N 3.22Å; E459-V462 PolarHBondContact O-N 3Å; V462-Q465 PolarHBondContact O-N 3.4Å; V462-S466 VanDerWaalsContact O-CB 3.31Å; V462-S466 WeakPolarHBondContact O-CB 3.35Å; V462-S466 PolarHBondContact O-N 3.25Å; V462-S466 PolarHBondContact O-OG 3.5Å
463K77.8Confident69.1Low131 Ų13174.4 Ų74.457%0.5740%0.402SS*.Hα-helixtrans-65.4-50.1178.6-171179176.5-175.70111.5E459 I460 F461 Q465 S466 E467E459-K463 VanDerWaalsContact O-CB 3.27Å; E459-K463 WeakPolarHBondContact O-CB 3.37Å; E459-K463 PolarHBondContact O-N 3.36Å; I460-K463 PolarHBondContact O-N 3.4Å; F461-K463 VanDerWaalsContact C-N 3.32Å; F461-K463 PolarHBondContact O-N 3.37Å; K463-Q465 VanDerWaalsContact C-N 3.31Å; K463-Q465 PolarHBondContact O-N 3.1Å; K463-S466 PolarHBondContact O-N 3.37Å; K463-S466 PolarHBondContact O-OG 3.11Å; K463-E467 WeakPolarHBondContact CE-OE1 3.31Å; K463-E467 WeakPolarHBondContact O-CG 3.39Å; K463-E467 PolarHBondContact O-N 3.01Å
464E74.3Confident66.9Low49 Ų4980.7 Ų80.723%0.22944%0.435CS..Hα-helixtrans-61.7-39.6177.1-72.9-163.7158.200111.6F28 K31 L175 I460 F461 E467 M468F28-E464 HydrophobicContact CD2-CB 3.98Å; F28-E464 VanDerWaalsContact CD2-OE2 3.25Å; F28-E464 WeakPolarHBondContact CD2-OE2 3.4Å; F28-E464 HydrophobicContact CE2-CB 4.13Å; F28-E464 WeakPolarHBondContact CE2-OE2 3.48Å; K31-E464 IonicContact NZ-OE1 2.96Å; K31-E464 PolarHBondContact NZ-OE1 2.8Å; K31-E464 IonicContact NZ-OE2 2.94Å; K31-E464 PolarHBondContact NZ-OE2 3.24Å; L175-E464 WeakPolarHBondContact CD2-OE2 3.43Å; I460-E464 HydrophobicContact CG2-CG 4.45Å; I460-E464 PolarHBondContact O-N 2.88Å; F461-E464 PolarHBondContact O-N 2.86Å; E464-E467 PolarHBondContact O-N 3.48Å; E464-M468 WeakPolarHBondContact O-CG 3.47Å; E464-M468 PolarHBondContact O-N 3.33Å
465Q72.1Confident64.6Low110 Ų11083.7 Ų83.751%0.51445%0.451SS..Hα-helixtrans-66.1-38.5175.8-168.7179.81.400112.1F461 V462 K463 M468 G469F461-Q465 VanDerWaalsContact CE1-OE1 3.29Å; F461-Q465 VanDerWaalsContact O-CB 3.28Å; F461-Q465 WeakPolarHBondContact O-CB 3.38Å; F461-Q465 PolarHBondContact O-N 3.02Å; V462-Q465 PolarHBondContact O-N 3.4Å; K463-Q465 VanDerWaalsContact C-N 3.31Å; K463-Q465 PolarHBondContact O-N 3.1Å; Q465-M468 PolarHBondContact O-N 3.07Å; Q465-G469 PolarHBondContact O-N 2.99Å
466S72.3Confident62.2Low69 Ų6993 Ų9348%0.48349%0.494SS..Hα-helixtrans-67.1-37.5175.8750000112.3V462 K463 G469 S470V462-S466 VanDerWaalsContact O-CB 3.31Å; V462-S466 WeakPolarHBondContact O-CB 3.35Å; V462-S466 PolarHBondContact O-N 3.25Å; V462-S466 PolarHBondContact O-OG 3.5Å; K463-S466 PolarHBondContact O-N 3.37Å; K463-S466 PolarHBondContact O-OG 3.11Å; S466-G469 PolarHBondContact O-N 2.94Å; S466-S470 VanDerWaalsContact O-CB 3.26Å; S466-S470 WeakPolarHBondContact O-CB 3.49Å; S466-S470 PolarHBondContact O-N 3.5Å
467E66.3Low61.4Low113 Ų11394.9 Ų94.953%0.52851%0.505SS..Hα-helixtrans-66-40.7174.6-73.2176.9-171.600110.7K463 E464 M471K463-E467 WeakPolarHBondContact CE-OE1 3.31Å; K463-E467 WeakPolarHBondContact O-CG 3.39Å; K463-E467 PolarHBondContact O-N 3.01Å; E464-E467 PolarHBondContact O-N 3.48Å; E467-M471 PolarHBondContact O-N 2.93Å
468M59.8Low60.4Low100 Ų10098.2 Ų98.249%0.49353%0.525SS..Hα-helixtrans-68.2-39.5173.4-71.8-178.479.200113.3F28 E464 Q465 M471 G472F28-M468 HydrophobicContact CB-CE 4.04Å; F28-M468 HydrophobicContact CB-SD 3.29Å; F28-M468 WeakPolarHBondContact CB-SD 3.43Å; F28-M468 HydrophobicContact CG-SD 4.11Å; E464-M468 WeakPolarHBondContact O-CG 3.47Å; E464-M468 PolarHBondContact O-N 3.33Å; Q465-M468 PolarHBondContact O-N 3.07Å; M468-M471 PolarHBondContact O-N 2.97Å; M468-G472 PolarHBondContact O-N 3.27Å
469G53.8Low59.1Low50 Ų5097 Ų9752%0.51553%0.525SS..Hα-helixtrans-66.6-37.3176.300000112.6Q465 S466 G472 A473Q465-G469 PolarHBondContact O-N 2.99Å; S466-G469 PolarHBondContact O-N 2.94Å; G469-G472 PolarHBondContact O-N 3.2Å; G469-A473 PolarHBondContact O-N 3.08Å; G469-A473 VanDerWaalsContact O-N 3.14Å
470S47.7Very low57.9Low70 Ų7098.9 Ų98.949%0.4954%0.538SS..Hα-helixtrans-66.2-39.2171.9-178.10000112S466 G472 A473 L474S466-S470 VanDerWaalsContact O-CB 3.26Å; S466-S470 WeakPolarHBondContact O-CB 3.49Å; S466-S470 PolarHBondContact O-N 3.5Å; S470-G472 VanDerWaalsContact C-N 3.32Å; S470-G472 PolarHBondContact O-N 3.49Å; S470-A473 PolarHBondContact O-N 2.87Å; S470-L474 PolarHBondContact O-N 3.45Å
471M40Very low56.7Low128 Ų128100.9 Ų100.963%0.63155%0.551SS**Hα-helixtrans-67.7-30.6173.3-116.4165.294.400113E467 M468 L474E467-M471 PolarHBondContact O-N 2.93Å; M468-M471 PolarHBondContact O-N 2.97Å; M471-L474 PolarHBondContact O-N 3.08Å
472G37Very low55.3Low37 Ų37102.5 Ų102.538%0.38157%0.565SS.*Hα-helixtrans-67.9-35.4172.200000113.2M468 G469 S470 L474M468-G472 PolarHBondContact O-N 3.27Å; G469-G472 PolarHBondContact O-N 3.2Å; S470-G472 VanDerWaalsContact C-N 3.32Å; S470-G472 PolarHBondContact O-N 3.49Å; G472-L474 VanDerWaalsContact C-N 3.33Å
473A37.8Very low53.5Low81 Ų81105.4 Ų105.467%0.66958%0.578SS**Hα-helixtrans-76.7-17.6176.700000113.9G469 S470G469-A473 PolarHBondContact O-N 3.08Å; G469-A473 VanDerWaalsContact O-N 3.14Å; S470-A473 PolarHBondContact O-N 2.87Å
474L38.8Very low51.6Low139 Ų139103.4 Ų103.473%0.72858%0.579SS**THydrogen-bonded Turntrans-87.9-10.2175-85161.2000113.7S470 M471 G472S470-L474 PolarHBondContact O-N 3.45Å; M471-L474 PolarHBondContact O-N 3.08Å; G472-L474 VanDerWaalsContact C-N 3.33Å
475L36.4Very low49.7Very low141 Ų141107.9 Ų107.974%0.73861%0.608SS**  trans-110.515.4-177.6-80.9171.8000114
476F34.5Very low47.7Very low257 Ų257107.7 Ų107.7100%1.12762%0.617SS**  trans-124.60170.9-84.4-75.9000112.4

Retrieved 476 of 476 residues in 2539.2 ms (Link to these results)

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