A0A077ZAI9_TRITR Loading...

Protein CYP 13B1, a

AlphaFold DB , UniProt , Accession A0A077ZAI9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 344 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.6Very low76.1Confident241 Ų24179.8 Ų79.8100%1.18751%0.511SS*.  0104.30-70.2178.4-175.800107.6G3M1-G3 PolarHBondContact O-N 2.96Å
2D51.1Low77.7Confident78 Ų7880.7 Ų80.742%0.41751%0.508SS..  trans-7613.2177.9-72.6-36.1000113.3G4 V5 K31 Y34D2-G4 PolarHBondContact O-N 2.87Å; D2-V5 PolarHBondContact O-N 2.96Å; D2-K31 WeakPolarHBondContact OD2-CE 2.96Å; D2-K31 IonicContact OD2-NZ 3.54Å; D2-K31 PolarHBondContact OD2-NZ 3.13Å; D2-Y34 WeakPolarHBondContact OD1-CD2 3.49Å
3G57.5Low79.1Confident80 Ų8076.3 Ų76.383%0.82548%0.479SS*.THydrogen-bonded Turntrans-62.3-5.8-161.600000116.6M1M1-G3 PolarHBondContact O-N 2.96Å
4G68.4Low80.3Confident75 Ų7578.1 Ų78.177%0.77348%0.478SS*.THydrogen-bonded Turntrans-95.5-13.4-179.800000115.9D2D2-G4 PolarHBondContact O-N 2.87Å
5V72.4Confident81.3Confident42 Ų4274.5 Ų74.526%0.25546%0.455SS..SBendtrans-103.3118.4-174.7-170.60000110.5D2 I7 Y34D2-V5 PolarHBondContact O-N 2.96Å; V5-I7 PolarHBondContact O-N 2.69Å; V5-Y34 HydrophobicContact CG2-CE2 4.26Å; V5-Y34 WeakPolarHBondContact CG2-OH 3.44Å
6P81.8Confident82.3Confident82 Ų8269.9 Ų69.953%0.53243%0.426SS..  trans-62.1139.7179.2-9.920.4000111.2I220 H221P6-I220 HydrophobicContact CB-CD1 3.74Å; P6-I220 HydrophobicContact CG-CD1 3.58Å; P6-H221 PolarHBondContact O-N 3.25Å
7I88.5Confident83.1Confident86 Ų8667.6 Ų67.644%0.44141%0.411SS..EExtended strand (participates in β ladder)trans-113.4118.2173.6-55.2179000107.8V5 V9 H221 L223V5-I7 PolarHBondContact O-N 2.69Å; I7-V9 HydrophobicContact CG2-CG2 4.27Å; I7-H221 CarbonylContact C-O 3.5Å; I7-H221 WeakPolarHBondContact CA-O 3.32Å; I7-H221 HydrophobicContact CG1-CB 4.26Å; I7-H221 HydrophobicContact CG2-CB 4.48Å; I7-L223 HydrophobicContact CG2-CB 3.92Å
8L92.4Very high83.8Confident49 Ų4965.7 Ų65.726%0.25740%0.398SS..EExtended strand (participates in β ladder)trans-82.5112.5169.4-179.265.6000108.7V10 M15 I216 I220 H221 V222 L223L8-V10 HydrophobicContact CD2-CG2 3.99Å; L8-V10 HydrophobicContact CG-CG2 3.75Å; L8-M15 HydrophobicContact CD2-CE 3.83Å; L8-I216 HydrophobicContact CD2-CD1 3.73Å; L8-I216 HydrophobicContact CD2-CG1 4Å; L8-I220 HydrophobicContact CB-CG2 4.16Å; L8-H221 PolarHBondContact N-O 2.63Å; L8-V222 HydrophobicContact CB-CG2 4.44Å; L8-V222 HydrophobicContact CD2-CG2 4.32Å; L8-V222 CarbonylContact O-C 3.57Å; L8-V222 VanDerWaalsContact O-CA 3.28Å; L8-V222 WeakPolarHBondContact O-CA 3.42Å; L8-L223 PolarHBondContact O-N 3.01Å
9V94.4Very high84.4Confident84 Ų8462.3 Ų62.351%0.50938%0.377SS..EExtended strand (participates in β ladder)trans-92.5125.3175.2-1770000108.4I7 L223 D225I7-V9 HydrophobicContact CG2-CG2 4.27Å; V9-L223 CarbonylContact C-O 3.53Å; V9-L223 WeakPolarHBondContact CA-O 3.13Å; V9-L223 HydrophobicContact CG2-CD2 4.46Å; V9-D225 HydrophobicContact CG1-CB 3.74Å
10V95.1Very high85Confident5 Ų559.2 Ų59.23%0.0336%0.359CS..EExtended strand (participates in β ladder)trans-127.1121.8-173.3-173.30000110.2L8 D12 M15 L16 I19 V222 L223 A224 D225L8-V10 HydrophobicContact CD2-CG2 3.99Å; L8-V10 HydrophobicContact CG-CG2 3.75Å; V10-D12 HydrophobicContact CG1-CB 4.43Å; V10-M15 HydrophobicContact CG1-CB 3.87Å; V10-M15 HydrophobicContact CG1-CG 3.86Å; V10-M15 HydrophobicContact CG1-SD 3.77Å; V10-M15 HydrophobicContact CG2-SD 4.08Å; V10-L16 HydrophobicContact CB-CD2 3.89Å; V10-L16 HydrophobicContact CB-CG 4.35Å; V10-L16 HydrophobicContact CG1-CD2 3.87Å; V10-L16 HydrophobicContact CG1-CG 3.84Å; V10-I19 HydrophobicContact CG2-CD1 4.31Å; V10-V222 HydrophobicContact CB-CG1 4.48Å; V10-V222 HydrophobicContact CG2-CG1 3.76Å; V10-L223 PolarHBondContact N-O 2.89Å; V10-A224 WeakPolarHBondContact O-CA 3.34Å; V10-D225 PolarHBondContact O-N 3.47Å
11S95.1Very high85.4Confident56 Ų5660.2 Ų60.239%0.39236%0.361SS..  trans-109.5-13.6169.952.20000112.9L13 I229S11-L13 PolarHBondContact O-N 2.85Å; S11-I229 WeakPolarHBondContact O-CG1 3.43Å
12D95.6Very high88Confident90 Ų9055 Ų5548%0.48133%0.332SS..  trans-68.2123.8177.3-179.2-97.2000111.5V10 E14 M15 L16V10-D12 HydrophobicContact CG1-CB 4.43Å; D12-E14 PolarHBondContact OD1-N 3.25Å; D12-M15 HydrophobicContact CB-CB 4.04Å; D12-M15 VanDerWaalsContact OD1-CB 3.3Å; D12-M15 WeakPolarHBondContact OD1-CB 3.36Å; D12-M15 PolarHBondContact OD1-N 2.58Å; D12-L16 WeakPolarHBondContact O-CG 3.48Å; D12-L16 PolarHBondContact O-N 3.47Å
13L96.1Very high90.1Very high24 Ų2455 Ų5513%0.12633%0.328CS..Hα-helixtrans-70.6-33.9-171.6-64.3-176000113.1S11 L16 N17 I229 I235 H257 L259S11-L13 PolarHBondContact O-N 2.85Å; L13-L16 PolarHBondContact O-N 3.34Å; L13-N17 WeakPolarHBondContact O-CB 3.3Å; L13-N17 PolarHBondContact O-N 3.33Å; L13-I229 HydrophobicContact CD2-CD1 4.28Å; L13-I229 HydrophobicContact CD2-CG1 4.19Å; L13-I229 HydrophobicContact CD2-CG2 3.74Å; L13-I235 HydrophobicContact CD1-CD1 3.65Å; L13-I235 HydrophobicContact CD1-CG1 4.41Å; L13-I235 HydrophobicContact CD2-CD1 4.46Å; L13-I235 HydrophobicContact CG-CD1 4.2Å; L13-H257 HydrophobicContact CD1-CB 3.58Å; L13-L259 HydrophobicContact CD2-CB 4.21Å
14E95.1Very high91.8Very high101 Ų10152.9 Ų52.947%0.47230%0.296SS..Hα-helixtrans-73-41.6178.9-72.9-59.9157.700111.1D12 L16 N17 D18 H257D12-E14 PolarHBondContact OD1-N 3.25Å; E14-L16 VanDerWaalsContact C-N 3.31Å; E14-L16 PolarHBondContact O-N 2.83Å; E14-N17 WeakPolarHBondContact O-CB 3.3Å; E14-N17 PolarHBondContact O-N 2.95Å; E14-N17 VanDerWaalsContact O-N 3.16Å; E14-D18 PolarHBondContact O-N 3.1Å; E14-H257 IonicContact OE1-NE2 2.72Å
15M95.8Very high93Very high25 Ų2555.6 Ų55.612%0.12329%0.293CS..Hα-helixtrans-61.6-41.2172.2-169.7174.6-166.100111L8 V10 D12 N17 D18 I19 I211 I214 I216L8-M15 HydrophobicContact CD2-CE 3.83Å; V10-M15 HydrophobicContact CG1-CB 3.87Å; V10-M15 HydrophobicContact CG1-CG 3.86Å; V10-M15 HydrophobicContact CG1-SD 3.77Å; V10-M15 HydrophobicContact CG2-SD 4.08Å; D12-M15 HydrophobicContact CB-CB 4.04Å; D12-M15 VanDerWaalsContact OD1-CB 3.3Å; D12-M15 WeakPolarHBondContact OD1-CB 3.36Å; D12-M15 PolarHBondContact OD1-N 2.58Å; M15-N17 VanDerWaalsContact C-N 3.35Å; M15-D18 PolarHBondContact O-N 2.98Å; M15-I19 HydrophobicContact CE-CD1 4.29Å; M15-I19 HydrophobicContact CG-CD1 3.87Å; M15-I19 WeakPolarHBondContact O-CB 3.09Å; M15-I19 WeakPolarHBondContact O-CG1 3.03Å; M15-I19 PolarHBondContact O-N 2.92Å; M15-I211 HydrophobicContact CG-CG2 3.88Å; M15-I214 HydrophobicContact CE-CD1 4.15Å; M15-I216 HydrophobicContact CE-CD1 3.97Å
16L96.3Very high94Very high0 Ų054.3 Ų54.30%029%0.286CS..Hα-helixtrans-65.5-36.3173.8-73.7-179.5000112.9V10 D12 L13 E14 D18 I19 F20 A224 I229 L259 I262V10-L16 HydrophobicContact CB-CD2 3.89Å; V10-L16 HydrophobicContact CB-CG 4.35Å; V10-L16 HydrophobicContact CG1-CD2 3.87Å; V10-L16 HydrophobicContact CG1-CG 3.84Å; D12-L16 WeakPolarHBondContact O-CG 3.48Å; D12-L16 PolarHBondContact O-N 3.47Å; L13-L16 PolarHBondContact O-N 3.34Å; E14-L16 VanDerWaalsContact C-N 3.31Å; E14-L16 PolarHBondContact O-N 2.83Å; L16-D18 VanDerWaalsContact C-N 3.34Å; L16-I19 PolarHBondContact O-N 2.82Å; L16-F20 HydrophobicContact CD2-CD2 4.5Å; L16-F20 HydrophobicContact CD2-CE1 4.23Å; L16-F20 HydrophobicContact CD2-CE2 3.91Å; L16-F20 HydrophobicContact CD2-CZ 3.78Å; L16-F20 VanDerWaalsContact O-CB 3.28Å; L16-F20 WeakPolarHBondContact O-CB 3.36Å; L16-F20 WeakPolarHBondContact O-CG 3.19Å; L16-F20 PolarHBondContact O-N 3.11Å; L16-A224 HydrophobicContact CD1-CB 3.98Å; L16-A224 HydrophobicContact CD2-CB 3.77Å; L16-I229 HydrophobicContact CD1-CD1 3.36Å; L16-L259 HydrophobicContact CB-CD1 3.96Å; L16-I262 HydrophobicContact CD1-CD1 4.28Å
17N96.3Very high94.6Very high31 Ų3150.4 Ų50.417%0.16626%0.261CS..Hα-helixtrans-61.6-44.9174-173.633.4000111L13 E14 M15 I21 K22 L259L13-N17 WeakPolarHBondContact O-CB 3.3Å; L13-N17 PolarHBondContact O-N 3.33Å; E14-N17 WeakPolarHBondContact O-CB 3.3Å; E14-N17 PolarHBondContact O-N 2.95Å; E14-N17 VanDerWaalsContact O-N 3.16Å; M15-N17 VanDerWaalsContact C-N 3.35Å; N17-I21 WeakPolarHBondContact O-CA 3.36Å; N17-I21 WeakPolarHBondContact O-CB 3.42Å; N17-I21 PolarHBondContact O-N 2.88Å; N17-I21 WeakPolarHBondContact OD1-CD1 3.4Å; N17-K22 VanDerWaalsContact ND2-CE 3.32Å; N17-K22 WeakPolarHBondContact ND2-CE 3.28Å; N17-K22 PolarHBondContact O-N 3.31Å; N17-K22 VanDerWaalsContact O-N 3.11Å; N17-L259 VanDerWaalsContact CA-CD1 3.43Å; N17-L259 HydrophobicContact CB-CD1 3.75Å; N17-L259 VanDerWaalsContact N-CD1 3.29Å
18D96Very high94.6Very high34 Ų3448.2 Ų48.218%0.18225%0.248CC..Iπ-helixtrans-63.3-44.4175.3-77.8-0.4000112.1E14 M15 L16 K22 K23 I211E14-D18 PolarHBondContact O-N 3.1Å; M15-D18 PolarHBondContact O-N 2.98Å; L16-D18 VanDerWaalsContact C-N 3.34Å; D18-K22 PolarHBondContact O-N 3.4Å; D18-K22 WeakPolarHBondContact OD1-CD 3.2Å; D18-K22 VanDerWaalsContact OD1-CE 3.25Å; D18-K22 WeakPolarHBondContact OD1-CE 3.46Å; D18-K22 IonicContact OD1-NZ 2.75Å; D18-K22 PolarHBondContact OD1-NZ 2.98Å; D18-K23 WeakPolarHBondContact O-CA 3.07Å; D18-K23 WeakPolarHBondContact O-CB 3.46Å; D18-K23 PolarHBondContact O-N 2.93Å; D18-I211 HydrophobicContact CB-CD1 4.18Å; D18-I211 HydrophobicContact CB-CG1 4.48Å; D18-I211 HydrophobicContact CB-CG2 3.65Å
19I95.7Very high94.3Very high0 Ų045.9 Ų45.90%024%0.236CC..Iπ-helixtrans-71.7-45.7-177.3-66.1170.7000111.6V10 M15 L16 F27 I211 I216 V222V10-I19 HydrophobicContact CG2-CD1 4.31Å; M15-I19 HydrophobicContact CE-CD1 4.29Å; M15-I19 HydrophobicContact CG-CD1 3.87Å; M15-I19 WeakPolarHBondContact O-CB 3.09Å; M15-I19 WeakPolarHBondContact O-CG1 3.03Å; M15-I19 PolarHBondContact O-N 2.92Å; L16-I19 PolarHBondContact O-N 2.82Å; I19-F27 HydrophobicContact CB-CD2 4.36Å; I19-F27 HydrophobicContact CG1-CE2 4.25Å; I19-F27 HydrophobicContact CG1-CZ 4.31Å; I19-F27 HydrophobicContact CG2-CB 4.1Å; I19-F27 HydrophobicContact CG2-CD1 3.76Å; I19-F27 HydrophobicContact CG2-CD2 3.87Å; I19-F27 HydrophobicContact CG2-CE1 4.11Å; I19-F27 HydrophobicContact CG2-CE2 4.25Å; I19-F27 HydrophobicContact CG2-CG 3.63Å; I19-F27 HydrophobicContact CG2-CZ 4.36Å; I19-F27 WeakPolarHBondContact O-CB 3.46Å; I19-I211 HydrophobicContact CB-CD1 4.49Å; I19-I211 HydrophobicContact CD1-CD1 4.39Å; I19-I211 HydrophobicContact CG1-CD1 3.42Å; I19-I211 VanDerWaalsContact CG1-CD1 3.42Å; I19-I216 HydrophobicContact CD1-CD1 4.2Å; I19-V222 HydrophobicContact CD1-CG1 3.87Å; I19-V222 HydrophobicContact CD1-CG2 4.41Å; I19-V222 HydrophobicContact CG2-CG1 4.31Å
20F95Very high93.7Very high1 Ų144.9 Ų44.90%0.00422%0.223CC..Iπ-helixtrans-85.7-25.7-172-67.5-8.7000113.8L16 V201 R203 A224 A266 P268L16-F20 HydrophobicContact CD2-CD2 4.5Å; L16-F20 HydrophobicContact CD2-CE1 4.23Å; L16-F20 HydrophobicContact CD2-CE2 3.91Å; L16-F20 HydrophobicContact CD2-CZ 3.78Å; L16-F20 VanDerWaalsContact O-CB 3.28Å; L16-F20 WeakPolarHBondContact O-CB 3.36Å; L16-F20 WeakPolarHBondContact O-CG 3.19Å; L16-F20 PolarHBondContact O-N 3.11Å; F20-V201 HydrophobicContact CE2-CG1 3.65Å; F20-V201 HydrophobicContact CZ-CG1 3.68Å; F20-R203 HydrophobicContact CD1-CG 3.64Å; F20-R203 HydrophobicContact CE1-CB 4.42Å; F20-R203 HydrophobicContact CE1-CG 3.38Å; F20-R203 HydrophobicContact CZ-CG 4.45Å; F20-A224 HydrophobicContact CE2-CB 3.93Å; F20-A224 HydrophobicContact CZ-CB 3.69Å; F20-A266 HydrophobicContact CD2-CB 4.1Å; F20-P268 WeakPolarHBondContact O-CD 3.4Å
21I94.9Very high92.6Very high81 Ų8148.3 Ų48.342%0.41524%0.238SC..Iπ-helixtrans-121.4-66.4-172.1-57.2167.8000110.4N17 K23 F24 L259N17-I21 WeakPolarHBondContact O-CA 3.36Å; N17-I21 WeakPolarHBondContact O-CB 3.42Å; N17-I21 PolarHBondContact O-N 2.88Å; N17-I21 WeakPolarHBondContact OD1-CD1 3.4Å; I21-K23 PolarHBondContact O-N 2.99Å; I21-F24 WeakPolarHBondContact O-CB 3.45Å; I21-F24 PolarHBondContact O-N 3.19Å; I21-L259 HydrophobicContact CD1-CD2 4.39Å
22K95.1Very high91Very high131 Ų13147.2 Ų47.257%0.5723%0.227SC*.Iπ-helixtrans-67.1-44-168.6-51.2-165.9-161.4135.60113.3N17 D18N17-K22 VanDerWaalsContact ND2-CE 3.32Å; N17-K22 WeakPolarHBondContact ND2-CE 3.28Å; N17-K22 PolarHBondContact O-N 3.31Å; N17-K22 VanDerWaalsContact O-N 3.11Å; D18-K22 PolarHBondContact O-N 3.4Å; D18-K22 WeakPolarHBondContact OD1-CD 3.2Å; D18-K22 VanDerWaalsContact OD1-CE 3.25Å; D18-K22 WeakPolarHBondContact OD1-CE 3.46Å; D18-K22 IonicContact OD1-NZ 2.75Å; D18-K22 PolarHBondContact OD1-NZ 2.98Å
23K94.9Very high89.3Confident78 Ų7844.9 Ų44.934%0.33922%0.22SC..THydrogen-bonded Turntrans-10430.7178.7-59-160.6-177.9-172.20112.7D18 I21 N25 C26 F27 C209 T210 I211D18-K23 WeakPolarHBondContact O-CA 3.07Å; D18-K23 WeakPolarHBondContact O-CB 3.46Å; D18-K23 PolarHBondContact O-N 2.93Å; I21-K23 PolarHBondContact O-N 2.99Å; K23-N25 PolarHBondContact O-N 2.94Å; K23-C26 WeakPolarHBondContact O-CB 3.48Å; K23-C26 PolarHBondContact O-N 2.97Å; K23-F27 HydrophobicContact CB-CD2 4.32Å; K23-F27 HydrophobicContact CB-CE2 4.31Å; K23-F27 WeakPolarHBondContact O-CD2 3.31Å; K23-C209 HydrophobicContact CD-CB 4.47Å; K23-T210 PolarHBondContact NZ-O 3.05Å; K23-I211 HydrophobicContact CD-CD1 4.08Å; K23-I211 HydrophobicContact CD-CG1 3.88Å
24F93.3Very high87.2Confident36 Ų3648.2 Ų48.216%0.15823%0.232CC..G310 helixtrans-50.7-34-179.9173.9-107.2000113.8I21 C26 F27 H28 W55 P268 R269I21-F24 WeakPolarHBondContact O-CB 3.45Å; I21-F24 PolarHBondContact O-N 3.19Å; F24-C26 PolarHBondContact O-N 3.04Å; F24-F27 CarbonylContact O-C 3.55Å; F24-F27 PolarHBondContact O-N 3.47Å; F24-H28 HydrophobicContact CE1-CB 3.99Å; F24-H28 HydrophobicContact CE2-CB 3.79Å; F24-H28 HydrophobicContact CZ-CB 3.5Å; F24-H28 PolarHBondContact O-N 2.63Å; F24-H28 VanDerWaalsContact O-N 3.1Å; F24-W55 HydrophobicContact CE1-CZ3 4.46Å; F24-W55 HydrophobicContact CZ-CH2 4.25Å; F24-W55 AromaticContact CZ-CZ3 3.86Å; F24-W55 HydrophobicContact CZ-CZ3 3.86Å; F24-P268 HydrophobicContact CD1-CB 4.32Å; F24-P268 HydrophobicContact CD1-CG 3.87Å; F24-P268 HydrophobicContact CD2-CB 4.15Å; F24-P268 HydrophobicContact CD2-CG 3.84Å; F24-P268 HydrophobicContact CE1-CB 3.95Å; F24-P268 HydrophobicContact CE1-CG 4.01Å; F24-P268 HydrophobicContact CE2-CB 3.79Å; F24-P268 HydrophobicContact CE2-CG 4.02Å; F24-P268 HydrophobicContact CG-CB 4.41Å; F24-P268 HydrophobicContact CG-CG 3.77Å; F24-P268 HydrophobicContact CZ-CB 3.67Å; F24-P268 HydrophobicContact CZ-CG 4.09Å; F24-R269 HydrophobicContact CE2-CG 3.65Å; F24-R269 HydrophobicContact CZ-CG 4.16Å
25N93Very high85.1Confident131 Ų13150.2 Ų50.270%0.70125%0.245SC*.G310 helixtrans-58.4-29.1176.6-67.9-19.9000113.2K23 H28K23-N25 PolarHBondContact O-N 2.94Å; N25-H28 PolarHBondContact O-CD2 3.19Å
26C93.9Very high82.9Confident15 Ų1550.9 Ų50.910%0.10125%0.249CC..G310 helixtrans-84.4-20.3174-61.80000112.4K23 F24 C205 M206K23-C26 WeakPolarHBondContact O-CB 3.48Å; K23-C26 PolarHBondContact O-N 2.97Å; F24-C26 PolarHBondContact O-N 3.04Å; C26-C205 CarbonylContact O-C 3.39Å; C26-C205 WeakPolarHBondContact O-CA 3.25Å; C26-M206 PolarHBondContact O-N 3.04Å
27F93.5Very high80.7Confident1 Ų157.3 Ų57.30%0.00428%0.281CS..SBendtrans-125.331.4-168.9-63.5-80.4000113.7I19 K23 F24 A29 R203 C205 C209 I211 I216 V222I19-F27 HydrophobicContact CB-CD2 4.36Å; I19-F27 HydrophobicContact CG1-CE2 4.25Å; I19-F27 HydrophobicContact CG1-CZ 4.31Å; I19-F27 HydrophobicContact CG2-CB 4.1Å; I19-F27 HydrophobicContact CG2-CD1 3.76Å; I19-F27 HydrophobicContact CG2-CD2 3.87Å; I19-F27 HydrophobicContact CG2-CE1 4.11Å; I19-F27 HydrophobicContact CG2-CE2 4.25Å; I19-F27 HydrophobicContact CG2-CG 3.63Å; I19-F27 HydrophobicContact CG2-CZ 4.36Å; I19-F27 WeakPolarHBondContact O-CB 3.46Å; K23-F27 HydrophobicContact CB-CD2 4.32Å; K23-F27 HydrophobicContact CB-CE2 4.31Å; K23-F27 WeakPolarHBondContact O-CD2 3.31Å; F24-F27 CarbonylContact O-C 3.55Å; F24-F27 PolarHBondContact O-N 3.47Å; F27-A29 VanDerWaalsContact C-N 3.32Å; F27-A29 PolarHBondContact O-N 2.99Å; F27-R203 HydrophobicContact CB-CB 4.09Å; F27-R203 HydrophobicContact CB-CG 4.35Å; F27-R203 HydrophobicContact CD1-CB 4.35Å; F27-R203 VanDerWaalsContact O-CD 3.27Å; F27-R203 WeakPolarHBondContact O-CD 3.47Å; F27-C205 HydrophobicContact CD1-CB 4.15Å; F27-C205 HydrophobicContact CE1-CB 3.63Å; F27-C205 HydrophobicContact CZ-CB 4.37Å; F27-C209 VanDerWaalsContact CE2-SG 3.52Å; F27-C209 VanDerWaalsContact CZ-SG 3.58Å; F27-I211 HydrophobicContact CE2-CD1 3.73Å; F27-I211 HydrophobicContact CZ-CD1 4.08Å; F27-I216 HydrophobicContact CE1-CD1 4.44Å; F27-I216 HydrophobicContact CE1-CG2 4.2Å; F27-I216 HydrophobicContact CZ-CB 4.45Å; F27-I216 HydrophobicContact CZ-CD1 3.94Å; F27-I216 HydrophobicContact CZ-CG2 4.31Å; F27-V222 HydrophobicContact CD1-CG2 4.25Å; F27-V222 HydrophobicContact CE1-CG2 3.84Å
28H88.6Confident78.7Confident39 Ų3961.7 Ų61.718%0.18130%0.304CS..  trans-79-11.9-174.862.263.4000114.7F24 N25 R269F24-H28 HydrophobicContact CE1-CB 3.99Å; F24-H28 HydrophobicContact CE2-CB 3.79Å; F24-H28 HydrophobicContact CZ-CB 3.5Å; F24-H28 PolarHBondContact O-N 2.63Å; F24-H28 VanDerWaalsContact O-N 3.1Å; N25-H28 PolarHBondContact O-CD2 3.19Å; H28-R269 PolarHBondContact O-NE 3.25Å
29A87.1Confident76.6Confident1 Ų168 Ų681%0.00833%0.332CS..BIsolated β-bridgetrans-95.6160.6-177.900000113F27 H51 R203 R204 M206F27-A29 VanDerWaalsContact C-N 3.32Å; F27-A29 PolarHBondContact O-N 2.99Å; A29-H51 HydrophobicContact CB-CB 3.68Å; A29-R203 CarbonylContact O-C 3.54Å; A29-R203 WeakPolarHBondContact O-CA 3.32Å; A29-R204 HydrophobicContact CB-CB 4.19Å; A29-R204 PolarHBondContact O-N 3.45Å; A29-M206 HydrophobicContact CB-CE 4.42Å; A29-M206 HydrophobicContact CB-CG 3.75Å; A29-M206 HydrophobicContact CB-SD 3.44Å; A29-M206 WeakPolarHBondContact CB-SD 3.34Å
30R82.2Confident74.5Confident63 Ų6371.1 Ų71.124%0.23836%0.358CS..  trans-107.6169.8169.2-72.4-174.6-176.8-172.7-1.5109.8I32 R269R30-I32 PolarHBondContact O-N 2.96Å; R30-R269 PolarHBondContact NH2-O 3.14Å
31K70.1Confident72.7Confident77 Ų7771.5 Ų71.534%0.33536%0.363SS..  trans-53.5134.8173.9-174.8171.6178.3-175.80110.3D2D2-K31 WeakPolarHBondContact OD2-CE 2.96Å; D2-K31 IonicContact OD2-NZ 3.54Å; D2-K31 PolarHBondContact OD2-NZ 3.13Å
32I63.2Low70.7Confident33 Ų3371.5 Ų71.517%0.16936%0.363CS..  trans-88.7125.7174.3-58.1-174.3000106.1R30 Y34R30-I32 PolarHBondContact O-N 2.96Å; I32-Y34 PolarHBondContact O-N 3.39Å
33A58.9Low68.9Low41 Ų4173.4 Ų73.434%0.33937%0.372SS..  trans-69.7109.6165.700000107.3L35 D36A33-L35 PolarHBondContact O-N 3.46Å; A33-D36 PolarHBondContact O-N 3.13Å; A33-D36 VanDerWaalsContact O-N 3.17Å
34Y51.7Low67.1Low94 Ų9478.1 Ų78.137%0.36939%0.392SS..THydrogen-bonded Turntrans-63.5-12.5-172.9-75.5-82.4000114.2D2 V5 I32 D36 M37D2-Y34 WeakPolarHBondContact OD1-CD2 3.49Å; V5-Y34 HydrophobicContact CG2-CE2 4.26Å; V5-Y34 WeakPolarHBondContact CG2-OH 3.44Å; I32-Y34 PolarHBondContact O-N 3.39Å; Y34-D36 VanDerWaalsContact C-N 3.26Å; Y34-D36 PolarHBondContact O-N 3.44Å; Y34-M37 VanDerWaalsContact O-CG 3.28Å; Y34-M37 WeakPolarHBondContact O-CG 3.38Å
35L50.7Low65.7Low142 Ų14277.8 Ų77.874%0.74339%0.39SS*.THydrogen-bonded Turntrans-78.4-11.3178.7-60.2159.6000112.4A33 Q135A33-L35 PolarHBondContact O-N 3.46Å; L35-Q135 VanDerWaalsContact CB-OE1 3.3Å
36D51.2Low64.6Low39 Ų3973.4 Ų73.421%0.20937%0.365CS..  trans-105.564.7175.8-169.334.2000111.9A33 Y34 G41A33-D36 PolarHBondContact O-N 3.13Å; A33-D36 VanDerWaalsContact O-N 3.17Å; Y34-D36 VanDerWaalsContact C-N 3.26Å; Y34-D36 PolarHBondContact O-N 3.44Å; D36-G41 WeakPolarHBondContact OD1-CA 3.31Å
37M49.1Very low63.8Low136 Ų13674 Ų7467%0.6737%0.366SS*.  trans-97.5-1.7177.2-76.4-83.1-70.800113.6Y34 E39Y34-M37 VanDerWaalsContact O-CG 3.28Å; Y34-M37 WeakPolarHBondContact O-CG 3.38Å; M37-E39 PolarHBondContact O-N 2.92Å
38N55.2Low62.9Low123 Ų12375.7 Ų75.766%0.65837%0.374SS*.  trans-66.8133.1176.3-74.4-11.5000109.8A40 G41 L42N38-A40 PolarHBondContact O-N 2.83Å; N38-A40 VanDerWaalsContact O-N 3.13Å; N38-G41 VanDerWaalsContact O-CA 3.28Å; N38-G41 WeakPolarHBondContact O-CA 3.42Å; N38-G41 PolarHBondContact O-N 3Å; N38-L42 PolarHBondContact O-N 2.92Å; N38-L42 VanDerWaalsContact O-N 3.1Å
39E51Low62.2Low165 Ų16575.1 Ų75.177%0.77138%0.376SS*.Hα-helixtrans-55.7-32.3177-77.7-169.715200112.6M37 G41 L42 K43M37-E39 PolarHBondContact O-N 2.92Å; E39-G41 VanDerWaalsContact C-N 3.32Å; E39-L42 WeakPolarHBondContact O-CB 3.46Å; E39-L42 PolarHBondContact O-N 2.67Å; E39-K43 PolarHBondContact O-N 2.77Å
40A52.7Low61.9Low66 Ų6675.2 Ų75.255%0.54538%0.377SS..Hα-helixtrans-63.1-37.1171.600000112.4N38 K43 K44N38-A40 PolarHBondContact O-N 2.83Å; N38-A40 VanDerWaalsContact O-N 3.13Å; A40-K43 PolarHBondContact O-N 2.94Å; A40-K44 WeakPolarHBondContact O-CG 3.46Å; A40-K44 PolarHBondContact O-N 3.5Å
41G56.2Low62Low10 Ų1075 Ų7510%0.10338%0.378CS..Hα-helixtrans-65.7-41.4174.600000112.2D36 N38 E39 K43 K44 R45D36-G41 WeakPolarHBondContact OD1-CA 3.31Å; N38-G41 VanDerWaalsContact O-CA 3.28Å; N38-G41 WeakPolarHBondContact O-CA 3.42Å; N38-G41 PolarHBondContact O-N 3Å; E39-G41 VanDerWaalsContact C-N 3.32Å; G41-K43 VanDerWaalsContact C-N 3.27Å; G41-K43 PolarHBondContact O-N 2.93Å; G41-K44 CarbonylContact O-C 3.48Å; G41-K44 WeakPolarHBondContact O-CA 3.24Å; G41-K44 PolarHBondContact O-N 3.11Å; G41-R45 PolarHBondContact O-N 3.34Å
42L54.1Low62.7Low80 Ų8072.5 Ų72.542%0.41937%0.374SS..Hα-helixtrans-55-41.3174.5-68.2176000112.6N38 E39 K44N38-L42 PolarHBondContact O-N 2.92Å; N38-L42 VanDerWaalsContact O-N 3.1Å; E39-L42 WeakPolarHBondContact O-CB 3.46Å; E39-L42 PolarHBondContact O-N 2.67Å; L42-K44 VanDerWaalsContact C-N 3.35Å
43K55.9Low63.8Low171 Ų17177.9 Ų77.974%0.74340%0.403SS*.Hα-helixtrans-70.3-30.1176.3-73.4-175.2-179.2175.40112.7E39 A40 G41 R54E39-K43 PolarHBondContact O-N 2.77Å; A40-K43 PolarHBondContact O-N 2.94Å; G41-K43 VanDerWaalsContact C-N 3.27Å; G41-K43 PolarHBondContact O-N 2.93Å; K43-R54 PolarHBondContact O-NH1 3.02Å; K43-R54 PolarHBondContact O-NH2 3.21Å
44K57.1Low64.9Low178 Ų17881.4 Ų81.477%0.77441%0.408SS*.Hα-helixtrans-90.9-0.4-179.2-68.6-177.3-179.6-177.30114.6A40 G41 L42 H46A40-K44 WeakPolarHBondContact O-CG 3.46Å; A40-K44 PolarHBondContact O-N 3.5Å; G41-K44 CarbonylContact O-C 3.48Å; G41-K44 WeakPolarHBondContact O-CA 3.24Å; G41-K44 PolarHBondContact O-N 3.11Å; L42-K44 VanDerWaalsContact C-N 3.35Å; K44-H46 PolarHBondContact O-N 2.85Å; K44-H46 VanDerWaalsContact O-N 3.09Å
45R64.1Low66.6Low29 Ų2977.8 Ų77.811%0.10939%0.393CS..  trans-53.4118.7177.6-77.9-173.4179.2171.83.4112.2G41 S50 R54G41-R45 PolarHBondContact O-N 3.34Å; R45-S50 PolarHBondContact O-OG 3.26Å; R45-R54 PolarHBondContact O-NH2 2.61Å
46H69.3Low68.4Low38 Ų3877.3 Ų77.318%0.17639%0.385CS..  trans-65.9169.6174.170.1118.8000111.8K44 F48 A49 S50 D136 W138K44-H46 PolarHBondContact O-N 2.85Å; K44-H46 VanDerWaalsContact O-N 3.09Å; H46-F48 VanDerWaalsContact C-N 3.27Å; H46-F48 AromaticContact CE1-CD2 3.94Å; H46-F48 AromaticContact ND1-CD2 3.48Å; H46-F48 WeakPolarHBondContact ND1-CD2 3.49Å; H46-F48 PolarHBondContact O-N 3.14Å; H46-A49 WeakPolarHBondContact NE2-CB 3.36Å; H46-A49 PolarHBondContact O-N 3.24Å; H46-S50 WeakPolarHBondContact O-CB 3.5Å; H46-S50 PolarHBondContact O-N 2.99Å; H46-S50 PolarHBondContact O-OG 3.46Å; H46-D136 IonicContact CD2-OD2 3.76Å; H46-D136 PolarHBondContact CD2-OD2 3.27Å; H46-D136 VanDerWaalsContact CD2-OD2 3.32Å; H46-D136 IonicContact NE2-OD1 3.72Å; H46-D136 IonicContact NE2-OD2 3.32Å; H46-W138 AromaticContact CG-CD1 3.94Å; H46-W138 AromaticContact ND1-CD1 3.36Å; H46-W138 AromaticContact ND1-CG 3.65Å
47M76.9Confident70.1Confident27 Ų2784.4 Ų84.413%0.13341%0.409CS..THydrogen-bonded Turntrans-58.9-34.6-174177.7177.253.500113.6S50 L58 R59 S62 I272M47-S50 PolarHBondContact O-N 3.14Å; M47-L58 HydrophobicContact CB-CB 3.99Å; M47-L58 HydrophobicContact CB-CD1 4.22Å; M47-L58 HydrophobicContact CG-CB 3.89Å; M47-L58 HydrophobicContact SD-CB 4.31Å; M47-R59 WeakPolarHBondContact SD-CA 3.44Å; M47-R59 HydrophobicContact SD-CB 3.93Å; M47-R59 HydrophobicContact SD-CG 4.44Å; M47-S62 WeakPolarHBondContact CE-OG 3.49Å; M47-S62 PolarHBondContact SD-OG 2.85Å; M47-I272 HydrophobicContact CE-CD1 3.79Å; M47-I272 HydrophobicContact CE-CG2 3.91Å; M47-I272 HydrophobicContact SD-CD1 4.1Å
48F75.1Confident71.7Confident37 Ų3780.5 Ų80.516%0.16239%0.391CS..THydrogen-bonded Turntrans-74.3-37.6-174.2-56.6-83.7000112.3H46 W138 R269 I272H46-F48 VanDerWaalsContact C-N 3.27Å; H46-F48 AromaticContact CE1-CD2 3.94Å; H46-F48 AromaticContact ND1-CD2 3.48Å; H46-F48 WeakPolarHBondContact ND1-CD2 3.49Å; H46-F48 PolarHBondContact O-N 3.14Å; F48-W138 HydrophobicContact CD2-CB 3.91Å; F48-W138 AromaticContact CD2-CD2 3.89Å; F48-W138 HydrophobicContact CD2-CD2 3.89Å; F48-W138 HydrophobicContact CD2-CE3 4.09Å; F48-W138 AromaticContact CD2-CG 3.82Å; F48-W138 HydrophobicContact CD2-CG 3.82Å; F48-W138 HydrophobicContact CE2-CB 4.26Å; F48-W138 AromaticContact CE2-CD2 3.46Å; F48-W138 HydrophobicContact CE2-CD2 3.46Å; F48-W138 VanDerWaalsContact CE2-CD2 3.46Å; F48-W138 AromaticContact CE2-CE3 3.27Å; F48-W138 HydrophobicContact CE2-CE3 3.27Å; F48-W138 AromaticContact CE2-CG 3.92Å; F48-W138 HydrophobicContact CE2-CG 3.92Å; F48-W138 HydrophobicContact CE2-CH2 4.44Å; F48-W138 AromaticContact CE2-CZ3 3.8Å; F48-W138 HydrophobicContact CE2-CZ3 3.8Å; F48-W138 AromaticContact CZ-CE3 3.94Å; F48-W138 HydrophobicContact CZ-CE3 3.94Å; F48-W138 HydrophobicContact CZ-CZ3 4.22Å; F48-R269 PolarHBondContact O-NH2 3.05Å; F48-I272 HydrophobicContact CE1-CG2 4.06Å; F48-I272 HydrophobicContact CZ-CG2 4.13Å
49A74.8Confident73.1Confident27 Ų2777.3 Ų77.322%0.22337%0.369CS..THydrogen-bonded Turntrans-79.2-2117300000113.7H46H46-A49 WeakPolarHBondContact NE2-CB 3.36Å; H46-A49 PolarHBondContact O-N 3.24Å
50S79.7Confident74.9Confident3 Ų373.4 Ų73.42%0.02136%0.36CS..  trans-64.7155.9175.3-67.10000112.3R45 H46 M47 R54 R269R45-S50 PolarHBondContact O-OG 3.26Å; H46-S50 WeakPolarHBondContact O-CB 3.5Å; H46-S50 PolarHBondContact O-N 2.99Å; H46-S50 PolarHBondContact O-OG 3.46Å; M47-S50 PolarHBondContact O-N 3.14Å; S50-R54 PolarHBondContact OG-NE 3.23Å; S50-R269 PolarHBondContact O-NH2 2.79Å
51H84.1Confident76.4Confident58 Ų5876 Ų7627%0.26936%0.363SS..  trans-144.4172.8174.954.3-92.6000111.2A29 W55A29-H51 HydrophobicContact CB-CB 3.68Å; H51-W55 PolarHBondContact O-N 2.84Å
52G85Confident77.5Confident25 Ų2576.8 Ų76.826%0.25837%0.368SS..Hα-helixtrans60-144.2179.600000113.5R54 W55 K56G52-R54 VanDerWaalsContact C-N 3.32Å; G52-R54 PolarHBondContact O-N 3.45Å; G52-W55 PolarHBondContact O-N 2.77Å; G52-K56 PolarHBondContact O-N 3.06Å
53L86.4Confident78.9Confident147 Ų14775.1 Ų75.177%0.7737%0.366SS*.Hα-helixtrans-61.3-36.3-177.5-67.9175.6000113.1K56 R57L53-K56 PolarHBondContact O-N 3.44Å; L53-R57 WeakPolarHBondContact O-CB 3.48Å; L53-R57 PolarHBondContact O-N 3.09Å
54R82.5Confident80.2Confident115 Ų11570.8 Ų70.843%0.43436%0.355SS..Hα-helixtrans-62-47.9177-179.2177.5172.4116-2.8111.2K43 R45 S50 G52 R57 L58K43-R54 PolarHBondContact O-NH1 3.02Å; K43-R54 PolarHBondContact O-NH2 3.21Å; R45-R54 PolarHBondContact O-NH2 2.61Å; S50-R54 PolarHBondContact OG-NE 3.23Å; G52-R54 VanDerWaalsContact C-N 3.32Å; G52-R54 PolarHBondContact O-N 3.45Å; R54-R57 PolarHBondContact O-N 3.21Å; R54-L58 HydrophobicContact CG-CD1 4.03Å; R54-L58 WeakPolarHBondContact O-CG 3.26Å; R54-L58 PolarHBondContact O-N 2.96Å
55W87.1Confident81.1Confident17 Ų1763.7 Ų63.76%0.06433%0.33CS..Hα-helixtrans-61.1-45.9175164.167.6000111.8F24 H51 G52 R57 L58 R59 P268 R269F24-W55 HydrophobicContact CE1-CZ3 4.46Å; F24-W55 HydrophobicContact CZ-CH2 4.25Å; F24-W55 AromaticContact CZ-CZ3 3.86Å; F24-W55 HydrophobicContact CZ-CZ3 3.86Å; H51-W55 PolarHBondContact O-N 2.84Å; G52-W55 PolarHBondContact O-N 2.77Å; W55-R57 VanDerWaalsContact C-N 3.3Å; W55-R57 PolarHBondContact O-N 2.83Å; W55-L58 PolarHBondContact O-N 3.24Å; W55-R59 HydrophobicContact CZ2-CB 4.5Å; W55-R59 HydrophobicContact CZ2-CG 4.47Å; W55-R59 WeakPolarHBondContact O-CB 3.38Å; W55-R59 PolarHBondContact O-N 2.87Å; W55-P268 HydrophobicContact CH2-CB 3.94Å; W55-P268 WeakPolarHBondContact CH2-O 3.32Å; W55-P268 WeakPolarHBondContact CZ2-O 3.31Å; W55-R269 HydrophobicContact CH2-CG 4.22Å; W55-R269 HydrophobicContact CZ2-CG 4.16Å
56K89.5Confident81.9Confident133 Ų13363.5 Ų63.558%0.57833%0.33SS*.Hα-helixtrans-56.5-46.8179.3-170.3178-179.4-179.30110.5G52 L53 R59 S60G52-K56 PolarHBondContact O-N 3.06Å; L53-K56 PolarHBondContact O-N 3.44Å; K56-R59 PolarHBondContact O-N 3.14Å; K56-S60 PolarHBondContact O-N 3.09Å; K56-S60 PolarHBondContact O-OG 3.49Å; K56-S60 VanDerWaalsContact O-OG 3.09Å
57R86.4Confident82.4Confident187 Ų18763.4 Ų63.471%0.70633%0.333SS*.Hα-helixtrans-60.6-51.5176.3-174.9176-179.5178.50.4112.2L53 R54 W55 R59 S60 I61L53-R57 WeakPolarHBondContact O-CB 3.48Å; L53-R57 PolarHBondContact O-N 3.09Å; R54-R57 PolarHBondContact O-N 3.21Å; W55-R57 VanDerWaalsContact C-N 3.3Å; W55-R57 PolarHBondContact O-N 2.83Å; R57-R59 VanDerWaalsContact C-N 3.29Å; R57-R59 PolarHBondContact O-N 2.98Å; R57-S60 PolarHBondContact O-N 3.24Å; R57-I61 HydrophobicContact CG-CD1 3.9Å; R57-I61 VanDerWaalsContact O-CG1 3.31Å; R57-I61 WeakPolarHBondContact O-CG1 3.37Å; R57-I61 PolarHBondContact O-N 2.98Å
58L82.1Confident82.4Confident55 Ų5564.4 Ų64.429%0.28834%0.341SS..Hα-helixtrans-61.2-37.8179.9-70.6172.5000112.2M47 R54 W55 I61 S62M47-L58 HydrophobicContact CB-CB 3.99Å; M47-L58 HydrophobicContact CB-CD1 4.22Å; M47-L58 HydrophobicContact CG-CB 3.89Å; M47-L58 HydrophobicContact SD-CB 4.31Å; R54-L58 HydrophobicContact CG-CD1 4.03Å; R54-L58 WeakPolarHBondContact O-CG 3.26Å; R54-L58 PolarHBondContact O-N 2.96Å; W55-L58 PolarHBondContact O-N 3.24Å; L58-I61 PolarHBondContact O-N 3.34Å; L58-S62 WeakPolarHBondContact O-CB 3.11Å; L58-S62 PolarHBondContact O-N 3.5Å; L58-S62 VanDerWaalsContact O-N 3.09Å; L58-S62 PolarHBondContact O-OG 3.19Å
59R85.7Confident82.5Confident56 Ų5668.5 Ų68.521%0.21136%0.363CS..Hα-helixtrans-68.7-43176.6-173170.3-175.4117.6-7.9112.1M47 W55 K56 R57 I61 S62 A63 R270 I272M47-R59 WeakPolarHBondContact SD-CA 3.44Å; M47-R59 HydrophobicContact SD-CB 3.93Å; M47-R59 HydrophobicContact SD-CG 4.44Å; W55-R59 HydrophobicContact CZ2-CB 4.5Å; W55-R59 HydrophobicContact CZ2-CG 4.47Å; W55-R59 WeakPolarHBondContact O-CB 3.38Å; W55-R59 PolarHBondContact O-N 2.87Å; K56-R59 PolarHBondContact O-N 3.14Å; R57-R59 VanDerWaalsContact C-N 3.29Å; R57-R59 PolarHBondContact O-N 2.98Å; R59-I61 VanDerWaalsContact C-N 3.28Å; R59-I61 PolarHBondContact O-N 2.96Å; R59-S62 PolarHBondContact O-N 3.02Å; R59-S62 PolarHBondContact O-OG 3.37Å; R59-A63 VanDerWaalsContact O-CB 3.24Å; R59-A63 WeakPolarHBondContact O-CB 3.44Å; R59-A63 PolarHBondContact O-N 2.97Å; R59-R270 VanDerWaalsContact CZ-O 3.26Å; R59-R270 PolarHBondContact NH1-O 3.44Å; R59-R270 PolarHBondContact NH2-O 3.33Å; R59-I272 HydrophobicContact CG-CD1 4.1Å
60S88.4Confident82.4Confident83 Ų8374.2 Ų74.258%0.5838%0.379SS*.Hα-helixtrans-61.7-37.4176.2-65.30000112.3K56 R57 P64K56-S60 PolarHBondContact O-N 3.09Å; K56-S60 PolarHBondContact O-OG 3.49Å; K56-S60 VanDerWaalsContact O-OG 3.09Å; R57-S60 PolarHBondContact O-N 3.24Å; S60-P64 WeakPolarHBondContact O-CD 3.4Å
61I83.6Confident82.1Confident119 Ų11974.1 Ų74.161%0.6138%0.378SS*.Hα-helixtrans-69.9-40.2178.2-67.8166.2000111.6R57 L58 R59 P64R57-I61 HydrophobicContact CG-CD1 3.9Å; R57-I61 VanDerWaalsContact O-CG1 3.31Å; R57-I61 WeakPolarHBondContact O-CG1 3.37Å; R57-I61 PolarHBondContact O-N 2.98Å; L58-I61 PolarHBondContact O-N 3.34Å; R59-I61 VanDerWaalsContact C-N 3.28Å; R59-I61 PolarHBondContact O-N 2.96Å; I61-P64 WeakPolarHBondContact O-CD 3.35Å
62S79.3Confident81.5Confident28 Ų2874.5 Ų74.520%0.19638%0.379CS..Hα-helixtrans-88.3-24.6-174.453.40000114.5M47 L58 R59 P64 A65 F66 I272M47-S62 WeakPolarHBondContact CE-OG 3.49Å; M47-S62 PolarHBondContact SD-OG 2.85Å; L58-S62 WeakPolarHBondContact O-CB 3.11Å; L58-S62 PolarHBondContact O-N 3.5Å; L58-S62 VanDerWaalsContact O-N 3.09Å; L58-S62 PolarHBondContact O-OG 3.19Å; R59-S62 PolarHBondContact O-N 3.02Å; R59-S62 PolarHBondContact O-OG 3.37Å; S62-P64 VanDerWaalsContact C-N 3.34Å; S62-A65 WeakPolarHBondContact O-CB 3.38Å; S62-A65 PolarHBondContact O-N 3.45Å; S62-F66 WeakPolarHBondContact O-CD2 3.49Å; S62-I272 VanDerWaalsContact OG-CD1 3.29Å; S62-I272 WeakPolarHBondContact OG-CD1 3.48Å
63A84.3Confident80.7Confident45 Ų4578.6 Ų78.637%0.37239%0.391SS..G310 helixtrans-53.7-38.3-177.100000115R59 A65 F66 I272R59-A63 VanDerWaalsContact O-CB 3.24Å; R59-A63 WeakPolarHBondContact O-CB 3.44Å; R59-A63 PolarHBondContact O-N 2.97Å; A63-A65 PolarHBondContact O-N 2.96Å; A63-F66 PolarHBondContact O-N 3.42Å; A63-F66 VanDerWaalsContact O-N 3.12Å; A63-I272 HydrophobicContact CB-CD1 4.46Å
64P82.8Confident79.7Confident80 Ų8072.8 Ų72.852%0.51936%0.362SS..G310 helixtrans-59.3-30.6177.1-25.936.1000114.3S60 I61 S62 F66 S67S60-P64 WeakPolarHBondContact O-CD 3.4Å; I61-P64 WeakPolarHBondContact O-CD 3.35Å; S62-P64 VanDerWaalsContact C-N 3.34Å; P64-F66 VanDerWaalsContact C-N 3.26Å; P64-F66 PolarHBondContact O-N 2.9Å; P64-S67 VanDerWaalsContact O-CB 3.31Å; P64-S67 WeakPolarHBondContact O-CB 3.23Å; P64-S67 PolarHBondContact O-N 2.85Å; P64-S67 PolarHBondContact O-OG 2.94Å
65A75.9Confident78.9Confident29 Ų2967.4 Ų67.424%0.2434%0.342CS..G310 helixtrans-66.6-27.9178.300000112.6S62 A63 S67S62-A65 WeakPolarHBondContact O-CB 3.38Å; S62-A65 PolarHBondContact O-N 3.45Å; A63-A65 PolarHBondContact O-N 2.96Å; A65-S67 VanDerWaalsContact C-N 3.34Å
66F80.5Confident77.7Confident25 Ų2569.7 Ų69.711%0.1135%0.353CS..G310 helixtrans-95.416.4177.9-61.3-83.6000113S62 A63 P64 I272 F276S62-F66 WeakPolarHBondContact O-CD2 3.49Å; A63-F66 PolarHBondContact O-N 3.42Å; A63-F66 VanDerWaalsContact O-N 3.12Å; P64-F66 VanDerWaalsContact C-N 3.26Å; P64-F66 PolarHBondContact O-N 2.9Å; F66-I272 HydrophobicContact CD2-CD1 3.89Å; F66-I272 HydrophobicContact CD2-CG1 3.88Å; F66-I272 HydrophobicContact CD2-CG2 4.46Å; F66-I272 HydrophobicContact CE2-CD1 4.1Å; F66-I272 HydrophobicContact CE2-CG1 4.34Å; F66-I272 HydrophobicContact CE2-CG2 4.2Å; F66-I272 HydrophobicContact CG-CG1 4.41Å; F66-I272 HydrophobicContact CZ-CG2 4.43Å; F66-F276 HydrophobicContact CD1-CB 4.05Å
67S80.4Confident76Confident36 Ų3669 Ų6925%0.25236%0.356SS..SBendtrans-73.1143174.465.50000111.2P64 A65 I69 R70 L71P64-S67 VanDerWaalsContact O-CB 3.31Å; P64-S67 WeakPolarHBondContact O-CB 3.23Å; P64-S67 PolarHBondContact O-N 2.85Å; P64-S67 PolarHBondContact O-OG 2.94Å; A65-S67 VanDerWaalsContact C-N 3.34Å; S67-I69 PolarHBondContact O-N 3.5Å; S67-R70 PolarHBondContact O-N 2.84Å; S67-R70 VanDerWaalsContact OG-CG 3.3Å; S67-R70 WeakPolarHBondContact OG-CG 3.32Å; S67-L71 VanDerWaalsContact O-CG 3.32Å; S67-L71 WeakPolarHBondContact O-CG 3.15Å; S67-L71 PolarHBondContact O-N 3.47Å
68T77.8Confident74.5Confident48 Ų4864.4 Ų64.429%0.29435%0.345SS..Hα-helixtrans-50.6-37.8-177.9-53.10000113.5K72T68-K72 WeakPolarHBondContact O-CG 3.3Å; T68-K72 PolarHBondContact O-N 3.37Å
69I75.8Confident73.2Confident122 Ų12262.5 Ų62.563%0.62634%0.335SS*.Hα-helixtrans-65.2-49.4180-62172.2000110.6S67 L71 K72 Q73S67-I69 PolarHBondContact O-N 3.5Å; I69-L71 VanDerWaalsContact C-N 3.33Å; I69-L71 PolarHBondContact O-N 2.91Å; I69-K72 PolarHBondContact O-N 2.98Å; I69-Q73 PolarHBondContact O-N 3.29Å
70R73.3Confident71.6Confident148 Ų14862.7 Ų62.756%0.55834%0.338SS*.Hα-helixtrans-61.7-44.1178.3-69.1-65.6-174.3176.42111.1S67 K72 Q73 T74S67-R70 PolarHBondContact O-N 2.84Å; S67-R70 VanDerWaalsContact OG-CG 3.3Å; S67-R70 WeakPolarHBondContact OG-CG 3.32Å; R70-K72 VanDerWaalsContact C-N 3.34Å; R70-K72 PolarHBondContact O-N 2.7Å; R70-Q73 PolarHBondContact O-N 3.24Å; R70-T74 PolarHBondContact O-N 3.48Å; R70-T74 VanDerWaalsContact O-N 3.14Å; R70-T74 PolarHBondContact O-OG1 3.45Å; R70-T74 VanDerWaalsContact O-OG1 3.1Å
71L73.4Confident69.7Low1 Ų162.3 Ų62.31%0.00534%0.335CS..Hα-helixtrans-62.7-39-179.7-61.7178.8000112.8S67 I69 T74 I75 C106 R275 F276 L279S67-L71 VanDerWaalsContact O-CG 3.32Å; S67-L71 WeakPolarHBondContact O-CG 3.15Å; S67-L71 PolarHBondContact O-N 3.47Å; I69-L71 VanDerWaalsContact C-N 3.33Å; I69-L71 PolarHBondContact O-N 2.91Å; L71-T74 PolarHBondContact O-N 3.28Å; L71-I75 HydrophobicContact CB-CD1 4.29Å; L71-I75 WeakPolarHBondContact O-CB 3.23Å; L71-I75 VanDerWaalsContact O-CG1 3.28Å; L71-I75 WeakPolarHBondContact O-CG1 3.35Å; L71-I75 PolarHBondContact O-N 3.41Å; L71-C106 HydrophobicContact CD2-CB 4.31Å; L71-C106 VanDerWaalsContact CD2-SG 3.56Å; L71-R275 HydrophobicContact CD1-CB 4.11Å; L71-F276 HydrophobicContact CD1-CB 3.95Å; L71-F276 HydrophobicContact CD2-CB 4.13Å; L71-F276 HydrophobicContact CD2-CD2 3.64Å; L71-F276 HydrophobicContact CD2-CG 4.38Å; L71-L279 HydrophobicContact CB-CD2 3.64Å
72K71.7Confident67.9Low66 Ų6660.4 Ų60.429%0.28733%0.33SS..Hα-helixtrans-61.8-46.2175.2-77.8-177.6-179.6-174.80111.9T68 I69 R70 T74 Q76 L279T68-K72 WeakPolarHBondContact O-CG 3.3Å; T68-K72 PolarHBondContact O-N 3.37Å; I69-K72 PolarHBondContact O-N 2.98Å; R70-K72 VanDerWaalsContact C-N 3.34Å; R70-K72 PolarHBondContact O-N 2.7Å; K72-T74 PolarHBondContact O-N 2.88Å; K72-Q76 VanDerWaalsContact O-CB 3.26Å; K72-Q76 WeakPolarHBondContact O-CB 3.29Å; K72-Q76 WeakPolarHBondContact O-CG 3.32Å; K72-Q76 PolarHBondContact O-N 3.18Å; K72-L279 HydrophobicContact CG-CD2 4.43Å
73Q67.9Low66.2Low110 Ų11061.6 Ų61.651%0.51434%0.338SS..Hα-helixtrans-61.1-35.7-179.8-69.9174-22.800112.1I69 R70 N77I69-Q73 PolarHBondContact O-N 3.29Å; R70-Q73 PolarHBondContact O-N 3.24Å; Q73-N77 PolarHBondContact O-ND2 2.84Å
74T65Low64.3Low25 Ų2570.2 Ų70.215%0.15336%0.361CS..Hα-helixtrans-85.8-44-175.4-53.90000113.8R70 L71 K72 R105 C106R70-T74 PolarHBondContact O-N 3.48Å; R70-T74 VanDerWaalsContact O-N 3.14Å; R70-T74 PolarHBondContact O-OG1 3.45Å; R70-T74 VanDerWaalsContact O-OG1 3.1Å; L71-T74 PolarHBondContact O-N 3.28Å; K72-T74 PolarHBondContact O-N 2.88Å; T74-R105 HydrophobicContact CG2-CB 3.15Å; T74-R105 HydrophobicContact CG2-CG 4.14Å; T74-C106 WeakPolarHBondContact CB-SG 3.38Å; T74-C106 WeakPolarHBondContact CG2-SG 3.32Å
75I65.5Low62.4Low2 Ų275.9 Ų75.91%0.0138%0.378CS..Hα-helixtrans-83.9-20.4-170.8-55.8174.1000111.8L71 N77 L79 F276 L279 L283L71-I75 HydrophobicContact CB-CD1 4.29Å; L71-I75 WeakPolarHBondContact O-CB 3.23Å; L71-I75 VanDerWaalsContact O-CG1 3.28Å; L71-I75 WeakPolarHBondContact O-CG1 3.35Å; L71-I75 PolarHBondContact O-N 3.41Å; I75-N77 VanDerWaalsContact C-N 3.34Å; I75-N77 PolarHBondContact O-N 2.66Å; I75-L79 HydrophobicContact CG2-CD1 3.55Å; I75-F276 HydrophobicContact CD1-CD2 3.9Å; I75-F276 HydrophobicContact CD1-CE2 3.89Å; I75-F276 HydrophobicContact CG1-CE2 4.46Å; I75-L279 HydrophobicContact CD1-CD2 4.14Å; I75-L279 HydrophobicContact CD1-CG 4.41Å; I75-L283 HydrophobicContact CB-CD1 4.01Å; I75-L283 HydrophobicContact CG2-CD1 3.41Å; I75-L283 VanDerWaalsContact CG2-CD1 3.41Å
76Q62.3Low60.9Low65 Ų6577.4 Ų77.430%0.30439%0.386SS..SBendtrans-70.2-27.7-177.4-78.3-179.3-17.500113.9K72 R287K72-Q76 VanDerWaalsContact O-CB 3.26Å; K72-Q76 WeakPolarHBondContact O-CB 3.29Å; K72-Q76 WeakPolarHBondContact O-CG 3.32Å; K72-Q76 PolarHBondContact O-N 3.18Å; Q76-R287 PolarHBondContact O-NH2 3.01Å
77N54.1Low59.4Low120 Ų12081.1 Ų81.164%0.64241%0.413SS*.SBendtrans-76.8-32.6-160.6-74.4-13.9000115.9Q73 I75Q73-N77 PolarHBondContact O-ND2 2.84Å; I75-N77 VanDerWaalsContact C-N 3.34Å; I75-N77 PolarHBondContact O-N 2.66Å
78D54.5Low57.9Low90 Ų9082.4 Ų82.448%0.48143%0.426SS..  trans-153.430.2-170.6-92.1-48.9000117F80 S81D78-F80 PolarHBondContact O-N 3.28Å; D78-S81 PolarHBondContact O-N 2.95Å
79L54.5Low56.7Low14 Ų1481.9 Ų81.97%0.07342%0.423CS..THydrogen-bonded Turntrans-56.4-21.9-167.7-148.382.5000116.4I75 L98 L283 R287I75-L79 HydrophobicContact CG2-CD1 3.55Å; L79-L98 HydrophobicContact CB-CD1 4.31Å; L79-L98 HydrophobicContact CD1-CD1 3.39Å; L79-L98 HydrophobicContact CD1-CD2 3.68Å; L79-L98 HydrophobicContact CD1-CG 3.71Å; L79-L98 HydrophobicContact CD2-CD2 3.86Å; L79-L98 HydrophobicContact CG-CD1 3.56Å; L79-L98 HydrophobicContact CG-CD2 3.49Å; L79-L98 VanDerWaalsContact CG-CD2 3.49Å; L79-L98 HydrophobicContact CG-CG 3.95Å; L79-L98 WeakPolarHBondContact O-CD1 3.28Å; L79-L283 HydrophobicContact CD2-CB 4.15Å; L79-R287 VanDerWaalsContact CB-NH1 3.32Å
80F53Low56Low60 Ų6079.3 Ų79.326%0.26341%0.407SS..THydrogen-bonded Turntrans-137.914.3-174.4-72.2-77.3000115.1D78 C83 T284 R287D78-F80 PolarHBondContact O-N 3.28Å; F80-C83 HydrophobicContact CD1-CB 4.24Å; F80-C83 PolarHBondContact O-N 3.31Å; F80-T284 HydrophobicContact CZ-CG2 4.29Å; F80-R287 HydrophobicContact CD2-CB 3.94Å; F80-R287 HydrophobicContact CD2-CG 4.41Å; F80-R287 HydrophobicContact CE2-CB 3.38Å; F80-R287 HydrophobicContact CE2-CG 4.11Å; F80-R287 HydrophobicContact CZ-CB 4.22Å
81S47.6Very low55.6Low75 Ų7572.9 Ų72.952%0.52438%0.384SS..G310 helixtrans-56-33.3172.772.20000113.4D78 C83D78-S81 PolarHBondContact O-N 2.95Å; S81-C83 PolarHBondContact O-N 3.36Å
82P47.1Very low55.1Low79 Ų7975.2 Ų75.251%0.51339%0.392SS..G310 helixtrans-72.9-25.5179.1-16.531.6000114.2R84P82-R84 PolarHBondContact O-N 2.94Å
83C43.4Very low54.7Low53 Ų5379 Ų7936%0.35841%0.405SS..G310 helixtrans-66.1-7.2-172.7-90.30000115F80 S81 K85F80-C83 HydrophobicContact CD1-CB 4.24Å; F80-C83 PolarHBondContact O-N 3.31Å; S81-C83 PolarHBondContact O-N 3.36Å; C83-K85 VanDerWaalsContact C-N 3.35Å; C83-K85 PolarHBondContact O-N 3.16Å
84R43.4Very low54.6Low227 Ų22775 Ų7586%0.85739%0.387SS*.G310 helixtrans-76.3-15.1-177.3-72.9-169.2-172.9-156.64.7114.6P82P82-R84 PolarHBondContact O-N 2.94Å
85K43.2Very low54.8Low199 Ų19974 Ų7487%0.86538%0.38SS*.SBendtrans-107.5-14.2-163.1-68.6-168.1179-177.30117.6C83C83-K85 VanDerWaalsContact C-N 3.35Å; C83-K85 PolarHBondContact O-N 3.16Å
86S44.7Very low54.9Low60 Ų6074.6 Ų74.642%0.4238%0.383SS..  trans-134.7121.3-176.442.50000114.1A88 T89S86-A88 VanDerWaalsContact C-N 3.32Å; S86-A88 PolarHBondContact O-N 2.87Å; S86-T89 WeakPolarHBondContact CB-OG1 3.22Å; S86-T89 PolarHBondContact O-OG1 3.4Å; S86-T89 PolarHBondContact OG-OG1 3.46Å
87P48.3Very low55.1Low103 Ų10375.3 Ų75.367%0.66939%0.387SS*.SBendtrans-71-20.8-170.925.2-32.5000114.6
88A48.9Very low55.8Low64 Ų6470.3 Ų70.353%0.52936%0.36SS..SBendtrans-131.876.2177.400000110.2S86S86-A88 VanDerWaalsContact C-N 3.32Å; S86-A88 PolarHBondContact O-N 2.87Å
89T54.3Low56.5Low37 Ų3766 Ų6623%0.22734%0.337CS..  trans-100.7128.5172.4-400000108.9S86 L91 L94S86-T89 WeakPolarHBondContact CB-OG1 3.22Å; S86-T89 PolarHBondContact O-OG1 3.4Å; S86-T89 PolarHBondContact OG-OG1 3.46Å; T89-L91 PolarHBondContact O-N 2.97Å; T89-L94 HydrophobicContact CG2-CD1 3.91Å; T89-L94 HydrophobicContact CG2-CD2 3.91Å; T89-L94 HydrophobicContact CG2-CG 3.64Å
90F59.9Low57.3Low68 Ų6865.7 Ų65.730%0.29834%0.335SS..  trans-58.3114.4171.1-73.3-92.2000109.1R92 R93 L94 P322 P333F90-R92 PolarHBondContact O-N 3.43Å; F90-R92 VanDerWaalsContact O-N 3.14Å; F90-R93 HydrophobicContact CB-CB 4.47Å; F90-R93 HydrophobicContact CB-CG 4.37Å; F90-R93 WeakPolarHBondContact O-CB 2.76Å; F90-R93 PolarHBondContact O-N 2.99Å; F90-L94 PolarHBondContact O-N 3.18Å; F90-P322 HydrophobicContact CD1-CB 3.87Å; F90-P322 HydrophobicContact CE1-CB 3.67Å; F90-P322 HydrophobicContact CE1-CG 4.21Å; F90-P333 HydrophobicContact CE1-CG 4.14Å; F90-P333 HydrophobicContact CZ-CG 3.8Å
91L64.1Low58.1Low13 Ų1364 Ų647%0.06833%0.329CS..Hα-helixtrans-57.8-33.1-177.4-157.885.3000111.7T89 R93 L94 F95 I154 L288 L323T89-L91 PolarHBondContact O-N 2.97Å; L91-R93 VanDerWaalsContact C-N 3.32Å; L91-R93 PolarHBondContact O-N 2.79Å; L91-L94 HydrophobicContact CD1-CD1 4.19Å; L91-L94 WeakPolarHBondContact O-CB 3.34Å; L91-L94 PolarHBondContact O-N 2.89Å; L91-L94 VanDerWaalsContact O-N 3.14Å; L91-F95 HydrophobicContact CB-CE2 4.42Å; L91-F95 HydrophobicContact CD1-CE1 4.33Å; L91-F95 HydrophobicContact CD1-CZ 4.32Å; L91-F95 HydrophobicContact CD2-CD2 4.21Å; L91-F95 HydrophobicContact CD2-CE1 3.79Å; L91-F95 HydrophobicContact CD2-CE2 3.19Å; L91-F95 HydrophobicContact CD2-CZ 3.01Å; L91-F95 HydrophobicContact CG-CD1 4.34Å; L91-F95 HydrophobicContact CG-CD2 4.21Å; L91-F95 HydrophobicContact CG-CE1 3.76Å; L91-F95 HydrophobicContact CG-CE2 3.63Å; L91-F95 HydrophobicContact CG-CZ 3.46Å; L91-F95 VanDerWaalsContact CG-CZ 3.46Å; L91-F95 WeakPolarHBondContact O-CD2 3.3Å; L91-F95 WeakPolarHBondContact O-CG 3.39Å; L91-F95 PolarHBondContact O-N 3.42Å; L91-I154 HydrophobicContact CD2-CD1 3.18Å; L91-L288 HydrophobicContact CD2-CD2 4.38Å; L91-L323 HydrophobicContact CB-CB 4.48Å; L91-L323 HydrophobicContact CB-CD1 3.43Å; L91-L323 VanDerWaalsContact CB-CD1 3.43Å; L91-L323 HydrophobicContact CD1-CD1 3.97Å; L91-L323 HydrophobicContact CD2-CD1 3.28Å; L91-L323 HydrophobicContact CG-CD1 3.73Å
92R63.7Low59.1Low49 Ų4960.5 Ų60.519%0.18531%0.305CS..Hα-helixtrans-53.2-45170.3-173.9174.5-177-88.5-1.6112.9F90 F95 Q96 D147F90-R92 PolarHBondContact O-N 3.43Å; F90-R92 VanDerWaalsContact O-N 3.14Å; R92-F95 PolarHBondContact O-N 2.92Å; R92-Q96 VanDerWaalsContact CZ-NE2 3.28Å; R92-Q96 VanDerWaalsContact NH1-NE2 3.18Å; R92-Q96 VanDerWaalsContact O-CG 3.29Å; R92-Q96 WeakPolarHBondContact O-CG 3.13Å; R92-Q96 PolarHBondContact O-N 3.47Å; R92-D147 HydrophobicContact CG-CB 3.86Å
93R64.2Low60.2Low145 Ų14557.1 Ų57.155%0.54728%0.282SS..Hα-helixtrans-69.1-37.5178-75.5-172.6177.4166.33.4112.1F90 L91 F95 Q96 Q97F90-R93 HydrophobicContact CB-CB 4.47Å; F90-R93 HydrophobicContact CB-CG 4.37Å; F90-R93 WeakPolarHBondContact O-CB 2.76Å; F90-R93 PolarHBondContact O-N 2.99Å; L91-R93 VanDerWaalsContact C-N 3.32Å; L91-R93 PolarHBondContact O-N 2.79Å; R93-F95 VanDerWaalsContact C-N 3.31Å; R93-Q96 WeakPolarHBondContact O-CB 3.41Å; R93-Q96 PolarHBondContact O-N 2.89Å; R93-Q97 WeakPolarHBondContact O-CG 3.37Å; R93-Q97 PolarHBondContact O-N 2.86Å
94L64.9Low61.3Low27 Ų2754.7 Ų54.714%0.14127%0.265CS..Hα-helixtrans-61.1-44.5174.5-72.3168.4000110.6T89 F90 L91 Q96 Q97 L98T89-L94 HydrophobicContact CG2-CD1 3.91Å; T89-L94 HydrophobicContact CG2-CD2 3.91Å; T89-L94 HydrophobicContact CG2-CG 3.64Å; F90-L94 PolarHBondContact O-N 3.18Å; L91-L94 HydrophobicContact CD1-CD1 4.19Å; L91-L94 WeakPolarHBondContact O-CB 3.34Å; L91-L94 PolarHBondContact O-N 2.89Å; L91-L94 VanDerWaalsContact O-N 3.14Å; L94-Q96 VanDerWaalsContact C-N 3.35Å; L94-Q97 PolarHBondContact O-N 3.31Å; L94-L98 WeakPolarHBondContact O-CB 3.48Å; L94-L98 PolarHBondContact O-N 3.4Å
95F69.5Low62.4Low3 Ų346.4 Ų46.41%0.01323%0.234CC..Hα-helixtrans-63.1-40.5174.6-61.9-22.9000112.1L91 R92 R93 Q97 L98 T99 D147 L150 I154 T284L91-F95 HydrophobicContact CB-CE2 4.42Å; L91-F95 HydrophobicContact CD1-CE1 4.33Å; L91-F95 HydrophobicContact CD1-CZ 4.32Å; L91-F95 HydrophobicContact CD2-CD2 4.21Å; L91-F95 HydrophobicContact CD2-CE1 3.79Å; L91-F95 HydrophobicContact CD2-CE2 3.19Å; L91-F95 HydrophobicContact CD2-CZ 3.01Å; L91-F95 HydrophobicContact CG-CD1 4.34Å; L91-F95 HydrophobicContact CG-CD2 4.21Å; L91-F95 HydrophobicContact CG-CE1 3.76Å; L91-F95 HydrophobicContact CG-CE2 3.63Å; L91-F95 HydrophobicContact CG-CZ 3.46Å; L91-F95 VanDerWaalsContact CG-CZ 3.46Å; L91-F95 WeakPolarHBondContact O-CD2 3.3Å; L91-F95 WeakPolarHBondContact O-CG 3.39Å; L91-F95 PolarHBondContact O-N 3.42Å; R92-F95 PolarHBondContact O-N 2.92Å; R93-F95 VanDerWaalsContact C-N 3.31Å; F95-Q97 PolarHBondContact O-N 3.34Å; F95-L98 WeakPolarHBondContact O-CB 3.44Å; F95-L98 PolarHBondContact O-N 2.76Å; F95-T99 WeakPolarHBondContact O-CB 3.19Å; F95-T99 PolarHBondContact O-N 3.5Å; F95-T99 PolarHBondContact O-OG1 2.69Å; F95-D147 HydrophobicContact CB-CB 4.05Å; F95-D147 WeakPolarHBondContact CB-OD1 3.17Å; F95-L150 HydrophobicContact CB-CD1 4.15Å; F95-L150 HydrophobicContact CD1-CD1 3.89Å; F95-L150 HydrophobicContact CD2-CB 3.6Å; F95-L150 HydrophobicContact CD2-CD1 3.76Å; F95-L150 HydrophobicContact CD2-CG 4.32Å; F95-L150 HydrophobicContact CE1-CD1 4.07Å; F95-L150 HydrophobicContact CE2-CB 3.37Å; F95-L150 HydrophobicContact CE2-CD1 3.92Å; F95-L150 HydrophobicContact CE2-CG 4.16Å; F95-L150 HydrophobicContact CG-CB 4.39Å; F95-L150 HydrophobicContact CG-CD1 3.68Å; F95-L150 HydrophobicContact CZ-CB 3.99Å; F95-L150 HydrophobicContact CZ-CD1 3.98Å; F95-L150 HydrophobicContact CZ-CD2 4.41Å; F95-L150 HydrophobicContact CZ-CG 4.37Å; F95-I154 HydrophobicContact CE2-CD1 3.77Å; F95-I154 HydrophobicContact CZ-CD1 3.59Å; F95-T284 HydrophobicContact CD1-CG2 4Å; F95-T284 HydrophobicContact CE1-CG2 3.2Å; F95-T284 HydrophobicContact CZ-CG2 3.64Å
96Q67.1Low63.4Low16 Ų1637.7 Ų37.78%0.07520%0.198CC..Hα-helixtrans-58.5-50.8176.1-76.5-178.3-18.300112.4R92 R93 L94 L98 L100 S143 D147R92-Q96 VanDerWaalsContact CZ-NE2 3.28Å; R92-Q96 VanDerWaalsContact NH1-NE2 3.18Å; R92-Q96 VanDerWaalsContact O-CG 3.29Å; R92-Q96 WeakPolarHBondContact O-CG 3.13Å; R92-Q96 PolarHBondContact O-N 3.47Å; R93-Q96 WeakPolarHBondContact O-CB 3.41Å; R93-Q96 PolarHBondContact O-N 2.89Å; L94-Q96 VanDerWaalsContact C-N 3.35Å; Q96-L98 VanDerWaalsContact C-N 3.28Å; Q96-L98 PolarHBondContact O-N 2.77Å; Q96-L100 WeakPolarHBondContact O-CB 3.21Å; Q96-L100 PolarHBondContact O-N 2.83Å; Q96-S143 WeakPolarHBondContact CA-OG 2.81Å; Q96-S143 PolarHBondContact O-OG 2.93Å; Q96-D147 VanDerWaalsContact CA-OD1 3.3Å; Q96-D147 WeakPolarHBondContact CA-OD1 3.5Å; Q96-D147 VanDerWaalsContact CD-OD2 3.3Å; Q96-D147 HydrophobicContact CG-CB 4.48Å; Q96-D147 WeakPolarHBondContact CG-OD1 3.1Å; Q96-D147 WeakPolarHBondContact CG-OD2 3.48Å; Q96-D147 PolarHBondContact N-OD1 2.9Å; Q96-D147 PolarHBondContact NE2-OD2 3.38Å
97Q66.5Low64.4Low79 Ų7936.7 Ų36.737%0.36919%0.194SC..Hα-helixtrans-62.5-41.4178.7-72.9178.2-3200110.7R93 L94 F95 L100 D101 D121 L123R93-Q97 WeakPolarHBondContact O-CG 3.37Å; R93-Q97 PolarHBondContact O-N 2.86Å; L94-Q97 PolarHBondContact O-N 3.31Å; F95-Q97 PolarHBondContact O-N 3.34Å; Q97-L100 PolarHBondContact O-N 2.72Å; Q97-D101 WeakPolarHBondContact O-CB 3.49Å; Q97-D101 PolarHBondContact O-N 2.71Å; Q97-D121 PolarHBondContact NE2-OD2 3.27Å; Q97-L123 HydrophobicContact CG-CD2 4.07Å
98L68.4Low65.3Low16 Ų1637.3 Ų37.38%0.08419%0.186CC..Hα-helixtrans-66.1-47.3-178.7-173.763.3000113.4L79 L94 F95 Q96 L100 D101 S102L79-L98 HydrophobicContact CB-CD1 4.31Å; L79-L98 HydrophobicContact CD1-CD1 3.39Å; L79-L98 HydrophobicContact CD1-CD2 3.68Å; L79-L98 HydrophobicContact CD1-CG 3.71Å; L79-L98 HydrophobicContact CD2-CD2 3.86Å; L79-L98 HydrophobicContact CG-CD1 3.56Å; L79-L98 HydrophobicContact CG-CD2 3.49Å; L79-L98 VanDerWaalsContact CG-CD2 3.49Å; L79-L98 HydrophobicContact CG-CG 3.95Å; L79-L98 WeakPolarHBondContact O-CD1 3.28Å; L94-L98 WeakPolarHBondContact O-CB 3.48Å; L94-L98 PolarHBondContact O-N 3.4Å; F95-L98 WeakPolarHBondContact O-CB 3.44Å; F95-L98 PolarHBondContact O-N 2.76Å; Q96-L98 VanDerWaalsContact C-N 3.28Å; Q96-L98 PolarHBondContact O-N 2.77Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L98-D101 PolarHBondContact O-N 3.46Å; L98-S102 WeakPolarHBondContact O-CB 3.16Å; L98-S102 PolarHBondContact O-N 3.34Å; L98-S102 PolarHBondContact O-OG 2.84Å
99T70.9Confident66Low0 Ų037.5 Ų37.50%019%0.194CC..Hα-helixtrans-67.7-40.6178.9-560000110.1F95 S102 I103 F146 F276 E280F95-T99 WeakPolarHBondContact O-CB 3.19Å; F95-T99 PolarHBondContact O-N 3.5Å; F95-T99 PolarHBondContact O-OG1 2.69Å; T99-S102 PolarHBondContact O-N 2.72Å; T99-I103 HydrophobicContact CG2-CD1 3.73Å; T99-I103 HydrophobicContact CG2-CG1 4.26Å; T99-I103 WeakPolarHBondContact O-CB 3.41Å; T99-I103 WeakPolarHBondContact O-CG1 3.02Å; T99-I103 PolarHBondContact O-N 3.21Å; T99-F146 HydrophobicContact CG2-CB 4.14Å; T99-F146 HydrophobicContact CG2-CD2 3.37Å; T99-F146 HydrophobicContact CG2-CE2 4.12Å; T99-F146 HydrophobicContact CG2-CG 4.07Å; T99-F276 HydrophobicContact CG2-CE1 3.93Å; T99-F276 HydrophobicContact CG2-CZ 4.25Å; T99-E280 WeakPolarHBondContact CA-OE1 3.12Å; T99-E280 VanDerWaalsContact CB-OE1 3.27Å; T99-E280 WeakPolarHBondContact CB-OE1 3.48Å; T99-E280 WeakPolarHBondContact CG2-OE2 3.07Å; T99-E280 PolarHBondContact N-OE1 3.42Å; T99-E280 PolarHBondContact OG1-OE1 3.18Å; T99-E280 PolarHBondContact OG1-OE2 2.66Å
100L70.3Confident66.5Low7 Ų740.3 Ų40.34%0.03720%0.203CC..Hα-helixtrans-62.5-44.4175.1-177.761.5000111.5Q96 Q97 L98 S102 I103 S104 F122 L123 C126 I139Q96-L100 WeakPolarHBondContact O-CB 3.21Å; Q96-L100 PolarHBondContact O-N 2.83Å; Q97-L100 PolarHBondContact O-N 2.72Å; L98-L100 VanDerWaalsContact C-N 3.33Å; L100-S102 VanDerWaalsContact C-N 3.34Å; L100-S102 PolarHBondContact O-N 3.2Å; L100-I103 PolarHBondContact O-N 3.06Å; L100-S104 WeakPolarHBondContact O-CB 3.4Å; L100-S104 PolarHBondContact O-N 3.26Å; L100-S104 PolarHBondContact O-OG 3.15Å; L100-F122 HydrophobicContact CD1-CE1 3.88Å; L100-F122 HydrophobicContact CD2-CD1 3.67Å; L100-F122 HydrophobicContact CD2-CE1 3.85Å; L100-F122 HydrophobicContact CG-CD1 3.84Å; L100-F122 HydrophobicContact CG-CE1 3.64Å; L100-L123 HydrophobicContact CD2-CB 3.92Å; L100-L123 HydrophobicContact CD2-CD1 3.48Å; L100-L123 VanDerWaalsContact CD2-CD1 3.48Å; L100-L123 HydrophobicContact CD2-CG 4.31Å; L100-C126 HydrophobicContact CD1-CB 4.35Å; L100-C126 HydrophobicContact CD2-CB 4.05Å; L100-I139 HydrophobicContact CD1-CG2 3.32Å
101D68.8Low66.7Low25 Ų2543.9 Ų43.913%0.13422%0.221CC..Hα-helixtrans-59.4-45.9176-179.639.6000111.9Q97 L98 S104 R105 P112Q97-D101 WeakPolarHBondContact O-CB 3.49Å; Q97-D101 PolarHBondContact O-N 2.71Å; L98-D101 PolarHBondContact O-N 3.46Å; D101-S104 PolarHBondContact O-N 2.94Å; D101-R105 VanDerWaalsContact CG-NH2 3.26Å; D101-R105 WeakPolarHBondContact O-CG 3.4Å; D101-R105 PolarHBondContact O-N 3.37Å; D101-R105 IonicContact OD1-CZ 3.31Å; D101-R105 IonicContact OD1-NE 3.45Å; D101-R105 PolarHBondContact OD1-NE 3.01Å; D101-R105 IonicContact OD1-NH1 2.75Å; D101-R105 IonicContact OD1-NH2 2.96Å; D101-R105 PolarHBondContact OD1-NH2 2.49Å; D101-R105 IonicContact OD2-CZ 3.51Å; D101-R105 IonicContact OD2-NE 2.71Å; D101-R105 IonicContact OD2-NH1 3.36Å; D101-R105 PolarHBondContact OD2-NH1 3.43Å; D101-R105 IonicContact OD2-NH2 3.16Å; D101-R105 PolarHBondContact OD2-NH2 3.46Å; D101-P112 HydrophobicContact CB-CG 4.44Å; D101-P112 WeakPolarHBondContact OD1-CD 3.15Å; D101-P112 WeakPolarHBondContact OD1-CG 3.49Å
102S69.1Low66.4Low1 Ų144.3 Ų44.31%0.00723%0.225CC..Hα-helixtrans-66-42.3178-59.20000111.8L98 T99 L100 S104 C106L98-S102 WeakPolarHBondContact O-CB 3.16Å; L98-S102 PolarHBondContact O-N 3.34Å; L98-S102 PolarHBondContact O-OG 2.84Å; T99-S102 PolarHBondContact O-N 2.72Å; L100-S102 VanDerWaalsContact C-N 3.34Å; L100-S102 PolarHBondContact O-N 3.2Å; S102-S104 VanDerWaalsContact C-N 3.35Å; S102-C106 VanDerWaalsContact O-CB 3.23Å; S102-C106 WeakPolarHBondContact O-CB 3.39Å; S102-C106 PolarHBondContact O-N 2.9Å; S102-C106 PolarHBondContact O-SG 3.48Å
103I70.4Confident66.1Low8 Ų847.2 Ų47.24%0.04125%0.248CC..Hα-helixtrans-63.1-41.9173.8-70.8168.3000110.3T99 L100 C106 A107 C142 F276T99-I103 HydrophobicContact CG2-CD1 3.73Å; T99-I103 HydrophobicContact CG2-CG1 4.26Å; T99-I103 WeakPolarHBondContact O-CB 3.41Å; T99-I103 WeakPolarHBondContact O-CG1 3.02Å; T99-I103 PolarHBondContact O-N 3.21Å; L100-I103 PolarHBondContact O-N 3.06Å; I103-C106 PolarHBondContact O-N 2.94Å; I103-A107 HydrophobicContact CG2-CB 4.25Å; I103-A107 WeakPolarHBondContact O-CA 3.49Å; I103-A107 WeakPolarHBondContact O-CB 3.29Å; I103-A107 PolarHBondContact O-N 2.78Å; I103-C142 HydrophobicContact CD1-CB 4.2Å; I103-F276 HydrophobicContact CD1-CE1 4.36Å; I103-F276 HydrophobicContact CG1-CE1 3.82Å; I103-F276 HydrophobicContact CG1-CZ 3.71Å
104S67.5Low65.6Low1 Ų146.4 Ų46.41%0.00726%0.261CS..Iπ-helixtrans-61.5-47.9180-69.90000113L100 D101 S102 F108 G109 F110 F122L100-S104 WeakPolarHBondContact O-CB 3.4Å; L100-S104 PolarHBondContact O-N 3.26Å; L100-S104 PolarHBondContact O-OG 3.15Å; D101-S104 PolarHBondContact O-N 2.94Å; S102-S104 VanDerWaalsContact C-N 3.35Å; S104-F108 CarbonylContact O-C 3.53Å; S104-F108 WeakPolarHBondContact O-CA 3.35Å; S104-F108 WeakPolarHBondContact O-CB 3.28Å; S104-F108 PolarHBondContact O-N 3.24Å; S104-G109 PolarHBondContact O-N 2.94Å; S104-G109 VanDerWaalsContact O-N 3.1Å; S104-F110 CarbonylContact C-O 3.5Å; S104-F110 PolarHBondContact O-N 3.49Å; S104-F110 VanDerWaalsContact O-N 3.17Å; S104-F122 WeakPolarHBondContact OG-CE1 3.45Å; S104-F122 WeakPolarHBondContact OG-CZ 3.27Å
105R66.4Low64.8Low53 Ų5347 Ų4720%0.227%0.268CS..Iπ-helixtrans-69.1-41.9177.6-67.1-178.5-175.3128.112.7111.7T74 D101 G109 F110 E111T74-R105 HydrophobicContact CG2-CB 3.15Å; T74-R105 HydrophobicContact CG2-CG 4.14Å; D101-R105 VanDerWaalsContact CG-NH2 3.26Å; D101-R105 WeakPolarHBondContact O-CG 3.4Å; D101-R105 PolarHBondContact O-N 3.37Å; D101-R105 IonicContact OD1-CZ 3.31Å; D101-R105 IonicContact OD1-NE 3.45Å; D101-R105 PolarHBondContact OD1-NE 3.01Å; D101-R105 IonicContact OD1-NH1 2.75Å; D101-R105 IonicContact OD1-NH2 2.96Å; D101-R105 PolarHBondContact OD1-NH2 2.49Å; D101-R105 IonicContact OD2-CZ 3.51Å; D101-R105 IonicContact OD2-NE 2.71Å; D101-R105 IonicContact OD2-NH1 3.36Å; D101-R105 PolarHBondContact OD2-NH1 3.43Å; D101-R105 IonicContact OD2-NH2 3.16Å; D101-R105 PolarHBondContact OD2-NH2 3.46Å; R105-G109 VanDerWaalsContact O-CA 3.31Å; R105-G109 WeakPolarHBondContact O-CA 3.34Å; R105-G109 PolarHBondContact O-N 3.31Å; R105-F110 WeakPolarHBondContact CA-O 2.94Å; R105-F110 WeakPolarHBondContact CG-O 3.32Å; R105-F110 PolarHBondContact N-O 2.93Å; R105-E111 HydrophobicContact CG-CG 4.08Å
106C64Low64Low16 Ų1653.2 Ų53.211%0.10831%0.308CS..Iπ-helixtrans-73.7-45.5-178.2-70.60000113.2L71 T74 S102 I103L71-C106 HydrophobicContact CD2-CB 4.31Å; L71-C106 VanDerWaalsContact CD2-SG 3.56Å; T74-C106 WeakPolarHBondContact CB-SG 3.38Å; T74-C106 WeakPolarHBondContact CG2-SG 3.32Å; S102-C106 VanDerWaalsContact O-CB 3.23Å; S102-C106 WeakPolarHBondContact O-CB 3.39Å; S102-C106 PolarHBondContact O-N 2.9Å; S102-C106 PolarHBondContact O-SG 3.48Å; I103-C106 PolarHBondContact O-N 2.94Å
107A65.4Low63.2Low40 Ų4058.9 Ų58.933%0.33133%0.333SS..Iπ-helixtrans-90-34.1-172.300000113.1I103I103-A107 HydrophobicContact CG2-CB 4.25Å; I103-A107 WeakPolarHBondContact O-CA 3.49Å; I103-A107 WeakPolarHBondContact O-CB 3.29Å; I103-A107 PolarHBondContact O-N 2.78Å
108F67.1Low62.6Low116 Ų11663.1 Ų63.151%0.50935%0.35SS..Iπ-helixtrans-112.8-8.6-175.3-58.6-73.7000113.7S104 F110 W138 I139S104-F108 CarbonylContact O-C 3.53Å; S104-F108 WeakPolarHBondContact O-CA 3.35Å; S104-F108 WeakPolarHBondContact O-CB 3.28Å; S104-F108 PolarHBondContact O-N 3.24Å; F108-F110 HydrophobicContact CB-CB 4.1Å; F108-F110 PolarHBondContact O-N 3.49Å; F108-W138 HydrophobicContact CZ-CZ2 4.1Å; F108-I139 HydrophobicContact CE2-CD1 3.64Å; F108-I139 HydrophobicContact CZ-CD1 3.78Å
109G64.3Low61.8Low68 Ų6870.3 Ų70.370%0.70138%0.383SS*.  trans61.920.6-17300000112.6S104 R105S104-G109 PolarHBondContact O-N 2.94Å; S104-G109 VanDerWaalsContact O-N 3.1Å; R105-G109 VanDerWaalsContact O-CA 3.31Å; R105-G109 WeakPolarHBondContact O-CA 3.34Å; R105-G109 PolarHBondContact O-N 3.31Å
110F64.4Low60.7Low95 Ų9575 Ų7542%0.41741%0.408SS..  trans-101.9132.6-176.5-180-99.5000109.2S104 R105 F108 P112 F122S104-F110 CarbonylContact C-O 3.5Å; S104-F110 PolarHBondContact O-N 3.49Å; S104-F110 VanDerWaalsContact O-N 3.17Å; R105-F110 WeakPolarHBondContact CA-O 2.94Å; R105-F110 WeakPolarHBondContact CG-O 3.32Å; R105-F110 PolarHBondContact N-O 2.93Å; F108-F110 HydrophobicContact CB-CB 4.1Å; F108-F110 PolarHBondContact O-N 3.49Å; F110-P112 HydrophobicContact CD1-CG 4.27Å; F110-P112 HydrophobicContact CE1-CB 4.4Å; F110-P112 HydrophobicContact CE1-CG 4.37Å; F110-P112 WeakPolarHBondContact O-CD 3.39Å; F110-F122 HydrophobicContact CD1-CD2 4.04Å; F110-F122 AromaticContact CD1-CE2 3.47Å; F110-F122 HydrophobicContact CD1-CE2 3.47Å; F110-F122 VanDerWaalsContact CD1-CE2 3.47Å; F110-F122 AromaticContact CD1-CZ 3.95Å; F110-F122 HydrophobicContact CD1-CZ 3.95Å; F110-F122 AromaticContact CE1-CD2 3.38Å; F110-F122 HydrophobicContact CE1-CD2 3.38Å; F110-F122 AromaticContact CE1-CE2 3.26Å; F110-F122 HydrophobicContact CE1-CE2 3.26Å; F110-F122 HydrophobicContact CE1-CG 4.31Å; F110-F122 HydrophobicContact CE1-CZ 4.15Å; F110-F122 HydrophobicContact CZ-CD2 4.28Å; F110-F122 HydrophobicContact CZ-CE2 4.28Å
111E63.9Low60.1Low143 Ų14376.3 Ų76.367%0.66842%0.415SS*.  trans-96.7108.7171.3-74.3-179.3-177.900109.2R105 T113R105-E111 HydrophobicContact CG-CG 4.08Å; E111-T113 PolarHBondContact O-N 3.21Å
112P58.2Low59.5Low23 Ų2376.4 Ų76.415%0.14942%0.415CS..  trans-58.2119.5170.6-21.233.2000110.7D101 F110 F122D101-P112 HydrophobicContact CB-CG 4.44Å; D101-P112 WeakPolarHBondContact OD1-CD 3.15Å; D101-P112 WeakPolarHBondContact OD1-CG 3.49Å; F110-P112 HydrophobicContact CD1-CG 4.27Å; F110-P112 HydrophobicContact CE1-CB 4.4Å; F110-P112 HydrophobicContact CE1-CG 4.37Å; F110-P112 WeakPolarHBondContact O-CD 3.39Å; P112-F122 HydrophobicContact CB-CB 3.73Å; P112-F122 HydrophobicContact CB-CD1 3.82Å; P112-F122 HydrophobicContact CB-CD2 4.3Å; P112-F122 HydrophobicContact CB-CG 3.67Å; P112-F122 HydrophobicContact CG-CD1 3.69Å; P112-F122 HydrophobicContact CG-CD2 4.48Å; P112-F122 HydrophobicContact CG-CE1 3.99Å; P112-F122 HydrophobicContact CG-CG 3.96Å; P112-F122 HydrophobicContact CG-CZ 4.45Å
113T57.2Low58.9Low110 Ų11078.2 Ų78.268%0.67542%0.424SS*.  trans-80.4129.8169.745.80000109.2E111 S115E111-T113 PolarHBondContact O-N 3.21Å; T113-S115 PolarHBondContact O-N 3.26Å; T113-S115 VanDerWaalsContact O-N 3.09Å
114P53.6Low58.2Low127 Ų12779.7 Ų79.783%0.82544%0.435SS*.  trans-63.8113174.4-16.828.6000109.6
115S46.8Very low57.6Low39 Ų3984.2 Ų84.227%0.27346%0.459SS..  trans-92134.4173-174.60000110.5T113 K117 D120T113-S115 PolarHBondContact O-N 3.26Å; T113-S115 VanDerWaalsContact O-N 3.09Å; S115-K117 PolarHBondContact O-N 2.84Å; S115-K117 PolarHBondContact OG-N 3.46Å; S115-D120 WeakPolarHBondContact CB-O 3.23Å; S115-D120 VanDerWaalsContact OG-CB 3.28Å; S115-D120 WeakPolarHBondContact OG-CB 3.1Å
116P52.7Low56.9Low134 Ų13482.1 Ų82.187%0.8745%0.452SS*.SBendtrans-69.8-19.317527-32.9000113.1
117K51Low56.4Low135 Ų13583.1 Ų83.159%0.58746%0.461SS*.SBendtrans-88.1122.2176.2-69-179.2-179.7179.70109.3S115 E119 D120 D121S115-K117 PolarHBondContact O-N 2.84Å; S115-K117 PolarHBondContact OG-N 3.46Å; K117-E119 PolarHBondContact O-N 3.15Å; K117-E119 VanDerWaalsContact O-N 3.14Å; K117-D120 HydrophobicContact CB-CB 4.12Å; K117-D120 WeakPolarHBondContact CD-OD2 3.39Å; K117-D120 CarbonylContact O-C 3.5Å; K117-D120 PolarHBondContact O-N 3.23Å; K117-D121 PolarHBondContact O-N 3.47Å; K117-D121 VanDerWaalsContact O-N 3.13Å
118K53.9Low55.6Low169 Ų16983.9 Ų83.974%0.73547%0.468SS*.THydrogen-bonded Turntrans-56.7-30.9-179.3-162.5179.7-179.6-172.80112.9S124K118-S124 WeakPolarHBondContact O-CB 3.34Å; K118-S124 PolarHBondContact O-OG 3.27Å
119E51.1Low54.5Low167 Ų16782.1 Ų82.178%0.7847%0.467SS*.THydrogen-bonded Turntrans-73.9-28177.7-70.5149.2-163.800112.8K117 S124K117-E119 PolarHBondContact O-N 3.15Å; K117-E119 VanDerWaalsContact O-N 3.14Å; E119-S124 WeakPolarHBondContact O-CB 3.18Å
120D48.2Very low53.4Low97 Ų9781.1 Ų81.152%0.51944%0.443SS..THydrogen-bonded Turntrans-98.80.6-179.9-66.3-29.3000112.8S115 K117 F122S115-D120 WeakPolarHBondContact CB-O 3.23Å; S115-D120 VanDerWaalsContact OG-CB 3.28Å; S115-D120 WeakPolarHBondContact OG-CB 3.1Å; K117-D120 HydrophobicContact CB-CB 4.12Å; K117-D120 WeakPolarHBondContact CD-OD2 3.39Å; K117-D120 CarbonylContact O-C 3.5Å; K117-D120 PolarHBondContact O-N 3.23Å; D120-F122 PolarHBondContact O-N 3.01Å
121D58.2Low52.3Low35 Ų3579.3 Ų79.319%0.18745%0.446CS..SBendtrans-58.9137173.8-1742000108.4Q97 K117 L123 S124 L125Q97-D121 PolarHBondContact NE2-OD2 3.27Å; K117-D121 PolarHBondContact O-N 3.47Å; K117-D121 VanDerWaalsContact O-N 3.13Å; D121-L123 PolarHBondContact O-N 2.87Å; D121-L123 PolarHBondContact OD1-N 3.05Å; D121-S124 CarbonylContact O-C 3.32Å; D121-S124 VanDerWaalsContact O-CA 3.31Å; D121-S124 WeakPolarHBondContact O-CA 3.05Å; D121-S124 VanDerWaalsContact O-CB 3.31Å; D121-S124 WeakPolarHBondContact O-CB 3.3Å; D121-S124 PolarHBondContact O-N 3.16Å; D121-L125 PolarHBondContact O-N 2.82Å
122F55.5Low51.1Low28 Ų2879.6 Ų79.612%0.12345%0.452CS..Hα-helixtrans-55.4-28.6178.4179.3-97.4000112.1L100 S104 F110 P112 D120 L125 C126L100-F122 HydrophobicContact CD1-CE1 3.88Å; L100-F122 HydrophobicContact CD2-CD1 3.67Å; L100-F122 HydrophobicContact CD2-CE1 3.85Å; L100-F122 HydrophobicContact CG-CD1 3.84Å; L100-F122 HydrophobicContact CG-CE1 3.64Å; S104-F122 WeakPolarHBondContact OG-CE1 3.45Å; S104-F122 WeakPolarHBondContact OG-CZ 3.27Å; F110-F122 HydrophobicContact CD1-CD2 4.04Å; F110-F122 AromaticContact CD1-CE2 3.47Å; F110-F122 HydrophobicContact CD1-CE2 3.47Å; F110-F122 VanDerWaalsContact CD1-CE2 3.47Å; F110-F122 AromaticContact CD1-CZ 3.95Å; F110-F122 HydrophobicContact CD1-CZ 3.95Å; F110-F122 AromaticContact CE1-CD2 3.38Å; F110-F122 HydrophobicContact CE1-CD2 3.38Å; F110-F122 AromaticContact CE1-CE2 3.26Å; F110-F122 HydrophobicContact CE1-CE2 3.26Å; F110-F122 HydrophobicContact CE1-CG 4.31Å; F110-F122 HydrophobicContact CE1-CZ 4.15Å; F110-F122 HydrophobicContact CZ-CD2 4.28Å; F110-F122 HydrophobicContact CZ-CE2 4.28Å; P112-F122 HydrophobicContact CB-CB 3.73Å; P112-F122 HydrophobicContact CB-CD1 3.82Å; P112-F122 HydrophobicContact CB-CD2 4.3Å; P112-F122 HydrophobicContact CB-CG 3.67Å; P112-F122 HydrophobicContact CG-CD1 3.69Å; P112-F122 HydrophobicContact CG-CD2 4.48Å; P112-F122 HydrophobicContact CG-CE1 3.99Å; P112-F122 HydrophobicContact CG-CG 3.96Å; P112-F122 HydrophobicContact CG-CZ 4.45Å; D120-F122 PolarHBondContact O-N 3.01Å; F122-L125 PolarHBondContact O-N 2.68Å; F122-C126 WeakPolarHBondContact CE1-SG 3.15Å; F122-C126 WeakPolarHBondContact CZ-SG 3.44Å; F122-C126 VanDerWaalsContact O-CB 3.28Å; F122-C126 WeakPolarHBondContact O-CB 3.37Å; F122-C126 PolarHBondContact O-N 3.18Å; F122-C126 PolarHBondContact O-SG 3.33Å; F122-C126 VanDerWaalsContact O-SG 3.34Å
123L56.2Low50.2Low38 Ų3882.1 Ų82.120%0.19947%0.467CS..Hα-helixtrans-63.5-43.2169.8-178.463.4000112.3Q97 L100 D121 A127Q97-L123 HydrophobicContact CG-CD2 4.07Å; L100-L123 HydrophobicContact CD2-CB 3.92Å; L100-L123 HydrophobicContact CD2-CD1 3.48Å; L100-L123 VanDerWaalsContact CD2-CD1 3.48Å; L100-L123 HydrophobicContact CD2-CG 4.31Å; D121-L123 PolarHBondContact O-N 2.87Å; D121-L123 PolarHBondContact OD1-N 3.05Å; L123-A127 WeakPolarHBondContact O-CA 3.44Å; L123-A127 WeakPolarHBondContact O-CB 3.35Å; L123-A127 PolarHBondContact O-N 2.88Å
124S56.7Low49.3Very low40 Ų4082.5 Ų82.528%0.2847%0.469SS..Hα-helixtrans-68.7-38.1174.4-63.90000111.7K118 E119 D121 A127 A128K118-S124 WeakPolarHBondContact O-CB 3.34Å; K118-S124 PolarHBondContact O-OG 3.27Å; E119-S124 WeakPolarHBondContact O-CB 3.18Å; D121-S124 CarbonylContact O-C 3.32Å; D121-S124 VanDerWaalsContact O-CA 3.31Å; D121-S124 WeakPolarHBondContact O-CA 3.05Å; D121-S124 VanDerWaalsContact O-CB 3.31Å; D121-S124 WeakPolarHBondContact O-CB 3.3Å; D121-S124 PolarHBondContact O-N 3.16Å; S124-A127 CarbonylContact O-C 3.59Å; S124-A127 PolarHBondContact O-N 3.46Å; S124-A128 WeakPolarHBondContact O-CB 3.21Å; S124-A128 PolarHBondContact O-N 3.19Å
125L54.9Low48.9Very low95 Ų9581 Ų8150%0.49745%0.451SS..Hα-helixtrans-67.5-43.3174.3-175.966.1000111.6D121 F122 A128 T129D121-L125 PolarHBondContact O-N 2.82Å; F122-L125 PolarHBondContact O-N 2.68Å; L125-A128 PolarHBondContact O-N 3.42Å; L125-T129 WeakPolarHBondContact O-CA 3.34Å; L125-T129 WeakPolarHBondContact O-CB 3.21Å; L125-T129 PolarHBondContact O-N 3.38Å; L125-T129 PolarHBondContact O-OG1 3.3Å
126C52.5Low49Very low9 Ų981.2 Ų81.26%0.06145%0.449CS..Hα-helixtrans-62.8-47.5171.5-77.70000110.3L100 F122 A128 F130L100-C126 HydrophobicContact CD1-CB 4.35Å; L100-C126 HydrophobicContact CD2-CB 4.05Å; F122-C126 WeakPolarHBondContact CE1-SG 3.15Å; F122-C126 WeakPolarHBondContact CZ-SG 3.44Å; F122-C126 VanDerWaalsContact O-CB 3.28Å; F122-C126 WeakPolarHBondContact O-CB 3.37Å; F122-C126 PolarHBondContact O-N 3.18Å; F122-C126 PolarHBondContact O-SG 3.33Å; F122-C126 VanDerWaalsContact O-SG 3.34Å; C126-A128 VanDerWaalsContact C-N 3.25Å; C126-A128 PolarHBondContact O-N 2.98Å; C126-F130 HydrophobicContact CB-CD2 3.93Å; C126-F130 HydrophobicContact CB-CE2 4.11Å; C126-F130 WeakPolarHBondContact O-CA 3.45Å; C126-F130 WeakPolarHBondContact O-CB 3.47Å; C126-F130 WeakPolarHBondContact O-CD2 3.36Å; C126-F130 WeakPolarHBondContact O-CG 3.43Å; C126-F130 PolarHBondContact O-N 2.95Å
127A52.3Low49Very low37 Ų3776 Ų7631%0.30641%0.414SS..Hα-helixtrans-56.4-42.5176.100000110.6L123 S124 F130 A131L123-A127 WeakPolarHBondContact O-CA 3.44Å; L123-A127 WeakPolarHBondContact O-CB 3.35Å; L123-A127 PolarHBondContact O-N 2.88Å; S124-A127 CarbonylContact O-C 3.59Å; S124-A127 PolarHBondContact O-N 3.46Å; A127-F130 CarbonylContact O-C 3.44Å; A127-A131 WeakPolarHBondContact O-CA 3.31Å; A127-A131 WeakPolarHBondContact O-CB 3.03Å; A127-A131 PolarHBondContact O-N 3.2Å
128A49.3Very low49.3Very low56 Ų5672.2 Ų72.246%0.46340%0.396SS..Hα-helixtrans-73.6-53.4179.300000113.1S124 L125 C126 F130 A131 D132S124-A128 WeakPolarHBondContact O-CB 3.21Å; S124-A128 PolarHBondContact O-N 3.19Å; L125-A128 PolarHBondContact O-N 3.42Å; C126-A128 VanDerWaalsContact C-N 3.25Å; C126-A128 PolarHBondContact O-N 2.98Å; A128-F130 PolarHBondContact O-N 3.47Å; A128-A131 PolarHBondContact O-N 3.42Å; A128-D132 PolarHBondContact O-N 2.93Å
129T44.1Very low49.4Very low80 Ų8064.3 Ų64.349%0.49136%0.362SS..Hα-helixtrans-54.4-38.7177-54.90000111.1L125 T133L125-T129 WeakPolarHBondContact O-CA 3.34Å; L125-T129 WeakPolarHBondContact O-CB 3.21Å; L125-T129 PolarHBondContact O-N 3.38Å; L125-T129 PolarHBondContact O-OG1 3.3Å; T129-T133 PolarHBondContact O-OG1 2.88Å
130F41.5Very low49.7Very low47 Ų4760.9 Ų60.921%0.20635%0.345CS..Hα-helixtrans-99.3-4.1179-55.4-66.3000114C126 A127 A128 T133 N137 I139C126-F130 HydrophobicContact CB-CD2 3.93Å; C126-F130 HydrophobicContact CB-CE2 4.11Å; C126-F130 WeakPolarHBondContact O-CA 3.45Å; C126-F130 WeakPolarHBondContact O-CB 3.47Å; C126-F130 WeakPolarHBondContact O-CD2 3.36Å; C126-F130 WeakPolarHBondContact O-CG 3.43Å; C126-F130 PolarHBondContact O-N 2.95Å; A127-F130 CarbonylContact O-C 3.44Å; A128-F130 PolarHBondContact O-N 3.47Å; F130-T133 WeakPolarHBondContact CA-OG1 3.18Å; F130-N137 HydrophobicContact CB-CB 3.9Å; F130-N137 VanDerWaalsContact CB-ND2 3.31Å; F130-N137 WeakPolarHBondContact CB-ND2 3.15Å; F130-N137 WeakPolarHBondContact CB-OD1 2.96Å; F130-I139 HydrophobicContact CD2-CD1 4.13Å; F130-I139 HydrophobicContact CE1-CD1 4.1Å; F130-I139 HydrophobicContact CE2-CD1 3.41Å; F130-I139 VanDerWaalsContact CE2-CD1 3.41Å; F130-I139 HydrophobicContact CZ-CD1 3.39Å
131A39.9Very low50.1Low56 Ų5659.7 Ų59.746%0.46334%0.341SS..Hα-helixtrans-79.5-39.617100000110.7A127 A128 T133 T134A127-A131 WeakPolarHBondContact O-CA 3.31Å; A127-A131 WeakPolarHBondContact O-CB 3.03Å; A127-A131 PolarHBondContact O-N 3.2Å; A128-A131 PolarHBondContact O-N 3.42Å; A131-T133 PolarHBondContact O-N 2.75Å; A131-T134 WeakPolarHBondContact O-CG2 3.2Å; A131-T134 PolarHBondContact O-N 3.2Å
132D38.8Very low50.2Low149 Ų14959.3 Ų59.380%0.79734%0.341SS*.SBendtrans-68.7-21.5176.3-106.60.2000112.3A128 T134A128-D132 PolarHBondContact O-N 2.93Å; D132-T134 PolarHBondContact O-N 2.81Å; D132-T134 VanDerWaalsContact O-N 3.16Å
133T39.6Very low50.5Low77 Ų7758.1 Ų58.147%0.47234%0.336SS..SBendtrans-85.275.2160.821.40000108.6T129 F130 A131 Q135 D136T129-T133 PolarHBondContact O-OG1 2.88Å; F130-T133 WeakPolarHBondContact CA-OG1 3.18Å; A131-T133 PolarHBondContact O-N 2.75Å; T133-Q135 PolarHBondContact O-N 3.27Å; T133-D136 PolarHBondContact O-N 3.02Å
134T39.4Very low50.9Low117 Ų11757.4 Ų57.472%0.71833%0.334SS*.THydrogen-bonded Turntrans-56.620-170.449.90000117.4A131 D132A131-T134 WeakPolarHBondContact O-CG2 3.2Å; A131-T134 PolarHBondContact O-N 3.2Å; D132-T134 PolarHBondContact O-N 2.81Å; D132-T134 VanDerWaalsContact O-N 3.16Å
135Q44.8Very low51.5Low96 Ų9657.5 Ų57.545%0.44933%0.331SS..THydrogen-bonded Turntrans-158-12.3167.5-122147.780.700117.9L35 T133L35-Q135 VanDerWaalsContact CB-OE1 3.3Å; T133-Q135 PolarHBondContact O-N 3.27Å
136D48Very low52.4Low43 Ų4353.9 Ų53.923%0.2331%0.312CS..  trans-112.829.2-170-78-3.6000113H46 T133 W138H46-D136 IonicContact CD2-OD2 3.76Å; H46-D136 PolarHBondContact CD2-OD2 3.27Å; H46-D136 VanDerWaalsContact CD2-OD2 3.32Å; H46-D136 IonicContact NE2-OD1 3.72Å; H46-D136 IonicContact NE2-OD2 3.32Å; T133-D136 PolarHBondContact O-N 3.02Å; D136-W138 PolarHBondContact O-N 3.16Å
137N53.7Low53.2Low26 Ų2653.5 Ų53.514%0.13931%0.309CS..  trans-73.260.9177.4-163.2-11.6000112.1F130 I139 F140 T141F130-N137 HydrophobicContact CB-CB 3.9Å; F130-N137 VanDerWaalsContact CB-ND2 3.31Å; F130-N137 WeakPolarHBondContact CB-ND2 3.15Å; F130-N137 WeakPolarHBondContact CB-OD1 2.96Å; N137-I139 PolarHBondContact O-N 3.31Å; N137-F140 HydrophobicContact CB-CB 4.2Å; N137-F140 VanDerWaalsContact ND2-CB 3.3Å; N137-F140 WeakPolarHBondContact ND2-CB 2.81Å; N137-F140 PolarHBondContact O-N 3.07Å; N137-F140 WeakPolarHBondContact OD1-CB 3.34Å; N137-F140 PolarHBondContact OD1-N 3.03Å; N137-T141 PolarHBondContact O-N 2.74Å; N137-T141 PolarHBondContact O-OG1 3.36Å; N137-T141 VanDerWaalsContact O-OG1 3.14Å
138W56.4Low54.3Low54 Ų5452.7 Ų52.721%0.20530%0.299CS..Hα-helixtrans-61.5-26.5-177.969.2-89.5000112.3H46 F48 F108 D136 C142H46-W138 AromaticContact CG-CD1 3.94Å; H46-W138 AromaticContact ND1-CD1 3.36Å; H46-W138 AromaticContact ND1-CG 3.65Å; F48-W138 HydrophobicContact CD2-CB 3.91Å; F48-W138 AromaticContact CD2-CD2 3.89Å; F48-W138 HydrophobicContact CD2-CD2 3.89Å; F48-W138 HydrophobicContact CD2-CE3 4.09Å; F48-W138 AromaticContact CD2-CG 3.82Å; F48-W138 HydrophobicContact CD2-CG 3.82Å; F48-W138 HydrophobicContact CE2-CB 4.26Å; F48-W138 AromaticContact CE2-CD2 3.46Å; F48-W138 HydrophobicContact CE2-CD2 3.46Å; F48-W138 VanDerWaalsContact CE2-CD2 3.46Å; F48-W138 AromaticContact CE2-CE3 3.27Å; F48-W138 HydrophobicContact CE2-CE3 3.27Å; F48-W138 AromaticContact CE2-CG 3.92Å; F48-W138 HydrophobicContact CE2-CG 3.92Å; F48-W138 HydrophobicContact CE2-CH2 4.44Å; F48-W138 AromaticContact CE2-CZ3 3.8Å; F48-W138 HydrophobicContact CE2-CZ3 3.8Å; F48-W138 AromaticContact CZ-CE3 3.94Å; F48-W138 HydrophobicContact CZ-CE3 3.94Å; F48-W138 HydrophobicContact CZ-CZ3 4.22Å; F108-W138 HydrophobicContact CZ-CZ2 4.1Å; D136-W138 PolarHBondContact O-N 3.16Å; W138-C142 VanDerWaalsContact O-CB 3.22Å; W138-C142 WeakPolarHBondContact O-CB 3.33Å; W138-C142 PolarHBondContact O-N 2.94Å; W138-C142 PolarHBondContact O-SG 3.24Å
139I55.8Low55.9Low3 Ų350.1 Ų50.12%0.01528%0.278CS..Hα-helixtrans-68.6-49.4176.3-68.7163.2000110.2L100 F108 F130 N137 T141 C142 S143L100-I139 HydrophobicContact CD1-CG2 3.32Å; F108-I139 HydrophobicContact CE2-CD1 3.64Å; F108-I139 HydrophobicContact CZ-CD1 3.78Å; F130-I139 HydrophobicContact CD2-CD1 4.13Å; F130-I139 HydrophobicContact CE1-CD1 4.1Å; F130-I139 HydrophobicContact CE2-CD1 3.41Å; F130-I139 VanDerWaalsContact CE2-CD1 3.41Å; F130-I139 HydrophobicContact CZ-CD1 3.39Å; N137-I139 PolarHBondContact O-N 3.31Å; I139-T141 VanDerWaalsContact C-N 3.33Å; I139-T141 PolarHBondContact O-N 2.9Å; I139-C142 PolarHBondContact O-N 3.4Å; I139-S143 PolarHBondContact O-N 2.86Å
140F57.9Low57.8Low95 Ų9546.4 Ų46.442%0.41726%0.255SS..Hα-helixtrans-62-42.8175.5-177-96000111.4N137 C142 S143 S144N137-F140 HydrophobicContact CB-CB 4.2Å; N137-F140 VanDerWaalsContact ND2-CB 3.3Å; N137-F140 WeakPolarHBondContact ND2-CB 2.81Å; N137-F140 PolarHBondContact O-N 3.07Å; N137-F140 WeakPolarHBondContact OD1-CB 3.34Å; N137-F140 PolarHBondContact OD1-N 3.03Å; F140-C142 PolarHBondContact O-N 3.23Å; F140-S143 PolarHBondContact O-N 3.25Å; F140-S144 WeakPolarHBondContact O-CB 3.42Å; F140-S144 PolarHBondContact O-N 3.09Å; F140-S144 PolarHBondContact O-OG 3.37Å
141T57.7Low59.7Low72 Ų7244.2 Ų44.244%0.44225%0.246SC..Hα-helixtrans-59.8-46.3174.8-57.70000111.1N137 I139 S144 I145N137-T141 PolarHBondContact O-N 2.74Å; N137-T141 PolarHBondContact O-OG1 3.36Å; N137-T141 VanDerWaalsContact O-OG1 3.14Å; I139-T141 VanDerWaalsContact C-N 3.33Å; I139-T141 PolarHBondContact O-N 2.9Å; T141-S144 PolarHBondContact O-N 3.47Å; T141-S144 PolarHBondContact O-OG 3.41Å; T141-I145 HydrophobicContact CG2-CD1 3.85Å; T141-I145 WeakPolarHBondContact O-CB 3.3Å; T141-I145 WeakPolarHBondContact O-CG1 3.49Å; T141-I145 PolarHBondContact O-N 3.44Å; T141-I145 VanDerWaalsContact O-N 3.09Å
142C59.9Low61.9Low28 Ų2842.8 Ų42.819%0.18923%0.229CC..Hα-helixtrans-58.5-52.9175.7-81.50000111.6I103 W138 I139 F140 S144 I145 F146I103-C142 HydrophobicContact CD1-CB 4.2Å; W138-C142 VanDerWaalsContact O-CB 3.22Å; W138-C142 WeakPolarHBondContact O-CB 3.33Å; W138-C142 PolarHBondContact O-N 2.94Å; W138-C142 PolarHBondContact O-SG 3.24Å; I139-C142 PolarHBondContact O-N 3.4Å; F140-C142 PolarHBondContact O-N 3.23Å; C142-S144 PolarHBondContact O-N 2.87Å; C142-I145 PolarHBondContact O-N 2.87Å; C142-F146 HydrophobicContact CB-CD2 4.5Å; C142-F146 HydrophobicContact CB-CE2 3.99Å; C142-F146 WeakPolarHBondContact O-CD2 3.35Å; C142-F146 WeakPolarHBondContact O-CE2 3.39Å; C142-F146 WeakPolarHBondContact O-CG 3.35Å; C142-F146 PolarHBondContact O-N 2.61Å; C142-F146 VanDerWaalsContact O-N 3.16Å
143S61Low64.4Low3 Ų335.7 Ų35.72%0.02119%0.191CC..Hα-helixtrans-55.2-49.9178.1170.50000111.5Q96 I139 F140 I145 F146 D147Q96-S143 WeakPolarHBondContact CA-OG 2.81Å; Q96-S143 PolarHBondContact O-OG 2.93Å; I139-S143 PolarHBondContact O-N 2.86Å; F140-S143 PolarHBondContact O-N 3.25Å; S143-I145 VanDerWaalsContact C-N 3.3Å; S143-I145 PolarHBondContact O-N 3.48Å; S143-F146 PolarHBondContact O-N 3.25Å; S143-F146 VanDerWaalsContact O-N 3.07Å; S143-D147 PolarHBondContact O-N 2.86Å; S143-D147 VanDerWaalsContact O-OD2 3.06Å
144S65.7Low66.7Low23 Ų2332 Ų3216%0.16117%0.168CC..Hα-helixtrans-60-36.3-179.571.20000113.9F140 T141 C142 D147 N148F140-S144 WeakPolarHBondContact O-CB 3.42Å; F140-S144 PolarHBondContact O-N 3.09Å; F140-S144 PolarHBondContact O-OG 3.37Å; T141-S144 PolarHBondContact O-N 3.47Å; T141-S144 PolarHBondContact O-OG 3.41Å; C142-S144 PolarHBondContact O-N 2.87Å; S144-D147 WeakPolarHBondContact CA-OD2 3.44Å; S144-N148 PolarHBondContact O-N 3.43Å; S144-N148 PolarHBondContact O-ND2 3.48Å; S144-N148 PolarHBondContact O-OD1 3.05Å
145I68.7Low68.9Low42 Ų4226.9 Ų26.922%0.21514%0.136CC..Hα-helixtrans-67.6-39.7177.7-73.2172.6000110.4T141 C142 S143 A149 V198T141-I145 HydrophobicContact CG2-CD1 3.85Å; T141-I145 WeakPolarHBondContact O-CB 3.3Å; T141-I145 WeakPolarHBondContact O-CG1 3.49Å; T141-I145 PolarHBondContact O-N 3.44Å; T141-I145 VanDerWaalsContact O-N 3.09Å; C142-I145 PolarHBondContact O-N 2.87Å; S143-I145 VanDerWaalsContact C-N 3.3Å; S143-I145 PolarHBondContact O-N 3.48Å; I145-A149 PolarHBondContact O-N 3.22Å; I145-V198 HydrophobicContact CG2-CB 3.76Å; I145-V198 HydrophobicContact CG2-CG2 3.35Å
146F73Confident71.1Confident19 Ų1922.4 Ų22.48%0.08312%0.115CC..Hα-helixtrans-69.2-44.1178.4-64.3-51.7000112.7T99 C142 S143 N148 A149 L150 F276 A277T99-F146 HydrophobicContact CG2-CB 4.14Å; T99-F146 HydrophobicContact CG2-CD2 3.37Å; T99-F146 HydrophobicContact CG2-CE2 4.12Å; T99-F146 HydrophobicContact CG2-CG 4.07Å; C142-F146 HydrophobicContact CB-CD2 4.5Å; C142-F146 HydrophobicContact CB-CE2 3.99Å; C142-F146 WeakPolarHBondContact O-CD2 3.35Å; C142-F146 WeakPolarHBondContact O-CE2 3.39Å; C142-F146 WeakPolarHBondContact O-CG 3.35Å; C142-F146 PolarHBondContact O-N 2.61Å; C142-F146 VanDerWaalsContact O-N 3.16Å; S143-F146 PolarHBondContact O-N 3.25Å; S143-F146 VanDerWaalsContact O-N 3.07Å; F146-N148 PolarHBondContact O-N 3.28Å; F146-A149 PolarHBondContact O-N 2.82Å; F146-L150 PolarHBondContact O-N 2.94Å; F146-F276 HydrophobicContact CD2-CE1 4.48Å; F146-F276 HydrophobicContact CE2-CD1 4.21Å; F146-F276 HydrophobicContact CE2-CE1 4.08Å; F146-F276 HydrophobicContact CZ-CD1 4.22Å; F146-A277 HydrophobicContact CD1-CB 3.76Å; F146-A277 HydrophobicContact CE1-CB 3.09Å; F146-A277 HydrophobicContact CZ-CB 3.84Å
147D70.2Confident73.3Confident0 Ų020.4 Ų20.40%010%0.104CC..Hα-helixtrans-62.2-38.1179.2-35.7-51.4000111.4R92 F95 Q96 S143 S144 L150 S151R92-D147 HydrophobicContact CG-CB 3.86Å; F95-D147 HydrophobicContact CB-CB 4.05Å; F95-D147 WeakPolarHBondContact CB-OD1 3.17Å; Q96-D147 VanDerWaalsContact CA-OD1 3.3Å; Q96-D147 WeakPolarHBondContact CA-OD1 3.5Å; Q96-D147 VanDerWaalsContact CD-OD2 3.3Å; Q96-D147 HydrophobicContact CG-CB 4.48Å; Q96-D147 WeakPolarHBondContact CG-OD1 3.1Å; Q96-D147 WeakPolarHBondContact CG-OD2 3.48Å; Q96-D147 PolarHBondContact N-OD1 2.9Å; Q96-D147 PolarHBondContact NE2-OD2 3.38Å; S143-D147 PolarHBondContact O-N 2.86Å; S143-D147 VanDerWaalsContact O-OD2 3.06Å; S144-D147 WeakPolarHBondContact CA-OD2 3.44Å; D147-L150 PolarHBondContact O-N 3.34Å; D147-S151 VanDerWaalsContact O-CB 3.23Å; D147-S151 WeakPolarHBondContact O-CB 3.49Å; D147-S151 PolarHBondContact O-N 3.48Å; D147-S151 PolarHBondContact O-OG 3.37Å
148N74.4Confident75Confident21 Ų2119.4 Ų19.411%0.11210%0.1CC..Hα-helixtrans-63.9-47.3178.3-64.8-16.7000109.8S144 F146 L150 S151 Y152 V198 P318S144-N148 PolarHBondContact O-N 3.43Å; S144-N148 PolarHBondContact O-ND2 3.48Å; S144-N148 PolarHBondContact O-OD1 3.05Å; F146-N148 PolarHBondContact O-N 3.28Å; N148-L150 PolarHBondContact O-N 2.98Å; N148-S151 WeakPolarHBondContact O-CB 3.38Å; N148-S151 PolarHBondContact O-N 2.8Å; N148-Y152 HydrophobicContact CB-CD2 4.44Å; N148-Y152 HydrophobicContact CB-CE2 4.06Å; N148-Y152 WeakPolarHBondContact O-CD2 3.39Å; N148-Y152 PolarHBondContact O-N 3.41Å; N148-V198 HydrophobicContact CB-CG1 4Å; N148-P318 HydrophobicContact CB-CB 4.46Å; N148-P318 WeakPolarHBondContact ND2-CB 3.45Å; N148-P318 WeakPolarHBondContact OD1-CB 3.43Å
149A83.8Confident76.6Confident2 Ų220.2 Ų20.22%0.01710%0.102CC..Hα-helixtrans-59.3-44.1177.500000112.5I145 F146 Y152 A153 L193 V198 M281I145-A149 PolarHBondContact O-N 3.22Å; F146-A149 PolarHBondContact O-N 2.82Å; A149-Y152 PolarHBondContact O-N 3Å; A149-A153 PolarHBondContact O-N 3.27Å; A149-L193 HydrophobicContact CB-CD2 3.72Å; A149-V198 HydrophobicContact CB-CG2 4.44Å; A149-M281 HydrophobicContact CB-CE 3.85Å; A149-M281 HydrophobicContact CB-SD 4.05Å
150L84.2Confident78.4Confident1 Ų121.3 Ų21.31%0.00511%0.108CC..Hα-helixtrans-64.6-41174.6-82.6170000112.6F95 F146 D147 N148 Y152 A153 I154 M281 T284 L285F95-L150 HydrophobicContact CB-CD1 4.15Å; F95-L150 HydrophobicContact CD1-CD1 3.89Å; F95-L150 HydrophobicContact CD2-CB 3.6Å; F95-L150 HydrophobicContact CD2-CD1 3.76Å; F95-L150 HydrophobicContact CD2-CG 4.32Å; F95-L150 HydrophobicContact CE1-CD1 4.07Å; F95-L150 HydrophobicContact CE2-CB 3.37Å; F95-L150 HydrophobicContact CE2-CD1 3.92Å; F95-L150 HydrophobicContact CE2-CG 4.16Å; F95-L150 HydrophobicContact CG-CB 4.39Å; F95-L150 HydrophobicContact CG-CD1 3.68Å; F95-L150 HydrophobicContact CZ-CB 3.99Å; F95-L150 HydrophobicContact CZ-CD1 3.98Å; F95-L150 HydrophobicContact CZ-CD2 4.41Å; F95-L150 HydrophobicContact CZ-CG 4.37Å; F146-L150 PolarHBondContact O-N 2.94Å; D147-L150 PolarHBondContact O-N 3.34Å; N148-L150 PolarHBondContact O-N 2.98Å; L150-Y152 VanDerWaalsContact C-N 3.34Å; L150-A153 PolarHBondContact O-N 3.5Å; L150-I154 WeakPolarHBondContact O-CB 3.44Å; L150-I154 VanDerWaalsContact O-CG1 3.3Å; L150-I154 WeakPolarHBondContact O-CG1 3.41Å; L150-I154 PolarHBondContact O-N 3.37Å; L150-M281 HydrophobicContact CD2-CB 4.2Å; L150-M281 HydrophobicContact CD2-CG 4.02Å; L150-M281 HydrophobicContact CG-CG 4.06Å; L150-T284 HydrophobicContact CD1-CG2 4.02Å; L150-T284 HydrophobicContact CD2-CG2 3.89Å; L150-L285 HydrophobicContact CD2-CD2 4.32Å; L150-L285 HydrophobicContact CD2-CG 4.08Å
151S81Confident80.1Confident2 Ų220.1 Ų20.11%0.01411%0.109CC..Hα-helixtrans-62.6-42.5177.8-60.50000111.1D147 N148 I154 Y155D147-S151 VanDerWaalsContact O-CB 3.23Å; D147-S151 WeakPolarHBondContact O-CB 3.49Å; D147-S151 PolarHBondContact O-N 3.48Å; D147-S151 PolarHBondContact O-OG 3.37Å; N148-S151 WeakPolarHBondContact O-CB 3.38Å; N148-S151 PolarHBondContact O-N 2.8Å; S151-I154 PolarHBondContact O-N 3.16Å; S151-Y155 WeakPolarHBondContact O-CB 3.41Å; S151-Y155 PolarHBondContact O-N 3.05Å
152Y86.3Confident82Confident26 Ų2622.4 Ų22.410%0.10212%0.115CC..Hα-helixtrans-64.6-43.4174.5-68.9-55.8000112.3N148 A149 L150 I154 Y155 E156 Y196 V198 I319N148-Y152 HydrophobicContact CB-CD2 4.44Å; N148-Y152 HydrophobicContact CB-CE2 4.06Å; N148-Y152 WeakPolarHBondContact O-CD2 3.39Å; N148-Y152 PolarHBondContact O-N 3.41Å; A149-Y152 PolarHBondContact O-N 3Å; L150-Y152 VanDerWaalsContact C-N 3.34Å; Y152-I154 VanDerWaalsContact C-N 3.28Å; Y152-I154 PolarHBondContact O-N 3.36Å; Y152-Y155 PolarHBondContact O-N 2.85Å; Y152-E156 WeakPolarHBondContact O-CG 3.43Å; Y152-E156 PolarHBondContact O-N 3.18Å; Y152-Y196 AromaticContact CD1-CD1 3.45Å; Y152-Y196 HydrophobicContact CD1-CD1 3.45Å; Y152-Y196 VanDerWaalsContact CD1-CD1 3.45Å; Y152-Y196 HydrophobicContact CD1-CD2 4.09Å; Y152-Y196 AromaticContact CD1-CE1 3.66Å; Y152-Y196 HydrophobicContact CD1-CE1 3.66Å; Y152-Y196 HydrophobicContact CD1-CE2 4.29Å; Y152-Y196 AromaticContact CD1-CG 3.68Å; Y152-Y196 HydrophobicContact CD1-CG 3.68Å; Y152-Y196 VanDerWaalsContact CD2-CB 3.43Å; Y152-Y196 HydrophobicContact CD2-CD1 4.08Å; Y152-Y196 HydrophobicContact CD2-CD2 4.44Å; Y152-Y196 AromaticContact CD2-CG 3.74Å; Y152-Y196 HydrophobicContact CD2-CG 3.74Å; Y152-Y196 AromaticContact CE1-CD1 3.53Å; Y152-Y196 HydrophobicContact CE1-CD1 3.53Å; Y152-Y196 AromaticContact CE1-CE1 3.82Å; Y152-Y196 HydrophobicContact CE1-CE1 3.82Å; Y152-Y196 HydrophobicContact CE1-CG 4.14Å; Y152-Y196 HydrophobicContact CE2-CD1 4.17Å; Y152-Y196 HydrophobicContact CE2-CG 4.21Å; Y152-Y196 AromaticContact CG-CD1 3.76Å; Y152-Y196 HydrophobicContact CG-CD1 3.76Å; Y152-Y196 AromaticContact CG-CD2 3.83Å; Y152-Y196 HydrophobicContact CG-CD2 3.83Å; Y152-Y196 HydrophobicContact CG-CE1 4.32Å; Y152-Y196 HydrophobicContact CG-CE2 4.41Å; Y152-Y196 AromaticContact CG-CG 3.47Å; Y152-Y196 HydrophobicContact CG-CG 3.47Å; Y152-Y196 VanDerWaalsContact CG-CG 3.47Å; Y152-Y196 AromaticContact CZ-CD1 3.92Å; Y152-V198 HydrophobicContact CD2-CG1 4.4Å; Y152-V198 HydrophobicContact CE2-CG1 4.17Å; Y152-I319 HydrophobicContact CD1-CD1 4.24Å; Y152-I319 HydrophobicContact CE1-CB 3.85Å; Y152-I319 HydrophobicContact CE1-CD1 3.57Å; Y152-I319 HydrophobicContact CE1-CG1 3.63Å
153A90.8Very high83.8Confident0 Ų021.7 Ų21.70%011%0.109CC..Hα-helixtrans-58.8-44.5176.700000110.9A149 L150 E156 L157 T192 L285A149-A153 PolarHBondContact O-N 3.27Å; L150-A153 PolarHBondContact O-N 3.5Å; A153-E156 PolarHBondContact O-N 3.33Å; A153-L157 WeakPolarHBondContact O-CB 3.37Å; A153-L157 WeakPolarHBondContact O-CD1 3.31Å; A153-L157 WeakPolarHBondContact O-CG 3.5Å; A153-L157 PolarHBondContact O-N 3.32Å; A153-T192 HydrophobicContact CB-CG2 3.85Å; A153-T192 VanDerWaalsContact N-CG2 3.32Å; A153-L285 HydrophobicContact CB-CD1 4.04Å; A153-L285 HydrophobicContact CB-CD2 4.2Å
154I88.4Confident85.5Confident0 Ų021.9 Ų21.90%011%0.11CC..Hα-helixtrans-68.4-39.3-179.4-73.1169.2000111.8L91 F95 L150 S151 Y152 A158 L285 L288 I294 L323 L339L91-I154 HydrophobicContact CD2-CD1 3.18Å; F95-I154 HydrophobicContact CE2-CD1 3.77Å; F95-I154 HydrophobicContact CZ-CD1 3.59Å; L150-I154 WeakPolarHBondContact O-CB 3.44Å; L150-I154 VanDerWaalsContact O-CG1 3.3Å; L150-I154 WeakPolarHBondContact O-CG1 3.41Å; L150-I154 PolarHBondContact O-N 3.37Å; S151-I154 PolarHBondContact O-N 3.16Å; Y152-I154 VanDerWaalsContact C-N 3.28Å; Y152-I154 PolarHBondContact O-N 3.36Å; I154-A158 WeakPolarHBondContact O-CB 3.4Å; I154-A158 PolarHBondContact O-N 3Å; I154-L285 HydrophobicContact CD1-CD2 4.34Å; I154-L285 HydrophobicContact CG1-CD2 3.77Å; I154-L288 HydrophobicContact CD1-CD2 3.53Å; I154-L288 HydrophobicContact CG1-CD2 4Å; I154-I294 HydrophobicContact CB-CD1 4.39Å; I154-I294 HydrophobicContact CG1-CD1 4.19Å; I154-I294 HydrophobicContact CG2-CD1 3.68Å; I154-I294 HydrophobicContact CG2-CG2 4.07Å; I154-L323 HydrophobicContact CG2-CD1 4.27Å; I154-L339 HydrophobicContact CG2-CD1 3.57Å
155Y86Confident86.9Confident9 Ų924.7 Ų24.74%0.03512%0.12CC..Hα-helixtrans-61.3-48.2173.3173.1-107.7000111.9S151 Y152 L157 A158 R159 L296 T300 V337S151-Y155 WeakPolarHBondContact O-CB 3.41Å; S151-Y155 PolarHBondContact O-N 3.05Å; Y152-Y155 PolarHBondContact O-N 2.85Å; Y155-L157 VanDerWaalsContact C-N 3.34Å; Y155-L157 PolarHBondContact O-N 2.8Å; Y155-A158 PolarHBondContact O-N 2.75Å; Y155-R159 WeakPolarHBondContact O-CB 3.38Å; Y155-R159 PolarHBondContact O-N 3.16Å; Y155-L296 HydrophobicContact CD2-CD2 4.36Å; Y155-L296 HydrophobicContact CE2-CD2 4.18Å; Y155-T300 HydrophobicContact CE2-CG2 4.31Å; Y155-V337 HydrophobicContact CD2-CB 4.49Å; Y155-V337 HydrophobicContact CD2-CG1 3.49Å; Y155-V337 VanDerWaalsContact CD2-CG1 3.49Å; Y155-V337 HydrophobicContact CD2-CG2 4.34Å; Y155-V337 HydrophobicContact CE2-CG1 3.88Å; Y155-V337 HydrophobicContact CE2-CG2 4.27Å
156E91Very high88.2Confident2 Ų227.8 Ų27.81%0.00913%0.132CC..Hα-helixtrans-65.4-37.6179.3-71.3-57.7158.700112.5Y152 A153 A158 R159 H160 Y196 F243Y152-E156 WeakPolarHBondContact O-CG 3.43Å; Y152-E156 PolarHBondContact O-N 3.18Å; A153-E156 PolarHBondContact O-N 3.33Å; E156-A158 VanDerWaalsContact C-N 3.34Å; E156-A158 PolarHBondContact O-N 2.92Å; E156-R159 PolarHBondContact O-N 3.33Å; E156-H160 WeakPolarHBondContact O-CB 3.35Å; E156-H160 PolarHBondContact O-N 2.88Å; E156-H160 PolarHBondContact O-ND1 3.19Å; E156-H160 IonicContact OE2-CE1 2.97Å; E156-H160 PolarHBondContact OE2-CE1 3.27Å; E156-H160 IonicContact OE2-ND1 2.69Å; E156-H160 PolarHBondContact OE2-ND1 2.87Å; E156-Y196 HydrophobicContact CG-CE2 3.78Å; E156-Y196 WeakPolarHBondContact OE1-CE2 3.43Å; E156-Y196 PolarHBondContact OE1-OH 2.98Å; E156-F243 HydrophobicContact CB-CD1 3.91Å; E156-F243 HydrophobicContact CB-CD2 4.02Å; E156-F243 HydrophobicContact CB-CE1 3.79Å; E156-F243 HydrophobicContact CB-CE2 3.91Å; E156-F243 HydrophobicContact CB-CG 4.02Å; E156-F243 HydrophobicContact CB-CZ 3.79Å; E156-F243 HydrophobicContact CG-CD1 4.46Å; E156-F243 HydrophobicContact CG-CD2 3.83Å; E156-F243 HydrophobicContact CG-CE2 4.02Å; E156-F243 HydrophobicContact CG-CG 4.07Å; E156-F243 HydrophobicContact CG-CZ 4.41Å
157L93.7Very high89.3Confident0 Ų026.9 Ų26.90%013%0.128CC..Hα-helixtrans-65.8-35.4173.7-71.7167.1000112.5A153 Y155 R159 H160 I163 Q164 L167 V188 L285 L289A153-L157 WeakPolarHBondContact O-CB 3.37Å; A153-L157 WeakPolarHBondContact O-CD1 3.31Å; A153-L157 WeakPolarHBondContact O-CG 3.5Å; A153-L157 PolarHBondContact O-N 3.32Å; Y155-L157 VanDerWaalsContact C-N 3.34Å; Y155-L157 PolarHBondContact O-N 2.8Å; L157-R159 VanDerWaalsContact C-N 3.32Å; L157-H160 CarbonylContact O-C 3.43Å; L157-I163 HydrophobicContact CD2-CG2 4.09Å; L157-Q164 HydrophobicContact CB-CB 4.41Å; L157-Q164 HydrophobicContact CB-CG 4.3Å; L157-Q164 HydrophobicContact CD2-CB 4.23Å; L157-Q164 HydrophobicContact CD2-CG 4.46Å; L157-Q164 WeakPolarHBondContact O-CB 3.36Å; L157-Q164 PolarHBondContact O-NE2 2.92Å; L157-L167 HydrophobicContact CD1-CD2 4.14Å; L157-L167 HydrophobicContact CD2-CD2 3.82Å; L157-V188 HydrophobicContact CD1-CG1 4.45Å; L157-V188 HydrophobicContact CD2-CG1 4.11Å; L157-V188 HydrophobicContact CG-CG1 4.38Å; L157-L285 HydrophobicContact CD1-CD2 4.17Å; L157-L289 HydrophobicContact CD1-CD1 3.92Å
158A89.6Confident90.5Very high6 Ų628.2 Ų28.25%0.0513%0.133CC..Hα-helixtrans-70-32.2174.600000112I154 Y155 E156 I294 L296 L339I154-A158 WeakPolarHBondContact O-CB 3.4Å; I154-A158 PolarHBondContact O-N 3Å; Y155-A158 PolarHBondContact O-N 2.75Å; E156-A158 VanDerWaalsContact C-N 3.34Å; E156-A158 PolarHBondContact O-N 2.92Å; A158-I294 HydrophobicContact CB-CB 4.41Å; A158-I294 HydrophobicContact CB-CG2 3.99Å; A158-L296 HydrophobicContact CB-CD2 3.98Å; A158-L296 HydrophobicContact CB-CG 4.35Å; A158-L339 HydrophobicContact CB-CD1 4.12Å; A158-L339 HydrophobicContact CB-CD2 3.84Å
159R88.6Confident91.4Very high70 Ų7029.2 Ų29.226%0.26415%0.149SC..Hα-helixtrans-77.5-24.6177.6-172.1177.3169.4-153.9-8.5113.4Y155 E156 L157 P161 L296Y155-R159 WeakPolarHBondContact O-CB 3.38Å; Y155-R159 PolarHBondContact O-N 3.16Å; E156-R159 PolarHBondContact O-N 3.33Å; L157-R159 VanDerWaalsContact C-N 3.32Å; R159-P161 WeakPolarHBondContact O-CD 3.29Å; R159-L296 HydrophobicContact CB-CD1 4.43Å
160H94.4Very high91.8Very high27 Ų2730.7 Ų30.713%0.12516%0.155CC..  trans-122.878.7-178.4-59.592.3000111.4E156 L157 E162 I163 Q164 F243E156-H160 WeakPolarHBondContact O-CB 3.35Å; E156-H160 PolarHBondContact O-N 2.88Å; E156-H160 PolarHBondContact O-ND1 3.19Å; E156-H160 IonicContact OE2-CE1 2.97Å; E156-H160 PolarHBondContact OE2-CE1 3.27Å; E156-H160 IonicContact OE2-ND1 2.69Å; E156-H160 PolarHBondContact OE2-ND1 2.87Å; L157-H160 CarbonylContact O-C 3.43Å; H160-E162 WeakPolarHBondContact CB-OE1 3.26Å; H160-E162 IonicContact CD2-OE1 3.99Å; H160-E162 IonicContact CG-OE1 2.83Å; H160-E162 PolarHBondContact O-N 2.75Å; H160-I163 HydrophobicContact CB-CB 3.89Å; H160-I163 HydrophobicContact CB-CD1 3.71Å; H160-I163 HydrophobicContact CB-CG1 3.98Å; H160-I163 PolarHBondContact O-N 2.92Å; H160-I163 VanDerWaalsContact O-N 3.14Å; H160-Q164 PolarHBondContact O-N 3.21Å; H160-F243 AromaticContact ND1-CD1 3.8Å
161P94.1Very high92.2Very high70 Ų7030.6 Ų30.646%0.45516%0.155SC..Hα-helixtrans-57.4-33.7-177.1-2534.8000114.1R159 Q164 E165R159-P161 WeakPolarHBondContact O-CD 3.29Å; P161-Q164 WeakPolarHBondContact O-CB 3.4Å; P161-Q164 PolarHBondContact O-N 2.66Å; P161-E165 WeakPolarHBondContact O-CB 3.18Å; P161-E165 PolarHBondContact O-N 2.58Å
162E96.6Very high92.6Very high120 Ų12035.3 Ų35.356%0.56118%0.178SC*.Hα-helixtrans-65.4-42.6176.768.9-65.9158.800112.1H160 Q164 E165 K166H160-E162 WeakPolarHBondContact CB-OE1 3.26Å; H160-E162 IonicContact CD2-OE1 3.99Å; H160-E162 IonicContact CG-OE1 2.83Å; H160-E162 PolarHBondContact O-N 2.75Å; E162-Q164 VanDerWaalsContact C-N 3.35Å; E162-E165 PolarHBondContact O-N 3.19Å; E162-K166 WeakPolarHBondContact O-CB 3.22Å; E162-K166 PolarHBondContact O-N 2.91Å
163I97.5Very high92.7Very high13 Ų1340.5 Ų40.57%0.06721%0.207CC..Hα-helixtrans-66-42.1173.9-67175.9000109.8L157 H160 E165 K166 L167 Y184 V188 F243 P245L157-I163 HydrophobicContact CD2-CG2 4.09Å; H160-I163 HydrophobicContact CB-CB 3.89Å; H160-I163 HydrophobicContact CB-CD1 3.71Å; H160-I163 HydrophobicContact CB-CG1 3.98Å; H160-I163 PolarHBondContact O-N 2.92Å; H160-I163 VanDerWaalsContact O-N 3.14Å; I163-E165 PolarHBondContact O-N 3.5Å; I163-K166 PolarHBondContact O-N 3.12Å; I163-L167 WeakPolarHBondContact O-CB 3.49Å; I163-L167 PolarHBondContact O-N 2.78Å; I163-Y184 HydrophobicContact CG2-CE1 4.28Å; I163-Y184 WeakPolarHBondContact CG2-OH 3.39Å; I163-V188 HydrophobicContact CG2-CG2 4.12Å; I163-F243 HydrophobicContact CD1-CD1 3.74Å; I163-F243 HydrophobicContact CD1-CE1 4.07Å; I163-F243 HydrophobicContact CG2-CE1 4.1Å; I163-P245 HydrophobicContact CD1-CG 4.05Å; I163-P245 HydrophobicContact CG2-CG 3.88Å
164Q97.1Very high92.2Very high7 Ų743.7 Ų43.73%0.03322%0.22CC..Hα-helixtrans-61.1-44177.7-167.8-173.6153.600112.1L157 H160 P161 E162 L167 R168 L289 I294L157-Q164 HydrophobicContact CB-CB 4.41Å; L157-Q164 HydrophobicContact CB-CG 4.3Å; L157-Q164 HydrophobicContact CD2-CB 4.23Å; L157-Q164 HydrophobicContact CD2-CG 4.46Å; L157-Q164 WeakPolarHBondContact O-CB 3.36Å; L157-Q164 PolarHBondContact O-NE2 2.92Å; H160-Q164 PolarHBondContact O-N 3.21Å; P161-Q164 WeakPolarHBondContact O-CB 3.4Å; P161-Q164 PolarHBondContact O-N 2.66Å; E162-Q164 VanDerWaalsContact C-N 3.35Å; Q164-L167 PolarHBondContact O-N 2.96Å; Q164-R168 VanDerWaalsContact O-CB 3.26Å; Q164-R168 WeakPolarHBondContact O-CB 3.46Å; Q164-R168 PolarHBondContact O-N 3.43Å; Q164-L289 HydrophobicContact CG-CD2 3.9Å; Q164-I294 PolarHBondContact NE2-O 3.41Å
165E96.1Very high91.3Very high81 Ų8151.9 Ų51.938%0.37926%0.258SS..Hα-helixtrans-71.8-37.7-179.6-164.765-155.900111.5P161 E162 I163 R168 G169 R293P161-E165 WeakPolarHBondContact O-CB 3.18Å; P161-E165 PolarHBondContact O-N 2.58Å; E162-E165 PolarHBondContact O-N 3.19Å; I163-E165 PolarHBondContact O-N 3.5Å; E165-R168 PolarHBondContact O-N 3.45Å; E165-G169 PolarHBondContact O-N 3.44Å; E165-R293 VanDerWaalsContact CD-NH2 3.34Å; E165-R293 IonicContact OE1-NH2 3.55Å; E165-R293 PolarHBondContact OE1-NH2 3.29Å; E165-R293 IonicContact OE2-CZ 3.38Å; E165-R293 IonicContact OE2-NE 2.92Å; E165-R293 PolarHBondContact OE2-NE 3.33Å; E165-R293 IonicContact OE2-NH2 3Å; E165-R293 PolarHBondContact OE2-NH2 3.28Å
166K96.2Very high90.3Very high108 Ų10858.2 Ų58.247%0.4729%0.286SS..Hα-helixtrans-60.3-46.6172.2-178.7172.5169.3-173.50111.7E162 I163 R168 G169 E170 Y184 E246E162-K166 WeakPolarHBondContact O-CB 3.22Å; E162-K166 PolarHBondContact O-N 2.91Å; I163-K166 PolarHBondContact O-N 3.12Å; K166-R168 VanDerWaalsContact C-N 3.32Å; K166-R168 PolarHBondContact O-N 3.32Å; K166-G169 PolarHBondContact O-N 3.41Å; K166-E170 PolarHBondContact O-N 3.27Å; K166-Y184 HydrophobicContact CB-CE1 3.91Å; K166-Y184 HydrophobicContact CD-CD2 4.48Å; K166-Y184 HydrophobicContact CD-CE1 3.93Å; K166-Y184 HydrophobicContact CD-CE2 3.88Å; K166-Y184 VanDerWaalsContact CE-CE2 3.44Å; K166-Y184 HydrophobicContact CG-CD1 4.07Å; K166-Y184 HydrophobicContact CG-CE1 3.67Å; K166-Y184 HydrophobicContact CG-CE2 4.42Å; K166-E246 IonicContact NZ-OE1 3.39Å; K166-E246 PolarHBondContact NZ-OE1 3.44Å
167L96Very high89Confident0 Ų062 Ų620%031%0.306CS..Hα-helixtrans-62.6-40.8174.8176.960.1000111.9L157 I163 Q164 G169 E170 I171 Y184 L185 V188 L289L157-L167 HydrophobicContact CD1-CD2 4.14Å; L157-L167 HydrophobicContact CD2-CD2 3.82Å; I163-L167 WeakPolarHBondContact O-CB 3.49Å; I163-L167 PolarHBondContact O-N 2.78Å; Q164-L167 PolarHBondContact O-N 2.96Å; L167-G169 VanDerWaalsContact C-N 3.33Å; L167-G169 PolarHBondContact O-N 2.92Å; L167-E170 PolarHBondContact O-N 2.87Å; L167-I171 HydrophobicContact CD1-CD1 4.07Å; L167-I171 HydrophobicContact CD1-CG1 4.34Å; L167-I171 HydrophobicContact CD2-CD1 4.39Å; L167-I171 HydrophobicContact CG-CD1 3.75Å; L167-I171 HydrophobicContact CG-CG1 4.47Å; L167-I171 WeakPolarHBondContact O-CD1 3.41Å; L167-I171 VanDerWaalsContact O-CG1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.37Å; L167-I171 PolarHBondContact O-N 3.41Å; L167-Y184 HydrophobicContact CB-CD1 3.81Å; L167-Y184 HydrophobicContact CB-CE1 3.86Å; L167-Y184 HydrophobicContact CD1-CD1 4.04Å; L167-L185 HydrophobicContact CD1-CB 3.65Å; L167-L185 HydrophobicContact CD1-CD1 3.87Å; L167-L185 HydrophobicContact CD1-CG 4.31Å; L167-L185 HydrophobicContact CD2-CD1 4.07Å; L167-V188 HydrophobicContact CD2-CB 4.39Å; L167-V188 HydrophobicContact CD2-CG1 4.12Å; L167-V188 HydrophobicContact CD2-CG2 4.18Å; L167-L289 HydrophobicContact CD2-CD1 3.39Å; L167-L289 HydrophobicContact CG-CD1 3.95Å
168R93.9Very high88.4Confident27 Ų2764.1 Ų64.110%0.10232%0.317CS..Hα-helixtrans-62.7-41.1176-178.1173.616459.84.1111.5Q164 E165 K166 E170 I171 M172 L289 R290Q164-R168 VanDerWaalsContact O-CB 3.26Å; Q164-R168 WeakPolarHBondContact O-CB 3.46Å; Q164-R168 PolarHBondContact O-N 3.43Å; E165-R168 PolarHBondContact O-N 3.45Å; K166-R168 VanDerWaalsContact C-N 3.32Å; K166-R168 PolarHBondContact O-N 3.32Å; R168-E170 VanDerWaalsContact C-N 3.35Å; R168-E170 PolarHBondContact O-N 3.35Å; R168-I171 PolarHBondContact O-N 2.98Å; R168-I171 VanDerWaalsContact O-N 3.16Å; R168-M172 HydrophobicContact CG-CG 4.2Å; R168-M172 PolarHBondContact NH1-SD 2.73Å; R168-M172 VanDerWaalsContact O-CG 3.28Å; R168-M172 WeakPolarHBondContact O-CG 3.38Å; R168-M172 PolarHBondContact O-N 3.37Å; R168-L289 PolarHBondContact NH1-O 2.87Å; R168-R290 VanDerWaalsContact NH1-C 3.31Å; R168-R290 VanDerWaalsContact NH1-CA 3.35Å; R168-R290 PolarHBondContact NH1-O 3.41Å
169G93.8Very high87.9Confident43 Ų4364 Ų6444%0.44332%0.316SS..Hα-helixtrans-53.1-50.8173.400000111.8E165 K166 L167 I171 M172 D173E165-G169 PolarHBondContact O-N 3.44Å; K166-G169 PolarHBondContact O-N 3.41Å; L167-G169 VanDerWaalsContact C-N 3.33Å; L167-G169 PolarHBondContact O-N 2.92Å; G169-I171 PolarHBondContact O-N 3.37Å; G169-M172 PolarHBondContact O-N 2.96Å; G169-D173 PolarHBondContact O-N 3.05Å; G169-D173 VanDerWaalsContact O-N 3.15Å
170E93.5Very high87.4Confident32 Ų3264.5 Ų64.515%0.1532%0.321CS..Hα-helixtrans-58.8-46.8174.3-175.9-177-117.200111.8K166 L167 R168 M172 D173 Y174 M182 M183 Y184 L185K166-E170 PolarHBondContact O-N 3.27Å; L167-E170 PolarHBondContact O-N 2.87Å; R168-E170 VanDerWaalsContact C-N 3.35Å; R168-E170 PolarHBondContact O-N 3.35Å; E170-M172 PolarHBondContact O-N 3.45Å; E170-D173 PolarHBondContact O-N 3.24Å; E170-Y174 HydrophobicContact CG-CD2 3.96Å; E170-Y174 HydrophobicContact CG-CE2 3.8Å; E170-Y174 VanDerWaalsContact O-CD2 3.32Å; E170-Y174 WeakPolarHBondContact O-CD2 3.3Å; E170-Y174 PolarHBondContact O-N 2.83Å; E170-M182 HydrophobicContact CG-CB 4.29Å; E170-M182 HydrophobicContact CG-CG 4.26Å; E170-M182 WeakPolarHBondContact OE2-CB 3.27Å; E170-M183 PolarHBondContact OE1-N 3.07Å; E170-Y184 WeakPolarHBondContact OE1-CB 3.02Å; E170-Y184 PolarHBondContact OE1-N 3.22Å; E170-Y184 WeakPolarHBondContact OE2-CB 3.11Å; E170-Y184 PolarHBondContact OE2-N 2.82Å; E170-L185 PolarHBondContact OE2-N 3.39Å
171I91.7Very high86.9Confident0 Ų070.9 Ų70.90%034%0.344CS..Hα-helixtrans-60.8-35.5179.6-70.6162.2000111.8L167 R168 G169 M182 A286 L289 R290L167-I171 HydrophobicContact CD1-CD1 4.07Å; L167-I171 HydrophobicContact CD1-CG1 4.34Å; L167-I171 HydrophobicContact CD2-CD1 4.39Å; L167-I171 HydrophobicContact CG-CD1 3.75Å; L167-I171 HydrophobicContact CG-CG1 4.47Å; L167-I171 WeakPolarHBondContact O-CD1 3.41Å; L167-I171 VanDerWaalsContact O-CG1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.37Å; L167-I171 PolarHBondContact O-N 3.41Å; R168-I171 PolarHBondContact O-N 2.98Å; R168-I171 VanDerWaalsContact O-N 3.16Å; G169-I171 PolarHBondContact O-N 3.37Å; I171-M182 HydrophobicContact CG1-SD 4.16Å; I171-A286 HydrophobicContact CD1-CB 4.49Å; I171-A286 HydrophobicContact CG1-CB 4.32Å; I171-A286 HydrophobicContact CG2-CB 4.42Å; I171-A286 WeakPolarHBondContact CG2-O 3.44Å; I171-L289 HydrophobicContact CD1-CB 3.78Å; I171-L289 HydrophobicContact CD1-CD1 3.75Å; I171-L289 HydrophobicContact CD1-CG 4.42Å; I171-R290 HydrophobicContact CG2-CB 4.01Å; I171-R290 PolarHBondContact O-NH2 2.95Å
172M89.1Confident86.7Confident101 Ų10167.6 Ų67.650%0.49832%0.323SS..Hα-helixtrans-75.3-27.9179.9-68.2-57.3-64.900112.8R168 G169 E170 R290R168-M172 HydrophobicContact CG-CG 4.2Å; R168-M172 PolarHBondContact NH1-SD 2.73Å; R168-M172 VanDerWaalsContact O-CG 3.28Å; R168-M172 WeakPolarHBondContact O-CG 3.38Å; R168-M172 PolarHBondContact O-N 3.37Å; G169-M172 PolarHBondContact O-N 2.96Å; E170-M172 PolarHBondContact O-N 3.45Å; M172-R290 HydrophobicContact SD-CG 3.92Å
173D88.6Confident86.4Confident134 Ų13466.8 Ų66.872%0.71732%0.32SS*.Hα-helixtrans-72.1-37.8177.6-169.852.1000112.8G169 E170G169-D173 PolarHBondContact O-N 3.05Å; G169-D173 VanDerWaalsContact O-N 3.15Å; E170-D173 PolarHBondContact O-N 3.24Å
174Y79.9Confident86.3Confident67 Ų6767.2 Ų67.226%0.26332%0.321SS..SBendtrans-84.2144177.8-72-80.4000113.2E170 R181 M182 R290E170-Y174 HydrophobicContact CG-CD2 3.96Å; E170-Y174 HydrophobicContact CG-CE2 3.8Å; E170-Y174 VanDerWaalsContact O-CD2 3.32Å; E170-Y174 WeakPolarHBondContact O-CD2 3.3Å; E170-Y174 PolarHBondContact O-N 2.83Å; Y174-R181 HydrophobicContact CD1-CB 4.15Å; Y174-R181 HydrophobicContact CE1-CB 3.47Å; Y174-R181 VanDerWaalsContact CE1-CB 3.47Å; Y174-R181 PolarHBondContact OH-O 3.39Å; Y174-M182 HydrophobicContact CD2-CE 4.36Å; Y174-M182 HydrophobicContact CD2-CG 3.62Å; Y174-M182 HydrophobicContact CE2-CG 4.12Å; Y174-M182 HydrophobicContact CG-CE 4.24Å; Y174-M182 HydrophobicContact CG-CG 4.1Å; Y174-R290 PolarHBondContact O-NH2 3.37Å
175H70.8Confident86.2Confident172 Ų17266.9 Ų66.980%0.79632%0.32SS*.  trans-60.2154.3167.9-100.8-69.4000112.1N177 D178H175-N177 PolarHBondContact O-N 3.42Å; H175-D178 PolarHBondContact O-N 3.43Å
176K64.6Low86.1Confident142 Ų14264.9 Ų64.962%0.61731%0.312SS*.THydrogen-bonded Turntrans-46.6-28.5-167.6-74.5179.8-179.6170.40116.5
177N64.2Low86.1Confident82 Ų8260.3 Ų60.344%0.43929%0.293SS..THydrogen-bonded Turntrans-116.4-1.1-169.4-67-16.6000115.4H175 V179H175-N177 PolarHBondContact O-N 3.42Å; N177-V179 VanDerWaalsContact C-N 3.28Å; N177-V179 PolarHBondContact O-N 3.21Å
178D79.3Confident86.1Confident45 Ų4560.3 Ų60.324%0.24129%0.293CS..  trans-94.143.2-178.6-156.65.1000113.1H175 Q180 R181H175-D178 PolarHBondContact O-N 3.43Å; D178-Q180 PolarHBondContact O-N 3.46Å; D178-R181 PolarHBondContact O-N 3.27Å; D178-R181 IonicContact OD1-NE 2.66Å; D178-R181 WeakPolarHBondContact OD2-CD 2.87Å; D178-R181 IonicContact OD2-CZ 3.05Å; D178-R181 IonicContact OD2-NE 2.8Å; D178-R181 PolarHBondContact OD2-NE 2.87Å; D178-R181 IonicContact OD2-NH1 3.52Å; D178-R181 PolarHBondContact OD2-NH1 3.46Å
179V79.8Confident86.2Confident2 Ų259 Ų591%0.01229%0.288CS..G310 helixtrans-63.4-11.8-177.7-60.10000114N177 R181 M182 L279 K282 L283 A286N177-V179 VanDerWaalsContact C-N 3.28Å; N177-V179 PolarHBondContact O-N 3.21Å; V179-R181 VanDerWaalsContact C-N 3.26Å; V179-R181 PolarHBondContact O-N 3.01Å; V179-M182 HydrophobicContact CB-CE 4.48Å; V179-M182 HydrophobicContact CB-SD 4.01Å; V179-M182 HydrophobicContact CG1-CE 3.96Å; V179-M182 HydrophobicContact CG1-SD 3.92Å; V179-M182 PolarHBondContact O-N 3.23Å; V179-L279 HydrophobicContact CG2-CD1 3.89Å; V179-K282 HydrophobicContact CB-CB 4.08Å; V179-K282 HydrophobicContact CG2-CB 3.98Å; V179-K282 HydrophobicContact CG2-CD 4.42Å; V179-K282 PolarHBondContact O-NZ 2.9Å; V179-L283 HydrophobicContact CB-CD2 4.47Å; V179-L283 HydrophobicContact CG1-CD2 3.88Å; V179-L283 HydrophobicContact CG2-CD2 3.72Å; V179-L283 HydrophobicContact CG2-CG 3.98Å; V179-A286 HydrophobicContact CG1-CB 3.82Å
180Q78.2Confident86.3Confident81 Ų8160.6 Ų60.638%0.37928%0.28SS..G310 helixtrans-73.2-21.9179.4-63.7-161.6-49.100112.9D178D178-Q180 PolarHBondContact O-N 3.46Å
181R83.7Confident86.4Confident162 Ų16259 Ų5961%0.61127%0.273SS*.G310 helixtrans-91.9-7.4178.6-62.5-173-177.3173-6.1113.5Y174 D178 V179 M183Y174-R181 HydrophobicContact CD1-CB 4.15Å; Y174-R181 HydrophobicContact CE1-CB 3.47Å; Y174-R181 VanDerWaalsContact CE1-CB 3.47Å; Y174-R181 PolarHBondContact OH-O 3.39Å; D178-R181 PolarHBondContact O-N 3.27Å; D178-R181 IonicContact OD1-NE 2.66Å; D178-R181 WeakPolarHBondContact OD2-CD 2.87Å; D178-R181 IonicContact OD2-CZ 3.05Å; D178-R181 IonicContact OD2-NE 2.8Å; D178-R181 PolarHBondContact OD2-NE 2.87Å; D178-R181 IonicContact OD2-NH1 3.52Å; D178-R181 PolarHBondContact OD2-NH1 3.46Å; V179-R181 VanDerWaalsContact C-N 3.26Å; V179-R181 PolarHBondContact O-N 3.01Å; R181-M183 PolarHBondContact O-N 3.12Å
182M90Very high86.6Confident0 Ų059 Ų590%027%0.273CS..  trans-74.692178.1-66.4175.3-176.100110.1E170 I171 Y174 V179 L185 D186 A286E170-M182 HydrophobicContact CG-CB 4.29Å; E170-M182 HydrophobicContact CG-CG 4.26Å; E170-M182 WeakPolarHBondContact OE2-CB 3.27Å; I171-M182 HydrophobicContact CG1-SD 4.16Å; Y174-M182 HydrophobicContact CD2-CE 4.36Å; Y174-M182 HydrophobicContact CD2-CG 3.62Å; Y174-M182 HydrophobicContact CE2-CG 4.12Å; Y174-M182 HydrophobicContact CG-CE 4.24Å; Y174-M182 HydrophobicContact CG-CG 4.1Å; V179-M182 HydrophobicContact CB-CE 4.48Å; V179-M182 HydrophobicContact CB-SD 4.01Å; V179-M182 HydrophobicContact CG1-CE 3.96Å; V179-M182 HydrophobicContact CG1-SD 3.92Å; V179-M182 PolarHBondContact O-N 3.23Å; M182-L185 HydrophobicContact CB-CB 3.67Å; M182-L185 HydrophobicContact CB-CD2 4.09Å; M182-L185 HydrophobicContact SD-CD2 3.62Å; M182-D186 PolarHBondContact O-N 3.33Å; M182-A286 HydrophobicContact CE-CB 4.42Å; M182-A286 HydrophobicContact SD-CB 4.21Å
183M91.2Very high86.8Confident103 Ų10354.4 Ų54.451%0.50725%0.25SS..Hα-helixtrans-71.6-38-175.7-65.3179.675.300111.9E170 R181 D186 C187 E250E170-M183 PolarHBondContact OE1-N 3.07Å; R181-M183 PolarHBondContact O-N 3.12Å; M183-D186 VanDerWaalsContact O-CB 3.3Å; M183-D186 WeakPolarHBondContact O-CB 3.22Å; M183-D186 PolarHBondContact O-N 3.39Å; M183-C187 PolarHBondContact O-N 3.14Å; M183-C187 PolarHBondContact O-SG 3.14Å; M183-E250 HydrophobicContact CE-CB 4.37Å; M183-E250 WeakPolarHBondContact CE-OE2 3.46Å
184Y95Very high87.1Confident23 Ų2348 Ų489%0.0922%0.216CC..Hα-helixtrans-72.4-34.9178.9-167.4-109.7000111.5I163 K166 L167 E170 D186 C187 V188 P245 E246I163-Y184 HydrophobicContact CG2-CE1 4.28Å; I163-Y184 WeakPolarHBondContact CG2-OH 3.39Å; K166-Y184 HydrophobicContact CB-CE1 3.91Å; K166-Y184 HydrophobicContact CD-CD2 4.48Å; K166-Y184 HydrophobicContact CD-CE1 3.93Å; K166-Y184 HydrophobicContact CD-CE2 3.88Å; K166-Y184 VanDerWaalsContact CE-CE2 3.44Å; K166-Y184 HydrophobicContact CG-CD1 4.07Å; K166-Y184 HydrophobicContact CG-CE1 3.67Å; K166-Y184 HydrophobicContact CG-CE2 4.42Å; L167-Y184 HydrophobicContact CB-CD1 3.81Å; L167-Y184 HydrophobicContact CB-CE1 3.86Å; L167-Y184 HydrophobicContact CD1-CD1 4.04Å; E170-Y184 WeakPolarHBondContact OE1-CB 3.02Å; E170-Y184 PolarHBondContact OE1-N 3.22Å; E170-Y184 WeakPolarHBondContact OE2-CB 3.11Å; E170-Y184 PolarHBondContact OE2-N 2.82Å; Y184-D186 VanDerWaalsContact C-N 3.29Å; Y184-D186 PolarHBondContact O-N 3.25Å; Y184-C187 HydrophobicContact CD2-CB 4.39Å; Y184-C187 VanDerWaalsContact O-CB 3.31Å; Y184-C187 WeakPolarHBondContact O-CB 3.28Å; Y184-C187 PolarHBondContact O-N 2.96Å; Y184-C187 VanDerWaalsContact O-N 3.12Å; Y184-V188 HydrophobicContact CD1-CG2 4.22Å; Y184-V188 HydrophobicContact CE1-CG2 3.97Å; Y184-V188 WeakPolarHBondContact O-CG2 3.47Å; Y184-V188 PolarHBondContact O-N 3.26Å; Y184-P245 HydrophobicContact CE2-CB 3.98Å; Y184-E246 WeakPolarHBondContact CE2-OE1 3.39Å; Y184-E246 PolarHBondContact OH-OE1 2.84Å
185L95.1Very high87.7Confident0 Ų045 Ų450%020%0.204CC..Hα-helixtrans-59.4-39.1168.5-176.958000112.2L167 E170 M182 C187 V188 I189 K282 L285 A286L167-L185 HydrophobicContact CD1-CB 3.65Å; L167-L185 HydrophobicContact CD1-CD1 3.87Å; L167-L185 HydrophobicContact CD1-CG 4.31Å; L167-L185 HydrophobicContact CD2-CD1 4.07Å; E170-L185 PolarHBondContact OE2-N 3.39Å; M182-L185 HydrophobicContact CB-CB 3.67Å; M182-L185 HydrophobicContact CB-CD2 4.09Å; M182-L185 HydrophobicContact SD-CD2 3.62Å; L185-C187 VanDerWaalsContact C-N 3.35Å; L185-V188 PolarHBondContact O-N 3.23Å; L185-I189 HydrophobicContact CD1-CD1 4.07Å; L185-I189 HydrophobicContact CD1-CG1 4.39Å; L185-I189 HydrophobicContact CG-CD1 4.05Å; L185-I189 VanDerWaalsContact O-CG1 3.29Å; L185-I189 WeakPolarHBondContact O-CG1 3.17Å; L185-I189 PolarHBondContact O-N 3.35Å; L185-K282 HydrophobicContact CD2-CB 3.82Å; L185-K282 HydrophobicContact CD2-CG 3.81Å; L185-K282 HydrophobicContact CG-CB 4.49Å; L185-K282 HydrophobicContact CG-CG 4.03Å; L185-L285 HydrophobicContact CD1-CB 3.96Å; L185-L285 HydrophobicContact CD1-CD1 4Å; L185-A286 HydrophobicContact CD2-CB 4.3Å
186D94Very high88.6Confident39 Ų3936.9 Ų36.921%0.20917%0.167CC..Hα-helixtrans-60.6-44.7171.7-89.9-42.1000111.8M182 M183 Y184 I189 R190 K282M182-D186 PolarHBondContact O-N 3.33Å; M183-D186 VanDerWaalsContact O-CB 3.3Å; M183-D186 WeakPolarHBondContact O-CB 3.22Å; M183-D186 PolarHBondContact O-N 3.39Å; Y184-D186 VanDerWaalsContact C-N 3.29Å; Y184-D186 PolarHBondContact O-N 3.25Å; D186-I189 PolarHBondContact O-N 2.67Å; D186-R190 WeakPolarHBondContact O-CB 3.23Å; D186-R190 VanDerWaalsContact O-CG 3.23Å; D186-R190 WeakPolarHBondContact O-CG 3.13Å; D186-R190 PolarHBondContact O-N 2.75Å; D186-K282 WeakPolarHBondContact OD1-CE 3.26Å; D186-K282 IonicContact OD1-NZ 3.69Å; D186-K282 PolarHBondContact OD1-NZ 2.74Å; D186-K282 IonicContact OD2-NZ 2.65Å; D186-K282 PolarHBondContact OD2-NZ 3.2Å
187C95.7Very high89.6Confident11 Ų1130.6 Ų30.67%0.07414%0.141CC..Hα-helixtrans-59.1-48.4178.1-67.20000111.7M183 Y184 L185 I189 R190 E191 P245 F248M183-C187 PolarHBondContact O-N 3.14Å; M183-C187 PolarHBondContact O-SG 3.14Å; Y184-C187 HydrophobicContact CD2-CB 4.39Å; Y184-C187 VanDerWaalsContact O-CB 3.31Å; Y184-C187 WeakPolarHBondContact O-CB 3.28Å; Y184-C187 PolarHBondContact O-N 2.96Å; Y184-C187 VanDerWaalsContact O-N 3.12Å; L185-C187 VanDerWaalsContact C-N 3.35Å; C187-I189 PolarHBondContact O-N 3.26Å; C187-R190 PolarHBondContact O-N 2.92Å; C187-E191 WeakPolarHBondContact O-CB 3.44Å; C187-E191 PolarHBondContact O-N 3.1Å; C187-P245 HydrophobicContact CB-CB 3.93Å; C187-P245 VanDerWaalsContact CB-O 3.29Å; C187-P245 WeakPolarHBondContact CB-O 3.39Å; C187-F248 HydrophobicContact CB-CB 4.34Å
188V96.9Very high90.3Very high0 Ų028.3 Ų28.30%013%0.13CC..Hα-helixtrans-60.3-44.5178.2168.10000111.4L157 I163 L167 Y184 L185 T192 F243 P245L157-V188 HydrophobicContact CD1-CG1 4.45Å; L157-V188 HydrophobicContact CD2-CG1 4.11Å; L157-V188 HydrophobicContact CG-CG1 4.38Å; I163-V188 HydrophobicContact CG2-CG2 4.12Å; L167-V188 HydrophobicContact CD2-CB 4.39Å; L167-V188 HydrophobicContact CD2-CG1 4.12Å; L167-V188 HydrophobicContact CD2-CG2 4.18Å; Y184-V188 HydrophobicContact CD1-CG2 4.22Å; Y184-V188 HydrophobicContact CE1-CG2 3.97Å; Y184-V188 WeakPolarHBondContact O-CG2 3.47Å; Y184-V188 PolarHBondContact O-N 3.26Å; L185-V188 PolarHBondContact O-N 3.23Å; V188-T192 WeakPolarHBondContact O-CB 3.36Å; V188-T192 PolarHBondContact O-N 2.98Å; V188-T192 PolarHBondContact O-OG1 3.13Å; V188-F243 HydrophobicContact CG1-CZ 4.18Å; V188-P245 HydrophobicContact CG2-CB 3.96Å; V188-P245 HydrophobicContact CG2-CG 3.84Å
189I95.6Very high90.4Very high0 Ų027.8 Ų27.80%013%0.131CC..Hα-helixtrans-66.4-43.3178.7-70.2168000111L185 D186 C187 T192 L193 L278 M281 K282 L285L185-I189 HydrophobicContact CD1-CD1 4.07Å; L185-I189 HydrophobicContact CD1-CG1 4.39Å; L185-I189 HydrophobicContact CG-CD1 4.05Å; L185-I189 VanDerWaalsContact O-CG1 3.29Å; L185-I189 WeakPolarHBondContact O-CG1 3.17Å; L185-I189 PolarHBondContact O-N 3.35Å; D186-I189 PolarHBondContact O-N 2.67Å; C187-I189 PolarHBondContact O-N 3.26Å; I189-T192 WeakPolarHBondContact O-CB 3.34Å; I189-T192 PolarHBondContact O-N 3.17Å; I189-L193 HydrophobicContact CG2-CD1 4.04Å; I189-L193 WeakPolarHBondContact O-CG 3.5Å; I189-L193 PolarHBondContact O-N 3.19Å; I189-L278 HydrophobicContact CG2-CD2 3.61Å; I189-M281 HydrophobicContact CD1-CB 3.89Å; I189-M281 HydrophobicContact CG1-CB 4.36Å; I189-M281 HydrophobicContact CG1-CE 4.33Å; I189-M281 HydrophobicContact CG2-CE 3.86Å; I189-M281 HydrophobicContact CG2-SD 3.98Å; I189-K282 HydrophobicContact CD1-CB 4.28Å; I189-K282 HydrophobicContact CD1-CG 3.45Å; I189-K282 VanDerWaalsContact CD1-CG 3.45Å; I189-L285 HydrophobicContact CD1-CD1 4.3Å; I189-L285 HydrophobicContact CG1-CD1 3.92Å
190R95.3Very high90.5Very high76 Ų7632.6 Ų32.629%0.28716%0.161SC..Hα-helixtrans-64.7-42.2179.8-74.8174.3174.3-133.34.9112.3D186 C187 L193 R194 F248 W261D186-R190 WeakPolarHBondContact O-CB 3.23Å; D186-R190 VanDerWaalsContact O-CG 3.23Å; D186-R190 WeakPolarHBondContact O-CG 3.13Å; D186-R190 PolarHBondContact O-N 2.75Å; C187-R190 PolarHBondContact O-N 2.92Å; R190-L193 PolarHBondContact O-N 2.71Å; R190-R194 WeakPolarHBondContact O-CB 3.47Å; R190-R194 PolarHBondContact O-N 3.16Å; R190-F248 HydrophobicContact CB-CB 4.22Å; R190-F248 HydrophobicContact CB-CD1 3.8Å; R190-F248 HydrophobicContact CB-CD2 3.56Å; R190-F248 HydrophobicContact CB-CE1 3.99Å; R190-F248 HydrophobicContact CB-CE2 3.77Å; R190-F248 HydrophobicContact CB-CG 3.57Å; R190-F248 HydrophobicContact CB-CZ 3.99Å; R190-F248 HydrophobicContact CG-CD1 4.33Å; R190-F248 HydrophobicContact CG-CG 4.38Å; R190-W261 HydrophobicContact CB-CZ2 4.01Å; R190-W261 HydrophobicContact CG-CH2 4.1Å; R190-W261 HydrophobicContact CG-CZ2 3.72Å; R190-W261 PolarHBondContact O-NE1 3.48Å
191E96.2Very high91.1Very high0 Ų029 Ų290%015%0.145CC..Hα-helixtrans-67.5-38.7176.6-174.569.1170.600111.6C187 L193 R194 L195 E242 F243 V244 R247 F248C187-E191 WeakPolarHBondContact O-CB 3.44Å; C187-E191 PolarHBondContact O-N 3.1Å; E191-L193 VanDerWaalsContact C-N 3.34Å; E191-L193 PolarHBondContact O-N 3.42Å; E191-R194 WeakPolarHBondContact O-CB 3.31Å; E191-R194 PolarHBondContact O-N 3.22Å; E191-R194 IonicContact OE1-CZ 3.56Å; E191-R194 IonicContact OE1-NE 2.73Å; E191-R194 IonicContact OE1-NH2 3.37Å; E191-R194 PolarHBondContact OE1-NH2 2.75Å; E191-R194 IonicContact OE2-CZ 3.87Å; E191-R194 IonicContact OE2-NE 3.41Å; E191-R194 PolarHBondContact OE2-NE 3.31Å; E191-R194 IonicContact OE2-NH2 3.15Å; E191-L195 PolarHBondContact O-N 3.1Å; E191-E242 VanDerWaalsContact OE1-O 3.08Å; E191-F243 HydrophobicContact CB-CD2 4.2Å; E191-F243 HydrophobicContact CB-CE2 3.85Å; E191-F243 HydrophobicContact CG-CD2 3.41Å; E191-F243 VanDerWaalsContact CG-CD2 3.41Å; E191-F243 HydrophobicContact CG-CE2 3.6Å; E191-F243 HydrophobicContact CG-CG 4.15Å; E191-F243 HydrophobicContact CG-CZ 4.46Å; E191-V244 PolarHBondContact OE1-N 2.98Å; E191-R247 IonicContact OE1-NE 3.58Å; E191-R247 PolarHBondContact OE1-NE 3.01Å; E191-F248 HydrophobicContact CB-CD2 4.12Å; E191-F248 HydrophobicContact CB-CE2 4.05Å; E191-F248 VanDerWaalsContact OE2-CE2 3.25Å; E191-F248 WeakPolarHBondContact OE2-CE2 3.4Å
192T94.6Very high91.4Very high0 Ų022.4 Ų22.40%012%0.123CC..Hα-helixtrans-58.5-48.6172.5-57.60000110.5A153 V188 I189 R194 L195 Y196A153-T192 HydrophobicContact CB-CG2 3.85Å; A153-T192 VanDerWaalsContact N-CG2 3.32Å; V188-T192 WeakPolarHBondContact O-CB 3.36Å; V188-T192 PolarHBondContact O-N 2.98Å; V188-T192 PolarHBondContact O-OG1 3.13Å; I189-T192 WeakPolarHBondContact O-CB 3.34Å; I189-T192 PolarHBondContact O-N 3.17Å; T192-R194 VanDerWaalsContact C-N 3.26Å; T192-R194 PolarHBondContact O-N 3.21Å; T192-L195 PolarHBondContact O-N 3.15Å; T192-Y196 HydrophobicContact CG2-CD2 4.28Å; T192-Y196 WeakPolarHBondContact O-CB 3.37Å; T192-Y196 WeakPolarHBondContact O-CD2 3.36Å; T192-Y196 PolarHBondContact O-N 3.16Å
193L93.8Very high91.5Very high3 Ų322.6 Ų22.62%0.01612%0.124CC..Hα-helixtrans-72.6-18-179.1-68.3174.7000113.6A149 I189 R190 E191 V198 W261 P263 F264 L278 M281A149-L193 HydrophobicContact CB-CD2 3.72Å; I189-L193 HydrophobicContact CG2-CD1 4.04Å; I189-L193 WeakPolarHBondContact O-CG 3.5Å; I189-L193 PolarHBondContact O-N 3.19Å; R190-L193 PolarHBondContact O-N 2.71Å; E191-L193 VanDerWaalsContact C-N 3.34Å; E191-L193 PolarHBondContact O-N 3.42Å; L193-V198 HydrophobicContact CD2-CG2 4.26Å; L193-W261 HydrophobicContact CB-CZ2 4.13Å; L193-W261 HydrophobicContact CD1-CZ2 4.18Å; L193-P263 HydrophobicContact CB-CB 3.99Å; L193-P263 HydrophobicContact CB-CG 4.02Å; L193-F264 HydrophobicContact CD1-CE2 3.61Å; L193-F264 HydrophobicContact CD1-CZ 3.69Å; L193-L278 HydrophobicContact CD1-CD2 4.17Å; L193-M281 HydrophobicContact CD1-SD 4.45Å
194R95.4Very high91.6Very high0 Ų019.9 Ų19.90%011%0.108CC..Hα-helixtrans-74.9-52.7171-172.8-168.367.180.4-3.5110.6R190 E191 T192 Y196 P197 H230 W236 A240 E242 F248R190-R194 WeakPolarHBondContact O-CB 3.47Å; R190-R194 PolarHBondContact O-N 3.16Å; E191-R194 WeakPolarHBondContact O-CB 3.31Å; E191-R194 PolarHBondContact O-N 3.22Å; E191-R194 IonicContact OE1-CZ 3.56Å; E191-R194 IonicContact OE1-NE 2.73Å; E191-R194 IonicContact OE1-NH2 3.37Å; E191-R194 PolarHBondContact OE1-NH2 2.75Å; E191-R194 IonicContact OE2-CZ 3.87Å; E191-R194 IonicContact OE2-NE 3.41Å; E191-R194 PolarHBondContact OE2-NE 3.31Å; E191-R194 IonicContact OE2-NH2 3.15Å; T192-R194 VanDerWaalsContact C-N 3.26Å; T192-R194 PolarHBondContact O-N 3.21Å; R194-Y196 VanDerWaalsContact C-N 3.27Å; R194-Y196 PolarHBondContact O-N 3.39Å; R194-P197 WeakPolarHBondContact O-CD 3.24Å; R194-P197 WeakPolarHBondContact O-CG 3.02Å; R194-H230 WeakPolarHBondContact CA-ND1 3.46Å; R194-H230 HydrophobicContact CG-CB 3.86Å; R194-H230 PolarHBondContact NH1-O 2.65Å; R194-H230 VanDerWaalsContact O-CB 3.25Å; R194-H230 WeakPolarHBondContact O-CB 3.28Å; R194-H230 PolarHBondContact O-ND1 3.39Å; R194-W236 VanDerWaalsContact CD-CE3 3.45Å; R194-W236 HydrophobicContact CG-CH2 4.21Å; R194-W236 HydrophobicContact CG-CZ2 4Å; R194-A240 VanDerWaalsContact CZ-O 3.29Å; R194-A240 PolarHBondContact NH1-O 2.97Å; R194-A240 PolarHBondContact NH2-O 3.13Å; R194-E242 PolarHBondContact NH2-O 2.95Å; R194-E242 VanDerWaalsContact NH2-O 3.16Å; R194-F248 HydrophobicContact CB-CE2 4.33Å; R194-F248 HydrophobicContact CB-CZ 4.18Å
195L92.4Very high91.5Very high3 Ų318.8 Ų18.82%0.01610%0.103CC..Hα-helixtrans-68-30178.4-72.9-173.6000112.4E191 T192 P197 W227 Y231 F243E191-L195 PolarHBondContact O-N 3.1Å; T192-L195 PolarHBondContact O-N 3.15Å; L195-P197 VanDerWaalsContact C-CD 3.48Å; L195-P197 WeakPolarHBondContact O-CD 3.24Å; L195-W227 WeakPolarHBondContact O-CZ3 3.39Å; L195-Y231 WeakPolarHBondContact CA-OH 3.49Å; L195-Y231 HydrophobicContact CD2-CE1 3.89Å; L195-Y231 WeakPolarHBondContact O-CE2 3.45Å; L195-Y231 PolarHBondContact O-OH 3.02Å; L195-F243 HydrophobicContact CD1-CB 3.8Å; L195-F243 HydrophobicContact CD1-CD2 3.75Å; L195-F243 HydrophobicContact CD1-CG 4.28Å
196Y90Very high91.4Very high2 Ų221.1 Ų21.11%0.00812%0.115CC..SBendtrans-125.773-176.1-54.2-78.3000111.7Y152 E156 T192 R194 V198 R312Y152-Y196 AromaticContact CD1-CD1 3.45Å; Y152-Y196 HydrophobicContact CD1-CD1 3.45Å; Y152-Y196 VanDerWaalsContact CD1-CD1 3.45Å; Y152-Y196 HydrophobicContact CD1-CD2 4.09Å; Y152-Y196 AromaticContact CD1-CE1 3.66Å; Y152-Y196 HydrophobicContact CD1-CE1 3.66Å; Y152-Y196 HydrophobicContact CD1-CE2 4.29Å; Y152-Y196 AromaticContact CD1-CG 3.68Å; Y152-Y196 HydrophobicContact CD1-CG 3.68Å; Y152-Y196 VanDerWaalsContact CD2-CB 3.43Å; Y152-Y196 HydrophobicContact CD2-CD1 4.08Å; Y152-Y196 HydrophobicContact CD2-CD2 4.44Å; Y152-Y196 AromaticContact CD2-CG 3.74Å; Y152-Y196 HydrophobicContact CD2-CG 3.74Å; Y152-Y196 AromaticContact CE1-CD1 3.53Å; Y152-Y196 HydrophobicContact CE1-CD1 3.53Å; Y152-Y196 AromaticContact CE1-CE1 3.82Å; Y152-Y196 HydrophobicContact CE1-CE1 3.82Å; Y152-Y196 HydrophobicContact CE1-CG 4.14Å; Y152-Y196 HydrophobicContact CE2-CD1 4.17Å; Y152-Y196 HydrophobicContact CE2-CG 4.21Å; Y152-Y196 AromaticContact CG-CD1 3.76Å; Y152-Y196 HydrophobicContact CG-CD1 3.76Å; Y152-Y196 AromaticContact CG-CD2 3.83Å; Y152-Y196 HydrophobicContact CG-CD2 3.83Å; Y152-Y196 HydrophobicContact CG-CE1 4.32Å; Y152-Y196 HydrophobicContact CG-CE2 4.41Å; Y152-Y196 AromaticContact CG-CG 3.47Å; Y152-Y196 HydrophobicContact CG-CG 3.47Å; Y152-Y196 VanDerWaalsContact CG-CG 3.47Å; Y152-Y196 AromaticContact CZ-CD1 3.92Å; E156-Y196 HydrophobicContact CG-CE2 3.78Å; E156-Y196 WeakPolarHBondContact OE1-CE2 3.43Å; E156-Y196 PolarHBondContact OE1-OH 2.98Å; T192-Y196 HydrophobicContact CG2-CD2 4.28Å; T192-Y196 WeakPolarHBondContact O-CB 3.37Å; T192-Y196 WeakPolarHBondContact O-CD2 3.36Å; T192-Y196 PolarHBondContact O-N 3.16Å; R194-Y196 VanDerWaalsContact C-N 3.27Å; R194-Y196 PolarHBondContact O-N 3.39Å; Y196-V198 PolarHBondContact O-N 3.02Å; Y196-R312 VanDerWaalsContact CE1-NH1 3.26Å; Y196-R312 PolarHBondContact OH-NH1 3.05Å; Y196-R312 PolarHBondContact OH-NH2 2.72Å
197P85.5Confident91.4Very high10 Ų1025.1 Ų25.17%0.06513%0.133CC..  trans-65.6110.1174.5-18.733000110.5R194 L195 V226 W227 H230R194-P197 WeakPolarHBondContact O-CD 3.24Å; R194-P197 WeakPolarHBondContact O-CG 3.02Å; L195-P197 VanDerWaalsContact C-CD 3.48Å; L195-P197 WeakPolarHBondContact O-CD 3.24Å; P197-V226 HydrophobicContact CB-CB 4.21Å; P197-V226 HydrophobicContact CB-CG1 3.69Å; P197-V226 HydrophobicContact CG-CG1 3.96Å; P197-W227 HydrophobicContact CG-CD2 4.2Å; P197-W227 HydrophobicContact CG-CE3 4.48Å; P197-H230 HydrophobicContact CG-CB 4.36Å; P197-H230 WeakPolarHBondContact CG-ND1 3.28Å
198V79.4Confident91.4Very high34 Ų3428.2 Ų28.221%0.20615%0.151CC..  trans-92.4-12.6-175.2-73.20000114.1I145 N148 A149 Y152 L193 Y196I145-V198 HydrophobicContact CG2-CB 3.76Å; I145-V198 HydrophobicContact CG2-CG2 3.35Å; N148-V198 HydrophobicContact CB-CG1 4Å; A149-V198 HydrophobicContact CB-CG2 4.44Å; Y152-V198 HydrophobicContact CD2-CG1 4.4Å; Y152-V198 HydrophobicContact CE2-CG1 4.17Å; L193-V198 HydrophobicContact CD2-CG2 4.26Å; Y196-V198 PolarHBondContact O-N 3.02Å
199A80.4Confident91.3Very high34 Ų3429 Ų2928%0.28116%0.156SC..SBendtrans-112.3140.6-17400000113P263A199-P263 WeakPolarHBondContact CB-O 3.47Å
200V83.1Confident91.3Very high103 Ų10332.3 Ų32.362%0.62418%0.177SC*.  trans-82.7119.5172.1177.90000110L223V200-L223 HydrophobicContact CG1-CD1 3.62Å
201V89.8Confident91.2Very high7 Ų728.9 Ų28.94%0.04216%0.164CC..  trans-103.495.5179.4-175.70000109.8F20 A224 V226F20-V201 HydrophobicContact CE2-CG1 3.65Å; F20-V201 HydrophobicContact CZ-CG1 3.68Å; V201-A224 HydrophobicContact CB-CB 4.14Å; V201-A224 HydrophobicContact CG1-CB 4.12Å; V201-A224 PolarHBondContact O-N 3.06Å; V201-V226 HydrophobicContact CB-CG2 3.99Å; V201-V226 HydrophobicContact CG2-CG2 3.76Å
202S91.2Very high90.9Very high23 Ų2332.6 Ų32.616%0.16120%0.203CC..EExtended strand (participates in β ladder)trans-126.4157.5-177.866.90000114V222S202-V222 CarbonylContact C-O 3.59Å; S202-V222 WeakPolarHBondContact CA-O 3.36Å; S202-V222 WeakPolarHBondContact CB-O 2.72Å
203R92.1Very high90.7Very high3 Ų336 Ų361%0.01124%0.238CC..EExtended strand (participates in β ladder)trans-134.5164.4171.7-60.3-61.9-177.8-88.6-6.2110.3F20 F27 A29 H221 V222 A266F20-R203 HydrophobicContact CD1-CG 3.64Å; F20-R203 HydrophobicContact CE1-CB 4.42Å; F20-R203 HydrophobicContact CE1-CG 3.38Å; F20-R203 HydrophobicContact CZ-CG 4.45Å; F27-R203 HydrophobicContact CB-CB 4.09Å; F27-R203 HydrophobicContact CB-CG 4.35Å; F27-R203 HydrophobicContact CD1-CB 4.35Å; F27-R203 VanDerWaalsContact O-CD 3.27Å; F27-R203 WeakPolarHBondContact O-CD 3.47Å; A29-R203 CarbonylContact O-C 3.54Å; A29-R203 WeakPolarHBondContact O-CA 3.32Å; R203-H221 WeakPolarHBondContact O-CA 3.45Å; R203-V222 PolarHBondContact N-O 2.91Å; R203-V222 PolarHBondContact O-N 3.03Å; R203-A266 PolarHBondContact NH2-O 3.11Å
204R91.6Very high90.7Very high46 Ų4640 Ų4017%0.17426%0.258CS..EExtended strand (participates in β ladder)trans-122.5131.5169.4-171.3-176.2-167.3-172.2-5109.1A29 M206 G219A29-R204 HydrophobicContact CB-CB 4.19Å; A29-R204 PolarHBondContact O-N 3.45Å; R204-M206 HydrophobicContact CG-SD 4.41Å; R204-M206 PolarHBondContact O-N 2.61Å; R204-G219 PolarHBondContact NE-O 3.28Å
205C93.1Very high90.7Very high0 Ų043.9 Ų43.90%028%0.282CS..  trans-67.7120172.1-168.50000109.5C26 F27 Q207 I216 E217 G219 I220C26-C205 CarbonylContact O-C 3.39Å; C26-C205 WeakPolarHBondContact O-CA 3.25Å; F27-C205 HydrophobicContact CD1-CB 4.15Å; F27-C205 HydrophobicContact CE1-CB 3.63Å; F27-C205 HydrophobicContact CZ-CB 4.37Å; C205-Q207 PolarHBondContact SG-O 3.31Å; C205-I216 HydrophobicContact CB-CG2 3.91Å; C205-I216 PolarHBondContact SG-O 3.21Å; C205-E217 WeakPolarHBondContact CB-O 3.47Å; C205-E217 PolarHBondContact SG-O 3.05Å; C205-G219 PolarHBondContact O-N 3.29Å; C205-I220 HydrophobicContact CB-CB 4.47Å; C205-I220 WeakPolarHBondContact CB-O 3.23Å; C205-I220 PolarHBondContact N-O 3.48Å
206M92.8Very high90.8Very high50 Ų5043.9 Ų43.925%0.24628%0.282CS..SBendtrans-101.9-14.7-179-62.6-57.5-65.400112.2C26 A29 R204 K218C26-M206 PolarHBondContact O-N 3.04Å; A29-M206 HydrophobicContact CB-CE 4.42Å; A29-M206 HydrophobicContact CB-CG 3.75Å; A29-M206 HydrophobicContact CB-SD 3.44Å; A29-M206 WeakPolarHBondContact CB-SD 3.34Å; R204-M206 HydrophobicContact CG-SD 4.41Å; R204-M206 PolarHBondContact O-N 2.61Å; M206-K218 WeakPolarHBondContact O-CD 3.25Å; M206-K218 WeakPolarHBondContact O-CE 3.42Å; M206-K218 WeakPolarHBondContact O-CG 3.21Å
207Q94.1Very high91Very high123 Ų12350 Ų5058%0.57531%0.31SS*.SBendtrans-149.3128178.2-179.4175.63.800109C205 C209C205-Q207 PolarHBondContact SG-O 3.31Å; Q207-C209 PolarHBondContact O-N 3.19Å
208T96.1Very high91.3Very high76 Ų7656.4 Ų56.447%0.46634%0.337SS..  trans-54.2129178.6-59.60000110.4T215 I216 K218T208-T215 HydrophobicContact CG2-CG2 3.72Å; T208-I216 WeakPolarHBondContact CA-O 3.46Å; T208-K218 PolarHBondContact OG1-N 3.04Å
209C95.4Very high91.8Very high15 Ų1555.5 Ų55.510%0.10134%0.335CS..EExtended strand (participates in β ladder)trans-150.4157.4-179.864.30000111.4K23 F27 Q207 I216K23-C209 HydrophobicContact CD-CB 4.47Å; F27-C209 VanDerWaalsContact CE2-SG 3.52Å; F27-C209 VanDerWaalsContact CZ-SG 3.58Å; Q207-C209 PolarHBondContact O-N 3.19Å; C209-I216 PolarHBondContact N-O 3.24Å; C209-I216 VanDerWaalsContact N-O 3.15Å; C209-I216 PolarHBondContact O-N 2.99Å
210T95.6Very high92.3Very high70 Ų7055.3 Ų55.343%0.42933%0.329SS..EExtended strand (participates in β ladder)trans-104.9128.7177.7-55.60000110.6K23 I214 T215K23-T210 PolarHBondContact NZ-O 3.05Å; T210-I214 CarbonylContact C-O 3.22Å; T210-I214 VanDerWaalsContact CA-O 3.29Å; T210-I214 WeakPolarHBondContact CA-O 3.3Å; T210-T215 PolarHBondContact OG1-OG1 2.73Å; T210-T215 VanDerWaalsContact OG1-OG1 3.14Å
211I93.7Very high92.6Very high4 Ų450.7 Ų50.72%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-131.6127.5177.1-63.1177.9000107.9M15 D18 I19 K23 F27 G213 I214 I216M15-I211 HydrophobicContact CG-CG2 3.88Å; D18-I211 HydrophobicContact CB-CD1 4.18Å; D18-I211 HydrophobicContact CB-CG1 4.48Å; D18-I211 HydrophobicContact CB-CG2 3.65Å; I19-I211 HydrophobicContact CB-CD1 4.49Å; I19-I211 HydrophobicContact CD1-CD1 4.39Å; I19-I211 HydrophobicContact CG1-CD1 3.42Å; I19-I211 VanDerWaalsContact CG1-CD1 3.42Å; K23-I211 HydrophobicContact CD-CD1 4.08Å; K23-I211 HydrophobicContact CD-CG1 3.88Å; F27-I211 HydrophobicContact CE2-CD1 3.73Å; F27-I211 HydrophobicContact CZ-CD1 4.08Å; I211-G213 PolarHBondContact O-N 3.5Å; I211-G213 VanDerWaalsContact O-N 3.15Å; I211-I214 PolarHBondContact N-O 2.88Å; I211-I214 WeakPolarHBondContact O-CB 3.29Å; I211-I214 PolarHBondContact O-N 3.42Å; I211-I216 HydrophobicContact CD1-CD1 4.22Å
212G88.3Confident92.8Very high79 Ų7950.4 Ų50.481%0.81430%0.299SS*.THydrogen-bonded Turntrans55.731.6-17900000114.2I214G212-I214 VanDerWaalsContact C-N 3.26Å; G212-I214 PolarHBondContact O-N 2.72Å
213G91.4Very high92.9Very high71 Ų7151.9 Ų51.973%0.73231%0.305SS*.THydrogen-bonded Turntrans81.1-7.4-174.800000115.4I211I211-G213 PolarHBondContact O-N 3.5Å; I211-G213 VanDerWaalsContact O-N 3.15Å
214I93.1Very high93Very high86 Ų8651.9 Ų51.944%0.44131%0.306SS..EExtended strand (participates in β ladder)trans-94.5122.8179.5-56.7173.5000109.7M15 T210 I211 G212 I216M15-I214 HydrophobicContact CE-CD1 4.15Å; T210-I214 CarbonylContact C-O 3.22Å; T210-I214 VanDerWaalsContact CA-O 3.29Å; T210-I214 WeakPolarHBondContact CA-O 3.3Å; I211-I214 PolarHBondContact N-O 2.88Å; I211-I214 WeakPolarHBondContact O-CB 3.29Å; I211-I214 PolarHBondContact O-N 3.42Å; G212-I214 VanDerWaalsContact C-N 3.26Å; G212-I214 PolarHBondContact O-N 2.72Å; I214-I216 HydrophobicContact CG2-CG1 4.48Å
215T95.2Very high93.1Very high83 Ų8351.8 Ų51.851%0.50931%0.308SS..EExtended strand (participates in β ladder)trans-81.7117.4172.3-61.50000110.4T208 T210T208-T215 HydrophobicContact CG2-CG2 3.72Å; T210-T215 PolarHBondContact OG1-OG1 2.73Å; T210-T215 VanDerWaalsContact OG1-OG1 3.14Å
216I95.2Very high93.1Very high3 Ų352 Ų522%0.01531%0.31CS..EExtended strand (participates in β ladder)trans-101.3107.7177-53.2173.6000108L8 M15 I19 F27 C205 T208 C209 I211 I214 I220L8-I216 HydrophobicContact CD2-CD1 3.73Å; L8-I216 HydrophobicContact CD2-CG1 4Å; M15-I216 HydrophobicContact CE-CD1 3.97Å; I19-I216 HydrophobicContact CD1-CD1 4.2Å; F27-I216 HydrophobicContact CE1-CD1 4.44Å; F27-I216 HydrophobicContact CE1-CG2 4.2Å; F27-I216 HydrophobicContact CZ-CB 4.45Å; F27-I216 HydrophobicContact CZ-CD1 3.94Å; F27-I216 HydrophobicContact CZ-CG2 4.31Å; C205-I216 HydrophobicContact CB-CG2 3.91Å; C205-I216 PolarHBondContact SG-O 3.21Å; T208-I216 WeakPolarHBondContact CA-O 3.46Å; C209-I216 PolarHBondContact N-O 3.24Å; C209-I216 VanDerWaalsContact N-O 3.15Å; C209-I216 PolarHBondContact O-N 2.99Å; I211-I216 HydrophobicContact CD1-CD1 4.22Å; I214-I216 HydrophobicContact CG2-CG1 4.48Å; I216-I220 HydrophobicContact CG2-CB 3.96Å; I216-I220 HydrophobicContact CG2-CG2 3.96Å
217E94.1Very high93.1Very high129 Ų12953.9 Ų53.960%0.60331%0.314SS*.  trans-68.4150.6-179.3-62.5-168.6156.400112.8C205 G219 I220C205-E217 WeakPolarHBondContact CB-O 3.47Å; C205-E217 PolarHBondContact SG-O 3.05Å; E217-G219 PolarHBondContact O-N 3.37Å; E217-I220 HydrophobicContact CB-CG1 4.13Å; E217-I220 WeakPolarHBondContact O-CB 3.49Å; E217-I220 VanDerWaalsContact O-CG1 3.25Å; E217-I220 WeakPolarHBondContact O-CG1 3.37Å; E217-I220 PolarHBondContact O-N 3.21Å
218K92.6Very high93.1Very high145 Ų14551.1 Ų51.163%0.6331%0.306SS*.THydrogen-bonded Turntrans-54.7132.6170.8177.6178.1-179.1-175.70110.1M206 T208M206-K218 WeakPolarHBondContact O-CD 3.25Å; M206-K218 WeakPolarHBondContact O-CE 3.42Å; M206-K218 WeakPolarHBondContact O-CG 3.21Å; T208-K218 PolarHBondContact OG1-N 3.04Å
219G88.8Confident93Very high16 Ų1647.5 Ų47.517%0.16528%0.284CS..THydrogen-bonded Turntrans103.4-26.8179.500000113.4R204 C205 E217R204-G219 PolarHBondContact NE-O 3.28Å; C205-G219 PolarHBondContact O-N 3.29Å; E217-G219 PolarHBondContact O-N 3.37Å
220I91.1Very high93Very high29 Ų2946.8 Ų46.815%0.14928%0.279CS..  trans-59.1135.8179.4-62.2-68.1000110.9P6 L8 C205 I216 E217P6-I220 HydrophobicContact CB-CD1 3.74Å; P6-I220 HydrophobicContact CG-CD1 3.58Å; L8-I220 HydrophobicContact CB-CG2 4.16Å; C205-I220 HydrophobicContact CB-CB 4.47Å; C205-I220 WeakPolarHBondContact CB-O 3.23Å; C205-I220 PolarHBondContact N-O 3.48Å; I216-I220 HydrophobicContact CG2-CB 3.96Å; I216-I220 HydrophobicContact CG2-CG2 3.96Å; E217-I220 HydrophobicContact CB-CG1 4.13Å; E217-I220 WeakPolarHBondContact O-CB 3.49Å; E217-I220 VanDerWaalsContact O-CG1 3.25Å; E217-I220 WeakPolarHBondContact O-CG1 3.37Å; E217-I220 PolarHBondContact O-N 3.21Å
221H89.9Confident93Very high7 Ų745.2 Ų45.23%0.03227%0.265CS..EExtended strand (participates in β ladder)trans-89.5135.1172.7-67.4-62.7000109.9P6 I7 L8 R203P6-H221 PolarHBondContact O-N 3.25Å; I7-H221 CarbonylContact C-O 3.5Å; I7-H221 WeakPolarHBondContact CA-O 3.32Å; I7-H221 HydrophobicContact CG1-CB 4.26Å; I7-H221 HydrophobicContact CG2-CB 4.48Å; L8-H221 PolarHBondContact N-O 2.63Å; R203-H221 WeakPolarHBondContact O-CA 3.45Å
222V93.2Very high93Very high0 Ų047.5 Ų47.50%028%0.278CS..EExtended strand (participates in β ladder)trans-108.8127.4172-176.10000108.2L8 V10 I19 F27 S202 R203L8-V222 HydrophobicContact CB-CG2 4.44Å; L8-V222 HydrophobicContact CD2-CG2 4.32Å; L8-V222 CarbonylContact O-C 3.57Å; L8-V222 VanDerWaalsContact O-CA 3.28Å; L8-V222 WeakPolarHBondContact O-CA 3.42Å; V10-V222 HydrophobicContact CB-CG1 4.48Å; V10-V222 HydrophobicContact CG2-CG1 3.76Å; I19-V222 HydrophobicContact CD1-CG1 3.87Å; I19-V222 HydrophobicContact CD1-CG2 4.41Å; I19-V222 HydrophobicContact CG2-CG1 4.31Å; F27-V222 HydrophobicContact CD1-CG2 4.25Å; F27-V222 HydrophobicContact CE1-CG2 3.84Å; S202-V222 CarbonylContact C-O 3.59Å; S202-V222 WeakPolarHBondContact CA-O 3.36Å; S202-V222 WeakPolarHBondContact CB-O 2.72Å; R203-V222 PolarHBondContact N-O 2.91Å; R203-V222 PolarHBondContact O-N 3.03Å
223L93.3Very high93.3Very high54 Ų5448.6 Ų48.628%0.28326%0.26SS..EExtended strand (participates in β ladder)trans-112.7121.7173179.264.4000108.4I7 L8 V9 V10 V200 D225I7-L223 HydrophobicContact CG2-CB 3.92Å; L8-L223 PolarHBondContact O-N 3.01Å; V9-L223 CarbonylContact C-O 3.53Å; V9-L223 WeakPolarHBondContact CA-O 3.13Å; V9-L223 HydrophobicContact CG2-CD2 4.46Å; V10-L223 PolarHBondContact N-O 2.89Å; V200-L223 HydrophobicContact CG1-CD1 3.62Å; L223-D225 PolarHBondContact O-N 2.69Å
224A94.3Very high93.4Very high4 Ų452.7 Ų52.73%0.03327%0.265CS..EExtended strand (participates in β ladder)trans-73.4124166.800000108.7V10 L16 F20 V201 V226 I262V10-A224 WeakPolarHBondContact O-CA 3.34Å; L16-A224 HydrophobicContact CD1-CB 3.98Å; L16-A224 HydrophobicContact CD2-CB 3.77Å; F20-A224 HydrophobicContact CE2-CB 3.93Å; F20-A224 HydrophobicContact CZ-CB 3.69Å; V201-A224 HydrophobicContact CB-CB 4.14Å; V201-A224 HydrophobicContact CG1-CB 4.12Å; V201-A224 PolarHBondContact O-N 3.06Å; A224-V226 HydrophobicContact CB-CG2 4.36Å; A224-V226 PolarHBondContact O-N 3.49Å; A224-I262 HydrophobicContact CB-CD1 4.21Å
225D94.4Very high93.4Very high43 Ų4350.6 Ų50.623%0.2325%0.254CS..  trans-80.378.1173.6-169.6-8.7000109.8V9 V10 L223 W227 T228 I229V9-D225 HydrophobicContact CG1-CB 3.74Å; V10-D225 PolarHBondContact O-N 3.47Å; L223-D225 PolarHBondContact O-N 2.69Å; D225-W227 PolarHBondContact O-N 3.21Å; D225-W227 PolarHBondContact OD1-N 3.16Å; D225-T228 VanDerWaalsContact CG-CB 3.45Å; D225-T228 PolarHBondContact O-N 3.38Å; D225-T228 PolarHBondContact OD1-N 3Å; D225-T228 PolarHBondContact OD1-OG1 3.3Å; D225-T228 VanDerWaalsContact OD2-CB 3.28Å; D225-T228 WeakPolarHBondContact OD2-CB 3.48Å; D225-T228 PolarHBondContact OD2-OG1 2.88Å; D225-I229 WeakPolarHBondContact O-CD1 3.49Å; D225-I229 VanDerWaalsContact O-CG1 3.28Å; D225-I229 WeakPolarHBondContact O-CG1 3.17Å; D225-I229 PolarHBondContact O-N 3.37Å
226V93.1Very high93.3Very high6 Ų647.3 Ų47.34%0.03623%0.233CC..Hα-helixtrans-60.1-33-178.5-173.30000111.1P197 V201 A224 I229 H230 I262P197-V226 HydrophobicContact CB-CB 4.21Å; P197-V226 HydrophobicContact CB-CG1 3.69Å; P197-V226 HydrophobicContact CG-CG1 3.96Å; V201-V226 HydrophobicContact CB-CG2 3.99Å; V201-V226 HydrophobicContact CG2-CG2 3.76Å; A224-V226 HydrophobicContact CB-CG2 4.36Å; A224-V226 PolarHBondContact O-N 3.49Å; V226-I229 PolarHBondContact O-N 2.84Å; V226-H230 VanDerWaalsContact CG1-CE1 3.42Å; V226-H230 WeakPolarHBondContact CG1-CE1 3.39Å; V226-H230 WeakPolarHBondContact O-CB 3.44Å; V226-H230 PolarHBondContact O-CD2 3.19Å; V226-H230 PolarHBondContact O-N 3.24Å; V226-I262 HydrophobicContact CG1-CG1 4.23Å; V226-I262 HydrophobicContact CG2-CD1 4.16Å; V226-I262 HydrophobicContact CG2-CG1 4.23Å
227W92.2Very high93.2Very high88 Ų8848.1 Ų48.133%0.33324%0.242SC..Hα-helixtrans-63.9-53177-7492.2000111L195 P197 D225 I229 H230 Y231 R312L195-W227 WeakPolarHBondContact O-CZ3 3.39Å; P197-W227 HydrophobicContact CG-CD2 4.2Å; P197-W227 HydrophobicContact CG-CE3 4.48Å; D225-W227 PolarHBondContact O-N 3.21Å; D225-W227 PolarHBondContact OD1-N 3.16Å; W227-I229 VanDerWaalsContact C-N 3.27Å; W227-I229 PolarHBondContact O-N 2.8Å; W227-H230 PolarHBondContact O-N 3.37Å; W227-Y231 HydrophobicContact CE3-CD2 4.22Å; W227-Y231 AromaticContact CE3-CE2 3.64Å; W227-Y231 HydrophobicContact CE3-CE2 3.64Å; W227-Y231 AromaticContact CZ3-CE2 3.86Å; W227-Y231 HydrophobicContact CZ3-CE2 3.86Å; W227-Y231 VanDerWaalsContact O-CD2 3.32Å; W227-Y231 WeakPolarHBondContact O-CD2 3.32Å; W227-Y231 PolarHBondContact O-N 3.17Å; W227-R312 HydrophobicContact CH2-CB 4.07Å; W227-R312 HydrophobicContact CH2-CG 4.2Å; W227-R312 HydrophobicContact CZ3-CB 4.05Å; W227-R312 HydrophobicContact CZ3-CG 4.31Å
228T93.9Very high93.2Very high65 Ų6547.3 Ų47.340%0.39925%0.248SC..Hα-helixtrans-59.2-40.5177.5-65.60000111.5D225 N232D225-T228 VanDerWaalsContact CG-CB 3.45Å; D225-T228 PolarHBondContact O-N 3.38Å; D225-T228 PolarHBondContact OD1-N 3Å; D225-T228 PolarHBondContact OD1-OG1 3.3Å; D225-T228 VanDerWaalsContact OD2-CB 3.28Å; D225-T228 WeakPolarHBondContact OD2-CB 3.48Å; D225-T228 PolarHBondContact OD2-OG1 2.88Å; T228-N232 WeakPolarHBondContact O-CB 3.28Å; T228-N232 PolarHBondContact O-N 3.03Å
229I95.4Very high93.2Very high1 Ų143.4 Ų43.41%0.00523%0.234CC..Hα-helixtrans-64.8-43177.9-64.3160.8000111.8S11 L13 L16 D225 V226 W227 Y231 I235 W236 A260 I262S11-I229 WeakPolarHBondContact O-CG1 3.43Å; L13-I229 HydrophobicContact CD2-CD1 4.28Å; L13-I229 HydrophobicContact CD2-CG1 4.19Å; L13-I229 HydrophobicContact CD2-CG2 3.74Å; L16-I229 HydrophobicContact CD1-CD1 3.36Å; D225-I229 WeakPolarHBondContact O-CD1 3.49Å; D225-I229 VanDerWaalsContact O-CG1 3.28Å; D225-I229 WeakPolarHBondContact O-CG1 3.17Å; D225-I229 PolarHBondContact O-N 3.37Å; V226-I229 PolarHBondContact O-N 2.84Å; W227-I229 VanDerWaalsContact C-N 3.27Å; W227-I229 PolarHBondContact O-N 2.8Å; I229-Y231 VanDerWaalsContact C-N 3.33Å; I229-Y231 PolarHBondContact O-N 3.35Å; I229-I235 HydrophobicContact CG2-CD1 4.29Å; I229-W236 PolarHBondContact O-NE1 3.19Å; I229-A260 WeakPolarHBondContact CG2-O 3.3Å; I229-I262 HydrophobicContact CD1-CD1 4Å
230H94.9Very high93.5Very high0 Ų042.7 Ų42.70%023%0.226CC..Hα-helixtrans-76.2-20.8-174.7-74.5-166.1000113.5R194 P197 V226 W227 W236 A260 I262R194-H230 WeakPolarHBondContact CA-ND1 3.46Å; R194-H230 HydrophobicContact CG-CB 3.86Å; R194-H230 PolarHBondContact NH1-O 2.65Å; R194-H230 VanDerWaalsContact O-CB 3.25Å; R194-H230 WeakPolarHBondContact O-CB 3.28Å; R194-H230 PolarHBondContact O-ND1 3.39Å; P197-H230 HydrophobicContact CG-CB 4.36Å; P197-H230 WeakPolarHBondContact CG-ND1 3.28Å; V226-H230 VanDerWaalsContact CG1-CE1 3.42Å; V226-H230 WeakPolarHBondContact CG1-CE1 3.39Å; V226-H230 WeakPolarHBondContact O-CB 3.44Å; V226-H230 PolarHBondContact O-CD2 3.19Å; V226-H230 PolarHBondContact O-N 3.24Å; W227-H230 PolarHBondContact O-N 3.37Å; H230-W236 VanDerWaalsContact O-CD1 3.22Å; H230-W236 PolarHBondContact O-NE1 3.4Å; H230-A260 PolarHBondContact CD2-O 3.04Å; H230-A260 PolarHBondContact NE2-O 3.23Å; H230-A260 VanDerWaalsContact NE2-O 3.13Å; H230-I262 PolarHBondContact NE2-N 3.18Å
231Y94.6Very high93.6Very high36 Ų3644 Ų4414%0.14123%0.234CC..Hα-helixtrans-106.33176.7-75.1-99.8000113.4L195 W227 I229 K233 D241 R312L195-Y231 WeakPolarHBondContact CA-OH 3.49Å; L195-Y231 HydrophobicContact CD2-CE1 3.89Å; L195-Y231 WeakPolarHBondContact O-CE2 3.45Å; L195-Y231 PolarHBondContact O-OH 3.02Å; W227-Y231 HydrophobicContact CE3-CD2 4.22Å; W227-Y231 AromaticContact CE3-CE2 3.64Å; W227-Y231 HydrophobicContact CE3-CE2 3.64Å; W227-Y231 AromaticContact CZ3-CE2 3.86Å; W227-Y231 HydrophobicContact CZ3-CE2 3.86Å; W227-Y231 VanDerWaalsContact O-CD2 3.32Å; W227-Y231 WeakPolarHBondContact O-CD2 3.32Å; W227-Y231 PolarHBondContact O-N 3.17Å; I229-Y231 VanDerWaalsContact C-N 3.33Å; I229-Y231 PolarHBondContact O-N 3.35Å; Y231-K233 PolarHBondContact O-N 3.06Å; Y231-K233 VanDerWaalsContact O-N 3.15Å; Y231-D241 WeakPolarHBondContact CD1-OD1 3.28Å; Y231-R312 PolarHBondContact OH-NH1 3.48Å
232N94.3Very high93.8Very high53 Ų5347.2 Ų47.228%0.28325%0.249SC..  trans-66.7115.6178.9-172.2-20.7000110.6T228 D234 I235 W236T228-N232 WeakPolarHBondContact O-CB 3.28Å; T228-N232 PolarHBondContact O-N 3.03Å; N232-D234 VanDerWaalsContact C-N 3.26Å; N232-D234 PolarHBondContact O-N 3.09Å; N232-D234 VanDerWaalsContact OD1-CB 3.31Å; N232-D234 WeakPolarHBondContact OD1-CB 3.31Å; N232-D234 PolarHBondContact OD1-N 3.47Å; N232-I235 HydrophobicContact CB-CB 4.29Å; N232-I235 HydrophobicContact CB-CD1 3.88Å; N232-I235 HydrophobicContact CB-CG1 4.03Å; N232-I235 PolarHBondContact O-N 2.78Å; N232-I235 VanDerWaalsContact O-N 3.08Å; N232-W236 PolarHBondContact O-N 3.19Å
233K94.8Very high93.9Very high102 Ų10247.6 Ų47.644%0.44325%0.25SS..Hα-helixtrans-68-23.6-179.3-64-172.3176.6-164.70113.6Y231 I235 G237 P238 A240 D241Y231-K233 PolarHBondContact O-N 3.06Å; Y231-K233 VanDerWaalsContact O-N 3.15Å; K233-I235 PolarHBondContact O-N 3.06Å; K233-G237 WeakPolarHBondContact CA-O 3.44Å; K233-G237 WeakPolarHBondContact CB-O 3.47Å; K233-G237 CarbonylContact O-C 3.55Å; K233-G237 VanDerWaalsContact O-CA 3.28Å; K233-G237 WeakPolarHBondContact O-CA 3.34Å; K233-G237 PolarHBondContact O-N 3.46Å; K233-P238 PolarHBondContact NZ-O 3.17Å; K233-A240 HydrophobicContact CG-CB 4.03Å; K233-D241 WeakPolarHBondContact CE-OD2 3.31Å; K233-D241 IonicContact NZ-OD2 2.93Å; K233-D241 PolarHBondContact NZ-OD2 3.32Å
234D93.6Very high94Very high156 Ų15647 Ų4783%0.83425%0.249SC*.Hα-helixtrans-70.9-24.3173.5-57.8-29.2000111.7N232N232-D234 VanDerWaalsContact C-N 3.26Å; N232-D234 PolarHBondContact O-N 3.09Å; N232-D234 VanDerWaalsContact OD1-CB 3.31Å; N232-D234 WeakPolarHBondContact OD1-CB 3.31Å; N232-D234 PolarHBondContact OD1-N 3.47Å
235I93.1Very high94.1Very high42 Ų4246.8 Ų46.822%0.21525%0.247CC..Hα-helixtrans-93.9-44.3178.2-59175.5000111L13 I229 N232 K233 L256 A260L13-I235 HydrophobicContact CD1-CD1 3.65Å; L13-I235 HydrophobicContact CD1-CG1 4.41Å; L13-I235 HydrophobicContact CD2-CD1 4.46Å; L13-I235 HydrophobicContact CG-CD1 4.2Å; I229-I235 HydrophobicContact CG2-CD1 4.29Å; N232-I235 HydrophobicContact CB-CB 4.29Å; N232-I235 HydrophobicContact CB-CD1 3.88Å; N232-I235 HydrophobicContact CB-CG1 4.03Å; N232-I235 PolarHBondContact O-N 2.78Å; N232-I235 VanDerWaalsContact O-N 3.08Å; K233-I235 PolarHBondContact O-N 3.06Å; I235-L256 HydrophobicContact CG2-CD2 4.38Å; I235-A260 HydrophobicContact CG2-CB 3.66Å
236W93Very high94Very high14 Ų1448.2 Ų48.25%0.05325%0.253CS..Hα-helixtrans-108.6-6.9-166.3-64101.7000114.9R194 I229 H230 N232 A240 R247 F248 L256 A260 W261R194-W236 VanDerWaalsContact CD-CE3 3.45Å; R194-W236 HydrophobicContact CG-CH2 4.21Å; R194-W236 HydrophobicContact CG-CZ2 4Å; I229-W236 PolarHBondContact O-NE1 3.19Å; H230-W236 VanDerWaalsContact O-CD1 3.22Å; H230-W236 PolarHBondContact O-NE1 3.4Å; N232-W236 PolarHBondContact O-N 3.19Å; W236-A240 HydrophobicContact CB-CB 3.74Å; W236-R247 PolarHBondContact O-NH1 2.88Å; W236-R247 VanDerWaalsContact O-NH1 3.16Å; W236-F248 AromaticContact CH2-CE1 3.77Å; W236-F248 HydrophobicContact CH2-CE1 3.77Å; W236-F248 AromaticContact CH2-CZ 3.53Å; W236-F248 HydrophobicContact CH2-CZ 3.53Å; W236-F248 AromaticContact CZ3-CE1 3.94Å; W236-F248 HydrophobicContact CZ3-CE1 3.94Å; W236-F248 HydrophobicContact CZ3-CE2 4.29Å; W236-F248 AromaticContact CZ3-CZ 3.6Å; W236-F248 HydrophobicContact CZ3-CZ 3.6Å; W236-L256 HydrophobicContact CE3-CD2 4.4Å; W236-L256 HydrophobicContact CH2-CD1 4.12Å; W236-L256 HydrophobicContact CZ3-CD1 3.9Å; W236-L256 HydrophobicContact CZ3-CD2 4.27Å; W236-A260 HydrophobicContact CZ2-CB 4.08Å; W236-A260 WeakPolarHBondContact CZ2-O 3.28Å; W236-W261 HydrophobicContact CH2-CB 4.1Å; W236-W261 HydrophobicContact CH2-CG 4.5Å; W236-W261 HydrophobicContact CZ2-CB 4.3Å
237G92.2Very high94Very high21 Ų2149.5 Ų49.522%0.21626%0.257CS..  trans95.3172.4-177.500000114.2K233 D239 A240K233-G237 WeakPolarHBondContact CA-O 3.44Å; K233-G237 WeakPolarHBondContact CB-O 3.47Å; K233-G237 CarbonylContact O-C 3.55Å; K233-G237 VanDerWaalsContact O-CA 3.28Å; K233-G237 WeakPolarHBondContact O-CA 3.34Å; K233-G237 PolarHBondContact O-N 3.46Å; G237-D239 PolarHBondContact O-N 3.45Å; G237-A240 WeakPolarHBondContact O-CB 3.42Å; G237-A240 PolarHBondContact O-N 2.95Å; G237-A240 VanDerWaalsContact O-N 3.13Å
238P93.8Very high94Very high112 Ų11245.6 Ų45.673%0.72724%0.242SC*.THydrogen-bonded Turntrans-63-25.2-174.725.4-34.7000113.7K233K233-P238 PolarHBondContact NZ-O 3.17Å
239D94.5Very high93.7Very high63 Ų6344 Ų4434%0.33724%0.235SC..THydrogen-bonded Turntrans-96.221.1-18062.6-21.9000112.6G237 D241 E242 R247G237-D239 PolarHBondContact O-N 3.45Å; D239-D241 PolarHBondContact O-N 3.06Å; D239-E242 HydrophobicContact CB-CB 4.49Å; D239-E242 HydrophobicContact CB-CG 4.4Å; D239-E242 WeakPolarHBondContact O-CB 3.37Å; D239-E242 PolarHBondContact O-N 3.44Å; D239-R247 PolarHBondContact O-NH2 2.87Å; D239-R247 IonicContact OD1-CZ 3.37Å; D239-R247 IonicContact OD1-NH1 3.92Å; D239-R247 PolarHBondContact OD1-NH1 3.08Å; D239-R247 IonicContact OD1-NH2 3.17Å; D239-R247 PolarHBondContact OD1-NH2 3.36Å; D239-R247 IonicContact OD2-CZ 2.69Å; D239-R247 IonicContact OD2-NH1 3.37Å; D239-R247 PolarHBondContact OD2-NH1 2.93Å; D239-R247 VanDerWaalsContact OD2-NH1 3.16Å; D239-R247 IonicContact OD2-NH2 2.8Å; D239-R247 PolarHBondContact OD2-NH2 3.45Å
240A94.2Very high92.7Very high0 Ų050 Ų500%026%0.264CS..THydrogen-bonded Turntrans-53.3-24.3177.300000114.4R194 K233 W236 G237 E242R194-A240 VanDerWaalsContact CZ-O 3.29Å; R194-A240 PolarHBondContact NH1-O 2.97Å; R194-A240 PolarHBondContact NH2-O 3.13Å; K233-A240 HydrophobicContact CG-CB 4.03Å; W236-A240 HydrophobicContact CB-CB 3.74Å; G237-A240 WeakPolarHBondContact O-CB 3.42Å; G237-A240 PolarHBondContact O-N 2.95Å; G237-A240 VanDerWaalsContact O-N 3.13Å; A240-E242 VanDerWaalsContact C-N 3.31Å
241D92.3Very high91.5Very high58 Ų5855.3 Ų55.331%0.3129%0.292SS..THydrogen-bonded Turntrans-78.7-13.6177.6-59.2-66.9000113.4Y231 K233 D239Y231-D241 WeakPolarHBondContact CD1-OD1 3.28Å; K233-D241 WeakPolarHBondContact CE-OD2 3.31Å; K233-D241 IonicContact NZ-OD2 2.93Å; K233-D241 PolarHBondContact NZ-OD2 3.32Å; D239-D241 PolarHBondContact O-N 3.06Å
242E94.4Very high90.5Very high74 Ų7458 Ų5835%0.34631%0.305SS..SBendtrans-97.3152-175.8-59.1-57146.900112.3E191 R194 D239 A240 V244E191-E242 VanDerWaalsContact OE1-O 3.08Å; R194-E242 PolarHBondContact NH2-O 2.95Å; R194-E242 VanDerWaalsContact NH2-O 3.16Å; D239-E242 HydrophobicContact CB-CB 4.49Å; D239-E242 HydrophobicContact CB-CG 4.4Å; D239-E242 WeakPolarHBondContact O-CB 3.37Å; D239-E242 PolarHBondContact O-N 3.44Å; A240-E242 VanDerWaalsContact C-N 3.31Å; E242-V244 HydrophobicContact CB-CG2 4.32Å; E242-V244 PolarHBondContact O-N 3.49Å
243F95.7Very high89.5Confident7 Ų758.1 Ų58.13%0.03131%0.306CS..  trans-85.497.9179.3-174.6-108.2000110.8E156 H160 I163 V188 E191 L195 P245E156-F243 HydrophobicContact CB-CD1 3.91Å; E156-F243 HydrophobicContact CB-CD2 4.02Å; E156-F243 HydrophobicContact CB-CE1 3.79Å; E156-F243 HydrophobicContact CB-CE2 3.91Å; E156-F243 HydrophobicContact CB-CG 4.02Å; E156-F243 HydrophobicContact CB-CZ 3.79Å; E156-F243 HydrophobicContact CG-CD1 4.46Å; E156-F243 HydrophobicContact CG-CD2 3.83Å; E156-F243 HydrophobicContact CG-CE2 4.02Å; E156-F243 HydrophobicContact CG-CG 4.07Å; E156-F243 HydrophobicContact CG-CZ 4.41Å; H160-F243 AromaticContact ND1-CD1 3.8Å; I163-F243 HydrophobicContact CD1-CD1 3.74Å; I163-F243 HydrophobicContact CD1-CE1 4.07Å; I163-F243 HydrophobicContact CG2-CE1 4.1Å; V188-F243 HydrophobicContact CG1-CZ 4.18Å; E191-F243 HydrophobicContact CB-CD2 4.2Å; E191-F243 HydrophobicContact CB-CE2 3.85Å; E191-F243 HydrophobicContact CG-CD2 3.41Å; E191-F243 VanDerWaalsContact CG-CD2 3.41Å; E191-F243 HydrophobicContact CG-CE2 3.6Å; E191-F243 HydrophobicContact CG-CG 4.15Å; E191-F243 HydrophobicContact CG-CZ 4.46Å; L195-F243 HydrophobicContact CD1-CB 3.8Å; L195-F243 HydrophobicContact CD1-CD2 3.75Å; L195-F243 HydrophobicContact CD1-CG 4.28Å; F243-P245 HydrophobicContact CD1-CG 4.3Å; F243-P245 HydrophobicContact CE1-CG 3.83Å; F243-P245 HydrophobicContact CZ-CG 4.13Å
244V95.6Very high88.6Confident41 Ų4161.2 Ų61.225%0.24832%0.322CS..  trans-126.991.2-178.6-177.50000109.5E191 E242 E246 R247E191-V244 PolarHBondContact OE1-N 2.98Å; E242-V244 HydrophobicContact CB-CG2 4.32Å; E242-V244 PolarHBondContact O-N 3.49Å; V244-E246 HydrophobicContact CG1-CB 4.19Å; V244-E246 PolarHBondContact O-N 2.91Å; V244-R247 HydrophobicContact CB-CG 4.14Å; V244-R247 HydrophobicContact CG1-CG 4.16Å; V244-R247 WeakPolarHBondContact O-CB 3.38Å; V244-R247 VanDerWaalsContact O-CG 3.3Å; V244-R247 WeakPolarHBondContact O-CG 3.4Å; V244-R247 PolarHBondContact O-N 3.24Å
245P96.2Very high88Confident0 Ų058.2 Ų58.20%031%0.313CS..G310 helixtrans-52.8-36.3178.7-29.236.9000113.7I163 Y184 C187 V188 F243 R247 F248I163-P245 HydrophobicContact CD1-CG 4.05Å; I163-P245 HydrophobicContact CG2-CG 3.88Å; Y184-P245 HydrophobicContact CE2-CB 3.98Å; C187-P245 HydrophobicContact CB-CB 3.93Å; C187-P245 VanDerWaalsContact CB-O 3.29Å; C187-P245 WeakPolarHBondContact CB-O 3.39Å; V188-P245 HydrophobicContact CG2-CB 3.96Å; V188-P245 HydrophobicContact CG2-CG 3.84Å; F243-P245 HydrophobicContact CD1-CG 4.3Å; F243-P245 HydrophobicContact CE1-CG 3.83Å; F243-P245 HydrophobicContact CZ-CG 4.13Å; P245-R247 PolarHBondContact O-N 2.88Å; P245-F248 PolarHBondContact O-N 3.49Å
246E93.3Very high87.7Confident74 Ų7458.1 Ų58.135%0.34631%0.313SS..G310 helixtrans-56-19.5-178.2-72.173.8-16800113.8K166 Y184 V244 F248 A249K166-E246 IonicContact NZ-OE1 3.39Å; K166-E246 PolarHBondContact NZ-OE1 3.44Å; Y184-E246 WeakPolarHBondContact CE2-OE1 3.39Å; Y184-E246 PolarHBondContact OH-OE1 2.84Å; V244-E246 HydrophobicContact CG1-CB 4.19Å; V244-E246 PolarHBondContact O-N 2.91Å; E246-F248 PolarHBondContact O-N 3.13Å; E246-F248 VanDerWaalsContact O-N 3.11Å; E246-A249 VanDerWaalsContact O-CB 3.24Å; E246-A249 WeakPolarHBondContact O-CB 3.42Å; E246-A249 PolarHBondContact O-N 2.87Å
247R91.8Very high87.6Confident32 Ų3259.9 Ų59.912%0.12132%0.321CS..G310 helixtrans-57.6-23.5172.2-65-178.9-155.8-63.1-15.2113.6E191 W236 D239 V244 P245 Q252E191-R247 IonicContact OE1-NE 3.58Å; E191-R247 PolarHBondContact OE1-NE 3.01Å; W236-R247 PolarHBondContact O-NH1 2.88Å; W236-R247 VanDerWaalsContact O-NH1 3.16Å; D239-R247 PolarHBondContact O-NH2 2.87Å; D239-R247 IonicContact OD1-CZ 3.37Å; D239-R247 IonicContact OD1-NH1 3.92Å; D239-R247 PolarHBondContact OD1-NH1 3.08Å; D239-R247 IonicContact OD1-NH2 3.17Å; D239-R247 PolarHBondContact OD1-NH2 3.36Å; D239-R247 IonicContact OD2-CZ 2.69Å; D239-R247 IonicContact OD2-NH1 3.37Å; D239-R247 PolarHBondContact OD2-NH1 2.93Å; D239-R247 VanDerWaalsContact OD2-NH1 3.16Å; D239-R247 IonicContact OD2-NH2 2.8Å; D239-R247 PolarHBondContact OD2-NH2 3.45Å; V244-R247 HydrophobicContact CB-CG 4.14Å; V244-R247 HydrophobicContact CG1-CG 4.16Å; V244-R247 WeakPolarHBondContact O-CB 3.38Å; V244-R247 VanDerWaalsContact O-CG 3.3Å; V244-R247 WeakPolarHBondContact O-CG 3.4Å; V244-R247 PolarHBondContact O-N 3.24Å; P245-R247 PolarHBondContact O-N 2.88Å; R247-Q252 VanDerWaalsContact O-CB 3.31Å; R247-Q252 WeakPolarHBondContact O-CB 3.46Å
248F93.1Very high87.6Confident7 Ų763.8 Ų63.83%0.03134%0.343CS..G310 helixtrans-102.511179.3-67.4-77.3000113.6C187 R190 E191 R194 W236 P245 E246 L253 W261C187-F248 HydrophobicContact CB-CB 4.34Å; R190-F248 HydrophobicContact CB-CB 4.22Å; R190-F248 HydrophobicContact CB-CD1 3.8Å; R190-F248 HydrophobicContact CB-CD2 3.56Å; R190-F248 HydrophobicContact CB-CE1 3.99Å; R190-F248 HydrophobicContact CB-CE2 3.77Å; R190-F248 HydrophobicContact CB-CG 3.57Å; R190-F248 HydrophobicContact CB-CZ 3.99Å; R190-F248 HydrophobicContact CG-CD1 4.33Å; R190-F248 HydrophobicContact CG-CG 4.38Å; E191-F248 HydrophobicContact CB-CD2 4.12Å; E191-F248 HydrophobicContact CB-CE2 4.05Å; E191-F248 VanDerWaalsContact OE2-CE2 3.25Å; E191-F248 WeakPolarHBondContact OE2-CE2 3.4Å; R194-F248 HydrophobicContact CB-CE2 4.33Å; R194-F248 HydrophobicContact CB-CZ 4.18Å; W236-F248 AromaticContact CH2-CE1 3.77Å; W236-F248 HydrophobicContact CH2-CE1 3.77Å; W236-F248 AromaticContact CH2-CZ 3.53Å; W236-F248 HydrophobicContact CH2-CZ 3.53Å; W236-F248 AromaticContact CZ3-CE1 3.94Å; W236-F248 HydrophobicContact CZ3-CE1 3.94Å; W236-F248 HydrophobicContact CZ3-CE2 4.29Å; W236-F248 AromaticContact CZ3-CZ 3.6Å; W236-F248 HydrophobicContact CZ3-CZ 3.6Å; P245-F248 PolarHBondContact O-N 3.49Å; E246-F248 PolarHBondContact O-N 3.13Å; E246-F248 VanDerWaalsContact O-N 3.11Å; F248-L253 HydrophobicContact CB-CD2 4.39Å; F248-L253 HydrophobicContact CD1-CD2 3.77Å; F248-W261 HydrophobicContact CE1-CB 4.34Å; F248-W261 AromaticContact CE1-CD1 3.6Å; F248-W261 HydrophobicContact CE1-CD2 4.43Å; F248-W261 AromaticContact CE1-CG 3.88Å; F248-W261 HydrophobicContact CE1-CG 3.88Å; F248-W261 AromaticContact CE1-NE1 3.94Å; F248-W261 AromaticContact CZ-CD1 3.38Å; F248-W261 HydrophobicContact CZ-CG 4.12Å; F248-W261 AromaticContact CZ-NE1 3.61Å
249A87.7Confident87.6Confident30 Ų3058.6 Ų58.625%0.24831%0.309CS..SBendtrans-59.1150167.900000110.4E246 D251 Q252 L253E246-A249 VanDerWaalsContact O-CB 3.24Å; E246-A249 WeakPolarHBondContact O-CB 3.42Å; E246-A249 PolarHBondContact O-N 2.87Å; A249-D251 VanDerWaalsContact CB-OD1 3.24Å; A249-D251 WeakPolarHBondContact CB-OD1 3.19Å; A249-D251 PolarHBondContact O-N 2.81Å; A249-D251 VanDerWaalsContact O-N 3.13Å; A249-Q252 PolarHBondContact O-N 2.81Å; A249-L253 PolarHBondContact O-N 3.44Å
250E74.5Confident87.6Confident129 Ų12955.6 Ų55.660%0.60329%0.293SS*.Hα-helixtrans-58.1-33-165.7-163.7165.9-157.200113.4M183 Q252M183-E250 HydrophobicContact CE-CB 4.37Å; M183-E250 WeakPolarHBondContact CE-OE2 3.46Å; E250-Q252 VanDerWaalsContact C-N 3.33Å; E250-Q252 PolarHBondContact O-N 3.21Å
251D69.6Low87.6Confident111 Ų11157.5 Ų57.559%0.59430%0.3SS*.Hα-helixtrans-67.1-28.4177.161.6-48.3000113.7A249A249-D251 VanDerWaalsContact CB-OD1 3.24Å; A249-D251 WeakPolarHBondContact CB-OD1 3.19Å; A249-D251 PolarHBondContact O-N 2.81Å; A249-D251 VanDerWaalsContact O-N 3.13Å
252Q72.6Confident87.8Confident91 Ų9154.8 Ų54.843%0.42529%0.286SS..Hα-helixtrans-89.7-19.2-176.5-58.8-61.3-49.300113.2R247 A249 E250 H254 S255R247-Q252 VanDerWaalsContact O-CB 3.31Å; R247-Q252 WeakPolarHBondContact O-CB 3.46Å; A249-Q252 PolarHBondContact O-N 2.81Å; E250-Q252 VanDerWaalsContact C-N 3.33Å; E250-Q252 PolarHBondContact O-N 3.21Å; Q252-H254 PolarHBondContact O-N 3.39Å; Q252-S255 PolarHBondContact O-OG 2.79Å
253L74.5Confident87.7Confident56 Ų5651.4 Ų51.429%0.29327%0.27SS..Hα-helixtrans-70.6-31.7-173.2-69.4176.3000113.5F248 A249 S255 L256F248-L253 HydrophobicContact CB-CD2 4.39Å; F248-L253 HydrophobicContact CD1-CD2 3.77Å; A249-L253 PolarHBondContact O-N 3.44Å; L253-S255 VanDerWaalsContact C-N 3.33Å; L253-S255 PolarHBondContact O-N 2.82Å; L253-L256 HydrophobicContact CD2-CD1 4.46Å; L253-L256 PolarHBondContact O-N 3.44Å
254H75.5Confident87.6Confident167 Ų16752.3 Ų52.377%0.77327%0.274SS*.THydrogen-bonded Turntrans-72.4-25.6-174.8-69.7-68.1000113.6Q252Q252-H254 PolarHBondContact O-N 3.39Å
255S80.7Confident87.4Confident94 Ų9450.6 Ų50.666%0.65727%0.265SS*.THydrogen-bonded Turntrans-81.4-15.9176.640.50000113.6Q252 L253Q252-S255 PolarHBondContact O-OG 2.79Å; L253-S255 VanDerWaalsContact C-N 3.33Å; L253-S255 PolarHBondContact O-N 2.82Å
256L86.9Confident87.3Confident39 Ų3950.6 Ų50.620%0.20427%0.265CS..SBendtrans-78.7136.5-178.1-69.4171.8000111.3I235 W236 L253I235-L256 HydrophobicContact CG2-CD2 4.38Å; W236-L256 HydrophobicContact CE3-CD2 4.4Å; W236-L256 HydrophobicContact CH2-CD1 4.12Å; W236-L256 HydrophobicContact CZ3-CD1 3.9Å; W236-L256 HydrophobicContact CZ3-CD2 4.27Å; L253-L256 HydrophobicContact CD2-CD1 4.46Å; L253-L256 PolarHBondContact O-N 3.44Å
257H91.3Very high87.3Confident51 Ų5148.2 Ų48.224%0.23626%0.26CS..  trans-57.4137.6170.3-176.4-89.1000109.9L13 E14 L259 A260L13-H257 HydrophobicContact CD1-CB 3.58Å; E14-H257 IonicContact OE1-NE2 2.72Å; H257-L259 PolarHBondContact ND1-N 3.42Å; H257-L259 VanDerWaalsContact ND1-N 3.12Å; H257-L259 PolarHBondContact O-N 2.89Å; H257-A260 HydrophobicContact CB-CB 4.43Å; H257-A260 WeakPolarHBondContact O-CB 3.49Å; H257-A260 PolarHBondContact O-N 3.2Å
258P90.7Very high87.3Confident104 Ų10449.4 Ų49.468%0.67527%0.272SS*.THydrogen-bonded Turntrans-58.6-16.8-175-27.535.1000115.8
259L94.3Very high87.2Confident3 Ų349.3 Ų49.32%0.01627%0.271CS..THydrogen-bonded Turntrans-106.85.9176.8-57.8-178.9000114.2L13 L16 N17 I21 H257 W261 I262 A266L13-L259 HydrophobicContact CD2-CB 4.21Å; L16-L259 HydrophobicContact CB-CD1 3.96Å; N17-L259 VanDerWaalsContact CA-CD1 3.43Å; N17-L259 HydrophobicContact CB-CD1 3.75Å; N17-L259 VanDerWaalsContact N-CD1 3.29Å; I21-L259 HydrophobicContact CD1-CD2 4.39Å; H257-L259 PolarHBondContact ND1-N 3.42Å; H257-L259 VanDerWaalsContact ND1-N 3.12Å; H257-L259 PolarHBondContact O-N 2.89Å; L259-W261 VanDerWaalsContact C-N 3.31Å; L259-I262 HydrophobicContact CB-CG2 4.18Å; L259-I262 HydrophobicContact CD2-CG2 3.91Å; L259-I262 WeakPolarHBondContact O-CG2 3.26Å; L259-A266 HydrophobicContact CD2-CB 3.21Å
260A94.9Very high87.5Confident0 Ų052.3 Ų52.30%028%0.276CS..THydrogen-bonded Turntrans-63.5-38.9172.800000111I229 H230 I235 W236 H257I229-A260 WeakPolarHBondContact CG2-O 3.3Å; H230-A260 PolarHBondContact CD2-O 3.04Å; H230-A260 PolarHBondContact NE2-O 3.23Å; H230-A260 VanDerWaalsContact NE2-O 3.13Å; I235-A260 HydrophobicContact CG2-CB 3.66Å; W236-A260 HydrophobicContact CZ2-CB 4.08Å; W236-A260 WeakPolarHBondContact CZ2-O 3.28Å; H257-A260 HydrophobicContact CB-CB 4.43Å; H257-A260 WeakPolarHBondContact O-CB 3.49Å; H257-A260 PolarHBondContact O-N 3.2Å
261W94.9Very high88.2Confident39 Ų3947.9 Ų47.915%0.14826%0.26CS..  trans-113.193.3178.8-167.681.4000111.8R190 L193 W236 F248 L259 P263 F264R190-W261 HydrophobicContact CB-CZ2 4.01Å; R190-W261 HydrophobicContact CG-CH2 4.1Å; R190-W261 HydrophobicContact CG-CZ2 3.72Å; R190-W261 PolarHBondContact O-NE1 3.48Å; L193-W261 HydrophobicContact CB-CZ2 4.13Å; L193-W261 HydrophobicContact CD1-CZ2 4.18Å; W236-W261 HydrophobicContact CH2-CB 4.1Å; W236-W261 HydrophobicContact CH2-CG 4.5Å; W236-W261 HydrophobicContact CZ2-CB 4.3Å; F248-W261 HydrophobicContact CE1-CB 4.34Å; F248-W261 AromaticContact CE1-CD1 3.6Å; F248-W261 HydrophobicContact CE1-CD2 4.43Å; F248-W261 AromaticContact CE1-CG 3.88Å; F248-W261 HydrophobicContact CE1-CG 3.88Å; F248-W261 AromaticContact CE1-NE1 3.94Å; F248-W261 AromaticContact CZ-CD1 3.38Å; F248-W261 HydrophobicContact CZ-CG 4.12Å; F248-W261 AromaticContact CZ-NE1 3.61Å; L259-W261 VanDerWaalsContact C-N 3.31Å; W261-P263 VanDerWaalsContact CD2-CD 3.43Å; W261-P263 HydrophobicContact CD2-CG 3.78Å; W261-P263 HydrophobicContact CE3-CG 4.06Å; W261-P263 HydrophobicContact CG-CG 4.49Å; W261-P263 HydrophobicContact CH2-CG 3.64Å; W261-P263 HydrophobicContact CZ2-CG 3.31Å; W261-P263 HydrophobicContact CZ3-CG 4Å; W261-F264 HydrophobicContact CH2-CD2 4.04Å; W261-F264 AromaticContact CH2-CE2 3.91Å; W261-F264 HydrophobicContact CH2-CE2 3.91Å; W261-F264 HydrophobicContact CZ3-CD2 4.33Å
262I94.8Very high89.1Confident2 Ų243.5 Ų43.51%0.0124%0.236CC..  trans-123.143.3-17857.2168.4000115.3L16 A224 V226 I229 H230 L259 F264 G265 A266L16-I262 HydrophobicContact CD1-CD1 4.28Å; A224-I262 HydrophobicContact CB-CD1 4.21Å; V226-I262 HydrophobicContact CG1-CG1 4.23Å; V226-I262 HydrophobicContact CG2-CD1 4.16Å; V226-I262 HydrophobicContact CG2-CG1 4.23Å; I229-I262 HydrophobicContact CD1-CD1 4Å; H230-I262 PolarHBondContact NE2-N 3.18Å; L259-I262 HydrophobicContact CB-CG2 4.18Å; L259-I262 HydrophobicContact CD2-CG2 3.91Å; L259-I262 WeakPolarHBondContact O-CG2 3.26Å; I262-F264 PolarHBondContact O-N 3.23Å; I262-F264 VanDerWaalsContact O-N 3.16Å; I262-G265 WeakPolarHBondContact O-CA 3.47Å; I262-G265 PolarHBondContact O-N 2.89Å; I262-A266 HydrophobicContact CG2-CB 3.97Å
263P92.7Very high89.6Confident3 Ų339.4 Ų39.42%0.01922%0.218CC..THydrogen-bonded Turntrans-64.8-22.5178.928.4-32.8000112.9L193 A199 W261L193-P263 HydrophobicContact CB-CB 3.99Å; L193-P263 HydrophobicContact CB-CG 4.02Å; A199-P263 WeakPolarHBondContact CB-O 3.47Å; W261-P263 VanDerWaalsContact CD2-CD 3.43Å; W261-P263 HydrophobicContact CD2-CG 3.78Å; W261-P263 HydrophobicContact CE3-CG 4.06Å; W261-P263 HydrophobicContact CG-CG 4.49Å; W261-P263 HydrophobicContact CH2-CG 3.64Å; W261-P263 HydrophobicContact CZ2-CG 3.31Å; W261-P263 HydrophobicContact CZ3-CG 4Å
264F93.3Very high90.4Very high26 Ų2638.8 Ų38.811%0.11421%0.214CC..THydrogen-bonded Turntrans-99.48.4172.9-62.3-75.9000113L193 W261 I262 R270 C271 E274 A277 L278L193-F264 HydrophobicContact CD1-CE2 3.61Å; L193-F264 HydrophobicContact CD1-CZ 3.69Å; W261-F264 HydrophobicContact CH2-CD2 4.04Å; W261-F264 AromaticContact CH2-CE2 3.91Å; W261-F264 HydrophobicContact CH2-CE2 3.91Å; W261-F264 HydrophobicContact CZ3-CD2 4.33Å; I262-F264 PolarHBondContact O-N 3.23Å; I262-F264 VanDerWaalsContact O-N 3.16Å; F264-R270 HydrophobicContact CB-CG 4.38Å; F264-C271 HydrophobicContact CB-CB 3.79Å; F264-C271 HydrophobicContact CD1-CB 3.93Å; F264-C271 HydrophobicContact CG-CB 4.33Å; F264-C271 WeakPolarHBondContact O-CB 3.35Å; F264-C271 PolarHBondContact O-N 3.02Å; F264-E274 HydrophobicContact CB-CB 4.22Å; F264-E274 HydrophobicContact CB-CG 4.22Å; F264-E274 HydrophobicContact CD1-CB 3.91Å; F264-E274 HydrophobicContact CD1-CG 4.15Å; F264-E274 HydrophobicContact CD2-CB 4.36Å; F264-E274 HydrophobicContact CD2-CG 3.7Å; F264-E274 HydrophobicContact CE1-CB 4.38Å; F264-E274 HydrophobicContact CE1-CG 4.48Å; F264-E274 HydrophobicContact CE2-CG 4.07Å; F264-E274 HydrophobicContact CG-CB 3.89Å; F264-E274 HydrophobicContact CG-CG 3.74Å; F264-E274 HydrophobicContact CZ-CG 4.44Å; F264-A277 HydrophobicContact CE1-CB 3.7Å; F264-A277 HydrophobicContact CZ-CB 3.92Å; F264-L278 HydrophobicContact CE2-CD2 4.03Å; F264-L278 HydrophobicContact CE2-CG 4.26Å; F264-L278 HydrophobicContact CZ-CD2 4.14Å; F264-L278 HydrophobicContact CZ-CG 4.26Å
265G92.9Very high91Very high4 Ų438.3 Ų38.34%0.04121%0.205CC..  trans70.2-173-169.700000113.5I262 R270I262-G265 WeakPolarHBondContact O-CA 3.47Å; I262-G265 PolarHBondContact O-N 2.89Å; G265-R270 WeakPolarHBondContact O-CG 3.29Å; G265-R270 PolarHBondContact O-NE 3.12Å
266A93.3Very high91.1Very high0 Ų034 Ų340%018%0.175CC..  trans-140170.3-177.700000113.9F20 R203 L259 I262F20-A266 HydrophobicContact CD2-CB 4.1Å; R203-A266 PolarHBondContact NH2-O 3.11Å; L259-A266 HydrophobicContact CD2-CB 3.21Å; I262-A266 HydrophobicContact CG2-CB 3.97Å
267G93.4Very high91Very high25 Ų2532.2 Ų32.226%0.25817%0.165SC..G310 helixtrans66.8-161.8-178.700000113.3R269 R270G267-R269 PolarHBondContact O-N 3.39Å; G267-R270 VanDerWaalsContact O-CB 3.26Å; G267-R270 WeakPolarHBondContact O-CB 3.42Å; G267-R270 PolarHBondContact O-N 2.82Å
268P92.2Very high91Very high57 Ų5731.2 Ų31.237%0.3716%0.162SC..G310 helixtrans-59-23.3-175.3-26.936.3000114.3F20 F24 W55F20-P268 WeakPolarHBondContact O-CD 3.4Å; F24-P268 HydrophobicContact CD1-CB 4.32Å; F24-P268 HydrophobicContact CD1-CG 3.87Å; F24-P268 HydrophobicContact CD2-CB 4.15Å; F24-P268 HydrophobicContact CD2-CG 3.84Å; F24-P268 HydrophobicContact CE1-CB 3.95Å; F24-P268 HydrophobicContact CE1-CG 4.01Å; F24-P268 HydrophobicContact CE2-CB 3.79Å; F24-P268 HydrophobicContact CE2-CG 4.02Å; F24-P268 HydrophobicContact CG-CB 4.41Å; F24-P268 HydrophobicContact CG-CG 3.77Å; F24-P268 HydrophobicContact CZ-CB 3.67Å; F24-P268 HydrophobicContact CZ-CG 4.09Å; W55-P268 HydrophobicContact CH2-CB 3.94Å; W55-P268 WeakPolarHBondContact CH2-O 3.32Å; W55-P268 WeakPolarHBondContact CZ2-O 3.31Å
269R91.6Very high90.7Very high4 Ų426.9 Ų26.92%0.01513%0.133CC..G310 helixtrans-98.513.2179.8-64.9-72.2-82.9140.1-6.1113.7F24 H28 R30 F48 S50 W55 G267F24-R269 HydrophobicContact CE2-CG 3.65Å; F24-R269 HydrophobicContact CZ-CG 4.16Å; H28-R269 PolarHBondContact O-NE 3.25Å; R30-R269 PolarHBondContact NH2-O 3.14Å; F48-R269 PolarHBondContact O-NH2 3.05Å; S50-R269 PolarHBondContact O-NH2 2.79Å; W55-R269 HydrophobicContact CH2-CG 4.22Å; W55-R269 HydrophobicContact CZ2-CG 4.16Å; G267-R269 PolarHBondContact O-N 3.39Å
270R92.2Very high90.2Very high93 Ų9326.8 Ų26.835%0.35113%0.132SC..SBendtrans-52.3147.5166.3-177.8174.7-73172.4-0.9110.2R59 F264 G265 G267 I272 E274R59-R270 VanDerWaalsContact CZ-O 3.26Å; R59-R270 PolarHBondContact NH1-O 3.44Å; R59-R270 PolarHBondContact NH2-O 3.33Å; F264-R270 HydrophobicContact CB-CG 4.38Å; G265-R270 WeakPolarHBondContact O-CG 3.29Å; G265-R270 PolarHBondContact O-NE 3.12Å; G267-R270 VanDerWaalsContact O-CB 3.26Å; G267-R270 WeakPolarHBondContact O-CB 3.42Å; G267-R270 PolarHBondContact O-N 2.82Å; R270-I272 PolarHBondContact O-N 3.09Å; R270-E274 VanDerWaalsContact CD-OE2 3.26Å; R270-E274 WeakPolarHBondContact CD-OE2 3.48Å
271C90.8Very high89.9Confident37 Ų3727 Ų2725%0.2513%0.133CC..  trans-48.3134.8-178.9-168.70000111.3F264 G273 E274F264-C271 HydrophobicContact CB-CB 3.79Å; F264-C271 HydrophobicContact CD1-CB 3.93Å; F264-C271 HydrophobicContact CG-CB 4.33Å; F264-C271 WeakPolarHBondContact O-CB 3.35Å; F264-C271 PolarHBondContact O-N 3.02Å; C271-G273 PolarHBondContact SG-N 2.77Å; C271-G273 VanDerWaalsContact SG-N 3.4Å; C271-E274 HydrophobicContact CB-CB 4.41Å
272I87.2Confident89.6Confident18 Ų1825.8 Ų25.89%0.09213%0.129CC..SBendtrans-77.6-28.8174.4-163.9177.4000111.3M47 F48 R59 S62 A63 F66 R270M47-I272 HydrophobicContact CE-CD1 3.79Å; M47-I272 HydrophobicContact CE-CG2 3.91Å; M47-I272 HydrophobicContact SD-CD1 4.1Å; F48-I272 HydrophobicContact CE1-CG2 4.06Å; F48-I272 HydrophobicContact CZ-CG2 4.13Å; R59-I272 HydrophobicContact CG-CD1 4.1Å; S62-I272 VanDerWaalsContact OG-CD1 3.29Å; S62-I272 WeakPolarHBondContact OG-CD1 3.48Å; A63-I272 HydrophobicContact CB-CD1 4.46Å; F66-I272 HydrophobicContact CD2-CD1 3.89Å; F66-I272 HydrophobicContact CD2-CG1 3.88Å; F66-I272 HydrophobicContact CD2-CG2 4.46Å; F66-I272 HydrophobicContact CE2-CD1 4.1Å; F66-I272 HydrophobicContact CE2-CG1 4.34Å; F66-I272 HydrophobicContact CE2-CG2 4.2Å; F66-I272 HydrophobicContact CG-CG1 4.41Å; F66-I272 HydrophobicContact CZ-CG2 4.43Å; R270-I272 PolarHBondContact O-N 3.09Å
273G84.6Confident89.1Confident6 Ų625.8 Ų25.86%0.06213%0.129CC..SBendtrans-90.19.8-177.300000114.7C271 R275 F276 A277C271-G273 PolarHBondContact SG-N 2.77Å; C271-G273 VanDerWaalsContact SG-N 3.4Å; G273-R275 VanDerWaalsContact C-N 3.34Å; G273-R275 PolarHBondContact O-N 2.96Å; G273-F276 WeakPolarHBondContact O-CB 3.46Å; G273-F276 PolarHBondContact O-N 3.49Å; G273-A277 WeakPolarHBondContact O-CB 3.32Å; G273-A277 PolarHBondContact O-N 3.29Å
274E89.6Confident88.7Confident42 Ų4225.7 Ų25.720%0.19613%0.128CC..Hα-helixtrans-54.5-47.7-179.7172.3178.4-163.600112.4F264 R270 C271 F276 A277 L278F264-E274 HydrophobicContact CB-CB 4.22Å; F264-E274 HydrophobicContact CB-CG 4.22Å; F264-E274 HydrophobicContact CD1-CB 3.91Å; F264-E274 HydrophobicContact CD1-CG 4.15Å; F264-E274 HydrophobicContact CD2-CB 4.36Å; F264-E274 HydrophobicContact CD2-CG 3.7Å; F264-E274 HydrophobicContact CE1-CB 4.38Å; F264-E274 HydrophobicContact CE1-CG 4.48Å; F264-E274 HydrophobicContact CE2-CG 4.07Å; F264-E274 HydrophobicContact CG-CB 3.89Å; F264-E274 HydrophobicContact CG-CG 3.74Å; F264-E274 HydrophobicContact CZ-CG 4.44Å; R270-E274 VanDerWaalsContact CD-OE2 3.26Å; R270-E274 WeakPolarHBondContact CD-OE2 3.48Å; C271-E274 HydrophobicContact CB-CB 4.41Å; E274-F276 VanDerWaalsContact C-N 3.3Å; E274-F276 PolarHBondContact O-N 3.44Å; E274-A277 WeakPolarHBondContact O-CB 3.47Å; E274-A277 PolarHBondContact O-N 3.13Å; E274-L278 HydrophobicContact CG-CD1 4.04Å; E274-L278 WeakPolarHBondContact O-CG 3.25Å; E274-L278 PolarHBondContact O-N 3.1Å
275R88Confident88.5Confident158 Ų15824.4 Ų24.460%0.59612%0.123SC*.Hα-helixtrans-64.5-36.7180-67.5179.8179.4168.6-3.2112.7L71 G273 L279L71-R275 HydrophobicContact CD1-CB 4.11Å; G273-R275 VanDerWaalsContact C-N 3.34Å; G273-R275 PolarHBondContact O-N 2.96Å; R275-L279 VanDerWaalsContact O-CB 3.27Å; R275-L279 WeakPolarHBondContact O-CB 3.37Å; R275-L279 PolarHBondContact O-N 3.23Å; R275-L279 VanDerWaalsContact O-N 3.12Å
276F84.1Confident88.3Confident3 Ų324.3 Ų24.31%0.01312%0.121CC..Hα-helixtrans-63.8-52.1175169.9-92.6000110.5F66 L71 I75 T99 I103 F146 G273 E274 L278 L279 E280F66-F276 HydrophobicContact CD1-CB 4.05Å; L71-F276 HydrophobicContact CD1-CB 3.95Å; L71-F276 HydrophobicContact CD2-CB 4.13Å; L71-F276 HydrophobicContact CD2-CD2 3.64Å; L71-F276 HydrophobicContact CD2-CG 4.38Å; I75-F276 HydrophobicContact CD1-CD2 3.9Å; I75-F276 HydrophobicContact CD1-CE2 3.89Å; I75-F276 HydrophobicContact CG1-CE2 4.46Å; T99-F276 HydrophobicContact CG2-CE1 3.93Å; T99-F276 HydrophobicContact CG2-CZ 4.25Å; I103-F276 HydrophobicContact CD1-CE1 4.36Å; I103-F276 HydrophobicContact CG1-CE1 3.82Å; I103-F276 HydrophobicContact CG1-CZ 3.71Å; F146-F276 HydrophobicContact CD2-CE1 4.48Å; F146-F276 HydrophobicContact CE2-CD1 4.21Å; F146-F276 HydrophobicContact CE2-CE1 4.08Å; F146-F276 HydrophobicContact CZ-CD1 4.22Å; G273-F276 WeakPolarHBondContact O-CB 3.46Å; G273-F276 PolarHBondContact O-N 3.49Å; E274-F276 VanDerWaalsContact C-N 3.3Å; E274-F276 PolarHBondContact O-N 3.44Å; F276-L278 PolarHBondContact O-N 2.92Å; F276-L279 PolarHBondContact O-N 3.43Å; F276-E280 WeakPolarHBondContact CE1-OE2 3.21Å; F276-E280 WeakPolarHBondContact CZ-OE2 3.27Å; F276-E280 WeakPolarHBondContact O-CB 3.48Å; F276-E280 PolarHBondContact O-N 3.37Å
277A84.8Confident87.9Confident1 Ų126.6 Ų26.61%0.00813%0.13CC..Hα-helixtrans-52.1-54.5178.400000112.2F146 F264 G273 E274 L279 E280 M281F146-A277 HydrophobicContact CD1-CB 3.76Å; F146-A277 HydrophobicContact CE1-CB 3.09Å; F146-A277 HydrophobicContact CZ-CB 3.84Å; F264-A277 HydrophobicContact CE1-CB 3.7Å; F264-A277 HydrophobicContact CZ-CB 3.92Å; G273-A277 WeakPolarHBondContact O-CB 3.32Å; G273-A277 PolarHBondContact O-N 3.29Å; E274-A277 WeakPolarHBondContact O-CB 3.47Å; E274-A277 PolarHBondContact O-N 3.13Å; A277-L279 PolarHBondContact O-N 3.4Å; A277-E280 PolarHBondContact O-N 2.94Å; A277-M281 WeakPolarHBondContact O-CB 3.36Å; A277-M281 VanDerWaalsContact O-CG 3.26Å; A277-M281 WeakPolarHBondContact O-CG 3.26Å; A277-M281 PolarHBondContact O-N 2.92Å
278L89.8Confident87.5Confident31 Ų3125.9 Ų25.916%0.16212%0.12CC..Hα-helixtrans-64.6-41.9-177-66.3174.8000111.1I189 L193 F264 E274 F276 K282I189-L278 HydrophobicContact CG2-CD2 3.61Å; L193-L278 HydrophobicContact CD1-CD2 4.17Å; F264-L278 HydrophobicContact CE2-CD2 4.03Å; F264-L278 HydrophobicContact CE2-CG 4.26Å; F264-L278 HydrophobicContact CZ-CD2 4.14Å; F264-L278 HydrophobicContact CZ-CG 4.26Å; E274-L278 HydrophobicContact CG-CD1 4.04Å; E274-L278 WeakPolarHBondContact O-CG 3.25Å; E274-L278 PolarHBondContact O-N 3.1Å; F276-L278 PolarHBondContact O-N 2.92Å; L278-K282 WeakPolarHBondContact O-CB 3.28Å; L278-K282 WeakPolarHBondContact O-CG 3.5Å; L278-K282 PolarHBondContact O-N 3.45Å
279L86Confident87.3Confident12 Ų1223.2 Ų23.26%0.06310%0.103CC..Hα-helixtrans-66-43.1178.6-178.162000112.1L71 K72 I75 V179 R275 F276 A277 K282 L283L71-L279 HydrophobicContact CB-CD2 3.64Å; K72-L279 HydrophobicContact CG-CD2 4.43Å; I75-L279 HydrophobicContact CD1-CD2 4.14Å; I75-L279 HydrophobicContact CD1-CG 4.41Å; V179-L279 HydrophobicContact CG2-CD1 3.89Å; R275-L279 VanDerWaalsContact O-CB 3.27Å; R275-L279 WeakPolarHBondContact O-CB 3.37Å; R275-L279 PolarHBondContact O-N 3.23Å; R275-L279 VanDerWaalsContact O-N 3.12Å; F276-L279 PolarHBondContact O-N 3.43Å; A277-L279 PolarHBondContact O-N 3.4Å; L279-K282 PolarHBondContact O-N 2.84Å; L279-L283 HydrophobicContact CD1-CD1 4.01Å; L279-L283 HydrophobicContact CD1-CG 4.17Å; L279-L283 HydrophobicContact CG-CD1 3.9Å; L279-L283 HydrophobicContact CG-CG 4.46Å; L279-L283 WeakPolarHBondContact O-CB 3.49Å; L279-L283 VanDerWaalsContact O-CG 3.3Å; L279-L283 WeakPolarHBondContact O-CG 3.13Å; L279-L283 PolarHBondContact O-N 3.4Å
280E82.9Confident87.1Confident2 Ų225 Ų251%0.00911%0.109CC..Hα-helixtrans-63.9-45.2177.5-173.2177.5179.700111.2T99 F276 A277 K282 L283 T284T99-E280 WeakPolarHBondContact CA-OE1 3.12Å; T99-E280 VanDerWaalsContact CB-OE1 3.27Å; T99-E280 WeakPolarHBondContact CB-OE1 3.48Å; T99-E280 WeakPolarHBondContact CG2-OE2 3.07Å; T99-E280 PolarHBondContact N-OE1 3.42Å; T99-E280 PolarHBondContact OG1-OE1 3.18Å; T99-E280 PolarHBondContact OG1-OE2 2.66Å; F276-E280 WeakPolarHBondContact CE1-OE2 3.21Å; F276-E280 WeakPolarHBondContact CZ-OE2 3.27Å; F276-E280 WeakPolarHBondContact O-CB 3.48Å; F276-E280 PolarHBondContact O-N 3.37Å; A277-E280 PolarHBondContact O-N 2.94Å; E280-K282 VanDerWaalsContact C-N 3.35Å; E280-K282 PolarHBondContact O-N 2.89Å; E280-L283 PolarHBondContact O-N 2.79Å; E280-T284 VanDerWaalsContact O-CB 3.23Å; E280-T284 WeakPolarHBondContact O-CB 3.19Å; E280-T284 PolarHBondContact O-N 3.43Å; E280-T284 PolarHBondContact O-OG1 2.99Å
281M88Confident86.6Confident3 Ų326.5 Ų26.52%0.01512%0.118CC..Hα-helixtrans-58.3-47.7175.4-73.4-178.775.600111.4A149 L150 I189 L193 A277 T284 L285A149-M281 HydrophobicContact CB-CE 3.85Å; A149-M281 HydrophobicContact CB-SD 4.05Å; L150-M281 HydrophobicContact CD2-CB 4.2Å; L150-M281 HydrophobicContact CD2-CG 4.02Å; L150-M281 HydrophobicContact CG-CG 4.06Å; I189-M281 HydrophobicContact CD1-CB 3.89Å; I189-M281 HydrophobicContact CG1-CB 4.36Å; I189-M281 HydrophobicContact CG1-CE 4.33Å; I189-M281 HydrophobicContact CG2-CE 3.86Å; I189-M281 HydrophobicContact CG2-SD 3.98Å; L193-M281 HydrophobicContact CD1-SD 4.45Å; A277-M281 WeakPolarHBondContact O-CB 3.36Å; A277-M281 VanDerWaalsContact O-CG 3.26Å; A277-M281 WeakPolarHBondContact O-CG 3.26Å; A277-M281 PolarHBondContact O-N 2.92Å; M281-T284 PolarHBondContact O-N 3.48Å; M281-L285 WeakPolarHBondContact O-CB 3.44Å; M281-L285 WeakPolarHBondContact O-CG 3.34Å; M281-L285 PolarHBondContact O-N 3.12Å
282K89.6Confident86.3Confident15 Ų1527.5 Ų27.57%0.06512%0.117CC..Hα-helixtrans-57.7-51.7177.1-77.4179.4174.7-151.10112.4V179 L185 D186 I189 L278 L279 E280 T284 A286V179-K282 HydrophobicContact CB-CB 4.08Å; V179-K282 HydrophobicContact CG2-CB 3.98Å; V179-K282 HydrophobicContact CG2-CD 4.42Å; V179-K282 PolarHBondContact O-NZ 2.9Å; L185-K282 HydrophobicContact CD2-CB 3.82Å; L185-K282 HydrophobicContact CD2-CG 3.81Å; L185-K282 HydrophobicContact CG-CB 4.49Å; L185-K282 HydrophobicContact CG-CG 4.03Å; D186-K282 WeakPolarHBondContact OD1-CE 3.26Å; D186-K282 IonicContact OD1-NZ 3.69Å; D186-K282 PolarHBondContact OD1-NZ 2.74Å; D186-K282 IonicContact OD2-NZ 2.65Å; D186-K282 PolarHBondContact OD2-NZ 3.2Å; I189-K282 HydrophobicContact CD1-CB 4.28Å; I189-K282 HydrophobicContact CD1-CG 3.45Å; I189-K282 VanDerWaalsContact CD1-CG 3.45Å; L278-K282 WeakPolarHBondContact O-CB 3.28Å; L278-K282 WeakPolarHBondContact O-CG 3.5Å; L278-K282 PolarHBondContact O-N 3.45Å; L279-K282 PolarHBondContact O-N 2.84Å; E280-K282 VanDerWaalsContact C-N 3.35Å; E280-K282 PolarHBondContact O-N 2.89Å; K282-T284 VanDerWaalsContact C-N 3.3Å; K282-T284 PolarHBondContact O-N 3.37Å; K282-A286 WeakPolarHBondContact O-CB 3.24Å; K282-A286 PolarHBondContact O-N 2.79Å
283L85Confident86.2Confident2 Ų230.8 Ų30.81%0.0113%0.129CC..Hα-helixtrans-64.2-37.9-177.8-75.3172.4000112I75 L79 V179 L279 E280 R287I75-L283 HydrophobicContact CB-CD1 4.01Å; I75-L283 HydrophobicContact CG2-CD1 3.41Å; I75-L283 VanDerWaalsContact CG2-CD1 3.41Å; L79-L283 HydrophobicContact CD2-CB 4.15Å; V179-L283 HydrophobicContact CB-CD2 4.47Å; V179-L283 HydrophobicContact CG1-CD2 3.88Å; V179-L283 HydrophobicContact CG2-CD2 3.72Å; V179-L283 HydrophobicContact CG2-CG 3.98Å; L279-L283 HydrophobicContact CD1-CD1 4.01Å; L279-L283 HydrophobicContact CD1-CG 4.17Å; L279-L283 HydrophobicContact CG-CD1 3.9Å; L279-L283 HydrophobicContact CG-CG 4.46Å; L279-L283 WeakPolarHBondContact O-CB 3.49Å; L279-L283 VanDerWaalsContact O-CG 3.3Å; L279-L283 WeakPolarHBondContact O-CG 3.13Å; L279-L283 PolarHBondContact O-N 3.4Å; E280-L283 PolarHBondContact O-N 2.79Å; L283-R287 VanDerWaalsContact O-CB 3.32Å; L283-R287 WeakPolarHBondContact O-CB 3.44Å; L283-R287 VanDerWaalsContact O-CG 3.22Å; L283-R287 WeakPolarHBondContact O-CG 3.46Å; L283-R287 PolarHBondContact O-N 2.83Å; L283-R287 VanDerWaalsContact O-N 3.16Å
284T83.5Confident86.3Confident0 Ų030.5 Ų30.50%013%0.126CC..Hα-helixtrans-67.4-53.3179.1-60.10000110.9F80 F95 L150 E280 M281 K282 R287 L288F80-T284 HydrophobicContact CZ-CG2 4.29Å; F95-T284 HydrophobicContact CD1-CG2 4Å; F95-T284 HydrophobicContact CE1-CG2 3.2Å; F95-T284 HydrophobicContact CZ-CG2 3.64Å; L150-T284 HydrophobicContact CD1-CG2 4.02Å; L150-T284 HydrophobicContact CD2-CG2 3.89Å; E280-T284 VanDerWaalsContact O-CB 3.23Å; E280-T284 WeakPolarHBondContact O-CB 3.19Å; E280-T284 PolarHBondContact O-N 3.43Å; E280-T284 PolarHBondContact O-OG1 2.99Å; M281-T284 PolarHBondContact O-N 3.48Å; K282-T284 VanDerWaalsContact C-N 3.3Å; K282-T284 PolarHBondContact O-N 3.37Å; T284-R287 PolarHBondContact O-N 2.88Å; T284-L288 VanDerWaalsContact O-CB 3.32Å; T284-L288 WeakPolarHBondContact O-CB 3.31Å; T284-L288 PolarHBondContact O-N 3.24Å
285L89.3Confident85.9Confident0 Ų032.2 Ų32.20%013%0.133CC..Hα-helixtrans-62.9-45.8179.2-68.6173.3000111.6L150 A153 I154 L157 L185 I189 M281 R287 L288 L289L150-L285 HydrophobicContact CD2-CD2 4.32Å; L150-L285 HydrophobicContact CD2-CG 4.08Å; A153-L285 HydrophobicContact CB-CD1 4.04Å; A153-L285 HydrophobicContact CB-CD2 4.2Å; I154-L285 HydrophobicContact CD1-CD2 4.34Å; I154-L285 HydrophobicContact CG1-CD2 3.77Å; L157-L285 HydrophobicContact CD1-CD2 4.17Å; L185-L285 HydrophobicContact CD1-CB 3.96Å; L185-L285 HydrophobicContact CD1-CD1 4Å; I189-L285 HydrophobicContact CD1-CD1 4.3Å; I189-L285 HydrophobicContact CG1-CD1 3.92Å; M281-L285 WeakPolarHBondContact O-CB 3.44Å; M281-L285 WeakPolarHBondContact O-CG 3.34Å; M281-L285 PolarHBondContact O-N 3.12Å; L285-R287 VanDerWaalsContact C-N 3.29Å; L285-R287 PolarHBondContact O-N 2.98Å; L285-L288 PolarHBondContact O-N 3.28Å; L285-L289 WeakPolarHBondContact O-CB 3.49Å; L285-L289 WeakPolarHBondContact O-CG 3.3Å; L285-L289 PolarHBondContact O-N 3.39Å
286A89Confident85.7Confident1 Ų127.5 Ų27.51%0.00812%0.119CC..Hα-helixtrans-61.2-35.9179.600000112.9I171 V179 M182 L185 K282 R290I171-A286 HydrophobicContact CD1-CB 4.49Å; I171-A286 HydrophobicContact CG1-CB 4.32Å; I171-A286 HydrophobicContact CG2-CB 4.42Å; I171-A286 WeakPolarHBondContact CG2-O 3.44Å; V179-A286 HydrophobicContact CG1-CB 3.82Å; M182-A286 HydrophobicContact CE-CB 4.42Å; M182-A286 HydrophobicContact SD-CB 4.21Å; L185-A286 HydrophobicContact CD2-CB 4.3Å; K282-A286 WeakPolarHBondContact O-CB 3.24Å; K282-A286 PolarHBondContact O-N 2.79Å; A286-R290 WeakPolarHBondContact O-CB 3.34Å; A286-R290 PolarHBondContact O-N 3.4Å
287R84.3Confident85.2Confident49 Ų4928.7 Ų28.719%0.18513%0.126CC..Hα-helixtrans-78.7-38.3177.7-74.2180178.7129.8-10.9112.4Q76 L79 F80 L283 T284 L285Q76-R287 PolarHBondContact O-NH2 3.01Å; L79-R287 VanDerWaalsContact CB-NH1 3.32Å; F80-R287 HydrophobicContact CD2-CB 3.94Å; F80-R287 HydrophobicContact CD2-CG 4.41Å; F80-R287 HydrophobicContact CE2-CB 3.38Å; F80-R287 HydrophobicContact CE2-CG 4.11Å; F80-R287 HydrophobicContact CZ-CB 4.22Å; L283-R287 VanDerWaalsContact O-CB 3.32Å; L283-R287 WeakPolarHBondContact O-CB 3.44Å; L283-R287 VanDerWaalsContact O-CG 3.22Å; L283-R287 WeakPolarHBondContact O-CG 3.46Å; L283-R287 PolarHBondContact O-N 2.83Å; L283-R287 VanDerWaalsContact O-N 3.16Å; T284-R287 PolarHBondContact O-N 2.88Å; L285-R287 VanDerWaalsContact C-N 3.29Å; L285-R287 PolarHBondContact O-N 2.98Å
288L84.3Confident84.6Confident10 Ų1037.2 Ų37.25%0.05217%0.171CC..Hα-helixtrans-62.8-57.4176.6-178.165.9000110.5L91 I154 T284 L285 R290 K291 Y292 I294 L341L91-L288 HydrophobicContact CD2-CD2 4.38Å; I154-L288 HydrophobicContact CD1-CD2 3.53Å; I154-L288 HydrophobicContact CG1-CD2 4Å; T284-L288 VanDerWaalsContact O-CB 3.32Å; T284-L288 WeakPolarHBondContact O-CB 3.31Å; T284-L288 PolarHBondContact O-N 3.24Å; L285-L288 PolarHBondContact O-N 3.28Å; L288-R290 PolarHBondContact O-N 3.4Å; L288-K291 PolarHBondContact O-N 2.85Å; L288-K291 VanDerWaalsContact O-N 3.11Å; L288-Y292 HydrophobicContact CD1-CD2 3.99Å; L288-Y292 PolarHBondContact O-N 3.35Å; L288-I294 HydrophobicContact CD2-CD1 3.64Å; L288-I294 HydrophobicContact CG-CD1 4.21Å; L288-L341 HydrophobicContact CD1-CD2 4.45Å
289L89.4Confident83.6Confident1 Ų140.3 Ų40.31%0.00518%0.181CC..Hα-helixtrans-69.7-17.5-176.4-65.1173.7000113.6L157 Q164 L167 R168 I171 L285 K291 Y292 I294L157-L289 HydrophobicContact CD1-CD1 3.92Å; Q164-L289 HydrophobicContact CG-CD2 3.9Å; L167-L289 HydrophobicContact CD2-CD1 3.39Å; L167-L289 HydrophobicContact CG-CD1 3.95Å; R168-L289 PolarHBondContact NH1-O 2.87Å; I171-L289 HydrophobicContact CD1-CB 3.78Å; I171-L289 HydrophobicContact CD1-CD1 3.75Å; I171-L289 HydrophobicContact CD1-CG 4.42Å; L285-L289 WeakPolarHBondContact O-CB 3.49Å; L285-L289 WeakPolarHBondContact O-CG 3.3Å; L285-L289 PolarHBondContact O-N 3.39Å; L289-K291 VanDerWaalsContact C-N 3.3Å; L289-Y292 WeakPolarHBondContact CA-O 3.38Å; L289-I294 HydrophobicContact CD2-CD1 3.93Å; L289-I294 HydrophobicContact CD2-CG1 4.11Å
290R86.9Confident82.8Confident41 Ų4140.5 Ų40.516%0.15518%0.182CC..Hα-helixtrans-68.2-30.9172.6-175.4167.2-80130.5-18.6112.1R168 I171 M172 Y174 A286 L288R168-R290 VanDerWaalsContact NH1-C 3.31Å; R168-R290 VanDerWaalsContact NH1-CA 3.35Å; R168-R290 PolarHBondContact NH1-O 3.41Å; I171-R290 HydrophobicContact CG2-CB 4.01Å; I171-R290 PolarHBondContact O-NH2 2.95Å; M172-R290 HydrophobicContact SD-CG 3.92Å; Y174-R290 PolarHBondContact O-NH2 3.37Å; A286-R290 WeakPolarHBondContact O-CB 3.34Å; A286-R290 PolarHBondContact O-N 3.4Å; L288-R290 PolarHBondContact O-N 3.4Å
291K82.4Confident81.8Confident124 Ų12446.3 Ų46.354%0.53921%0.209SC..Hα-helixtrans-107.7-27.6-176.2-70.1-171.2174.3-169.80114.5L288 L289 I344L288-K291 PolarHBondContact O-N 2.85Å; L288-K291 VanDerWaalsContact O-N 3.11Å; L289-K291 VanDerWaalsContact C-N 3.3Å; K291-I344 PolarHBondContact O-N 3.21Å
292Y83.8Confident80.6Confident58 Ų5849.8 Ų49.823%0.22723%0.231CC..EExtended strand (participates in β ladder)trans-128.6144-171.6-56.8-81.8000110.8L288 L289 L325 L341 K342 L343L288-Y292 HydrophobicContact CD1-CD2 3.99Å; L288-Y292 PolarHBondContact O-N 3.35Å; L289-Y292 WeakPolarHBondContact CA-O 3.38Å; Y292-L325 HydrophobicContact CD1-CD2 4.03Å; Y292-L325 HydrophobicContact CE1-CD2 3.55Å; Y292-L341 HydrophobicContact CD1-CB 4.14Å; Y292-L341 HydrophobicContact CG-CB 4.5Å; Y292-L341 HydrophobicContact CG-CD2 4.47Å; Y292-K342 VanDerWaalsContact CA-O 3.3Å; Y292-K342 WeakPolarHBondContact CA-O 3.47Å; Y292-L343 HydrophobicContact CD1-CB 4.21Å; Y292-L343 HydrophobicContact CD1-CD1 4.01Å; Y292-L343 HydrophobicContact CE1-CB 4.04Å; Y292-L343 HydrophobicContact CE1-CD1 3.45Å; Y292-L343 VanDerWaalsContact CE1-CD1 3.45Å; Y292-L343 HydrophobicContact CE1-CG 4.35Å
293R85.3Confident78.8Confident87 Ų8753.8 Ų53.833%0.32825%0.248SC..EExtended strand (participates in β ladder)trans-95.3143.2156.5-70.4-173.3174.8124.4-3.2109E165 F295 L341 K342 I344E165-R293 VanDerWaalsContact CD-NH2 3.34Å; E165-R293 IonicContact OE1-NH2 3.55Å; E165-R293 PolarHBondContact OE1-NH2 3.29Å; E165-R293 IonicContact OE2-CZ 3.38Å; E165-R293 IonicContact OE2-NE 2.92Å; E165-R293 PolarHBondContact OE2-NE 3.33Å; E165-R293 IonicContact OE2-NH2 3Å; E165-R293 PolarHBondContact OE2-NH2 3.28Å; R293-F295 HydrophobicContact CB-CD2 4.37Å; R293-F295 HydrophobicContact CB-CE1 4.34Å; R293-F295 HydrophobicContact CB-CE2 3.33Å; R293-F295 HydrophobicContact CB-CZ 3.32Å; R293-F295 HydrophobicContact CG-CZ 4.2Å; R293-L341 WeakPolarHBondContact O-CA 3.45Å; R293-K342 PolarHBondContact N-O 3.49Å; R293-K342 PolarHBondContact O-N 3.4Å; R293-I344 HydrophobicContact CB-CD1 4.49Å; R293-I344 HydrophobicContact CG-CD1 3.6Å; R293-I344 HydrophobicContact CG-CG1 4.01Å
294I86Confident76.8Confident0 Ų056.7 Ų56.70%027%0.268CS..EExtended strand (participates in β ladder)trans-111.2132.7-176.7-38.9-177.6000108.7I154 A158 Q164 L288 L289 L323 L339 L341I154-I294 HydrophobicContact CB-CD1 4.39Å; I154-I294 HydrophobicContact CG1-CD1 4.19Å; I154-I294 HydrophobicContact CG2-CD1 3.68Å; I154-I294 HydrophobicContact CG2-CG2 4.07Å; A158-I294 HydrophobicContact CB-CB 4.41Å; A158-I294 HydrophobicContact CB-CG2 3.99Å; Q164-I294 PolarHBondContact NE2-O 3.41Å; L288-I294 HydrophobicContact CD2-CD1 3.64Å; L288-I294 HydrophobicContact CG-CD1 4.21Å; L289-I294 HydrophobicContact CD2-CD1 3.93Å; L289-I294 HydrophobicContact CD2-CG1 4.11Å; I294-L323 HydrophobicContact CG2-CD2 3.93Å; I294-L339 HydrophobicContact CG2-CB 4.16Å; I294-L339 HydrophobicContact CG2-CD1 3.95Å; I294-L341 HydrophobicContact CB-CD2 4.22Å; I294-L341 HydrophobicContact CD1-CD2 4.35Å; I294-L341 HydrophobicContact CG1-CD2 3.7Å; I294-L341 HydrophobicContact CG2-CD2 4.08Å
295F82.8Confident75.2Confident78 Ų7859 Ų5934%0.34228%0.284SS..EExtended strand (participates in β ladder)trans-135.2149.4-178.6-51.6-87.2000111.1R293 S340 K342R293-F295 HydrophobicContact CB-CD2 4.37Å; R293-F295 HydrophobicContact CB-CE1 4.34Å; R293-F295 HydrophobicContact CB-CE2 3.33Å; R293-F295 HydrophobicContact CB-CZ 3.32Å; R293-F295 HydrophobicContact CG-CZ 4.2Å; F295-S340 PolarHBondContact N-O 2.84Å; F295-S340 PolarHBondContact O-N 3.37Å; F295-K342 HydrophobicContact CD2-CB 4.41Å; F295-K342 HydrophobicContact CE2-CB 3.78Å
296L82.4Confident72.7Confident59 Ų5963.2 Ų63.231%0.30931%0.314SS..EExtended strand (participates in β ladder)trans-64.7150.1163.1-53.2175.3000108.9Y155 A158 R159 T300 V302 L339Y155-L296 HydrophobicContact CD2-CD2 4.36Å; Y155-L296 HydrophobicContact CE2-CD2 4.18Å; A158-L296 HydrophobicContact CB-CD2 3.98Å; A158-L296 HydrophobicContact CB-CG 4.35Å; R159-L296 HydrophobicContact CB-CD1 4.43Å; L296-T300 HydrophobicContact CD2-CG2 3.71Å; L296-V302 HydrophobicContact CD1-CG2 4.12Å; L296-L339 HydrophobicContact CD2-CD2 3.56Å
297N73.6Confident70.1Confident29 Ų2969.9 Ų69.916%0.15534%0.34CS..  trans-130.4175.2172.265.738.5000110.3R299 T300 V338 S340N297-R299 PolarHBondContact O-N 2.97Å; N297-R299 WeakPolarHBondContact OD1-CA 3.48Å; N297-R299 WeakPolarHBondContact OD1-CB 3.19Å; N297-R299 PolarHBondContact OD1-N 3.37Å; N297-T300 PolarHBondContact N-OG1 3.44Å; N297-T300 WeakPolarHBondContact O-CB 3.4Å; N297-T300 PolarHBondContact O-N 3.02Å; N297-T300 PolarHBondContact O-OG1 3.46Å; N297-T300 VanDerWaalsContact O-OG1 3.1Å; N297-T300 PolarHBondContact OD1-N 3.05Å; N297-V338 PolarHBondContact ND2-O 2.74Å; N297-V338 PolarHBondContact OD1-O 3.27Å; N297-V338 VanDerWaalsContact OD1-O 3.11Å; N297-S340 PolarHBondContact ND2-OG 2.85Å
298D72.1Confident68.1Low179 Ų17967.9 Ų67.996%0.95733%0.334SS*.THydrogen-bonded Turntrans-62.8-11.2-175.8-53.2-30.1000114
299R68.3Low66.1Low97 Ų9770.2 Ų70.237%0.36635%0.351SS..THydrogen-bonded Turntrans-95.8-3.5174-62.9177.8-70.9179.5-12.4113N297 E301 E324 T332 V338N297-R299 PolarHBondContact O-N 2.97Å; N297-R299 WeakPolarHBondContact OD1-CA 3.48Å; N297-R299 WeakPolarHBondContact OD1-CB 3.19Å; N297-R299 PolarHBondContact OD1-N 3.37Å; R299-E301 PolarHBondContact O-N 2.93Å; R299-E324 IonicContact CZ-OE1 3.47Å; R299-E324 IonicContact CZ-OE2 3.37Å; R299-E324 VanDerWaalsContact NH1-CD 3.27Å; R299-E324 IonicContact NH1-OE1 2.69Å; R299-E324 PolarHBondContact NH1-OE1 3.39Å; R299-E324 IonicContact NH1-OE2 3.25Å; R299-E324 PolarHBondContact NH1-OE2 2.9Å; R299-E324 IonicContact NH2-OE1 3.47Å; R299-E324 PolarHBondContact NH2-OE1 2.95Å; R299-E324 IonicContact NH2-OE2 2.63Å; R299-E324 PolarHBondContact NH2-OE2 3.32Å; R299-T332 WeakPolarHBondContact CD-OG1 3.33Å; R299-T332 PolarHBondContact NH1-OG1 3.09Å; R299-V338 HydrophobicContact CB-CB 3.93Å; R299-V338 HydrophobicContact CB-CG2 3.94Å
300T69Low63.5Low15 Ų1575.8 Ų75.89%0.09238%0.375CS..  trans-75.8106.4173.2-45.70000109.4Y155 L296 N297 V302 V337 V338 L339Y155-T300 HydrophobicContact CE2-CG2 4.31Å; L296-T300 HydrophobicContact CD2-CG2 3.71Å; N297-T300 PolarHBondContact N-OG1 3.44Å; N297-T300 WeakPolarHBondContact O-CB 3.4Å; N297-T300 PolarHBondContact O-N 3.02Å; N297-T300 PolarHBondContact O-OG1 3.46Å; N297-T300 VanDerWaalsContact O-OG1 3.1Å; N297-T300 PolarHBondContact OD1-N 3.05Å; T300-V302 HydrophobicContact CG2-CG2 4.17Å; T300-V302 PolarHBondContact O-N 3.27Å; T300-V337 HydrophobicContact CG2-CB 4.29Å; T300-V337 HydrophobicContact CG2-CG1 3.41Å; T300-V337 VanDerWaalsContact CG2-CG1 3.41Å; T300-V337 HydrophobicContact CG2-CG2 4.49Å; T300-V338 PolarHBondContact OG1-O 2.78Å; T300-L339 HydrophobicContact CG2-CD2 4.36Å
301E63.7Low61.2Low125 Ų12576.9 Ų76.958%0.58438%0.382SS*.  trans-69.794.7166.8-71.2-174.4178.100109.7R299 K303R299-E301 PolarHBondContact O-N 2.93Å; E301-K303 PolarHBondContact O-N 3.23Å; E301-K303 VanDerWaalsContact O-N 3.13Å
302V61.6Low59.5Low76 Ų7673.2 Ų73.246%0.46137%0.365SS..  trans-75.399.9173.1-175.90000108.2L296 T300 S304L296-V302 HydrophobicContact CD1-CG2 4.12Å; T300-V302 HydrophobicContact CG2-CG2 4.17Å; T300-V302 PolarHBondContact O-N 3.27Å; V302-S304 PolarHBondContact O-N 3.16Å
303K52.3Low57.4Low98 Ų9874.4 Ų74.443%0.42638%0.382SS..  trans-73.6123169.9-66.6-173.3176.6-174.10108.8E301 E311E301-K303 PolarHBondContact O-N 3.23Å; E301-K303 VanDerWaalsContact O-N 3.13Å; K303-E311 IonicContact NZ-OE2 2.67Å; K303-E311 PolarHBondContact NZ-OE2 2.91Å
304S43.5Very low55Low63 Ų6377.3 Ų77.344%0.44140%0.397SS..  trans-58149.2-178.971.60000111.8V302 S306 Y307 A308V302-S304 PolarHBondContact O-N 3.16Å; S304-S306 VanDerWaalsContact C-N 3.25Å; S304-S306 PolarHBondContact O-N 2.93Å; S304-Y307 PolarHBondContact O-N 3.11Å; S304-Y307 VanDerWaalsContact O-N 3.09Å; S304-Y307 WeakPolarHBondContact OG-CB 3.28Å; S304-Y307 PolarHBondContact OG-N 2.99Å; S304-A308 VanDerWaalsContact O-CB 3.24Å; S304-A308 WeakPolarHBondContact O-CB 3.45Å; S304-A308 PolarHBondContact O-N 3.37Å
305S48.8Very low52.5Low48 Ų4879.6 Ų79.634%0.33641%0.413SS..Hα-helixtrans-53.9-38.3-177.243.80000113.3S309S305-S309 PolarHBondContact O-N 3.34Å
306S38.1Very low50.5Low89 Ų8984.6 Ų84.662%0.62244%0.435SS*.Hα-helixtrans-73.4-32.4178.5620000114.2S304 S309S304-S306 VanDerWaalsContact C-N 3.25Å; S304-S306 PolarHBondContact O-N 2.93Å; S306-S309 PolarHBondContact O-OG 2.81Å; S306-S309 VanDerWaalsContact O-OG 3.06Å
307Y33.9Very low48.5Very low141 Ų14189.1 Ų89.155%0.55345%0.454SS*.Hα-helixtrans-82-28.9175.6-146-95.3000111.2S304 F310 E311S304-Y307 PolarHBondContact O-N 3.11Å; S304-Y307 VanDerWaalsContact O-N 3.09Å; S304-Y307 WeakPolarHBondContact OG-CB 3.28Å; S304-Y307 PolarHBondContact OG-N 2.99Å; Y307-F310 PolarHBondContact O-N 2.83Å; Y307-E311 HydrophobicContact CD1-CG 4.43Å; Y307-E311 HydrophobicContact CE1-CG 4.35Å; Y307-E311 PolarHBondContact O-N 3.15Å
308A41.1Very low47.2Very low7 Ų789.6 Ų89.66%0.05846%0.459CS..Hα-helixtrans-69.7-35.6179.100000112.6S304 F310 R312S304-A308 VanDerWaalsContact O-CB 3.24Å; S304-A308 WeakPolarHBondContact O-CB 3.45Å; S304-A308 PolarHBondContact O-N 3.37Å; A308-F310 VanDerWaalsContact C-N 3.35Å; A308-R312 WeakPolarHBondContact O-CB 3.33Å; A308-R312 WeakPolarHBondContact O-CD 3.49Å; A308-R312 WeakPolarHBondContact O-CG 3.41Å; A308-R312 PolarHBondContact O-N 3.42Å
309S42.8Very low46.2Very low59 Ų5983.5 Ų83.541%0.41343%0.426SS..Hα-helixtrans-63.9-40.5172.751.70000111.7S305 S306S305-S309 PolarHBondContact O-N 3.34Å; S306-S309 PolarHBondContact O-OG 2.81Å; S306-S309 VanDerWaalsContact O-OG 3.06Å
310F35.8Very low45.5Very low118 Ų11883.1 Ų83.152%0.51843%0.428SS..Hα-helixtrans-67.9-45.5178-170-107.7000113Y307 A308 S313 K314Y307-F310 PolarHBondContact O-N 2.83Å; A308-F310 VanDerWaalsContact C-N 3.35Å; F310-S313 PolarHBondContact O-OG 3.35Å; F310-K314 HydrophobicContact CE1-CD 4.47Å; F310-K314 VanDerWaalsContact CZ-NZ 3.32Å
311E37.9Very low44.8Very low65 Ų6582.5 Ų82.530%0.30442%0.424SS..Hα-helixtrans-77.9-28.5176.6-83.9-157.4165.400114.7K303 Y307 S313 K314 S315K303-E311 IonicContact NZ-OE2 2.67Å; K303-E311 PolarHBondContact NZ-OE2 2.91Å; Y307-E311 HydrophobicContact CD1-CG 4.43Å; Y307-E311 HydrophobicContact CE1-CG 4.35Å; Y307-E311 PolarHBondContact O-N 3.15Å; E311-S313 PolarHBondContact O-N 2.79Å; E311-K314 PolarHBondContact O-N 3.08Å; E311-S315 PolarHBondContact O-N 3.1Å; E311-S315 PolarHBondContact O-OG 2.91Å
312R46.3Very low44.4Very low46 Ų4676.8 Ų76.817%0.17440%0.398CS..Hα-helixtrans-60.2-31.4175.7-82.5170.9-145.4-168.6-0.5111.8Y196 W227 Y231 A308Y196-R312 VanDerWaalsContact CE1-NH1 3.26Å; Y196-R312 PolarHBondContact OH-NH1 3.05Å; Y196-R312 PolarHBondContact OH-NH2 2.72Å; W227-R312 HydrophobicContact CH2-CB 4.07Å; W227-R312 HydrophobicContact CH2-CG 4.2Å; W227-R312 HydrophobicContact CZ3-CB 4.05Å; W227-R312 HydrophobicContact CZ3-CG 4.31Å; Y231-R312 PolarHBondContact OH-NH1 3.48Å; A308-R312 WeakPolarHBondContact O-CB 3.33Å; A308-R312 WeakPolarHBondContact O-CD 3.49Å; A308-R312 WeakPolarHBondContact O-CG 3.41Å; A308-R312 PolarHBondContact O-N 3.42Å
313S39.9Very low44.2Very low84 Ų8473.6 Ų73.659%0.58738%0.378SS*.Hα-helixtrans-74.3-29.7174.575.40000113.8F310 E311F310-S313 PolarHBondContact O-OG 3.35Å; E311-S313 PolarHBondContact O-N 2.79Å
314K35.1Very low44.3Very low148 Ų14870.1 Ų70.164%0.64336%0.363SS*.Hα-helixtrans-94.4-33.5-174.7-73.4-173.9176.31780113.5F310 E311F310-K314 HydrophobicContact CE1-CD 4.47Å; F310-K314 VanDerWaalsContact CZ-NZ 3.32Å; E311-K314 PolarHBondContact O-N 3.08Å
315S33.9Very low44.6Very low48 Ų4870.3 Ų70.334%0.33636%0.359SS..  trans-105.599.6-177.168.40000109.8E311 H317E311-S315 PolarHBondContact O-N 3.1Å; E311-S315 PolarHBondContact O-OG 2.91Å; S315-H317 PolarHBondContact O-N 3.2Å
316F40.9Very low44.4Very low182 Ų18274.7 Ų74.780%0.79838%0.375SS*.  trans-64.410.4158.7-77.5-86.1000112.1P318F316-P318 VanDerWaalsContact O-CD 3.23Å; F316-P318 WeakPolarHBondContact O-CD 3.35Å
317H39.9Very low44.2Very low155 Ų15579 Ų7972%0.71839%0.385SS*.  trans-82.8110.4-178.6-71.614.1000108.3S315 I319S315-H317 PolarHBondContact O-N 3.2Å; H317-I319 PolarHBondContact O-N 3.37Å
318P46.4Very low44.1Very low38 Ų3876 Ų7625%0.24740%0.397CS..  trans-61.2139.1-178.623.5-31.4000110.7N148 F316 Q320N148-P318 HydrophobicContact CB-CB 4.46Å; N148-P318 WeakPolarHBondContact ND2-CB 3.45Å; N148-P318 WeakPolarHBondContact OD1-CB 3.43Å; F316-P318 VanDerWaalsContact O-CD 3.23Å; F316-P318 WeakPolarHBondContact O-CD 3.35Å; P318-Q320 PolarHBondContact O-N 3.37Å
319I51.9Low43.8Very low51 Ų5182 Ų8226%0.26243%0.433SS..  trans-58.1113.7170.8-60.6-171.6000107.6Y152 H317 V321 V337Y152-I319 HydrophobicContact CD1-CD1 4.24Å; Y152-I319 HydrophobicContact CE1-CB 3.85Å; Y152-I319 HydrophobicContact CE1-CD1 3.57Å; Y152-I319 HydrophobicContact CE1-CG1 3.63Å; H317-I319 PolarHBondContact O-N 3.37Å; I319-V321 HydrophobicContact CG2-CG2 3.9Å; I319-V321 PolarHBondContact O-N 2.89Å; I319-V337 HydrophobicContact CG2-CB 4.05Å; I319-V337 HydrophobicContact CG2-CG2 3.44Å; I319-V337 VanDerWaalsContact CG2-CG2 3.44Å
320Q52.3Low43.6Very low89 Ų8984.6 Ų84.642%0.41645%0.446SS..  trans-80.8118.3171.8-64.2-170.2-7.700107.5P318 P322 G336 V337P318-Q320 PolarHBondContact O-N 3.37Å; Q320-P322 VanDerWaalsContact C-CD 3.4Å; Q320-P322 WeakPolarHBondContact O-CD 3.48Å; Q320-G336 CarbonylContact O-C 3.49Å; Q320-G336 WeakPolarHBondContact O-CA 3.33Å; Q320-V337 PolarHBondContact O-N 2.65Å
321V55.1Low43.8Very low3 Ų386.6 Ų86.62%0.01846%0.462CS..  trans-104.787.7178.7-176.20000110.3I319 V337 L339I319-V321 HydrophobicContact CG2-CG2 3.9Å; I319-V321 PolarHBondContact O-N 2.89Å; V321-V337 CarbonylContact C-O 3.58Å; V321-V337 WeakPolarHBondContact CA-O 3.42Å; V321-V337 HydrophobicContact CG1-CG1 4.29Å; V321-V337 WeakPolarHBondContact CG1-O 3.32Å; V321-V337 HydrophobicContact CG2-CB 4.15Å; V321-V337 HydrophobicContact CG2-CG1 4.4Å; V321-L339 HydrophobicContact CG1-CB 4.48Å; V321-L339 HydrophobicContact CG1-CD1 3.34Å; V321-L339 HydrophobicContact CG1-CG 3.69Å
322P55.1Low44.1Very low4 Ų485.5 Ų85.53%0.02646%0.46CS..  trans-60.6140.9164.413.3-22.8000111.9F90 Q320 T332 V337 V338 L339F90-P322 HydrophobicContact CD1-CB 3.87Å; F90-P322 HydrophobicContact CE1-CB 3.67Å; F90-P322 HydrophobicContact CE1-CG 4.21Å; Q320-P322 VanDerWaalsContact C-CD 3.4Å; Q320-P322 WeakPolarHBondContact O-CD 3.48Å; P322-T332 HydrophobicContact CB-CG2 4.32Å; P322-V337 WeakPolarHBondContact CD-O 3.29Å; P322-V338 HydrophobicContact CB-CG1 4.5Å; P322-V338 HydrophobicContact CB-CG2 4.32Å; P322-V338 HydrophobicContact CG-CB 4.17Å; P322-V338 HydrophobicContact CG-CG2 3.64Å; P322-V338 CarbonylContact O-C 3.45Å; P322-V338 VanDerWaalsContact O-CA 3.3Å; P322-V338 WeakPolarHBondContact O-CA 3.25Å; P322-L339 PolarHBondContact O-N 3.42Å
323L56.5Low44Very low10 Ų1086.8 Ų86.85%0.05247%0.474CS..EExtended strand (participates in β ladder)trans-124.3131.2173.7-85.5146.5000109.9L91 I154 I294 L339 L341L91-L323 HydrophobicContact CB-CB 4.48Å; L91-L323 HydrophobicContact CB-CD1 3.43Å; L91-L323 VanDerWaalsContact CB-CD1 3.43Å; L91-L323 HydrophobicContact CD1-CD1 3.97Å; L91-L323 HydrophobicContact CD2-CD1 3.28Å; L91-L323 HydrophobicContact CG-CD1 3.73Å; I154-L323 HydrophobicContact CG2-CD1 4.27Å; I294-L323 HydrophobicContact CG2-CD2 3.93Å; L323-L339 WeakPolarHBondContact CA-O 3.12Å; L323-L339 HydrophobicContact CD2-CB 3.35Å; L323-L339 HydrophobicContact CD2-CD1 4.23Å; L323-L339 HydrophobicContact CD2-CG 4.4Å; L323-L339 HydrophobicContact CG-CB 3.89Å; L323-L341 HydrophobicContact CB-CD1 4.34Å; L323-L341 HydrophobicContact CD2-CD1 4.09Å; L323-L341 HydrophobicContact CD2-CD2 3.72Å; L323-L341 HydrophobicContact CD2-CG 3.6Å
324E56.1Low44.2Very low24 Ų2492 Ų9211%0.11249%0.486CS..EExtended strand (participates in β ladder)trans-116.7132.4174.5-72-170.1-167.800110.8R299 T332 V338 L339 S340 L341R299-E324 IonicContact CZ-OE1 3.47Å; R299-E324 IonicContact CZ-OE2 3.37Å; R299-E324 VanDerWaalsContact NH1-CD 3.27Å; R299-E324 IonicContact NH1-OE1 2.69Å; R299-E324 PolarHBondContact NH1-OE1 3.39Å; R299-E324 IonicContact NH1-OE2 3.25Å; R299-E324 PolarHBondContact NH1-OE2 2.9Å; R299-E324 IonicContact NH2-OE1 3.47Å; R299-E324 PolarHBondContact NH2-OE1 2.95Å; R299-E324 IonicContact NH2-OE2 2.63Å; R299-E324 PolarHBondContact NH2-OE2 3.32Å; E324-T332 HydrophobicContact CG-CG2 4.35Å; E324-T332 WeakPolarHBondContact OE1-CG2 3.36Å; E324-V338 HydrophobicContact CG-CG1 4.44Å; E324-L339 PolarHBondContact N-O 3.31Å; E324-S340 WeakPolarHBondContact O-CA 3.38Å; E324-L341 PolarHBondContact O-N 3.01Å
325L49.5Very low44.8Very low67 Ų6791.8 Ų91.835%0.35149%0.492SS..EExtended strand (participates in β ladder)trans-75.4135.4166.5-73.8159.5000108.4Y292 E327 L341Y292-L325 HydrophobicContact CD1-CD2 4.03Å; Y292-L325 HydrophobicContact CE1-CD2 3.55Å; L325-E327 PolarHBondContact O-N 2.72Å; L325-L341 HydrophobicContact CD2-CB 3.71Å; L325-L341 HydrophobicContact CD2-CD1 4.2Å; L325-L341 HydrophobicContact CG-CB 4.43Å; L325-L341 HydrophobicContact CG-CD1 4.49Å
326Q43.8Very low45.9Very low141 Ų14190.4 Ų90.466%0.65949%0.486SS*.SBendtrans-72.975.6175.9-76.6-170.1-18.100111.7L341Q326-L341 PolarHBondContact N-O 3.15Å
327E34.1Very low46.7Very low179 Ų17982.2 Ų82.284%0.83645%0.451SS*.SBendtrans-143.7111.1156.3-74.7-171168.700108.5L325L325-E327 PolarHBondContact O-N 2.72Å
328G31.9Very low47.9Very low79 Ų7975 Ų7581%0.81442%0.417SS*.SBendtrans62.384.9166.900000116.1
329V35.5Very low48.8Very low132 Ų13273.2 Ų73.280%0.841%0.406SS*.  trans-15.5130.6162.6-174.30000115.6
330T38.3Very low49.6Very low114 Ų11471.2 Ų71.270%0.69940%0.396SS*.  trans-170.5113.5134.246.20000113.2
331N39.1Very low50.4Low159 Ų15967.7 Ų67.785%0.8538%0.38SS*.  trans57.1116.2156.9-71.3-16.6000121.8
332T45.4Very low51.1Low43 Ų4373.6 Ų73.626%0.26441%0.406SS..  trans-118.5151.7166.839.30000113.9R299 P322 E324 V338R299-T332 WeakPolarHBondContact CD-OG1 3.33Å; R299-T332 PolarHBondContact NH1-OG1 3.09Å; P322-T332 HydrophobicContact CB-CG2 4.32Å; E324-T332 HydrophobicContact CG-CG2 4.35Å; E324-T332 WeakPolarHBondContact OE1-CG2 3.36Å; T332-V338 HydrophobicContact CG2-CG1 3.98Å; T332-V338 HydrophobicContact CG2-CG2 3.89Å
333P43.7Very low51.8Low72 Ų7278.9 Ų78.947%0.46843%0.433SS..  trans-87.3158.6-174.235.5-33.6000114.2F90 N335F90-P333 HydrophobicContact CE1-CG 4.14Å; F90-P333 HydrophobicContact CZ-CG 3.8Å; P333-N335 PolarHBondContact O-N 3.14Å
334K44.1Very low52.4Low194 Ų19483.8 Ų83.884%0.84346%0.458SS*.SBendtrans-70.6-3.2-158.4-73.6-176.5173.2-177.60119.6
335N46.2Very low52.2Low144 Ų14486.8 Ų86.877%0.7748%0.476SS*.SBendtrans-136.748.9-172.5-71.7-12.8000114.3P333P333-N335 PolarHBondContact O-N 3.14Å
336G57.1Low52.4Low19 Ų1987.8 Ų87.820%0.19648%0.482CS..SBendtrans-156.7160.7177.800000114.6Q320 V338Q320-G336 CarbonylContact O-C 3.49Å; Q320-G336 WeakPolarHBondContact O-CA 3.33Å; G336-V338 PolarHBondContact O-N 2.9Å
337V58.2Low52.8Low10 Ų1084.9 Ų84.96%0.06147%0.472CS..  trans-77.9102.2177.3169.50000109.7Y155 T300 I319 Q320 V321 P322 L339Y155-V337 HydrophobicContact CD2-CB 4.49Å; Y155-V337 HydrophobicContact CD2-CG1 3.49Å; Y155-V337 VanDerWaalsContact CD2-CG1 3.49Å; Y155-V337 HydrophobicContact CD2-CG2 4.34Å; Y155-V337 HydrophobicContact CE2-CG1 3.88Å; Y155-V337 HydrophobicContact CE2-CG2 4.27Å; T300-V337 HydrophobicContact CG2-CB 4.29Å; T300-V337 HydrophobicContact CG2-CG1 3.41Å; T300-V337 VanDerWaalsContact CG2-CG1 3.41Å; T300-V337 HydrophobicContact CG2-CG2 4.49Å; I319-V337 HydrophobicContact CG2-CB 4.05Å; I319-V337 HydrophobicContact CG2-CG2 3.44Å; I319-V337 VanDerWaalsContact CG2-CG2 3.44Å; Q320-V337 PolarHBondContact O-N 2.65Å; V321-V337 CarbonylContact C-O 3.58Å; V321-V337 WeakPolarHBondContact CA-O 3.42Å; V321-V337 HydrophobicContact CG1-CG1 4.29Å; V321-V337 WeakPolarHBondContact CG1-O 3.32Å; V321-V337 HydrophobicContact CG2-CB 4.15Å; V321-V337 HydrophobicContact CG2-CG1 4.4Å; P322-V337 WeakPolarHBondContact CD-O 3.29Å; V337-L339 HydrophobicContact CG1-CD2 3.79Å; V337-L339 HydrophobicContact CG1-CG 3.96Å
338V65Low53.9Low3 Ų379.4 Ų79.42%0.01845%0.451CS..  trans-81121.8174.9-169.40000109.9N297 R299 T300 P322 E324 T332 G336N297-V338 PolarHBondContact ND2-O 2.74Å; N297-V338 PolarHBondContact OD1-O 3.27Å; N297-V338 VanDerWaalsContact OD1-O 3.11Å; R299-V338 HydrophobicContact CB-CB 3.93Å; R299-V338 HydrophobicContact CB-CG2 3.94Å; T300-V338 PolarHBondContact OG1-O 2.78Å; P322-V338 HydrophobicContact CB-CG1 4.5Å; P322-V338 HydrophobicContact CB-CG2 4.32Å; P322-V338 HydrophobicContact CG-CB 4.17Å; P322-V338 HydrophobicContact CG-CG2 3.64Å; P322-V338 CarbonylContact O-C 3.45Å; P322-V338 VanDerWaalsContact O-CA 3.3Å; P322-V338 WeakPolarHBondContact O-CA 3.25Å; E324-V338 HydrophobicContact CG-CG1 4.44Å; T332-V338 HydrophobicContact CG2-CG1 3.98Å; T332-V338 HydrophobicContact CG2-CG2 3.89Å; G336-V338 PolarHBondContact O-N 2.9Å
339L66.7Low55.3Low0 Ų079.4 Ų79.40%043%0.428CS..EExtended strand (participates in β ladder)trans-111.7154.5175.4-62179.9000111I154 A158 I294 L296 T300 V321 P322 L323 E324 V337I154-L339 HydrophobicContact CG2-CD1 3.57Å; A158-L339 HydrophobicContact CB-CD1 4.12Å; A158-L339 HydrophobicContact CB-CD2 3.84Å; I294-L339 HydrophobicContact CG2-CB 4.16Å; I294-L339 HydrophobicContact CG2-CD1 3.95Å; L296-L339 HydrophobicContact CD2-CD2 3.56Å; T300-L339 HydrophobicContact CG2-CD2 4.36Å; V321-L339 HydrophobicContact CG1-CB 4.48Å; V321-L339 HydrophobicContact CG1-CD1 3.34Å; V321-L339 HydrophobicContact CG1-CG 3.69Å; P322-L339 PolarHBondContact O-N 3.42Å; L323-L339 WeakPolarHBondContact CA-O 3.12Å; L323-L339 HydrophobicContact CD2-CB 3.35Å; L323-L339 HydrophobicContact CD2-CD1 4.23Å; L323-L339 HydrophobicContact CD2-CG 4.4Å; L323-L339 HydrophobicContact CG-CB 3.89Å; E324-L339 PolarHBondContact N-O 3.31Å; V337-L339 HydrophobicContact CG1-CD2 3.79Å; V337-L339 HydrophobicContact CG1-CG 3.96Å
340S68.1Low56.6Low10 Ų1075.9 Ų75.97%0.0740%0.403CS..EExtended strand (participates in β ladder)trans-108137.6175.7-730000111.8F295 N297 E324F295-S340 PolarHBondContact N-O 2.84Å; F295-S340 PolarHBondContact O-N 3.37Å; N297-S340 PolarHBondContact ND2-OG 2.85Å; E324-S340 WeakPolarHBondContact O-CA 3.38Å
341L69Low58Low14 Ų1473.1 Ų73.17%0.07338%0.382CS..EExtended strand (participates in β ladder)trans-104.8129.8173.2-66.3172.5000110L288 Y292 R293 I294 L323 E324 L325 Q326L288-L341 HydrophobicContact CD1-CD2 4.45Å; Y292-L341 HydrophobicContact CD1-CB 4.14Å; Y292-L341 HydrophobicContact CG-CB 4.5Å; Y292-L341 HydrophobicContact CG-CD2 4.47Å; R293-L341 WeakPolarHBondContact O-CA 3.45Å; I294-L341 HydrophobicContact CB-CD2 4.22Å; I294-L341 HydrophobicContact CD1-CD2 4.35Å; I294-L341 HydrophobicContact CG1-CD2 3.7Å; I294-L341 HydrophobicContact CG2-CD2 4.08Å; L323-L341 HydrophobicContact CB-CD1 4.34Å; L323-L341 HydrophobicContact CD2-CD1 4.09Å; L323-L341 HydrophobicContact CD2-CD2 3.72Å; L323-L341 HydrophobicContact CD2-CG 3.6Å; E324-L341 PolarHBondContact O-N 3.01Å; L325-L341 HydrophobicContact CD2-CB 3.71Å; L325-L341 HydrophobicContact CD2-CD1 4.2Å; L325-L341 HydrophobicContact CG-CB 4.43Å; L325-L341 HydrophobicContact CG-CD1 4.49Å; Q326-L341 PolarHBondContact N-O 3.15Å
342K68.7Low59.4Low128 Ų12866.5 Ų66.556%0.55735%0.346SS*.EExtended strand (participates in β ladder)trans-107.7119.5167.7-169.9174.7177.9173.90109Y292 R293 F295Y292-K342 VanDerWaalsContact CA-O 3.3Å; Y292-K342 WeakPolarHBondContact CA-O 3.47Å; R293-K342 PolarHBondContact N-O 3.49Å; R293-K342 PolarHBondContact O-N 3.4Å; F295-K342 HydrophobicContact CD2-CB 4.41Å; F295-K342 HydrophobicContact CE2-CB 3.78Å
343L71.5Confident60.6Low115 Ų11568.5 Ų68.560%0.60235%0.353SS*.EExtended strand (participates in β ladder)trans-63.7133.8170.4-173.670.7000108.6Y292Y292-L343 HydrophobicContact CD1-CB 4.21Å; Y292-L343 HydrophobicContact CD1-CD1 4.01Å; Y292-L343 HydrophobicContact CE1-CB 4.04Å; Y292-L343 HydrophobicContact CE1-CD1 3.45Å; Y292-L343 VanDerWaalsContact CE1-CD1 3.45Å; Y292-L343 HydrophobicContact CE1-CG 4.35Å
344I68.5Low62.1Low113 Ų11368.2 Ų68.258%0.57934%0.343SS*.  trans-96.90-180-50.4169.8000110K291 R293K291-I344 PolarHBondContact O-N 3.21Å; R293-I344 HydrophobicContact CB-CD1 4.49Å; R293-I344 HydrophobicContact CG-CD1 3.6Å; R293-I344 HydrophobicContact CG-CG1 4.01Å

Retrieved 344 of 344 residues in 138.3 ms (Link to these results)

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