A0A087YAN9_POEFO Loading...

Regulator of G protein signaling 9a

AlphaFold DB , UniProt , Accession A0A087YAN9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 481 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
1M27Very low44.1Very low241 Ų241142.3 Ų142.3100%1.18775%0.749SS**  089.40-154.4-173.5-81.600106.9
2T27.7Very low47.2Very low119 Ų119138.4 Ų138.473%0.7372%0.724SS**  trans-103.1109.2-169.618.20000109.9R4T2-R4 PolarHBondContact O-N 3.49Å
3I29.8Very low49.9Very low150 Ų150139.4 Ų139.477%0.76971%0.712SS**  trans-67.5103.6169.5-62.2171.4000106.4T5I3-T5 PolarHBondContact O-N 2.86Å; I3-T5 VanDerWaalsContact O-N 3.12Å
4R37.6Very low52.5Low227 Ų227134.5 Ų134.586%0.85768%0.684SS**  trans-56116.5164.4-73.9-178.4175.7176.4-0.5106.7T2 A6T2-R4 PolarHBondContact O-N 3.49Å; R4-A6 PolarHBondContact O-N 3.26Å
5T42.8Very low54.8Low130 Ų130129.7 Ų129.780%0.79865%0.654SS**  trans-7168.8164.5390000108.2I3 R7I3-T5 PolarHBondContact O-N 2.86Å; I3-T5 VanDerWaalsContact O-N 3.12Å; T5-R7 PolarHBondContact O-N 2.97Å
6A42.6Very low57.1Low77 Ų77122.4 Ų122.464%0.63662%0.618SS**  trans-62104.5170.400000107R4 P8R4-A6 PolarHBondContact O-N 3.26Å; A6-P8 WeakPolarHBondContact O-CD 3.41Å; A6-P8 VanDerWaalsContact O-N 3.08Å
7R49.7Very low59.1Low173 Ų173125.7 Ų125.765%0.65362%0.621SS**  trans-59.3111.5170.1-66.8-173-176.8-166.32.6106.9T5 N9T5-R7 PolarHBondContact O-N 2.97Å; R7-N9 PolarHBondContact O-N 3.3Å
8P47.1Very low60.7Low101 Ų101119.9 Ų119.966%0.65659%0.594SS**THydrogen-bonded Turntrans-64.2-17.3-161.5-24.533.8000115.5A6 R13A6-P8 WeakPolarHBondContact O-CD 3.41Å; A6-P8 VanDerWaalsContact O-N 3.08Å; P8-R13 PolarHBondContact O-NH2 3.32Å
9N50.8Low62.2Low157 Ų157120.1 Ų120.184%0.8459%0.593SS**THydrogen-bonded Turntrans-117.819.8-164.1-72-9.6000116.2R7R7-N9 PolarHBondContact O-N 3.3Å
10R58.5Low63.6Low129 Ų129116.8 Ų116.849%0.48758%0.581SS.*  trans-87.6124.3167.3-70.4-167.7173.5-169.8-2.9110.4Q12 R13 E210R10-Q12 VanDerWaalsContact C-N 3.29Å; R10-Q12 VanDerWaalsContact CB-O 3.27Å; R10-Q12 WeakPolarHBondContact CB-O 3.47Å; R10-R13 WeakPolarHBondContact O-CG 3.41Å; R10-R13 PolarHBondContact O-NE 3.39Å; R10-E210 IonicContact NH1-OE1 2.89Å; R10-E210 PolarHBondContact NH1-OE1 2.71Å
11G71.5Confident65Low61 Ų61111.8 Ų111.863%0.62956%0.557SS**SBendtrans-66.5-30.5173.700000112.8L212G11-L212 WeakPolarHBondContact O-CD1 3.35Å
12Q81.8Confident68.1Low96 Ų96107.5 Ų107.545%0.44953%0.532SS..  trans-104.7135.7172.9-64.3155.616.100108.9R10 E210R10-Q12 VanDerWaalsContact C-N 3.29Å; R10-Q12 VanDerWaalsContact CB-O 3.27Å; R10-Q12 WeakPolarHBondContact CB-O 3.47Å; Q12-E210 HydrophobicContact CB-CB 3.71Å; Q12-E210 WeakPolarHBondContact CB-O 3.07Å; Q12-E210 WeakPolarHBondContact CG-O 3.35Å; Q12-E210 PolarHBondContact OE1-O 3.14Å; Q12-E210 VanDerWaalsContact OE1-O 3.09Å
13R81.8Confident71.2Confident151 Ų151107.9 Ų107.957%0.5752%0.523SS*.  trans-138-8.1-167.4-61.9-175.9179.4-172.9-3.3115.1P8 R10 E210 R211P8-R13 PolarHBondContact O-NH2 3.32Å; R10-R13 WeakPolarHBondContact O-CG 3.41Å; R10-R13 PolarHBondContact O-NE 3.39Å; R13-E210 VanDerWaalsContact C-OE2 3.31Å; R13-E210 WeakPolarHBondContact CA-OE2 3.39Å; R13-R211 PolarHBondContact N-O 3.4Å
14F86.7Confident74.3Confident71 Ų71101.2 Ų101.231%0.31149%0.489SS..BIsolated β-bridgetrans-121.6132.3-170.8-55.3-70.4000111.4E210 R211 L212 N214F14-E210 CarbonylContact O-C 3.59Å; F14-R211 HydrophobicContact CB-CB 4.41Å; F14-R211 PolarHBondContact N-O 3.07Å; F14-R211 WeakPolarHBondContact O-CA 3.36Å; F14-R211 WeakPolarHBondContact O-CB 3.43Å; F14-R211 PolarHBondContact O-N 3.28Å; F14-L212 VanDerWaalsContact CD2-O 3.3Å; F14-L212 WeakPolarHBondContact CD2-O 3.42Å; F14-L212 VanDerWaalsContact CE2-O 3.28Å; F14-L212 WeakPolarHBondContact CE2-O 3.45Å; F14-N214 HydrophobicContact CB-CB 4.31Å; F14-N214 HydrophobicContact CD1-CB 3.52Å; F14-N214 HydrophobicContact CD2-CB 3.82Å; F14-N214 VanDerWaalsContact CD2-N 3.31Å; F14-N214 HydrophobicContact CE1-CB 3.65Å; F14-N214 HydrophobicContact CE2-CB 3.93Å; F14-N214 HydrophobicContact CG-CB 3.6Å; F14-N214 HydrophobicContact CZ-CB 3.85Å
15R87.3Confident77Confident63 Ų6392.4 Ų92.424%0.23846%0.459CS..PPolyproline II helixtrans-64144.5174.8-64.7-171.778.6-162.19.2110.9S115 Q116 V119 L205 P215R15-S115 PolarHBondContact NH1-O 3.49Å; R15-Q116 PolarHBondContact NH1-O 3.2Å; R15-V119 VanDerWaalsContact NH1-CG2 3.26Å; R15-L205 PolarHBondContact NH2-O 3.49Å; R15-P215 VanDerWaalsContact O-CG 3.25Å; R15-P215 WeakPolarHBondContact O-CG 3.47Å
16P91.1Very high79.5Confident12 Ų1288.5 Ų88.58%0.07844%0.44CS..PPolyproline II helixtrans-63.4165.9174.128.2-35.4000112.2T18 V207 R211P16-T18 PolarHBondContact O-N 2.9Å; P16-V207 HydrophobicContact CG-CB 3.67Å; P16-V207 HydrophobicContact CG-CG1 4.38Å; P16-V207 HydrophobicContact CG-CG2 3.94Å; P16-R211 HydrophobicContact CB-CG 4.12Å
17R91.1Very high82Confident179 Ų17986.6 Ų86.668%0.67542%0.418SS*.PPolyproline II helixtrans-67.6129170.7-65.4-173.2179.1110.20.6109.9P215R17-P215 HydrophobicContact CG-CB 3.43Å; R17-P215 VanDerWaalsContact CG-CB 3.43Å; R17-P215 HydrophobicContact CG-CG 4.05Å; R17-P215 PolarHBondContact NE-O 2.78Å; R17-P215 PolarHBondContact NH2-O 2.71Å
18T88.6Confident84.2Confident21 Ų2178.3 Ų78.313%0.12939%0.387CS..  trans-115.166.6178.154.60000109.8P16 C20 L21 Q116 V207P16-T18 PolarHBondContact O-N 2.9Å; T18-C20 PolarHBondContact O-N 3.35Å; T18-L21 PolarHBondContact O-N 2.91Å; T18-L21 WeakPolarHBondContact OG1-CD1 3.36Å; T18-Q116 VanDerWaalsContact OG1-CB 3.3Å; T18-Q116 WeakPolarHBondContact OG1-CB 3.37Å; T18-Q116 WeakPolarHBondContact OG1-CG 3.31Å; T18-V207 HydrophobicContact CG2-CG1 4.05Å
19H87.9Confident86.6Confident123 Ų12377.5 Ų77.557%0.56938%0.38SS*.Hα-helixtrans-63.3-23.9-175.8-176.271.6000113.3L21 K22 K23H19-L21 VanDerWaalsContact C-N 3.26Å; H19-L21 PolarHBondContact O-N 2.95Å; H19-K22 PolarHBondContact O-N 3.49Å; H19-K23 WeakPolarHBondContact NE2-CE 3.32Å
20C91.3Very high88.7Confident54 Ų5474 Ų7437%0.36536%0.359SS..Hα-helixtrans-56.2-38.3175.153.80000112.6T18 K22 K23 L24T18-C20 PolarHBondContact O-N 3.35Å; C20-K22 VanDerWaalsContact C-N 3.35Å; C20-K22 PolarHBondContact O-N 3.01Å; C20-K23 WeakPolarHBondContact O-CB 3.29Å; C20-K23 PolarHBondContact O-N 3.45Å; C20-L24 WeakPolarHBondContact O-CG 3.46Å; C20-L24 PolarHBondContact O-N 3.44Å
21L92.3Very high90.5Very high13 Ų1367.9 Ų67.97%0.06834%0.336CS..Hα-helixtrans-58-45.7-177-59.6-176.5000111.8T18 H19 K23 L24 D25 Y84 Y86 P114T18-L21 PolarHBondContact O-N 2.91Å; T18-L21 WeakPolarHBondContact OG1-CD1 3.36Å; H19-L21 VanDerWaalsContact C-N 3.26Å; H19-L21 PolarHBondContact O-N 2.95Å; L21-K23 PolarHBondContact O-N 2.87Å; L21-L24 CarbonylContact O-C 3.54Å; L21-L24 WeakPolarHBondContact O-CB 3.36Å; L21-L24 PolarHBondContact O-N 2.92Å; L21-D25 PolarHBondContact O-N 3.31Å; L21-Y84 HydrophobicContact CD2-CD1 3.8Å; L21-Y84 HydrophobicContact CD2-CE1 3.89Å; L21-Y86 PolarHBondContact O-OH 3.38Å; L21-P114 HydrophobicContact CD1-CB 4.2Å; L21-P114 HydrophobicContact CD2-CB 4.16Å; L21-P114 HydrophobicContact CD2-CG 3.81Å
22K91.3Very high91.6Very high151 Ų15168.8 Ų68.866%0.65732%0.324SS*.Hα-helixtrans-60.1-33.5177.2-68.5-171.6176.1-172.70113.2H19 C20 A26H19-K22 PolarHBondContact O-N 3.49Å; C20-K22 VanDerWaalsContact C-N 3.35Å; C20-K22 PolarHBondContact O-N 3.01Å; K22-A26 PolarHBondContact O-N 3.24Å
23K93.9Very high92.1Very high126 Ų12667.2 Ų67.255%0.54832%0.318SS..Hα-helixtrans-73.4-39.4176-64.7-174173.8-172.80111H19 C20 L21 A26 I27H19-K23 WeakPolarHBondContact NE2-CE 3.32Å; C20-K23 WeakPolarHBondContact O-CB 3.29Å; C20-K23 PolarHBondContact O-N 3.45Å; L21-K23 PolarHBondContact O-N 2.87Å; K23-A26 PolarHBondContact O-N 3.44Å; K23-I27 WeakPolarHBondContact O-CG1 3.31Å; K23-I27 PolarHBondContact O-N 3.25Å; K23-I27 VanDerWaalsContact O-N 3.14Å
24L94.8Very high92.5Very high10 Ų1066.2 Ų66.25%0.05233%0.331CS..Hα-helixtrans-65.9-43.6176.1-63.8178.5000111.2C20 L21 A26 I27 V28 F77 L81 Y84 Y86C20-L24 WeakPolarHBondContact O-CG 3.46Å; C20-L24 PolarHBondContact O-N 3.44Å; L21-L24 CarbonylContact O-C 3.54Å; L21-L24 WeakPolarHBondContact O-CB 3.36Å; L21-L24 PolarHBondContact O-N 2.92Å; L24-A26 VanDerWaalsContact C-N 3.33Å; L24-A26 PolarHBondContact O-N 3.28Å; L24-I27 PolarHBondContact O-N 2.68Å; L24-V28 VanDerWaalsContact O-CG2 3.26Å; L24-V28 WeakPolarHBondContact O-CG2 3.49Å; L24-V28 PolarHBondContact O-N 2.98Å; L24-F77 HydrophobicContact CD2-CE2 3.9Å; L24-F77 HydrophobicContact CD2-CZ 3.77Å; L24-L81 HydrophobicContact CD2-CD2 3.94Å; L24-Y84 HydrophobicContact CD1-CD2 3.85Å; L24-Y84 HydrophobicContact CD1-CE2 4.21Å; L24-Y84 HydrophobicContact CD1-CG 4.09Å; L24-Y86 HydrophobicContact CB-CD2 4.26Å; L24-Y86 HydrophobicContact CB-CE2 3.61Å; L24-Y86 HydrophobicContact CD1-CD2 4.36Å; L24-Y86 HydrophobicContact CD1-CE2 3.76Å; L24-Y86 HydrophobicContact CG-CE2 4.34Å
25D94.6Very high92.7Very high43 Ų4371.9 Ų71.923%0.2336%0.356CS..Hα-helixtrans-50.5-53.1174-64.1-19.2000110.6L21 I27 V28 V29 Y86 W113L21-D25 PolarHBondContact O-N 3.31Å; D25-I27 PolarHBondContact O-N 3.45Å; D25-V28 PolarHBondContact O-N 2.97Å; D25-V29 WeakPolarHBondContact O-CG2 3.43Å; D25-V29 PolarHBondContact O-N 3.49Å; D25-Y86 WeakPolarHBondContact OD1-CE1 3.33Å; D25-Y86 VanDerWaalsContact OD1-CZ 3.22Å; D25-Y86 PolarHBondContact OD1-OH 2.9Å; D25-W113 HydrophobicContact CB-CE3 4.12Å; D25-W113 HydrophobicContact CB-CZ3 3.75Å; D25-W113 VanDerWaalsContact OD1-CE3 3.29Å
26A95.3Very high92.8Very high48 Ų4874.8 Ų74.840%0.39738%0.376SS..Hα-helixtrans-60.6-44.1-179.600000112.5K22 K23 L24 V28 V29 E30K22-A26 PolarHBondContact O-N 3.24Å; K23-A26 PolarHBondContact O-N 3.44Å; L24-A26 VanDerWaalsContact C-N 3.33Å; L24-A26 PolarHBondContact O-N 3.28Å; A26-V28 PolarHBondContact O-N 2.87Å; A26-V29 PolarHBondContact O-N 2.91Å; A26-E30 WeakPolarHBondContact O-CG 3.29Å; A26-E30 PolarHBondContact O-N 3.38Å
27I95.6Very high92.9Very high36 Ų3674.8 Ų74.819%0.18538%0.379CS..Hα-helixtrans-63.5-42.7178.2-69.7166.2000110.8K23 L24 D25 E30 M31 W62 M67 F77K23-I27 WeakPolarHBondContact O-CG1 3.31Å; K23-I27 PolarHBondContact O-N 3.25Å; K23-I27 VanDerWaalsContact O-N 3.14Å; L24-I27 PolarHBondContact O-N 2.68Å; D25-I27 PolarHBondContact O-N 3.45Å; I27-E30 WeakPolarHBondContact O-CB 3.39Å; I27-E30 PolarHBondContact O-N 3.03Å; I27-M31 HydrophobicContact CG2-CG 4.35Å; I27-M31 HydrophobicContact CG2-SD 4.09Å; I27-M31 VanDerWaalsContact O-CG 3.28Å; I27-M31 WeakPolarHBondContact O-CG 3.38Å; I27-M31 PolarHBondContact O-N 3.18Å; I27-W62 HydrophobicContact CG2-CZ3 4.39Å; I27-M67 HydrophobicContact CD1-CE 3.79Å; I27-M67 HydrophobicContact CG1-CE 4.49Å; I27-M67 HydrophobicContact CG2-CE 4.25Å; I27-F77 HydrophobicContact CD1-CE1 4.49Å; I27-F77 HydrophobicContact CD1-CE2 4.45Å; I27-F77 HydrophobicContact CD1-CZ 3.71Å; I27-F77 HydrophobicContact CG2-CE1 4.1Å; I27-F77 HydrophobicContact CG2-CZ 4.25Å
28V96.1Very high93Very high0 Ų067 Ų670%035%0.351CS..Hα-helixtrans-67.1-38-179.4173.90000111.1L24 D25 A26 E30 M31 Q32 L81 Y86 F107 W113L24-V28 VanDerWaalsContact O-CG2 3.26Å; L24-V28 WeakPolarHBondContact O-CG2 3.49Å; L24-V28 PolarHBondContact O-N 2.98Å; D25-V28 PolarHBondContact O-N 2.97Å; A26-V28 PolarHBondContact O-N 2.87Å; V28-E30 VanDerWaalsContact C-N 3.34Å; V28-M31 WeakPolarHBondContact O-CB 3.49Å; V28-M31 PolarHBondContact O-N 3.49Å; V28-Q32 WeakPolarHBondContact O-CG 3.44Å; V28-Q32 PolarHBondContact O-N 3Å; V28-Q32 VanDerWaalsContact O-N 3.16Å; V28-L81 HydrophobicContact CG2-CD2 3.91Å; V28-Y86 HydrophobicContact CB-CD1 4.24Å; V28-Y86 HydrophobicContact CG1-CD1 4.33Å; V28-Y86 HydrophobicContact CG2-CD1 3.73Å; V28-Y86 HydrophobicContact CG2-CG 3.82Å; V28-F107 HydrophobicContact CG1-CD1 4.01Å; V28-F107 HydrophobicContact CG1-CE1 4.39Å; V28-W113 HydrophobicContact CB-CH2 4.35Å; V28-W113 HydrophobicContact CB-CZ2 4.28Å; V28-W113 HydrophobicContact CG1-CH2 4.13Å; V28-W113 HydrophobicContact CG1-CZ2 3.63Å
29V95.6Very high93Very high84 Ų8474.4 Ų74.451%0.50938%0.381SS..Hα-helixtrans-59.7-45.2171.4172.70000110.9D25 A26 M31 Q32 D33 W113D25-V29 WeakPolarHBondContact O-CG2 3.43Å; D25-V29 PolarHBondContact O-N 3.49Å; A26-V29 PolarHBondContact O-N 2.91Å; V29-M31 VanDerWaalsContact C-N 3.34Å; V29-M31 PolarHBondContact O-N 3.47Å; V29-Q32 PolarHBondContact O-N 3.14Å; V29-Q32 VanDerWaalsContact O-N 3.14Å; V29-D33 PolarHBondContact O-N 2.99Å; V29-W113 HydrophobicContact CG2-CH2 3.86Å; V29-W113 HydrophobicContact CG2-CZ3 4.41Å
30E96Very high92.9Very high83 Ų8370.7 Ų70.739%0.38838%0.377SS..Hα-helixtrans-64.3-37.3176.6-71.3-177.3-149.100112.6A26 I27 V28 Q32 D33 W62 K66A26-E30 WeakPolarHBondContact O-CG 3.29Å; A26-E30 PolarHBondContact O-N 3.38Å; I27-E30 WeakPolarHBondContact O-CB 3.39Å; I27-E30 PolarHBondContact O-N 3.03Å; V28-E30 VanDerWaalsContact C-N 3.34Å; E30-Q32 PolarHBondContact O-N 3.43Å; E30-D33 WeakPolarHBondContact O-CB 3.31Å; E30-D33 PolarHBondContact O-N 3.26Å; E30-D33 VanDerWaalsContact O-N 3.15Å; E30-W62 HydrophobicContact CB-CH2 4.22Å; E30-W62 HydrophobicContact CB-CZ2 4.33Å; E30-K66 WeakPolarHBondContact OE2-CE 3.3Å; E30-K66 IonicContact OE2-NZ 2.66Å; E30-K66 PolarHBondContact OE2-NZ 3.24Å
31M96.2Very high92.6Very high0 Ų071 Ų710%038%0.379CS..Hα-helixtrans-63.9-23175.3-72.7177.677.200112.8I27 V28 V29 G37 V38 I59 W62 L81 I87 F107I27-M31 HydrophobicContact CG2-CG 4.35Å; I27-M31 HydrophobicContact CG2-SD 4.09Å; I27-M31 VanDerWaalsContact O-CG 3.28Å; I27-M31 WeakPolarHBondContact O-CG 3.38Å; I27-M31 PolarHBondContact O-N 3.18Å; V28-M31 WeakPolarHBondContact O-CB 3.49Å; V28-M31 PolarHBondContact O-N 3.49Å; V29-M31 VanDerWaalsContact C-N 3.34Å; V29-M31 PolarHBondContact O-N 3.47Å; M31-G37 CarbonylContact O-C 3.58Å; M31-G37 VanDerWaalsContact O-CA 3.29Å; M31-G37 WeakPolarHBondContact O-CA 3.42Å; M31-V38 HydrophobicContact CB-CG2 4.11Å; M31-V38 HydrophobicContact CE-CG2 3.69Å; M31-V38 HydrophobicContact CG-CG2 4.32Å; M31-V38 PolarHBondContact O-N 3.29Å; M31-I59 HydrophobicContact CE-CG2 3.77Å; M31-W62 HydrophobicContact CB-CH2 4.38Å; M31-W62 HydrophobicContact CE-CE3 4.38Å; M31-W62 HydrophobicContact CG-CD2 4.11Å; M31-W62 HydrophobicContact CG-CE3 3.59Å; M31-W62 HydrophobicContact CG-CH2 3.42Å; M31-W62 VanDerWaalsContact CG-CH2 3.42Å; M31-W62 HydrophobicContact CG-CZ2 3.94Å; M31-W62 HydrophobicContact CG-CZ3 3.23Å; M31-W62 HydrophobicContact SD-CE3 4.32Å; M31-W62 HydrophobicContact SD-CZ3 4.08Å; M31-L81 HydrophobicContact CE-CD1 4.17Å; M31-L81 HydrophobicContact SD-CD1 3.72Å; M31-I87 HydrophobicContact CE-CD1 3.94Å; M31-F107 HydrophobicContact CB-CE1 3.85Å; M31-F107 HydrophobicContact CB-CZ 3.76Å; M31-F107 HydrophobicContact CE-CE1 4.19Å; M31-F107 HydrophobicContact CE-CZ 4.37Å; M31-F107 HydrophobicContact SD-CE1 4.47Å
32Q94Very high92.2Very high81 Ų8176.8 Ų76.838%0.37941%0.406SS..THydrogen-bonded Turntrans-91.40.1178.2-69.9177.5-29.400113.4V28 V29 E30 F107V28-Q32 WeakPolarHBondContact O-CG 3.44Å; V28-Q32 PolarHBondContact O-N 3Å; V28-Q32 VanDerWaalsContact O-N 3.16Å; V29-Q32 PolarHBondContact O-N 3.14Å; V29-Q32 VanDerWaalsContact O-N 3.14Å; E30-Q32 PolarHBondContact O-N 3.43Å; Q32-F107 HydrophobicContact CG-CB 4.48Å; Q32-F107 HydrophobicContact CG-CD1 4.05Å; Q32-F107 HydrophobicContact CG-CD2 3.7Å; Q32-F107 HydrophobicContact CG-CE1 4.17Å; Q32-F107 HydrophobicContact CG-CE2 3.81Å; Q32-F107 HydrophobicContact CG-CG 3.83Å; Q32-F107 HydrophobicContact CG-CZ 4.06Å; Q32-F107 VanDerWaalsContact NE2-CG 3.33Å
33D93.6Very high91.8Very high63 Ų6370.8 Ų70.834%0.33738%0.38SS..  trans-59.4129-179.6-178.1-101.4000111.4V29 E30 K35 N36 G37V29-D33 PolarHBondContact O-N 2.99Å; E30-D33 WeakPolarHBondContact O-CB 3.31Å; E30-D33 PolarHBondContact O-N 3.26Å; E30-D33 VanDerWaalsContact O-N 3.15Å; D33-K35 PolarHBondContact O-N 2.95Å; D33-K35 VanDerWaalsContact O-N 3.14Å; D33-K35 PolarHBondContact OD1-N 3.08Å; D33-N36 WeakPolarHBondContact OD1-CB 3.31Å; D33-N36 PolarHBondContact OD1-N 3.03Å; D33-N36 PolarHBondContact OD1-ND2 2.89Å; D33-G37 WeakPolarHBondContact O-CA 3.48Å; D33-G37 PolarHBondContact O-N 3.37Å
34P89.6Confident91Very high130 Ų13072.8 Ų72.884%0.84439%0.389SS*.THydrogen-bonded Turntrans-62.4-24-176.1-2634.7000115
35K89.8Confident90.1Very high189 Ų18975.5 Ų75.582%0.82240%0.403SS*.THydrogen-bonded Turntrans-100-43.9-175.8-64.5-178-179.5179.60112D33D33-K35 PolarHBondContact O-N 2.95Å; D33-K35 VanDerWaalsContact O-N 3.14Å; D33-K35 PolarHBondContact OD1-N 3.08Å
36N91.1Very high89.2Confident124 Ų12480.9 Ų80.966%0.66343%0.432SS*.THydrogen-bonded Turntrans-114.9-2.2-169.5-57.8-58.1000113.4D33 W62D33-N36 WeakPolarHBondContact OD1-CB 3.31Å; D33-N36 PolarHBondContact OD1-N 3.03Å; D33-N36 PolarHBondContact OD1-ND2 2.89Å; N36-W62 PolarHBondContact O-NE1 3.12Å
37G91.9Very high87.7Confident13 Ų1385.3 Ų85.313%0.13445%0.454CS..SBendtrans-80.1-171.8-178.700000114.1M31 D33 K39M31-G37 CarbonylContact O-C 3.58Å; M31-G37 VanDerWaalsContact O-CA 3.29Å; M31-G37 WeakPolarHBondContact O-CA 3.42Å; D33-G37 WeakPolarHBondContact O-CA 3.48Å; D33-G37 PolarHBondContact O-N 3.37Å; G37-K39 PolarHBondContact O-N 3.46Å
38V93.9Very high86.8Confident16 Ų1685 Ų8510%0.09745%0.454CS..  trans-71.5123.2178.9-175.90000109.3M31 G40 I54 N58 I59 W62 F107M31-V38 HydrophobicContact CB-CG2 4.11Å; M31-V38 HydrophobicContact CE-CG2 3.69Å; M31-V38 HydrophobicContact CG-CG2 4.32Å; M31-V38 PolarHBondContact O-N 3.29Å; V38-G40 PolarHBondContact O-N 3.05Å; V38-G40 VanDerWaalsContact O-N 3.15Å; V38-I54 HydrophobicContact CB-CG2 4.38Å; V38-I54 HydrophobicContact CG1-CB 4.06Å; V38-I54 HydrophobicContact CG1-CG2 3.82Å; V38-N58 HydrophobicContact CG1-CB 3.94Å; V38-I59 HydrophobicContact CG1-CG1 4.12Å; V38-W62 HydrophobicContact CG2-CB 3.91Å; V38-W62 HydrophobicContact CG2-CD2 4.18Å; V38-W62 HydrophobicContact CG2-CG 3.79Å; V38-F107 HydrophobicContact CB-CZ 4.35Å; V38-F107 HydrophobicContact CG2-CZ 4.31Å
39K87.6Confident86Confident175 Ų17588.1 Ų88.176%0.76147%0.473SS*.  trans-65115.3178.6-65.7-174.8179.5-178.70110.7G37 N58G37-K39 PolarHBondContact O-N 3.46Å; K39-N58 PolarHBondContact O-ND2 2.66Å
40G85.6Confident85.4Confident46 Ų4684.2 Ų84.247%0.47445%0.449SS..  trans-86.6157.5172.900000113V38 A53V38-G40 PolarHBondContact O-N 3.05Å; V38-G40 VanDerWaalsContact O-N 3.15Å; G40-A53 CarbonylContact C-O 3.57Å; G40-A53 VanDerWaalsContact CA-O 3.27Å; G40-A53 WeakPolarHBondContact CA-O 3.32Å
41S85.1Confident84.5Confident60 Ų6083.4 Ų83.442%0.4245%0.451SS..EExtended strand (participates in β ladder)trans-128.2166.7172.862.70000110.9H52 A53S41-H52 PolarHBondContact O-N 3.34Å; S41-A53 PolarHBondContact N-O 3.36Å; S41-A53 PolarHBondContact O-N 3.08Å; S41-A53 PolarHBondContact OG-O 2.86Å
42E84.9Confident84Confident134 Ų13490.2 Ų90.263%0.62648%0.482SS*.EExtended strand (participates in β ladder)trans-82.7132.9173.8-66.8-175.716800111T49E42-T49 HydrophobicContact CB-CG2 3.71Å; E42-T49 HydrophobicContact CG-CG2 4.06Å; E42-T49 WeakPolarHBondContact OE2-CG2 3.21Å
43Q82.1Confident83.8Confident26 Ų2686.4 Ų86.412%0.12146%0.464CS..EExtended strand (participates in β ladder)trans-96.8122.9171.1-174.7-170.311.600109.8L45 T49 I50 A53 L90 L104Q43-L45 HydrophobicContact CG-CG 4.25Å; Q43-T49 CarbonylContact O-C 3.59Å; Q43-T49 WeakPolarHBondContact O-CA 3.44Å; Q43-I50 PolarHBondContact N-O 3.21Å; Q43-I50 PolarHBondContact O-N 3.09Å; Q43-A53 HydrophobicContact CB-CB 4.05Å; Q43-L90 VanDerWaalsContact OE1-CD1 3.28Å; Q43-L104 HydrophobicContact CG-CD1 4.04Å
44K78.8Confident83.9Confident167 Ų16783.5 Ų83.573%0.72645%0.449SS*.EExtended strand (participates in β ladder)trans-88.9118.7170.4-64.7-174.9179.8-178.40110.4
45L74.4Confident84.1Confident67 Ų6778.6 Ų78.635%0.35142%0.416SS..EExtended strand (participates in β ladder)trans-117.9101.2174.5-82.9164.7000109.5Q43 V47 T48 I50 V182Q43-L45 HydrophobicContact CG-CG 4.25Å; L45-V47 PolarHBondContact O-N 2.95Å; L45-T48 PolarHBondContact N-O 2.77Å; L45-T48 PolarHBondContact O-N 2.93Å; L45-I50 HydrophobicContact CD1-CD1 3.62Å; L45-I50 HydrophobicContact CD1-CG1 4.37Å; L45-V182 HydrophobicContact CD1-CG1 4.29Å
46N75.6Confident84.3Confident156 Ų15669.6 Ų69.683%0.83438%0.377SS*.THydrogen-bonded Turntrans54.2-105.7-170.7-57.2-10000110.7
47V64.3Low84.5Confident142 Ų14265.4 Ų65.486%0.86136%0.36SS*.THydrogen-bonded Turntrans-101.8-3.3-179.5-168.30000111.9L45L45-V47 PolarHBondContact O-N 2.95Å
48T77.6Confident84.6Confident30 Ų3068.2 Ų68.218%0.18437%0.372CS..EExtended strand (participates in β ladder)trans-109.2122-174-51.50000110.6L45 I50 A179L45-T48 PolarHBondContact N-O 2.77Å; L45-T48 PolarHBondContact O-N 2.93Å; T48-I50 HydrophobicContact CG2-CG1 4.4Å; T48-A179 HydrophobicContact CG2-CB 3.65Å
49T79.4Confident84.7Confident64 Ų6467.4 Ų67.439%0.39337%0.367SS..EExtended strand (participates in β ladder)trans-88.7128.8172.3-54.90000109.6E42 Q43E42-T49 HydrophobicContact CB-CG2 3.71Å; E42-T49 HydrophobicContact CG-CG2 4.06Å; E42-T49 WeakPolarHBondContact OE2-CG2 3.21Å; Q43-T49 CarbonylContact O-C 3.59Å; Q43-T49 WeakPolarHBondContact O-CA 3.44Å
50I82.3Confident85.1Confident3 Ų359.2 Ų59.22%0.01533%0.332CS..EExtended strand (participates in β ladder)trans-118.4121.8178.1-50-170.9000109Q43 L45 T48 A179 V182 V183Q43-I50 PolarHBondContact N-O 3.21Å; Q43-I50 PolarHBondContact O-N 3.09Å; L45-I50 HydrophobicContact CD1-CD1 3.62Å; L45-I50 HydrophobicContact CD1-CG1 4.37Å; T48-I50 HydrophobicContact CG2-CG1 4.4Å; I50-A179 HydrophobicContact CG1-CB 4.15Å; I50-V182 HydrophobicContact CD1-CB 4.03Å; I50-V182 HydrophobicContact CD1-CG1 3.81Å; I50-V183 HydrophobicContact CD1-CG2 4.39Å; I50-V183 HydrophobicContact CG2-CG2 3.36Å
51P77.9Confident85.6Confident65 Ų6559.8 Ų59.842%0.42233%0.332SS..EExtended strand (participates in β ladder)trans-75.1173.7-176.131.8-36.1000113.1A53P51-A53 PolarHBondContact O-N 3.38Å
52H84.8Confident86.1Confident144 Ų14458.6 Ų58.667%0.66732%0.319SS*.EExtended strand (participates in β ladder)trans6033.2169.5-50.6-66.2000116.4S41S41-H52 PolarHBondContact O-N 3.34Å
53A90.6Very high86.7Confident0 Ų052.2 Ų52.20%029%0.289CS..EExtended strand (participates in β ladder)trans-77.8138.8165.200000109.7G40 S41 Q43 P51 L90 L104G40-A53 CarbonylContact C-O 3.57Å; G40-A53 VanDerWaalsContact CA-O 3.27Å; G40-A53 WeakPolarHBondContact CA-O 3.32Å; S41-A53 PolarHBondContact N-O 3.36Å; S41-A53 PolarHBondContact O-N 3.08Å; S41-A53 PolarHBondContact OG-O 2.86Å; Q43-A53 HydrophobicContact CB-CB 4.05Å; P51-A53 PolarHBondContact O-N 3.38Å; A53-L90 HydrophobicContact CB-CD1 4.34Å; A53-L104 HydrophobicContact CB-CD2 4.38Å
54I94.6Very high87.4Confident3 Ų352.2 Ų52.22%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-121144.8179.352176.5000109.5V38 I59 L104 Y105 F107V38-I54 HydrophobicContact CB-CG2 4.38Å; V38-I54 HydrophobicContact CG1-CB 4.06Å; V38-I54 HydrophobicContact CG1-CG2 3.82Å; I54-I59 HydrophobicContact CB-CG1 4.48Å; I54-I59 HydrophobicContact CD1-CD1 3.59Å; I54-I59 HydrophobicContact CD1-CG1 3.78Å; I54-I59 HydrophobicContact CG1-CD1 3.93Å; I54-I59 HydrophobicContact CG1-CG1 4.27Å; I54-L104 WeakPolarHBondContact O-CA 3.4Å; I54-Y105 VanDerWaalsContact CG1-O 3.31Å; I54-Y105 WeakPolarHBondContact CG1-O 3.5Å; I54-Y105 PolarHBondContact N-O 3.43Å; I54-Y105 PolarHBondContact O-N 2.9Å; I54-F107 HydrophobicContact CD1-CD1 4.47Å; I54-F107 HydrophobicContact CD1-CD2 4Å; I54-F107 HydrophobicContact CD1-CE1 4.1Å; I54-F107 HydrophobicContact CD1-CE2 3.61Å; I54-F107 HydrophobicContact CD1-CG 4.42Å; I54-F107 HydrophobicContact CD1-CZ 3.64Å; I54-F107 HydrophobicContact CG2-CE2 4.36Å
55T94.5Very high88.2Confident26 Ų2649.5 Ų49.516%0.1628%0.284CS..EExtended strand (participates in β ladder)trans-89.2149.9177.661.60000110.9A57 N58 I59 S103 L104T55-A57 PolarHBondContact O-N 3.23Å; T55-N58 PolarHBondContact O-N 3.34Å; T55-N58 VanDerWaalsContact O-N 3.16Å; T55-N58 WeakPolarHBondContact OG1-CB 3.34Å; T55-N58 PolarHBondContact OG1-N 3.36Å; T55-N58 PolarHBondContact OG1-ND2 3.06Å; T55-N58 PolarHBondContact OG1-OD1 3.45Å; T55-I59 WeakPolarHBondContact O-CG1 3.34Å; T55-I59 PolarHBondContact O-N 3.27Å; T55-I59 VanDerWaalsContact O-N 3.09Å; T55-S103 WeakPolarHBondContact CA-O 3.29Å; T55-L104 HydrophobicContact CG2-CD2 4.07Å
56G93.8Very high89.2Confident0 Ų051.8 Ų51.80%029%0.292CS..Hα-helixtrans-57.4-37.8173.700000113I59 T60 C99 D101 S103G56-I59 PolarHBondContact O-N 2.99Å; G56-T60 WeakPolarHBondContact O-CB 3.18Å; G56-T60 PolarHBondContact O-N 3.4Å; G56-T60 PolarHBondContact O-OG1 3.14Å; G56-C99 WeakPolarHBondContact CA-O 3.33Å; G56-D101 PolarHBondContact N-O 3.11Å; G56-S103 PolarHBondContact N-O 2.98Å
57A94.6Very high90.1Very high36 Ų3647.8 Ų47.830%0.29827%0.269SS..Hα-helixtrans-60.8-44173.700000113.2T55 T60 A61 N100 D101T55-A57 PolarHBondContact O-N 3.23Å; A57-T60 PolarHBondContact O-N 3.14Å; A57-A61 VanDerWaalsContact O-CB 3.31Å; A57-A61 WeakPolarHBondContact O-CB 3.34Å; A57-A61 PolarHBondContact O-N 3.16Å; A57-N100 WeakPolarHBondContact CA-OD1 3.25Å; A57-D101 PolarHBondContact N-O 3Å
58N95.1Very high91.6Very high72 Ų7248.7 Ų48.739%0.38526%0.261SS..Hα-helixtrans-67.6-39.1178.9-72.6-1.3000111.9V38 K39 T55 W62V38-N58 HydrophobicContact CG1-CB 3.94Å; K39-N58 PolarHBondContact O-ND2 2.66Å; T55-N58 PolarHBondContact O-N 3.34Å; T55-N58 VanDerWaalsContact O-N 3.16Å; T55-N58 WeakPolarHBondContact OG1-CB 3.34Å; T55-N58 PolarHBondContact OG1-N 3.36Å; T55-N58 PolarHBondContact OG1-ND2 3.06Å; T55-N58 PolarHBondContact OG1-OD1 3.45Å; N58-W62 WeakPolarHBondContact O-CB 3.47Å; N58-W62 PolarHBondContact O-N 3.21Å
59I95.7Very high92.4Very high0 Ų048.7 Ų48.70%026%0.261CS..Hα-helixtrans-61-50.7175.2-66.2164.6000110M31 V38 I54 T55 G56 A61 W62 I63 I87 M98 Y105M31-I59 HydrophobicContact CE-CG2 3.77Å; V38-I59 HydrophobicContact CG1-CG1 4.12Å; I54-I59 HydrophobicContact CB-CG1 4.48Å; I54-I59 HydrophobicContact CD1-CD1 3.59Å; I54-I59 HydrophobicContact CD1-CG1 3.78Å; I54-I59 HydrophobicContact CG1-CD1 3.93Å; I54-I59 HydrophobicContact CG1-CG1 4.27Å; T55-I59 WeakPolarHBondContact O-CG1 3.34Å; T55-I59 PolarHBondContact O-N 3.27Å; T55-I59 VanDerWaalsContact O-N 3.09Å; G56-I59 PolarHBondContact O-N 2.99Å; I59-A61 PolarHBondContact O-N 2.82Å; I59-W62 PolarHBondContact O-N 2.9Å; I59-I63 HydrophobicContact CG2-CD1 3.65Å; I59-I63 HydrophobicContact CG2-CG1 4.49Å; I59-I63 WeakPolarHBondContact O-CG1 3.47Å; I59-I63 PolarHBondContact O-N 3.32Å; I59-I87 HydrophobicContact CD1-CD1 4.28Å; I59-I87 HydrophobicContact CD1-CG2 4.25Å; I59-M98 HydrophobicContact CB-SD 4.17Å; I59-M98 HydrophobicContact CD1-SD 4.49Å; I59-M98 HydrophobicContact CG2-SD 3.67Å; I59-Y105 HydrophobicContact CD1-CD2 4.12Å; I59-Y105 HydrophobicContact CD1-CG 4.19Å
60T96Very high93.3Very high2 Ų248.6 Ų48.61%0.01226%0.263CS..Hα-helixtrans-61.2-47.4-178.8-52.10000110.8G56 A57 W62 I63 C64 T71 A74 M98G56-T60 WeakPolarHBondContact O-CB 3.18Å; G56-T60 PolarHBondContact O-N 3.4Å; G56-T60 PolarHBondContact O-OG1 3.14Å; A57-T60 PolarHBondContact O-N 3.14Å; T60-W62 VanDerWaalsContact C-N 3.32Å; T60-W62 PolarHBondContact O-N 3.49Å; T60-I63 PolarHBondContact O-N 3.05Å; T60-C64 PolarHBondContact O-N 3.2Å; T60-C64 PolarHBondContact O-SG 3.07Å; T60-T71 HydrophobicContact CG2-CG2 3.87Å; T60-A74 HydrophobicContact CG2-CB 3.98Å; T60-M98 WeakPolarHBondContact OG1-CE 3.33Å
61A95.5Very high93.9Very high59 Ų5952 Ų5249%0.48828%0.284SS..Hα-helixtrans-60.5-39.7177.800000112.7A57 I59 N65A57-A61 VanDerWaalsContact O-CB 3.31Å; A57-A61 WeakPolarHBondContact O-CB 3.34Å; A57-A61 PolarHBondContact O-N 3.16Å; I59-A61 PolarHBondContact O-N 2.82Å; A61-N65 WeakPolarHBondContact O-CB 3.42Å; A61-N65 PolarHBondContact O-N 3.06Å; A61-N65 VanDerWaalsContact O-N 3.09Å
62W96.4Very high94.7Very high35 Ų3556.4 Ų56.413%0.13330%0.299CS..Hα-helixtrans-63.6-46.2175.8-173.396.4000111.5I27 E30 M31 N36 V38 N58 I59 T60 N65 K66I27-W62 HydrophobicContact CG2-CZ3 4.39Å; E30-W62 HydrophobicContact CB-CH2 4.22Å; E30-W62 HydrophobicContact CB-CZ2 4.33Å; M31-W62 HydrophobicContact CB-CH2 4.38Å; M31-W62 HydrophobicContact CE-CE3 4.38Å; M31-W62 HydrophobicContact CG-CD2 4.11Å; M31-W62 HydrophobicContact CG-CE3 3.59Å; M31-W62 HydrophobicContact CG-CH2 3.42Å; M31-W62 VanDerWaalsContact CG-CH2 3.42Å; M31-W62 HydrophobicContact CG-CZ2 3.94Å; M31-W62 HydrophobicContact CG-CZ3 3.23Å; M31-W62 HydrophobicContact SD-CE3 4.32Å; M31-W62 HydrophobicContact SD-CZ3 4.08Å; N36-W62 PolarHBondContact O-NE1 3.12Å; V38-W62 HydrophobicContact CG2-CB 3.91Å; V38-W62 HydrophobicContact CG2-CD2 4.18Å; V38-W62 HydrophobicContact CG2-CG 3.79Å; N58-W62 WeakPolarHBondContact O-CB 3.47Å; N58-W62 PolarHBondContact O-N 3.21Å; I59-W62 PolarHBondContact O-N 2.9Å; T60-W62 VanDerWaalsContact C-N 3.32Å; T60-W62 PolarHBondContact O-N 3.49Å; W62-N65 PolarHBondContact O-N 3.46Å; W62-K66 HydrophobicContact CD2-CB 4.46Å; W62-K66 HydrophobicContact CE3-CB 4.16Å; W62-K66 HydrophobicContact CH2-CB 4.19Å; W62-K66 HydrophobicContact CH2-CD 4.38Å; W62-K66 HydrophobicContact CH2-CG 3.82Å; W62-K66 HydrophobicContact CZ2-CB 4.47Å; W62-K66 HydrophobicContact CZ2-CD 4.49Å; W62-K66 HydrophobicContact CZ2-CG 4.29Å; W62-K66 HydrophobicContact CZ3-CB 4.01Å; W62-K66 HydrophobicContact CZ3-CG 3.99Å; W62-K66 VanDerWaalsContact O-CB 3.32Å; W62-K66 WeakPolarHBondContact O-CB 3.25Å; W62-K66 PolarHBondContact O-N 2.81Å
63I96.6Very high95.2Very high0 Ų055.6 Ų55.60%030%0.296CS..Hα-helixtrans-62-47.8178.4-65.3160.4000110.6I59 T60 N65 K66 M67 T69 A74 F77I59-I63 HydrophobicContact CG2-CD1 3.65Å; I59-I63 HydrophobicContact CG2-CG1 4.49Å; I59-I63 WeakPolarHBondContact O-CG1 3.47Å; I59-I63 PolarHBondContact O-N 3.32Å; T60-I63 PolarHBondContact O-N 3.05Å; I63-N65 VanDerWaalsContact C-N 3.3Å; I63-N65 PolarHBondContact O-N 2.92Å; I63-K66 PolarHBondContact O-N 3.45Å; I63-M67 HydrophobicContact CG2-CE 4.44Å; I63-M67 HydrophobicContact CG2-CG 4.28Å; I63-M67 HydrophobicContact CG2-SD 3.88Å; I63-M67 WeakPolarHBondContact O-CB 3.42Å; I63-M67 PolarHBondContact O-N 2.81Å; I63-T69 HydrophobicContact CG2-CG2 4.41Å; I63-A74 HydrophobicContact CB-CB 4.01Å; I63-A74 HydrophobicContact CG2-CB 3.65Å; I63-F77 HydrophobicContact CD1-CD1 3.95Å; I63-F77 HydrophobicContact CG1-CD1 4.25Å; I63-F77 HydrophobicContact CG2-CB 4.5Å; I63-F77 HydrophobicContact CG2-CD1 4.01Å
64C96.5Very high95.5Very high25 Ų2555.6 Ų55.617%0.16930%0.296CS..Hα-helixtrans-53.9-47.8176.6-67.70000111.4T60 K68 T69 A74T60-C64 PolarHBondContact O-N 3.2Å; T60-C64 PolarHBondContact O-SG 3.07Å; C64-K68 VanDerWaalsContact O-CA 3.27Å; C64-K68 WeakPolarHBondContact O-CA 3.35Å; C64-K68 PolarHBondContact O-N 3.47Å; C64-T69 PolarHBondContact O-N 3.35Å; C64-A74 WeakPolarHBondContact SG-CB 3.44Å
65N95.6Very high95.5Very high110 Ų11058.7 Ų58.759%0.58831%0.31SS*.Hα-helixtrans-69.4-41.3-178.1-176.131.1000112.7A61 W62 I63 K68A61-N65 WeakPolarHBondContact O-CB 3.42Å; A61-N65 PolarHBondContact O-N 3.06Å; A61-N65 VanDerWaalsContact O-N 3.09Å; W62-N65 PolarHBondContact O-N 3.46Å; I63-N65 VanDerWaalsContact C-N 3.3Å; I63-N65 PolarHBondContact O-N 2.92Å; N65-K68 WeakPolarHBondContact O-CD 3.47Å; N65-K68 WeakPolarHBondContact O-CE 3.19Å; N65-K68 PolarHBondContact O-NZ 2.67Å; N65-K68 PolarHBondContact OD1-NZ 3.47Å
66K95Very high95.6Very high115 Ų11561.9 Ų61.950%0.533%0.329SS..Hα-helixtrans-71.6-45-177.5179.966.3176.3-162.20112.2E30 W62 I63E30-K66 WeakPolarHBondContact OE2-CE 3.3Å; E30-K66 IonicContact OE2-NZ 2.66Å; E30-K66 PolarHBondContact OE2-NZ 3.24Å; W62-K66 HydrophobicContact CD2-CB 4.46Å; W62-K66 HydrophobicContact CE3-CB 4.16Å; W62-K66 HydrophobicContact CH2-CB 4.19Å; W62-K66 HydrophobicContact CH2-CD 4.38Å; W62-K66 HydrophobicContact CH2-CG 3.82Å; W62-K66 HydrophobicContact CZ2-CB 4.47Å; W62-K66 HydrophobicContact CZ2-CD 4.49Å; W62-K66 HydrophobicContact CZ2-CG 4.29Å; W62-K66 HydrophobicContact CZ3-CB 4.01Å; W62-K66 HydrophobicContact CZ3-CG 3.99Å; W62-K66 VanDerWaalsContact O-CB 3.32Å; W62-K66 WeakPolarHBondContact O-CB 3.25Å; W62-K66 PolarHBondContact O-N 2.81Å; I63-K66 PolarHBondContact O-N 3.45Å
67M94.5Very high95.7Very high72 Ų7263.6 Ų63.636%0.35534%0.337SS..Hα-helixtrans-92.8-7.4-175-59.8-16918000113.6I27 I63 T69 F77I27-M67 HydrophobicContact CD1-CE 3.79Å; I27-M67 HydrophobicContact CG1-CE 4.49Å; I27-M67 HydrophobicContact CG2-CE 4.25Å; I63-M67 HydrophobicContact CG2-CE 4.44Å; I63-M67 HydrophobicContact CG2-CG 4.28Å; I63-M67 HydrophobicContact CG2-SD 3.88Å; I63-M67 WeakPolarHBondContact O-CB 3.42Å; I63-M67 PolarHBondContact O-N 2.81Å; M67-T69 VanDerWaalsContact C-N 3.3Å; M67-T69 HydrophobicContact CB-CG2 3.94Å; M67-T69 PolarHBondContact O-N 2.92Å; M67-F77 HydrophobicContact CE-CD1 3.83Å; M67-F77 HydrophobicContact CE-CD2 4.49Å; M67-F77 HydrophobicContact CE-CE1 3.4Å; M67-F77 HydrophobicContact CE-CE2 4.12Å; M67-F77 HydrophobicContact CE-CG 4.37Å; M67-F77 HydrophobicContact CE-CZ 3.58Å; M67-F77 HydrophobicContact SD-CD1 4.28Å; M67-F77 HydrophobicContact SD-CE1 4.41Å; M67-F77 HydrophobicContact SD-CG 4.41Å
68K95.9Very high95.7Very high162 Ų16261.9 Ų61.970%0.70432%0.323SS*.THydrogen-bonded Turntrans54.747-176.9-54.7-57.7-179.1-162.40112C64 N65C64-K68 VanDerWaalsContact O-CA 3.27Å; C64-K68 WeakPolarHBondContact O-CA 3.35Å; C64-K68 PolarHBondContact O-N 3.47Å; N65-K68 WeakPolarHBondContact O-CD 3.47Å; N65-K68 WeakPolarHBondContact O-CE 3.19Å; N65-K68 PolarHBondContact O-NZ 2.67Å; N65-K68 PolarHBondContact OD1-NZ 3.47Å
69T96.3Very high95.7Very high29 Ų2959.9 Ų59.918%0.17831%0.313CS..  trans-117.2168.3-176.4-179.20000111.6I63 C64 M67 E73 A74I63-T69 HydrophobicContact CG2-CG2 4.41Å; C64-T69 PolarHBondContact O-N 3.35Å; M67-T69 VanDerWaalsContact C-N 3.3Å; M67-T69 HydrophobicContact CB-CG2 3.94Å; M67-T69 PolarHBondContact O-N 2.92Å; T69-E73 VanDerWaalsContact OG1-CB 3.23Å; T69-E73 WeakPolarHBondContact OG1-CB 3.2Å; T69-E73 VanDerWaalsContact OG1-CG 3.27Å; T69-E73 WeakPolarHBondContact OG1-CG 3.41Å; T69-E73 PolarHBondContact OG1-OE2 3.28Å; T69-A74 HydrophobicContact CG2-CB 4Å
70S96.9Very high95.6Very high62 Ų6263.8 Ų63.843%0.43433%0.332SS..  trans-70.3159.7173.775.50000111.6E72 E73 A74S70-E72 VanDerWaalsContact C-N 3.25Å; S70-E72 PolarHBondContact O-N 2.9Å; S70-E73 PolarHBondContact O-N 3.25Å; S70-E73 PolarHBondContact OG-N 3.46Å; S70-A74 WeakPolarHBondContact O-CB 3.42Å; S70-A74 PolarHBondContact O-N 3.47Å
71T95.6Very high95.6Very high76 Ų7663.7 Ų63.747%0.46633%0.332SS..Hα-helixtrans-60.7-35.5176.9-52.60000112.5T60 Q75 N100T60-T71 HydrophobicContact CG2-CG2 3.87Å; T71-Q75 WeakPolarHBondContact O-CB 3.47Å; T71-Q75 PolarHBondContact O-N 3.28Å; T71-N100 WeakPolarHBondContact CG2-ND2 3.4Å
72E94.8Very high95.6Very high156 Ų15661 Ų6173%0.72931%0.309SS*.Hα-helixtrans-66.8-48.3179.5-66.4172-174.300111.5S70 Q75 V76S70-E72 VanDerWaalsContact C-N 3.25Å; S70-E72 PolarHBondContact O-N 2.9Å; E72-Q75 PolarHBondContact O-N 3.3Å; E72-V76 WeakPolarHBondContact O-CG2 3.27Å; E72-V76 PolarHBondContact O-N 3.17Å
73E95.8Very high95.4Very high127 Ų12760.2 Ų60.259%0.59331%0.31SS*.Hα-helixtrans-67.4-38.8178177.5177.4-164.900111.1T69 S70 Q75 V76 F77T69-E73 VanDerWaalsContact OG1-CB 3.23Å; T69-E73 WeakPolarHBondContact OG1-CB 3.2Å; T69-E73 VanDerWaalsContact OG1-CG 3.27Å; T69-E73 WeakPolarHBondContact OG1-CG 3.41Å; T69-E73 PolarHBondContact OG1-OE2 3.28Å; S70-E73 PolarHBondContact O-N 3.25Å; S70-E73 PolarHBondContact OG-N 3.46Å; E73-Q75 VanDerWaalsContact C-N 3.3Å; E73-Q75 PolarHBondContact O-N 2.95Å; E73-V76 PolarHBondContact O-N 3.39Å; E73-F77 PolarHBondContact O-N 3.47Å
74A96.3Very high95.3Very high0 Ų062.4 Ų62.40%032%0.319CS..Hα-helixtrans-60.4-38.6171.900000112.7T60 I63 C64 T69 S70 F77 G78T60-A74 HydrophobicContact CG2-CB 3.98Å; I63-A74 HydrophobicContact CB-CB 4.01Å; I63-A74 HydrophobicContact CG2-CB 3.65Å; C64-A74 WeakPolarHBondContact SG-CB 3.44Å; T69-A74 HydrophobicContact CG2-CB 4Å; S70-A74 WeakPolarHBondContact O-CB 3.42Å; S70-A74 PolarHBondContact O-N 3.47Å; A74-F77 PolarHBondContact O-N 3.5Å; A74-G78 PolarHBondContact O-N 2.93Å
75Q94.9Very high95.3Very high68 Ų6861.4 Ų61.432%0.31831%0.313SS..Hα-helixtrans-67.6-39.5177-176.6176.4-4.100111.9T71 E72 E73 G78 T79 M98T71-Q75 WeakPolarHBondContact O-CB 3.47Å; T71-Q75 PolarHBondContact O-N 3.28Å; E72-Q75 PolarHBondContact O-N 3.3Å; E73-Q75 VanDerWaalsContact C-N 3.3Å; E73-Q75 PolarHBondContact O-N 2.95Å; Q75-G78 PolarHBondContact O-N 3.02Å; Q75-T79 WeakPolarHBondContact O-CB 2.95Å; Q75-T79 PolarHBondContact O-N 3.46Å; Q75-T79 PolarHBondContact O-OG1 3.39Å; Q75-M98 HydrophobicContact CB-CE 4.4Å; Q75-M98 HydrophobicContact CG-CE 4.22Å; Q75-M98 PolarHBondContact NE2-O 2.89Å
76V95.1Very high95.3Very high94 Ų9456.2 Ų56.257%0.5729%0.285SS*.Hα-helixtrans-62.3-46.4173.4173.70000110.1E72 E73 G78 T79 M80E72-V76 WeakPolarHBondContact O-CG2 3.27Å; E72-V76 PolarHBondContact O-N 3.17Å; E73-V76 PolarHBondContact O-N 3.39Å; V76-G78 PolarHBondContact O-N 3.25Å; V76-T79 WeakPolarHBondContact O-CB 3.02Å; V76-T79 PolarHBondContact O-N 3.17Å; V76-M80 WeakPolarHBondContact O-CG 3.36Å; V76-M80 PolarHBondContact O-N 3.42Å
77F96.1Very high95.3Very high35 Ų3550.8 Ų50.815%0.15426%0.261CS..Hα-helixtrans-61.5-45.4177.3-175.2-97.4000112.3L24 I27 I63 M67 E73 A74 T79 M80 L81L24-F77 HydrophobicContact CD2-CE2 3.9Å; L24-F77 HydrophobicContact CD2-CZ 3.77Å; I27-F77 HydrophobicContact CD1-CE1 4.49Å; I27-F77 HydrophobicContact CD1-CE2 4.45Å; I27-F77 HydrophobicContact CD1-CZ 3.71Å; I27-F77 HydrophobicContact CG2-CE1 4.1Å; I27-F77 HydrophobicContact CG2-CZ 4.25Å; I63-F77 HydrophobicContact CD1-CD1 3.95Å; I63-F77 HydrophobicContact CG1-CD1 4.25Å; I63-F77 HydrophobicContact CG2-CB 4.5Å; I63-F77 HydrophobicContact CG2-CD1 4.01Å; M67-F77 HydrophobicContact CE-CD1 3.83Å; M67-F77 HydrophobicContact CE-CD2 4.49Å; M67-F77 HydrophobicContact CE-CE1 3.4Å; M67-F77 HydrophobicContact CE-CE2 4.12Å; M67-F77 HydrophobicContact CE-CG 4.37Å; M67-F77 HydrophobicContact CE-CZ 3.58Å; M67-F77 HydrophobicContact SD-CD1 4.28Å; M67-F77 HydrophobicContact SD-CE1 4.41Å; M67-F77 HydrophobicContact SD-CG 4.41Å; E73-F77 PolarHBondContact O-N 3.47Å; A74-F77 PolarHBondContact O-N 3.5Å; F77-T79 VanDerWaalsContact C-N 3.3Å; F77-T79 PolarHBondContact O-N 3Å; F77-M80 WeakPolarHBondContact O-CA 3.42Å; F77-M80 VanDerWaalsContact O-CB 3.32Å; F77-M80 WeakPolarHBondContact O-CB 3.4Å; F77-M80 PolarHBondContact O-N 2.88Å; F77-L81 HydrophobicContact CD1-CD1 4.29Å; F77-L81 HydrophobicContact CD1-CG 4.43Å; F77-L81 HydrophobicContact CE1-CD1 3.88Å; F77-L81 HydrophobicContact CE1-CD2 4.2Å; F77-L81 HydrophobicContact CE1-CG 4.02Å; F77-L81 HydrophobicContact CZ-CD2 4.28Å; F77-L81 PolarHBondContact O-N 3.44Å
78G95.8Very high95.3Very high0 Ų047.7 Ų47.70%025%0.246CC..Hα-helixtrans-63.3-35.6175.100000112.8A74 Q75 V76 M80 L81 V82A74-G78 PolarHBondContact O-N 2.93Å; Q75-G78 PolarHBondContact O-N 3.02Å; V76-G78 PolarHBondContact O-N 3.25Å; G78-M80 VanDerWaalsContact C-N 3.3Å; G78-M80 PolarHBondContact O-N 3.25Å; G78-L81 WeakPolarHBondContact O-CB 3.36Å; G78-L81 PolarHBondContact O-N 2.87Å; G78-V82 PolarHBondContact O-N 3.05Å; G78-V82 VanDerWaalsContact O-N 3.08Å
79T94.9Very high95.2Very high31 Ų3140.7 Ų40.719%0.1922%0.217CC..Hα-helixtrans-61.8-38.3170.8-67.10000111.7Q75 V76 F77 V82 A83 V97 M98Q75-T79 WeakPolarHBondContact O-CB 2.95Å; Q75-T79 PolarHBondContact O-N 3.46Å; Q75-T79 PolarHBondContact O-OG1 3.39Å; V76-T79 WeakPolarHBondContact O-CB 3.02Å; V76-T79 PolarHBondContact O-N 3.17Å; F77-T79 VanDerWaalsContact C-N 3.3Å; F77-T79 PolarHBondContact O-N 3Å; T79-V82 PolarHBondContact O-N 3.47Å; T79-A83 WeakPolarHBondContact O-CB 3.31Å; T79-A83 PolarHBondContact O-N 3.49Å; T79-V97 HydrophobicContact CG2-CB 4.36Å; T79-V97 HydrophobicContact CG2-CG1 4.22Å; T79-V97 HydrophobicContact CG2-CG2 4.35Å; T79-M98 PolarHBondContact OG1-N 2.97Å; T79-M98 VanDerWaalsContact OG1-N 3.12Å
80M94.1Very high94.9Very high81 Ų8141 Ų4140%0.39922%0.217SC..Hα-helixtrans-62.1-44172.5-65175.366.800111.5V76 F77 G78 V82 A83 Y84V76-M80 WeakPolarHBondContact O-CG 3.36Å; V76-M80 PolarHBondContact O-N 3.42Å; F77-M80 WeakPolarHBondContact O-CA 3.42Å; F77-M80 VanDerWaalsContact O-CB 3.32Å; F77-M80 WeakPolarHBondContact O-CB 3.4Å; F77-M80 PolarHBondContact O-N 2.88Å; G78-M80 VanDerWaalsContact C-N 3.3Å; G78-M80 PolarHBondContact O-N 3.25Å; M80-V82 PolarHBondContact O-N 2.85Å; M80-A83 PolarHBondContact O-N 3.42Å; M80-A83 VanDerWaalsContact O-N 3.12Å; M80-Y84 HydrophobicContact CB-CD2 4.4Å; M80-Y84 HydrophobicContact CE-CE2 4.18Å; M80-Y84 VanDerWaalsContact O-CD2 3.26Å; M80-Y84 WeakPolarHBondContact O-CD2 3.25Å; M80-Y84 PolarHBondContact O-N 3.21Å
81L96Very high94.5Very high0 Ų043.5 Ų43.50%022%0.222CC..Hα-helixtrans-57.8-38.3176.2-64.8177000112.2L24 V28 M31 F77 G78 G85 Y86 I87L24-L81 HydrophobicContact CD2-CD2 3.94Å; V28-L81 HydrophobicContact CG2-CD2 3.91Å; M31-L81 HydrophobicContact CE-CD1 4.17Å; M31-L81 HydrophobicContact SD-CD1 3.72Å; F77-L81 HydrophobicContact CD1-CD1 4.29Å; F77-L81 HydrophobicContact CD1-CG 4.43Å; F77-L81 HydrophobicContact CE1-CD1 3.88Å; F77-L81 HydrophobicContact CE1-CD2 4.2Å; F77-L81 HydrophobicContact CE1-CG 4.02Å; F77-L81 HydrophobicContact CZ-CD2 4.28Å; F77-L81 PolarHBondContact O-N 3.44Å; G78-L81 WeakPolarHBondContact O-CB 3.36Å; G78-L81 PolarHBondContact O-N 2.87Å; L81-G85 PolarHBondContact O-N 3.26Å; L81-Y86 HydrophobicContact CD2-CD2 4.49Å; L81-Y86 PolarHBondContact O-N 3.3Å; L81-I87 HydrophobicContact CB-CD1 4.09Å; L81-I87 HydrophobicContact CB-CG1 4.34Å; L81-I87 HydrophobicContact CD1-CD1 3.86Å; L81-I87 PolarHBondContact O-N 3.18Å
82V94.6Very high93.9Very high2 Ų246.3 Ų46.31%0.01223%0.234CC..Hα-helixtrans-68-46.4174.4176.90000111.6G78 T79 M80 Y84 G85 I87 L96 M98 Y105G78-V82 PolarHBondContact O-N 3.05Å; G78-V82 VanDerWaalsContact O-N 3.08Å; T79-V82 PolarHBondContact O-N 3.47Å; M80-V82 PolarHBondContact O-N 2.85Å; V82-Y84 VanDerWaalsContact C-N 3.35Å; V82-Y84 PolarHBondContact O-N 3.33Å; V82-G85 PolarHBondContact O-N 2.81Å; V82-I87 VanDerWaalsContact CA-O 3.31Å; V82-I87 WeakPolarHBondContact CA-O 3.45Å; V82-I87 HydrophobicContact CG2-CB 4.31Å; V82-I87 HydrophobicContact CG2-CG2 4.34Å; V82-L96 HydrophobicContact CG1-CB 4.34Å; V82-L96 HydrophobicContact CG1-CD2 4.35Å; V82-M98 HydrophobicContact CG2-CB 4.16Å; V82-Y105 HydrophobicContact CG2-CD1 4.15Å; V82-Y105 HydrophobicContact CG2-CE1 4.05Å
83A93.1Very high93.3Very high19 Ų1941.7 Ų41.716%0.15721%0.213CC..Hα-helixtrans-66.1-33.8-177.600000113.3T79 M80 G85 V194 A204T79-A83 WeakPolarHBondContact O-CB 3.31Å; T79-A83 PolarHBondContact O-N 3.49Å; M80-A83 PolarHBondContact O-N 3.42Å; M80-A83 VanDerWaalsContact O-N 3.12Å; A83-G85 VanDerWaalsContact C-N 3.29Å; A83-V194 WeakPolarHBondContact O-CG1 3.47Å; A83-A204 HydrophobicContact CB-CB 3.78Å; A83-A204 WeakPolarHBondContact O-CB 3.42Å
84Y94.4Very high92.6Very high47 Ų4742.2 Ų42.218%0.18421%0.209CC..THydrogen-bonded Turntrans-79.3-9.8172.6-80.4-78.4000113.5L21 L24 M80 V82 A204 L205L21-Y84 HydrophobicContact CD2-CD1 3.8Å; L21-Y84 HydrophobicContact CD2-CE1 3.89Å; L24-Y84 HydrophobicContact CD1-CD2 3.85Å; L24-Y84 HydrophobicContact CD1-CE2 4.21Å; L24-Y84 HydrophobicContact CD1-CG 4.09Å; M80-Y84 HydrophobicContact CB-CD2 4.4Å; M80-Y84 HydrophobicContact CE-CE2 4.18Å; M80-Y84 VanDerWaalsContact O-CD2 3.26Å; M80-Y84 WeakPolarHBondContact O-CD2 3.25Å; M80-Y84 PolarHBondContact O-N 3.21Å; V82-Y84 VanDerWaalsContact C-N 3.35Å; V82-Y84 PolarHBondContact O-N 3.33Å; Y84-A204 HydrophobicContact CD1-CB 4.45Å; Y84-A204 HydrophobicContact CD2-CB 4.41Å; Y84-A204 HydrophobicContact CE1-CB 4.46Å; Y84-A204 WeakPolarHBondContact CE1-O 3.47Å; Y84-A204 HydrophobicContact CE2-CB 4.4Å; Y84-A204 HydrophobicContact CG-CB 4.42Å; Y84-L205 HydrophobicContact CD1-CD2 3.78Å; Y84-L205 HydrophobicContact CE1-CD2 4.17Å
85G94.7Very high92Very high4 Ų447.6 Ų47.64%0.04123%0.232CC..THydrogen-bonded Turntrans84.214.6176.500000115.7L81 V82 A83 I87 Q108L81-G85 PolarHBondContact O-N 3.26Å; V82-G85 PolarHBondContact O-N 2.81Å; A83-G85 VanDerWaalsContact C-N 3.29Å; G85-I87 VanDerWaalsContact C-N 3.33Å; G85-Q108 WeakPolarHBondContact O-CB 3.41Å; G85-Q108 VanDerWaalsContact O-CG 3.29Å; G85-Q108 WeakPolarHBondContact O-CG 3.39Å
86Y96.5Very high91.7Very high0 Ų045.6 Ų45.60%022%0.224CC..SBendtrans-72.5-30.6173.5-73.6-80.5000112.5L21 L24 D25 V28 L81 Q108 W113 P114L21-Y86 PolarHBondContact O-OH 3.38Å; L24-Y86 HydrophobicContact CB-CD2 4.26Å; L24-Y86 HydrophobicContact CB-CE2 3.61Å; L24-Y86 HydrophobicContact CD1-CD2 4.36Å; L24-Y86 HydrophobicContact CD1-CE2 3.76Å; L24-Y86 HydrophobicContact CG-CE2 4.34Å; D25-Y86 WeakPolarHBondContact OD1-CE1 3.33Å; D25-Y86 VanDerWaalsContact OD1-CZ 3.22Å; D25-Y86 PolarHBondContact OD1-OH 2.9Å; V28-Y86 HydrophobicContact CB-CD1 4.24Å; V28-Y86 HydrophobicContact CG1-CD1 4.33Å; V28-Y86 HydrophobicContact CG2-CD1 3.73Å; V28-Y86 HydrophobicContact CG2-CG 3.82Å; L81-Y86 HydrophobicContact CD2-CD2 4.49Å; L81-Y86 PolarHBondContact O-N 3.3Å; Y86-Q108 WeakPolarHBondContact O-CB 3.06Å; Y86-Q108 PolarHBondContact O-N 3.46Å; Y86-W113 AromaticContact CD1-CD1 3.98Å; Y86-W113 AromaticContact CD1-CD2 3.81Å; Y86-W113 HydrophobicContact CD1-CD2 3.81Å; Y86-W113 AromaticContact CD1-CE2 3.81Å; Y86-W113 HydrophobicContact CD1-CE3 4.38Å; Y86-W113 AromaticContact CD1-CG 3.94Å; Y86-W113 HydrophobicContact CD1-CG 3.94Å; Y86-W113 HydrophobicContact CD1-CZ2 4.38Å; Y86-W113 AromaticContact CD1-NE1 3.91Å; Y86-W113 HydrophobicContact CE1-CB 4.17Å; Y86-W113 AromaticContact CE1-CD2 3.57Å; Y86-W113 HydrophobicContact CE1-CD2 3.57Å; Y86-W113 AromaticContact CE1-CE3 3.79Å; Y86-W113 HydrophobicContact CE1-CE3 3.79Å; Y86-W113 AromaticContact CE1-CG 3.75Å; Y86-W113 HydrophobicContact CE1-CG 3.75Å; Y86-W113 HydrophobicContact CE1-CZ3 4.42Å; Y86-P114 HydrophobicContact CE2-CG 3.7Å
87I95.6Very high91.4Very high1 Ų144.2 Ų44.21%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-128.9141.5175.6-59.8177.3000106.7M31 I59 L81 V82 G85 Y105 R106 F107M31-I87 HydrophobicContact CE-CD1 3.94Å; I59-I87 HydrophobicContact CD1-CD1 4.28Å; I59-I87 HydrophobicContact CD1-CG2 4.25Å; L81-I87 HydrophobicContact CB-CD1 4.09Å; L81-I87 HydrophobicContact CB-CG1 4.34Å; L81-I87 HydrophobicContact CD1-CD1 3.86Å; L81-I87 PolarHBondContact O-N 3.18Å; V82-I87 VanDerWaalsContact CA-O 3.31Å; V82-I87 WeakPolarHBondContact CA-O 3.45Å; V82-I87 HydrophobicContact CG2-CB 4.31Å; V82-I87 HydrophobicContact CG2-CG2 4.34Å; G85-I87 VanDerWaalsContact C-N 3.33Å; I87-Y105 HydrophobicContact CG2-CD1 3.99Å; I87-Y105 HydrophobicContact CG2-CG 4.07Å; I87-R106 CarbonylContact C-O 3.49Å; I87-R106 WeakPolarHBondContact CA-O 3.43Å; I87-F107 HydrophobicContact CD1-CD1 4.21Å; I87-F107 HydrophobicContact CD1-CE1 3.88Å; I87-F107 HydrophobicContact CG1-CD1 3.8Å; I87-F107 HydrophobicContact CG1-CE1 4Å
88Y94.9Very high91.2Very high8 Ų842.6 Ų42.63%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-131.4141.4177.961.5-90.1000111.8L90 Y105 R106 F107 Q108 C186 Q187 A190Y88-L90 HydrophobicContact CD2-CD2 4.06Å; Y88-L90 HydrophobicContact CE2-CD2 3.6Å; Y88-Y105 CarbonylContact O-C 3.46Å; Y88-Y105 VanDerWaalsContact O-CA 3.26Å; Y88-Y105 WeakPolarHBondContact O-CA 3.37Å; Y88-R106 WeakPolarHBondContact CD1-O 3.47Å; Y88-R106 HydrophobicContact CE1-CB 3.92Å; Y88-R106 HydrophobicContact CE2-CB 3.95Å; Y88-R106 PolarHBondContact N-O 2.89Å; Y88-R106 PolarHBondContact O-N 3.45Å; Y88-R106 WeakPolarHBondContact OH-CB 3.47Å; Y88-R106 WeakPolarHBondContact OH-CD 3.29Å; Y88-F107 WeakPolarHBondContact CE1-O 3.27Å; Y88-Q108 HydrophobicContact CD1-CB 4.28Å; Y88-Q108 HydrophobicContact CE1-CB 4.5Å; Y88-C186 HydrophobicContact CE2-CB 3.89Å; Y88-Q187 HydrophobicContact CE1-CG 3.84Å; Y88-Q187 VanDerWaalsContact OH-CG 3.32Å; Y88-Q187 WeakPolarHBondContact OH-CG 3.38Å; Y88-A190 HydrophobicContact CD1-CB 3.97Å; Y88-A190 HydrophobicContact CD2-CB 4.01Å; Y88-A190 HydrophobicContact CG-CB 3.52Å
89P93.5Very high91Very high14 Ų1444 Ų449%0.09122%0.218CC..EExtended strand (participates in β ladder)trans-74.4141.3178.631.3-35.2000110.6Q91 Y105P89-Q91 WeakPolarHBondContact CB-O 3.45Å; P89-Y105 HydrophobicContact CB-CD1 3.85Å; P89-Y105 HydrophobicContact CB-CE1 3.68Å
90L90.4Very high90.8Very high36 Ų3645.8 Ų45.819%0.18823%0.226CC..SBendtrans-84.2-17.5177.7-56.8-172.7000112.6Q43 A53 Y88 L104 R106Q43-L90 VanDerWaalsContact OE1-CD1 3.28Å; A53-L90 HydrophobicContact CB-CD1 4.34Å; Y88-L90 HydrophobicContact CD2-CD2 4.06Å; Y88-L90 HydrophobicContact CE2-CD2 3.6Å; L90-L104 HydrophobicContact CB-CB 4.24Å; L90-L104 HydrophobicContact CD1-CB 3.82Å; L90-L104 HydrophobicContact CG-CB 4.19Å; L90-L104 PolarHBondContact N-O 3.31Å; L90-R106 HydrophobicContact CD1-CG 4.16Å; L90-R106 HydrophobicContact CD2-CB 4.18Å; L90-R106 HydrophobicContact CD2-CG 3.95Å; L90-R106 HydrophobicContact CG-CG 4.45Å
91Q86.7Confident90.6Very high115 Ų11545.1 Ų45.154%0.53722%0.224SC..SBendtrans-120.4145.5176.5-63169-1.500108.5P89 H93P89-Q91 WeakPolarHBondContact CB-O 3.45Å; Q91-H93 PolarHBondContact O-N 3.27Å
92N83.6Confident90.4Very high134 Ų13450.1 Ų50.172%0.71726%0.259SS*.  trans51.752.3178.4-63.5-23.2000114.2R94 K95N92-R94 PolarHBondContact O-N 2.96Å; N92-K95 PolarHBondContact O-N 2.78Å
93H82.1Confident90.3Very high60 Ų6051.3 Ų51.328%0.27827%0.268SS..THydrogen-bonded Turntrans-55.3-14.1-174.957.172.5000116.3Q91 E141 I193Q91-H93 PolarHBondContact O-N 3.27Å; H93-E141 IonicContact CE1-OE1 3.61Å; H93-I193 HydrophobicContact CB-CD1 3.84Å; H93-I193 VanDerWaalsContact ND1-CD1 3.27Å; H93-I193 WeakPolarHBondContact ND1-CD1 3.49Å; H93-I193 WeakPolarHBondContact O-CD1 3.38Å
94R81.3Confident90.3Very high138 Ų13852 Ų5252%0.52127%0.269SS..THydrogen-bonded Turntrans-76.7-23.3174.5-60.3-174.3-173.4165.87.5113.3N92 L96 E141N92-R94 PolarHBondContact O-N 2.96Å; R94-L96 PolarHBondContact O-N 3.33Å; R94-E141 IonicContact CZ-OE1 2.71Å; R94-E141 IonicContact CZ-OE2 3.44Å; R94-E141 VanDerWaalsContact CZ-OE2 3.29Å; R94-E141 IonicContact NE-OE1 3.32Å; R94-E141 PolarHBondContact NE-OE1 3.47Å; R94-E141 IonicContact NE-OE2 3.27Å; R94-E141 PolarHBondContact NE-OE2 3.4Å; R94-E141 VanDerWaalsContact NE-OE2 3.12Å; R94-E141 IonicContact NH2-OE1 2.71Å; R94-E141 PolarHBondContact NH2-OE1 2.99Å; R94-E141 IonicContact NH2-OE2 2.77Å; R94-E141 PolarHBondContact NH2-OE2 3.34Å
95K84.4Confident90.3Very high112 Ų11250 Ų5049%0.48726%0.261SS..  trans-89.196.3-179.2-172.7179179.9-174.40108.8N92 V97N92-K95 PolarHBondContact O-N 2.78Å; K95-V97 HydrophobicContact CG-CB 4.03Å; K95-V97 HydrophobicContact CG-CG2 4.42Å; K95-V97 PolarHBondContact O-N 2.96Å
96L87.8Confident90.3Very high27 Ų2750.4 Ų50.414%0.14126%0.261CS..  trans-80.246.3176.1-60.5-178.5000112.1V82 R94 I193 V194V82-L96 HydrophobicContact CG1-CB 4.34Å; V82-L96 HydrophobicContact CG1-CD2 4.35Å; R94-L96 PolarHBondContact O-N 3.33Å; L96-I193 HydrophobicContact CD1-CG2 4.22Å; L96-I193 HydrophobicContact CD2-CG2 3.94Å; L96-I193 HydrophobicContact CG-CG2 4.24Å; L96-V194 HydrophobicContact CD1-CG2 4.19Å; L96-V194 HydrophobicContact CD2-CG2 4.35Å
97V89.7Confident90.3Very high65 Ų6551.9 Ų51.939%0.39427%0.268SS..SBendtrans-130.6133.8-179.1175.20000108.3T79 K95T79-V97 HydrophobicContact CG2-CB 4.36Å; T79-V97 HydrophobicContact CG2-CG1 4.22Å; T79-V97 HydrophobicContact CG2-CG2 4.35Å; K95-V97 HydrophobicContact CG-CB 4.03Å; K95-V97 HydrophobicContact CG-CG2 4.42Å; K95-V97 PolarHBondContact O-N 2.96Å
98M91.5Very high90.3Very high1 Ų152 Ų521%0.00527%0.268CS..  trans-81.2131.9178.2-168.6-178.671.100110.7I59 T60 Q75 T79 V82 Y105I59-M98 HydrophobicContact CB-SD 4.17Å; I59-M98 HydrophobicContact CD1-SD 4.49Å; I59-M98 HydrophobicContact CG2-SD 3.67Å; T60-M98 WeakPolarHBondContact OG1-CE 3.33Å; Q75-M98 HydrophobicContact CB-CE 4.4Å; Q75-M98 HydrophobicContact CG-CE 4.22Å; Q75-M98 PolarHBondContact NE2-O 2.89Å; T79-M98 PolarHBondContact OG1-N 2.97Å; T79-M98 VanDerWaalsContact OG1-N 3.12Å; V82-M98 HydrophobicContact CG2-CB 4.16Å; M98-Y105 HydrophobicContact CG-CE1 4.35Å; M98-Y105 HydrophobicContact CG-CE2 4.41Å
99C91.9Very high90.3Very high29 Ų2953.8 Ų53.820%0.19628%0.28CS..  trans-98.5129.7170.6-640000109.6G56 D101 Y105G56-C99 WeakPolarHBondContact CA-O 3.33Å; C99-D101 WeakPolarHBondContact CB-OD1 3.32Å; C99-D101 WeakPolarHBondContact CB-OD2 3.36Å; C99-D101 PolarHBondContact O-N 3.2Å; C99-Y105 PolarHBondContact N-OH 3.26Å
100N89.5Confident90.4Very high68 Ų6857 Ų5736%0.36430%0.301SS..SBendtrans-82.663.8175.4-175.920.6000110.5A57 T71A57-N100 WeakPolarHBondContact CA-OD1 3.25Å; T71-N100 WeakPolarHBondContact CG2-ND2 3.4Å
101D90.6Very high90.4Very high67 Ų6764.6 Ų64.636%0.35833%0.329SS..SBendtrans-144.3-161.2-175.8637000110.9G56 A57 C99 S103G56-D101 PolarHBondContact N-O 3.11Å; A57-D101 PolarHBondContact N-O 3Å; C99-D101 WeakPolarHBondContact CB-OD1 3.32Å; C99-D101 WeakPolarHBondContact CB-OD2 3.36Å; C99-D101 PolarHBondContact O-N 3.2Å; D101-S103 VanDerWaalsContact CG-OG 3.27Å; D101-S103 PolarHBondContact O-N 2.74Å; D101-S103 WeakPolarHBondContact OD1-CA 3.4Å; D101-S103 WeakPolarHBondContact OD1-CB 3.23Å; D101-S103 PolarHBondContact OD1-N 2.78Å; D101-S103 PolarHBondContact OD1-OG 3.18Å; D101-S103 PolarHBondContact OD2-OG 3.44Å; D101-S103 VanDerWaalsContact OD2-OG 3.14Å
102S90.9Very high90.8Very high105 Ų10560 Ų6073%0.73431%0.307SS*.SBendtrans-79.45.4175.6570000114L104S102-L104 PolarHBondContact O-N 3.32Å
103S92.4Very high91.3Very high27 Ų2755.4 Ų55.419%0.18928%0.279CS..  trans-57.2136.7174.9-64.40000110.3T55 G56 D101 Y105T55-S103 WeakPolarHBondContact CA-O 3.29Å; G56-S103 PolarHBondContact N-O 2.98Å; D101-S103 VanDerWaalsContact CG-OG 3.27Å; D101-S103 PolarHBondContact O-N 2.74Å; D101-S103 WeakPolarHBondContact OD1-CA 3.4Å; D101-S103 WeakPolarHBondContact OD1-CB 3.23Å; D101-S103 PolarHBondContact OD1-N 2.78Å; D101-S103 PolarHBondContact OD1-OG 3.18Å; D101-S103 PolarHBondContact OD2-OG 3.44Å; D101-S103 VanDerWaalsContact OD2-OG 3.14Å; S103-Y105 VanDerWaalsContact O-CD2 3.28Å; S103-Y105 WeakPolarHBondContact O-CD2 3.34Å; S103-Y105 VanDerWaalsContact O-CE2 3.26Å; S103-Y105 WeakPolarHBondContact O-CE2 3.44Å
104L93.2Very high91.8Very high35 Ų3553.3 Ų53.318%0.18327%0.271CS..EExtended strand (participates in β ladder)trans-93.3137.7-175.3-61177.3000111.6Q43 A53 I54 T55 L90 S102Q43-L104 HydrophobicContact CG-CD1 4.04Å; A53-L104 HydrophobicContact CB-CD2 4.38Å; I54-L104 WeakPolarHBondContact O-CA 3.4Å; T55-L104 HydrophobicContact CG2-CD2 4.07Å; L90-L104 HydrophobicContact CB-CB 4.24Å; L90-L104 HydrophobicContact CD1-CB 3.82Å; L90-L104 HydrophobicContact CG-CB 4.19Å; L90-L104 PolarHBondContact N-O 3.31Å; S102-L104 PolarHBondContact O-N 3.32Å
105Y95.3Very high92.1Very high4 Ų449.1 Ų49.12%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-129.6166.6176-57.2-99.2000110.2I54 I59 V82 I87 Y88 P89 M98 C99 S103I54-Y105 VanDerWaalsContact CG1-O 3.31Å; I54-Y105 WeakPolarHBondContact CG1-O 3.5Å; I54-Y105 PolarHBondContact N-O 3.43Å; I54-Y105 PolarHBondContact O-N 2.9Å; I59-Y105 HydrophobicContact CD1-CD2 4.12Å; I59-Y105 HydrophobicContact CD1-CG 4.19Å; V82-Y105 HydrophobicContact CG2-CD1 4.15Å; V82-Y105 HydrophobicContact CG2-CE1 4.05Å; I87-Y105 HydrophobicContact CG2-CD1 3.99Å; I87-Y105 HydrophobicContact CG2-CG 4.07Å; Y88-Y105 CarbonylContact O-C 3.46Å; Y88-Y105 VanDerWaalsContact O-CA 3.26Å; Y88-Y105 WeakPolarHBondContact O-CA 3.37Å; P89-Y105 HydrophobicContact CB-CD1 3.85Å; P89-Y105 HydrophobicContact CB-CE1 3.68Å; M98-Y105 HydrophobicContact CG-CE1 4.35Å; M98-Y105 HydrophobicContact CG-CE2 4.41Å; C99-Y105 PolarHBondContact N-OH 3.26Å; S103-Y105 VanDerWaalsContact O-CD2 3.28Å; S103-Y105 WeakPolarHBondContact O-CD2 3.34Å; S103-Y105 VanDerWaalsContact O-CE2 3.26Å; S103-Y105 WeakPolarHBondContact O-CE2 3.44Å
106R95.2Very high92Very high12 Ų1245.6 Ų45.65%0.04525%0.248CC..EExtended strand (participates in β ladder)trans-137.7153.2168-81.8-175.1-176.2114.512.3110.6I87 Y88 L90I87-R106 CarbonylContact C-O 3.49Å; I87-R106 WeakPolarHBondContact CA-O 3.43Å; Y88-R106 WeakPolarHBondContact CD1-O 3.47Å; Y88-R106 HydrophobicContact CE1-CB 3.92Å; Y88-R106 HydrophobicContact CE2-CB 3.95Å; Y88-R106 PolarHBondContact N-O 2.89Å; Y88-R106 PolarHBondContact O-N 3.45Å; Y88-R106 WeakPolarHBondContact OH-CB 3.47Å; Y88-R106 WeakPolarHBondContact OH-CD 3.29Å; L90-R106 HydrophobicContact CD1-CG 4.16Å; L90-R106 HydrophobicContact CD2-CB 4.18Å; L90-R106 HydrophobicContact CD2-CG 3.95Å; L90-R106 HydrophobicContact CG-CG 4.45Å
107F96.3Very high91.6Very high32 Ų3249.9 Ų49.914%0.1427%0.267CS..EExtended strand (participates in β ladder)trans-70.5141.2168.4-64.6-72.7000111.2V28 M31 Q32 V38 I54 I87 Y88V28-F107 HydrophobicContact CG1-CD1 4.01Å; V28-F107 HydrophobicContact CG1-CE1 4.39Å; M31-F107 HydrophobicContact CB-CE1 3.85Å; M31-F107 HydrophobicContact CB-CZ 3.76Å; M31-F107 HydrophobicContact CE-CE1 4.19Å; M31-F107 HydrophobicContact CE-CZ 4.37Å; M31-F107 HydrophobicContact SD-CE1 4.47Å; Q32-F107 HydrophobicContact CG-CB 4.48Å; Q32-F107 HydrophobicContact CG-CD1 4.05Å; Q32-F107 HydrophobicContact CG-CD2 3.7Å; Q32-F107 HydrophobicContact CG-CE1 4.17Å; Q32-F107 HydrophobicContact CG-CE2 3.81Å; Q32-F107 HydrophobicContact CG-CG 3.83Å; Q32-F107 HydrophobicContact CG-CZ 4.06Å; Q32-F107 VanDerWaalsContact NE2-CG 3.33Å; V38-F107 HydrophobicContact CB-CZ 4.35Å; V38-F107 HydrophobicContact CG2-CZ 4.31Å; I54-F107 HydrophobicContact CD1-CD1 4.47Å; I54-F107 HydrophobicContact CD1-CD2 4Å; I54-F107 HydrophobicContact CD1-CE1 4.1Å; I54-F107 HydrophobicContact CD1-CE2 3.61Å; I54-F107 HydrophobicContact CD1-CG 4.42Å; I54-F107 HydrophobicContact CD1-CZ 3.64Å; I54-F107 HydrophobicContact CG2-CE2 4.36Å; I87-F107 HydrophobicContact CD1-CD1 4.21Å; I87-F107 HydrophobicContact CD1-CE1 3.88Å; I87-F107 HydrophobicContact CG1-CD1 3.8Å; I87-F107 HydrophobicContact CG1-CE1 4Å; Y88-F107 WeakPolarHBondContact CE1-O 3.27Å
108Q96.1Very high91Very high2 Ų255.8 Ų55.81%0.00928%0.283CS..PPolyproline II helixtrans-77.6147.5171.3-174.560.2-78.700110.6G85 Y86 Y88 F112 W113 Q187G85-Q108 WeakPolarHBondContact O-CB 3.41Å; G85-Q108 VanDerWaalsContact O-CG 3.29Å; G85-Q108 WeakPolarHBondContact O-CG 3.39Å; Y86-Q108 WeakPolarHBondContact O-CB 3.06Å; Y86-Q108 PolarHBondContact O-N 3.46Å; Y88-Q108 HydrophobicContact CD1-CB 4.28Å; Y88-Q108 HydrophobicContact CE1-CB 4.5Å; Q108-F112 VanDerWaalsContact CD-CB 3.48Å; Q108-F112 HydrophobicContact CG-CB 3.63Å; Q108-W113 PolarHBondContact O-NE1 3.14Å; Q108-Q187 PolarHBondContact NE2-O 3.31Å; Q108-Q187 VanDerWaalsContact OE1-CB 3.3Å
109T94.3Very high90.6Very high47 Ų4759.2 Ų59.229%0.28830%0.304SS..PPolyproline II helixtrans-71.9143.5173.7176.60000111.1Y111 F112 W113T109-Y111 PolarHBondContact O-N 3.18Å; T109-F112 HydrophobicContact CG2-CB 4.36Å; T109-F112 HydrophobicContact CG2-CD2 3.42Å; T109-F112 VanDerWaalsContact CG2-CD2 3.42Å; T109-F112 HydrophobicContact CG2-CE2 4.06Å; T109-F112 HydrophobicContact CG2-CG 4.2Å; T109-F112 PolarHBondContact O-N 2.89Å; T109-W113 VanDerWaalsContact O-CD1 3.22Å
110P94.4Very high90.4Very high82 Ų8258.7 Ų58.753%0.53230%0.3SS..G310 helixtrans-52.5-27.6178.8-29.836.4000115.1F112 W113P110-F112 PolarHBondContact O-N 2.78Å; P110-W113 HydrophobicContact CB-CD2 4.24Å; P110-W113 HydrophobicContact CB-CE3 4.44Å; P110-W113 HydrophobicContact CG-CH2 4.36Å; P110-W113 HydrophobicContact CG-CZ2 4.07Å; P110-W113 WeakPolarHBondContact O-CB 3.23Å; P110-W113 PolarHBondContact O-N 3.39Å; P110-W113 VanDerWaalsContact O-N 3.17Å
111Y92.2Very high90.5Very high195 Ų19560.2 Ų60.277%0.76531%0.305SS*.G310 helixtrans-58.3-32.6174.6179.9-97.6000113.1T109T109-Y111 PolarHBondContact O-N 3.18Å
112F94.7Very high90.6Very high17 Ų1760 Ų608%0.07530%0.304CS..G310 helixtrans-101.210.5-179.5-70.5-48.4000113.2Q108 T109 P110 Q187 E188 F191Q108-F112 VanDerWaalsContact CD-CB 3.48Å; Q108-F112 HydrophobicContact CG-CB 3.63Å; T109-F112 HydrophobicContact CG2-CB 4.36Å; T109-F112 HydrophobicContact CG2-CD2 3.42Å; T109-F112 VanDerWaalsContact CG2-CD2 3.42Å; T109-F112 HydrophobicContact CG2-CE2 4.06Å; T109-F112 HydrophobicContact CG2-CG 4.2Å; T109-F112 PolarHBondContact O-N 2.89Å; P110-F112 PolarHBondContact O-N 2.78Å; F112-Q187 HydrophobicContact CD2-CB 4.12Å; F112-Q187 HydrophobicContact CE2-CB 4.08Å; F112-E188 HydrophobicContact CE2-CB 4.41Å; F112-E188 HydrophobicContact CZ-CB 4.15Å; F112-E188 HydrophobicContact CZ-CG 4.3Å; F112-F191 HydrophobicContact CB-CB 4.09Å; F112-F191 HydrophobicContact CB-CD2 3.69Å; F112-F191 HydrophobicContact CB-CE2 4.41Å; F112-F191 HydrophobicContact CB-CG 4.16Å; F112-F191 HydrophobicContact CD1-CB 3.8Å; F112-F191 AromaticContact CD1-CD1 3.89Å; F112-F191 HydrophobicContact CD1-CD1 3.89Å; F112-F191 AromaticContact CD1-CD2 3.53Å; F112-F191 HydrophobicContact CD1-CD2 3.53Å; F112-F191 HydrophobicContact CD1-CE1 4.26Å; F112-F191 AromaticContact CD1-CE2 3.91Å; F112-F191 HydrophobicContact CD1-CE2 3.91Å; F112-F191 AromaticContact CD1-CG 3.46Å; F112-F191 HydrophobicContact CD1-CG 3.46Å; F112-F191 VanDerWaalsContact CD1-CG 3.46Å; F112-F191 HydrophobicContact CD1-CZ 4.22Å; F112-F191 HydrophobicContact CE1-CB 4.35Å; F112-F191 HydrophobicContact CE1-CD1 4.11Å; F112-F191 HydrophobicContact CE1-CE1 4.47Å; F112-F191 HydrophobicContact CE1-CG 4.09Å; F112-F191 HydrophobicContact CG-CB 3.91Å; F112-F191 AromaticContact CG-CD2 3.96Å; F112-F191 HydrophobicContact CG-CD2 3.96Å; F112-F191 AromaticContact CG-CG 4Å; F112-F191 HydrophobicContact CG-CG 4Å; F112-F191 WeakPolarHBondContact O-CD2 3.16Å
113W94.4Very high90.8Very high38 Ų3856.3 Ų56.314%0.14428%0.278CS..SBendtrans-70.6147.2175.9-72.46.1000111.2D25 V28 V29 Y86 Q108 T109 P110D25-W113 HydrophobicContact CB-CE3 4.12Å; D25-W113 HydrophobicContact CB-CZ3 3.75Å; D25-W113 VanDerWaalsContact OD1-CE3 3.29Å; V28-W113 HydrophobicContact CB-CH2 4.35Å; V28-W113 HydrophobicContact CB-CZ2 4.28Å; V28-W113 HydrophobicContact CG1-CH2 4.13Å; V28-W113 HydrophobicContact CG1-CZ2 3.63Å; V29-W113 HydrophobicContact CG2-CH2 3.86Å; V29-W113 HydrophobicContact CG2-CZ3 4.41Å; Y86-W113 AromaticContact CD1-CD1 3.98Å; Y86-W113 AromaticContact CD1-CD2 3.81Å; Y86-W113 HydrophobicContact CD1-CD2 3.81Å; Y86-W113 AromaticContact CD1-CE2 3.81Å; Y86-W113 HydrophobicContact CD1-CE3 4.38Å; Y86-W113 AromaticContact CD1-CG 3.94Å; Y86-W113 HydrophobicContact CD1-CG 3.94Å; Y86-W113 HydrophobicContact CD1-CZ2 4.38Å; Y86-W113 AromaticContact CD1-NE1 3.91Å; Y86-W113 HydrophobicContact CE1-CB 4.17Å; Y86-W113 AromaticContact CE1-CD2 3.57Å; Y86-W113 HydrophobicContact CE1-CD2 3.57Å; Y86-W113 AromaticContact CE1-CE3 3.79Å; Y86-W113 HydrophobicContact CE1-CE3 3.79Å; Y86-W113 AromaticContact CE1-CG 3.75Å; Y86-W113 HydrophobicContact CE1-CG 3.75Å; Y86-W113 HydrophobicContact CE1-CZ3 4.42Å; Q108-W113 PolarHBondContact O-NE1 3.14Å; T109-W113 VanDerWaalsContact O-CD1 3.22Å; P110-W113 HydrophobicContact CB-CD2 4.24Å; P110-W113 HydrophobicContact CB-CE3 4.44Å; P110-W113 HydrophobicContact CG-CH2 4.36Å; P110-W113 HydrophobicContact CG-CZ2 4.07Å; P110-W113 WeakPolarHBondContact O-CB 3.23Å; P110-W113 PolarHBondContact O-N 3.39Å; P110-W113 VanDerWaalsContact O-N 3.17Å
114P92.3Very high90.8Very high17 Ų1758.7 Ų58.711%0.1129%0.288CS..  trans-62.9140.9177.627.1-35.5000111.1L21 Y86 L205L21-P114 HydrophobicContact CD1-CB 4.2Å; L21-P114 HydrophobicContact CD2-CB 4.16Å; L21-P114 HydrophobicContact CD2-CG 3.81Å; Y86-P114 HydrophobicContact CE2-CG 3.7Å; P114-L205 HydrophobicContact CB-CD2 3.9Å
115S87Confident91Very high49 Ų4957.3 Ų57.334%0.34328%0.281SS..  trans-123.6149.8176.9-173.50000111.3R15R15-S115 PolarHBondContact NH1-O 3.49Å
116Q82.9Confident91Very high38 Ų3857.1 Ų57.118%0.17828%0.28CS..SBendtrans-66.9-45.3175.6-172.5-173-37.600111.3R15 T18 N216R15-Q116 PolarHBondContact NH1-O 3.2Å; T18-Q116 VanDerWaalsContact OG1-CB 3.3Å; T18-Q116 WeakPolarHBondContact OG1-CB 3.37Å; T18-Q116 WeakPolarHBondContact OG1-CG 3.31Å; Q116-N216 PolarHBondContact NE2-ND2 3.35Å; Q116-N216 PolarHBondContact NE2-OD1 3.02Å
117Q77.9Confident91Very high117 Ų11757.2 Ų57.255%0.54728%0.281SS..SBendtrans-88.6-38.9-171.9-70.5-173.6-4.600112.7N216Q117-N216 PolarHBondContact NE2-ND2 3.28Å
118W78.5Confident91Very high190 Ų19056 Ų5672%0.7228%0.276SS*.  trans-95.6117.2-172.3-59.4103.6000109.9
119V83.2Confident90.9Very high73 Ų7355.9 Ų55.944%0.44228%0.275SS..  trans-109.8137.3170.8179.70000107.2R15 E121R15-V119 VanDerWaalsContact NH1-CG2 3.26Å; V119-E121 PolarHBondContact O-N 2.97Å
120P88.1Confident90.9Very high17 Ų1753.7 Ų53.711%0.1126%0.262CS..  trans-61.1129.6179.3-23.336.3000111.1F191 W192 N195 R196P120-F191 HydrophobicContact CB-CE1 4.18Å; P120-F191 HydrophobicContact CB-CZ 3.99Å; P120-F191 HydrophobicContact CG-CE1 3.93Å; P120-F191 HydrophobicContact CG-CE2 4.1Å; P120-F191 HydrophobicContact CG-CZ 3.34Å; P120-W192 HydrophobicContact CB-CH2 3.62Å; P120-W192 HydrophobicContact CB-CZ3 3.68Å; P120-N195 WeakPolarHBondContact CD-OD1 3.28Å; P120-N195 HydrophobicContact CG-CB 4Å; P120-N195 WeakPolarHBondContact CG-OD1 3.42Å; P120-R196 PolarHBondContact O-NH2 2.86Å
121E90.7Very high90.9Very high101 Ų10150.7 Ų50.747%0.47224%0.241SC..  trans-77.3157.9-177.9-62.9-170.2176.200111V119 S123 D124 Y125V119-E121 PolarHBondContact O-N 2.97Å; E121-S123 PolarHBondContact O-N 3.4Å; E121-D124 PolarHBondContact N-OD2 3.37Å; E121-D124 PolarHBondContact O-N 3.05Å; E121-D124 VanDerWaalsContact O-N 3.17Å; E121-Y125 PolarHBondContact O-N 3.28Å
122D93.4Very high90.9Very high63 Ų6344 Ų4434%0.33721%0.214SC..Hα-helixtrans-65.1-27.5178.7-68.3-23.6000112.1Y125 A126 L151 L155 R196D122-Y125 PolarHBondContact O-N 3.25Å; D122-A126 WeakPolarHBondContact O-CB 3.45Å; D122-A126 PolarHBondContact O-N 2.67Å; D122-L151 HydrophobicContact CB-CD2 3.77Å; D122-L155 HydrophobicContact CB-CD1 4.3Å; D122-R196 IonicContact OD1-CZ 3.7Å; D122-R196 IonicContact OD1-NE 2.75Å; D122-R196 IonicContact OD1-NH2 2.64Å; D122-R196 PolarHBondContact OD1-NH2 3.44Å
123S93.8Very high90.7Very high27 Ų2745 Ų4519%0.18922%0.22CC..Hα-helixtrans-66.2-39172.945.10000112.8E121 Y125 A126 I127E121-S123 PolarHBondContact O-N 3.4Å; S123-Y125 VanDerWaalsContact C-N 3.31Å; S123-Y125 PolarHBondContact O-N 2.84Å; S123-A126 PolarHBondContact O-N 2.91Å; S123-I127 VanDerWaalsContact O-CG1 3.32Å; S123-I127 WeakPolarHBondContact O-CG1 3.39Å; S123-I127 PolarHBondContact O-N 3.16Å
124D93.9Very high90.4Very high77 Ų7746.6 Ų46.641%0.41223%0.231SC..Hα-helixtrans-66.3-39.2178.2-59.3-41.1000110.4E121 I127 Y128 W192E121-D124 PolarHBondContact N-OD2 3.37Å; E121-D124 PolarHBondContact O-N 3.05Å; E121-D124 VanDerWaalsContact O-N 3.17Å; D124-I127 PolarHBondContact O-N 2.91Å; D124-Y128 PolarHBondContact O-N 2.8Å; D124-Y128 VanDerWaalsContact O-N 3.08Å; D124-W192 VanDerWaalsContact C-CZ2 3.47Å; D124-W192 HydrophobicContact CB-CH2 3.84Å; D124-W192 HydrophobicContact CB-CZ2 3.88Å
125Y95.4Very high90.1Very high6 Ų652.1 Ų52.12%0.02425%0.249CC..Hα-helixtrans-66.8-40.7176.3-169.4-138.1000111.5E121 D122 S123 I127 Y128 L129 D147 L151 W192 R196E121-Y125 PolarHBondContact O-N 3.28Å; D122-Y125 PolarHBondContact O-N 3.25Å; S123-Y125 VanDerWaalsContact C-N 3.31Å; S123-Y125 PolarHBondContact O-N 2.84Å; Y125-I127 VanDerWaalsContact C-N 3.35Å; Y125-I127 PolarHBondContact O-N 3.01Å; Y125-Y128 AromaticContact CD2-CD1 3.9Å; Y125-Y128 HydrophobicContact CD2-CD1 3.9Å; Y125-Y128 AromaticContact CE2-CD1 3.82Å; Y125-Y128 HydrophobicContact CE2-CD1 3.82Å; Y125-Y128 HydrophobicContact CE2-CE1 4.14Å; Y125-Y128 WeakPolarHBondContact O-CB 3.35Å; Y125-Y128 PolarHBondContact O-N 3.46Å; Y125-L129 HydrophobicContact CD1-CD1 4.13Å; Y125-L129 HydrophobicContact CD2-CG 4.27Å; Y125-L129 HydrophobicContact CE1-CD1 3.73Å; Y125-L129 HydrophobicContact CE1-CG 4.4Å; Y125-L129 HydrophobicContact CE2-CD1 4.19Å; Y125-L129 HydrophobicContact CE2-CD2 3.98Å; Y125-L129 HydrophobicContact CE2-CG 3.97Å; Y125-L129 HydrophobicContact CG-CD1 4.5Å; Y125-L129 WeakPolarHBondContact O-CG 3.25Å; Y125-L129 PolarHBondContact O-N 2.75Å; Y125-D147 HydrophobicContact CE1-CB 4Å; Y125-L151 HydrophobicContact CD1-CD1 3.71Å; Y125-L151 HydrophobicContact CE1-CD1 4.34Å; Y125-L151 HydrophobicContact CG-CD1 4.42Å; Y125-W192 VanDerWaalsContact CA-CH2 3.42Å; Y125-W192 AromaticContact CD2-CD2 3.5Å; Y125-W192 HydrophobicContact CD2-CD2 3.5Å; Y125-W192 VanDerWaalsContact CD2-CD2 3.5Å; Y125-W192 AromaticContact CD2-CE3 3.31Å; Y125-W192 HydrophobicContact CD2-CE3 3.31Å; Y125-W192 HydrophobicContact CD2-CG 4.05Å; Y125-W192 HydrophobicContact CD2-CH2 4.2Å; Y125-W192 HydrophobicContact CD2-CZ2 4.35Å; Y125-W192 AromaticContact CD2-CZ3 3.7Å; Y125-W192 HydrophobicContact CD2-CZ3 3.7Å; Y125-W192 HydrophobicContact CE2-CB 4.28Å; Y125-W192 HydrophobicContact CE2-CD2 4.1Å; Y125-W192 HydrophobicContact CE2-CE3 4Å; Y125-W192 HydrophobicContact CE2-CG 4.23Å; Y125-W192 HydrophobicContact CG-CD2 4.45Å; Y125-W192 AromaticContact CG-CE3 3.93Å; Y125-W192 HydrophobicContact CG-CE3 3.93Å; Y125-W192 HydrophobicContact CG-CH2 4.28Å; Y125-W192 AromaticContact CG-CZ3 3.85Å; Y125-W192 HydrophobicContact CG-CZ3 3.85Å; Y125-W192 VanDerWaalsContact N-CH2 3.25Å; Y125-R196 HydrophobicContact CD1-CG 3.92Å; Y125-R196 HydrophobicContact CD2-CG 4.18Å; Y125-R196 HydrophobicContact CE1-CB 4.15Å; Y125-R196 HydrophobicContact CE1-CG 3.96Å; Y125-R196 HydrophobicContact CE2-CB 4.15Å; Y125-R196 HydrophobicContact CE2-CG 4.21Å; Y125-R196 HydrophobicContact CG-CG 4.06Å
126A95.7Very high90Very high0 Ų055.6 Ų55.60%026%0.258CS..Hα-helixtrans-60.6-42.3175.100000112.2D122 S123 Y128 L129 A130 L151 L155 W159 I162D122-A126 WeakPolarHBondContact O-CB 3.45Å; D122-A126 PolarHBondContact O-N 2.67Å; S123-A126 PolarHBondContact O-N 2.91Å; A126-Y128 PolarHBondContact O-N 2.65Å; A126-L129 PolarHBondContact O-N 2.86Å; A126-A130 VanDerWaalsContact O-CB 3.26Å; A126-A130 WeakPolarHBondContact O-CB 3.44Å; A126-A130 PolarHBondContact O-N 3.44Å; A126-L151 HydrophobicContact CB-CB 4.23Å; A126-L151 HydrophobicContact CB-CD1 4.11Å; A126-L155 HydrophobicContact CB-CD1 4.32Å; A126-W159 HydrophobicContact CB-CZ3 4.1Å; A126-I162 HydrophobicContact CB-CD1 3.91Å; A126-I162 HydrophobicContact CB-CG2 4.03Å
127I95.8Very high89.9Confident13 Ų1362.7 Ų62.77%0.06729%0.288CS..Hα-helixtrans-60.7-45.2175.2-68.3165.2000110.7S123 D124 Y125 A130 K131 I162 Q165 A166S123-I127 VanDerWaalsContact O-CG1 3.32Å; S123-I127 WeakPolarHBondContact O-CG1 3.39Å; S123-I127 PolarHBondContact O-N 3.16Å; D124-I127 PolarHBondContact O-N 2.91Å; Y125-I127 VanDerWaalsContact C-N 3.35Å; Y125-I127 PolarHBondContact O-N 3.01Å; I127-A130 PolarHBondContact O-N 3.21Å; I127-K131 VanDerWaalsContact O-CB 3.31Å; I127-K131 WeakPolarHBondContact O-CB 3.33Å; I127-K131 PolarHBondContact O-N 2.72Å; I127-I162 HydrophobicContact CG1-CB 4.25Å; I127-I162 HydrophobicContact CG1-CG1 4.24Å; I127-I162 HydrophobicContact CG1-CG2 3.92Å; I127-Q165 HydrophobicContact CD1-CB 3.98Å; I127-Q165 HydrophobicContact CD1-CG 4.42Å; I127-Q165 HydrophobicContact CG1-CB 4.24Å; I127-Q165 HydrophobicContact CG2-CB 4.34Å; I127-A166 HydrophobicContact CG2-CB 4.25Å
128Y95.3Very high89.9Confident6 Ų659.8 Ų59.82%0.02429%0.29CS..Hα-helixtrans-59.9-48.4177.3165.3-107.6000112.5D124 Y125 A126 K131 R132 E188 W192D124-Y128 PolarHBondContact O-N 2.8Å; D124-Y128 VanDerWaalsContact O-N 3.08Å; Y125-Y128 AromaticContact CD2-CD1 3.9Å; Y125-Y128 HydrophobicContact CD2-CD1 3.9Å; Y125-Y128 AromaticContact CE2-CD1 3.82Å; Y125-Y128 HydrophobicContact CE2-CD1 3.82Å; Y125-Y128 HydrophobicContact CE2-CE1 4.14Å; Y125-Y128 WeakPolarHBondContact O-CB 3.35Å; Y125-Y128 PolarHBondContact O-N 3.46Å; A126-Y128 PolarHBondContact O-N 2.65Å; Y128-K131 PolarHBondContact O-N 3.49Å; Y128-R132 HydrophobicContact CE2-CG 4.14Å; Y128-R132 PolarHBondContact O-N 2.93Å; Y128-R132 WeakPolarHBondContact OH-CD 3.46Å; Y128-R132 PolarHBondContact OH-NH1 3.34Å; Y128-R132 VanDerWaalsContact OH-NH1 3.1Å; Y128-E188 HydrophobicContact CD2-CG 3.71Å; Y128-E188 HydrophobicContact CE2-CG 3.91Å; Y128-W192 VanDerWaalsContact CB-NE1 3.34Å; Y128-W192 HydrophobicContact CD1-CB 4.27Å; Y128-W192 AromaticContact CD1-CD1 3.35Å; Y128-W192 HydrophobicContact CD1-CD2 4.31Å; Y128-W192 AromaticContact CD1-CG 3.72Å; Y128-W192 HydrophobicContact CD1-CG 3.72Å; Y128-W192 AromaticContact CD1-NE1 3.74Å; Y128-W192 AromaticContact CD2-CD1 3.48Å; Y128-W192 VanDerWaalsContact CD2-CD1 3.48Å; Y128-W192 AromaticContact CD2-NE1 3.7Å; Y128-W192 HydrophobicContact CE1-CB 3.91Å; Y128-W192 AromaticContact CE1-CD1 3.61Å; Y128-W192 AromaticContact CE1-CG 3.84Å; Y128-W192 HydrophobicContact CE1-CG 3.84Å; Y128-W192 AromaticContact CE2-CD1 3.73Å; Y128-W192 AromaticContact CG-CD1 3.26Å; Y128-W192 HydrophobicContact CG-CG 4.07Å; Y128-W192 AromaticContact CG-NE1 3.3Å; Y128-W192 VanDerWaalsContact CG-NE1 3.3Å; Y128-W192 AromaticContact CZ-CD1 3.77Å
129L95.1Very high90.2Very high0 Ų055.5 Ų55.50%028%0.279CS..Hα-helixtrans-65.5-41.7178.9-66.3-179.4000111.8Y125 A126 K131 R132 N133 L140 E144 D147 Y148 L151Y125-L129 HydrophobicContact CD1-CD1 4.13Å; Y125-L129 HydrophobicContact CD2-CG 4.27Å; Y125-L129 HydrophobicContact CE1-CD1 3.73Å; Y125-L129 HydrophobicContact CE1-CG 4.4Å; Y125-L129 HydrophobicContact CE2-CD1 4.19Å; Y125-L129 HydrophobicContact CE2-CD2 3.98Å; Y125-L129 HydrophobicContact CE2-CG 3.97Å; Y125-L129 HydrophobicContact CG-CD1 4.5Å; Y125-L129 WeakPolarHBondContact O-CG 3.25Å; Y125-L129 PolarHBondContact O-N 2.75Å; A126-L129 PolarHBondContact O-N 2.86Å; L129-K131 PolarHBondContact O-N 3.42Å; L129-R132 PolarHBondContact O-N 3.45Å; L129-N133 PolarHBondContact O-N 3.33Å; L129-L140 HydrophobicContact CD2-CD2 4.03Å; L129-E144 HydrophobicContact CD2-CB 3.93Å; L129-E144 HydrophobicContact CD2-CG 4.3Å; L129-D147 HydrophobicContact CD1-CB 4.41Å; L129-Y148 HydrophobicContact CB-CD2 3.58Å; L129-Y148 HydrophobicContact CB-CE2 4.27Å; L129-Y148 HydrophobicContact CB-CG 4.42Å; L129-Y148 HydrophobicContact CD1-CD2 4.38Å; L129-L151 HydrophobicContact CD1-CD1 4.14Å
130A94.5Very high90.4Very high2 Ų252.8 Ų52.82%0.01726%0.262CS..Hα-helixtrans-60.2-45.9175.100000111.5A126 I127 R132 N133 I134 Y148 I162 A166A126-A130 VanDerWaalsContact O-CB 3.26Å; A126-A130 WeakPolarHBondContact O-CB 3.44Å; A126-A130 PolarHBondContact O-N 3.44Å; I127-A130 PolarHBondContact O-N 3.21Å; A130-R132 VanDerWaalsContact C-N 3.32Å; A130-R132 PolarHBondContact O-N 2.85Å; A130-N133 PolarHBondContact O-N 3.3Å; A130-N133 VanDerWaalsContact O-N 3.16Å; A130-I134 VanDerWaalsContact O-CG1 3.31Å; A130-I134 WeakPolarHBondContact O-CG1 3.33Å; A130-I134 PolarHBondContact O-N 3.31Å; A130-Y148 HydrophobicContact CB-CE2 4.01Å; A130-I162 HydrophobicContact CB-CG2 4.29Å; A130-A166 HydrophobicContact CB-CB 3.74Å
131K94Very high90.5Very high19 Ų1953.4 Ų53.48%0.08326%0.264CS..Hα-helixtrans-59.2-42.6176.7-179.1173.265.4-169.60111.8I127 Y128 L129 I134 R135 A166 Q169 E188I127-K131 VanDerWaalsContact O-CB 3.31Å; I127-K131 WeakPolarHBondContact O-CB 3.33Å; I127-K131 PolarHBondContact O-N 2.72Å; Y128-K131 PolarHBondContact O-N 3.49Å; L129-K131 PolarHBondContact O-N 3.42Å; K131-I134 PolarHBondContact O-N 3.32Å; K131-R135 PolarHBondContact O-N 2.72Å; K131-A166 HydrophobicContact CB-CB 4.11Å; K131-Q169 HydrophobicContact CD-CB 3.87Å; K131-E188 WeakPolarHBondContact CE-OE2 3.49Å; K131-E188 IonicContact NZ-OE1 3.5Å; K131-E188 PolarHBondContact NZ-OE1 3.09Å; K131-E188 IonicContact NZ-OE2 3.47Å; K131-E188 PolarHBondContact NZ-OE2 3.05Å
132R92.3Very high90.5Very high55 Ų5553.9 Ų53.921%0.20828%0.276CS..Hα-helixtrans-64.7-40.1175.5-78.7-172.159.9-162.8-12.4112.6Y128 L129 A130 R135 K136 M139 L140 E144Y128-R132 HydrophobicContact CE2-CG 4.14Å; Y128-R132 PolarHBondContact O-N 2.93Å; Y128-R132 WeakPolarHBondContact OH-CD 3.46Å; Y128-R132 PolarHBondContact OH-NH1 3.34Å; Y128-R132 VanDerWaalsContact OH-NH1 3.1Å; L129-R132 PolarHBondContact O-N 3.45Å; A130-R132 VanDerWaalsContact C-N 3.32Å; A130-R132 PolarHBondContact O-N 2.85Å; R132-R135 PolarHBondContact O-N 3.48Å; R132-K136 PolarHBondContact O-N 3.18Å; R132-M139 PolarHBondContact NH2-O 2.94Å; R132-L140 HydrophobicContact CB-CD2 3.85Å; R132-E144 IonicContact CZ-OE1 3.09Å; R132-E144 IonicContact CZ-OE2 3.69Å; R132-E144 VanDerWaalsContact CZ-OE2 3.24Å; R132-E144 IonicContact NH1-OE1 3.05Å; R132-E144 PolarHBondContact NH1-OE1 3.04Å; R132-E144 IonicContact NH1-OE2 3.39Å; R132-E144 PolarHBondContact NH1-OE2 3.34Å; R132-E144 IonicContact NH2-OE2 3.4Å; R132-E144 PolarHBondContact NH2-OE2 2.87Å
133N90.6Very high90.3Very high38 Ų3852.4 Ų52.420%0.20327%0.265CS..Hα-helixtrans-67.3-37.3177.5-161.425.9000112.1L129 A130 K136 K137 L140L129-N133 PolarHBondContact O-N 3.33Å; A130-N133 PolarHBondContact O-N 3.3Å; A130-N133 VanDerWaalsContact O-N 3.16Å; N133-K136 CarbonylContact O-C 3.35Å; N133-K137 PolarHBondContact O-N 2.92Å; N133-L140 HydrophobicContact CB-CD1 4.29Å
134I88.7Confident90.2Very high70 Ų7051.3 Ų51.336%0.35926%0.258SS..Hα-helixtrans-62.6-44.7173.2-68.6164.4000111A130 K131 K136 A166 Y170A130-I134 VanDerWaalsContact O-CG1 3.31Å; A130-I134 WeakPolarHBondContact O-CG1 3.33Å; A130-I134 PolarHBondContact O-N 3.31Å; K131-I134 PolarHBondContact O-N 3.32Å; I134-K136 VanDerWaalsContact C-N 3.34Å; I134-K136 PolarHBondContact O-N 3.44Å; I134-A166 HydrophobicContact CD1-CB 4Å; I134-Y170 HydrophobicContact CG2-CD1 3.94Å; I134-Y170 HydrophobicContact CG2-CE1 4.29Å; I134-Y170 HydrophobicContact CG2-CG 4.15Å
135R86Confident90.2Very high133 Ų13350.7 Ų50.750%0.50225%0.252SS..Hα-helixtrans-58.7-44.6-178.4175.6-179.6176.8171.16.1112.4K131 R132 Y170 D185K131-R135 PolarHBondContact O-N 2.72Å; R132-R135 PolarHBondContact O-N 3.48Å; R135-Y170 HydrophobicContact CB-CD2 4.24Å; R135-Y170 HydrophobicContact CB-CE2 3.76Å; R135-Y170 HydrophobicContact CG-CE2 4.02Å; R135-D185 IonicContact CZ-OD2 3.22Å; R135-D185 VanDerWaalsContact NH1-CG 3.26Å; R135-D185 IonicContact NH1-OD1 2.92Å; R135-D185 IonicContact NH1-OD2 3.62Å; R135-D185 PolarHBondContact NH1-OD2 3.12Å; R135-D185 IonicContact NH2-OD2 2.7Å; R135-D185 PolarHBondContact NH2-OD2 3.31Å
136K85.1Confident90Very high122 Ų12254 Ų5453%0.5327%0.273SS..SBendtrans-159.6107.9176.9-172.7172.1171.9-166.30109.4R132 N133 I134 G138 M139R132-K136 PolarHBondContact O-N 3.18Å; N133-K136 CarbonylContact O-C 3.35Å; I134-K136 VanDerWaalsContact C-N 3.34Å; I134-K136 PolarHBondContact O-N 3.44Å; K136-G138 PolarHBondContact O-N 3.31Å; K136-M139 HydrophobicContact CB-CB 4.5Å; K136-M139 HydrophobicContact CB-CG 3.72Å; K136-M139 HydrophobicContact CD-CE 4.45Å; K136-M139 HydrophobicContact CD-CG 3.5Å; K136-M139 HydrophobicContact CD-SD 3.78Å; K136-M139 HydrophobicContact CG-CG 3.48Å; K136-M139 VanDerWaalsContact CG-CG 3.48Å; K136-M139 HydrophobicContact CG-SD 4.38Å; K136-M139 PolarHBondContact O-N 3.23Å
137K80.9Confident89.9Confident187 Ų18755.9 Ų55.981%0.81328%0.283SS*.THydrogen-bonded Turntrans-54.1133.6177.5-70.5-176.9177.8-177.90110.4N133N133-K137 PolarHBondContact O-N 2.92Å
138G76.3Confident89.8Confident57 Ų5756.8 Ų56.859%0.58829%0.286SS*.THydrogen-bonded Turntrans81.414.6176.800000116.3K136K136-G138 PolarHBondContact O-N 3.31Å
139M84.9Confident89.8Confident99 Ų9960.3 Ų60.349%0.48831%0.305SS..  trans-101.29.7175-64-79.8106.900113.8R132 K136R132-M139 PolarHBondContact NH2-O 2.94Å; K136-M139 HydrophobicContact CB-CB 4.5Å; K136-M139 HydrophobicContact CB-CG 3.72Å; K136-M139 HydrophobicContact CD-CE 4.45Å; K136-M139 HydrophobicContact CD-CG 3.5Å; K136-M139 HydrophobicContact CD-SD 3.78Å; K136-M139 HydrophobicContact CG-CG 3.48Å; K136-M139 VanDerWaalsContact CG-CG 3.48Å; K136-M139 HydrophobicContact CG-SD 4.38Å; K136-M139 PolarHBondContact O-N 3.23Å
140L89Confident89.7Confident17 Ų1765.3 Ų65.39%0.08933%0.328CS..SBendtrans-74.5139.5169.2-66.6-179000108.8L129 R132 N133 E144 Q145 Y148L129-L140 HydrophobicContact CD2-CD2 4.03Å; R132-L140 HydrophobicContact CB-CD2 3.85Å; N133-L140 HydrophobicContact CB-CD1 4.29Å; L140-E144 HydrophobicContact CB-CB 4.25Å; L140-E144 HydrophobicContact CD2-CB 4.47Å; L140-Q145 HydrophobicContact CB-CB 4.5Å; L140-Y148 HydrophobicContact CD1-CD1 4.46Å; L140-Y148 HydrophobicContact CD1-CG 4.18Å
141E88.8Confident89.8Confident30 Ų3065.6 Ų65.614%0.1433%0.329CS..  trans-68.9157.4173.7-59.9-168.6163.700110.2H93 R94 Y143 E144 Q145H93-E141 IonicContact CE1-OE1 3.61Å; R94-E141 IonicContact CZ-OE1 2.71Å; R94-E141 IonicContact CZ-OE2 3.44Å; R94-E141 VanDerWaalsContact CZ-OE2 3.29Å; R94-E141 IonicContact NE-OE1 3.32Å; R94-E141 PolarHBondContact NE-OE1 3.47Å; R94-E141 IonicContact NE-OE2 3.27Å; R94-E141 PolarHBondContact NE-OE2 3.4Å; R94-E141 VanDerWaalsContact NE-OE2 3.12Å; R94-E141 IonicContact NH2-OE1 2.71Å; R94-E141 PolarHBondContact NH2-OE1 2.99Å; R94-E141 IonicContact NH2-OE2 2.77Å; R94-E141 PolarHBondContact NH2-OE2 3.34Å; E141-Y143 VanDerWaalsContact C-N 3.28Å; E141-Y143 HydrophobicContact CB-CD1 4.1Å; E141-Y143 HydrophobicContact CB-CE1 3.94Å; E141-Y143 PolarHBondContact O-N 3.42Å; E141-Y143 VanDerWaalsContact O-N 3.16Å; E141-Y143 WeakPolarHBondContact OE2-CE1 3.34Å; E141-E144 HydrophobicContact CB-CB 4.47Å; E141-E144 HydrophobicContact CB-CG 4.06Å; E141-E144 PolarHBondContact N-OE2 3.46Å; E141-E144 WeakPolarHBondContact O-CA 3.44Å; E141-E144 WeakPolarHBondContact O-CB 3.32Å; E141-E144 PolarHBondContact O-N 3.28Å; E141-Q145 PolarHBondContact O-N 3.34Å
142P90.4Very high89.8Confident111 Ų11168.2 Ų68.272%0.72134%0.342SS*.Hα-helixtrans-55-38.3-175.4-29.335.9000114.5V146P142-V146 WeakPolarHBondContact O-CG2 3.18Å; P142-V146 PolarHBondContact O-N 2.94Å
143Y89.8Confident89.9Confident31 Ų3172.6 Ų72.612%0.12237%0.365CS..Hα-helixtrans-72-38.117677.3-92.2000112E141 Q145 V146 D147 P198E141-Y143 VanDerWaalsContact C-N 3.28Å; E141-Y143 HydrophobicContact CB-CD1 4.1Å; E141-Y143 HydrophobicContact CB-CE1 3.94Å; E141-Y143 PolarHBondContact O-N 3.42Å; E141-Y143 VanDerWaalsContact O-N 3.16Å; E141-Y143 WeakPolarHBondContact OE2-CE1 3.34Å; Y143-Q145 VanDerWaalsContact C-N 3.26Å; Y143-Q145 PolarHBondContact O-N 3.05Å; Y143-V146 WeakPolarHBondContact O-CB 3.48Å; Y143-V146 PolarHBondContact O-N 3.45Å; Y143-D147 PolarHBondContact O-N 3.43Å; Y143-P198 HydrophobicContact CD1-CB 4.32Å; Y143-P198 HydrophobicContact CE1-CB 3.97Å; Y143-P198 HydrophobicContact CE1-CG 3.91Å
144E92.6Very high90.1Very high5 Ų578.4 Ų78.42%0.02338%0.384CS..Hα-helixtrans-64.7-34.2176.8-61.7-177.3131.600111.1L129 R132 L140 E141 D147 Y148L129-E144 HydrophobicContact CD2-CB 3.93Å; L129-E144 HydrophobicContact CD2-CG 4.3Å; R132-E144 IonicContact CZ-OE1 3.09Å; R132-E144 IonicContact CZ-OE2 3.69Å; R132-E144 VanDerWaalsContact CZ-OE2 3.24Å; R132-E144 IonicContact NH1-OE1 3.05Å; R132-E144 PolarHBondContact NH1-OE1 3.04Å; R132-E144 IonicContact NH1-OE2 3.39Å; R132-E144 PolarHBondContact NH1-OE2 3.34Å; R132-E144 IonicContact NH2-OE2 3.4Å; R132-E144 PolarHBondContact NH2-OE2 2.87Å; L140-E144 HydrophobicContact CB-CB 4.25Å; L140-E144 HydrophobicContact CD2-CB 4.47Å; E141-E144 HydrophobicContact CB-CB 4.47Å; E141-E144 HydrophobicContact CB-CG 4.06Å; E141-E144 PolarHBondContact N-OE2 3.46Å; E141-E144 WeakPolarHBondContact O-CA 3.44Å; E141-E144 WeakPolarHBondContact O-CB 3.32Å; E141-E144 PolarHBondContact O-N 3.28Å; E144-D147 PolarHBondContact O-N 3.24Å; E144-Y148 VanDerWaalsContact O-CB 3.25Å; E144-Y148 WeakPolarHBondContact O-CB 3.25Å; E144-Y148 PolarHBondContact O-N 3.08Å
145Q92.6Very high90.4Very high63 Ų6375.8 Ų75.829%0.29437%0.37SS..Hα-helixtrans-67-40.9175.5-171.762.960.600111.6L140 E141 Y143 Y148 N149L140-Q145 HydrophobicContact CB-CB 4.5Å; E141-Q145 PolarHBondContact O-N 3.34Å; Y143-Q145 VanDerWaalsContact C-N 3.26Å; Y143-Q145 PolarHBondContact O-N 3.05Å; Q145-Y148 PolarHBondContact O-N 2.91Å; Q145-N149 PolarHBondContact NE2-OD1 3.19Å; Q145-N149 PolarHBondContact O-N 3.46Å; Q145-N149 PolarHBondContact O-OD1 2.97Å
146V92.4Very high90.8Very high75 Ų7574 Ų7446%0.45537%0.371SS..Hα-helixtrans-62.3-46.4174171.70000110.3P142 Y143 Y148 N149 H150P142-V146 WeakPolarHBondContact O-CG2 3.18Å; P142-V146 PolarHBondContact O-N 2.94Å; Y143-V146 WeakPolarHBondContact O-CB 3.48Å; Y143-V146 PolarHBondContact O-N 3.45Å; V146-Y148 PolarHBondContact O-N 3.49Å; V146-N149 PolarHBondContact O-N 2.88Å; V146-H150 WeakPolarHBondContact O-CB 3.49Å; V146-H150 PolarHBondContact O-N 3.41Å
147D92.6Very high91.2Very high41 Ų4175 Ų7522%0.21938%0.377CS..Hα-helixtrans-65.4-39.8179.2-65.1-18.4000111.4Y125 L129 Y143 E144 H150 L151Y125-D147 HydrophobicContact CE1-CB 4Å; L129-D147 HydrophobicContact CD1-CB 4.41Å; Y143-D147 PolarHBondContact O-N 3.43Å; E144-D147 PolarHBondContact O-N 3.24Å; D147-H150 PolarHBondContact O-N 3.47Å; D147-L151 WeakPolarHBondContact O-CB 3.4Å; D147-L151 WeakPolarHBondContact O-CG 3.48Å; D147-L151 PolarHBondContact O-N 3.32Å
148Y94.4Very high91.8Very high31 Ų3170.6 Ų70.612%0.12236%0.358CS..Hα-helixtrans-60.6-46.5175.7-176.8-107.6000112.4L129 A130 L140 E144 Q145 V146 L151 H152 W159L129-Y148 HydrophobicContact CB-CD2 3.58Å; L129-Y148 HydrophobicContact CB-CE2 4.27Å; L129-Y148 HydrophobicContact CB-CG 4.42Å; L129-Y148 HydrophobicContact CD1-CD2 4.38Å; A130-Y148 HydrophobicContact CB-CE2 4.01Å; L140-Y148 HydrophobicContact CD1-CD1 4.46Å; L140-Y148 HydrophobicContact CD1-CG 4.18Å; E144-Y148 VanDerWaalsContact O-CB 3.25Å; E144-Y148 WeakPolarHBondContact O-CB 3.25Å; E144-Y148 PolarHBondContact O-N 3.08Å; Q145-Y148 PolarHBondContact O-N 2.91Å; V146-Y148 PolarHBondContact O-N 3.49Å; Y148-L151 PolarHBondContact O-N 3.02Å; Y148-H152 WeakPolarHBondContact O-CB 3.48Å; Y148-H152 PolarHBondContact O-N 3.37Å; Y148-W159 HydrophobicContact CD2-CH2 4.03Å; Y148-W159 HydrophobicContact CD2-CZ2 4.49Å; Y148-W159 HydrophobicContact CE1-CZ2 4.32Å; Y148-W159 AromaticContact CE2-CH2 3.55Å; Y148-W159 HydrophobicContact CE2-CH2 3.55Å; Y148-W159 AromaticContact CE2-CZ2 3.63Å; Y148-W159 HydrophobicContact CE2-CZ2 3.63Å; Y148-W159 AromaticContact CZ-CH2 3.93Å; Y148-W159 AromaticContact CZ-CZ2 3.55Å; Y148-W159 WeakPolarHBondContact OH-CZ2 3.24Å
149N94.3Very high92.7Very high80 Ų8069 Ų6943%0.42833%0.334SS..Hα-helixtrans-63.5-44.1178.4-66.9-6.4000110.7Q145 V146 L151 H152 E153Q145-N149 PolarHBondContact NE2-OD1 3.19Å; Q145-N149 PolarHBondContact O-N 3.46Å; Q145-N149 PolarHBondContact O-OD1 2.97Å; V146-N149 PolarHBondContact O-N 2.88Å; N149-L151 PolarHBondContact O-N 2.93Å; N149-H152 WeakPolarHBondContact O-CB 3.38Å; N149-H152 PolarHBondContact O-N 3.27Å; N149-E153 PolarHBondContact O-N 3.48Å; N149-E153 VanDerWaalsContact O-N 3.13Å
150H94.6Very high93.2Very high106 Ų10671.1 Ų71.149%0.49135%0.348SS..Hα-helixtrans-61.2-44176.2177.959.1000112.3V146 D147 H152 E153 W154V146-H150 WeakPolarHBondContact O-CB 3.49Å; V146-H150 PolarHBondContact O-N 3.41Å; D147-H150 PolarHBondContact O-N 3.47Å; H150-H152 VanDerWaalsContact C-N 3.34Å; H150-E153 PolarHBondContact O-N 3.45Å; H150-W154 VanDerWaalsContact O-CB 3.29Å; H150-W154 WeakPolarHBondContact O-CB 3.45Å; H150-W154 PolarHBondContact O-N 2.95Å
151L95.3Very high93.5Very high8 Ų875.6 Ų75.64%0.04237%0.367CS..Hα-helixtrans-66.6-35.3177.5-70.7167.8000112.4D122 Y125 A126 L129 D147 Y148 N149 E153 W154 L155D122-L151 HydrophobicContact CB-CD2 3.77Å; Y125-L151 HydrophobicContact CD1-CD1 3.71Å; Y125-L151 HydrophobicContact CE1-CD1 4.34Å; Y125-L151 HydrophobicContact CG-CD1 4.42Å; A126-L151 HydrophobicContact CB-CB 4.23Å; A126-L151 HydrophobicContact CB-CD1 4.11Å; L129-L151 HydrophobicContact CD1-CD1 4.14Å; D147-L151 WeakPolarHBondContact O-CB 3.4Å; D147-L151 WeakPolarHBondContact O-CG 3.48Å; D147-L151 PolarHBondContact O-N 3.32Å; Y148-L151 PolarHBondContact O-N 3.02Å; N149-L151 PolarHBondContact O-N 2.93Å; L151-E153 VanDerWaalsContact C-N 3.34Å; L151-W154 PolarHBondContact O-N 3.1Å; L151-L155 HydrophobicContact CD2-CD1 4.17Å; L151-L155 WeakPolarHBondContact O-CA 3.38Å; L151-L155 VanDerWaalsContact O-CB 3.3Å; L151-L155 WeakPolarHBondContact O-CB 3.24Å; L151-L155 PolarHBondContact O-N 2.86Å
152H94.3Very high93.9Very high74 Ų7474.2 Ų74.234%0.34336%0.36SS..Hα-helixtrans-61.2-43.6174.2178.9-78.9000111.7Y148 N149 H150 N156 W159Y148-H152 WeakPolarHBondContact O-CB 3.48Å; Y148-H152 PolarHBondContact O-N 3.37Å; N149-H152 WeakPolarHBondContact O-CB 3.38Å; N149-H152 PolarHBondContact O-N 3.27Å; H150-H152 VanDerWaalsContact C-N 3.34Å; H152-N156 VanDerWaalsContact O-CA 3.29Å; H152-N156 WeakPolarHBondContact O-CA 3.38Å; H152-N156 VanDerWaalsContact O-CB 3.32Å; H152-N156 WeakPolarHBondContact O-CB 3.32Å; H152-N156 PolarHBondContact O-N 2.88Å; H152-W159 VanDerWaalsContact CA-CZ3 3.41Å; H152-W159 HydrophobicContact CB-CE3 4.34Å; H152-W159 HydrophobicContact CB-CH2 3.74Å; H152-W159 HydrophobicContact CB-CZ2 3.94Å; H152-W159 HydrophobicContact CB-CZ3 3.97Å; H152-W159 AromaticContact CD2-CD1 3.83Å; H152-W159 AromaticContact CD2-CD2 3.71Å; H152-W159 AromaticContact CD2-CE2 3.22Å; H152-W159 AromaticContact CD2-CZ2 3.47Å; H152-W159 VanDerWaalsContact CD2-CZ2 3.47Å; H152-W159 WeakPolarHBondContact CD2-CZ2 3.4Å; H152-W159 AromaticContact CD2-NE1 3.3Å; H152-W159 PolarHBondContact CD2-NE1 3.37Å; H152-W159 VanDerWaalsContact CD2-NE1 3.3Å; H152-W159 AromaticContact NE2-CD1 3.92Å; H152-W159 AromaticContact NE2-NE1 3.73Å
153E95.4Very high94.1Very high147 Ų14771.6 Ų71.669%0.68734%0.342SS*.Hα-helixtrans-67.4-49175-68.8173.2-176.600111.4N149 H150 L151N149-E153 PolarHBondContact O-N 3.48Å; N149-E153 VanDerWaalsContact O-N 3.13Å; H150-E153 PolarHBondContact O-N 3.45Å; L151-E153 VanDerWaalsContact C-N 3.34Å
154W93.1Very high94.4Very high159 Ų15975 Ų7560%0.60236%0.36SS*.Hα-helixtrans-69.2-40.7-174.6-177.5-106.7000113.7H150 L151H150-W154 VanDerWaalsContact O-CB 3.29Å; H150-W154 WeakPolarHBondContact O-CB 3.45Å; H150-W154 PolarHBondContact O-N 2.95Å; L151-W154 PolarHBondContact O-N 3.1Å
155L94.9Very high94.5Very high15 Ų1577 Ų778%0.07937%0.37CS..THydrogen-bonded Turntrans-104.423.6-177.7-58.2178000112.4D122 A126 L151 H157 K158 W159 I162D122-L155 HydrophobicContact CB-CD1 4.3Å; A126-L155 HydrophobicContact CB-CD1 4.32Å; L151-L155 HydrophobicContact CD2-CD1 4.17Å; L151-L155 WeakPolarHBondContact O-CA 3.38Å; L151-L155 VanDerWaalsContact O-CB 3.3Å; L151-L155 WeakPolarHBondContact O-CB 3.24Å; L151-L155 PolarHBondContact O-N 2.86Å; L155-H157 PolarHBondContact O-N 2.76Å; L155-H157 VanDerWaalsContact O-N 3.17Å; L155-K158 CarbonylContact O-C 3.6Å; L155-K158 PolarHBondContact O-N 3.43Å; L155-W159 PolarHBondContact O-N 3.33Å; L155-I162 HydrophobicContact CB-CD1 4.01Å; L155-I162 HydrophobicContact CD1-CD1 4.15Å
156N94.4Very high94.6Very high96 Ų9674 Ų7451%0.51336%0.356SS..G310 helixtrans-52.4-42.8-176.2-172.3-102.7000112.8H152 K158 W159H152-N156 VanDerWaalsContact O-CA 3.29Å; H152-N156 WeakPolarHBondContact O-CA 3.38Å; H152-N156 VanDerWaalsContact O-CB 3.32Å; H152-N156 WeakPolarHBondContact O-CB 3.32Å; H152-N156 PolarHBondContact O-N 2.88Å; N156-K158 PolarHBondContact O-N 3.25Å; N156-W159 VanDerWaalsContact O-CB 3.26Å; N156-W159 WeakPolarHBondContact O-CB 3.27Å; N156-W159 PolarHBondContact O-N 3.39Å
157H94.5Very high94.7Very high142 Ų14272.6 Ų72.666%0.65735%0.347SS*.G310 helixtrans-60.9-13.817769.3-76.1000115.3L155L155-H157 PolarHBondContact O-N 2.76Å; L155-H157 VanDerWaalsContact O-N 3.17Å
158K94.3Very high94.7Very high95 Ų9576 Ų7641%0.41336%0.362SS..G310 helixtrans-117.16.9176.1-71.8175.5-176.4-178.20112.4L155 N156 D160 F161 I162L155-K158 CarbonylContact O-C 3.6Å; L155-K158 PolarHBondContact O-N 3.43Å; N156-K158 PolarHBondContact O-N 3.25Å; K158-D160 PolarHBondContact O-N 2.83Å; K158-F161 WeakPolarHBondContact O-CB 3.4Å; K158-F161 PolarHBondContact O-N 3.29Å; K158-I162 HydrophobicContact CB-CD1 4.4Å; K158-I162 WeakPolarHBondContact O-CG1 3.33Å; K158-I162 PolarHBondContact O-N 3.45Å
159W94.9Very high94.6Very high24 Ų2478 Ų789%0.09137%0.372CS..Hα-helixtrans-67.5-37.9-166.3-163.1-105.5000113.3A126 Y148 H152 L155 N156 F161 I162 V163A126-W159 HydrophobicContact CB-CZ3 4.1Å; Y148-W159 HydrophobicContact CD2-CH2 4.03Å; Y148-W159 HydrophobicContact CD2-CZ2 4.49Å; Y148-W159 HydrophobicContact CE1-CZ2 4.32Å; Y148-W159 AromaticContact CE2-CH2 3.55Å; Y148-W159 HydrophobicContact CE2-CH2 3.55Å; Y148-W159 AromaticContact CE2-CZ2 3.63Å; Y148-W159 HydrophobicContact CE2-CZ2 3.63Å; Y148-W159 AromaticContact CZ-CH2 3.93Å; Y148-W159 AromaticContact CZ-CZ2 3.55Å; Y148-W159 WeakPolarHBondContact OH-CZ2 3.24Å; H152-W159 VanDerWaalsContact CA-CZ3 3.41Å; H152-W159 HydrophobicContact CB-CE3 4.34Å; H152-W159 HydrophobicContact CB-CH2 3.74Å; H152-W159 HydrophobicContact CB-CZ2 3.94Å; H152-W159 HydrophobicContact CB-CZ3 3.97Å; H152-W159 AromaticContact CD2-CD1 3.83Å; H152-W159 AromaticContact CD2-CD2 3.71Å; H152-W159 AromaticContact CD2-CE2 3.22Å; H152-W159 AromaticContact CD2-CZ2 3.47Å; H152-W159 VanDerWaalsContact CD2-CZ2 3.47Å; H152-W159 WeakPolarHBondContact CD2-CZ2 3.4Å; H152-W159 AromaticContact CD2-NE1 3.3Å; H152-W159 PolarHBondContact CD2-NE1 3.37Å; H152-W159 VanDerWaalsContact CD2-NE1 3.3Å; H152-W159 AromaticContact NE2-CD1 3.92Å; H152-W159 AromaticContact NE2-NE1 3.73Å; L155-W159 PolarHBondContact O-N 3.33Å; N156-W159 VanDerWaalsContact O-CB 3.26Å; N156-W159 WeakPolarHBondContact O-CB 3.27Å; N156-W159 PolarHBondContact O-N 3.39Å; W159-F161 VanDerWaalsContact C-N 3.27Å; W159-F161 PolarHBondContact O-N 3.38Å; W159-I162 HydrophobicContact CE3-CB 4.42Å; W159-I162 HydrophobicContact CE3-CD1 3.73Å; W159-I162 HydrophobicContact CE3-CG2 4.31Å; W159-I162 HydrophobicContact CZ3-CD1 4.11Å; W159-I162 HydrophobicContact CZ3-CG2 4.29Å; W159-I162 WeakPolarHBondContact O-CB 3.33Å; W159-I162 PolarHBondContact O-N 2.87Å; W159-I162 VanDerWaalsContact O-N 3.08Å; W159-V163 HydrophobicContact CG-CG2 4.5Å; W159-V163 WeakPolarHBondContact O-CG2 3.46Å; W159-V163 PolarHBondContact O-N 2.97Å
160D95.1Very high94.4Very high144 Ų14477.6 Ų77.677%0.7737%0.365SS*.Hα-helixtrans-58.4-42.2175.4-65-30.6000111.7K158 V163 M164K158-D160 PolarHBondContact O-N 2.83Å; D160-V163 PolarHBondContact O-N 3.07Å; D160-M164 VanDerWaalsContact O-CB 3.29Å; D160-M164 WeakPolarHBondContact O-CB 3.47Å; D160-M164 PolarHBondContact O-N 3.43Å
161F95.9Very high94.3Very high111 Ų11179 Ų7949%0.48737%0.369SS..Hα-helixtrans-64-42.9174.7176.8-96.6000111.8K158 W159 V163 M164 Q165K158-F161 WeakPolarHBondContact O-CB 3.4Å; K158-F161 PolarHBondContact O-N 3.29Å; W159-F161 VanDerWaalsContact C-N 3.27Å; W159-F161 PolarHBondContact O-N 3.38Å; F161-V163 PolarHBondContact O-N 2.89Å; F161-M164 HydrophobicContact CD2-CE 3.61Å; F161-M164 HydrophobicContact CE2-CE 3.85Å; F161-M164 PolarHBondContact O-N 2.7Å; F161-Q165 HydrophobicContact CD1-CG 4.21Å; F161-Q165 HydrophobicContact CD2-CG 4.36Å; F161-Q165 HydrophobicContact CE1-CG 3.72Å; F161-Q165 HydrophobicContact CE2-CG 3.89Å; F161-Q165 HydrophobicContact CZ-CG 3.54Å; F161-Q165 WeakPolarHBondContact O-CB 3.45Å; F161-Q165 WeakPolarHBondContact O-CG 3.27Å; F161-Q165 PolarHBondContact O-N 2.62Å
162I95.6Very high94Very high1 Ų181.2 Ų81.21%0.00539%0.389CS..Hα-helixtrans-59.8-47177.3-71165.1000110.9A126 I127 A130 L155 K158 W159 Q165 A166A126-I162 HydrophobicContact CB-CD1 3.91Å; A126-I162 HydrophobicContact CB-CG2 4.03Å; I127-I162 HydrophobicContact CG1-CB 4.25Å; I127-I162 HydrophobicContact CG1-CG1 4.24Å; I127-I162 HydrophobicContact CG1-CG2 3.92Å; A130-I162 HydrophobicContact CB-CG2 4.29Å; L155-I162 HydrophobicContact CB-CD1 4.01Å; L155-I162 HydrophobicContact CD1-CD1 4.15Å; K158-I162 HydrophobicContact CB-CD1 4.4Å; K158-I162 WeakPolarHBondContact O-CG1 3.33Å; K158-I162 PolarHBondContact O-N 3.45Å; W159-I162 HydrophobicContact CE3-CB 4.42Å; W159-I162 HydrophobicContact CE3-CD1 3.73Å; W159-I162 HydrophobicContact CE3-CG2 4.31Å; W159-I162 HydrophobicContact CZ3-CD1 4.11Å; W159-I162 HydrophobicContact CZ3-CG2 4.29Å; W159-I162 WeakPolarHBondContact O-CB 3.33Å; W159-I162 PolarHBondContact O-N 2.87Å; W159-I162 VanDerWaalsContact O-N 3.08Å; I162-Q165 PolarHBondContact O-N 3.46Å; I162-A166 VanDerWaalsContact O-CB 3.28Å; I162-A166 WeakPolarHBondContact O-CB 3.34Å; I162-A166 PolarHBondContact O-N 3.3Å
163V95.3Very high93.7Very high55 Ų5578.7 Ų78.733%0.33338%0.383SS..Hα-helixtrans-67.2-40.5179.4174.40000111.4W159 D160 F161 A166 T167W159-V163 HydrophobicContact CG-CG2 4.5Å; W159-V163 WeakPolarHBondContact O-CG2 3.46Å; W159-V163 PolarHBondContact O-N 2.97Å; D160-V163 PolarHBondContact O-N 3.07Å; F161-V163 PolarHBondContact O-N 2.89Å; V163-A166 PolarHBondContact O-N 3.48Å; V163-T167 WeakPolarHBondContact O-CB 3.41Å; V163-T167 PolarHBondContact O-N 3.33Å; V163-T167 PolarHBondContact O-OG1 3.24Å
164M95.4Very high93.2Very high102 Ų10279.2 Ų79.250%0.50238%0.379SS..Hα-helixtrans-58.2-52.5174.8-179-173.975.500110.9D160 F161 A166 T167 E168D160-M164 VanDerWaalsContact O-CB 3.29Å; D160-M164 WeakPolarHBondContact O-CB 3.47Å; D160-M164 PolarHBondContact O-N 3.43Å; F161-M164 HydrophobicContact CD2-CE 3.61Å; F161-M164 HydrophobicContact CE2-CE 3.85Å; F161-M164 PolarHBondContact O-N 2.7Å; M164-A166 PolarHBondContact O-N 3.37Å; M164-T167 PolarHBondContact O-N 2.85Å; M164-E168 WeakPolarHBondContact O-CB 3.3Å; M164-E168 PolarHBondContact O-N 3.45Å
165Q96.6Very high93Very high49 Ų4978.6 Ų78.623%0.22939%0.387CS..Hα-helixtrans-61.6-43.7178.1-73.5-64-71.700112.3I127 F161 I162 T167 E168 Q169I127-Q165 HydrophobicContact CD1-CB 3.98Å; I127-Q165 HydrophobicContact CD1-CG 4.42Å; I127-Q165 HydrophobicContact CG1-CB 4.24Å; I127-Q165 HydrophobicContact CG2-CB 4.34Å; F161-Q165 HydrophobicContact CD1-CG 4.21Å; F161-Q165 HydrophobicContact CD2-CG 4.36Å; F161-Q165 HydrophobicContact CE1-CG 3.72Å; F161-Q165 HydrophobicContact CE2-CG 3.89Å; F161-Q165 HydrophobicContact CZ-CG 3.54Å; F161-Q165 WeakPolarHBondContact O-CB 3.45Å; F161-Q165 WeakPolarHBondContact O-CG 3.27Å; F161-Q165 PolarHBondContact O-N 2.62Å; I162-Q165 PolarHBondContact O-N 3.46Å; Q165-T167 VanDerWaalsContact C-N 3.32Å; Q165-T167 PolarHBondContact O-N 2.66Å; Q165-E168 PolarHBondContact NE2-OE2 3.3Å; Q165-E168 VanDerWaalsContact NE2-OE2 3.15Å; Q165-E168 PolarHBondContact O-N 3.34Å; Q165-Q169 WeakPolarHBondContact O-CB 3.35Å; Q165-Q169 WeakPolarHBondContact O-CG 3.46Å; Q165-Q169 PolarHBondContact O-N 3.17Å
166A94.3Very high92.7Very high0 Ų083.3 Ų83.30%040%0.404CS..Hα-helixtrans-61.4-40.4177.100000112.3I127 A130 K131 I134 I162 V163 M164 Y170I127-A166 HydrophobicContact CG2-CB 4.25Å; A130-A166 HydrophobicContact CB-CB 3.74Å; K131-A166 HydrophobicContact CB-CB 4.11Å; I134-A166 HydrophobicContact CD1-CB 4Å; I162-A166 VanDerWaalsContact O-CB 3.28Å; I162-A166 WeakPolarHBondContact O-CB 3.34Å; I162-A166 PolarHBondContact O-N 3.3Å; V163-A166 PolarHBondContact O-N 3.48Å; M164-A166 PolarHBondContact O-N 3.37Å; A166-Y170 WeakPolarHBondContact O-CB 3.38Å; A166-Y170 PolarHBondContact O-N 3.14Å
167T93.9Very high92.4Very high44 Ų4483.1 Ų83.127%0.2740%0.403SS..Hα-helixtrans-67.9-43.4178.1-58.40000111.5V163 M164 Q165 Y170 K171V163-T167 WeakPolarHBondContact O-CB 3.41Å; V163-T167 PolarHBondContact O-N 3.33Å; V163-T167 PolarHBondContact O-OG1 3.24Å; M164-T167 PolarHBondContact O-N 2.85Å; Q165-T167 VanDerWaalsContact C-N 3.32Å; Q165-T167 PolarHBondContact O-N 2.66Å; T167-Y170 PolarHBondContact O-N 3.46Å; T167-K171 HydrophobicContact CG2-CD 4.47Å; T167-K171 WeakPolarHBondContact O-CG 3.37Å; T167-K171 PolarHBondContact O-N 3.5Å
168E93.4Very high92Very high114 Ų11482.4 Ų82.453%0.53340%0.398SS..Hα-helixtrans-62.2-48176.9-173.4175.2-168.100111.5M164 Q165 Y170 K171 A172M164-E168 WeakPolarHBondContact O-CB 3.3Å; M164-E168 PolarHBondContact O-N 3.45Å; Q165-E168 PolarHBondContact NE2-OE2 3.3Å; Q165-E168 VanDerWaalsContact NE2-OE2 3.15Å; Q165-E168 PolarHBondContact O-N 3.34Å; E168-Y170 VanDerWaalsContact C-N 3.31Å; E168-Y170 PolarHBondContact O-N 3.4Å; E168-K171 PolarHBondContact O-N 3.04Å; E168-A172 PolarHBondContact O-N 3.15Å
169Q91.7Very high91.6Very high73 Ų7378.6 Ų78.634%0.34139%0.385SS..Hα-helixtrans-61.8-38.4175.4-71.4-176.719.700112.6K131 Q165 G173K131-Q169 HydrophobicContact CD-CB 3.87Å; Q165-Q169 WeakPolarHBondContact O-CB 3.35Å; Q165-Q169 WeakPolarHBondContact O-CG 3.46Å; Q165-Q169 PolarHBondContact O-N 3.17Å; Q169-G173 PolarHBondContact O-N 2.9Å
170Y90.3Very high91.3Very high71 Ų7181.5 Ų81.528%0.27840%0.402SS..Hα-helixtrans-63.7-43.1176178.4-107.8000111.9I134 R135 A166 T167 E168 G173 R174I134-Y170 HydrophobicContact CG2-CD1 3.94Å; I134-Y170 HydrophobicContact CG2-CE1 4.29Å; I134-Y170 HydrophobicContact CG2-CG 4.15Å; R135-Y170 HydrophobicContact CB-CD2 4.24Å; R135-Y170 HydrophobicContact CB-CE2 3.76Å; R135-Y170 HydrophobicContact CG-CE2 4.02Å; A166-Y170 WeakPolarHBondContact O-CB 3.38Å; A166-Y170 PolarHBondContact O-N 3.14Å; T167-Y170 PolarHBondContact O-N 3.46Å; E168-Y170 VanDerWaalsContact C-N 3.31Å; E168-Y170 PolarHBondContact O-N 3.4Å; Y170-G173 PolarHBondContact O-N 3.15Å; Y170-R174 HydrophobicContact CE1-CG 4.49Å; Y170-R174 PolarHBondContact O-N 3.41Å
171K91.1Very high91Very high134 Ų13478.7 Ų78.758%0.58338%0.38SS*.Hα-helixtrans-61.7-51.7175.6-73.1174.6-179.5178.50111.1T167 E168 G173 R174T167-K171 HydrophobicContact CG2-CD 4.47Å; T167-K171 WeakPolarHBondContact O-CG 3.37Å; T167-K171 PolarHBondContact O-N 3.5Å; E168-K171 PolarHBondContact O-N 3.04Å; K171-G173 PolarHBondContact O-N 3.41Å; K171-R174 WeakPolarHBondContact O-CB 3.45Å; K171-R174 PolarHBondContact O-N 3.06Å
172A89.8Confident90.6Very high56 Ų5675.6 Ų75.646%0.46337%0.37SS..Hα-helixtrans-58.7-33.2178.300000112.9E168 R174 D175E168-A172 PolarHBondContact O-N 3.15Å; A172-R174 VanDerWaalsContact C-N 3.32Å; A172-R174 PolarHBondContact O-N 3.45Å; A172-D175 PolarHBondContact O-N 2.85Å
173G87.5Confident90.3Very high21 Ų2176.9 Ų76.922%0.21638%0.378CS..Hα-helixtrans-67.9-26.9174.400000114.1Q169 Y170 K171 D175 R176 R181Q169-G173 PolarHBondContact O-N 2.9Å; Y170-G173 PolarHBondContact O-N 3.15Å; K171-G173 PolarHBondContact O-N 3.41Å; G173-D175 VanDerWaalsContact C-N 3.31Å; G173-R176 PolarHBondContact O-N 2.81Å; G173-R181 PolarHBondContact O-NE 3.18Å
174R86.3Confident90.2Very high158 Ų15877.2 Ų77.260%0.59638%0.375SS*.Hα-helixtrans-72.5-24.2177.9-72.9-174.963.7176.5-1.1113.2Y170 K171 A172 R176 R181Y170-R174 HydrophobicContact CE1-CG 4.49Å; Y170-R174 PolarHBondContact O-N 3.41Å; K171-R174 WeakPolarHBondContact O-CB 3.45Å; K171-R174 PolarHBondContact O-N 3.06Å; A172-R174 VanDerWaalsContact C-N 3.32Å; A172-R174 PolarHBondContact O-N 3.45Å; R174-R176 VanDerWaalsContact C-N 3.29Å; R174-R181 PolarHBondContact O-NH2 3.37Å
175D88.3Confident89.9Confident145 Ų14573.8 Ų73.878%0.77536%0.359SS*.SBendtrans-78.2-17.7179.8-58.4-26.1000112.1A172 G173A172-D175 PolarHBondContact O-N 2.85Å; G173-D175 VanDerWaalsContact C-N 3.31Å
176R87.6Confident89.7Confident115 Ų11572.4 Ų72.443%0.43436%0.355SS..SBendtrans-74.7150.4175.2-61.1-173.1-178.1-171.70.9111.9G173 R174 R181 F184G173-R176 PolarHBondContact O-N 2.81Å; R174-R176 VanDerWaalsContact C-N 3.29Å; R176-R181 PolarHBondContact O-NH2 3.12Å; R176-F184 VanDerWaalsContact NH1-CD2 3.29Å
177N88.8Confident89.7Confident91 Ų9173.9 Ų73.949%0.48736%0.361SS..  trans-59.7162.1170.174.941.3000111A179 D180 R181N177-A179 VanDerWaalsContact C-N 3.35Å; N177-A179 PolarHBondContact O-N 3.3Å; N177-A179 PolarHBondContact OD1-N 3.36Å; N177-A179 VanDerWaalsContact OD1-N 3.15Å; N177-D180 VanDerWaalsContact CG-OD2 3.25Å; N177-D180 PolarHBondContact ND2-OD2 2.82Å; N177-D180 WeakPolarHBondContact OD1-CB 3.18Å; N177-D180 PolarHBondContact OD1-N 3.12Å; N177-D180 PolarHBondContact OD1-OD2 2.85Å; N177-R181 WeakPolarHBondContact O-CB 3.24Å; N177-R181 PolarHBondContact O-N 3.39Å; N177-R181 VanDerWaalsContact O-N 3.12Å
178K86.3Confident89.7Confident128 Ų12872.7 Ų72.756%0.55735%0.353SS*.Hα-helixtrans-64.1-37-174-173.3174.7176.7-177.60113.1V182K178-V182 VanDerWaalsContact O-CG2 3.3Å; K178-V182 WeakPolarHBondContact O-CG2 3.3Å; K178-V182 PolarHBondContact O-N 3.21Å
179A86.3Confident89.6Confident15 Ų1570.2 Ų70.212%0.12434%0.339CS..Hα-helixtrans-65.3-51.5-178.900000111.1T48 I50 N177 R181 V182 V183T48-A179 HydrophobicContact CG2-CB 3.65Å; I50-A179 HydrophobicContact CG1-CB 4.15Å; N177-A179 VanDerWaalsContact C-N 3.35Å; N177-A179 PolarHBondContact O-N 3.3Å; N177-A179 PolarHBondContact OD1-N 3.36Å; N177-A179 VanDerWaalsContact OD1-N 3.15Å; A179-R181 VanDerWaalsContact C-N 3.31Å; A179-R181 PolarHBondContact O-N 3.07Å; A179-V182 PolarHBondContact O-N 3.47Å; A179-V182 VanDerWaalsContact O-N 3.16Å; A179-V183 WeakPolarHBondContact O-CG2 3.46Å; A179-V183 PolarHBondContact O-N 2.9Å
180D87.5Confident89.7Confident84 Ų8467.2 Ų67.245%0.44933%0.326SS..Hα-helixtrans-64.7-37.1-178.3-65-21.2000111.6N177 V183 F184N177-D180 VanDerWaalsContact CG-OD2 3.25Å; N177-D180 PolarHBondContact ND2-OD2 2.82Å; N177-D180 WeakPolarHBondContact OD1-CB 3.18Å; N177-D180 PolarHBondContact OD1-N 3.12Å; N177-D180 PolarHBondContact OD1-OD2 2.85Å; D180-V183 PolarHBondContact O-N 2.88Å; D180-F184 VanDerWaalsContact O-CB 3.28Å; D180-F184 WeakPolarHBondContact O-CB 3.37Å; D180-F184 PolarHBondContact O-N 2.57Å
181R89Confident90Very high86 Ų8665.2 Ų65.233%0.32532%0.319SS..Hα-helixtrans-61.1-45.5174.4-168.2-175.4-52.1170.89.8111.7G173 R174 R176 N177 A179 F184 D185G173-R181 PolarHBondContact O-NE 3.18Å; R174-R181 PolarHBondContact O-NH2 3.37Å; R176-R181 PolarHBondContact O-NH2 3.12Å; N177-R181 WeakPolarHBondContact O-CB 3.24Å; N177-R181 PolarHBondContact O-N 3.39Å; N177-R181 VanDerWaalsContact O-N 3.12Å; A179-R181 VanDerWaalsContact C-N 3.31Å; A179-R181 PolarHBondContact O-N 3.07Å; R181-F184 PolarHBondContact O-N 3.3Å; R181-D185 WeakPolarHBondContact O-CB 3.14Å; R181-D185 PolarHBondContact O-N 3.24Å
182V87.9Confident90.1Very high45 Ų4559.3 Ų59.327%0.27329%0.293SS..Hα-helixtrans-64.5-43.1178.7169.90000111.3L45 I50 K178 A179 C186L45-V182 HydrophobicContact CD1-CG1 4.29Å; I50-V182 HydrophobicContact CD1-CB 4.03Å; I50-V182 HydrophobicContact CD1-CG1 3.81Å; K178-V182 VanDerWaalsContact O-CG2 3.3Å; K178-V182 WeakPolarHBondContact O-CG2 3.3Å; K178-V182 PolarHBondContact O-N 3.21Å; A179-V182 PolarHBondContact O-N 3.47Å; A179-V182 VanDerWaalsContact O-N 3.16Å; V182-C186 WeakPolarHBondContact O-CB 3.37Å; V182-C186 PolarHBondContact O-N 3.48Å; V182-C186 VanDerWaalsContact O-N 3.09Å; V182-C186 PolarHBondContact O-SG 2.86Å
183V90.2Very high90.2Very high29 Ų2957 Ų5718%0.17627%0.273CS..Hα-helixtrans-61.7-48.7176.8174.50000110.5I50 A179 D180 D185 C186 Q187I50-V183 HydrophobicContact CD1-CG2 4.39Å; I50-V183 HydrophobicContact CG2-CG2 3.36Å; A179-V183 WeakPolarHBondContact O-CG2 3.46Å; A179-V183 PolarHBondContact O-N 2.9Å; D180-V183 PolarHBondContact O-N 2.88Å; V183-D185 PolarHBondContact O-N 3.37Å; V183-C186 PolarHBondContact O-N 3.38Å; V183-C186 VanDerWaalsContact O-N 3.15Å; V183-Q187 HydrophobicContact CG1-CG 4.29Å; V183-Q187 WeakPolarHBondContact O-CG 3.49Å; V183-Q187 PolarHBondContact O-N 3.44Å
184F91.6Very high90.4Very high62 Ų6256.3 Ų56.327%0.27226%0.264SS..Hα-helixtrans-60.8-46-179.7-173.9-93.9000112.2R176 D180 R181 C186 Q187 E188R176-F184 VanDerWaalsContact NH1-CD2 3.29Å; D180-F184 VanDerWaalsContact O-CB 3.28Å; D180-F184 WeakPolarHBondContact O-CB 3.37Å; D180-F184 PolarHBondContact O-N 2.57Å; R181-F184 PolarHBondContact O-N 3.3Å; F184-C186 PolarHBondContact O-N 3.16Å; F184-Q187 PolarHBondContact O-N 3.43Å; F184-E188 WeakPolarHBondContact O-CB 3.31Å; F184-E188 PolarHBondContact O-N 3.3Å
185D89.9Confident90.7Very high30 Ų3050.1 Ų50.116%0.1624%0.243CC..Hα-helixtrans-59.3-36.2176.2-72.2-28.3000112.2R135 R181 V183 R189R135-D185 IonicContact CZ-OD2 3.22Å; R135-D185 VanDerWaalsContact NH1-CG 3.26Å; R135-D185 IonicContact NH1-OD1 2.92Å; R135-D185 IonicContact NH1-OD2 3.62Å; R135-D185 PolarHBondContact NH1-OD2 3.12Å; R135-D185 IonicContact NH2-OD2 2.7Å; R135-D185 PolarHBondContact NH2-OD2 3.31Å; R181-D185 WeakPolarHBondContact O-CB 3.14Å; R181-D185 PolarHBondContact O-N 3.24Å; V183-D185 PolarHBondContact O-N 3.37Å; D185-R189 VanDerWaalsContact O-CB 3.24Å; D185-R189 WeakPolarHBondContact O-CB 3.4Å; D185-R189 PolarHBondContact O-N 3.06Å; D185-R189 VanDerWaalsContact O-N 3.12Å; D185-R189 PolarHBondContact O-NH2 3.43Å
186C91.5Very high90.8Very high20 Ų2045.9 Ų45.914%0.13522%0.216CC..Hα-helixtrans-73.3-41.3176.5-72.90000112.4Y88 V182 V183 F184 R189 A190Y88-C186 HydrophobicContact CE2-CB 3.89Å; V182-C186 WeakPolarHBondContact O-CB 3.37Å; V182-C186 PolarHBondContact O-N 3.48Å; V182-C186 VanDerWaalsContact O-N 3.09Å; V182-C186 PolarHBondContact O-SG 2.86Å; V183-C186 PolarHBondContact O-N 3.38Å; V183-C186 VanDerWaalsContact O-N 3.15Å; F184-C186 PolarHBondContact O-N 3.16Å; C186-R189 PolarHBondContact O-N 2.98Å; C186-R189 PolarHBondContact SG-NH1 3.23Å; C186-A190 VanDerWaalsContact O-CB 3.32Å; C186-A190 WeakPolarHBondContact O-CB 3.3Å; C186-A190 PolarHBondContact O-N 3.1Å
187Q94.1Very high90.8Very high31 Ų3142.1 Ų42.115%0.14521%0.207CC..Hα-helixtrans-60.5-48.3176.3-76.7179.5-33.200111.5Y88 Q108 F112 V183 F184 A190 F191Y88-Q187 HydrophobicContact CE1-CG 3.84Å; Y88-Q187 VanDerWaalsContact OH-CG 3.32Å; Y88-Q187 WeakPolarHBondContact OH-CG 3.38Å; Q108-Q187 PolarHBondContact NE2-O 3.31Å; Q108-Q187 VanDerWaalsContact OE1-CB 3.3Å; F112-Q187 HydrophobicContact CD2-CB 4.12Å; F112-Q187 HydrophobicContact CE2-CB 4.08Å; V183-Q187 HydrophobicContact CG1-CG 4.29Å; V183-Q187 WeakPolarHBondContact O-CG 3.49Å; V183-Q187 PolarHBondContact O-N 3.44Å; F184-Q187 PolarHBondContact O-N 3.43Å; Q187-A190 PolarHBondContact O-N 2.94Å; Q187-F191 PolarHBondContact O-N 3.42Å
188E94Very high90.6Very high18 Ų1838.5 Ų38.58%0.08419%0.188CC..Hα-helixtrans-65.8-41.1178.9-172177.7-144.900111.5F112 Y128 K131 F184 F191 W192F112-E188 HydrophobicContact CE2-CB 4.41Å; F112-E188 HydrophobicContact CZ-CB 4.15Å; F112-E188 HydrophobicContact CZ-CG 4.3Å; Y128-E188 HydrophobicContact CD2-CG 3.71Å; Y128-E188 HydrophobicContact CE2-CG 3.91Å; K131-E188 WeakPolarHBondContact CE-OE2 3.49Å; K131-E188 IonicContact NZ-OE1 3.5Å; K131-E188 PolarHBondContact NZ-OE1 3.09Å; K131-E188 IonicContact NZ-OE2 3.47Å; K131-E188 PolarHBondContact NZ-OE2 3.05Å; F184-E188 WeakPolarHBondContact O-CB 3.31Å; F184-E188 PolarHBondContact O-N 3.3Å; E188-F191 WeakPolarHBondContact O-CB 3.24Å; E188-F191 PolarHBondContact O-N 2.99Å; E188-W192 PolarHBondContact O-N 3.21Å; E188-W192 VanDerWaalsContact O-N 3.14Å
189R92.8Very high90.3Very high63 Ų6341.2 Ų41.224%0.23820%0.195CC..Hα-helixtrans-61.1-46.3174.1-172.1-169.5-45.1107.914.1111.8D185 C186 F191 W192 I193D185-R189 VanDerWaalsContact O-CB 3.24Å; D185-R189 WeakPolarHBondContact O-CB 3.4Å; D185-R189 PolarHBondContact O-N 3.06Å; D185-R189 VanDerWaalsContact O-N 3.12Å; D185-R189 PolarHBondContact O-NH2 3.43Å; C186-R189 PolarHBondContact O-N 2.98Å; C186-R189 PolarHBondContact SG-NH1 3.23Å; R189-F191 VanDerWaalsContact C-N 3.32Å; R189-F191 PolarHBondContact O-N 2.72Å; R189-W192 PolarHBondContact O-N 2.87Å; R189-I193 HydrophobicContact CG-CD1 3.89Å; R189-I193 HydrophobicContact CG-CG1 4.47Å; R189-I193 VanDerWaalsContact O-CG1 3.31Å; R189-I193 WeakPolarHBondContact O-CG1 3.49Å; R189-I193 PolarHBondContact O-N 3.13Å
190A93.9Very high90Very high10 Ų1052.8 Ų52.88%0.08324%0.236CC..Hα-helixtrans-61.5-41.4179.700000111.9Y88 C186 Q187 W192 I193 V194Y88-A190 HydrophobicContact CD1-CB 3.97Å; Y88-A190 HydrophobicContact CD2-CB 4.01Å; Y88-A190 HydrophobicContact CG-CB 3.52Å; C186-A190 VanDerWaalsContact O-CB 3.32Å; C186-A190 WeakPolarHBondContact O-CB 3.3Å; C186-A190 PolarHBondContact O-N 3.1Å; Q187-A190 PolarHBondContact O-N 2.94Å; A190-W192 PolarHBondContact O-N 3Å; A190-I193 PolarHBondContact O-N 3.42Å; A190-V194 WeakPolarHBondContact O-CG2 3.28Å; A190-V194 PolarHBondContact O-N 3.39Å
191F95.1Very high89.6Confident28 Ų2851.3 Ų51.312%0.12323%0.23CC..Hα-helixtrans-57.5-47.5174.4171.3-100.9000112.2F112 P120 Q187 E188 R189 V194 N195F112-F191 HydrophobicContact CB-CB 4.09Å; F112-F191 HydrophobicContact CB-CD2 3.69Å; F112-F191 HydrophobicContact CB-CE2 4.41Å; F112-F191 HydrophobicContact CB-CG 4.16Å; F112-F191 HydrophobicContact CD1-CB 3.8Å; F112-F191 AromaticContact CD1-CD1 3.89Å; F112-F191 HydrophobicContact CD1-CD1 3.89Å; F112-F191 AromaticContact CD1-CD2 3.53Å; F112-F191 HydrophobicContact CD1-CD2 3.53Å; F112-F191 HydrophobicContact CD1-CE1 4.26Å; F112-F191 AromaticContact CD1-CE2 3.91Å; F112-F191 HydrophobicContact CD1-CE2 3.91Å; F112-F191 AromaticContact CD1-CG 3.46Å; F112-F191 HydrophobicContact CD1-CG 3.46Å; F112-F191 VanDerWaalsContact CD1-CG 3.46Å; F112-F191 HydrophobicContact CD1-CZ 4.22Å; F112-F191 HydrophobicContact CE1-CB 4.35Å; F112-F191 HydrophobicContact CE1-CD1 4.11Å; F112-F191 HydrophobicContact CE1-CE1 4.47Å; F112-F191 HydrophobicContact CE1-CG 4.09Å; F112-F191 HydrophobicContact CG-CB 3.91Å; F112-F191 AromaticContact CG-CD2 3.96Å; F112-F191 HydrophobicContact CG-CD2 3.96Å; F112-F191 AromaticContact CG-CG 4Å; F112-F191 HydrophobicContact CG-CG 4Å; F112-F191 WeakPolarHBondContact O-CD2 3.16Å; P120-F191 HydrophobicContact CB-CE1 4.18Å; P120-F191 HydrophobicContact CB-CZ 3.99Å; P120-F191 HydrophobicContact CG-CE1 3.93Å; P120-F191 HydrophobicContact CG-CE2 4.1Å; P120-F191 HydrophobicContact CG-CZ 3.34Å; Q187-F191 PolarHBondContact O-N 3.42Å; E188-F191 WeakPolarHBondContact O-CB 3.24Å; E188-F191 PolarHBondContact O-N 2.99Å; R189-F191 VanDerWaalsContact C-N 3.32Å; R189-F191 PolarHBondContact O-N 2.72Å; F191-V194 PolarHBondContact O-N 3.38Å; F191-N195 WeakPolarHBondContact CD2-ND2 3.44Å; F191-N195 WeakPolarHBondContact CE2-ND2 3.48Å; F191-N195 PolarHBondContact O-N 2.98Å; F191-N195 VanDerWaalsContact O-N 3.09Å; F191-N195 PolarHBondContact O-ND2 3.29Å
192W93.8Very high89.2Confident11 Ų1154.7 Ų54.74%0.04225%0.249CC..Hα-helixtrans-70.8-33.6179.9-74.3116.6000113.4P120 D124 Y125 Y128 E188 R189 A190 V194 N195 R196P120-W192 HydrophobicContact CB-CH2 3.62Å; P120-W192 HydrophobicContact CB-CZ3 3.68Å; D124-W192 VanDerWaalsContact C-CZ2 3.47Å; D124-W192 HydrophobicContact CB-CH2 3.84Å; D124-W192 HydrophobicContact CB-CZ2 3.88Å; Y125-W192 VanDerWaalsContact CA-CH2 3.42Å; Y125-W192 AromaticContact CD2-CD2 3.5Å; Y125-W192 HydrophobicContact CD2-CD2 3.5Å; Y125-W192 VanDerWaalsContact CD2-CD2 3.5Å; Y125-W192 AromaticContact CD2-CE3 3.31Å; Y125-W192 HydrophobicContact CD2-CE3 3.31Å; Y125-W192 HydrophobicContact CD2-CG 4.05Å; Y125-W192 HydrophobicContact CD2-CH2 4.2Å; Y125-W192 HydrophobicContact CD2-CZ2 4.35Å; Y125-W192 AromaticContact CD2-CZ3 3.7Å; Y125-W192 HydrophobicContact CD2-CZ3 3.7Å; Y125-W192 HydrophobicContact CE2-CB 4.28Å; Y125-W192 HydrophobicContact CE2-CD2 4.1Å; Y125-W192 HydrophobicContact CE2-CE3 4Å; Y125-W192 HydrophobicContact CE2-CG 4.23Å; Y125-W192 HydrophobicContact CG-CD2 4.45Å; Y125-W192 AromaticContact CG-CE3 3.93Å; Y125-W192 HydrophobicContact CG-CE3 3.93Å; Y125-W192 HydrophobicContact CG-CH2 4.28Å; Y125-W192 AromaticContact CG-CZ3 3.85Å; Y125-W192 HydrophobicContact CG-CZ3 3.85Å; Y125-W192 VanDerWaalsContact N-CH2 3.25Å; Y128-W192 VanDerWaalsContact CB-NE1 3.34Å; Y128-W192 HydrophobicContact CD1-CB 4.27Å; Y128-W192 AromaticContact CD1-CD1 3.35Å; Y128-W192 HydrophobicContact CD1-CD2 4.31Å; Y128-W192 AromaticContact CD1-CG 3.72Å; Y128-W192 HydrophobicContact CD1-CG 3.72Å; Y128-W192 AromaticContact CD1-NE1 3.74Å; Y128-W192 AromaticContact CD2-CD1 3.48Å; Y128-W192 VanDerWaalsContact CD2-CD1 3.48Å; Y128-W192 AromaticContact CD2-NE1 3.7Å; Y128-W192 HydrophobicContact CE1-CB 3.91Å; Y128-W192 AromaticContact CE1-CD1 3.61Å; Y128-W192 AromaticContact CE1-CG 3.84Å; Y128-W192 HydrophobicContact CE1-CG 3.84Å; Y128-W192 AromaticContact CE2-CD1 3.73Å; Y128-W192 AromaticContact CG-CD1 3.26Å; Y128-W192 HydrophobicContact CG-CG 4.07Å; Y128-W192 AromaticContact CG-NE1 3.3Å; Y128-W192 VanDerWaalsContact CG-NE1 3.3Å; Y128-W192 AromaticContact CZ-CD1 3.77Å; E188-W192 PolarHBondContact O-N 3.21Å; E188-W192 VanDerWaalsContact O-N 3.14Å; R189-W192 PolarHBondContact O-N 2.87Å; A190-W192 PolarHBondContact O-N 3Å; W192-V194 PolarHBondContact O-N 3.17Å; W192-N195 HydrophobicContact CE3-CB 4.42Å; W192-N195 PolarHBondContact O-N 3.08Å; W192-R196 HydrophobicContact CE3-CB 4.49Å; W192-R196 HydrophobicContact CE3-CG 3.9Å; W192-R196 HydrophobicContact CZ3-CG 4.11Å; W192-R196 CarbonylContact O-C 3.59Å; W192-R196 WeakPolarHBondContact O-CA 3.18Å; W192-R196 WeakPolarHBondContact O-CB 3.3Å; W192-R196 PolarHBondContact O-N 3.44Å
193I91.9Very high89.1Confident6 Ų654 Ų543%0.03125%0.246CC..Hα-helixtrans-62.2-34.2174.2-70.6169.9000111.4H93 L96 R189 A190 P197H93-I193 HydrophobicContact CB-CD1 3.84Å; H93-I193 VanDerWaalsContact ND1-CD1 3.27Å; H93-I193 WeakPolarHBondContact ND1-CD1 3.49Å; H93-I193 WeakPolarHBondContact O-CD1 3.38Å; L96-I193 HydrophobicContact CD1-CG2 4.22Å; L96-I193 HydrophobicContact CD2-CG2 3.94Å; L96-I193 HydrophobicContact CG-CG2 4.24Å; R189-I193 HydrophobicContact CG-CD1 3.89Å; R189-I193 HydrophobicContact CG-CG1 4.47Å; R189-I193 VanDerWaalsContact O-CG1 3.31Å; R189-I193 WeakPolarHBondContact O-CG1 3.49Å; R189-I193 PolarHBondContact O-N 3.13Å; A190-I193 PolarHBondContact O-N 3.42Å; I193-P197 WeakPolarHBondContact O-CA 3.27Å; I193-P197 VanDerWaalsContact O-CB 3.31Å; I193-P197 WeakPolarHBondContact O-CB 3.5Å
194V92.4Very high89Confident7 Ų753.6 Ų53.64%0.04225%0.245CC..Hα-helixtrans-76.8-40.6177.5173.40000111.8A83 L96 A190 F191 W192 L205A83-V194 WeakPolarHBondContact O-CG1 3.47Å; L96-V194 HydrophobicContact CD1-CG2 4.19Å; L96-V194 HydrophobicContact CD2-CG2 4.35Å; A190-V194 WeakPolarHBondContact O-CG2 3.28Å; A190-V194 PolarHBondContact O-N 3.39Å; F191-V194 PolarHBondContact O-N 3.38Å; W192-V194 PolarHBondContact O-N 3.17Å; V194-L205 HydrophobicContact CG1-CD1 3.72Å; V194-L205 HydrophobicContact CG1-CG 3.98Å
195N91.5Very high88.8Confident29 Ų2952 Ų5216%0.15524%0.239CC..Hα-helixtrans-87.6-21.2-175-74.1-82.7000114.8P120 F191 W192 L205P120-N195 WeakPolarHBondContact CD-OD1 3.28Å; P120-N195 HydrophobicContact CG-CB 4Å; P120-N195 WeakPolarHBondContact CG-OD1 3.42Å; F191-N195 WeakPolarHBondContact CD2-ND2 3.44Å; F191-N195 WeakPolarHBondContact CE2-ND2 3.48Å; F191-N195 PolarHBondContact O-N 2.98Å; F191-N195 VanDerWaalsContact O-N 3.09Å; F191-N195 PolarHBondContact O-ND2 3.29Å; W192-N195 HydrophobicContact CE3-CB 4.42Å; W192-N195 PolarHBondContact O-N 3.08Å; N195-L205 VanDerWaalsContact OD1-CD1 3.32Å; N195-L205 WeakPolarHBondContact OD1-CD1 3.07Å
196R90.3Very high88.7Confident56 Ų5656.1 Ų56.121%0.21126%0.261CS..SBendtrans-139.266.8176.4-64.7-64-174.7-75-3.4108.1P120 D122 Y125 W192P120-R196 PolarHBondContact O-NH2 2.86Å; D122-R196 IonicContact OD1-CZ 3.7Å; D122-R196 IonicContact OD1-NE 2.75Å; D122-R196 IonicContact OD1-NH2 2.64Å; D122-R196 PolarHBondContact OD1-NH2 3.44Å; Y125-R196 HydrophobicContact CD1-CG 3.92Å; Y125-R196 HydrophobicContact CD2-CG 4.18Å; Y125-R196 HydrophobicContact CE1-CB 4.15Å; Y125-R196 HydrophobicContact CE1-CG 3.96Å; Y125-R196 HydrophobicContact CE2-CB 4.15Å; Y125-R196 HydrophobicContact CE2-CG 4.21Å; Y125-R196 HydrophobicContact CG-CG 4.06Å; W192-R196 HydrophobicContact CE3-CB 4.49Å; W192-R196 HydrophobicContact CE3-CG 3.9Å; W192-R196 HydrophobicContact CZ3-CG 4.11Å; W192-R196 CarbonylContact O-C 3.59Å; W192-R196 WeakPolarHBondContact O-CA 3.18Å; W192-R196 WeakPolarHBondContact O-CB 3.3Å; W192-R196 PolarHBondContact O-N 3.44Å
197P88Confident88.4Confident36 Ų3657.4 Ų57.423%0.23427%0.269CS..PPolyproline II helixtrans-66151.4-175.127.7-34.5000111.7I193 T201I193-P197 WeakPolarHBondContact O-CA 3.27Å; I193-P197 VanDerWaalsContact O-CB 3.31Å; I193-P197 WeakPolarHBondContact O-CB 3.5Å; P197-T201 HydrophobicContact CB-CG2 4.11Å
198P85.2Confident88.1Confident15 Ų1557.9 Ų57.910%0.09728%0.282CS..PPolyproline II helixtrans-52.2151.6172.3-24.232.8000111.7Y143 R200 T201Y143-P198 HydrophobicContact CD1-CB 4.32Å; Y143-P198 HydrophobicContact CE1-CB 3.97Å; Y143-P198 HydrophobicContact CE1-CG 3.91Å; P198-R200 PolarHBondContact O-N 3.46Å; P198-T201 VanDerWaalsContact O-CB 3.32Å; P198-T201 WeakPolarHBondContact O-CB 3.48Å; P198-T201 PolarHBondContact O-N 3.4Å; P198-T201 PolarHBondContact O-OG1 3.3Å
199R79.6Confident87.8Confident184 Ų18461.5 Ų61.569%0.69431%0.307SS*.THydrogen-bonded Turntrans-54.1135.7177.5-64.5-176.7178.7-122-1.7110.1T201R199-T201 VanDerWaalsContact C-N 3.3Å
200R79Confident87.6Confident259 Ų25961.1 Ų61.198%0.97731%0.308SS*.THydrogen-bonded Turntrans72.710.2-177.1-49.5177.4176.4-176.9-2.3115.6P198P198-R200 PolarHBondContact O-N 3.46Å
201T79.9Confident87.4Confident53 Ų5367.2 Ų67.233%0.32533%0.329SS..PPolyproline II helixtrans-92131.2167.1-58.30000109.9P197 P198 R199 S203P197-T201 HydrophobicContact CB-CG2 4.11Å; P198-T201 VanDerWaalsContact O-CB 3.32Å; P198-T201 WeakPolarHBondContact O-CB 3.48Å; P198-T201 PolarHBondContact O-N 3.4Å; P198-T201 PolarHBondContact O-OG1 3.3Å; R199-T201 VanDerWaalsContact C-N 3.3Å; T201-S203 PolarHBondContact O-N 2.95Å
202H80.7Confident87.1Confident157 Ų15772 Ų7273%0.72736%0.355SS*.PPolyproline II helixtrans-68126.9175.1178.7-83.5000110.3
203S86.8Confident86.8Confident30 Ų3076.6 Ų76.621%0.2138%0.379CS..PPolyproline II helixtrans-87122.2174.7-172.90000110.3T201 L205 D206T201-S203 PolarHBondContact O-N 2.95Å; S203-L205 PolarHBondContact O-N 2.96Å; S203-L205 PolarHBondContact OG-N 3.36Å; S203-D206 PolarHBondContact O-N 2.9Å
204A87.1Confident86.7Confident20 Ų2078.3 Ų78.317%0.16539%0.389CS..THydrogen-bonded Turntrans-67.3-12.6170.100000113.1A83 Y84A83-A204 HydrophobicContact CB-CB 3.78Å; A83-A204 WeakPolarHBondContact O-CB 3.42Å; Y84-A204 HydrophobicContact CD1-CB 4.45Å; Y84-A204 HydrophobicContact CD2-CB 4.41Å; Y84-A204 HydrophobicContact CE1-CB 4.46Å; Y84-A204 WeakPolarHBondContact CE1-O 3.47Å; Y84-A204 HydrophobicContact CE2-CB 4.4Å; Y84-A204 HydrophobicContact CG-CB 4.42Å
205L87.8Confident86.6Confident28 Ų2878.9 Ų78.915%0.14739%0.393CS..THydrogen-bonded Turntrans-92.61.6177.2-58.6-175.7000113.1R15 Y84 P114 V194 N195 S203 V207R15-L205 PolarHBondContact NH2-O 3.49Å; Y84-L205 HydrophobicContact CD1-CD2 3.78Å; Y84-L205 HydrophobicContact CE1-CD2 4.17Å; P114-L205 HydrophobicContact CB-CD2 3.9Å; V194-L205 HydrophobicContact CG1-CD1 3.72Å; V194-L205 HydrophobicContact CG1-CG 3.98Å; N195-L205 VanDerWaalsContact OD1-CD1 3.32Å; N195-L205 WeakPolarHBondContact OD1-CD1 3.07Å; S203-L205 PolarHBondContact O-N 2.96Å; S203-L205 PolarHBondContact OG-N 3.36Å; L205-V207 PolarHBondContact O-N 3.45Å
206D88.2Confident86.4Confident117 Ų11780.9 Ų80.963%0.62640%0.403SS*.  trans-68.7115.9168.8-170-2.7000109.5S203 G208S203-D206 PolarHBondContact O-N 2.9Å; D206-G208 PolarHBondContact OD1-N 2.73Å
207V84.7Confident86.3Confident47 Ų4782.2 Ų82.229%0.28542%0.417SS..  trans-105.28.7-176.1-66.50000112.3P16 T18 L205P16-V207 HydrophobicContact CG-CB 3.67Å; P16-V207 HydrophobicContact CG-CG1 4.38Å; P16-V207 HydrophobicContact CG-CG2 3.94Å; T18-V207 HydrophobicContact CG2-CG1 4.05Å; L205-V207 PolarHBondContact O-N 3.45Å
208G87.4Confident86.3Confident41 Ų4189.6 Ų89.642%0.42345%0.449SS..  trans67.3-152.2-174.600000112.5D206D206-G208 PolarHBondContact OD1-N 2.73Å
209P87.8Confident86.2Confident95 Ų9594.5 Ų94.562%0.61747%0.47SS*.SBendtrans-61.6141.9-178.3-23.333.6000113.4
210E89Confident86.7Confident55 Ų5595 Ų9526%0.25748%0.478SS..PPolyproline II helixtrans-66163.7171.7-68173.5-143.600110.9R10 Q12 R13 F14R10-E210 IonicContact NH1-OE1 2.89Å; R10-E210 PolarHBondContact NH1-OE1 2.71Å; Q12-E210 HydrophobicContact CB-CB 3.71Å; Q12-E210 WeakPolarHBondContact CB-O 3.07Å; Q12-E210 WeakPolarHBondContact CG-O 3.35Å; Q12-E210 PolarHBondContact OE1-O 3.14Å; Q12-E210 VanDerWaalsContact OE1-O 3.09Å; R13-E210 VanDerWaalsContact C-OE2 3.31Å; R13-E210 WeakPolarHBondContact CA-OE2 3.39Å; F14-E210 CarbonylContact O-C 3.59Å
211R88.7Confident87.2Confident137 Ų13787.5 Ų87.552%0.51746%0.456SS..BIsolated β-bridgetrans-96.2145.8178.7-55.8-56.6-175-172.7-5.3110.6R13 F14 P16 I213R13-R211 PolarHBondContact N-O 3.4Å; F14-R211 HydrophobicContact CB-CB 4.41Å; F14-R211 PolarHBondContact N-O 3.07Å; F14-R211 WeakPolarHBondContact O-CA 3.36Å; F14-R211 WeakPolarHBondContact O-CB 3.43Å; F14-R211 PolarHBondContact O-N 3.28Å; P16-R211 HydrophobicContact CB-CG 4.12Å; R211-I213 WeakPolarHBondContact CB-O 3.24Å
212L88.8Confident87.9Confident129 Ų12988.5 Ų88.568%0.67546%0.462SS*.SBendtrans-71.5-39.7170.9179.964.2000111.5G11 F14G11-L212 WeakPolarHBondContact O-CD1 3.35Å; F14-L212 VanDerWaalsContact CD2-O 3.3Å; F14-L212 WeakPolarHBondContact CD2-O 3.42Å; F14-L212 VanDerWaalsContact CE2-O 3.28Å; F14-L212 WeakPolarHBondContact CE2-O 3.45Å
213I87.6Confident88.6Confident108 Ų10889.3 Ų89.355%0.55446%0.464SS*.SBendtrans-100.7134.5-178.7-60.9171.5000108.9R211 P215R211-I213 WeakPolarHBondContact CB-O 3.24Å; I213-P215 VanDerWaalsContact O-CD 3.26Å; I213-P215 WeakPolarHBondContact O-CD 3.27Å
214N89.6Confident89.1Confident42 Ų4290.3 Ų90.323%0.22547%0.467CS..  trans-72.2115.1177.8-170.5-16.2000110.2F14 N216 V217F14-N214 HydrophobicContact CB-CB 4.31Å; F14-N214 HydrophobicContact CD1-CB 3.52Å; F14-N214 HydrophobicContact CD2-CB 3.82Å; F14-N214 VanDerWaalsContact CD2-N 3.31Å; F14-N214 HydrophobicContact CE1-CB 3.65Å; F14-N214 HydrophobicContact CE2-CB 3.93Å; F14-N214 HydrophobicContact CG-CB 3.6Å; F14-N214 HydrophobicContact CZ-CB 3.85Å; N214-N216 PolarHBondContact O-N 3.3Å; N214-N216 VanDerWaalsContact O-N 3.16Å; N214-N216 WeakPolarHBondContact OD1-CB 3.41Å; N214-N216 PolarHBondContact OD1-N 3Å; N214-V217 HydrophobicContact CB-CB 4.17Å; N214-V217 HydrophobicContact CB-CG2 3.76Å; N214-V217 VanDerWaalsContact ND2-CG2 3.31Å; N214-V217 WeakPolarHBondContact ND2-CG2 3.42Å; N214-V217 PolarHBondContact O-N 2.99Å
215P90.1Very high89.4Confident19 Ų1992.7 Ų92.712%0.12347%0.474CS..THydrogen-bonded Turntrans-70-11.4-179.528.2-34.5000114.4R15 R17 I213R15-P215 VanDerWaalsContact O-CG 3.25Å; R15-P215 WeakPolarHBondContact O-CG 3.47Å; R17-P215 HydrophobicContact CG-CB 3.43Å; R17-P215 VanDerWaalsContact CG-CB 3.43Å; R17-P215 HydrophobicContact CG-CG 4.05Å; R17-P215 PolarHBondContact NE-O 2.78Å; R17-P215 PolarHBondContact NH2-O 2.71Å; I213-P215 VanDerWaalsContact O-CD 3.26Å; I213-P215 WeakPolarHBondContact O-CD 3.27Å
216N87.9Confident89.8Confident70 Ų7097.2 Ų97.237%0.37449%0.49SS..THydrogen-bonded Turntrans-102.8-1.7-175.7-56.5-38.8000113.1Q116 Q117 N214Q116-N216 PolarHBondContact NE2-ND2 3.35Å; Q116-N216 PolarHBondContact NE2-OD1 3.02Å; Q117-N216 PolarHBondContact NE2-ND2 3.28Å; N214-N216 PolarHBondContact O-N 3.3Å; N214-N216 VanDerWaalsContact O-N 3.16Å; N214-N216 WeakPolarHBondContact OD1-CB 3.41Å; N214-N216 PolarHBondContact OD1-N 3Å
217V89.4Confident90.2Very high85 Ų8598.3 Ų98.352%0.51549%0.486SS..SBendtrans-89.9132.8178.2167.60000109.1N214 E219N214-V217 HydrophobicContact CB-CB 4.17Å; N214-V217 HydrophobicContact CB-CG2 3.76Å; N214-V217 VanDerWaalsContact ND2-CG2 3.31Å; N214-V217 WeakPolarHBondContact ND2-CG2 3.42Å; N214-V217 PolarHBondContact O-N 2.99Å; V217-E219 PolarHBondContact O-N 3.49Å
218E86.1Confident90.8Very high190 Ų190104 Ų10489%0.88850%0.502SS*.  trans-76.6110.4164.9-68.3-177.1177.100108.6
219E84.9Confident91.2Very high119 Ų119105.2 Ų105.256%0.55650%0.501SS*.PPolyproline II helixtrans-75130.6175.2-71.2-175.2-175.600110.1V217 I221V217-E219 PolarHBondContact O-N 3.49Å; E219-I221 PolarHBondContact O-N 3.44Å
220K88.6Confident91.7Very high195 Ų195105 Ų10585%0.84850%0.495SS*.PPolyproline II helixtrans-71.4123.6170.1-68-175.4178.7-177.60108.8T222K220-T222 PolarHBondContact O-N 3.25Å
221I90.2Very high92.1Very high100 Ų100105.7 Ų105.751%0.51350%0.499SS..PPolyproline II helixtrans-69.4124-179.5-52.5176.7000109.3E219 Q225 Y226E219-I221 PolarHBondContact O-N 3.44Å; I221-Q225 HydrophobicContact CG2-CB 3.94Å; I221-Y226 HydrophobicContact CB-CD2 4.46Å; I221-Y226 HydrophobicContact CB-CE2 3.76Å; I221-Y226 HydrophobicContact CG2-CD1 4.23Å; I221-Y226 HydrophobicContact CG2-CD2 3.62Å; I221-Y226 HydrophobicContact CG2-CE1 4Å; I221-Y226 HydrophobicContact CG2-CE2 3.35Å; I221-Y226 HydrophobicContact CG2-CG 4.05Å
222T95Very high92.5Very high74 Ų74104.9 Ų104.945%0.45450%0.5SS..PPolyproline II helixtrans-87.5158.2178.761.70000111.5K220 D224 Q225 Y226K220-T222 PolarHBondContact O-N 3.25Å; T222-D224 VanDerWaalsContact C-N 3.26Å; T222-D224 PolarHBondContact O-N 3.09Å; T222-Q225 WeakPolarHBondContact O-CB 3.33Å; T222-Q225 PolarHBondContact O-N 3.22Å; T222-Q225 VanDerWaalsContact O-N 3.12Å; T222-Q225 WeakPolarHBondContact OG1-CG 3.49Å; T222-Q225 PolarHBondContact OG1-N 3.12Å; T222-Q225 PolarHBondContact OG1-OE1 3.01Å; T222-Y226 WeakPolarHBondContact O-CD2 3.5Å; T222-Y226 PolarHBondContact O-N 3.15Å; T222-Y226 VanDerWaalsContact O-N 3.08Å
223F95.8Very high92.9Very high174 Ų174105.2 Ų105.276%0.76349%0.493SS*.Hα-helixtrans-54.9-41.4173.5175.4-97.5000112.5Q225 Y226 R227F223-Q225 VanDerWaalsContact C-N 3.33Å; F223-Q225 PolarHBondContact O-N 3.08Å; F223-Y226 PolarHBondContact O-N 3.33Å; F223-R227 PolarHBondContact O-N 2.96Å
224D95.7Very high93.4Very high52 Ų52106.3 Ų106.328%0.27850%0.496SS..Hα-helixtrans-64.7-36.9178.4-17162.2000112.1T222 R227 R228T222-D224 VanDerWaalsContact C-N 3.26Å; T222-D224 PolarHBondContact O-N 3.09Å; D224-R227 WeakPolarHBondContact O-CB 3.35Å; D224-R227 PolarHBondContact O-N 3.22Å; D224-R227 IonicContact OD1-NH1 2.84Å; D224-R227 PolarHBondContact OD1-NH1 2.7Å; D224-R228 WeakPolarHBondContact O-CG 3.27Å; D224-R228 PolarHBondContact O-N 3.05Å; D224-R228 IonicContact OD2-CZ 2.98Å; D224-R228 IonicContact OD2-NE 3.77Å; D224-R228 PolarHBondContact OD2-NE 2.92Å; D224-R228 IonicContact OD2-NH2 3.4Å; D224-R228 PolarHBondContact OD2-NH2 3.4Å
225Q93.8Very high93.8Very high69 Ų69109.6 Ų109.632%0.32251%0.51SS..Hα-helixtrans-62.7-46.5172.8-76.5168.1-33.700111.4I221 T222 F223 R227 R228 V229I221-Q225 HydrophobicContact CG2-CB 3.94Å; T222-Q225 WeakPolarHBondContact O-CB 3.33Å; T222-Q225 PolarHBondContact O-N 3.22Å; T222-Q225 VanDerWaalsContact O-N 3.12Å; T222-Q225 WeakPolarHBondContact OG1-CG 3.49Å; T222-Q225 PolarHBondContact OG1-N 3.12Å; T222-Q225 PolarHBondContact OG1-OE1 3.01Å; F223-Q225 VanDerWaalsContact C-N 3.33Å; F223-Q225 PolarHBondContact O-N 3.08Å; Q225-R227 VanDerWaalsContact C-N 3.32Å; Q225-R227 PolarHBondContact O-N 3.19Å; Q225-R228 PolarHBondContact O-N 3.03Å; Q225-V229 WeakPolarHBondContact O-CB 3.21Å; Q225-V229 VanDerWaalsContact O-CG2 3.25Å; Q225-V229 WeakPolarHBondContact O-CG2 3.41Å; Q225-V229 PolarHBondContact O-N 2.96Å
226Y96.1Very high94.1Very high123 Ų123110 Ų11048%0.48252%0.515SS..Hα-helixtrans-57.7-44.5174.2-78.3-66000112.2I221 T222 F223 R228 V229 N230I221-Y226 HydrophobicContact CB-CD2 4.46Å; I221-Y226 HydrophobicContact CB-CE2 3.76Å; I221-Y226 HydrophobicContact CG2-CD1 4.23Å; I221-Y226 HydrophobicContact CG2-CD2 3.62Å; I221-Y226 HydrophobicContact CG2-CE1 4Å; I221-Y226 HydrophobicContact CG2-CE2 3.35Å; I221-Y226 HydrophobicContact CG2-CG 4.05Å; T222-Y226 WeakPolarHBondContact O-CD2 3.5Å; T222-Y226 PolarHBondContact O-N 3.15Å; T222-Y226 VanDerWaalsContact O-N 3.08Å; F223-Y226 PolarHBondContact O-N 3.33Å; Y226-R228 PolarHBondContact O-N 2.69Å; Y226-V229 PolarHBondContact O-N 3.42Å; Y226-N230 WeakPolarHBondContact O-CB 3.44Å; Y226-N230 VanDerWaalsContact O-CG 3.27Å; Y226-N230 PolarHBondContact O-N 3.32Å; Y226-N230 PolarHBondContact O-ND2 2.63Å
227R97.2Very high94.6Very high140 Ų140113 Ų11353%0.52853%0.53SS..Hα-helixtrans-57.6-47.6176176-175.3159.7-1404.1111.8F223 D224 Q225 N230 I231F223-R227 PolarHBondContact O-N 2.96Å; D224-R227 WeakPolarHBondContact O-CB 3.35Å; D224-R227 PolarHBondContact O-N 3.22Å; D224-R227 IonicContact OD1-NH1 2.84Å; D224-R227 PolarHBondContact OD1-NH1 2.7Å; Q225-R227 VanDerWaalsContact C-N 3.32Å; Q225-R227 PolarHBondContact O-N 3.19Å; R227-N230 PolarHBondContact O-N 2.99Å; R227-I231 HydrophobicContact CG-CD1 4.15Å; R227-I231 WeakPolarHBondContact O-CG1 3.46Å; R227-I231 PolarHBondContact O-N 2.77Å
228R97.1Very high94.9Very high167 Ų167116.6 Ų116.663%0.6354%0.543SS*.Hα-helixtrans-63.6-42.1177.8-69.7178.8-162.9-160.14.2112.3D224 Q225 Y226 N230 I231 F232D224-R228 WeakPolarHBondContact O-CG 3.27Å; D224-R228 PolarHBondContact O-N 3.05Å; D224-R228 IonicContact OD2-CZ 2.98Å; D224-R228 IonicContact OD2-NE 3.77Å; D224-R228 PolarHBondContact OD2-NE 2.92Å; D224-R228 IonicContact OD2-NH2 3.4Å; D224-R228 PolarHBondContact OD2-NH2 3.4Å; Q225-R228 PolarHBondContact O-N 3.03Å; Y226-R228 PolarHBondContact O-N 2.69Å; R228-N230 VanDerWaalsContact C-N 3.34Å; R228-I231 PolarHBondContact O-N 3.26Å; R228-F232 PolarHBondContact O-N 3.42Å
229V96.6Very high95.5Very high66 Ų66115.7 Ų115.740%0.453%0.531SS..Hα-helixtrans-61.6-43.4176.9169.20000110.7Q225 Y226 F232 Y233Q225-V229 WeakPolarHBondContact O-CB 3.21Å; Q225-V229 VanDerWaalsContact O-CG2 3.25Å; Q225-V229 WeakPolarHBondContact O-CG2 3.41Å; Q225-V229 PolarHBondContact O-N 2.96Å; Y226-V229 PolarHBondContact O-N 3.42Å; V229-F232 WeakPolarHBondContact O-CB 3.46Å; V229-F232 PolarHBondContact O-N 2.82Å; V229-Y233 HydrophobicContact CG1-CD2 3.58Å; V229-Y233 HydrophobicContact CG1-CE2 3.22Å; V229-Y233 WeakPolarHBondContact O-CD2 3.18Å; V229-Y233 PolarHBondContact O-N 3.16Å
230N97.2Very high96Very high91 Ų91116 Ų11649%0.48755%0.546SS..Hα-helixtrans-62.8-45.4176-73.1-17.5000112.1Y226 R227 R228 F232 Y233 Q234Y226-N230 WeakPolarHBondContact O-CB 3.44Å; Y226-N230 VanDerWaalsContact O-CG 3.27Å; Y226-N230 PolarHBondContact O-N 3.32Å; Y226-N230 PolarHBondContact O-ND2 2.63Å; R227-N230 PolarHBondContact O-N 2.99Å; R228-N230 VanDerWaalsContact C-N 3.34Å; N230-F232 VanDerWaalsContact C-N 3.3Å; N230-F232 PolarHBondContact O-N 3.25Å; N230-Y233 PolarHBondContact O-N 3.31Å; N230-Q234 WeakPolarHBondContact O-CB 3.26Å; N230-Q234 VanDerWaalsContact O-CG 3.32Å; N230-Q234 WeakPolarHBondContact O-CG 3.39Å; N230-Q234 PolarHBondContact O-N 2.77Å
231I97.5Very high96.4Very high69 Ų69115.3 Ų115.335%0.35454%0.543SS..Hα-helixtrans-58.1-45.1175.1-68.4165.5000110.5R227 R228 Y233 Q234 Q235R227-I231 HydrophobicContact CG-CD1 4.15Å; R227-I231 WeakPolarHBondContact O-CG1 3.46Å; R227-I231 PolarHBondContact O-N 2.77Å; R228-I231 PolarHBondContact O-N 3.26Å; I231-Y233 PolarHBondContact O-N 3.2Å; I231-Q234 PolarHBondContact O-N 3.02Å; I231-Q235 WeakPolarHBondContact O-CG 3.45Å; I231-Q235 PolarHBondContact O-N 2.91Å
232F97.9Very high96.8Very high121 Ų121115.6 Ų115.653%0.53155%0.55SS..Hα-helixtrans-58.6-48.5177.3170.3-96.6000111.8R228 V229 N230 Q235 A236R228-F232 PolarHBondContact O-N 3.42Å; V229-F232 WeakPolarHBondContact O-CB 3.46Å; V229-F232 PolarHBondContact O-N 2.82Å; N230-F232 VanDerWaalsContact C-N 3.3Å; N230-F232 PolarHBondContact O-N 3.25Å; F232-Q235 PolarHBondContact O-N 3.36Å; F232-A236 WeakPolarHBondContact O-CB 3.31Å; F232-A236 PolarHBondContact O-N 3.4Å
233Y97.9Very high96.9Very high135 Ų135119.8 Ų119.853%0.52956%0.562SS.*Hα-helixtrans-66.6-41.1-179.4-74.2-54.7000112.8V229 N230 I231 Q235 A236 I237V229-Y233 HydrophobicContact CG1-CD2 3.58Å; V229-Y233 HydrophobicContact CG1-CE2 3.22Å; V229-Y233 WeakPolarHBondContact O-CD2 3.18Å; V229-Y233 PolarHBondContact O-N 3.16Å; N230-Y233 PolarHBondContact O-N 3.31Å; I231-Y233 PolarHBondContact O-N 3.2Å; Y233-Q235 VanDerWaalsContact C-N 3.31Å; Y233-Q235 PolarHBondContact O-N 3.42Å; Y233-A236 PolarHBondContact O-N 3.36Å; Y233-I237 WeakPolarHBondContact O-CD1 3.42Å; Y233-I237 VanDerWaalsContact O-CG1 3.25Å; Y233-I237 WeakPolarHBondContact O-CG1 3.47Å; Y233-I237 PolarHBondContact O-N 3.12Å
234Q97.6Very high97Very high132 Ų132115.5 Ų115.562%0.61755%0.553SS**Hα-helixtrans-56.8-46.8174.4-74.7175.7-14.600111N230 I231 M238N230-Q234 WeakPolarHBondContact O-CB 3.26Å; N230-Q234 VanDerWaalsContact O-CG 3.32Å; N230-Q234 WeakPolarHBondContact O-CG 3.39Å; N230-Q234 PolarHBondContact O-N 2.77Å; I231-Q234 PolarHBondContact O-N 3.02Å; Q234-M238 WeakPolarHBondContact O-CG 3.44Å; Q234-M238 PolarHBondContact O-N 2.99Å
235Q97.1Very high97.2Very high110 Ų110117.3 Ų117.351%0.51457%0.57SS.*Hα-helixtrans-66.3-38.8176.6-69175.9-1.400112.7I231 F232 Y233 M238I231-Q235 WeakPolarHBondContact O-CG 3.45Å; I231-Q235 PolarHBondContact O-N 2.91Å; F232-Q235 PolarHBondContact O-N 3.36Å; Y233-Q235 VanDerWaalsContact C-N 3.31Å; Y233-Q235 PolarHBondContact O-N 3.42Å; Q235-M238 PolarHBondContact O-N 3.19Å
236A97.4Very high97.4Very high28 Ų28118.1 Ų118.123%0.23158%0.58CS.*Hα-helixtrans-68.8-34.8-178.300000112.9F232 Y233 M238 R239F232-A236 WeakPolarHBondContact O-CB 3.31Å; F232-A236 PolarHBondContact O-N 3.4Å; Y233-A236 PolarHBondContact O-N 3.36Å; A236-M238 VanDerWaalsContact C-N 3.32Å; A236-R239 PolarHBondContact O-N 2.94Å
237I97Very high97.5Very high134 Ų134114.5 Ų114.569%0.68757%0.572SS**Hα-helixtrans-67.7-34.7177.6-70164.6000111.1Y233 R239Y233-I237 WeakPolarHBondContact O-CD1 3.42Å; Y233-I237 VanDerWaalsContact O-CG1 3.25Å; Y233-I237 WeakPolarHBondContact O-CG1 3.47Å; Y233-I237 PolarHBondContact O-N 3.12Å; I237-R239 PolarHBondContact O-N 3.27Å
238M97.2Very high97.5Very high160 Ų160112.6 Ų112.679%0.78857%0.572SS**THydrogen-bonded Turntrans-73.8-10.8179.3-63.5-57.8-67.900113.9Q234 Q235 A236 S240Q234-M238 WeakPolarHBondContact O-CG 3.44Å; Q234-M238 PolarHBondContact O-N 2.99Å; Q235-M238 PolarHBondContact O-N 3.19Å; A236-M238 VanDerWaalsContact C-N 3.32Å; M238-S240 PolarHBondContact O-N 2.94Å
239R96.9Very high97.6Very high170 Ų170106.5 Ų106.564%0.64256%0.561SS**SBendtrans-78.9121.1178-65.7177.6-173.4-163.21110.1A236 I237A236-R239 PolarHBondContact O-N 2.94Å; I237-R239 PolarHBondContact O-N 3.27Å
240S97.2Very high97.6Very high125 Ų125106.2 Ų106.287%0.87457%0.565SS**  trans-63144.3172.558.60000110.9M238M238-S240 PolarHBondContact O-N 2.94Å
241K96.1Very high97.7Very high181 Ų181106.6 Ų106.679%0.78757%0.567SS**  trans-124.8151.5-178.6-59.9174.6-170.3172.80109.3
242V97.7Very high97.7Very high107 Ų107107.7 Ų107.765%0.64858%0.577SS**  trans-105.1157.2171.6-66.60000109.3
243K98.4Very high97.7Very high162 Ų162109.1 Ų109.170%0.70458%0.583SS**  trans-64.2146.5175.3-66.2-178.7177.9-179.40110.3S245 V246 S247K243-S245 PolarHBondContact O-N 2.92Å; K243-V246 HydrophobicContact CB-CG2 4.32Å; K243-V246 WeakPolarHBondContact O-CB 3.27Å; K243-V246 PolarHBondContact O-N 3.47Å; K243-S247 PolarHBondContact O-N 3.37Å; K243-S247 VanDerWaalsContact O-N 3.12Å
244S98.5Very high97.6Very high83 Ų83108.7 Ų108.758%0.5858%0.581SS**Hα-helixtrans-56.2-34.6176.1-53.20000112.7V246 S247 L248S244-V246 VanDerWaalsContact C-N 3.28Å; S244-V246 PolarHBondContact O-N 3.41Å; S244-S247 WeakPolarHBondContact CA-OG 3.31Å; S244-S247 PolarHBondContact O-N 3.39Å; S244-S247 PolarHBondContact O-OG 2.78Å; S244-L248 WeakPolarHBondContact O-CB 3.49Å; S244-L248 WeakPolarHBondContact O-CG 3.49Å; S244-L248 PolarHBondContact O-N 2.95Å
245S98.1Very high97.6Very high90 Ų90107.4 Ų107.463%0.62958%0.577SS**Hα-helixtrans-60.8-36.2175.454.50000112.9K243 G249K243-S245 PolarHBondContact O-N 2.92Å; S245-G249 PolarHBondContact O-N 3.35Å; S245-G249 VanDerWaalsContact O-N 3.09Å
246V98.4Very high97.6Very high87 Ų87105.9 Ų105.953%0.52758%0.575SS.*Hα-helixtrans-74.1-48.9177.51790000110.4K243 S244 A250K243-V246 HydrophobicContact CB-CG2 4.32Å; K243-V246 WeakPolarHBondContact O-CB 3.27Å; K243-V246 PolarHBondContact O-N 3.47Å; S244-V246 VanDerWaalsContact C-N 3.28Å; S244-V246 PolarHBondContact O-N 3.41Å; V246-A250 WeakPolarHBondContact O-CB 3.45Å; V246-A250 PolarHBondContact O-N 3.37Å
247S98Very high97.4Very high47 Ų47107 Ų10733%0.32958%0.582SS.*Hα-helixtrans-68.7-45.3-177.558.30000112.7K243 S244 A250 L251K243-S247 PolarHBondContact O-N 3.37Å; K243-S247 VanDerWaalsContact O-N 3.12Å; S244-S247 WeakPolarHBondContact CA-OG 3.31Å; S244-S247 PolarHBondContact O-N 3.39Å; S244-S247 PolarHBondContact O-OG 2.78Å; S247-A250 PolarHBondContact O-N 3.49Å; S247-L251 WeakPolarHBondContact O-CG 3.4Å; S247-L251 PolarHBondContact O-N 3.09Å
248L98.4Very high97.4Very high100 Ų100102.1 Ų102.152%0.52456%0.555SS.*Hα-helixtrans-67.9-39.6177.6-63.5174.2000111S244 A250 L251 V252S244-L248 WeakPolarHBondContact O-CB 3.49Å; S244-L248 WeakPolarHBondContact O-CG 3.49Å; S244-L248 PolarHBondContact O-N 2.95Å; L248-A250 VanDerWaalsContact C-N 3.31Å; L248-A250 PolarHBondContact O-N 3.5Å; L248-L251 HydrophobicContact CD2-CD1 4.26Å; L248-L251 PolarHBondContact O-N 2.95Å; L248-V252 WeakPolarHBondContact O-CG2 3.44Å; L248-V252 PolarHBondContact O-N 3.41Å
249G98.4Very high97.3Very high38 Ų3899.3 Ų99.339%0.39254%0.538SS..Hα-helixtrans-59.8-41.517400000112.5S245 V252 K253S245-G249 PolarHBondContact O-N 3.35Å; S245-G249 VanDerWaalsContact O-N 3.09Å; G249-V252 PolarHBondContact O-N 2.91Å; G249-K253 WeakPolarHBondContact O-CB 3.44Å; G249-K253 PolarHBondContact O-N 3.18Å
250A97.5Very high97.2Very high60 Ų6096.2 Ų96.250%0.49653%0.534SS..Hα-helixtrans-64.7-40174.400000112.8V246 S247 L248 K253 Y254V246-A250 WeakPolarHBondContact O-CB 3.45Å; V246-A250 PolarHBondContact O-N 3.37Å; S247-A250 PolarHBondContact O-N 3.49Å; L248-A250 VanDerWaalsContact C-N 3.31Å; L248-A250 PolarHBondContact O-N 3.5Å; A250-K253 PolarHBondContact O-N 3.28Å; A250-Y254 WeakPolarHBondContact O-CB 3.42Å; A250-Y254 PolarHBondContact O-N 3.13Å
251L98.1Very high97Very high100 Ų10091.7 Ų91.752%0.52450%0.499SS..Hα-helixtrans-63.8-46.3175.6-74.1170.3000112S247 L248 K253 Y254 I255S247-L251 WeakPolarHBondContact O-CG 3.4Å; S247-L251 PolarHBondContact O-N 3.09Å; L248-L251 HydrophobicContact CD2-CD1 4.26Å; L248-L251 PolarHBondContact O-N 2.95Å; L251-K253 VanDerWaalsContact C-N 3.32Å; L251-K253 PolarHBondContact O-N 3.22Å; L251-Y254 WeakPolarHBondContact O-CB 3.28Å; L251-Y254 PolarHBondContact O-N 2.93Å; L251-I255 WeakPolarHBondContact O-CG1 3.45Å; L251-I255 PolarHBondContact O-N 3.35Å
252V98.2Very high97Very high92 Ų9286.1 Ų86.156%0.55848%0.478SS*.Hα-helixtrans-60.4-44.2176.41720000110.5L248 G249 Y254 I255 T256L248-V252 WeakPolarHBondContact O-CG2 3.44Å; L248-V252 PolarHBondContact O-N 3.41Å; G249-V252 PolarHBondContact O-N 2.91Å; V252-Y254 VanDerWaalsContact C-N 3.34Å; V252-Y254 PolarHBondContact O-N 3.29Å; V252-I255 PolarHBondContact O-N 2.88Å; V252-T256 WeakPolarHBondContact O-CB 3.28Å; V252-T256 PolarHBondContact O-N 2.98Å; V252-T256 PolarHBondContact O-OG1 2.82Å
253K97.5Very high96.8Very high151 Ų15183.1 Ų83.166%0.65747%0.465SS*.Hα-helixtrans-59.6-45.8175.7-175.1177.8-179.3177.80111.3G249 A250 L251 T256 S257G249-K253 WeakPolarHBondContact O-CB 3.44Å; G249-K253 PolarHBondContact O-N 3.18Å; A250-K253 PolarHBondContact O-N 3.28Å; L251-K253 VanDerWaalsContact C-N 3.32Å; L251-K253 PolarHBondContact O-N 3.22Å; K253-T256 PolarHBondContact O-N 2.76Å; K253-S257 PolarHBondContact O-N 2.96Å; K253-S257 PolarHBondContact O-OG 3.5Å
254Y96.9Very high96.6Very high125 Ų12584.7 Ų84.749%0.4947%0.472SS..Hα-helixtrans-58-56.2176.4-175.5-86.2000110.7A250 L251 V252 T256 S257 Y258A250-Y254 WeakPolarHBondContact O-CB 3.42Å; A250-Y254 PolarHBondContact O-N 3.13Å; L251-Y254 WeakPolarHBondContact O-CB 3.28Å; L251-Y254 PolarHBondContact O-N 2.93Å; V252-Y254 VanDerWaalsContact C-N 3.34Å; V252-Y254 PolarHBondContact O-N 3.29Å; Y254-T256 PolarHBondContact O-N 3.43Å; Y254-S257 PolarHBondContact O-N 3.07Å; Y254-Y258 HydrophobicContact CD1-CD2 4.05Å; Y254-Y258 HydrophobicContact CD1-CE2 4.43Å; Y254-Y258 AromaticContact CD2-CD2 3.96Å; Y254-Y258 HydrophobicContact CD2-CD2 3.96Å; Y254-Y258 AromaticContact CD2-CE2 3.56Å; Y254-Y258 HydrophobicContact CD2-CE2 3.56Å; Y254-Y258 AromaticContact CE1-CD2 3.91Å; Y254-Y258 HydrophobicContact CE1-CD2 3.91Å; Y254-Y258 HydrophobicContact CE1-CE2 4.19Å; Y254-Y258 HydrophobicContact CE1-CG 4.18Å; Y254-Y258 AromaticContact CE2-CD2 3.84Å; Y254-Y258 HydrophobicContact CE2-CD2 3.84Å; Y254-Y258 HydrophobicContact CE2-CE1 4.5Å; Y254-Y258 AromaticContact CE2-CE2 3.27Å; Y254-Y258 HydrophobicContact CE2-CE2 3.27Å; Y254-Y258 AromaticContact CE2-CZ 3.65Å; Y254-Y258 HydrophobicContact CG-CD2 4.07Å; Y254-Y258 HydrophobicContact CG-CE2 4.14Å; Y254-Y258 AromaticContact CZ-CD2 3.8Å; Y254-Y258 AromaticContact CZ-CE2 3.61Å; Y254-Y258 AromaticContact CZ-CZ 3.84Å; Y254-Y258 VanDerWaalsContact O-CD2 3.22Å; Y254-Y258 WeakPolarHBondContact O-CD2 3.39Å; Y254-Y258 PolarHBondContact O-N 3.12Å
255I96.9Very high96.4Very high105 Ų10586.5 Ų86.554%0.53848%0.475SS..Hα-helixtrans-55.6-42.9179.4-65.6165.5000111.1L251 V252 S257 Y258 K259L251-I255 WeakPolarHBondContact O-CG1 3.45Å; L251-I255 PolarHBondContact O-N 3.35Å; V252-I255 PolarHBondContact O-N 2.88Å; I255-S257 VanDerWaalsContact C-N 3.33Å; I255-S257 PolarHBondContact O-N 3.18Å; I255-Y258 PolarHBondContact O-N 3.06Å; I255-K259 WeakPolarHBondContact O-CB 3.43Å; I255-K259 PolarHBondContact O-N 3.22Å
256T96Very high96.1Very high78 Ų7883.1 Ų83.148%0.47945%0.452SS..Hα-helixtrans-64.2-37-179.8-55.50000112.7V252 K253 Y254V252-T256 WeakPolarHBondContact O-CB 3.28Å; V252-T256 PolarHBondContact O-N 2.98Å; V252-T256 PolarHBondContact O-OG1 2.82Å; K253-T256 PolarHBondContact O-N 2.76Å; Y254-T256 PolarHBondContact O-N 3.43Å
257S95.1Very high95.7Very high52 Ų5284.8 Ų84.836%0.36447%0.465SS..Hα-helixtrans-69.9-35.8175.3-66.10000112.7K253 Y254 I255 F302K253-S257 PolarHBondContact O-N 2.96Å; K253-S257 PolarHBondContact O-OG 3.5Å; Y254-S257 PolarHBondContact O-N 3.07Å; I255-S257 VanDerWaalsContact C-N 3.33Å; I255-S257 PolarHBondContact O-N 3.18Å; S257-F302 WeakPolarHBondContact O-CE2 3.5Å; S257-F302 WeakPolarHBondContact O-CZ 3.38Å
258Y95.9Very high95.4Very high32 Ų3283.1 Ų83.113%0.12545%0.453CS..Hα-helixtrans-96.2-10.9-173.6-74.3-100.2000114.7Y254 I255 N260 H261 D262 F302 E306Y254-Y258 HydrophobicContact CD1-CD2 4.05Å; Y254-Y258 HydrophobicContact CD1-CE2 4.43Å; Y254-Y258 AromaticContact CD2-CD2 3.96Å; Y254-Y258 HydrophobicContact CD2-CD2 3.96Å; Y254-Y258 AromaticContact CD2-CE2 3.56Å; Y254-Y258 HydrophobicContact CD2-CE2 3.56Å; Y254-Y258 AromaticContact CE1-CD2 3.91Å; Y254-Y258 HydrophobicContact CE1-CD2 3.91Å; Y254-Y258 HydrophobicContact CE1-CE2 4.19Å; Y254-Y258 HydrophobicContact CE1-CG 4.18Å; Y254-Y258 AromaticContact CE2-CD2 3.84Å; Y254-Y258 HydrophobicContact CE2-CD2 3.84Å; Y254-Y258 HydrophobicContact CE2-CE1 4.5Å; Y254-Y258 AromaticContact CE2-CE2 3.27Å; Y254-Y258 HydrophobicContact CE2-CE2 3.27Å; Y254-Y258 AromaticContact CE2-CZ 3.65Å; Y254-Y258 HydrophobicContact CG-CD2 4.07Å; Y254-Y258 HydrophobicContact CG-CE2 4.14Å; Y254-Y258 AromaticContact CZ-CD2 3.8Å; Y254-Y258 AromaticContact CZ-CE2 3.61Å; Y254-Y258 AromaticContact CZ-CZ 3.84Å; Y254-Y258 VanDerWaalsContact O-CD2 3.22Å; Y254-Y258 WeakPolarHBondContact O-CD2 3.39Å; Y254-Y258 PolarHBondContact O-N 3.12Å; I255-Y258 PolarHBondContact O-N 3.06Å; Y258-N260 PolarHBondContact O-N 3.05Å; Y258-N260 VanDerWaalsContact O-N 3.09Å; Y258-H261 WeakPolarHBondContact O-CA 3.34Å; Y258-H261 WeakPolarHBondContact O-CB 3.26Å; Y258-H261 PolarHBondContact O-N 3.47Å; Y258-D262 PolarHBondContact O-N 2.89Å; Y258-F302 HydrophobicContact CD1-CD2 4.1Å; Y258-F302 HydrophobicContact CD1-CE2 4.23Å; Y258-F302 HydrophobicContact CD2-CD2 4.24Å; Y258-F302 AromaticContact CE1-CD2 3.68Å; Y258-F302 HydrophobicContact CE1-CD2 3.68Å; Y258-F302 HydrophobicContact CE1-CE2 4.26Å; Y258-F302 HydrophobicContact CE2-CB 4.46Å; Y258-F302 AromaticContact CE2-CD2 3.86Å; Y258-F302 HydrophobicContact CE2-CD2 3.86Å; Y258-F302 HydrophobicContact CG-CD2 4.38Å; Y258-F302 HydrophobicContact CG-CE2 4.38Å; Y258-F302 AromaticContact CZ-CD2 3.58Å; Y258-E306 HydrophobicContact CE1-CG 4.29Å; Y258-E306 VanDerWaalsContact CE1-OE1 3.27Å; Y258-E306 WeakPolarHBondContact CE1-OE1 3.47Å; Y258-E306 WeakPolarHBondContact OH-CG 3.47Å; Y258-E306 PolarHBondContact OH-OE1 2.91Å
259K95.5Very high95.1Very high101 Ų10182.1 Ų82.144%0.43945%0.447SS..G310 helixtrans-53.7-34.8-175.171.2-177.5-176.6170.70114.3I255 H261 D262 L265I255-K259 WeakPolarHBondContact O-CB 3.43Å; I255-K259 PolarHBondContact O-N 3.22Å; K259-H261 PolarHBondContact O-N 3.41Å; K259-D262 PolarHBondContact O-N 3.2Å; K259-L265 HydrophobicContact CB-CD1 4.49Å
260N94.6Very high94.9Very high104 Ų10480.7 Ų80.756%0.55643%0.431SS*.G310 helixtrans-77.8-10.5179.7-66-12.5000112.8Y258Y258-N260 PolarHBondContact O-N 3.05Å; Y258-N260 VanDerWaalsContact O-N 3.09Å
261H93.8Very high94.7Very high30 Ų3078.4 Ų78.414%0.13941%0.412CS..G310 helixtrans-102.4-0.6176.5-61.7-97.3000112.3Y258 K259 M295 F302Y258-H261 WeakPolarHBondContact O-CA 3.34Å; Y258-H261 WeakPolarHBondContact O-CB 3.26Å; Y258-H261 PolarHBondContact O-N 3.47Å; K259-H261 PolarHBondContact O-N 3.41Å; H261-M295 WeakPolarHBondContact CE1-CG 3.37Å; H261-M295 PolarHBondContact CE1-O 3.41Å; H261-M295 VanDerWaalsContact ND1-CG 3.26Å; H261-M295 WeakPolarHBondContact ND1-CG 3.45Å; H261-F302 AromaticContact CD2-CE2 3.58Å; H261-F302 AromaticContact CD2-CZ 3.75Å; H261-F302 AromaticContact NE2-CE2 3.44Å; H261-F302 WeakPolarHBondContact NE2-CE2 3.23Å; H261-F302 AromaticContact NE2-CZ 3.23Å; H261-F302 WeakPolarHBondContact NE2-CZ 3.44Å
262D95.5Very high94.4Very high65 Ų6575 Ų7535%0.34839%0.394SS..  trans-93.3113.7175.6-170.2-27.2000109.4Y258 K259 F264 L265 A266Y258-D262 PolarHBondContact O-N 2.89Å; K259-D262 PolarHBondContact O-N 3.2Å; D262-F264 PolarHBondContact O-N 3.06Å; D262-F264 VanDerWaalsContact O-N 3.17Å; D262-F264 WeakPolarHBondContact OD1-CB 3.22Å; D262-F264 PolarHBondContact OD1-N 2.98Å; D262-L265 HydrophobicContact CB-CB 4.22Å; D262-L265 HydrophobicContact CB-CD1 4.19Å; D262-L265 HydrophobicContact CB-CG 4.18Å; D262-L265 PolarHBondContact O-N 3.35Å; D262-A266 PolarHBondContact O-N 3.17Å
263A92.6Very high94.1Very high44 Ų4471 Ų7136%0.36437%0.37SS..THydrogen-bonded Turntrans-65.8-14.6-177.600000113.8A266 C268A263-A266 CarbonylContact C-O 3.39Å; A263-A266 WeakPolarHBondContact CA-O 3.42Å; A263-C268 HydrophobicContact CB-CB 4.35Å
264F94.5Very high93.7Very high195 Ų19572.6 Ų72.686%0.85537%0.372SS*.THydrogen-bonded Turntrans-83.1-24.4172.4-68.5-72.4000113D262D262-F264 PolarHBondContact O-N 3.06Å; D262-F264 VanDerWaalsContact O-N 3.17Å; D262-F264 WeakPolarHBondContact OD1-CB 3.22Å; D262-F264 PolarHBondContact OD1-N 2.98Å
265L94Very high93.3Very high121 Ų12171.7 Ų71.763%0.63437%0.372SS*.THydrogen-bonded Turntrans-104.7-28.4-175.4-58.6-178.8000112.7K259 D262K259-L265 HydrophobicContact CB-CD1 4.49Å; D262-L265 HydrophobicContact CB-CB 4.22Å; D262-L265 HydrophobicContact CB-CD1 4.19Å; D262-L265 HydrophobicContact CB-CG 4.18Å; D262-L265 PolarHBondContact O-N 3.35Å
266A92.5Very high92.9Very high19 Ų1967.2 Ų67.216%0.15735%0.35CS..SBendtrans-132.4142.5-179.900000110.4D262 A263 C268D262-A266 PolarHBondContact O-N 3.17Å; A263-A266 CarbonylContact C-O 3.39Å; A263-A266 WeakPolarHBondContact CA-O 3.42Å; A266-C268 PolarHBondContact O-N 3.4Å
267P90.2Very high92.5Very high122 Ų12267.9 Ų67.979%0.79235%0.35SS*.PPolyproline II helixtrans-62.9133177.326.8-33.8000110.1
268C91.4Very high92.2Very high12 Ų1268.9 Ų68.98%0.08135%0.349CS..PPolyproline II helixtrans-91.214117464.40000110.5A263 A266 P270 S271 N272 Y281A263-C268 HydrophobicContact CB-CB 4.35Å; A266-C268 PolarHBondContact O-N 3.4Å; C268-P270 CarbonylContact O-C 3.59Å; C268-S271 CarbonylContact O-C 3.35Å; C268-S271 VanDerWaalsContact O-CA 3.22Å; C268-S271 WeakPolarHBondContact O-CA 3.48Å; C268-S271 PolarHBondContact O-N 3.36Å; C268-N272 WeakPolarHBondContact SG-CA 3.25Å; C268-Y281 HydrophobicContact CB-CD2 3.89Å; C268-Y281 HydrophobicContact CB-CE2 3.55Å
269L92.9Very high92.1Very high78 Ų7871.8 Ų71.841%0.40837%0.367SS..SBendtrans-102.5134-176.6-64175000111.1Y281 P424 A426L269-Y281 VanDerWaalsContact O-CD2 3.29Å; L269-Y281 WeakPolarHBondContact O-CD2 3.32Å; L269-P424 HydrophobicContact CB-CB 4.37Å; L269-A426 HydrophobicContact CD2-CB 3.69Å
270P93.1Very high92Very high8 Ų867.8 Ų67.85%0.05235%0.353CS..SBendcis-81.7-26.211.730.6-36.3000114.9C268 A280 L284 P424 E425 A426 H427C268-P270 CarbonylContact O-C 3.59Å; P270-A280 HydrophobicContact CG-CB 3.71Å; P270-L284 HydrophobicContact CG-CD1 4.33Å; P270-P424 HydrophobicContact CB-CB 4.44Å; P270-E425 WeakPolarHBondContact CA-O 3.32Å; P270-E425 WeakPolarHBondContact CB-O 3.34Å; P270-A426 WeakPolarHBondContact O-CA 3.34Å; P270-H427 PolarHBondContact O-N 3.31Å
271S93.1Very high92Very high12 Ų1265.2 Ų65.28%0.08434%0.335CS..  trans-166.7166.7173.1510000110.3C268 P273 T276 H427C268-S271 CarbonylContact O-C 3.35Å; C268-S271 VanDerWaalsContact O-CA 3.22Å; C268-S271 WeakPolarHBondContact O-CA 3.48Å; C268-S271 PolarHBondContact O-N 3.36Å; S271-P273 VanDerWaalsContact O-CD 3.32Å; S271-P273 WeakPolarHBondContact O-CD 3.4Å; S271-T276 PolarHBondContact OG-OG1 3.09Å; S271-H427 PolarHBondContact OG-ND1 3.45Å
272N92.7Very high92Very high28 Ų2869.6 Ų69.615%0.1535%0.351CS..  trans-74.6117.3174.4-173.6-5000110.3C268 W274 E275 T276C268-N272 WeakPolarHBondContact SG-CA 3.25Å; N272-W274 PolarHBondContact O-N 3.44Å; N272-W274 VanDerWaalsContact O-N 3.16Å; N272-W274 VanDerWaalsContact OD1-CD1 3.26Å; N272-W274 PolarHBondContact OD1-N 2.98Å; N272-E275 HydrophobicContact CB-CB 4.22Å; N272-E275 HydrophobicContact CB-CG 4.24Å; N272-E275 PolarHBondContact ND2-OE1 3.47Å; N272-E275 PolarHBondContact O-N 2.91Å; N272-T276 PolarHBondContact O-N 2.92Å; N272-T276 PolarHBondContact O-OG1 3.16Å
273P92.4Very high91.9Very high8 Ų869.6 Ų69.65%0.05235%0.353CS..Hα-helixtrans-58.3-29.7-179.9-27.737.6000113.5S271 E275 D277 H278 Y281 W282S271-P273 VanDerWaalsContact O-CD 3.32Å; S271-P273 WeakPolarHBondContact O-CD 3.4Å; P273-E275 VanDerWaalsContact C-N 3.27Å; P273-E275 PolarHBondContact O-N 3.2Å; P273-D277 VanDerWaalsContact O-CA 3.28Å; P273-D277 WeakPolarHBondContact O-CA 3.41Å; P273-D277 PolarHBondContact O-N 2.99Å; P273-H278 WeakPolarHBondContact CA-O 3.21Å; P273-H278 WeakPolarHBondContact CB-O 3.17Å; P273-H278 WeakPolarHBondContact CG-O 3.38Å; P273-Y281 HydrophobicContact CG-CD1 4.31Å; P273-Y281 HydrophobicContact CG-CG 4.42Å; P273-W282 HydrophobicContact CB-CD2 4.15Å; P273-W282 HydrophobicContact CB-CE3 4.35Å; P273-W282 HydrophobicContact CB-CH2 3.93Å; P273-W282 HydrophobicContact CB-CZ2 3.69Å; P273-W282 HydrophobicContact CB-CZ3 4.25Å; P273-W282 HydrophobicContact CG-CD2 4.05Å; P273-W282 HydrophobicContact CG-CG 4.29Å; P273-W282 HydrophobicContact CG-CZ2 4.19Å
274W89.1Confident92.1Very high185 Ų18569.6 Ų69.670%0.70135%0.347SS*.Hα-helixtrans-73.6-17.5179.5-57.5111.3000113.9N272 W282 R441N272-W274 PolarHBondContact O-N 3.44Å; N272-W274 VanDerWaalsContact O-N 3.16Å; N272-W274 VanDerWaalsContact OD1-CD1 3.26Å; N272-W274 PolarHBondContact OD1-N 2.98Å; W274-W282 HydrophobicContact CD2-CZ2 4.34Å; W274-W282 AromaticContact CE2-CZ2 3.76Å; W274-W282 HydrophobicContact CH2-CH2 4.24Å; W274-W282 HydrophobicContact CH2-CZ2 4.2Å; W274-W282 HydrophobicContact CZ2-CH2 4.2Å; W274-W282 AromaticContact CZ2-CZ2 3.69Å; W274-W282 HydrophobicContact CZ2-CZ2 3.69Å; W274-R441 PolarHBondContact O-NH1 2.73Å; W274-R441 PolarHBondContact O-NH2 3.5Å
275E88Confident92.1Very high107 Ų10762.2 Ų62.250%0.532%0.316SS..Hα-helixtrans-103.9-30.1179.5-71169.4-146.300112.4N272 P273 R441N272-E275 HydrophobicContact CB-CB 4.22Å; N272-E275 HydrophobicContact CB-CG 4.24Å; N272-E275 PolarHBondContact ND2-OE1 3.47Å; N272-E275 PolarHBondContact O-N 2.91Å; P273-E275 VanDerWaalsContact C-N 3.27Å; P273-E275 PolarHBondContact O-N 3.2Å; E275-R441 VanDerWaalsContact CA-NH2 3.32Å; E275-R441 PolarHBondContact O-NH2 3.04Å
276T89.1Confident92.1Very high10 Ų1061.3 Ų61.36%0.06131%0.31CS..Hα-helixtrans-107.8-10-172.558.40000113.8S271 N272 H278 F429 L434 N437S271-T276 PolarHBondContact OG-OG1 3.09Å; N272-T276 PolarHBondContact O-N 2.92Å; N272-T276 PolarHBondContact O-OG1 3.16Å; T276-H278 PolarHBondContact O-N 2.79Å; T276-H278 VanDerWaalsContact O-N 3.15Å; T276-H278 PolarHBondContact OG1-N 3.34Å; T276-F429 HydrophobicContact CG2-CD2 3.47Å; T276-F429 VanDerWaalsContact CG2-CD2 3.47Å; T276-F429 HydrophobicContact CG2-CE2 3.53Å; T276-F429 HydrophobicContact CG2-CG 4.2Å; T276-F429 HydrophobicContact CG2-CZ 4.32Å; T276-L434 HydrophobicContact CG2-CD2 3.9Å; T276-N437 PolarHBondContact O-ND2 3.15Å; T276-N437 VanDerWaalsContact O-ND2 3.14Å
277D87.1Confident92Very high92 Ų9270 Ų7049%0.49234%0.339SS..  trans54.725.6-172.6-51.9-17.8000112.4P273 R441P273-D277 VanDerWaalsContact O-CA 3.28Å; P273-D277 WeakPolarHBondContact O-CA 3.41Å; P273-D277 PolarHBondContact O-N 2.99Å; D277-R441 IonicContact OD1-CZ 2.66Å; D277-R441 IonicContact OD1-NE 2.71Å; D277-R441 PolarHBondContact OD1-NE 3.42Å; D277-R441 IonicContact OD1-NH2 3.12Å; D277-R441 PolarHBondContact OD1-NH2 3.26Å; D277-R441 IonicContact OD2-NE 2.72Å; D277-R441 IonicContact OD2-NH2 3.9Å
278H89.1Confident91.9Very high74 Ų7472.7 Ų72.734%0.34333%0.333SS..  trans-113.7121.9179.9-164.3-55.1000110.7P273 T276 A280 H427 F429P273-H278 WeakPolarHBondContact CA-O 3.21Å; P273-H278 WeakPolarHBondContact CB-O 3.17Å; P273-H278 WeakPolarHBondContact CG-O 3.38Å; T276-H278 PolarHBondContact O-N 2.79Å; T276-H278 VanDerWaalsContact O-N 3.15Å; T276-H278 PolarHBondContact OG1-N 3.34Å; H278-A280 VanDerWaalsContact CE1-CB 3.47Å; H278-A280 WeakPolarHBondContact CE1-CB 3.38Å; H278-A280 WeakPolarHBondContact ND1-CB 3.41Å; H278-A280 PolarHBondContact ND1-N 2.88Å; H278-H427 AromaticContact CD2-CE1 3.89Å; H278-H427 AromaticContact CE1-CE1 3.76Å; H278-H427 AromaticContact CG-CE1 3.84Å; H278-H427 AromaticContact ND1-CE1 3.72Å; H278-H427 AromaticContact NE2-CE1 3.82Å; H278-F429 HydrophobicContact CB-CZ 4.1Å
279D92.9Very high92Very high92 Ų9273.2 Ų73.249%0.49234%0.336SS..THydrogen-bonded Turntrans-86.4-7.6-168.669.7-8.9000115.4Y281 W282 T283D279-Y281 PolarHBondContact O-N 2.98Å; D279-W282 HydrophobicContact CB-CE3 3.98Å; D279-W282 WeakPolarHBondContact O-CA 3.29Å; D279-W282 WeakPolarHBondContact O-CB 3.26Å; D279-W282 PolarHBondContact O-N 3.13Å; D279-T283 PolarHBondContact O-N 3.23Å; D279-T283 VanDerWaalsContact O-N 3.13Å
280A93.3Very high91.9Very high18 Ų1876.5 Ų76.515%0.14935%0.354CS..Hα-helixtrans-42.3-40.5-179.800000115.1P270 H278 W282 T283 L284P270-A280 HydrophobicContact CG-CB 3.71Å; H278-A280 VanDerWaalsContact CE1-CB 3.47Å; H278-A280 WeakPolarHBondContact CE1-CB 3.38Å; H278-A280 WeakPolarHBondContact ND1-CB 3.41Å; H278-A280 PolarHBondContact ND1-N 2.88Å; A280-W282 VanDerWaalsContact C-N 3.33Å; A280-W282 PolarHBondContact O-N 3.48Å; A280-T283 PolarHBondContact O-N 2.87Å; A280-L284 WeakPolarHBondContact O-CB 3.22Å; A280-L284 WeakPolarHBondContact O-CD1 3.29Å; A280-L284 VanDerWaalsContact O-CG 3.22Å; A280-L284 WeakPolarHBondContact O-CG 3.35Å; A280-L284 PolarHBondContact O-N 2.84Å
281Y94Very high92Very high49 Ų4978.8 Ų78.819%0.19237%0.368CS..Hα-helixtrans-58.1-43.6175.7177-92.7000112.3C268 L269 P273 D279 N285 M295C268-Y281 HydrophobicContact CB-CD2 3.89Å; C268-Y281 HydrophobicContact CB-CE2 3.55Å; L269-Y281 VanDerWaalsContact O-CD2 3.29Å; L269-Y281 WeakPolarHBondContact O-CD2 3.32Å; P273-Y281 HydrophobicContact CG-CD1 4.31Å; P273-Y281 HydrophobicContact CG-CG 4.42Å; D279-Y281 PolarHBondContact O-N 2.98Å; Y281-N285 WeakPolarHBondContact CE2-ND2 3.29Å; Y281-N285 WeakPolarHBondContact O-CB 3.32Å; Y281-N285 PolarHBondContact O-N 3.27Å; Y281-N285 PolarHBondContact O-ND2 2.99Å; Y281-M295 HydrophobicContact CE2-CE 4.39Å
282W94.9Very high92.2Very high123 Ų12378.2 Ų78.247%0.46636%0.364SS..Hα-helixtrans-67.7-42.9176.5-64.2-29.8000111.6P273 W274 D279 A280 L284 N285 M286P273-W282 HydrophobicContact CB-CD2 4.15Å; P273-W282 HydrophobicContact CB-CE3 4.35Å; P273-W282 HydrophobicContact CB-CH2 3.93Å; P273-W282 HydrophobicContact CB-CZ2 3.69Å; P273-W282 HydrophobicContact CB-CZ3 4.25Å; P273-W282 HydrophobicContact CG-CD2 4.05Å; P273-W282 HydrophobicContact CG-CG 4.29Å; P273-W282 HydrophobicContact CG-CZ2 4.19Å; W274-W282 HydrophobicContact CD2-CZ2 4.34Å; W274-W282 AromaticContact CE2-CZ2 3.76Å; W274-W282 HydrophobicContact CH2-CH2 4.24Å; W274-W282 HydrophobicContact CH2-CZ2 4.2Å; W274-W282 HydrophobicContact CZ2-CH2 4.2Å; W274-W282 AromaticContact CZ2-CZ2 3.69Å; W274-W282 HydrophobicContact CZ2-CZ2 3.69Å; D279-W282 HydrophobicContact CB-CE3 3.98Å; D279-W282 WeakPolarHBondContact O-CA 3.29Å; D279-W282 WeakPolarHBondContact O-CB 3.26Å; D279-W282 PolarHBondContact O-N 3.13Å; A280-W282 VanDerWaalsContact C-N 3.33Å; A280-W282 PolarHBondContact O-N 3.48Å; W282-L284 VanDerWaalsContact C-N 3.33Å; W282-L284 PolarHBondContact O-N 3.04Å; W282-N285 CarbonylContact O-C 3.17Å; W282-N285 PolarHBondContact O-N 3.17Å; W282-N285 VanDerWaalsContact O-N 3.09Å; W282-M286 WeakPolarHBondContact O-CG 3.46Å; W282-M286 PolarHBondContact O-N 3.22Å
283T94.2Very high92.4Very high64 Ų6477.2 Ų77.239%0.39336%0.358SS..Hα-helixtrans-58-45.7177.6-61.70000111.4D279 A280 N285 M286D279-T283 PolarHBondContact O-N 3.23Å; D279-T283 VanDerWaalsContact O-N 3.13Å; A280-T283 PolarHBondContact O-N 2.87Å; T283-N285 VanDerWaalsContact C-N 3.28Å; T283-N285 PolarHBondContact O-N 2.81Å; T283-M286 HydrophobicContact CG2-CE 3.66Å; T283-M286 PolarHBondContact O-N 3.46Å
284L94.8Very high92.5Very high44 Ų4482 Ų8223%0.2338%0.378CS..Hα-helixtrans-69-23.4177.9-69.6164.4000113.6P270 A280 W282 T293 L422 P424P270-L284 HydrophobicContact CG-CD1 4.33Å; A280-L284 WeakPolarHBondContact O-CB 3.22Å; A280-L284 WeakPolarHBondContact O-CD1 3.29Å; A280-L284 VanDerWaalsContact O-CG 3.22Å; A280-L284 WeakPolarHBondContact O-CG 3.35Å; A280-L284 PolarHBondContact O-N 2.84Å; W282-L284 VanDerWaalsContact C-N 3.33Å; W282-L284 PolarHBondContact O-N 3.04Å; L284-T293 HydrophobicContact CB-CG2 4.02Å; L284-L422 HydrophobicContact CD2-CD1 4.05Å; L284-P424 HydrophobicContact CD1-CB 3.93Å; L284-P424 HydrophobicContact CD1-CG 3.66Å
285N94.5Very high92.8Very high40 Ų4075.8 Ų75.821%0.21436%0.358CS..THydrogen-bonded Turntrans-111.418.7-178.1-65.8-72.3000113.3Y281 W282 T283 T293Y281-N285 WeakPolarHBondContact CE2-ND2 3.29Å; Y281-N285 WeakPolarHBondContact O-CB 3.32Å; Y281-N285 PolarHBondContact O-N 3.27Å; Y281-N285 PolarHBondContact O-ND2 2.99Å; W282-N285 CarbonylContact O-C 3.17Å; W282-N285 PolarHBondContact O-N 3.17Å; W282-N285 VanDerWaalsContact O-N 3.09Å; T283-N285 VanDerWaalsContact C-N 3.28Å; T283-N285 PolarHBondContact O-N 2.81Å; N285-T293 PolarHBondContact OD1-OG1 2.93Å
286M94.3Very high93.2Very high102 Ų10271.9 Ų71.950%0.50234%0.339SS..  trans-55.6150.5173.1-78.7-166-110.700111.6W282 T283 R288 V289 R296W282-M286 WeakPolarHBondContact O-CG 3.46Å; W282-M286 PolarHBondContact O-N 3.22Å; T283-M286 HydrophobicContact CG2-CE 3.66Å; T283-M286 PolarHBondContact O-N 3.46Å; M286-R288 VanDerWaalsContact C-N 3.26Å; M286-R288 PolarHBondContact O-N 3.17Å; M286-R288 VanDerWaalsContact O-N 3.12Å; M286-V289 HydrophobicContact CB-CG1 3.73Å; M286-R296 PolarHBondContact O-NH1 2.88Å
287R92Very high93.6Very high202 Ų20271.4 Ų71.476%0.76234%0.336SS*.THydrogen-bonded Turntrans-55.7-38.8-171.1-65.6-175.6179.3-179.30.6113.5R296 L311R287-R296 PolarHBondContact O-NH2 3.03Å; R287-L311 HydrophobicContact CB-CD1 4.22Å
288R88.1Confident94.1Very high179 Ų17971.3 Ų71.368%0.67533%0.332SS*.THydrogen-bonded Turntrans-124.684.2177.4-66.8-176.7-178.6-128.82.9110M286 L311M286-R288 VanDerWaalsContact C-N 3.26Å; M286-R288 PolarHBondContact O-N 3.17Å; M286-R288 VanDerWaalsContact O-N 3.12Å; R288-L311 HydrophobicContact CG-CB 4.49Å; R288-L311 HydrophobicContact CG-CD1 4.46Å
289V93.2Very high94.4Very high23 Ų2372.3 Ų72.314%0.13933%0.333CS..  trans-98.3149.8169.5-66.60000109.7M286 P292 R312M286-V289 HydrophobicContact CB-CG1 3.73Å; V289-P292 HydrophobicContact CG2-CB 4.36Å; V289-R312 WeakPolarHBondContact O-CD 3.49Å
290D90.8Very high94.7Very high147 Ų14768 Ų6879%0.78631%0.31SS*.SBendtrans-65-44.9176.9-66.6-33.3000111.4
291V94.4Very high94.8Very high56 Ų5669.2 Ų69.234%0.33932%0.317SS..SBendtrans-121109.7179.2-1680000109.5K420 L422V291-K420 WeakPolarHBondContact CG1-O 3.45Å; V291-L422 HydrophobicContact CB-CD1 4.12Å; V291-L422 HydrophobicContact CB-CG 4.13Å; V291-L422 HydrophobicContact CG1-CD1 4.26Å; V291-L422 HydrophobicContact CG1-CD2 4.31Å; V291-L422 HydrophobicContact CG1-CG 3.71Å
292P97Very high95Very high0 Ų069.7 Ų69.70%032%0.321CS..  trans-71.1159.5176.830.8-35.7000111.6V289 R296 V297 W300 R312 I417 A421 L422V289-P292 HydrophobicContact CG2-CB 4.36Å; P292-R296 HydrophobicContact CB-CG 4.44Å; P292-V297 HydrophobicContact CB-CG2 3.88Å; P292-V297 HydrophobicContact CG-CG2 3.41Å; P292-V297 VanDerWaalsContact CG-CG2 3.41Å; P292-W300 HydrophobicContact CB-CH2 4.47Å; P292-W300 HydrophobicContact CB-CZ2 4.36Å; P292-W300 HydrophobicContact CG-CH2 4Å; P292-W300 HydrophobicContact CG-CZ2 4.38Å; P292-R312 HydrophobicContact CB-CG 4.46Å; P292-R312 HydrophobicContact CG-CG 4.42Å; P292-I417 HydrophobicContact CG-CD1 4.06Å; P292-I417 HydrophobicContact CG-CG1 4.05Å; P292-A421 CarbonylContact O-C 3.56Å; P292-A421 VanDerWaalsContact O-CA 3.28Å; P292-A421 WeakPolarHBondContact O-CA 3.42Å; P292-L422 PolarHBondContact O-N 3.29Å
293T96.9Very high95.1Very high6 Ų665.3 Ų65.34%0.03731%0.308CS..BIsolated β-bridgetrans-70.6152.9171.463.30000111.2L284 N285 M295 R296 V297 L422 P424L284-T293 HydrophobicContact CB-CG2 4.02Å; N285-T293 PolarHBondContact OD1-OG1 2.93Å; T293-M295 VanDerWaalsContact C-N 3.28Å; T293-M295 PolarHBondContact O-N 3.36Å; T293-R296 WeakPolarHBondContact O-CB 3.3Å; T293-R296 PolarHBondContact O-N 2.84Å; T293-R296 VanDerWaalsContact O-N 3.07Å; T293-R296 VanDerWaalsContact OG1-CB 3.24Å; T293-R296 WeakPolarHBondContact OG1-CB 3.42Å; T293-R296 PolarHBondContact OG1-N 3.33Å; T293-V297 PolarHBondContact O-N 2.88Å; T293-L422 CarbonylContact C-O 3.49Å; T293-L422 VanDerWaalsContact CA-O 3.28Å; T293-L422 WeakPolarHBondContact CA-O 3.5Å; T293-P424 HydrophobicContact CG2-CG 4.17Å
294K95.9Very high95.2Very high108 Ų10862.3 Ų62.347%0.4729%0.29SS..Hα-helixtrans-57.5-43178.2-176.1179.6177.9-176.40111.7R296 V297 E298 A421 L422 S423K294-R296 VanDerWaalsContact C-N 3.32Å; K294-R296 PolarHBondContact O-N 3.24Å; K294-V297 PolarHBondContact O-N 2.9Å; K294-E298 WeakPolarHBondContact O-CB 3.44Å; K294-E298 PolarHBondContact O-N 3.41Å; K294-A421 HydrophobicContact CB-CB 4.16Å; K294-L422 PolarHBondContact N-O 3.34Å; K294-S423 WeakPolarHBondContact CD-OG 3.34Å
295M94.8Very high95.3Very high55 Ų5566 Ų6627%0.27130%0.304SS..Hα-helixtrans-60.8-40176.1-173179.670.200111.7H261 Y281 T293 R299H261-M295 WeakPolarHBondContact CE1-CG 3.37Å; H261-M295 PolarHBondContact CE1-O 3.41Å; H261-M295 VanDerWaalsContact ND1-CG 3.26Å; H261-M295 WeakPolarHBondContact ND1-CG 3.45Å; Y281-M295 HydrophobicContact CE2-CE 4.39Å; T293-M295 VanDerWaalsContact C-N 3.28Å; T293-M295 PolarHBondContact O-N 3.36Å; M295-R299 PolarHBondContact O-N 3.18Å; M295-R299 VanDerWaalsContact O-N 3.15Å
296R96.4Very high95.4Very high26 Ų2664.9 Ų64.910%0.09830%0.298CS..Hα-helixtrans-65.7-44.3176-178.6176.3178.4177.81.4112.1M286 R287 P292 T293 K294 R299 W300 D310M286-R296 PolarHBondContact O-NH1 2.88Å; R287-R296 PolarHBondContact O-NH2 3.03Å; P292-R296 HydrophobicContact CB-CG 4.44Å; T293-R296 WeakPolarHBondContact O-CB 3.3Å; T293-R296 PolarHBondContact O-N 2.84Å; T293-R296 VanDerWaalsContact O-N 3.07Å; T293-R296 VanDerWaalsContact OG1-CB 3.24Å; T293-R296 WeakPolarHBondContact OG1-CB 3.42Å; T293-R296 PolarHBondContact OG1-N 3.33Å; K294-R296 VanDerWaalsContact C-N 3.32Å; K294-R296 PolarHBondContact O-N 3.24Å; R296-R299 WeakPolarHBondContact O-CB 3.32Å; R296-R299 PolarHBondContact O-N 3.33Å; R296-W300 VanDerWaalsContact O-CD1 3.23Å; R296-W300 PolarHBondContact O-NE1 3.3Å; R296-D310 WeakPolarHBondContact CG-OD2 3.48Å; R296-D310 IonicContact CZ-OD1 3.47Å; R296-D310 IonicContact CZ-OD2 2.8Å; R296-D310 IonicContact NE-OD1 3.01Å; R296-D310 PolarHBondContact NE-OD1 3.45Å; R296-D310 IonicContact NE-OD2 3.29Å; R296-D310 PolarHBondContact NE-OD2 2.92Å; R296-D310 IonicContact NH2-OD1 2.65Å; R296-D310 PolarHBondContact NH2-OD1 3.5Å; R296-D310 IonicContact NH2-OD2 3.68Å; R296-D310 PolarHBondContact NH2-OD2 3.09Å
297V97.5Very high95.6Very high0 Ų060 Ų600%027%0.274CS..Hα-helixtrans-65.5-42.5177.6177.80000111.6P292 T293 K294 R299 W300 Y414 I417 Q418 A421P292-V297 HydrophobicContact CB-CG2 3.88Å; P292-V297 HydrophobicContact CG-CG2 3.41Å; P292-V297 VanDerWaalsContact CG-CG2 3.41Å; T293-V297 PolarHBondContact O-N 2.88Å; K294-V297 PolarHBondContact O-N 2.9Å; V297-R299 VanDerWaalsContact C-N 3.26Å; V297-R299 PolarHBondContact O-N 2.88Å; V297-W300 HydrophobicContact CB-CE3 4.42Å; V297-W300 HydrophobicContact CG1-CE3 4.05Å; V297-W300 HydrophobicContact CG1-CZ3 4.23Å; V297-W300 HydrophobicContact CG2-CE3 4.43Å; V297-W300 HydrophobicContact CG2-CH2 4.06Å; V297-W300 HydrophobicContact CG2-CZ2 4.39Å; V297-W300 HydrophobicContact CG2-CZ3 4.08Å; V297-W300 VanDerWaalsContact O-CB 3.3Å; V297-W300 WeakPolarHBondContact O-CB 3.37Å; V297-W300 PolarHBondContact O-N 3.22Å; V297-W300 VanDerWaalsContact O-N 3.12Å; V297-Y414 HydrophobicContact CG1-CE2 3.76Å; V297-Y414 PolarHBondContact O-OH 3.38Å; V297-I417 HydrophobicContact CG1-CG2 4.12Å; V297-I417 HydrophobicContact CG2-CG1 4.32Å; V297-Q418 HydrophobicContact CG1-CB 4.32Å; V297-A421 HydrophobicContact CB-CB 4.47Å; V297-A421 HydrophobicContact CG2-CB 3.93Å
298E96.3Very high95.8Very high90 Ų9050.4 Ų50.442%0.42124%0.238SC..Hα-helixtrans-56.9-42175.9-179.9176.2179.700111.6K294 W300 S301 F302K294-E298 WeakPolarHBondContact O-CB 3.44Å; K294-E298 PolarHBondContact O-N 3.41Å; E298-W300 PolarHBondContact O-N 3.41Å; E298-S301 WeakPolarHBondContact O-CB 3.39Å; E298-S301 PolarHBondContact O-N 3.21Å; E298-S301 PolarHBondContact O-OG 3Å; E298-F302 HydrophobicContact CG-CE1 4.27Å
299R97Very high96.1Very high94 Ų9445.5 Ų45.536%0.35523%0.228SC..Hα-helixtrans-59.7-31.6179.1-172.4174.5170.5168.83.2112.9M295 R296 V297 S301 F302 E306M295-R299 PolarHBondContact O-N 3.18Å; M295-R299 VanDerWaalsContact O-N 3.15Å; R296-R299 WeakPolarHBondContact O-CB 3.32Å; R296-R299 PolarHBondContact O-N 3.33Å; V297-R299 VanDerWaalsContact C-N 3.26Å; V297-R299 PolarHBondContact O-N 2.88Å; R299-S301 PolarHBondContact O-N 3.47Å; R299-F302 HydrophobicContact CB-CD2 4.5Å; R299-F302 HydrophobicContact CG-CD2 4.01Å; R299-F302 HydrophobicContact CG-CE2 4.27Å; R299-F302 WeakPolarHBondContact O-CB 3.38Å; R299-F302 WeakPolarHBondContact O-CG 3.47Å; R299-F302 PolarHBondContact O-N 3.15Å; R299-F302 VanDerWaalsContact O-N 3.08Å; R299-E306 HydrophobicContact CG-CG 4.33Å; R299-E306 IonicContact CZ-OE1 3.88Å; R299-E306 IonicContact CZ-OE2 3.12Å; R299-E306 VanDerWaalsContact NE-CD 3.25Å; R299-E306 IonicContact NE-OE1 3.3Å; R299-E306 PolarHBondContact NE-OE1 2.97Å; R299-E306 IonicContact NE-OE2 2.91Å; R299-E306 PolarHBondContact NE-OE2 3.36Å; R299-E306 IonicContact NH2-OE1 2.75Å; R299-E306 PolarHBondContact NH2-OE1 2.84Å; R299-E306 IonicContact NH2-OE2 3.24Å; R299-E306 PolarHBondContact NH2-OE2 3.5Å; R299-E306 WeakPolarHBondContact O-CB 3.28Å
300W97.8Very high96.3Very high1 Ų145.6 Ų45.60%0.00423%0.228CC..Hα-helixtrans-59.7-28.4175.8-57.6-14.5000112.7P292 R296 V297 E298 F302 L307 D310 R312 G313 D316 F405 Y414 I417P292-W300 HydrophobicContact CB-CH2 4.47Å; P292-W300 HydrophobicContact CB-CZ2 4.36Å; P292-W300 HydrophobicContact CG-CH2 4Å; P292-W300 HydrophobicContact CG-CZ2 4.38Å; R296-W300 VanDerWaalsContact O-CD1 3.23Å; R296-W300 PolarHBondContact O-NE1 3.3Å; V297-W300 HydrophobicContact CB-CE3 4.42Å; V297-W300 HydrophobicContact CG1-CE3 4.05Å; V297-W300 HydrophobicContact CG1-CZ3 4.23Å; V297-W300 HydrophobicContact CG2-CE3 4.43Å; V297-W300 HydrophobicContact CG2-CH2 4.06Å; V297-W300 HydrophobicContact CG2-CZ2 4.39Å; V297-W300 HydrophobicContact CG2-CZ3 4.08Å; V297-W300 VanDerWaalsContact O-CB 3.3Å; V297-W300 WeakPolarHBondContact O-CB 3.37Å; V297-W300 PolarHBondContact O-N 3.22Å; V297-W300 VanDerWaalsContact O-N 3.12Å; E298-W300 PolarHBondContact O-N 3.41Å; W300-F302 VanDerWaalsContact C-N 3.28Å; W300-F302 PolarHBondContact O-N 3.26Å; W300-L307 HydrophobicContact CB-CB 4.22Å; W300-L307 HydrophobicContact CB-CD1 3.86Å; W300-L307 HydrophobicContact CD2-CD1 4.01Å; W300-L307 HydrophobicContact CE3-CD1 4.07Å; W300-L307 HydrophobicContact CG-CD1 3.93Å; W300-D310 PolarHBondContact NE1-OD2 3.37Å; W300-R312 HydrophobicContact CH2-CG 4.12Å; W300-R312 HydrophobicContact CZ2-CB 4.27Å; W300-R312 HydrophobicContact CZ2-CG 4.16Å; W300-G313 VanDerWaalsContact CZ2-CA 3.48Å; W300-D316 HydrophobicContact CH2-CB 4.49Å; W300-D316 HydrophobicContact CZ3-CB 4.15Å; W300-F405 WeakPolarHBondContact O-CE2 3.5Å; W300-F405 WeakPolarHBondContact O-CZ 3.41Å; W300-Y414 HydrophobicContact CE3-CE2 4.36Å; W300-I417 HydrophobicContact CH2-CG1 4.36Å; W300-I417 HydrophobicContact CZ3-CG1 4.16Å; W300-I417 HydrophobicContact CZ3-CG2 4.11Å
301S97.1Very high96.5Very high44 Ų4441 Ų4131%0.30820%0.203SC..THydrogen-bonded Turntrans-73.7-16.9178.976.20000114E298 R299 S303E298-S301 WeakPolarHBondContact O-CB 3.39Å; E298-S301 PolarHBondContact O-N 3.21Å; E298-S301 PolarHBondContact O-OG 3Å; R299-S301 PolarHBondContact O-N 3.47Å; S301-S303 VanDerWaalsContact C-N 3.34Å; S301-S303 PolarHBondContact O-N 3.37Å
302F96.8Very high96.6Very high60 Ų6041 Ų4126%0.26320%0.196SC..THydrogen-bonded Turntrans-67.6-36.9-176.2-65.7-7.4000112.1S257 Y258 H261 E298 R299 W300 E306S257-F302 WeakPolarHBondContact O-CE2 3.5Å; S257-F302 WeakPolarHBondContact O-CZ 3.38Å; Y258-F302 HydrophobicContact CD1-CD2 4.1Å; Y258-F302 HydrophobicContact CD1-CE2 4.23Å; Y258-F302 HydrophobicContact CD2-CD2 4.24Å; Y258-F302 AromaticContact CE1-CD2 3.68Å; Y258-F302 HydrophobicContact CE1-CD2 3.68Å; Y258-F302 HydrophobicContact CE1-CE2 4.26Å; Y258-F302 HydrophobicContact CE2-CB 4.46Å; Y258-F302 AromaticContact CE2-CD2 3.86Å; Y258-F302 HydrophobicContact CE2-CD2 3.86Å; Y258-F302 HydrophobicContact CG-CD2 4.38Å; Y258-F302 HydrophobicContact CG-CE2 4.38Å; Y258-F302 AromaticContact CZ-CD2 3.58Å; H261-F302 AromaticContact CD2-CE2 3.58Å; H261-F302 AromaticContact CD2-CZ 3.75Å; H261-F302 AromaticContact NE2-CE2 3.44Å; H261-F302 WeakPolarHBondContact NE2-CE2 3.23Å; H261-F302 AromaticContact NE2-CZ 3.23Å; H261-F302 WeakPolarHBondContact NE2-CZ 3.44Å; E298-F302 HydrophobicContact CG-CE1 4.27Å; R299-F302 HydrophobicContact CB-CD2 4.5Å; R299-F302 HydrophobicContact CG-CD2 4.01Å; R299-F302 HydrophobicContact CG-CE2 4.27Å; R299-F302 WeakPolarHBondContact O-CB 3.38Å; R299-F302 WeakPolarHBondContact O-CG 3.47Å; R299-F302 PolarHBondContact O-N 3.15Å; R299-F302 VanDerWaalsContact O-N 3.08Å; W300-F302 VanDerWaalsContact C-N 3.28Å; W300-F302 PolarHBondContact O-N 3.26Å; F302-E306 HydrophobicContact CB-CG 4.37Å
303S96.9Very high96.6Very high30 Ų3041 Ų4121%0.2120%0.196CC..  trans-165.7158.5173.470.80000111.9S301 F305 E306 L307S301-S303 VanDerWaalsContact C-N 3.34Å; S301-S303 PolarHBondContact O-N 3.37Å; S303-F305 PolarHBondContact O-N 3.28Å; S303-F305 VanDerWaalsContact O-N 3.17Å; S303-F305 PolarHBondContact OG-N 3.48Å; S303-E306 WeakPolarHBondContact O-CB 3.48Å; S303-E306 PolarHBondContact O-N 3.04Å; S303-E306 VanDerWaalsContact O-N 3.08Å; S303-E306 PolarHBondContact OG-N 3.4Å; S303-L307 PolarHBondContact O-N 3.05Å
304L97.5Very high96.5Very high1 Ų143.2 Ų43.21%0.00520%0.204CC..Hα-helixtrans-55.6-32.5169.4-18062.4000111.9E306 L307 L308 F317 F397 M400 K401 F405L304-E306 PolarHBondContact O-N 3.02Å; L304-L307 HydrophobicContact CD1-CD2 4.18Å; L304-L307 PolarHBondContact O-N 3.48Å; L304-L308 HydrophobicContact CD1-CD1 3.95Å; L304-L308 HydrophobicContact CD1-CD2 4.16Å; L304-L308 HydrophobicContact CD1-CG 3.7Å; L304-L308 HydrophobicContact CD2-CD1 4.19Å; L304-L308 HydrophobicContact CG-CD1 3.83Å; L304-L308 HydrophobicContact CG-CG 3.94Å; L304-L308 WeakPolarHBondContact O-CB 3.43Å; L304-L308 VanDerWaalsContact O-CG 3.27Å; L304-L308 WeakPolarHBondContact O-CG 3.48Å; L304-L308 PolarHBondContact O-N 3.02Å; L304-F317 HydrophobicContact CD1-CE1 4.24Å; L304-F317 HydrophobicContact CD1-CZ 4.41Å; L304-F397 HydrophobicContact CB-CZ 4.42Å; L304-F397 HydrophobicContact CD2-CD2 4.04Å; L304-F397 HydrophobicContact CD2-CE2 3.86Å; L304-F397 HydrophobicContact CD2-CZ 4.22Å; L304-F397 HydrophobicContact CG-CE2 4.01Å; L304-F397 HydrophobicContact CG-CZ 4.37Å; L304-M400 HydrophobicContact CD2-CB 3.81Å; L304-K401 HydrophobicContact CB-CB 4.43Å; L304-K401 HydrophobicContact CB-CG 4.38Å; L304-K401 HydrophobicContact CD2-CB 3.77Å; L304-F405 HydrophobicContact CB-CB 4.34Å; L304-F405 HydrophobicContact CB-CD1 4.3Å; L304-F405 HydrophobicContact CB-CD2 4.01Å; L304-F405 HydrophobicContact CB-CE2 4.4Å; L304-F405 HydrophobicContact CB-CG 3.95Å; L304-F405 HydrophobicContact CD1-CB 4.16Å; L304-F405 HydrophobicContact CD1-CD2 3.78Å; L304-F405 HydrophobicContact CD1-CG 4.18Å
305F96.1Very high96.5Very high121 Ų12140 Ų4053%0.53119%0.192SC..Hα-helixtrans-64.8-39.4178.3-177.2-95.3000112.3S303 L308 T309 F397S303-F305 PolarHBondContact O-N 3.28Å; S303-F305 VanDerWaalsContact O-N 3.17Å; S303-F305 PolarHBondContact OG-N 3.48Å; F305-L308 CarbonylContact O-C 3.6Å; F305-L308 PolarHBondContact O-N 3.19Å; F305-T309 WeakPolarHBondContact CE1-OG1 3.22Å; F305-T309 VanDerWaalsContact O-CB 3.31Å; F305-T309 WeakPolarHBondContact O-CB 3.45Å; F305-T309 PolarHBondContact O-N 3.04Å; F305-T309 PolarHBondContact O-OG1 2.93Å; F305-F397 HydrophobicContact CB-CZ 4.44Å
306E97.2Very high96.6Very high18 Ų1837.9 Ų37.98%0.08418%0.182CC..Hα-helixtrans-64-49.2175.2-76-66.2164.800111.2Y258 R299 F302 S303 L304 L308 T309 D310Y258-E306 HydrophobicContact CE1-CG 4.29Å; Y258-E306 VanDerWaalsContact CE1-OE1 3.27Å; Y258-E306 WeakPolarHBondContact CE1-OE1 3.47Å; Y258-E306 WeakPolarHBondContact OH-CG 3.47Å; Y258-E306 PolarHBondContact OH-OE1 2.91Å; R299-E306 HydrophobicContact CG-CG 4.33Å; R299-E306 IonicContact CZ-OE1 3.88Å; R299-E306 IonicContact CZ-OE2 3.12Å; R299-E306 VanDerWaalsContact NE-CD 3.25Å; R299-E306 IonicContact NE-OE1 3.3Å; R299-E306 PolarHBondContact NE-OE1 2.97Å; R299-E306 IonicContact NE-OE2 2.91Å; R299-E306 PolarHBondContact NE-OE2 3.36Å; R299-E306 IonicContact NH2-OE1 2.75Å; R299-E306 PolarHBondContact NH2-OE1 2.84Å; R299-E306 IonicContact NH2-OE2 3.24Å; R299-E306 PolarHBondContact NH2-OE2 3.5Å; R299-E306 WeakPolarHBondContact O-CB 3.28Å; F302-E306 HydrophobicContact CB-CG 4.37Å; S303-E306 WeakPolarHBondContact O-CB 3.48Å; S303-E306 PolarHBondContact O-N 3.04Å; S303-E306 VanDerWaalsContact O-N 3.08Å; S303-E306 PolarHBondContact OG-N 3.4Å; L304-E306 PolarHBondContact O-N 3.02Å; E306-L308 VanDerWaalsContact C-N 3.32Å; E306-L308 PolarHBondContact O-N 3.16Å; E306-T309 PolarHBondContact O-N 3.22Å; E306-T309 VanDerWaalsContact O-N 3.13Å; E306-D310 PolarHBondContact O-N 2.87Å
307L97.8Very high96.7Very high0 Ų036.6 Ų36.60%018%0.177CC..Hα-helixtrans-56.7-45.1175.3177.966.9000112.1W300 S303 L304 T309 G313 R314 F317 F405 Y408W300-L307 HydrophobicContact CB-CB 4.22Å; W300-L307 HydrophobicContact CB-CD1 3.86Å; W300-L307 HydrophobicContact CD2-CD1 4.01Å; W300-L307 HydrophobicContact CE3-CD1 4.07Å; W300-L307 HydrophobicContact CG-CD1 3.93Å; S303-L307 PolarHBondContact O-N 3.05Å; L304-L307 HydrophobicContact CD1-CD2 4.18Å; L304-L307 PolarHBondContact O-N 3.48Å; L307-T309 VanDerWaalsContact C-N 3.34Å; L307-G313 WeakPolarHBondContact CD1-O 3.3Å; L307-R314 PolarHBondContact O-N 3Å; L307-F317 HydrophobicContact CD1-CB 4.4Å; L307-F317 HydrophobicContact CD2-CB 4.02Å; L307-F317 HydrophobicContact CD2-CD1 4.2Å; L307-F317 HydrophobicContact CD2-CD2 3.85Å; L307-F317 HydrophobicContact CD2-CE2 4.37Å; L307-F317 HydrophobicContact CD2-CG 3.77Å; L307-F317 HydrophobicContact CG-CB 4.34Å; L307-F405 HydrophobicContact CB-CE2 4.15Å; L307-F405 HydrophobicContact CD2-CD2 3.81Å; L307-F405 HydrophobicContact CD2-CE2 3.86Å; L307-Y408 HydrophobicContact CD1-CE1 3.82Å; L307-Y408 HydrophobicContact CD2-CD1 3.75Å; L307-Y408 HydrophobicContact CD2-CE1 3.66Å; L307-Y408 HydrophobicContact CG-CE1 4.42Å
308L96.5Very high96.7Very high0 Ų040.4 Ų40.40%019%0.194CC..Hα-helixtrans-79.9-8.2179.6-64.8-171000113.4L304 F305 E306 R314 F317 L330 W333 F397 M400L304-L308 HydrophobicContact CD1-CD1 3.95Å; L304-L308 HydrophobicContact CD1-CD2 4.16Å; L304-L308 HydrophobicContact CD1-CG 3.7Å; L304-L308 HydrophobicContact CD2-CD1 4.19Å; L304-L308 HydrophobicContact CG-CD1 3.83Å; L304-L308 HydrophobicContact CG-CG 3.94Å; L304-L308 WeakPolarHBondContact O-CB 3.43Å; L304-L308 VanDerWaalsContact O-CG 3.27Å; L304-L308 WeakPolarHBondContact O-CG 3.48Å; L304-L308 PolarHBondContact O-N 3.02Å; F305-L308 CarbonylContact O-C 3.6Å; F305-L308 PolarHBondContact O-N 3.19Å; E306-L308 VanDerWaalsContact C-N 3.32Å; E306-L308 PolarHBondContact O-N 3.16Å; L308-R314 HydrophobicContact CD2-CG 4.34Å; L308-R314 PolarHBondContact O-NE 3.49Å; L308-R314 PolarHBondContact O-NH2 2.98Å; L308-F317 HydrophobicContact CD2-CD1 3.93Å; L308-F317 HydrophobicContact CD2-CE1 4.24Å; L308-L330 HydrophobicContact CD2-CD1 3.57Å; L308-W333 HydrophobicContact CB-CH2 4.05Å; L308-W333 HydrophobicContact CB-CZ3 4.26Å; L308-W333 HydrophobicContact CD1-CD2 4.16Å; L308-W333 HydrophobicContact CD1-CE3 4.2Å; L308-W333 HydrophobicContact CD1-CH2 4.23Å; L308-W333 HydrophobicContact CD1-CZ2 4.19Å; L308-W333 HydrophobicContact CD1-CZ3 4.23Å; L308-F397 HydrophobicContact CD1-CD2 4.04Å; L308-F397 HydrophobicContact CD1-CE2 3.98Å; L308-M400 HydrophobicContact CD1-CE 4.37Å
309T94.9Very high96.6Very high75 Ų7539.9 Ų39.946%0.4619%0.193SC..Hα-helixtrans-91-26.7173.2-59.50000110.4F305 E306 L307F305-T309 WeakPolarHBondContact CE1-OG1 3.22Å; F305-T309 VanDerWaalsContact O-CB 3.31Å; F305-T309 WeakPolarHBondContact O-CB 3.45Å; F305-T309 PolarHBondContact O-N 3.04Å; F305-T309 PolarHBondContact O-OG1 2.93Å; E306-T309 PolarHBondContact O-N 3.22Å; E306-T309 VanDerWaalsContact O-N 3.13Å; L307-T309 VanDerWaalsContact C-N 3.34Å
310D96.6Very high96.7Very high26 Ų2635.9 Ų35.914%0.13918%0.178CC..SBendtrans-79.7119.7175-167.5-39.2000111.9R296 W300 E306 R312 G313 R314R296-D310 WeakPolarHBondContact CG-OD2 3.48Å; R296-D310 IonicContact CZ-OD1 3.47Å; R296-D310 IonicContact CZ-OD2 2.8Å; R296-D310 IonicContact NE-OD1 3.01Å; R296-D310 PolarHBondContact NE-OD1 3.45Å; R296-D310 IonicContact NE-OD2 3.29Å; R296-D310 PolarHBondContact NE-OD2 2.92Å; R296-D310 IonicContact NH2-OD1 2.65Å; R296-D310 PolarHBondContact NH2-OD1 3.5Å; R296-D310 IonicContact NH2-OD2 3.68Å; R296-D310 PolarHBondContact NH2-OD2 3.09Å; W300-D310 PolarHBondContact NE1-OD2 3.37Å; E306-D310 PolarHBondContact O-N 2.87Å; D310-R312 VanDerWaalsContact C-N 3.31Å; D310-R312 PolarHBondContact O-N 2.92Å; D310-R312 WeakPolarHBondContact OD1-CA 3.15Å; D310-R312 WeakPolarHBondContact OD1-CB 3.36Å; D310-R312 PolarHBondContact OD1-N 3.45Å; D310-G313 PolarHBondContact O-N 3.06Å; D310-G313 PolarHBondContact OD1-N 2.89Å; D310-G313 VanDerWaalsContact OD1-N 3.12Å; D310-R314 WeakPolarHBondContact O-CG 3.38Å; D310-R314 PolarHBondContact O-N 3.32Å
311L95Very high96.6Very high51 Ų5135.9 Ų35.927%0.26718%0.178SC..Hα-helixtrans-60.5-40.2177.6-66.5-174.2000112.7R287 R288 R314 D315R287-L311 HydrophobicContact CB-CD1 4.22Å; R288-L311 HydrophobicContact CG-CB 4.49Å; R288-L311 HydrophobicContact CG-CD1 4.46Å; L311-R314 PolarHBondContact O-N 3.34Å; L311-D315 VanDerWaalsContact O-CG 3.27Å; L311-D315 PolarHBondContact O-N 3.2Å; L311-D315 VanDerWaalsContact O-N 3.07Å
312R95.9Very high96.5Very high54 Ų5441.9 Ų41.920%0.20420%0.199CC..Hα-helixtrans-70.9-36.2177.8-178.259.5-169.2164.12.9111.1V289 P292 W300 D310 D315 D316V289-R312 WeakPolarHBondContact O-CD 3.49Å; P292-R312 HydrophobicContact CB-CG 4.46Å; P292-R312 HydrophobicContact CG-CG 4.42Å; W300-R312 HydrophobicContact CH2-CG 4.12Å; W300-R312 HydrophobicContact CZ2-CB 4.27Å; W300-R312 HydrophobicContact CZ2-CG 4.16Å; D310-R312 VanDerWaalsContact C-N 3.31Å; D310-R312 PolarHBondContact O-N 2.92Å; D310-R312 WeakPolarHBondContact OD1-CA 3.15Å; D310-R312 WeakPolarHBondContact OD1-CB 3.36Å; D310-R312 PolarHBondContact OD1-N 3.45Å; R312-D315 PolarHBondContact O-N 3.41Å; R312-D316 PolarHBondContact O-N 3.08Å; R312-D316 VanDerWaalsContact O-N 3.07Å
313G96.9Very high96.3Very high0 Ų044.9 Ų44.90%021%0.212CC..Hα-helixtrans-60.8-44.9172.400000112.4W300 L307 D310 D315 D316 F317W300-G313 VanDerWaalsContact CZ2-CA 3.48Å; L307-G313 WeakPolarHBondContact CD1-O 3.3Å; D310-G313 PolarHBondContact O-N 3.06Å; D310-G313 PolarHBondContact OD1-N 2.89Å; D310-G313 VanDerWaalsContact OD1-N 3.12Å; G313-D315 VanDerWaalsContact C-N 3.35Å; G313-D315 PolarHBondContact O-N 3.45Å; G313-D316 PolarHBondContact O-N 3Å; G313-F317 WeakPolarHBondContact O-CB 3.41Å; G313-F317 PolarHBondContact O-N 3.24Å
314R96.6Very high96.1Very high54 Ų5446.5 Ų46.520%0.20422%0.216CC..Hα-helixtrans-58.8-44.2172.7-69.2179-160.5-175.9-0.7112.4L307 L308 D310 L311 D316 F317 K318L307-R314 PolarHBondContact O-N 3Å; L308-R314 HydrophobicContact CD2-CG 4.34Å; L308-R314 PolarHBondContact O-NE 3.49Å; L308-R314 PolarHBondContact O-NH2 2.98Å; D310-R314 WeakPolarHBondContact O-CG 3.38Å; D310-R314 PolarHBondContact O-N 3.32Å; L311-R314 PolarHBondContact O-N 3.34Å; R314-D316 VanDerWaalsContact C-N 3.33Å; R314-D316 PolarHBondContact O-N 3.22Å; R314-F317 PolarHBondContact O-N 3.23Å; R314-K318 WeakPolarHBondContact O-CB 3.45Å; R314-K318 VanDerWaalsContact O-CG 3.29Å; R314-K318 WeakPolarHBondContact O-CG 3.36Å; R314-K318 PolarHBondContact O-N 3.32Å
315D95.8Very high95.7Very high41 Ų4155.2 Ų55.222%0.21925%0.254CS..Hα-helixtrans-61.5-43-179.9-69.2-21.4000111.1L311 R312 G313 K318 I319L311-D315 VanDerWaalsContact O-CG 3.27Å; L311-D315 PolarHBondContact O-N 3.2Å; L311-D315 VanDerWaalsContact O-N 3.07Å; R312-D315 PolarHBondContact O-N 3.41Å; G313-D315 VanDerWaalsContact C-N 3.35Å; G313-D315 PolarHBondContact O-N 3.45Å; D315-K318 WeakPolarHBondContact O-CB 3.19Å; D315-K318 PolarHBondContact O-N 3.28Å; D315-I319 WeakPolarHBondContact O-CG1 3.29Å; D315-I319 PolarHBondContact O-N 3.31Å
316D96.7Very high95.5Very high9 Ų950.1 Ų50.15%0.04823%0.234CC..Hα-helixtrans-66.9-41.2175.5-165.676.2000112.1W300 R312 G313 R314 K318 I319 F320 Y408W300-D316 HydrophobicContact CH2-CB 4.49Å; W300-D316 HydrophobicContact CZ3-CB 4.15Å; R312-D316 PolarHBondContact O-N 3.08Å; R312-D316 VanDerWaalsContact O-N 3.07Å; G313-D316 PolarHBondContact O-N 3Å; R314-D316 VanDerWaalsContact C-N 3.33Å; R314-D316 PolarHBondContact O-N 3.22Å; D316-K318 VanDerWaalsContact C-N 3.32Å; D316-K318 PolarHBondContact O-N 3.17Å; D316-I319 WeakPolarHBondContact O-CB 3.44Å; D316-I319 PolarHBondContact O-N 3.34Å; D316-I319 VanDerWaalsContact O-N 3.14Å; D316-F320 PolarHBondContact O-N 2.96Å; D316-Y408 VanDerWaalsContact OD2-CE2 3.24Å; D316-Y408 WeakPolarHBondContact OD2-CE2 3.47Å; D316-Y408 VanDerWaalsContact OD2-CZ 3.32Å; D316-Y408 PolarHBondContact OD2-OH 3.31Å
317F97.7Very high95.4Very high0 Ų050.4 Ų50.40%024%0.241CC..Hα-helixtrans-62.8-37.9175.4-169.3-133.5000111.9L304 L307 L308 G313 R314 I319 F320 L321 L330 M400 T404 Y408L304-F317 HydrophobicContact CD1-CE1 4.24Å; L304-F317 HydrophobicContact CD1-CZ 4.41Å; L307-F317 HydrophobicContact CD1-CB 4.4Å; L307-F317 HydrophobicContact CD2-CB 4.02Å; L307-F317 HydrophobicContact CD2-CD1 4.2Å; L307-F317 HydrophobicContact CD2-CD2 3.85Å; L307-F317 HydrophobicContact CD2-CE2 4.37Å; L307-F317 HydrophobicContact CD2-CG 3.77Å; L307-F317 HydrophobicContact CG-CB 4.34Å; L308-F317 HydrophobicContact CD2-CD1 3.93Å; L308-F317 HydrophobicContact CD2-CE1 4.24Å; G313-F317 WeakPolarHBondContact O-CB 3.41Å; G313-F317 PolarHBondContact O-N 3.24Å; R314-F317 PolarHBondContact O-N 3.23Å; F317-I319 VanDerWaalsContact C-N 3.3Å; F317-I319 PolarHBondContact O-N 3.42Å; F317-F320 HydrophobicContact CD2-CD1 4.08Å; F317-F320 AromaticContact CE2-CD1 3.92Å; F317-F320 HydrophobicContact CE2-CD1 3.92Å; F317-F320 HydrophobicContact CE2-CE1 4.32Å; F317-F320 WeakPolarHBondContact O-CB 3.45Å; F317-F320 PolarHBondContact O-N 2.93Å; F317-F320 VanDerWaalsContact O-N 3.16Å; F317-L321 HydrophobicContact CD1-CD1 3.93Å; F317-L321 HydrophobicContact CD1-CG 4.41Å; F317-L321 HydrophobicContact CD2-CG 4.46Å; F317-L321 HydrophobicContact CE1-CD1 3.78Å; F317-L321 HydrophobicContact CE1-CD2 4.3Å; F317-L321 HydrophobicContact CE1-CG 4.25Å; F317-L321 HydrophobicContact CE2-CD2 4.11Å; F317-L321 HydrophobicContact CE2-CG 4.3Å; F317-L321 HydrophobicContact CG-CD1 4.44Å; F317-L321 HydrophobicContact CZ-CD1 4.19Å; F317-L321 HydrophobicContact CZ-CD2 3.87Å; F317-L321 HydrophobicContact CZ-CG 4.19Å; F317-L321 WeakPolarHBondContact O-CG 3.43Å; F317-L321 PolarHBondContact O-N 3.37Å; F317-L330 HydrophobicContact CD1-CD2 3.89Å; F317-L330 HydrophobicContact CE1-CD2 4.48Å; F317-M400 HydrophobicContact CE1-SD 4.28Å; F317-T404 HydrophobicContact CE2-CG2 4.15Å; F317-T404 HydrophobicContact CZ-CG2 3.91Å; F317-Y408 HydrophobicContact CD2-CD1 4.11Å; F317-Y408 AromaticContact CD2-CD2 3.8Å; F317-Y408 HydrophobicContact CD2-CD2 3.8Å; F317-Y408 HydrophobicContact CD2-CE2 4.32Å; F317-Y408 AromaticContact CD2-CG 3.66Å; F317-Y408 HydrophobicContact CD2-CG 3.66Å; F317-Y408 HydrophobicContact CE2-CD2 4.47Å; F317-Y408 HydrophobicContact CE2-CG 4.01Å
318K96.8Very high95.3Very high79 Ų7952.8 Ų52.834%0.34325%0.252SS..Hα-helixtrans-60-37.8173.4-76.9171.6-176.6177.80112.4R314 D315 D316 F320 L321 K322 L330 E334R314-K318 WeakPolarHBondContact O-CB 3.45Å; R314-K318 VanDerWaalsContact O-CG 3.29Å; R314-K318 WeakPolarHBondContact O-CG 3.36Å; R314-K318 PolarHBondContact O-N 3.32Å; D315-K318 WeakPolarHBondContact O-CB 3.19Å; D315-K318 PolarHBondContact O-N 3.28Å; D316-K318 VanDerWaalsContact C-N 3.32Å; D316-K318 PolarHBondContact O-N 3.17Å; K318-F320 VanDerWaalsContact C-N 3.33Å; K318-L321 PolarHBondContact O-N 3.33Å; K318-K322 WeakPolarHBondContact O-CB 3.32Å; K318-K322 PolarHBondContact O-N 3.23Å; K318-L330 HydrophobicContact CD-CD2 4.37Å; K318-L330 HydrophobicContact CG-CD2 3.52Å; K318-E334 VanDerWaalsContact CE-OE1 3.25Å; K318-E334 WeakPolarHBondContact CE-OE1 3.25Å; K318-E334 VanDerWaalsContact CE-OE2 3.23Å; K318-E334 WeakPolarHBondContact CE-OE2 3.49Å; K318-E334 IonicContact NZ-OE1 3.13Å; K318-E334 PolarHBondContact NZ-OE1 3.02Å; K318-E334 IonicContact NZ-OE2 2.74Å; K318-E334 PolarHBondContact NZ-OE2 3.21Å
319I96Very high95.3Very high80 Ų8053.6 Ų53.641%0.4126%0.257SS..Hα-helixtrans-61.9-44.5175.7-64.2167.9000110.1D315 D316 F317 K323 T413D315-I319 WeakPolarHBondContact O-CG1 3.29Å; D315-I319 PolarHBondContact O-N 3.31Å; D316-I319 WeakPolarHBondContact O-CB 3.44Å; D316-I319 PolarHBondContact O-N 3.34Å; D316-I319 VanDerWaalsContact O-N 3.14Å; F317-I319 VanDerWaalsContact C-N 3.3Å; F317-I319 PolarHBondContact O-N 3.42Å; I319-K323 PolarHBondContact O-N 2.97Å; I319-T413 HydrophobicContact CB-CG2 4.39Å; I319-T413 HydrophobicContact CG2-CG2 4.15Å
320F97.5Very high95.3Very high9 Ų950.1 Ų50.14%0.03924%0.235CC..Hα-helixtrans-63.1-49.7176169.8-101.4000112.2D316 F317 K318 K322 K323 E324 T404 R407 Y408 T413D316-F320 PolarHBondContact O-N 2.96Å; F317-F320 HydrophobicContact CD2-CD1 4.08Å; F317-F320 AromaticContact CE2-CD1 3.92Å; F317-F320 HydrophobicContact CE2-CD1 3.92Å; F317-F320 HydrophobicContact CE2-CE1 4.32Å; F317-F320 WeakPolarHBondContact O-CB 3.45Å; F317-F320 PolarHBondContact O-N 2.93Å; F317-F320 VanDerWaalsContact O-N 3.16Å; K318-F320 VanDerWaalsContact C-N 3.33Å; F320-K322 VanDerWaalsContact C-N 3.26Å; F320-K322 PolarHBondContact O-N 3.3Å; F320-K323 WeakPolarHBondContact O-CB 3.37Å; F320-K323 PolarHBondContact O-N 3.33Å; F320-E324 WeakPolarHBondContact CE1-OE2 3.45Å; F320-E324 HydrophobicContact CE2-CG 4.15Å; F320-E324 WeakPolarHBondContact CE2-OE1 3.32Å; F320-E324 HydrophobicContact CZ-CG 4.08Å; F320-E324 WeakPolarHBondContact CZ-OE1 3.39Å; F320-E324 VanDerWaalsContact CZ-OE2 3.27Å; F320-E324 WeakPolarHBondContact CZ-OE2 3.43Å; F320-E324 PolarHBondContact O-N 3.45Å; F320-T404 HydrophobicContact CE1-CG2 3.89Å; F320-R407 HydrophobicContact CZ-CB 3.92Å; F320-Y408 HydrophobicContact CB-CD2 3.7Å; F320-Y408 HydrophobicContact CB-CE2 4.25Å; F320-Y408 HydrophobicContact CD1-CD2 4Å; F320-Y408 HydrophobicContact CD1-CG 4.33Å; F320-Y408 HydrophobicContact CD2-CD2 4.36Å; F320-Y408 AromaticContact CG-CD2 3.76Å; F320-Y408 HydrophobicContact CG-CD2 3.76Å; F320-Y408 HydrophobicContact CG-CG 4.47Å; F320-T413 HydrophobicContact CB-CG2 4.3Å
321L96.5Very high95.4Very high1 Ų149.6 Ų49.61%0.00523%0.234CC..Hα-helixtrans-61.5-33.8-180-65.1176.2000112.8F317 K318 K323 E324 F325 S326 L330 T404F317-L321 HydrophobicContact CD1-CD1 3.93Å; F317-L321 HydrophobicContact CD1-CG 4.41Å; F317-L321 HydrophobicContact CD2-CG 4.46Å; F317-L321 HydrophobicContact CE1-CD1 3.78Å; F317-L321 HydrophobicContact CE1-CD2 4.3Å; F317-L321 HydrophobicContact CE1-CG 4.25Å; F317-L321 HydrophobicContact CE2-CD2 4.11Å; F317-L321 HydrophobicContact CE2-CG 4.3Å; F317-L321 HydrophobicContact CG-CD1 4.44Å; F317-L321 HydrophobicContact CZ-CD1 4.19Å; F317-L321 HydrophobicContact CZ-CD2 3.87Å; F317-L321 HydrophobicContact CZ-CG 4.19Å; F317-L321 WeakPolarHBondContact O-CG 3.43Å; F317-L321 PolarHBondContact O-N 3.37Å; K318-L321 PolarHBondContact O-N 3.33Å; L321-K323 VanDerWaalsContact C-N 3.33Å; L321-K323 PolarHBondContact O-N 3.06Å; L321-E324 CarbonylContact O-C 3.58Å; L321-E324 PolarHBondContact O-N 3.28Å; L321-F325 PolarHBondContact O-N 3.01Å; L321-S326 VanDerWaalsContact CD2-OG 3.31Å; L321-S326 WeakPolarHBondContact CD2-OG 3.47Å; L321-S326 PolarHBondContact O-N 3.07Å; L321-L330 HydrophobicContact CD1-CB 3.49Å; L321-L330 VanDerWaalsContact CD1-CB 3.49Å; L321-L330 HydrophobicContact CD1-CD2 3.67Å; L321-L330 HydrophobicContact CD1-CG 4.23Å; L321-T404 HydrophobicContact CD2-CG2 3.33Å
322K94.8Very high95.5Very high170 Ų17047.1 Ų47.174%0.73922%0.221SC*.Hα-helixtrans-64.3-37.6175.3-172.4177.4-179.9-179.10112K318 F320 E324 F325K318-K322 WeakPolarHBondContact O-CB 3.32Å; K318-K322 PolarHBondContact O-N 3.23Å; F320-K322 VanDerWaalsContact C-N 3.26Å; F320-K322 PolarHBondContact O-N 3.3Å; K322-E324 VanDerWaalsContact C-N 3.27Å; K322-E324 PolarHBondContact O-N 3.37Å; K322-F325 PolarHBondContact O-N 3.14Å
323K92.9Very high95.6Very high123 Ų12345.5 Ų45.554%0.53522%0.215SC..Hα-helixtrans-67.3-29.7175.9-67.9177.2-178.5176.50112.2I319 F320 L321 T413I319-K323 PolarHBondContact O-N 2.97Å; F320-K323 WeakPolarHBondContact O-CB 3.37Å; F320-K323 PolarHBondContact O-N 3.33Å; L321-K323 VanDerWaalsContact C-N 3.33Å; L321-K323 PolarHBondContact O-N 3.06Å; K323-T413 PolarHBondContact NZ-OG1 3.26Å
324E93Very high95.6Very high64 Ų6447.8 Ų47.830%0.29923%0.226SC..THydrogen-bonded Turntrans-96.96.8179.3-63.4-164.4151.900113.9F320 L321 K322 S326 R407F320-E324 WeakPolarHBondContact CE1-OE2 3.45Å; F320-E324 HydrophobicContact CE2-CG 4.15Å; F320-E324 WeakPolarHBondContact CE2-OE1 3.32Å; F320-E324 HydrophobicContact CZ-CG 4.08Å; F320-E324 WeakPolarHBondContact CZ-OE1 3.39Å; F320-E324 VanDerWaalsContact CZ-OE2 3.27Å; F320-E324 WeakPolarHBondContact CZ-OE2 3.43Å; F320-E324 PolarHBondContact O-N 3.45Å; L321-E324 CarbonylContact O-C 3.58Å; L321-E324 PolarHBondContact O-N 3.28Å; K322-E324 VanDerWaalsContact C-N 3.27Å; K322-E324 PolarHBondContact O-N 3.37Å; E324-S326 PolarHBondContact O-N 2.96Å; E324-R407 IonicContact OE1-CZ 3.9Å; E324-R407 IonicContact OE1-NH1 3.85Å; E324-R407 PolarHBondContact OE1-NH1 2.81Å; E324-R407 IonicContact OE2-CZ 3.18Å; E324-R407 IonicContact OE2-NH1 2.88Å; E324-R407 PolarHBondContact OE2-NH1 3.44Å; E324-R407 IonicContact OE2-NH2 3.51Å
325F89.4Confident95.6Very high184 Ų18446.1 Ų46.181%0.80722%0.223SC*.THydrogen-bonded Turntrans51.139.4-176.5-55.9-88.7000113.3L321 K322L321-F325 PolarHBondContact O-N 3.01Å; K322-F325 PolarHBondContact O-N 3.14Å
326S91.4Very high95.6Very high15 Ų1544.3 Ų44.311%0.10521%0.214CC..  trans-125.922.2-174.760.70000114.2L321 E324 E328L321-S326 VanDerWaalsContact CD2-OG 3.31Å; L321-S326 WeakPolarHBondContact CD2-OG 3.47Å; L321-S326 PolarHBondContact O-N 3.07Å; E324-S326 PolarHBondContact O-N 2.96Å; S326-E328 VanDerWaalsContact C-N 3.33Å; S326-E328 VanDerWaalsContact C-OE2 3.3Å; S326-E328 WeakPolarHBondContact CA-OE1 3.45Å; S326-E328 PolarHBondContact O-N 3.21Å
327G94.1Very high95.6Very high23 Ų2346.1 Ų46.124%0.23722%0.222CC..Hα-helixtrans-74.6-16-173.600000115.2A331 R365G327-A331 PolarHBondContact O-N 3.4Å; G327-R365 PolarHBondContact O-NH2 3.4Å
328E96.1Very high95.4Very high50 Ų5051.6 Ų51.623%0.23425%0.248CC..Hα-helixtrans-62.4-37.3176.362.8-72159.900112.9S326 L330 A331 F332 R365 I367S326-E328 VanDerWaalsContact C-N 3.33Å; S326-E328 VanDerWaalsContact C-OE2 3.3Å; S326-E328 WeakPolarHBondContact CA-OE1 3.45Å; S326-E328 PolarHBondContact O-N 3.21Å; E328-L330 PolarHBondContact O-N 2.88Å; E328-A331 PolarHBondContact O-N 2.97Å; E328-F332 WeakPolarHBondContact O-CB 3.42Å; E328-F332 PolarHBondContact O-N 3.38Å; E328-R365 HydrophobicContact CB-CB 4.23Å; E328-I367 HydrophobicContact CB-CG2 3.89Å; E328-I367 HydrophobicContact CG-CG2 3.62Å
329N95.7Very high95.4Very high18 Ų1848.1 Ų48.110%0.09623%0.233CC..Hα-helixtrans-62.1-47179.5-71.3-39.1000112.1W333 V396 M400N329-W333 PolarHBondContact O-N 3.34Å; N329-V396 HydrophobicContact CB-CG1 3.82Å; N329-V396 WeakPolarHBondContact O-CG1 3.5Å; N329-M400 HydrophobicContact CB-CG 4.16Å; N329-M400 HydrophobicContact CB-SD 3.94Å
330L96.7Very high95.3Very high2 Ų245.6 Ų45.61%0.0122%0.219CC..Hα-helixtrans-67.6-41.3177.217860.3000111.4L308 F317 K318 L321 E328 F332 W333 E334 M400L308-L330 HydrophobicContact CD2-CD1 3.57Å; F317-L330 HydrophobicContact CD1-CD2 3.89Å; F317-L330 HydrophobicContact CE1-CD2 4.48Å; K318-L330 HydrophobicContact CD-CD2 4.37Å; K318-L330 HydrophobicContact CG-CD2 3.52Å; L321-L330 HydrophobicContact CD1-CB 3.49Å; L321-L330 VanDerWaalsContact CD1-CB 3.49Å; L321-L330 HydrophobicContact CD1-CD2 3.67Å; L321-L330 HydrophobicContact CD1-CG 4.23Å; E328-L330 PolarHBondContact O-N 2.88Å; L330-F332 VanDerWaalsContact C-N 3.35Å; L330-F332 PolarHBondContact O-N 3.04Å; L330-W333 HydrophobicContact CD1-CE3 4.22Å; L330-W333 PolarHBondContact O-N 2.73Å; L330-E334 HydrophobicContact CD1-CG 4.24Å; L330-E334 HydrophobicContact CG-CG 4.43Å; L330-E334 WeakPolarHBondContact O-CG 3.43Å; L330-E334 PolarHBondContact O-N 3.44Å; L330-M400 HydrophobicContact CB-SD 4.25Å
331A97.3Very high95.2Very high14 Ų1453.7 Ų53.712%0.11625%0.25CC..Hα-helixtrans-65.1-38.4179.100000112.7G327 E328 E334 A335 F358 R365G327-A331 PolarHBondContact O-N 3.4Å; E328-A331 PolarHBondContact O-N 2.97Å; A331-E334 PolarHBondContact O-N 3.16Å; A331-A335 WeakPolarHBondContact O-CB 3.32Å; A331-A335 PolarHBondContact O-N 3.48Å; A331-F358 HydrophobicContact CB-CE1 3.94Å; A331-F358 HydrophobicContact CB-CZ 3.99Å; A331-R365 VanDerWaalsContact CB-NH1 3.25Å
332F97.9Very high94.9Very high0 Ų054.6 Ų54.60%026%0.259CS..Hα-helixtrans-61.5-46.1171.1170.9-102.1000111.1E328 L330 E334 A335 A336 I354 F358 L359 I367 L389 A392 Q393 V396E328-F332 WeakPolarHBondContact O-CB 3.42Å; E328-F332 PolarHBondContact O-N 3.38Å; L330-F332 VanDerWaalsContact C-N 3.35Å; L330-F332 PolarHBondContact O-N 3.04Å; F332-E334 VanDerWaalsContact C-N 3.34Å; F332-E334 PolarHBondContact O-N 2.77Å; F332-A335 PolarHBondContact O-N 3.43Å; F332-A336 WeakPolarHBondContact O-CB 3.46Å; F332-A336 PolarHBondContact O-N 2.88Å; F332-I354 HydrophobicContact CD2-CG2 3.91Å; F332-I354 HydrophobicContact CE2-CG2 3.81Å; F332-F358 HydrophobicContact CB-CB 4.37Å; F332-F358 HydrophobicContact CB-CD1 3.75Å; F332-F358 HydrophobicContact CB-CD2 4.42Å; F332-F358 HydrophobicContact CB-CE1 4.07Å; F332-F358 HydrophobicContact CB-CG 3.95Å; F332-F358 HydrophobicContact CD2-CB 3.68Å; F332-F358 HydrophobicContact CD2-CD2 4.04Å; F332-F358 AromaticContact CD2-CG 3.85Å; F332-F358 HydrophobicContact CD2-CG 3.85Å; F332-F358 HydrophobicContact CE2-CB 4.46Å; F332-F358 HydrophobicContact CG-CB 4.38Å; F332-F358 HydrophobicContact CG-CG 4.37Å; F332-L359 HydrophobicContact CE2-CD1 4.02Å; F332-L359 HydrophobicContact CE2-CD2 4.36Å; F332-L359 HydrophobicContact CE2-CG 4.15Å; F332-L359 HydrophobicContact CZ-CD1 4.36Å; F332-I367 HydrophobicContact CB-CD1 3.93Å; F332-I367 HydrophobicContact CB-CG2 4.43Å; F332-I367 HydrophobicContact CD1-CD1 3.42Å; F332-I367 VanDerWaalsContact CD1-CD1 3.42Å; F332-I367 HydrophobicContact CD2-CD1 3.78Å; F332-I367 HydrophobicContact CE1-CD1 3.79Å; F332-I367 HydrophobicContact CE2-CD1 4.13Å; F332-I367 HydrophobicContact CG-CD1 3.4Å; F332-I367 VanDerWaalsContact CG-CD1 3.4Å; F332-I367 HydrophobicContact CZ-CD1 4.14Å; F332-L389 HydrophobicContact CE2-CD1 4.41Å; F332-A392 HydrophobicContact CE1-CB 4.06Å; F332-A392 HydrophobicContact CZ-CB 3.66Å; F332-Q393 HydrophobicContact CE1-CB 4.5Å; F332-V396 HydrophobicContact CD1-CB 4.11Å; F332-V396 HydrophobicContact CD1-CG1 4.23Å; F332-V396 HydrophobicContact CD1-CG2 3.76Å; F332-V396 HydrophobicContact CE1-CB 4.34Å; F332-V396 HydrophobicContact CE1-CG2 3.87Å
333W97.1Very high94.8Very high20 Ų2050.6 Ų50.68%0.07625%0.249CC..Hα-helixtrans-60.7-42.4178.4-178.189.5000112.3L308 N329 L330 A336 E337 Q393 F397 M400L308-W333 HydrophobicContact CB-CH2 4.05Å; L308-W333 HydrophobicContact CB-CZ3 4.26Å; L308-W333 HydrophobicContact CD1-CD2 4.16Å; L308-W333 HydrophobicContact CD1-CE3 4.2Å; L308-W333 HydrophobicContact CD1-CH2 4.23Å; L308-W333 HydrophobicContact CD1-CZ2 4.19Å; L308-W333 HydrophobicContact CD1-CZ3 4.23Å; N329-W333 PolarHBondContact O-N 3.34Å; L330-W333 HydrophobicContact CD1-CE3 4.22Å; L330-W333 PolarHBondContact O-N 2.73Å; W333-A336 PolarHBondContact O-N 3.4Å; W333-E337 HydrophobicContact CD2-CG 4.33Å; W333-E337 HydrophobicContact CE3-CG 4.34Å; W333-E337 HydrophobicContact CH2-CG 3.81Å; W333-E337 HydrophobicContact CZ2-CG 3.77Å; W333-E337 HydrophobicContact CZ3-CG 4.1Å; W333-E337 PolarHBondContact O-N 2.97Å; W333-Q393 HydrophobicContact CG-CG 4.35Å; W333-Q393 PolarHBondContact O-NE2 2.93Å; W333-F397 AromaticContact NE1-CD2 3.65Å; W333-M400 HydrophobicContact CB-CE 4.12Å; W333-M400 HydrophobicContact CG-CE 4.29Å
334E96.8Very high94.8Very high48 Ų4848.1 Ų48.122%0.22425%0.251CS..Hα-helixtrans-63.5-44.7175.3-72.7-177139.800111.6K318 L330 A331 F332 A336 E337 E338K318-E334 VanDerWaalsContact CE-OE1 3.25Å; K318-E334 WeakPolarHBondContact CE-OE1 3.25Å; K318-E334 VanDerWaalsContact CE-OE2 3.23Å; K318-E334 WeakPolarHBondContact CE-OE2 3.49Å; K318-E334 IonicContact NZ-OE1 3.13Å; K318-E334 PolarHBondContact NZ-OE1 3.02Å; K318-E334 IonicContact NZ-OE2 2.74Å; K318-E334 PolarHBondContact NZ-OE2 3.21Å; L330-E334 HydrophobicContact CD1-CG 4.24Å; L330-E334 HydrophobicContact CG-CG 4.43Å; L330-E334 WeakPolarHBondContact O-CG 3.43Å; L330-E334 PolarHBondContact O-N 3.44Å; A331-E334 PolarHBondContact O-N 3.16Å; F332-E334 VanDerWaalsContact C-N 3.34Å; F332-E334 PolarHBondContact O-N 2.77Å; E334-A336 VanDerWaalsContact C-N 3.33Å; E334-A336 PolarHBondContact O-N 3.5Å; E334-E337 PolarHBondContact O-N 2.9Å; E334-E338 PolarHBondContact O-N 3.23Å
335A97.1Very high94.9Very high18 Ų1850.8 Ų50.815%0.14928%0.277CS..Hα-helixtrans-64.6-37.7177.800000112.1A331 F332 E338 L339 I354 F358A331-A335 WeakPolarHBondContact O-CB 3.32Å; A331-A335 PolarHBondContact O-N 3.48Å; F332-A335 PolarHBondContact O-N 3.43Å; A335-E338 PolarHBondContact O-N 2.9Å; A335-L339 PolarHBondContact O-N 3.38Å; A335-I354 HydrophobicContact CB-CD1 3.98Å; A335-I354 HydrophobicContact CB-CG1 3.94Å; A335-I354 WeakPolarHBondContact O-CD1 3.48Å; A335-F358 HydrophobicContact CB-CE2 4.21Å
336A96.8Very high95.1Very high3 Ų343.4 Ų43.43%0.02525%0.249CC..Hα-helixtrans-67.6-37.7174.300000112.4F332 W333 E334 L339 K340 L389 Q393F332-A336 WeakPolarHBondContact O-CB 3.46Å; F332-A336 PolarHBondContact O-N 2.88Å; W333-A336 PolarHBondContact O-N 3.4Å; E334-A336 VanDerWaalsContact C-N 3.33Å; E334-A336 PolarHBondContact O-N 3.5Å; A336-L339 PolarHBondContact O-N 3.45Å; A336-K340 WeakPolarHBondContact O-CB 3.41Å; A336-K340 PolarHBondContact O-N 3.34Å; A336-L389 HydrophobicContact CB-CB 4.35Å; A336-L389 HydrophobicContact CB-CD1 4.36Å; A336-Q393 HydrophobicContact CB-CB 3.97Å; A336-Q393 HydrophobicContact CB-CG 3.76Å
337E95.2Very high95.3Very high47 Ų4744 Ų4422%0.2225%0.25CS..Hα-helixtrans-64.4-41.7171-83.4-53.8106.400111.4W333 E334 L339 K340 W341 Q393W333-E337 HydrophobicContact CD2-CG 4.33Å; W333-E337 HydrophobicContact CE3-CG 4.34Å; W333-E337 HydrophobicContact CH2-CG 3.81Å; W333-E337 HydrophobicContact CZ2-CG 3.77Å; W333-E337 HydrophobicContact CZ3-CG 4.1Å; W333-E337 PolarHBondContact O-N 2.97Å; E334-E337 PolarHBondContact O-N 2.9Å; E337-L339 VanDerWaalsContact C-N 3.35Å; E337-L339 PolarHBondContact O-N 2.73Å; E337-K340 PolarHBondContact O-N 3.09Å; E337-K340 IonicContact OE1-NZ 3.89Å; E337-K340 PolarHBondContact OE1-NZ 3.5Å; E337-W341 PolarHBondContact O-N 3.22Å; E337-W341 PolarHBondContact OE2-NE1 3.32Å; E337-Q393 VanDerWaalsContact CG-NE2 3.3Å; E337-Q393 PolarHBondContact OE1-NE2 3.28Å; E337-Q393 PolarHBondContact OE1-OE1 3.08Å
338E94.9Very high95.3Very high116 Ų11645.7 Ų45.754%0.54226%0.258SS..Hα-helixtrans-64.3-39.2177.5-162.9-165.2143.700112.1E334 A335 K340 G342 K350E334-E338 PolarHBondContact O-N 3.23Å; A335-E338 PolarHBondContact O-N 2.9Å; E338-K340 VanDerWaalsContact C-N 3.34Å; E338-G342 VanDerWaalsContact O-CA 3.27Å; E338-G342 WeakPolarHBondContact O-CA 3.31Å; E338-G342 PolarHBondContact O-N 2.96Å; E338-K350 IonicContact OE1-NZ 2.67Å; E338-K350 PolarHBondContact OE1-NZ 3.25Å
339L95.9Very high95.2Very high5 Ų546.6 Ų46.63%0.02627%0.274CS..Hα-helixtrans-61.2-44.8171.9177.266.8000111.1A335 A336 E337 W341 M347 K350 A351 I354 V388 L389A335-L339 PolarHBondContact O-N 3.38Å; A336-L339 PolarHBondContact O-N 3.45Å; E337-L339 VanDerWaalsContact C-N 3.35Å; E337-L339 PolarHBondContact O-N 2.73Å; L339-W341 VanDerWaalsContact C-N 3.31Å; L339-W341 PolarHBondContact O-N 3.34Å; L339-M347 HydrophobicContact CD1-CB 4.49Å; L339-M347 HydrophobicContact CD1-CG 3.89Å; L339-M347 WeakPolarHBondContact CD1-O 3.28Å; L339-K350 HydrophobicContact CD1-CB 3.79Å; L339-A351 HydrophobicContact CD1-CB 4.29Å; L339-A351 HydrophobicContact CD2-CB 3.99Å; L339-I354 HydrophobicContact CB-CD1 3.92Å; L339-I354 HydrophobicContact CD2-CD1 4.28Å; L339-V388 HydrophobicContact CD2-CG1 4.05Å; L339-L389 HydrophobicContact CD2-CD1 3.64Å; L339-L389 HydrophobicContact CD2-CG 3.85Å
340K95.2Very high95.2Very high27 Ų2748.6 Ų48.612%0.11728%0.282CS..Hα-helixtrans-65.2-32.4-177.5-169.6-174.6-65.3157.30112.6A336 E337 E338 R386 Y387A336-K340 WeakPolarHBondContact O-CB 3.41Å; A336-K340 PolarHBondContact O-N 3.34Å; E337-K340 PolarHBondContact O-N 3.09Å; E337-K340 IonicContact OE1-NZ 3.89Å; E337-K340 PolarHBondContact OE1-NZ 3.5Å; E338-K340 VanDerWaalsContact C-N 3.34Å; K340-R386 HydrophobicContact CG-CG 4.21Å; K340-R386 WeakPolarHBondContact O-CD 3.47Å; K340-R386 WeakPolarHBondContact O-CG 3.31Å; K340-R386 PolarHBondContact O-NE 3.43Å; K340-R386 PolarHBondContact O-NH1 3.12Å; K340-Y387 HydrophobicContact CD-CD1 4.49Å; K340-Y387 HydrophobicContact CD-CE1 4.33Å; K340-Y387 HydrophobicContact CG-CD1 4.32Å; K340-Y387 HydrophobicContact CG-CE1 4.13Å
341W93.9Very high95.2Very high179 Ų17948.5 Ų48.568%0.67828%0.281SS*.Hα-helixtrans-108.2-3.9-178.2-58.2109.4000114.1E337 L339E337-W341 PolarHBondContact O-N 3.22Å; E337-W341 PolarHBondContact OE2-NE1 3.32Å; L339-W341 VanDerWaalsContact C-N 3.31Å; L339-W341 PolarHBondContact O-N 3.34Å
342G91.4Very high95.2Very high20 Ų2052.1 Ų52.121%0.20630%0.296CS..SBendtrans-72.6-177.7-178.500000115.4E338 R386E338-G342 VanDerWaalsContact O-CA 3.27Å; E338-G342 WeakPolarHBondContact O-CA 3.31Å; E338-G342 PolarHBondContact O-N 2.96Å; G342-R386 PolarHBondContact O-NH1 3.27Å; G342-R386 PolarHBondContact O-NH2 3.4Å
343T92.3Very high95.1Very high87 Ų8755.3 Ų55.353%0.53432%0.318SS..  trans-71.1142.1178.658.70000111.5S345 S346T343-S345 VanDerWaalsContact C-N 3.29Å; T343-S345 PolarHBondContact O-N 3.49Å; T343-S346 PolarHBondContact O-N 2.95Å; T343-S346 PolarHBondContact O-OG 3.41Å; T343-S346 PolarHBondContact OG1-OG 3.14Å
344A93.3Very high95.1Very high70 Ų7055 Ų5558%0.57932%0.318SS*.G310 helixtrans-65.4-32.6-178.600000112.9S346 M347A344-S346 VanDerWaalsContact C-N 3.3Å; A344-S346 PolarHBondContact O-N 3.37Å; A344-M347 HydrophobicContact CB-CE 4.02Å; A344-M347 WeakPolarHBondContact O-CB 3.09Å; A344-M347 PolarHBondContact O-N 3.47Å
345S94.4Very high95.1Very high120 Ų12055 Ų5584%0.83932%0.317SS*.G310 helixtrans-65.1-28.4-18051.70000114.2T343T343-S345 VanDerWaalsContact C-N 3.29Å; T343-S345 PolarHBondContact O-N 3.49Å
346S93.6Very high95.1Very high30 Ų3060.3 Ų60.321%0.2134%0.337CS..G310 helixtrans-96.2-0.2179.964.60000113.2T343 A344 S348 A349 K350T343-S346 PolarHBondContact O-N 2.95Å; T343-S346 PolarHBondContact O-OG 3.41Å; T343-S346 PolarHBondContact OG1-OG 3.14Å; A344-S346 VanDerWaalsContact C-N 3.3Å; A344-S346 PolarHBondContact O-N 3.37Å; S346-S348 PolarHBondContact O-N 2.86Å; S346-A349 PolarHBondContact O-N 2.89Å; S346-K350 WeakPolarHBondContact O-CB 3.48Å; S346-K350 WeakPolarHBondContact O-CG 3.32Å; S346-K350 PolarHBondContact O-N 2.89Å; S346-K350 WeakPolarHBondContact OG-CE 3.5Å
347M94.8Very high95.2Very high28 Ų2862.1 Ų62.114%0.13835%0.348CS..Hα-helixtrans-62-49.5-167.3-172.6-172.4-51.900113.5L339 A344 K350 A351 H385 R386L339-M347 HydrophobicContact CD1-CB 4.49Å; L339-M347 HydrophobicContact CD1-CG 3.89Å; L339-M347 WeakPolarHBondContact CD1-O 3.28Å; A344-M347 HydrophobicContact CB-CE 4.02Å; A344-M347 WeakPolarHBondContact O-CB 3.09Å; A344-M347 PolarHBondContact O-N 3.47Å; M347-K350 PolarHBondContact O-N 3.26Å; M347-A351 WeakPolarHBondContact O-CB 3.34Å; M347-A351 PolarHBondContact O-N 2.8Å; M347-H385 WeakPolarHBondContact SD-CA 3.26Å; M347-R386 HydrophobicContact CE-CB 4.08Å; M347-R386 HydrophobicContact SD-CB 4.1Å; M347-R386 PolarHBondContact SD-N 2.9Å
348S94.1Very high95.3Very high58 Ų5860.4 Ų60.441%0.40634%0.34SS..Hα-helixtrans-64.3-49.4-179.2158.10000111.2S346 K350 A351 E352S346-S348 PolarHBondContact O-N 2.86Å; S348-K350 VanDerWaalsContact C-N 3.33Å; S348-K350 PolarHBondContact O-N 3.17Å; S348-A351 PolarHBondContact O-N 2.88Å; S348-E352 PolarHBondContact O-N 3.42Å
349A95.4Very high95.4Very high68 Ų6855 Ų5556%0.56232%0.315SS*.Hα-helixtrans-59.4-41.5177.200000112.6S346 S353S346-A349 PolarHBondContact O-N 2.89Å; A349-S353 WeakPolarHBondContact O-CB 3.31Å; A349-S353 PolarHBondContact O-N 3.15Å
350K96.1Very high95.3Very high60 Ų6055.6 Ų55.626%0.26132%0.32SS..Hα-helixtrans-65.8-44.4175.6-76.3-169.4-178.2-1650112.1E338 L339 S346 M347 S348 E352 S353 I354E338-K350 IonicContact OE1-NZ 2.67Å; E338-K350 PolarHBondContact OE1-NZ 3.25Å; L339-K350 HydrophobicContact CD1-CB 3.79Å; S346-K350 WeakPolarHBondContact O-CB 3.48Å; S346-K350 WeakPolarHBondContact O-CG 3.32Å; S346-K350 PolarHBondContact O-N 2.89Å; S346-K350 WeakPolarHBondContact OG-CE 3.5Å; M347-K350 PolarHBondContact O-N 3.26Å; S348-K350 VanDerWaalsContact C-N 3.33Å; S348-K350 PolarHBondContact O-N 3.17Å; K350-E352 VanDerWaalsContact C-N 3.33Å; K350-E352 PolarHBondContact O-N 2.56Å; K350-S353 PolarHBondContact O-N 3.14Å; K350-I354 WeakPolarHBondContact O-CB 3.49Å; K350-I354 WeakPolarHBondContact O-CD1 3.47Å; K350-I354 WeakPolarHBondContact O-CG1 3.38Å; K350-I354 PolarHBondContact O-N 3.36Å
351A96.6Very high95.3Very high0 Ų060.4 Ų60.40%035%0.354CS..Hα-helixtrans-59.9-44.517900000111.5L339 M347 S348 I354 F355 L381 P384 V388L339-A351 HydrophobicContact CD1-CB 4.29Å; L339-A351 HydrophobicContact CD2-CB 3.99Å; M347-A351 WeakPolarHBondContact O-CB 3.34Å; M347-A351 PolarHBondContact O-N 2.8Å; S348-A351 PolarHBondContact O-N 2.88Å; A351-I354 PolarHBondContact O-N 3.36Å; A351-F355 WeakPolarHBondContact O-CB 3.34Å; A351-F355 PolarHBondContact O-N 3.19Å; A351-L381 HydrophobicContact CB-CD2 3.78Å; A351-P384 HydrophobicContact CB-CB 4.27Å; A351-V388 HydrophobicContact CB-CG1 4Å
352E95.6Very high95.2Very high90 Ų9055.7 Ų55.742%0.42136%0.361SS..Hα-helixtrans-64.2-43.8174.6-72.6-179.5-155.400112.7S348 K350 I354 F355 K356S348-E352 PolarHBondContact O-N 3.42Å; K350-E352 VanDerWaalsContact C-N 3.33Å; K350-E352 PolarHBondContact O-N 2.56Å; E352-I354 VanDerWaalsContact C-N 3.33Å; E352-I354 PolarHBondContact O-N 2.9Å; E352-F355 PolarHBondContact O-N 3.37Å; E352-K356 WeakPolarHBondContact O-CG 3.47Å; E352-K356 PolarHBondContact O-N 3.04Å
353S96.8Very high95.4Very high68 Ų6855.3 Ų55.348%0.47636%0.356SS..Hα-helixtrans-60.6-43.5177.3-1740000111.3A349 K350 K356 T357A349-S353 WeakPolarHBondContact O-CB 3.31Å; A349-S353 PolarHBondContact O-N 3.15Å; K350-S353 PolarHBondContact O-N 3.14Å; S353-K356 PolarHBondContact O-N 3.49Å; S353-T357 VanDerWaalsContact O-CB 3.29Å; S353-T357 WeakPolarHBondContact O-CB 3.41Å; S353-T357 PolarHBondContact O-N 2.96Å; S353-T357 PolarHBondContact O-OG1 2.92Å
354I97.6Very high95.5Very high14 Ų1456.4 Ų56.47%0.07237%0.365CS..Hα-helixtrans-64.7-43.9177.7-66.2164.5000110F332 A335 L339 K350 A351 E352 K356 T357 F358 L389F332-I354 HydrophobicContact CD2-CG2 3.91Å; F332-I354 HydrophobicContact CE2-CG2 3.81Å; A335-I354 HydrophobicContact CB-CD1 3.98Å; A335-I354 HydrophobicContact CB-CG1 3.94Å; A335-I354 WeakPolarHBondContact O-CD1 3.48Å; L339-I354 HydrophobicContact CB-CD1 3.92Å; L339-I354 HydrophobicContact CD2-CD1 4.28Å; K350-I354 WeakPolarHBondContact O-CB 3.49Å; K350-I354 WeakPolarHBondContact O-CD1 3.47Å; K350-I354 WeakPolarHBondContact O-CG1 3.38Å; K350-I354 PolarHBondContact O-N 3.36Å; A351-I354 PolarHBondContact O-N 3.36Å; E352-I354 VanDerWaalsContact C-N 3.33Å; E352-I354 PolarHBondContact O-N 2.9Å; I354-K356 PolarHBondContact O-N 3.12Å; I354-T357 PolarHBondContact O-N 3.41Å; I354-F358 HydrophobicContact CG2-CD2 3.95Å; I354-F358 WeakPolarHBondContact O-CD2 3.45Å; I354-F358 PolarHBondContact O-N 2.89Å; I354-L389 HydrophobicContact CB-CD1 3.97Å; I354-L389 HydrophobicContact CD1-CD1 3.96Å; I354-L389 HydrophobicContact CG2-CD1 3.45Å; I354-L389 VanDerWaalsContact CG2-CD1 3.45Å
355F96.8Very high95.6Very high47 Ų4758.2 Ų58.221%0.20636%0.356CS..Iπ-helixtrans-58.3-50.2176.2-179.8-97.1000111.8A351 E352 T357 F358 L359 A360 M374 V378 L381A351-F355 WeakPolarHBondContact O-CB 3.34Å; A351-F355 PolarHBondContact O-N 3.19Å; E352-F355 PolarHBondContact O-N 3.37Å; F355-T357 VanDerWaalsContact C-N 3.27Å; F355-T357 PolarHBondContact O-N 3.44Å; F355-F358 PolarHBondContact O-N 2.93Å; F355-L359 HydrophobicContact CD2-CB 3.62Å; F355-L359 HydrophobicContact CD2-CD1 4.03Å; F355-L359 HydrophobicContact CD2-CG 4.45Å; F355-L359 HydrophobicContact CE2-CB 3.87Å; F355-L359 HydrophobicContact CG-CB 4.35Å; F355-L359 CarbonylContact O-C 3.51Å; F355-L359 WeakPolarHBondContact O-CA 3.26Å; F355-L359 PolarHBondContact O-N 3.35Å; F355-A360 HydrophobicContact CD1-CB 4.26Å; F355-A360 HydrophobicContact CE1-CB 3.97Å; F355-A360 PolarHBondContact O-N 3.35Å; F355-M374 HydrophobicContact CE2-SD 4.3Å; F355-V378 HydrophobicContact CE2-CG2 3.94Å; F355-V378 HydrophobicContact CZ-CG2 4.22Å; F355-L381 HydrophobicContact CB-CD1 3.79Å; F355-L381 HydrophobicContact CD2-CD1 3.35Å; F355-L381 HydrophobicContact CE2-CD1 4.06Å; F355-L381 HydrophobicContact CG-CD1 3.63Å
356K96.8Very high95.6Very high130 Ų13059.9 Ų59.957%0.56534%0.344SS*.Iπ-helixtrans-62.8-32178.4-70.1175-175.1170.70113.1E352 S353 I354 A363E352-K356 WeakPolarHBondContact O-CG 3.47Å; E352-K356 PolarHBondContact O-N 3.04Å; S353-K356 PolarHBondContact O-N 3.49Å; I354-K356 PolarHBondContact O-N 3.12Å; K356-A363 WeakPolarHBondContact O-CB 3.4Å
357T97.8Very high95.7Very high40 Ų4058.6 Ų58.625%0.24534%0.335CS..Iπ-helixtrans-80.8-34.6-176.4-56.30000113.1S353 I354 F355 P364 R365S353-T357 VanDerWaalsContact O-CB 3.29Å; S353-T357 WeakPolarHBondContact O-CB 3.41Å; S353-T357 PolarHBondContact O-N 2.96Å; S353-T357 PolarHBondContact O-OG1 2.92Å; I354-T357 PolarHBondContact O-N 3.41Å; F355-T357 VanDerWaalsContact C-N 3.27Å; F355-T357 PolarHBondContact O-N 3.44Å; T357-P364 HydrophobicContact CG2-CG 4.44Å; T357-R365 HydrophobicContact CG2-CB 4.46Å; T357-R365 CarbonylContact O-C 3.56Å; T357-R365 PolarHBondContact O-N 3.35Å
358F97.8Very high95.5Very high12 Ų1263 Ų635%0.05336%0.359CS..Iπ-helixtrans-123.1-29.9-169-63.1-81.2000114.9A331 F332 A335 I354 F355 R365 W366 I367A331-F358 HydrophobicContact CB-CE1 3.94Å; A331-F358 HydrophobicContact CB-CZ 3.99Å; F332-F358 HydrophobicContact CB-CB 4.37Å; F332-F358 HydrophobicContact CB-CD1 3.75Å; F332-F358 HydrophobicContact CB-CD2 4.42Å; F332-F358 HydrophobicContact CB-CE1 4.07Å; F332-F358 HydrophobicContact CB-CG 3.95Å; F332-F358 HydrophobicContact CD2-CB 3.68Å; F332-F358 HydrophobicContact CD2-CD2 4.04Å; F332-F358 AromaticContact CD2-CG 3.85Å; F332-F358 HydrophobicContact CD2-CG 3.85Å; F332-F358 HydrophobicContact CE2-CB 4.46Å; F332-F358 HydrophobicContact CG-CB 4.38Å; F332-F358 HydrophobicContact CG-CG 4.37Å; A335-F358 HydrophobicContact CB-CE2 4.21Å; I354-F358 HydrophobicContact CG2-CD2 3.95Å; I354-F358 WeakPolarHBondContact O-CD2 3.45Å; I354-F358 PolarHBondContact O-N 2.89Å; F355-F358 PolarHBondContact O-N 2.93Å; F358-R365 HydrophobicContact CD1-CB 3.78Å; F358-R365 VanDerWaalsContact CD1-O 3.3Å; F358-R365 WeakPolarHBondContact CD1-O 3.32Å; F358-R365 HydrophobicContact CE1-CB 3.79Å; F358-W366 WeakPolarHBondContact O-CA 3.42Å; F358-I367 HydrophobicContact CB-CG1 4.23Å; F358-I367 HydrophobicContact CD1-CG2 4.37Å; F358-I367 WeakPolarHBondContact O-CG1 3.49Å; F358-I367 PolarHBondContact O-N 3.12Å
359L96.8Very high95.6Very high3 Ų360.9 Ų60.92%0.01634%0.343CS..Iπ-helixtrans-114.4-26.9-167.4-63.6179000114.3F332 F355 I367 I369 M374 T377 L389F332-L359 HydrophobicContact CE2-CD1 4.02Å; F332-L359 HydrophobicContact CE2-CD2 4.36Å; F332-L359 HydrophobicContact CE2-CG 4.15Å; F332-L359 HydrophobicContact CZ-CD1 4.36Å; F355-L359 HydrophobicContact CD2-CB 3.62Å; F355-L359 HydrophobicContact CD2-CD1 4.03Å; F355-L359 HydrophobicContact CD2-CG 4.45Å; F355-L359 HydrophobicContact CE2-CB 3.87Å; F355-L359 HydrophobicContact CG-CB 4.35Å; F355-L359 CarbonylContact O-C 3.51Å; F355-L359 WeakPolarHBondContact O-CA 3.26Å; F355-L359 PolarHBondContact O-N 3.35Å; L359-I367 HydrophobicContact CD2-CD1 3.66Å; L359-I367 HydrophobicContact CD2-CG1 3.61Å; L359-I369 HydrophobicContact CD2-CD1 3.69Å; L359-I369 HydrophobicContact CD2-CG1 4.19Å; L359-M374 HydrophobicContact CB-CE 4.15Å; L359-M374 HydrophobicContact CB-SD 4.49Å; L359-M374 HydrophobicContact CD2-CE 4.25Å; L359-M374 WeakPolarHBondContact O-CE 3.33Å; L359-T377 HydrophobicContact CD1-CG2 3.84Å; L359-L389 HydrophobicContact CD1-CD2 4.4Å
360A94.8Very high95.6Very high17 Ų1760.6 Ų60.614%0.1433%0.332CS..SBendtrans-62.2148-179.900000111.7F355 G362 A363F355-A360 HydrophobicContact CD1-CB 4.26Å; F355-A360 HydrophobicContact CE1-CB 3.97Å; F355-A360 PolarHBondContact O-N 3.35Å; A360-G362 PolarHBondContact O-N 3.48Å; A360-A363 HydrophobicContact CB-CB 4.38Å; A360-A363 WeakPolarHBondContact O-CB 3.46Å; A360-A363 PolarHBondContact O-N 3.38Å
361P93.8Very high95.5Very high127 Ų12760.8 Ų60.883%0.82535%0.351SS*.THydrogen-bonded Turntrans-55.8126.7171.4-24.234.2000111A363P361-A363 VanDerWaalsContact C-N 3.3Å; P361-A363 PolarHBondContact O-N 3.02Å
362G93.1Very high95.5Very high80 Ų8070.5 Ų70.583%0.82539%0.388SS*.THydrogen-bonded Turntrans74.116.2-176.300000114.8A360A360-G362 PolarHBondContact O-N 3.48Å
363A95.7Very high95.5Very high12 Ų1267 Ų6710%0.09937%0.373CS..  trans-56.8143.6178.100000112.5K356 A360 P361 R365 W366K356-A363 WeakPolarHBondContact O-CB 3.4Å; A360-A363 HydrophobicContact CB-CB 4.38Å; A360-A363 WeakPolarHBondContact O-CB 3.46Å; A360-A363 PolarHBondContact O-N 3.38Å; P361-A363 VanDerWaalsContact C-N 3.3Å; P361-A363 PolarHBondContact O-N 3.02Å; A363-R365 PolarHBondContact O-N 3.18Å; A363-W366 HydrophobicContact CB-CB 4.21Å; A363-W366 WeakPolarHBondContact O-CB 3.5Å; A363-W366 PolarHBondContact O-N 3.03Å
364P94.4Very high95.5Very high111 Ų11166 Ų6672%0.72136%0.361SS*.THydrogen-bonded Turntrans-64.7-24-175.326-35.7000113.7T357T357-P364 HydrophobicContact CG2-CG 4.44Å
365R95.4Very high95.4Very high107 Ų10767.3 Ų67.340%0.40438%0.378SS..THydrogen-bonded Turntrans-12849.3175.3-59.3-172.168.8-177.20.3110.2G327 E328 A331 T357 F358 A363 I367G327-R365 PolarHBondContact O-NH2 3.4Å; E328-R365 HydrophobicContact CB-CB 4.23Å; A331-R365 VanDerWaalsContact CB-NH1 3.25Å; T357-R365 HydrophobicContact CG2-CB 4.46Å; T357-R365 CarbonylContact O-C 3.56Å; T357-R365 PolarHBondContact O-N 3.35Å; F358-R365 HydrophobicContact CD1-CB 3.78Å; F358-R365 VanDerWaalsContact CD1-O 3.3Å; F358-R365 WeakPolarHBondContact CD1-O 3.32Å; F358-R365 HydrophobicContact CE1-CB 3.79Å; A363-R365 PolarHBondContact O-N 3.18Å; R365-I367 PolarHBondContact O-N 3.15Å
366W95.1Very high95.3Very high155 Ų15569.6 Ų69.659%0.58739%0.392SS*.  trans-56.1129.1-172.9-173.249.8000112.7F358 A363F358-W366 WeakPolarHBondContact O-CA 3.42Å; A363-W366 HydrophobicContact CB-CB 4.21Å; A363-W366 WeakPolarHBondContact O-CB 3.5Å; A363-W366 PolarHBondContact O-N 3.03Å
367I95.6Very high95.3Very high3 Ų363.4 Ų63.42%0.01537%0.365CS..  trans-111.6148.3174.360.8163.6000110.9E328 F332 F358 L359 R365 I369 V396E328-I367 HydrophobicContact CB-CG2 3.89Å; E328-I367 HydrophobicContact CG-CG2 3.62Å; F332-I367 HydrophobicContact CB-CD1 3.93Å; F332-I367 HydrophobicContact CB-CG2 4.43Å; F332-I367 HydrophobicContact CD1-CD1 3.42Å; F332-I367 VanDerWaalsContact CD1-CD1 3.42Å; F332-I367 HydrophobicContact CD2-CD1 3.78Å; F332-I367 HydrophobicContact CE1-CD1 3.79Å; F332-I367 HydrophobicContact CE2-CD1 4.13Å; F332-I367 HydrophobicContact CG-CD1 3.4Å; F332-I367 VanDerWaalsContact CG-CD1 3.4Å; F332-I367 HydrophobicContact CZ-CD1 4.14Å; F358-I367 HydrophobicContact CB-CG1 4.23Å; F358-I367 HydrophobicContact CD1-CG2 4.37Å; F358-I367 WeakPolarHBondContact O-CG1 3.49Å; F358-I367 PolarHBondContact O-N 3.12Å; L359-I367 HydrophobicContact CD2-CD1 3.66Å; L359-I367 HydrophobicContact CD2-CG1 3.61Å; R365-I367 PolarHBondContact O-N 3.15Å; I367-I369 HydrophobicContact CD1-CG2 4.12Å; I367-V396 HydrophobicContact CD1-CG2 3.69Å
368N90.4Very high95.2Very high121 Ų12164.8 Ų64.865%0.64737%0.373SS*.  trans-91.8120.4177.5-16912.1000110.8
369I94.9Very high95Very high13 Ų1371.1 Ų71.17%0.06740%0.401CS..  trans-130.4151.9172.660.5167.9000110L359 I367 T373 M374 A392 V396L359-I369 HydrophobicContact CD2-CD1 3.69Å; L359-I369 HydrophobicContact CD2-CG1 4.19Å; I367-I369 HydrophobicContact CD1-CG2 4.12Å; I369-T373 HydrophobicContact CD1-CG2 4.16Å; I369-M374 HydrophobicContact CD1-CB 4Å; I369-M374 HydrophobicContact CD1-CE 3.71Å; I369-M374 HydrophobicContact CD1-SD 4.04Å; I369-M374 HydrophobicContact CG1-CB 4.24Å; I369-M374 HydrophobicContact CG1-CE 3.72Å; I369-A392 HydrophobicContact CD1-CB 4.16Å; I369-V396 HydrophobicContact CG2-CG2 4.01Å
370D95Very high94.9Very high63 Ų6371.9 Ų71.934%0.33741%0.41SS..  trans-65.2152.2-18073.882.6000112.5R372 T373 M374 H395D370-R372 VanDerWaalsContact C-N 3.26Å; D370-R372 PolarHBondContact O-N 3.43Å; D370-R372 WeakPolarHBondContact OD1-CA 3.48Å; D370-R372 VanDerWaalsContact OD1-CB 3.31Å; D370-R372 WeakPolarHBondContact OD1-CB 3.11Å; D370-R372 PolarHBondContact OD1-N 3.01Å; D370-R372 VanDerWaalsContact OD1-N 3.08Å; D370-T373 VanDerWaalsContact CG-OG1 3.25Å; D370-T373 PolarHBondContact O-N 2.96Å; D370-T373 VanDerWaalsContact O-N 3.09Å; D370-T373 PolarHBondContact OD1-N 3.12Å; D370-T373 PolarHBondContact OD1-OG1 3.42Å; D370-T373 WeakPolarHBondContact OD2-CB 3.26Å; D370-T373 PolarHBondContact OD2-OG1 2.95Å; D370-M374 PolarHBondContact O-N 3.16Å; D370-H395 IonicContact OD2-CE1 3.06Å; D370-H395 PolarHBondContact OD2-CE1 2.88Å; D370-H395 IonicContact OD2-CG 3.89Å; D370-H395 IonicContact OD2-ND1 2.82Å; D370-H395 PolarHBondContact OD2-ND1 3.19Å
371G94.8Very high94.9Very high64 Ų6472.7 Ų72.766%0.6641%0.411SS*.Hα-helixtrans-60.4-31.2-174.300000114.3G375G371-G375 PolarHBondContact O-N 3.28Å
372R96.4Very high94.9Very high204 Ų20473 Ų7377%0.7740%0.401SS*.Hα-helixtrans-67.5-46.4175.8176.6-173.9178.9-174.71.3110.3D370 M374 G375 L376D370-R372 VanDerWaalsContact C-N 3.26Å; D370-R372 PolarHBondContact O-N 3.43Å; D370-R372 WeakPolarHBondContact OD1-CA 3.48Å; D370-R372 VanDerWaalsContact OD1-CB 3.31Å; D370-R372 WeakPolarHBondContact OD1-CB 3.11Å; D370-R372 PolarHBondContact OD1-N 3.01Å; D370-R372 VanDerWaalsContact OD1-N 3.08Å; R372-M374 VanDerWaalsContact C-N 3.35Å; R372-G375 PolarHBondContact O-N 3.49Å; R372-L376 WeakPolarHBondContact O-CG 3.36Å; R372-L376 PolarHBondContact O-N 2.91Å
373T96.7Very high94.9Very high16 Ų1676.5 Ų76.510%0.09840%0.396CS..Hα-helixtrans-63.2-40.9177.4-60.30000111.6I369 D370 L376 T377 A391 A392 H395I369-T373 HydrophobicContact CD1-CG2 4.16Å; D370-T373 VanDerWaalsContact CG-OG1 3.25Å; D370-T373 PolarHBondContact O-N 2.96Å; D370-T373 VanDerWaalsContact O-N 3.09Å; D370-T373 PolarHBondContact OD1-N 3.12Å; D370-T373 PolarHBondContact OD1-OG1 3.42Å; D370-T373 WeakPolarHBondContact OD2-CB 3.26Å; D370-T373 PolarHBondContact OD2-OG1 2.95Å; T373-L376 PolarHBondContact O-N 2.89Å; T373-T377 WeakPolarHBondContact O-CB 3.48Å; T373-T377 PolarHBondContact O-N 2.64Å; T373-T377 PolarHBondContact O-OG1 2.9Å; T373-A391 HydrophobicContact CG2-CB 4.14Å; T373-A392 VanDerWaalsContact CG2-CA 3.44Å; T373-A392 HydrophobicContact CG2-CB 4.01Å; T373-H395 HydrophobicContact CG2-CB 4.16Å
374M96.3Very high94.8Very high46 Ų4677.8 Ų77.823%0.22740%0.404CS..Hα-helixtrans-60.7-48.7173.6-175.960.980.200111.6F355 L359 I369 D370 R372 L376 T377 V378F355-M374 HydrophobicContact CE2-SD 4.3Å; L359-M374 HydrophobicContact CB-CE 4.15Å; L359-M374 HydrophobicContact CB-SD 4.49Å; L359-M374 HydrophobicContact CD2-CE 4.25Å; L359-M374 WeakPolarHBondContact O-CE 3.33Å; I369-M374 HydrophobicContact CD1-CB 4Å; I369-M374 HydrophobicContact CD1-CE 3.71Å; I369-M374 HydrophobicContact CD1-SD 4.04Å; I369-M374 HydrophobicContact CG1-CB 4.24Å; I369-M374 HydrophobicContact CG1-CE 3.72Å; D370-M374 PolarHBondContact O-N 3.16Å; R372-M374 VanDerWaalsContact C-N 3.35Å; M374-L376 VanDerWaalsContact C-N 3.33Å; M374-L376 PolarHBondContact O-N 3.1Å; M374-T377 PolarHBondContact O-N 3.34Å; M374-T377 VanDerWaalsContact O-N 3.08Å; M374-V378 HydrophobicContact CG-CG2 4.35Å; M374-V378 WeakPolarHBondContact O-CG2 3.49Å; M374-V378 PolarHBondContact O-N 3.05Å; M374-V378 HydrophobicContact SD-CG2 4.11Å
375G95.1Very high94.8Very high42 Ų4276.7 Ų76.743%0.43339%0.389SS..Hα-helixtrans-59.7-41179.200000113.2G371 R372 T377 K379G371-G375 PolarHBondContact O-N 3.28Å; R372-G375 PolarHBondContact O-N 3.49Å; G375-T377 VanDerWaalsContact C-N 3.35Å; G375-K379 WeakPolarHBondContact O-CB 3.43Å; G375-K379 PolarHBondContact O-N 3.27Å; G375-K379 VanDerWaalsContact O-N 3.07Å
376L95.3Very high94.8Very high95 Ų9575 Ų7550%0.49738%0.382SS..Hα-helixtrans-62.9-41.5173.6-71.6173.5000112.1R372 T373 M374 G380R372-L376 WeakPolarHBondContact O-CG 3.36Å; R372-L376 PolarHBondContact O-N 2.91Å; T373-L376 PolarHBondContact O-N 2.89Å; M374-L376 VanDerWaalsContact C-N 3.33Å; M374-L376 PolarHBondContact O-N 3.1Å; L376-G380 PolarHBondContact O-N 3.45Å
377T95.4Very high94.9Very high0 Ų073.3 Ų73.30%038%0.377CS..Hα-helixtrans-67.2-47-178.8-53.70000111.2L359 T373 M374 G375 G380 L381 L389L359-T377 HydrophobicContact CD1-CG2 3.84Å; T373-T377 WeakPolarHBondContact O-CB 3.48Å; T373-T377 PolarHBondContact O-N 2.64Å; T373-T377 PolarHBondContact O-OG1 2.9Å; M374-T377 PolarHBondContact O-N 3.34Å; M374-T377 VanDerWaalsContact O-N 3.08Å; G375-T377 VanDerWaalsContact C-N 3.35Å; T377-G380 PolarHBondContact O-N 3.4Å; T377-L381 HydrophobicContact CG2-CD1 4.16Å; T377-L381 VanDerWaalsContact O-CG 3.29Å; T377-L381 WeakPolarHBondContact O-CG 3.35Å; T377-L381 PolarHBondContact O-N 2.96Å; T377-L389 HydrophobicContact CG2-CD2 3.61Å
378V95.6Very high95Very high69 Ų6973.6 Ų73.642%0.41838%0.378SS..Hα-helixtrans-61-47.3177.8172.20000110.9F355 M374 G380 L381F355-V378 HydrophobicContact CE2-CG2 3.94Å; F355-V378 HydrophobicContact CZ-CG2 4.22Å; M374-V378 HydrophobicContact CG-CG2 4.35Å; M374-V378 WeakPolarHBondContact O-CG2 3.49Å; M374-V378 PolarHBondContact O-N 3.05Å; M374-V378 HydrophobicContact SD-CG2 4.11Å; V378-G380 VanDerWaalsContact C-N 3.31Å; V378-G380 PolarHBondContact O-N 3.05Å; V378-L381 PolarHBondContact O-N 3.38Å; V378-L381 VanDerWaalsContact O-N 3.14Å
379K95.3Very high95.3Very high146 Ų14668 Ų6864%0.63535%0.349SS*.Hα-helixtrans-61.1-40.6176.8-174.9177.1-178.8176.20112.1G375 L381 E382G375-K379 WeakPolarHBondContact O-CB 3.43Å; G375-K379 PolarHBondContact O-N 3.27Å; G375-K379 VanDerWaalsContact O-N 3.07Å; K379-L381 VanDerWaalsContact C-N 3.28Å; K379-L381 PolarHBondContact O-N 3.37Å; K379-E382 WeakPolarHBondContact O-CB 3.47Å; K379-E382 WeakPolarHBondContact O-CG 3.35Å; K379-E382 PolarHBondContact O-N 2.94Å
380G93.8Very high95.4Very high19 Ų1971.8 Ų71.820%0.19637%0.366CS..Hα-helixtrans-64.8-32.7176.700000113L376 T377 V378 E382 H383 V388L376-G380 PolarHBondContact O-N 3.45Å; T377-G380 PolarHBondContact O-N 3.4Å; V378-G380 VanDerWaalsContact C-N 3.31Å; V378-G380 PolarHBondContact O-N 3.05Å; G380-E382 PolarHBondContact O-N 3.12Å; G380-H383 CarbonylContact O-C 3.55Å; G380-H383 PolarHBondContact O-N 3.34Å; G380-H383 VanDerWaalsContact O-N 3.14Å; G380-H383 VanDerWaalsContact O-O 3.11Å; G380-V388 VanDerWaalsContact O-CG2 3.31Å; G380-V388 WeakPolarHBondContact O-CG2 3.37Å
381L94.4Very high95.5Very high33 Ų3370.8 Ų70.817%0.17337%0.366CS..Hα-helixtrans-71.5-11.5178.6-72.4167.7000113.6A351 F355 T377 V378 K379 H383 P384 V388A351-L381 HydrophobicContact CB-CD2 3.78Å; F355-L381 HydrophobicContact CB-CD1 3.79Å; F355-L381 HydrophobicContact CD2-CD1 3.35Å; F355-L381 HydrophobicContact CE2-CD1 4.06Å; F355-L381 HydrophobicContact CG-CD1 3.63Å; T377-L381 HydrophobicContact CG2-CD1 4.16Å; T377-L381 VanDerWaalsContact O-CG 3.29Å; T377-L381 WeakPolarHBondContact O-CG 3.35Å; T377-L381 PolarHBondContact O-N 2.96Å; V378-L381 PolarHBondContact O-N 3.38Å; V378-L381 VanDerWaalsContact O-N 3.14Å; K379-L381 VanDerWaalsContact C-N 3.28Å; K379-L381 PolarHBondContact O-N 3.37Å; L381-H383 PolarHBondContact O-N 2.96Å; L381-P384 VanDerWaalsContact O-CD 3.31Å; L381-P384 WeakPolarHBondContact O-CD 3.08Å; L381-P384 WeakPolarHBondContact O-CG 3.43Å; L381-V388 HydrophobicContact CD2-CG1 4.09Å; L381-V388 HydrophobicContact CD2-CG2 3.92Å; L381-V388 HydrophobicContact CG-CG2 3.97Å
382E94.2Very high95.6Very high133 Ų13367.7 Ų67.762%0.62134%0.335SS*.THydrogen-bonded Turntrans-60.9-33167.2-64174.6-178.900111.2K379 G380K379-E382 WeakPolarHBondContact O-CB 3.47Å; K379-E382 WeakPolarHBondContact O-CG 3.35Å; K379-E382 PolarHBondContact O-N 2.94Å; G380-E382 PolarHBondContact O-N 3.12Å
383H93.6Very high95.6Very high155 Ų15558.3 Ų58.372%0.71830%0.3SS*.SBendtrans-133.877.3175.9-63.2-42.4000110.3G380 L381 H385G380-H383 CarbonylContact O-C 3.55Å; G380-H383 PolarHBondContact O-N 3.34Å; G380-H383 VanDerWaalsContact O-N 3.14Å; G380-H383 VanDerWaalsContact O-O 3.11Å; L381-H383 PolarHBondContact O-N 2.96Å; H383-H385 PolarHBondContact O-CD2 3.39Å; H383-H385 PolarHBondContact O-N 2.98Å
384P93.6Very high95.6Very high39 Ų3961.1 Ų61.125%0.25332%0.317SS..  trans-56.3128.7-172.8-25.634.7000112.8A351 L381A351-P384 HydrophobicContact CB-CB 4.27Å; L381-P384 VanDerWaalsContact O-CD 3.31Å; L381-P384 WeakPolarHBondContact O-CD 3.08Å; L381-P384 WeakPolarHBondContact O-CG 3.43Å
385H94.7Very high95.6Very high88 Ų8861.6 Ų61.641%0.40732%0.318SS..  trans-137.8171173.865.191.3000110.4M347 H383 Y387 V388M347-H385 WeakPolarHBondContact SD-CA 3.26Å; H383-H385 PolarHBondContact O-CD2 3.39Å; H383-H385 PolarHBondContact O-N 2.98Å; H385-Y387 VanDerWaalsContact CE1-C 3.4Å; H385-Y387 PolarHBondContact ND1-N 2.71Å; H385-Y387 PolarHBondContact O-N 2.99Å; H385-V388 PolarHBondContact CE1-N 3.36Å; H385-V388 VanDerWaalsContact O-CB 3.25Å; H385-V388 WeakPolarHBondContact O-CB 3.31Å; H385-V388 WeakPolarHBondContact O-CG1 3.39Å; H385-V388 PolarHBondContact O-N 2.75Å
386R95.4Very high95.7Very high70 Ų7059.6 Ų59.626%0.26430%0.298SS..THydrogen-bonded Turntrans-58.4-23-171.8-175.2177.2-77.4-104.8-3.9114.4K340 G342 M347K340-R386 HydrophobicContact CG-CG 4.21Å; K340-R386 WeakPolarHBondContact O-CD 3.47Å; K340-R386 WeakPolarHBondContact O-CG 3.31Å; K340-R386 PolarHBondContact O-NE 3.43Å; K340-R386 PolarHBondContact O-NH1 3.12Å; G342-R386 PolarHBondContact O-NH1 3.27Å; G342-R386 PolarHBondContact O-NH2 3.4Å; M347-R386 HydrophobicContact CE-CB 4.08Å; M347-R386 HydrophobicContact SD-CB 4.1Å; M347-R386 PolarHBondContact SD-N 2.9Å
387Y96.8Very high95.8Very high120 Ų12056.7 Ų56.747%0.47128%0.281SS..THydrogen-bonded Turntrans-109.210.5-176.8-52.7-76.8000112.7K340 H385 L389 E390K340-Y387 HydrophobicContact CD-CD1 4.49Å; K340-Y387 HydrophobicContact CD-CE1 4.33Å; K340-Y387 HydrophobicContact CG-CD1 4.32Å; K340-Y387 HydrophobicContact CG-CE1 4.13Å; H385-Y387 VanDerWaalsContact CE1-C 3.4Å; H385-Y387 PolarHBondContact ND1-N 2.71Å; H385-Y387 PolarHBondContact O-N 2.99Å; Y387-L389 PolarHBondContact O-N 2.95Å; Y387-L389 VanDerWaalsContact O-N 3.16Å; Y387-E390 WeakPolarHBondContact O-CB 3.36Å; Y387-E390 PolarHBondContact O-N 2.95Å
388V96.4Very high95.8Very high9 Ų960.1 Ų60.16%0.05530%0.298CS..THydrogen-bonded Turntrans-60.4-29.2-17470.20000113.3L339 A351 G380 L381 H385L339-V388 HydrophobicContact CD2-CG1 4.05Å; A351-V388 HydrophobicContact CB-CG1 4Å; G380-V388 VanDerWaalsContact O-CG2 3.31Å; G380-V388 WeakPolarHBondContact O-CG2 3.37Å; L381-V388 HydrophobicContact CD2-CG1 4.09Å; L381-V388 HydrophobicContact CD2-CG2 3.92Å; L381-V388 HydrophobicContact CG-CG2 3.97Å; H385-V388 PolarHBondContact CE1-N 3.36Å; H385-V388 VanDerWaalsContact O-CB 3.25Å; H385-V388 WeakPolarHBondContact O-CB 3.31Å; H385-V388 WeakPolarHBondContact O-CG1 3.39Å; H385-V388 PolarHBondContact O-N 2.75Å
389L97.1Very high95.8Very high4 Ų460.4 Ų60.42%0.02130%0.297CS..THydrogen-bonded Turntrans-96.55178-56.6-176.4000113.7F332 A336 L339 I354 L359 T377 Y387 A391 A392 Q393F332-L389 HydrophobicContact CE2-CD1 4.41Å; A336-L389 HydrophobicContact CB-CB 4.35Å; A336-L389 HydrophobicContact CB-CD1 4.36Å; L339-L389 HydrophobicContact CD2-CD1 3.64Å; L339-L389 HydrophobicContact CD2-CG 3.85Å; I354-L389 HydrophobicContact CB-CD1 3.97Å; I354-L389 HydrophobicContact CD1-CD1 3.96Å; I354-L389 HydrophobicContact CG2-CD1 3.45Å; I354-L389 VanDerWaalsContact CG2-CD1 3.45Å; L359-L389 HydrophobicContact CD1-CD2 4.4Å; T377-L389 HydrophobicContact CG2-CD2 3.61Å; Y387-L389 PolarHBondContact O-N 2.95Å; Y387-L389 VanDerWaalsContact O-N 3.16Å; L389-A391 VanDerWaalsContact C-N 3.35Å; L389-A391 PolarHBondContact O-N 3.01Å; L389-A392 PolarHBondContact O-N 3.04Å; L389-Q393 VanDerWaalsContact O-CB 3.25Å; L389-Q393 WeakPolarHBondContact O-CB 3.44Å; L389-Q393 PolarHBondContact O-N 3.28Å
390E96.8Very high95.8Very high93 Ų9353.5 Ų53.544%0.43527%0.267SS..Hα-helixtrans-61.1-39.9-170.8-178.5172.1-143.800113.1Y387 T394Y387-E390 WeakPolarHBondContact O-CB 3.36Å; Y387-E390 PolarHBondContact O-N 2.95Å; E390-T394 VanDerWaalsContact O-CB 3.29Å; E390-T394 WeakPolarHBondContact O-CB 3.39Å; E390-T394 PolarHBondContact O-N 3.26Å; E390-T394 PolarHBondContact O-OG1 3.45Å
391A96.7Very high95.9Very high41 Ų4156.9 Ų56.934%0.33928%0.276SS..Hα-helixtrans-63.2-49.9177.100000111.4T373 L389 T394 H395T373-A391 HydrophobicContact CG2-CB 4.14Å; L389-A391 VanDerWaalsContact C-N 3.35Å; L389-A391 PolarHBondContact O-N 3.01Å; A391-T394 PolarHBondContact O-N 3.08Å; A391-H395 WeakPolarHBondContact O-CB 3.32Å; A391-H395 PolarHBondContact O-N 3.06Å
392A97.4Very high95.9Very high0 Ų062.7 Ų62.70%030%0.3CS..Hα-helixtrans-63.5-43.4177.600000112F332 I369 T373 L389 T394 H395 V396F332-A392 HydrophobicContact CE1-CB 4.06Å; F332-A392 HydrophobicContact CZ-CB 3.66Å; I369-A392 HydrophobicContact CD1-CB 4.16Å; T373-A392 VanDerWaalsContact CG2-CA 3.44Å; T373-A392 HydrophobicContact CG2-CB 4.01Å; L389-A392 PolarHBondContact O-N 3.04Å; A392-T394 PolarHBondContact O-N 3.18Å; A392-H395 WeakPolarHBondContact O-CB 3.34Å; A392-H395 PolarHBondContact O-N 3.36Å; A392-V396 WeakPolarHBondContact O-CG2 3.19Å; A392-V396 PolarHBondContact O-N 2.97Å
393Q97.4Very high95.8Very high7 Ų760 Ų603%0.03329%0.29CS..Hα-helixtrans-61.3-43.8177.1-171.6-172.531.700111.9F332 W333 A336 E337 L389 V396 F397F332-Q393 HydrophobicContact CE1-CB 4.5Å; W333-Q393 HydrophobicContact CG-CG 4.35Å; W333-Q393 PolarHBondContact O-NE2 2.93Å; A336-Q393 HydrophobicContact CB-CB 3.97Å; A336-Q393 HydrophobicContact CB-CG 3.76Å; E337-Q393 VanDerWaalsContact CG-NE2 3.3Å; E337-Q393 PolarHBondContact OE1-NE2 3.28Å; E337-Q393 PolarHBondContact OE1-OE1 3.08Å; L389-Q393 VanDerWaalsContact O-CB 3.25Å; L389-Q393 WeakPolarHBondContact O-CB 3.44Å; L389-Q393 PolarHBondContact O-N 3.28Å; Q393-V396 PolarHBondContact O-N 3.12Å; Q393-F397 WeakPolarHBondContact O-CB 3.48Å; Q393-F397 PolarHBondContact O-N 2.86Å
394T96.9Very high95.9Very high75 Ų7553 Ų5346%0.4626%0.258SS..Hα-helixtrans-65-41.1177.1-59.60000111.1E390 A391 A392 F397 M398E390-T394 VanDerWaalsContact O-CB 3.29Å; E390-T394 WeakPolarHBondContact O-CB 3.39Å; E390-T394 PolarHBondContact O-N 3.26Å; E390-T394 PolarHBondContact O-OG1 3.45Å; A391-T394 PolarHBondContact O-N 3.08Å; A392-T394 PolarHBondContact O-N 3.18Å; T394-F397 PolarHBondContact O-N 3.39Å; T394-M398 HydrophobicContact CG2-CG 4.44Å; T394-M398 WeakPolarHBondContact O-CB 3.49Å; T394-M398 VanDerWaalsContact O-CG 3.31Å; T394-M398 WeakPolarHBondContact O-CG 3.29Å; T394-M398 PolarHBondContact O-N 3.07Å
395H96.5Very high96.1Very high55 Ų5551.4 Ų51.426%0.25525%0.247SC..Hα-helixtrans-58.1-52.7175.3-176.999000111.1D370 T373 A391 A392 F397 M398 L399D370-H395 IonicContact OD2-CE1 3.06Å; D370-H395 PolarHBondContact OD2-CE1 2.88Å; D370-H395 IonicContact OD2-CG 3.89Å; D370-H395 IonicContact OD2-ND1 2.82Å; D370-H395 PolarHBondContact OD2-ND1 3.19Å; T373-H395 HydrophobicContact CG2-CB 4.16Å; A391-H395 WeakPolarHBondContact O-CB 3.32Å; A391-H395 PolarHBondContact O-N 3.06Å; A392-H395 WeakPolarHBondContact O-CB 3.34Å; A392-H395 PolarHBondContact O-N 3.36Å; H395-F397 PolarHBondContact O-N 2.92Å; H395-M398 PolarHBondContact O-N 2.95Å; H395-L399 WeakPolarHBondContact O-CB 3.38Å; H395-L399 PolarHBondContact O-N 3.41Å
396V96.2Very high96.2Very high0 Ų052.6 Ų52.60%025%0.251CS..Hα-helixtrans-63.8-40.4179.9174.30000111.8N329 F332 I367 I369 A392 Q393 M398 L399 M400N329-V396 HydrophobicContact CB-CG1 3.82Å; N329-V396 WeakPolarHBondContact O-CG1 3.5Å; F332-V396 HydrophobicContact CD1-CB 4.11Å; F332-V396 HydrophobicContact CD1-CG1 4.23Å; F332-V396 HydrophobicContact CD1-CG2 3.76Å; F332-V396 HydrophobicContact CE1-CB 4.34Å; F332-V396 HydrophobicContact CE1-CG2 3.87Å; I367-V396 HydrophobicContact CD1-CG2 3.69Å; I369-V396 HydrophobicContact CG2-CG2 4.01Å; A392-V396 WeakPolarHBondContact O-CG2 3.19Å; A392-V396 PolarHBondContact O-N 2.97Å; Q393-V396 PolarHBondContact O-N 3.12Å; V396-M398 PolarHBondContact O-N 3.49Å; V396-L399 WeakPolarHBondContact O-CB 3.31Å; V396-L399 PolarHBondContact O-N 3.48Å; V396-M400 HydrophobicContact CG1-CE 4.17Å; V396-M400 WeakPolarHBondContact O-CG 3.49Å; V396-M400 PolarHBondContact O-N 2.87Å
397F96.8Very high96.3Very high34 Ų3453.8 Ų53.815%0.14926%0.256CS..Hα-helixtrans-60.1-45.5174179.2-92000111.8L304 F305 L308 W333 Q393 T394 H395 L399 M400 K401L304-F397 HydrophobicContact CB-CZ 4.42Å; L304-F397 HydrophobicContact CD2-CD2 4.04Å; L304-F397 HydrophobicContact CD2-CE2 3.86Å; L304-F397 HydrophobicContact CD2-CZ 4.22Å; L304-F397 HydrophobicContact CG-CE2 4.01Å; L304-F397 HydrophobicContact CG-CZ 4.37Å; F305-F397 HydrophobicContact CB-CZ 4.44Å; L308-F397 HydrophobicContact CD1-CD2 4.04Å; L308-F397 HydrophobicContact CD1-CE2 3.98Å; W333-F397 AromaticContact NE1-CD2 3.65Å; Q393-F397 WeakPolarHBondContact O-CB 3.48Å; Q393-F397 PolarHBondContact O-N 2.86Å; T394-F397 PolarHBondContact O-N 3.39Å; H395-F397 PolarHBondContact O-N 2.92Å; F397-L399 VanDerWaalsContact C-N 3.34Å; F397-M400 PolarHBondContact O-N 3.26Å; F397-K401 HydrophobicContact CE1-CD 3.9Å; F397-K401 VanDerWaalsContact O-CB 3.23Å; F397-K401 WeakPolarHBondContact O-CB 3.43Å; F397-K401 PolarHBondContact O-N 3.03Å
398M96.6Very high96.4Very high73 Ų7348.1 Ų48.136%0.3623%0.233SC..Hα-helixtrans-69-32.7179.4-72.4-60.5-70.700112.6T394 H395 V396 K401 K402T394-M398 HydrophobicContact CG2-CG 4.44Å; T394-M398 WeakPolarHBondContact O-CB 3.49Å; T394-M398 VanDerWaalsContact O-CG 3.31Å; T394-M398 WeakPolarHBondContact O-CG 3.29Å; T394-M398 PolarHBondContact O-N 3.07Å; H395-M398 PolarHBondContact O-N 2.95Å; V396-M398 PolarHBondContact O-N 3.49Å; M398-K401 PolarHBondContact O-N 2.58Å; M398-K401 HydrophobicContact SD-CD 4.04Å; M398-K402 WeakPolarHBondContact O-CB 3.27Å; M398-K402 VanDerWaalsContact O-CG 3.28Å; M398-K402 WeakPolarHBondContact O-CG 3.23Å; M398-K402 PolarHBondContact O-N 3.4Å
399L94.3Very high96.5Very high75 Ų7549.3 Ų49.339%0.39324%0.239SC..Hα-helixtrans-61-54.7171.8-179.367.2000110.6H395 V396 F397 K401 K402 D403H395-L399 WeakPolarHBondContact O-CB 3.38Å; H395-L399 PolarHBondContact O-N 3.41Å; V396-L399 WeakPolarHBondContact O-CB 3.31Å; V396-L399 PolarHBondContact O-N 3.48Å; F397-L399 VanDerWaalsContact C-N 3.34Å; L399-K401 VanDerWaalsContact C-N 3.29Å; L399-K401 PolarHBondContact O-N 3.02Å; L399-K402 PolarHBondContact O-N 3.05Å; L399-D403 PolarHBondContact O-N 3.48Å
400M95.8Very high96.5Very high0 Ų056.7 Ų56.70%027%0.271CS..Hα-helixtrans-59.9-39.8177-68.9-170.8-64.500111.9L304 L308 F317 N329 L330 W333 V396 F397 K402 T404 F405L304-M400 HydrophobicContact CD2-CB 3.81Å; L308-M400 HydrophobicContact CD1-CE 4.37Å; F317-M400 HydrophobicContact CE1-SD 4.28Å; N329-M400 HydrophobicContact CB-CG 4.16Å; N329-M400 HydrophobicContact CB-SD 3.94Å; L330-M400 HydrophobicContact CB-SD 4.25Å; W333-M400 HydrophobicContact CB-CE 4.12Å; W333-M400 HydrophobicContact CG-CE 4.29Å; V396-M400 HydrophobicContact CG1-CE 4.17Å; V396-M400 WeakPolarHBondContact O-CG 3.49Å; V396-M400 PolarHBondContact O-N 2.87Å; F397-M400 PolarHBondContact O-N 3.26Å; M400-K402 PolarHBondContact O-N 2.96Å; M400-T404 PolarHBondContact O-N 3.27Å; M400-F405 WeakPolarHBondContact O-CB 3.05Å; M400-F405 PolarHBondContact O-N 2.84Å
401K96.6Very high96.5Very high90 Ų9052.7 Ų52.739%0.39125%0.254SS..Hα-helixtrans-65.1-38.4-178.9-176.4175.9176.1178.90112.8L304 F397 M398 L399 F406L304-K401 HydrophobicContact CB-CB 4.43Å; L304-K401 HydrophobicContact CB-CG 4.38Å; L304-K401 HydrophobicContact CD2-CB 3.77Å; F397-K401 HydrophobicContact CE1-CD 3.9Å; F397-K401 VanDerWaalsContact O-CB 3.23Å; F397-K401 WeakPolarHBondContact O-CB 3.43Å; F397-K401 PolarHBondContact O-N 3.03Å; M398-K401 PolarHBondContact O-N 2.58Å; M398-K401 HydrophobicContact SD-CD 4.04Å; L399-K401 VanDerWaalsContact C-N 3.29Å; L399-K401 PolarHBondContact O-N 3.02Å; K401-F406 VanDerWaalsContact O-CE2 3.27Å; K401-F406 WeakPolarHBondContact O-CE2 3.48Å
402K94.3Very high96.5Very high156 Ų15655 Ų5568%0.67827%0.265SS*.Hα-helixtrans-78.7-29.3-174.9-77.2179178.8-178.30113.4M398 L399 M400M398-K402 WeakPolarHBondContact O-CB 3.27Å; M398-K402 VanDerWaalsContact O-CG 3.28Å; M398-K402 WeakPolarHBondContact O-CG 3.23Å; M398-K402 PolarHBondContact O-N 3.4Å; L399-K402 PolarHBondContact O-N 3.05Å; M400-K402 PolarHBondContact O-N 2.96Å
403D92.4Very high96.5Very high77 Ų7755.3 Ų55.341%0.41227%0.267SS..THydrogen-bonded Turntrans-127.1-69.5-174.1176.146.1000112.5L399 F405 F406 R407L399-D403 PolarHBondContact O-N 3.48Å; D403-F405 VanDerWaalsContact C-N 3.29Å; D403-F405 PolarHBondContact O-N 2.88Å; D403-F405 VanDerWaalsContact O-N 3.15Å; D403-F406 PolarHBondContact O-N 3.44Å; D403-R407 PolarHBondContact O-N 3.38Å; D403-R407 VanDerWaalsContact O-N 3.15Å; D403-R407 IonicContact OD1-NE 2.78Å; D403-R407 PolarHBondContact OD1-NE 3.12Å; D403-R407 IonicContact OD2-CZ 2.78Å; D403-R407 VanDerWaalsContact OD2-CZ 3.3Å; D403-R407 IonicContact OD2-NE 2.89Å; D403-R407 PolarHBondContact OD2-NE 3.37Å; D403-R407 VanDerWaalsContact OD2-NE 3.09Å; D403-R407 IonicContact OD2-NH2 3.18Å; D403-R407 PolarHBondContact OD2-NH2 3.42Å
404T95.9Very high96.5Very high6 Ų655.6 Ų55.64%0.03727%0.268CS..Hα-helixtrans-55.5-39.4-170.8-430000113.7F317 F320 L321 M400 R407 Y408F317-T404 HydrophobicContact CE2-CG2 4.15Å; F317-T404 HydrophobicContact CZ-CG2 3.91Å; F320-T404 HydrophobicContact CE1-CG2 3.89Å; L321-T404 HydrophobicContact CD2-CG2 3.33Å; M400-T404 PolarHBondContact O-N 3.27Å; T404-R407 PolarHBondContact O-N 2.98Å; T404-Y408 WeakPolarHBondContact O-CB 3.01Å; T404-Y408 PolarHBondContact O-N 2.77Å
405F97.7Very high96.5Very high7 Ų758 Ų583%0.03127%0.272CS..Hα-helixtrans-62.1-44.9177.7177.8-116.5000112.6W300 L304 L307 M400 D403 R407 Y408 L409W300-F405 WeakPolarHBondContact O-CE2 3.5Å; W300-F405 WeakPolarHBondContact O-CZ 3.41Å; L304-F405 HydrophobicContact CB-CB 4.34Å; L304-F405 HydrophobicContact CB-CD1 4.3Å; L304-F405 HydrophobicContact CB-CD2 4.01Å; L304-F405 HydrophobicContact CB-CE2 4.4Å; L304-F405 HydrophobicContact CB-CG 3.95Å; L304-F405 HydrophobicContact CD1-CB 4.16Å; L304-F405 HydrophobicContact CD1-CD2 3.78Å; L304-F405 HydrophobicContact CD1-CG 4.18Å; L307-F405 HydrophobicContact CB-CE2 4.15Å; L307-F405 HydrophobicContact CD2-CD2 3.81Å; L307-F405 HydrophobicContact CD2-CE2 3.86Å; M400-F405 WeakPolarHBondContact O-CB 3.05Å; M400-F405 PolarHBondContact O-N 2.84Å; D403-F405 VanDerWaalsContact C-N 3.29Å; D403-F405 PolarHBondContact O-N 2.88Å; D403-F405 VanDerWaalsContact O-N 3.15Å; F405-R407 VanDerWaalsContact C-N 3.34Å; F405-Y408 WeakPolarHBondContact O-CB 3.27Å; F405-Y408 PolarHBondContact O-N 3.27Å; F405-L409 HydrophobicContact CD1-CD1 4.36Å; F405-L409 HydrophobicContact CE1-CD1 3.74Å; F405-L409 HydrophobicContact CE1-CG 4.48Å; F405-L409 HydrophobicContact CE2-CD1 4.24Å; F405-L409 HydrophobicContact CE2-CD2 4.2Å; F405-L409 HydrophobicContact CE2-CG 4.2Å; F405-L409 HydrophobicContact CZ-CD1 3.68Å; F405-L409 HydrophobicContact CZ-CD2 4.3Å; F405-L409 HydrophobicContact CZ-CG 4.15Å; F405-L409 WeakPolarHBondContact O-CG 3.28Å; F405-L409 PolarHBondContact O-N 3.2Å
406F96.8Very high96.6Very high113 Ų11360.2 Ų60.250%0.49628%0.283SS..Hα-helixtrans-71.7-31.3-180-69.1-71.4000112.3K401 D403 K410K401-F406 VanDerWaalsContact O-CE2 3.27Å; K401-F406 WeakPolarHBondContact O-CE2 3.48Å; D403-F406 PolarHBondContact O-N 3.44Å; F406-K410 WeakPolarHBondContact O-CG 3.35Å; F406-K410 PolarHBondContact O-N 3.06Å
407R97.5Very high96.6Very high95 Ų9560.8 Ų60.836%0.35829%0.285SS..Hα-helixtrans-67-42.2170.7-70.1-168.5-74.51220.3111.4F320 E324 D403 T404 F405 L409 K410 S411F320-R407 HydrophobicContact CZ-CB 3.92Å; E324-R407 IonicContact OE1-CZ 3.9Å; E324-R407 IonicContact OE1-NH1 3.85Å; E324-R407 PolarHBondContact OE1-NH1 2.81Å; E324-R407 IonicContact OE2-CZ 3.18Å; E324-R407 IonicContact OE2-NH1 2.88Å; E324-R407 PolarHBondContact OE2-NH1 3.44Å; E324-R407 IonicContact OE2-NH2 3.51Å; D403-R407 PolarHBondContact O-N 3.38Å; D403-R407 VanDerWaalsContact O-N 3.15Å; D403-R407 IonicContact OD1-NE 2.78Å; D403-R407 PolarHBondContact OD1-NE 3.12Å; D403-R407 IonicContact OD2-CZ 2.78Å; D403-R407 VanDerWaalsContact OD2-CZ 3.3Å; D403-R407 IonicContact OD2-NE 2.89Å; D403-R407 PolarHBondContact OD2-NE 3.37Å; D403-R407 VanDerWaalsContact OD2-NE 3.09Å; D403-R407 IonicContact OD2-NH2 3.18Å; D403-R407 PolarHBondContact OD2-NH2 3.42Å; T404-R407 PolarHBondContact O-N 2.98Å; F405-R407 VanDerWaalsContact C-N 3.34Å; R407-L409 PolarHBondContact O-N 3.44Å; R407-K410 PolarHBondContact O-N 2.66Å; R407-K410 VanDerWaalsContact O-N 3.14Å; R407-S411 PolarHBondContact O-N 3.37Å
408Y98.3Very high96.5Very high0 Ų063.4 Ų63.40%030%0.298CS..Hα-helixtrans-55.6-50.3173.3166.9-107.2000112.2L307 D316 F317 F320 T404 F405 K410 S411 Y414L307-Y408 HydrophobicContact CD1-CE1 3.82Å; L307-Y408 HydrophobicContact CD2-CD1 3.75Å; L307-Y408 HydrophobicContact CD2-CE1 3.66Å; L307-Y408 HydrophobicContact CG-CE1 4.42Å; D316-Y408 VanDerWaalsContact OD2-CE2 3.24Å; D316-Y408 WeakPolarHBondContact OD2-CE2 3.47Å; D316-Y408 VanDerWaalsContact OD2-CZ 3.32Å; D316-Y408 PolarHBondContact OD2-OH 3.31Å; F317-Y408 HydrophobicContact CD2-CD1 4.11Å; F317-Y408 AromaticContact CD2-CD2 3.8Å; F317-Y408 HydrophobicContact CD2-CD2 3.8Å; F317-Y408 HydrophobicContact CD2-CE2 4.32Å; F317-Y408 AromaticContact CD2-CG 3.66Å; F317-Y408 HydrophobicContact CD2-CG 3.66Å; F317-Y408 HydrophobicContact CE2-CD2 4.47Å; F317-Y408 HydrophobicContact CE2-CG 4.01Å; F320-Y408 HydrophobicContact CB-CD2 3.7Å; F320-Y408 HydrophobicContact CB-CE2 4.25Å; F320-Y408 HydrophobicContact CD1-CD2 4Å; F320-Y408 HydrophobicContact CD1-CG 4.33Å; F320-Y408 HydrophobicContact CD2-CD2 4.36Å; F320-Y408 AromaticContact CG-CD2 3.76Å; F320-Y408 HydrophobicContact CG-CD2 3.76Å; F320-Y408 HydrophobicContact CG-CG 4.47Å; T404-Y408 WeakPolarHBondContact O-CB 3.01Å; T404-Y408 PolarHBondContact O-N 2.77Å; F405-Y408 WeakPolarHBondContact O-CB 3.27Å; F405-Y408 PolarHBondContact O-N 3.27Å; Y408-K410 PolarHBondContact O-N 3.24Å; Y408-K410 VanDerWaalsContact O-N 3.1Å; Y408-S411 VanDerWaalsContact O-CB 3.24Å; Y408-S411 WeakPolarHBondContact O-CB 3.24Å; Y408-S411 PolarHBondContact O-N 3.4Å; Y408-S411 PolarHBondContact O-OG 3.02Å; Y408-Y414 HydrophobicContact CD1-CD2 4.49Å; Y408-Y414 AromaticContact CE1-CD2 3.64Å; Y408-Y414 HydrophobicContact CE1-CD2 3.64Å; Y408-Y414 HydrophobicContact CE1-CE2 4.34Å; Y408-Y414 HydrophobicContact CE1-CG 4.25Å; Y408-Y414 AromaticContact CZ-CD2 3.67Å; Y408-Y414 WeakPolarHBondContact O-CB 3.47Å
409L97.8Very high96.5Very high34 Ų3468.9 Ų68.918%0.17832%0.32CS..Hα-helixtrans-61.6-22.2179.8-65.7-178.2000113.8F405 R407 Y414F405-L409 HydrophobicContact CD1-CD1 4.36Å; F405-L409 HydrophobicContact CE1-CD1 3.74Å; F405-L409 HydrophobicContact CE1-CG 4.48Å; F405-L409 HydrophobicContact CE2-CD1 4.24Å; F405-L409 HydrophobicContact CE2-CD2 4.2Å; F405-L409 HydrophobicContact CE2-CG 4.2Å; F405-L409 HydrophobicContact CZ-CD1 3.68Å; F405-L409 HydrophobicContact CZ-CD2 4.3Å; F405-L409 HydrophobicContact CZ-CG 4.15Å; F405-L409 WeakPolarHBondContact O-CG 3.28Å; F405-L409 PolarHBondContact O-N 3.2Å; R407-L409 PolarHBondContact O-N 3.44Å; L409-Y414 HydrophobicContact CD2-CD1 4.27Å; L409-Y414 HydrophobicContact CD2-CD2 4.19Å; L409-Y414 HydrophobicContact CD2-CE1 4.06Å; L409-Y414 HydrophobicContact CD2-CE2 3.98Å; L409-Y414 HydrophobicContact CD2-CG 4.33Å; L409-Y414 VanDerWaalsContact O-CD1 3.24Å; L409-Y414 WeakPolarHBondContact O-CD1 3.41Å
410K97.4Very high96.6Very high160 Ų16072 Ų7270%0.69633%0.33SS*.Hα-helixtrans-94.7-12.1175.9-67176.2-178.7178.60113.2F406 R407 Y408 K415F406-K410 WeakPolarHBondContact O-CG 3.35Å; F406-K410 PolarHBondContact O-N 3.06Å; R407-K410 PolarHBondContact O-N 2.66Å; R407-K410 VanDerWaalsContact O-N 3.14Å; Y408-K410 PolarHBondContact O-N 3.24Å; Y408-K410 VanDerWaalsContact O-N 3.1Å; K410-K415 WeakPolarHBondContact O-CE 3.43Å
411S97.6Very high96.6Very high9 Ų972.6 Ų72.66%0.06334%0.335CS..SBendtrans-70.3155.9-171.975.50000112.7R407 Y408 T413 Y414 K415R407-S411 PolarHBondContact O-N 3.37Å; Y408-S411 VanDerWaalsContact O-CB 3.24Å; Y408-S411 WeakPolarHBondContact O-CB 3.24Å; Y408-S411 PolarHBondContact O-N 3.4Å; Y408-S411 PolarHBondContact O-OG 3.02Å; S411-T413 PolarHBondContact O-N 3.39Å; S411-T413 PolarHBondContact OG-N 2.91Å; S411-Y414 PolarHBondContact O-N 3.22Å; S411-Y414 PolarHBondContact OG-N 3.22Å; S411-K415 WeakPolarHBondContact O-CG 3.48Å; S411-K415 PolarHBondContact O-N 3Å
412P97.5Very high96.6Very high89 Ų8971.9 Ų71.958%0.57834%0.335SS*.Hα-helixtrans-56.2-35.4169-25.435.1000112.7Y414 K415 E416P412-Y414 PolarHBondContact O-N 3.3Å; P412-K415 PolarHBondContact O-N 2.87Å; P412-E416 WeakPolarHBondContact O-CB 3.26Å; P412-E416 VanDerWaalsContact O-CG 3.3Å; P412-E416 WeakPolarHBondContact O-CG 3.19Å; P412-E416 PolarHBondContact O-N 2.94Å
413T96.8Very high96.5Very high7 Ų768.3 Ų68.34%0.04333%0.33CS..Hα-helixtrans-57.2-51.7178.8-52.70000111.4I319 F320 K323 S411 E416 I417I319-T413 HydrophobicContact CB-CG2 4.39Å; I319-T413 HydrophobicContact CG2-CG2 4.15Å; F320-T413 HydrophobicContact CB-CG2 4.3Å; K323-T413 PolarHBondContact NZ-OG1 3.26Å; S411-T413 PolarHBondContact O-N 3.39Å; S411-T413 PolarHBondContact OG-N 2.91Å; T413-E416 PolarHBondContact O-N 3.43Å; T413-I417 PolarHBondContact O-N 3.21Å; T413-I417 VanDerWaalsContact O-N 3.16Å
414Y97.8Very high96.6Very high13 Ų1366 Ų665%0.05132%0.319CS..Hα-helixtrans-66.8-39.4179-179.2-106.4000112.5V297 W300 Y408 L409 S411 P412 E416 I417 Q418V297-Y414 HydrophobicContact CG1-CE2 3.76Å; V297-Y414 PolarHBondContact O-OH 3.38Å; W300-Y414 HydrophobicContact CE3-CE2 4.36Å; Y408-Y414 HydrophobicContact CD1-CD2 4.49Å; Y408-Y414 AromaticContact CE1-CD2 3.64Å; Y408-Y414 HydrophobicContact CE1-CD2 3.64Å; Y408-Y414 HydrophobicContact CE1-CE2 4.34Å; Y408-Y414 HydrophobicContact CE1-CG 4.25Å; Y408-Y414 AromaticContact CZ-CD2 3.67Å; Y408-Y414 WeakPolarHBondContact O-CB 3.47Å; L409-Y414 HydrophobicContact CD2-CD1 4.27Å; L409-Y414 HydrophobicContact CD2-CD2 4.19Å; L409-Y414 HydrophobicContact CD2-CE1 4.06Å; L409-Y414 HydrophobicContact CD2-CE2 3.98Å; L409-Y414 HydrophobicContact CD2-CG 4.33Å; L409-Y414 VanDerWaalsContact O-CD1 3.24Å; L409-Y414 WeakPolarHBondContact O-CD1 3.41Å; S411-Y414 PolarHBondContact O-N 3.22Å; S411-Y414 PolarHBondContact OG-N 3.22Å; P412-Y414 PolarHBondContact O-N 3.3Å; Y414-E416 VanDerWaalsContact C-N 3.33Å; Y414-E416 PolarHBondContact O-N 3.47Å; Y414-I417 HydrophobicContact CD2-CG2 4.21Å; Y414-I417 WeakPolarHBondContact O-CG2 3.28Å; Y414-I417 PolarHBondContact O-N 3.29Å; Y414-Q418 WeakPolarHBondContact O-CB 3.41Å; Y414-Q418 PolarHBondContact O-N 3.09Å
415K97.3Very high96.4Very high125 Ų12574 Ų7454%0.54336%0.356SS..Hα-helixtrans-64.9-36.9177.6-69.1178.5-177.9176.50112.3K410 S411 P412 K419K410-K415 WeakPolarHBondContact O-CE 3.43Å; S411-K415 WeakPolarHBondContact O-CG 3.48Å; S411-K415 PolarHBondContact O-N 3Å; P412-K415 PolarHBondContact O-N 2.87Å; K415-K419 WeakPolarHBondContact O-CB 3.32Å; K415-K419 PolarHBondContact O-N 3.02Å
416E96.6Very high96Very high102 Ų10276.3 Ų76.348%0.47738%0.377SS..Hα-helixtrans-66.9-45.3176.6-78.6177.8-162.100112.1P412 T413 Y414 Q418 K419 K420P412-E416 WeakPolarHBondContact O-CB 3.26Å; P412-E416 VanDerWaalsContact O-CG 3.3Å; P412-E416 WeakPolarHBondContact O-CG 3.19Å; P412-E416 PolarHBondContact O-N 2.94Å; T413-E416 PolarHBondContact O-N 3.43Å; Y414-E416 VanDerWaalsContact C-N 3.33Å; Y414-E416 PolarHBondContact O-N 3.47Å; E416-Q418 VanDerWaalsContact C-N 3.32Å; E416-Q418 PolarHBondContact O-N 3.15Å; E416-K419 PolarHBondContact O-N 2.93Å; E416-K420 WeakPolarHBondContact O-CG 3.47Å; E416-K420 PolarHBondContact O-N 3.21Å
417I96.2Very high95.6Very high11 Ų1174.3 Ų74.36%0.05637%0.369CS..Hα-helixtrans-66.3-37177.5-165.866.2000111P292 V297 W300 T413 Y414 K419 K420 A421P292-I417 HydrophobicContact CG-CD1 4.06Å; P292-I417 HydrophobicContact CG-CG1 4.05Å; V297-I417 HydrophobicContact CG1-CG2 4.12Å; V297-I417 HydrophobicContact CG2-CG1 4.32Å; W300-I417 HydrophobicContact CH2-CG1 4.36Å; W300-I417 HydrophobicContact CZ3-CG1 4.16Å; W300-I417 HydrophobicContact CZ3-CG2 4.11Å; T413-I417 PolarHBondContact O-N 3.21Å; T413-I417 VanDerWaalsContact O-N 3.16Å; Y414-I417 HydrophobicContact CD2-CG2 4.21Å; Y414-I417 WeakPolarHBondContact O-CG2 3.28Å; Y414-I417 PolarHBondContact O-N 3.29Å; I417-K419 VanDerWaalsContact C-N 3.33Å; I417-K419 PolarHBondContact O-N 2.88Å; I417-K420 PolarHBondContact O-N 2.92Å; I417-A421 WeakPolarHBondContact O-CB 3.35Å; I417-A421 PolarHBondContact O-N 2.96Å
418Q96.6Very high94.9Very high90 Ų9077.4 Ų77.442%0.42139%0.392SS..Hα-helixtrans-62.1-39.4174-169.1-179.329.800112.2V297 Y414 E416V297-Q418 HydrophobicContact CG1-CB 4.32Å; Y414-Q418 WeakPolarHBondContact O-CB 3.41Å; Y414-Q418 PolarHBondContact O-N 3.09Å; E416-Q418 VanDerWaalsContact C-N 3.32Å; E416-Q418 PolarHBondContact O-N 3.15Å
419K96.1Very high94.3Very high188 Ų18880.3 Ų80.382%0.81741%0.405SS*.Hα-helixtrans-68.8-36.4176.4-175.3179.8178.4-177.80112.5K415 E416 I417K415-K419 WeakPolarHBondContact O-CB 3.32Å; K415-K419 PolarHBondContact O-N 3.02Å; E416-K419 PolarHBondContact O-N 2.93Å; I417-K419 VanDerWaalsContact C-N 3.33Å; I417-K419 PolarHBondContact O-N 2.88Å
420K95.8Very high93.8Very high140 Ų14081 Ų8161%0.60941%0.413SS*.Hα-helixtrans-80.6-17.7179.8-70.4174.6-179.1173.10113.2V291 E416 I417 L422V291-K420 WeakPolarHBondContact CG1-O 3.45Å; E416-K420 WeakPolarHBondContact O-CG 3.47Å; E416-K420 PolarHBondContact O-N 3.21Å; I417-K420 PolarHBondContact O-N 2.92Å; K420-L422 PolarHBondContact O-N 3.41Å
421A96.4Very high93.3Very high12 Ų1278.6 Ų78.610%0.09941%0.413CS..  trans-60.1136.1-172.900000112.4P292 K294 V297 I417P292-A421 CarbonylContact O-C 3.56Å; P292-A421 VanDerWaalsContact O-CA 3.28Å; P292-A421 WeakPolarHBondContact O-CA 3.42Å; K294-A421 HydrophobicContact CB-CB 4.16Å; V297-A421 HydrophobicContact CB-CB 4.47Å; V297-A421 HydrophobicContact CG2-CB 3.93Å; I417-A421 WeakPolarHBondContact O-CB 3.35Å; I417-A421 PolarHBondContact O-N 2.96Å
422L95.4Very high92.9Very high76 Ų7681.2 Ų81.240%0.39844%0.435SS..BIsolated β-bridgetrans-71.2137.4-178.2-65.1170.7000110.6L284 V291 P292 T293 K294 K420 P424L284-L422 HydrophobicContact CD2-CD1 4.05Å; V291-L422 HydrophobicContact CB-CD1 4.12Å; V291-L422 HydrophobicContact CB-CG 4.13Å; V291-L422 HydrophobicContact CG1-CD1 4.26Å; V291-L422 HydrophobicContact CG1-CD2 4.31Å; V291-L422 HydrophobicContact CG1-CG 3.71Å; P292-L422 PolarHBondContact O-N 3.29Å; T293-L422 CarbonylContact C-O 3.49Å; T293-L422 VanDerWaalsContact CA-O 3.28Å; T293-L422 WeakPolarHBondContact CA-O 3.5Å; K294-L422 PolarHBondContact N-O 3.34Å; K420-L422 PolarHBondContact O-N 3.41Å; L422-P424 WeakPolarHBondContact O-CD 3.43Å
423S93.4Very high92.4Very high80 Ų8081.1 Ų81.156%0.55943%0.427SS*.  trans-114.989.4168.1-60.40000107.5K294 E425K294-S423 WeakPolarHBondContact CD-OG 3.34Å; S423-E425 PolarHBondContact O-N 3.19Å
424P93.1Very high91.9Very high30 Ų3083.6 Ų83.620%0.19544%0.44CS..PPolyproline II helixtrans-59.8137.5-178.9-19.732000110.3L269 P270 L284 T293 L422L269-P424 HydrophobicContact CB-CB 4.37Å; P270-P424 HydrophobicContact CB-CB 4.44Å; L284-P424 HydrophobicContact CD1-CB 3.93Å; L284-P424 HydrophobicContact CD1-CG 3.66Å; T293-P424 HydrophobicContact CG2-CG 4.17Å; L422-P424 WeakPolarHBondContact O-CD 3.43Å
425E91.6Very high91.4Very high173 Ų17388.4 Ų88.481%0.80846%0.463SS*.PPolyproline II helixtrans-74.6151.4172.4-65-173.1173.200110.4P270 S423P270-E425 WeakPolarHBondContact CA-O 3.32Å; P270-E425 WeakPolarHBondContact CB-O 3.34Å; S423-E425 PolarHBondContact O-N 3.19Å
426A90.8Very high90.9Very high56 Ų5687.6 Ų87.646%0.46346%0.461SS..PPolyproline II helixtrans-66.6135.9175.300000110L269 P270L269-A426 HydrophobicContact CD2-CB 3.69Å; P270-A426 WeakPolarHBondContact O-CA 3.34Å
427H87.3Confident90.3Very high71 Ų7184.4 Ų84.433%0.32945%0.447SS..PPolyproline II helixtrans-71.3138.6167.6-70.5170.4000110.1P270 S271 H278 F429P270-H427 PolarHBondContact O-N 3.31Å; S271-H427 PolarHBondContact OG-ND1 3.45Å; H278-H427 AromaticContact CD2-CE1 3.89Å; H278-H427 AromaticContact CE1-CE1 3.76Å; H278-H427 AromaticContact CG-CE1 3.84Å; H278-H427 AromaticContact ND1-CE1 3.72Å; H278-H427 AromaticContact NE2-CE1 3.82Å; H427-F429 HydrophobicContact CB-CD2 3.6Å; H427-F429 HydrophobicContact CB-CE2 3.33Å; H427-F429 HydrophobicContact CB-CZ 4.27Å; H427-F429 AromaticContact CG-CE2 3.78Å; H427-F429 AromaticContact ND1-CE2 3.48Å; H427-F429 WeakPolarHBondContact ND1-CE2 3.34Å; H427-F429 AromaticContact ND1-CZ 3.9Å; H427-F429 PolarHBondContact O-N 3.47Å
428N83.8Confident89.7Confident160 Ų16086.3 Ų86.386%0.85646%0.464SS*.  trans-99.369178.4-66-37.9000110.7
429F85.1Confident89.1Confident61 Ų6190.1 Ų90.127%0.26848%0.475SS..  trans-75.1133.6171.8-68-80.7000110.3T276 H278 H427 L434T276-F429 HydrophobicContact CG2-CD2 3.47Å; T276-F429 VanDerWaalsContact CG2-CD2 3.47Å; T276-F429 HydrophobicContact CG2-CE2 3.53Å; T276-F429 HydrophobicContact CG2-CG 4.2Å; T276-F429 HydrophobicContact CG2-CZ 4.32Å; H278-F429 HydrophobicContact CB-CZ 4.1Å; H427-F429 HydrophobicContact CB-CD2 3.6Å; H427-F429 HydrophobicContact CB-CE2 3.33Å; H427-F429 HydrophobicContact CB-CZ 4.27Å; H427-F429 AromaticContact CG-CE2 3.78Å; H427-F429 AromaticContact ND1-CE2 3.48Å; H427-F429 WeakPolarHBondContact ND1-CE2 3.34Å; H427-F429 AromaticContact ND1-CZ 3.9Å; H427-F429 PolarHBondContact O-N 3.47Å; F429-L434 HydrophobicContact CB-CD2 3.84Å; F429-L434 HydrophobicContact CB-CG 4.11Å; F429-L434 HydrophobicContact CG-CD2 4.28Å
430S87.4Confident88.4Confident48 Ų4886.5 Ų86.534%0.33646%0.464SS..  trans-75.2151.217370.30000110.8A432 Q433 L434S430-A432 PolarHBondContact O-N 2.91Å; S430-A432 VanDerWaalsContact O-N 3.15Å; S430-Q433 WeakPolarHBondContact O-CB 3.29Å; S430-Q433 PolarHBondContact O-N 2.92Å; S430-Q433 WeakPolarHBondContact OG-CG 3.48Å; S430-Q433 PolarHBondContact OG-N 3.24Å; S430-Q433 PolarHBondContact OG-OE1 2.91Å; S430-Q433 VanDerWaalsContact OG-OE1 3.12Å; S430-L434 PolarHBondContact O-N 2.83Å
431P88Confident87.5Confident110 Ų11084.9 Ų84.971%0.71445%0.454SS*.Hα-helixtrans-54.5-34.3176.4-27.735.4000113.6L434 E435P431-L434 PolarHBondContact O-N 3.16Å; P431-E435 PolarHBondContact O-N 3.27Å
432A88.6Confident86.3Confident63 Ų6389.1 Ų89.152%0.52148%0.483SS..Hα-helixtrans-64.7-40.7177.300000112.4S430 E435 E436S430-A432 PolarHBondContact O-N 2.91Å; S430-A432 VanDerWaalsContact O-N 3.15Å; A432-E435 PolarHBondContact O-N 2.86Å; A432-E436 WeakPolarHBondContact O-CB 3.27Å; A432-E436 PolarHBondContact O-N 3.33Å
433Q86.1Confident84.9Confident88 Ų8890.3 Ų90.341%0.41151%0.505SS..Hα-helixtrans-65.6-40.6175.9-73.1168.3-44.800111.6S430 E435 E436 N437S430-Q433 WeakPolarHBondContact O-CB 3.29Å; S430-Q433 PolarHBondContact O-N 2.92Å; S430-Q433 WeakPolarHBondContact OG-CG 3.48Å; S430-Q433 PolarHBondContact OG-N 3.24Å; S430-Q433 PolarHBondContact OG-OE1 2.91Å; S430-Q433 VanDerWaalsContact OG-OE1 3.12Å; Q433-E435 VanDerWaalsContact C-N 3.32Å; Q433-E435 PolarHBondContact O-N 3.28Å; Q433-E436 PolarHBondContact O-N 3.32Å; Q433-N437 WeakPolarHBondContact O-CB 3.34Å; Q433-N437 PolarHBondContact O-N 3.09Å; Q433-N437 PolarHBondContact O-OD1 3.47Å
434L86.8Confident83.4Confident58 Ų5889.6 Ų89.630%0.30451%0.51SS..Hα-helixtrans-64.7-38.9177.2-62.7177.7000111.8T276 F429 S430 P431 A438T276-L434 HydrophobicContact CG2-CD2 3.9Å; F429-L434 HydrophobicContact CB-CD2 3.84Å; F429-L434 HydrophobicContact CB-CG 4.11Å; F429-L434 HydrophobicContact CG-CD2 4.28Å; S430-L434 PolarHBondContact O-N 2.83Å; P431-L434 PolarHBondContact O-N 3.16Å; L434-A438 WeakPolarHBondContact O-CB 3.32Å; L434-A438 PolarHBondContact O-N 3.26Å
435E86.9Confident82.3Confident115 Ų11592.6 Ų92.654%0.53752%0.523SS..Hα-helixtrans-70.1-37.4176.6-166.7-174-166.500112.2P431 A432 Q433 A438 R439P431-E435 PolarHBondContact O-N 3.27Å; A432-E435 PolarHBondContact O-N 2.86Å; Q433-E435 VanDerWaalsContact C-N 3.32Å; Q433-E435 PolarHBondContact O-N 3.28Å; E435-A438 PolarHBondContact O-N 3.14Å; E435-R439 WeakPolarHBondContact O-CB 3.21Å; E435-R439 WeakPolarHBondContact O-CG 2.94Å; E435-R439 PolarHBondContact O-N 2.92Å; E435-R439 PolarHBondContact O-NE 2.91Å; E435-R439 IonicContact OE1-NH2 3.45Å; E435-R439 IonicContact OE2-NH2 3.5Å; E435-R439 PolarHBondContact OE2-NH2 3.4Å; E435-R439 VanDerWaalsContact OE2-NH2 3.12Å
436E86.4Confident81.2Confident107 Ų10789.7 Ų89.750%0.551%0.509SS..Hα-helixtrans-63.7-46.9172.8-177.4173.6-17000111.3A432 Q433 A438 R439 N440A432-E436 WeakPolarHBondContact O-CB 3.27Å; A432-E436 PolarHBondContact O-N 3.33Å; Q433-E436 PolarHBondContact O-N 3.32Å; E436-A438 VanDerWaalsContact C-N 3.33Å; E436-A438 PolarHBondContact O-N 3.46Å; E436-R439 WeakPolarHBondContact O-CB 3.35Å; E436-R439 PolarHBondContact O-N 2.98Å; E436-R439 VanDerWaalsContact O-N 3.12Å; E436-N440 WeakPolarHBondContact O-CB 3.48Å; E436-N440 VanDerWaalsContact O-CG 3.3Å; E436-N440 PolarHBondContact O-N 2.66Å; E436-N440 PolarHBondContact O-ND2 3.14Å
437N84.8Confident80.3Confident36 Ų3691.6 Ų91.619%0.19352%0.517CS..Hα-helixtrans-56.8-47.9173.8-71.9-2.6000110.9T276 Q433 R439 N440 R441T276-N437 PolarHBondContact O-ND2 3.15Å; T276-N437 VanDerWaalsContact O-ND2 3.14Å; Q433-N437 WeakPolarHBondContact O-CB 3.34Å; Q433-N437 PolarHBondContact O-N 3.09Å; Q433-N437 PolarHBondContact O-OD1 3.47Å; N437-R439 VanDerWaalsContact C-N 3.28Å; N437-R439 PolarHBondContact O-N 3.4Å; N437-N440 CarbonylContact O-C 3.6Å; N437-N440 PolarHBondContact O-N 2.96Å; N437-N440 VanDerWaalsContact O-N 3.07Å; N437-R441 WeakPolarHBondContact O-CG 3.35Å; N437-R441 PolarHBondContact O-N 2.7Å
438A83.8Confident79.8Confident50 Ų5092.8 Ų92.841%0.41353%0.525SS..Hα-helixtrans-59.5-36.7177.200000113L434 E435 E436L434-A438 WeakPolarHBondContact O-CB 3.32Å; L434-A438 PolarHBondContact O-N 3.26Å; E435-A438 PolarHBondContact O-N 3.14Å; E436-A438 VanDerWaalsContact C-N 3.33Å; E436-A438 PolarHBondContact O-N 3.46Å
439R83.5Confident79.6Confident170 Ų17088.7 Ų88.764%0.64250%0.502SS*.Hα-helixtrans-70.2-34.3174.5-78.5-178.7-93.2-178.9-13.2112.9E435 E436 N437 R441E435-R439 WeakPolarHBondContact O-CB 3.21Å; E435-R439 WeakPolarHBondContact O-CG 2.94Å; E435-R439 PolarHBondContact O-N 2.92Å; E435-R439 PolarHBondContact O-NE 2.91Å; E435-R439 IonicContact OE1-NH2 3.45Å; E435-R439 IonicContact OE2-NH2 3.5Å; E435-R439 PolarHBondContact OE2-NH2 3.4Å; E435-R439 VanDerWaalsContact OE2-NH2 3.12Å; E436-R439 WeakPolarHBondContact O-CB 3.35Å; E436-R439 PolarHBondContact O-N 2.98Å; E436-R439 VanDerWaalsContact O-N 3.12Å; N437-R439 VanDerWaalsContact C-N 3.28Å; N437-R439 PolarHBondContact O-N 3.4Å; R439-R441 VanDerWaalsContact C-N 3.31Å
440N80.9Confident79.2Confident112 Ų11289.7 Ų89.760%0.59951%0.51SS*.Hα-helixtrans-79.6-12.7179.1-69.4-23.3000113.1E436 N437 S442E436-N440 WeakPolarHBondContact O-CB 3.48Å; E436-N440 VanDerWaalsContact O-CG 3.3Å; E436-N440 PolarHBondContact O-N 2.66Å; E436-N440 PolarHBondContact O-ND2 3.14Å; N437-N440 CarbonylContact O-C 3.6Å; N437-N440 PolarHBondContact O-N 2.96Å; N437-N440 VanDerWaalsContact O-N 3.07Å; N440-S442 PolarHBondContact O-N 2.89Å
441R78.2Confident78.7Confident106 Ų10694.2 Ų94.240%0.452%0.52SS..  trans-64.5108.3172.2-74.1175.2-172.113815.7110.3W274 E275 D277 N437 R439W274-R441 PolarHBondContact O-NH1 2.73Å; W274-R441 PolarHBondContact O-NH2 3.5Å; E275-R441 VanDerWaalsContact CA-NH2 3.32Å; E275-R441 PolarHBondContact O-NH2 3.04Å; D277-R441 IonicContact OD1-CZ 2.66Å; D277-R441 IonicContact OD1-NE 2.71Å; D277-R441 PolarHBondContact OD1-NE 3.42Å; D277-R441 IonicContact OD1-NH2 3.12Å; D277-R441 PolarHBondContact OD1-NH2 3.26Å; D277-R441 IonicContact OD2-NE 2.72Å; D277-R441 IonicContact OD2-NH2 3.9Å; N437-R441 WeakPolarHBondContact O-CG 3.35Å; N437-R441 PolarHBondContact O-N 2.7Å; R439-R441 VanDerWaalsContact C-N 3.31Å
442S70.3Confident78.5Confident101 Ų10193.8 Ų93.871%0.70651%0.508SS*.  trans-86.3153.1166.258.80000110.1N440 G444N440-S442 PolarHBondContact O-N 2.89Å; S442-G444 PolarHBondContact O-N 2.9Å
443A66.6Low78.3Confident102 Ų10295.1 Ų95.184%0.84350%0.504SS*.  trans-55.9115.816300000106.6
444G62.5Low78.1Confident65 Ų6596 Ų9667%0.6751%0.508SS*.PPolyproline II helixtrans-50.1158.8-172.600000112.6S442 H446S442-G444 PolarHBondContact O-N 2.9Å; G444-H446 PolarHBondContact O-N 3.19Å; G444-H446 VanDerWaalsContact O-N 3.16Å
445I68.3Low78Confident93 Ų9398.3 Ų98.348%0.47752%0.517SS..PPolyproline II helixtrans-48.8125.1-179.6-61.4173.1000109.4I449 L450I445-I449 HydrophobicContact CG2-CB 3.51Å; I445-I449 HydrophobicContact CG2-CD1 4.17Å; I445-I449 HydrophobicContact CG2-CG1 4.42Å; I445-I449 HydrophobicContact CG2-CG2 3.49Å; I445-I449 VanDerWaalsContact CG2-CG2 3.49Å; I445-L450 HydrophobicContact CB-CD2 4.2Å; I445-L450 HydrophobicContact CB-CG 4.23Å; I445-L450 HydrophobicContact CD1-CD2 4.49Å; I445-L450 HydrophobicContact CG2-CD2 4.11Å; I445-L450 HydrophobicContact CG2-CG 4Å
446H68.7Low77.9Confident111 Ų11198.3 Ų98.351%0.51452%0.517SS..PPolyproline II helixtrans-52.7134.3-176.7-172.1-82.1000109.8G444 I448 I449 L450G444-H446 PolarHBondContact O-N 3.19Å; G444-H446 VanDerWaalsContact O-N 3.16Å; H446-I448 VanDerWaalsContact CE1-CD1 3.45Å; H446-I448 WeakPolarHBondContact CE1-CD1 3.26Å; H446-I448 WeakPolarHBondContact ND1-CB 3.35Å; H446-I448 PolarHBondContact ND1-N 3.43Å; H446-I448 PolarHBondContact O-N 3.16Å; H446-I449 HydrophobicContact CB-CD1 4.05Å; H446-I449 HydrophobicContact CB-CG1 4.3Å; H446-I449 WeakPolarHBondContact O-CA 3.28Å; H446-I449 WeakPolarHBondContact O-CB 3.37Å; H446-I449 PolarHBondContact O-N 3.31Å; H446-L450 PolarHBondContact O-N 3.04Å
447P72.8Confident77.7Confident96 Ų9699.8 Ų99.862%0.62352%0.524SS*.Hα-helixtrans-53.3-29.9-172.7-29.634.4000115.1I449 L450 W451P447-I449 VanDerWaalsContact C-N 3.33Å; P447-I449 PolarHBondContact O-N 2.79Å; P447-L450 PolarHBondContact O-N 3.41Å; P447-W451 WeakPolarHBondContact O-CB 3.46Å; P447-W451 PolarHBondContact O-N 2.8Å
448I77.2Confident77.6Confident96 Ų96104.7 Ų104.749%0.49254%0.543SS..Hα-helixtrans-61.7-39.5174.1-65.1176000112H446 W451 Q452H446-I448 VanDerWaalsContact CE1-CD1 3.45Å; H446-I448 WeakPolarHBondContact CE1-CD1 3.26Å; H446-I448 WeakPolarHBondContact ND1-CB 3.35Å; H446-I448 PolarHBondContact ND1-N 3.43Å; H446-I448 PolarHBondContact O-N 3.16Å; I448-W451 PolarHBondContact O-N 3Å; I448-Q452 VanDerWaalsContact O-CG 3.27Å; I448-Q452 WeakPolarHBondContact O-CG 3.38Å; I448-Q452 PolarHBondContact O-N 3.42Å
449I77.8Confident77.5Confident75 Ų75105.1 Ų105.139%0.38555%0.547SS..Hα-helixtrans-69.2-42.1179-58.8170.8000109.5I445 H446 P447 W451 Q452 Q453I445-I449 HydrophobicContact CG2-CB 3.51Å; I445-I449 HydrophobicContact CG2-CD1 4.17Å; I445-I449 HydrophobicContact CG2-CG1 4.42Å; I445-I449 HydrophobicContact CG2-CG2 3.49Å; I445-I449 VanDerWaalsContact CG2-CG2 3.49Å; H446-I449 HydrophobicContact CB-CD1 4.05Å; H446-I449 HydrophobicContact CB-CG1 4.3Å; H446-I449 WeakPolarHBondContact O-CA 3.28Å; H446-I449 WeakPolarHBondContact O-CB 3.37Å; H446-I449 PolarHBondContact O-N 3.31Å; P447-I449 VanDerWaalsContact C-N 3.33Å; P447-I449 PolarHBondContact O-N 2.79Å; I449-W451 VanDerWaalsContact C-N 3.33Å; I449-W451 PolarHBondContact O-N 2.86Å; I449-Q452 PolarHBondContact O-N 2.76Å; I449-Q453 VanDerWaalsContact O-CG 3.31Å; I449-Q453 WeakPolarHBondContact O-CG 3.38Å; I449-Q453 PolarHBondContact O-N 3.49Å
450L76.9Confident77.5Confident81 Ų81103.5 Ų103.542%0.42454%0.544SS..Hα-helixtrans-60.8-42.9174.1-67.8172.8000111.4I445 H446 P447 Q453 E454I445-L450 HydrophobicContact CB-CD2 4.2Å; I445-L450 HydrophobicContact CB-CG 4.23Å; I445-L450 HydrophobicContact CD1-CD2 4.49Å; I445-L450 HydrophobicContact CG2-CD2 4.11Å; I445-L450 HydrophobicContact CG2-CG 4Å; H446-L450 PolarHBondContact O-N 3.04Å; P447-L450 PolarHBondContact O-N 3.41Å; L450-Q453 PolarHBondContact O-N 3.39Å; L450-E454 PolarHBondContact O-N 3.12Å
451W78Confident77.3Confident144 Ų144101 Ų10155%0.54554%0.539SS..Hα-helixtrans-63-42.1176.7-179.571.5000112.5P447 I448 I449 Q453 E454 E455P447-W451 WeakPolarHBondContact O-CB 3.46Å; P447-W451 PolarHBondContact O-N 2.8Å; I448-W451 PolarHBondContact O-N 3Å; I449-W451 VanDerWaalsContact C-N 3.33Å; I449-W451 PolarHBondContact O-N 2.86Å; W451-Q453 VanDerWaalsContact C-N 3.34Å; W451-E454 PolarHBondContact O-N 3.34Å; W451-E455 HydrophobicContact CD2-CG 4.37Å; W451-E455 HydrophobicContact CH2-CG 4.36Å; W451-E455 HydrophobicContact CZ2-CG 3.95Å; W451-E455 WeakPolarHBondContact O-CG 3.41Å; W451-E455 PolarHBondContact O-N 2.97Å
452Q83.6Confident77.3Confident100 Ų10098.8 Ų98.847%0.46754%0.544SS..Hα-helixtrans-62.3-41.2174.4-74.9171.1-18.300111.9I448 I449 E455 E456I448-Q452 VanDerWaalsContact O-CG 3.27Å; I448-Q452 WeakPolarHBondContact O-CG 3.38Å; I448-Q452 PolarHBondContact O-N 3.42Å; I449-Q452 PolarHBondContact O-N 2.76Å; Q452-E455 PolarHBondContact O-N 2.8Å; Q452-E456 WeakPolarHBondContact O-CG 3.33Å; Q452-E456 PolarHBondContact O-N 2.92Å
453Q83.6Confident77.6Confident92 Ų9297.4 Ų97.443%0.4354%0.538SS..Hα-helixtrans-65-42.8175.8-72.6172.8-1100112I449 L450 W451 E455 E456 E457I449-Q453 VanDerWaalsContact O-CG 3.31Å; I449-Q453 WeakPolarHBondContact O-CG 3.38Å; I449-Q453 PolarHBondContact O-N 3.49Å; L450-Q453 PolarHBondContact O-N 3.39Å; W451-Q453 VanDerWaalsContact C-N 3.34Å; Q453-E455 PolarHBondContact O-N 3.43Å; Q453-E456 PolarHBondContact O-N 3.16Å; Q453-E457 WeakPolarHBondContact O-CG 3.31Å; Q453-E457 PolarHBondContact O-N 3.09Å
454E83.6Confident77.9Confident107 Ų10796.9 Ų96.950%0.553%0.534SS..Hα-helixtrans-63.2-39.4174.9-79.4-172.6179.200112.5L450 W451 E457 K458L450-E454 PolarHBondContact O-N 3.12Å; W451-E454 PolarHBondContact O-N 3.34Å; E454-E457 PolarHBondContact O-N 3.42Å; E454-K458 WeakPolarHBondContact O-CB 3.42Å; E454-K458 WeakPolarHBondContact O-CG 3.35Å; E454-K458 PolarHBondContact O-N 3.26Å
455E83.8Confident78.2Confident105 Ų10598.2 Ų98.249%0.49153%0.533SS..Hα-helixtrans-63.4-43.7174.2-77.3-115.9121.600111.3W451 Q452 Q453 K458 A459W451-E455 HydrophobicContact CD2-CG 4.37Å; W451-E455 HydrophobicContact CH2-CG 4.36Å; W451-E455 HydrophobicContact CZ2-CG 3.95Å; W451-E455 WeakPolarHBondContact O-CG 3.41Å; W451-E455 PolarHBondContact O-N 2.97Å; Q452-E455 PolarHBondContact O-N 2.8Å; Q453-E455 PolarHBondContact O-N 3.43Å; E455-K458 PolarHBondContact O-N 2.82Å; E455-A459 VanDerWaalsContact O-CB 3.3Å; E455-A459 WeakPolarHBondContact O-CB 3.31Å; E455-A459 PolarHBondContact O-N 3.03Å
456E84.4Confident78.3Confident116 Ų11696.4 Ų96.454%0.54253%0.532SS..Hα-helixtrans-63.9-41.2175.2-78.3-174.2-173.300112.6Q452 Q453 A459 K460Q452-E456 WeakPolarHBondContact O-CG 3.33Å; Q452-E456 PolarHBondContact O-N 2.92Å; Q453-E456 PolarHBondContact O-N 3.16Å; E456-A459 PolarHBondContact O-N 3Å; E456-K460 WeakPolarHBondContact O-CB 3.49Å; E456-K460 VanDerWaalsContact O-CG 3.27Å; E456-K460 WeakPolarHBondContact O-CG 3.47Å; E456-K460 PolarHBondContact O-N 3Å
457E82.9Confident78Confident137 Ų13797.2 Ų97.264%0.6455%0.547SS*.Hα-helixtrans-65.8-42176-78.7-171.3165.800111.8Q453 E454 A459 K460 A461Q453-E457 WeakPolarHBondContact O-CG 3.31Å; Q453-E457 PolarHBondContact O-N 3.09Å; E454-E457 PolarHBondContact O-N 3.42Å; E457-A459 VanDerWaalsContact C-N 3.34Å; E457-K460 PolarHBondContact O-N 2.92Å; E457-A461 WeakPolarHBondContact O-CB 3.5Å; E457-A461 PolarHBondContact O-N 3.37Å
458K83.2Confident77.4Confident139 Ų13998 Ų9860%0.60455%0.55SS*.Hα-helixtrans-63-41.5173.1-78.6176-175.2164.30111.6E454 E455 A461 A462E454-K458 WeakPolarHBondContact O-CB 3.42Å; E454-K458 WeakPolarHBondContact O-CG 3.35Å; E454-K458 PolarHBondContact O-N 3.26Å; E455-K458 PolarHBondContact O-N 2.82Å; K458-A461 PolarHBondContact O-N 3.21Å; K458-A462 VanDerWaalsContact O-CB 3.24Å; K458-A462 WeakPolarHBondContact O-CB 3.44Å; K458-A462 PolarHBondContact O-N 2.75Å
459A81.3Confident76.6Confident59 Ų5998.3 Ų98.349%0.48855%0.553SS.*Hα-helixtrans-63.6-41.7175.600000111.4E455 E456 E457 A462 A463E455-A459 VanDerWaalsContact O-CB 3.3Å; E455-A459 WeakPolarHBondContact O-CB 3.31Å; E455-A459 PolarHBondContact O-N 3.03Å; E456-A459 PolarHBondContact O-N 3Å; E457-A459 VanDerWaalsContact C-N 3.34Å; A459-A462 PolarHBondContact O-N 3.49Å; A459-A463 WeakPolarHBondContact O-CB 3.3Å; A459-A463 PolarHBondContact O-N 3.14Å
460K82.8Confident75.6Confident136 Ų13699.2 Ų99.259%0.59156%0.562SS**Hα-helixtrans-64.7-43174.2-74.9169.9-174.9165.50112.1E456 E457 A463 A464E456-K460 WeakPolarHBondContact O-CB 3.49Å; E456-K460 VanDerWaalsContact O-CG 3.27Å; E456-K460 WeakPolarHBondContact O-CG 3.47Å; E456-K460 PolarHBondContact O-N 3Å; E457-K460 PolarHBondContact O-N 2.92Å; K460-A463 PolarHBondContact O-N 2.81Å; K460-A464 WeakPolarHBondContact O-CB 3.16Å; K460-A464 PolarHBondContact O-N 2.75Å
461A77.8Confident74.5Confident60 Ų60103.8 Ų103.850%0.49658%0.578SS.*Hα-helixtrans-67-37.7176.900000112.3E457 K458 A464 S465E457-A461 WeakPolarHBondContact O-CB 3.5Å; E457-A461 PolarHBondContact O-N 3.37Å; K458-A461 PolarHBondContact O-N 3.21Å; A461-A464 PolarHBondContact O-N 3.01Å; A461-S465 WeakPolarHBondContact O-CB 3.49Å; A461-S465 PolarHBondContact O-N 3.42Å; A461-S465 PolarHBondContact O-OG 2.84Å
462A78.6Confident73.5Confident59 Ų5999.2 Ų99.249%0.48857%0.571SS.*Hα-helixtrans-65.8-40.9172.800000111.6K458 A459 S465 A466K458-A462 VanDerWaalsContact O-CB 3.24Å; K458-A462 WeakPolarHBondContact O-CB 3.44Å; K458-A462 PolarHBondContact O-N 2.75Å; A459-A462 PolarHBondContact O-N 3.49Å; A462-S465 WeakPolarHBondContact CA-OG 3.41Å; A462-S465 PolarHBondContact O-N 3.15Å; A462-S465 PolarHBondContact O-OG 2.83Å; A462-A466 PolarHBondContact O-N 3.39Å; A462-A466 VanDerWaalsContact O-N 3.1Å
463A75.7Confident72.2Confident72 Ų7298.1 Ų98.160%0.59557%0.571SS**Hα-helixtrans-67.1-37.1175.200000112.2A459 K460 A466A459-A463 WeakPolarHBondContact O-CB 3.3Å; A459-A463 PolarHBondContact O-N 3.14Å; K460-A463 PolarHBondContact O-N 2.81Å; A463-A466 WeakPolarHBondContact O-CB 3.27Å; A463-A466 PolarHBondContact O-N 3.45Å
464A72.9Confident70.5Confident91 Ų9199.3 Ų99.375%0.75258%0.578SS**Hα-helixtrans-73.6-24.7176.700000113.6K460 A461K460-A464 WeakPolarHBondContact O-CB 3.16Å; K460-A464 PolarHBondContact O-N 2.75Å; A461-A464 PolarHBondContact O-N 3.01Å
465S68.5Low69.1Low94 Ų9497.5 Ų97.566%0.65758%0.577SS**THydrogen-bonded Turntrans-94.71.4175.355.40000113.6A461 A462A461-S465 WeakPolarHBondContact O-CB 3.49Å; A461-S465 PolarHBondContact O-N 3.42Å; A461-S465 PolarHBondContact O-OG 2.84Å; A462-S465 WeakPolarHBondContact CA-OG 3.41Å; A462-S465 PolarHBondContact O-N 3.15Å; A462-S465 PolarHBondContact O-OG 2.83Å
466A70.1Confident67.7Low55 Ų55100.4 Ų100.446%0.45559%0.588SS.*SBendtrans-62.5131173.500000109.8A462 A463 V468A462-A466 PolarHBondContact O-N 3.39Å; A462-A466 VanDerWaalsContact O-N 3.1Å; A463-A466 WeakPolarHBondContact O-CB 3.27Å; A463-A466 PolarHBondContact O-N 3.45Å; A466-V468 PolarHBondContact O-N 3.39Å
467P62.5Low66.4Low127 Ų127100.4 Ų100.483%0.82559%0.59SS**PPolyproline II helixtrans-61.2123-177.922.5-30.9000110D469P467-D469 PolarHBondContact O-N 3.15Å
468V61.3Low64.9Low112 Ų112100.5 Ų100.568%0.67960%0.595SS**PPolyproline II helixtrans-60.4123.2174.1178.90000108.3A466 V470 V473A466-V468 PolarHBondContact O-N 3.39Å; V468-V470 WeakPolarHBondContact O-CG2 3.32Å; V468-V470 PolarHBondContact O-N 3.24Å; V468-V473 HydrophobicContact CG1-CG2 4.05Å
469D60.4Low63.5Low104 Ų104104.7 Ų104.756%0.55661%0.607SS**  trans-66.597.4177.3-176.92.5000110.5P467 K471 A472 V473P467-D469 PolarHBondContact O-N 3.15Å; D469-K471 PolarHBondContact O-N 2.93Å; D469-K471 WeakPolarHBondContact OD1-CB 3.37Å; D469-K471 PolarHBondContact OD1-N 2.84Å; D469-K471 VanDerWaalsContact OD1-N 3.07Å; D469-A472 HydrophobicContact CB-CB 4.34Å; D469-A472 PolarHBondContact O-N 3.47Å; D469-A472 VanDerWaalsContact O-N 3.12Å; D469-V473 PolarHBondContact O-N 2.76Å
470V55.5Low62.1Low94 Ų94111 Ų11157%0.5762%0.624SS**Hα-helixtrans-60.2-26.6-178.4-175.30000111.6V468 V473 M474V468-V470 WeakPolarHBondContact O-CG2 3.32Å; V468-V470 PolarHBondContact O-N 3.24Å; V470-V473 PolarHBondContact O-N 3.33Å; V470-M474 HydrophobicContact CG1-CE 4Å; V470-M474 HydrophobicContact CG1-CG 4.44Å; V470-M474 WeakPolarHBondContact O-CG 3.47Å; V470-M474 PolarHBondContact O-N 3.37Å
471K54.7Low60.2Low177 Ų177117.4 Ų117.477%0.7765%0.651SS**Hα-helixtrans-69.4-36.8176.6-86.8-178.8172178.60112.3D469 S475D469-K471 PolarHBondContact O-N 2.93Å; D469-K471 WeakPolarHBondContact OD1-CB 3.37Å; D469-K471 PolarHBondContact OD1-N 2.84Å; D469-K471 VanDerWaalsContact OD1-N 3.07Å; K471-S475 PolarHBondContact O-N 3.35Å; K471-S475 VanDerWaalsContact O-N 3.14Å
472A56.5Low59.3Low48 Ų48120.3 Ų120.340%0.39766%0.659SS.*Hα-helixtrans-69.2-35.3177.600000112D469 S475D469-A472 HydrophobicContact CB-CB 4.34Å; D469-A472 PolarHBondContact O-N 3.47Å; D469-A472 VanDerWaalsContact O-N 3.12Å; A472-S475 PolarHBondContact O-OG 3.39Å
473V56Low58.3Low76 Ų76123.5 Ų123.546%0.46167%0.668SS.*Hα-helixtrans-71.1-41.7177-178.80000111.4V468 D469 V470 S475 K476V468-V473 HydrophobicContact CG1-CG2 4.05Å; D469-V473 PolarHBondContact O-N 2.76Å; V470-V473 PolarHBondContact O-N 3.33Å; V473-S475 PolarHBondContact O-N 3.18Å; V473-K476 PolarHBondContact O-N 2.92Å
474M49Very low57.3Low118 Ų118126.3 Ų126.358%0.58167%0.672SS**Hα-helixtrans-66.7-35.3176.9-70-156.2-177.400112.9V470 K476 I477 D478V470-M474 HydrophobicContact CG1-CE 4Å; V470-M474 HydrophobicContact CG1-CG 4.44Å; V470-M474 WeakPolarHBondContact O-CG 3.47Å; V470-M474 PolarHBondContact O-N 3.37Å; M474-K476 PolarHBondContact O-N 3.4Å; M474-K476 VanDerWaalsContact O-N 3.14Å; M474-I477 PolarHBondContact O-N 3.21Å; M474-D478 PolarHBondContact O-N 2.84Å
475S53.3Low56.4Low68 Ų68128.4 Ų128.448%0.47667%0.668SS.*Hα-helixtrans-63.1-21176.979.90000114.7K471 A472 V473K471-S475 PolarHBondContact O-N 3.35Å; K471-S475 VanDerWaalsContact O-N 3.14Å; A472-S475 PolarHBondContact O-OG 3.39Å; V473-S475 PolarHBondContact O-N 3.18Å
476K55.1Low55.6Low167 Ų167130.6 Ų130.673%0.72667%0.668SS**Hα-helixtrans-87.3-19.6176-73.2-175179178.30113.1V473 M474V473-K476 PolarHBondContact O-N 2.92Å; M474-K476 PolarHBondContact O-N 3.4Å; M474-K476 VanDerWaalsContact O-N 3.14Å
477I55.8Low54.7Low116 Ų116135.6 Ų135.660%0.59568%0.682SS**Hα-helixtrans-81.9-34.1177.4-65.4171.9000110.2M474 R479 K480M474-I477 PolarHBondContact O-N 3.21Å; I477-R479 VanDerWaalsContact C-N 3.28Å; I477-R479 PolarHBondContact O-N 3.03Å; I477-K480 PolarHBondContact O-N 2.8Å
478D51.9Low54.1Low138 Ų138136.2 Ų136.274%0.73867%0.672SS**THydrogen-bonded Turntrans-76.6-6.4178.3-75.6-30.5000114.9M474M474-D478 PolarHBondContact O-N 2.84Å
479R54.1Low53.5Low228 Ų228138.1 Ų138.186%0.8667%0.672SS**THydrogen-bonded Turntrans-92.47.6174-77.2-174.3173.5-178.2-0.7114.2I477I477-R479 VanDerWaalsContact C-N 3.28Å; I477-R479 PolarHBondContact O-N 3.03Å
480K51.8Low53Low192 Ų192140.9 Ų140.984%0.83568%0.681SS**  trans-122.745.6175.9-88.4-167.9175-175.50112.7I477I477-K480 PolarHBondContact O-N 2.8Å
481K42Very low52.7Low269 Ų269145.2 Ų145.2100%1.1769%0.692SS**  trans-125.90156.8-85.7-171.1176.6178.70109.9

Retrieved 481 of 481 residues in 519.6 ms (Link to these results)

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