A0A087WRP8_MOUSE Loading...

Regulator of G-protein signaling 6

AlphaFold DB , UniProt , Accession A0A087WRP8, Species MOUSE (Mus musculus, Mouse), Gene Rgs6, Length 495 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
1M31.3Very low28.2Very low246 Ų246148.3 Ų148.3100%1.21287%0.873SS**  0147.50-72.6-169-154.300108.5
2A29.8Very low28.4Very low106 Ų106141.5 Ų141.588%0.87686%0.858SS**  trans73.996173.300000117
3Q26.9Very low28.7Very low199 Ų199143 Ų14393%0.9386%0.855SS**  trans-63140.5160.1-68.1164.4-37.600110.5
4G25.8Very low29.4Very low81 Ų81136.1 Ų136.184%0.83582%0.822SS**  trans-113105.6161.400000108.6G6G4-G6 PolarHBondContact O-N 3.24Å
5S28.5Very low30.1Very low115 Ų115133.3 Ų133.380%0.80480%0.8SS**  trans-70.7111.4176.347.30000110.9
6G26.3Very low31Very low71 Ų71131.4 Ų131.473%0.73279%0.792SS**  trans-94.499.7163.600000109.7G4 Q8G4-G6 PolarHBondContact O-N 3.24Å; G6-Q8 PolarHBondContact O-N 2.75Å
7D26.2Very low31.8Very low161 Ų161133.7 Ų133.786%0.86179%0.792SS**  trans-70.195.9168.9-92.4-21.9000109.4R9D7-R9 PolarHBondContact O-N 2.89Å
8Q28.9Very low32.8Very low187 Ų187130.5 Ų130.587%0.87477%0.768SS**  trans-71.6110.4157.3-74.8179.85.500107.5G6 A10G6-Q8 PolarHBondContact O-N 2.75Å; Q8-A10 VanDerWaalsContact C-N 3.3Å; Q8-A10 PolarHBondContact O-N 3.11Å
9R27.5Very low34.2Very low240 Ų240126.3 Ų126.391%0.90675%0.747SS**  trans-61.493.8165.9-79.8-178.4175176-1.6108.7D7 V11D7-R9 PolarHBondContact O-N 2.89Å; R9-V11 PolarHBondContact O-N 3.17Å; R9-V11 VanDerWaalsContact O-N 3.16Å
10A26.4Very low35.8Very low94 Ų94120.7 Ų120.778%0.77771%0.714SS**  trans-64.1110.1162.300000107.5Q8 G12Q8-A10 VanDerWaalsContact C-N 3.3Å; Q8-A10 PolarHBondContact O-N 3.11Å; A10-G12 PolarHBondContact O-N 3.34Å
11V32.4Very low37.4Very low131 Ų131116.7 Ų116.779%0.79469%0.692SS**  trans-64.2105.7167.1177.10000106R9 I13R9-V11 PolarHBondContact O-N 3.17Å; R9-V11 VanDerWaalsContact O-N 3.16Å; V11-I13 PolarHBondContact O-N 3.26Å; V11-I13 VanDerWaalsContact O-N 3.11Å
12G30.3Very low39.8Very low67 Ų67106.4 Ų106.469%0.69164%0.641SS**  trans-58.3115.6175.700000109.3A10 A14A10-G12 PolarHBondContact O-N 3.34Å; G12-A14 PolarHBondContact O-N 3.21Å
13I33.2Very low42.5Very low161 Ų161103 Ų10383%0.82661%0.608SS**  trans-67.8102.3169.8-61.3172.3000105.7V11V11-I13 PolarHBondContact O-N 3.26Å; V11-I13 VanDerWaalsContact O-N 3.11Å
14A37.8Very low45.4Very low47 Ų4798.7 Ų98.739%0.38859%0.59SS.*  trans-57.7145.9169.700000109.6G12 P16G12-A14 PolarHBondContact O-N 3.21Å; A14-P16 WeakPolarHBondContact O-CD 3.11Å
15D39.8Very low48.5Very low93 Ų9398.2 Ų98.250%0.49757%0.571SS.*  trans-56.3120.1179.7-161.5-25.9000109.8E17 E18D15-E17 PolarHBondContact O-N 3.49Å; D15-E17 PolarHBondContact OD1-N 3.42Å; D15-E18 PolarHBondContact O-N 3.14Å
16P44.5Very low51.6Low104 Ų10493.9 Ų93.968%0.67554%0.537SS*.THydrogen-bonded Turntrans-59.5-15.2-177.219.1-30.1000113.9A14A14-P16 WeakPolarHBondContact O-CD 3.11Å
17E44.5Very low54.7Low170 Ų17093 Ų9379%0.79452%0.519SS*.THydrogen-bonded Turntrans-77.1-14.2175-65.8-156.2160.200114.8D15D15-E17 PolarHBondContact O-N 3.49Å; D15-E17 PolarHBondContact OD1-N 3.42Å
18E50.8Low58.1Low76 Ų7691.7 Ų91.736%0.35551%0.506SS..THydrogen-bonded Turntrans-109.1-7-172.5-65.2-165.8154.300115.4D15D15-E18 PolarHBondContact O-N 3.14Å
19S58.4Low61.3Low51 Ų5183.6 Ų83.636%0.35747%0.468SS..SBendtrans-89.4154.3179.573.50000112.2
20S67Low64.6Low13 Ų1373.6 Ų73.69%0.09143%0.432CS..  trans-53.6137.5169.5169.80000108.4N22 M23S20-N22 PolarHBondContact O-N 3.06Å; S20-N22 PolarHBondContact OG-N 3.12Å; S20-M23 WeakPolarHBondContact O-CB 3.44Å; S20-M23 PolarHBondContact O-N 3.05Å
21P69.9Low67.9Low38 Ų3873.8 Ų73.825%0.24742%0.42CS..THydrogen-bonded Turntrans-57.6-15.4176.6-27.637.4000114K219P21-K219 HydrophobicContact CB-CB 4.14Å; P21-K219 HydrophobicContact CB-CD 3.83Å; P21-K219 HydrophobicContact CB-CG 3.82Å; P21-K219 HydrophobicContact CG-CB 3.9Å; P21-K219 HydrophobicContact CG-CG 4.09Å
22N81.1Confident71Confident29 Ų2969 Ų6916%0.15539%0.389CS..THydrogen-bonded Turntrans-95-5.5176.4-61-14.9000113.1S20 I24 V25 Y26 K219S20-N22 PolarHBondContact O-N 3.06Å; S20-N22 PolarHBondContact OG-N 3.12Å; N22-I24 VanDerWaalsContact C-N 3.32Å; N22-I24 PolarHBondContact O-N 3.45Å; N22-V25 WeakPolarHBondContact O-CB 3.45Å; N22-V25 PolarHBondContact O-N 3.44Å; N22-Y26 HydrophobicContact CB-CE1 4.42Å; N22-Y26 HydrophobicContact CB-CE2 3.96Å; N22-Y26 PolarHBondContact O-N 3.12Å; N22-Y26 VanDerWaalsContact O-N 3.14Å; N22-K219 PolarHBondContact OD1-NZ 3.21Å
23M85.6Confident74.3Confident36 Ų3665.8 Ų65.818%0.17736%0.356CS..Hα-helixtrans-58.8-41.9-174.8-172.259.769.400112.5S20 V25 Y26 C27 S121S20-M23 WeakPolarHBondContact O-CB 3.44Å; S20-M23 PolarHBondContact O-N 3.05Å; M23-V25 PolarHBondContact O-N 3.01Å; M23-Y26 WeakPolarHBondContact O-CB 3.42Å; M23-Y26 PolarHBondContact O-N 3.41Å; M23-Y26 VanDerWaalsContact O-N 3.12Å; M23-Y26 HydrophobicContact SD-CD2 4.32Å; M23-C27 PolarHBondContact O-N 3.36Å; M23-C27 PolarHBondContact O-SG 3.41Å; M23-S121 WeakPolarHBondContact CE-O 3.47Å
24I87.9Confident77.2Confident107 Ų10762 Ų6255%0.54934%0.341SS..Hα-helixtrans-59.8-32.4176.8-171.5164.3000112.6N22 K28N22-I24 VanDerWaalsContact C-N 3.32Å; N22-I24 PolarHBondContact O-N 3.45Å; I24-K28 VanDerWaalsContact O-CG 3.3Å; I24-K28 WeakPolarHBondContact O-CG 3.39Å; I24-K28 PolarHBondContact O-N 3.41Å
25V91.9Very high80Confident72 Ų7265.7 Ų65.744%0.43635%0.348SS..Hα-helixtrans-71.7-45.1176.6-179.50000109.7N22 M23 C27 K28 I29N22-V25 WeakPolarHBondContact O-CB 3.45Å; N22-V25 PolarHBondContact O-N 3.44Å; M23-V25 PolarHBondContact O-N 3.01Å; V25-C27 PolarHBondContact O-N 3.41Å; V25-K28 PolarHBondContact O-N 3.41Å; V25-I29 HydrophobicContact CG1-CD1 4.03Å; V25-I29 WeakPolarHBondContact O-CG1 3.4Å; V25-I29 PolarHBondContact O-N 3.34Å
26Y92.6Very high82.7Confident23 Ų2361.3 Ų61.39%0.0933%0.325CS..Hα-helixtrans-58.5-48.6176.2-58.4-32.3000111.9N22 M23 K28 I29 E30 Y93 P120N22-Y26 HydrophobicContact CB-CE1 4.42Å; N22-Y26 HydrophobicContact CB-CE2 3.96Å; N22-Y26 PolarHBondContact O-N 3.12Å; N22-Y26 VanDerWaalsContact O-N 3.14Å; M23-Y26 WeakPolarHBondContact O-CB 3.42Å; M23-Y26 PolarHBondContact O-N 3.41Å; M23-Y26 VanDerWaalsContact O-N 3.12Å; M23-Y26 HydrophobicContact SD-CD2 4.32Å; Y26-K28 VanDerWaalsContact C-N 3.3Å; Y26-K28 PolarHBondContact O-N 3.39Å; Y26-I29 PolarHBondContact O-N 2.97Å; Y26-I29 VanDerWaalsContact O-N 3.12Å; Y26-E30 WeakPolarHBondContact O-CB 3.3Å; Y26-E30 VanDerWaalsContact O-CG 3.24Å; Y26-E30 WeakPolarHBondContact O-CG 3.48Å; Y26-E30 PolarHBondContact O-N 3.24Å; Y26-Y93 WeakPolarHBondContact CB-OH 3.34Å; Y26-P120 HydrophobicContact CD1-CB 4.42Å; Y26-P120 HydrophobicContact CD1-CG 4Å; Y26-P120 HydrophobicContact CE1-CB 4.09Å; Y26-P120 HydrophobicContact CE1-CG 4.05Å; Y26-P120 HydrophobicContact CE2-CB 4.42Å; Y26-P120 HydrophobicContact CG-CG 4.49Å
27C93.1Very high85.1Confident54 Ų5460 Ų6037%0.36531%0.309SS..Hα-helixtrans-57.7-42.5177.3-630000112.2M23 V25 I29 E30 D31M23-C27 PolarHBondContact O-N 3.36Å; M23-C27 PolarHBondContact O-SG 3.41Å; V25-C27 PolarHBondContact O-N 3.41Å; C27-I29 PolarHBondContact O-N 2.91Å; C27-E30 PolarHBondContact O-N 3.01Å; C27-D31 VanDerWaalsContact O-CG 3.32Å; C27-D31 PolarHBondContact O-N 3.27Å
28K95.9Very high87.4Confident132 Ų13254.6 Ų54.657%0.57429%0.286SS*.Hα-helixtrans-63.9-39.7177-74.3178.3178.4-168.50112.7I24 V25 Y26 I32I24-K28 VanDerWaalsContact O-CG 3.3Å; I24-K28 WeakPolarHBondContact O-CG 3.39Å; I24-K28 PolarHBondContact O-N 3.41Å; V25-K28 PolarHBondContact O-N 3.41Å; Y26-K28 VanDerWaalsContact C-N 3.3Å; Y26-K28 PolarHBondContact O-N 3.39Å; K28-I32 WeakPolarHBondContact O-CG1 3.49Å; K28-I32 PolarHBondContact O-N 3.28Å
29I97.4Very high88.8Confident18 Ų1857.2 Ų57.29%0.09230%0.303CS..Hα-helixtrans-66.7-42.9175.6-65168.1000109.9V25 Y26 C27 D31 I32 I33 I88 Q91 Y93V25-I29 HydrophobicContact CG1-CD1 4.03Å; V25-I29 WeakPolarHBondContact O-CG1 3.4Å; V25-I29 PolarHBondContact O-N 3.34Å; Y26-I29 PolarHBondContact O-N 2.97Å; Y26-I29 VanDerWaalsContact O-N 3.12Å; C27-I29 PolarHBondContact O-N 2.91Å; I29-D31 VanDerWaalsContact C-N 3.32Å; I29-D31 PolarHBondContact O-N 3.39Å; I29-I32 WeakPolarHBondContact O-CA 3.42Å; I29-I32 WeakPolarHBondContact O-CB 3.3Å; I29-I32 PolarHBondContact O-N 3.43Å; I29-I33 HydrophobicContact CG2-CG1 4.06Å; I29-I33 VanDerWaalsContact O-CG1 3.27Å; I29-I33 WeakPolarHBondContact O-CG1 3.11Å; I29-I33 PolarHBondContact O-N 3.05Å; I29-I88 HydrophobicContact CG2-CB 4.46Å; I29-I88 HydrophobicContact CG2-CG1 4Å; I29-I88 HydrophobicContact CG2-CG2 4.02Å; I29-Q91 HydrophobicContact CD1-CG 4.21Å; I29-Y93 HydrophobicContact CB-CD2 4.28Å; I29-Y93 HydrophobicContact CB-CE2 3.99Å; I29-Y93 HydrophobicContact CD1-CE2 4.17Å; I29-Y93 HydrophobicContact CG2-CD1 4.3Å; I29-Y93 HydrophobicContact CG2-CD2 3.33Å; I29-Y93 HydrophobicContact CG2-CE1 4.49Å; I29-Y93 HydrophobicContact CG2-CE2 3.53Å; I29-Y93 HydrophobicContact CG2-CG 3.73Å
30E96.7Very high89.9Confident29 Ų2964.1 Ų64.114%0.13633%0.326CS..Hα-helixtrans-62.8-36.9179.4-71.9171.1-162.600112.8Y26 C27 I32 I33 T34 Y93 W119 S121Y26-E30 WeakPolarHBondContact O-CB 3.3Å; Y26-E30 VanDerWaalsContact O-CG 3.24Å; Y26-E30 WeakPolarHBondContact O-CG 3.48Å; Y26-E30 PolarHBondContact O-N 3.24Å; C27-E30 PolarHBondContact O-N 3.01Å; E30-I32 VanDerWaalsContact C-N 3.33Å; E30-I33 PolarHBondContact O-N 3.24Å; E30-T34 WeakPolarHBondContact O-CB 3.26Å; E30-T34 PolarHBondContact O-N 3.2Å; E30-T34 PolarHBondContact O-OG1 3.31Å; E30-Y93 HydrophobicContact CG-CD1 4.25Å; E30-Y93 HydrophobicContact CG-CE1 3.31Å; E30-Y93 PolarHBondContact OE1-OH 3.37Å; E30-W119 HydrophobicContact CB-CE3 4.31Å; E30-W119 HydrophobicContact CB-CH2 4.29Å; E30-W119 HydrophobicContact CB-CZ3 3.8Å; E30-W119 HydrophobicContact CG-CD2 4.12Å; E30-W119 HydrophobicContact CG-CE3 3.43Å; E30-W119 VanDerWaalsContact CG-CE3 3.43Å; E30-W119 HydrophobicContact CG-CH2 4.11Å; E30-W119 HydrophobicContact CG-CZ3 3.43Å; E30-W119 VanDerWaalsContact CG-CZ3 3.43Å; E30-S121 WeakPolarHBondContact OE1-CB 3.38Å; E30-S121 PolarHBondContact OE1-OG 3.12Å
31D96.4Very high90.4Very high98 Ų9867.9 Ų67.952%0.52435%0.349SS..Hα-helixtrans-61.8-41.6171.9-73.1-20.1000111.5C27 I29 K35C27-D31 VanDerWaalsContact O-CG 3.32Å; C27-D31 PolarHBondContact O-N 3.27Å; I29-D31 VanDerWaalsContact C-N 3.32Å; I29-D31 PolarHBondContact O-N 3.39Å; D31-K35 WeakPolarHBondContact O-CG 3.36Å; D31-K35 PolarHBondContact O-N 2.95Å; D31-K35 VanDerWaalsContact O-N 3.15Å
32I97.4Very high91.2Very high30 Ų3068.4 Ų68.415%0.15436%0.361CS..Hα-helixtrans-63.8-48.4174.9-66.3167.5000110K28 I29 E30 T34 K35 M36 W68 L69 L73 I88K28-I32 WeakPolarHBondContact O-CG1 3.49Å; K28-I32 PolarHBondContact O-N 3.28Å; I29-I32 WeakPolarHBondContact O-CA 3.42Å; I29-I32 WeakPolarHBondContact O-CB 3.3Å; I29-I32 PolarHBondContact O-N 3.43Å; E30-I32 VanDerWaalsContact C-N 3.33Å; I32-T34 VanDerWaalsContact C-N 3.28Å; I32-T34 PolarHBondContact O-N 3.41Å; I32-K35 PolarHBondContact O-N 3.49Å; I32-M36 HydrophobicContact CG2-CE 3.8Å; I32-M36 HydrophobicContact CG2-CG 4.36Å; I32-M36 HydrophobicContact CG2-SD 4.19Å; I32-M36 WeakPolarHBondContact O-CG 3.43Å; I32-M36 PolarHBondContact O-N 3.44Å; I32-W68 HydrophobicContact CG2-CH2 4.49Å; I32-W68 HydrophobicContact CG2-CZ3 4.01Å; I32-L69 HydrophobicContact CG2-CD2 4.26Å; I32-L73 HydrophobicContact CD1-CD1 4.25Å; I32-I88 HydrophobicContact CG2-CD1 4.27Å
33I97.8Very high91.8Very high0 Ų067.7 Ų67.70%036%0.361CS..Hα-helixtrans-62-36.6-179.5-68.3-68.1000112.1I29 E30 M36 Q37 I88 Y93 I94 F113 W119I29-I33 HydrophobicContact CG2-CG1 4.06Å; I29-I33 VanDerWaalsContact O-CG1 3.27Å; I29-I33 WeakPolarHBondContact O-CG1 3.11Å; I29-I33 PolarHBondContact O-N 3.05Å; E30-I33 PolarHBondContact O-N 3.24Å; I33-M36 HydrophobicContact CD1-SD 4.21Å; I33-M36 PolarHBondContact O-N 2.85Å; I33-Q37 WeakPolarHBondContact O-CG 3.45Å; I33-Q37 PolarHBondContact O-N 2.92Å; I33-Q37 PolarHBondContact O-NE2 3.25Å; I33-I88 HydrophobicContact CD1-CG2 3.74Å; I33-I88 HydrophobicContact CG1-CG2 4.4Å; I33-Y93 HydrophobicContact CG1-CD1 4.19Å; I33-Y93 HydrophobicContact CG1-CG 4.16Å; I33-I94 HydrophobicContact CD1-CD1 3.65Å; I33-I94 HydrophobicContact CD1-CG1 3.59Å; I33-F113 HydrophobicContact CD1-CD1 4.26Å; I33-F113 HydrophobicContact CD1-CE1 4.29Å; I33-F113 HydrophobicContact CG2-CD1 4.35Å; I33-W119 HydrophobicContact CG2-CH2 4.38Å; I33-W119 HydrophobicContact CG2-CZ2 3.82Å
34T95.5Very high92.3Very high82 Ų8266 Ų6650%0.50335%0.353SS..Hα-helixtrans-66-44.2176.2-59.40000110.7E30 I32 Q37 D38E30-T34 WeakPolarHBondContact O-CB 3.26Å; E30-T34 PolarHBondContact O-N 3.2Å; E30-T34 PolarHBondContact O-OG1 3.31Å; I32-T34 VanDerWaalsContact C-N 3.28Å; I32-T34 PolarHBondContact O-N 3.41Å; T34-Q37 PolarHBondContact O-N 2.79Å; T34-D38 PolarHBondContact O-N 3.49Å
35K96.3Very high92.5Very high125 Ų12563.4 Ų63.454%0.54334%0.342SS..Hα-helixtrans-66.3-37.4175.5-68.9172.6-176.4177.60112.6D31 I32 Q37 D38 W68D31-K35 WeakPolarHBondContact O-CG 3.36Å; D31-K35 PolarHBondContact O-N 2.95Å; D31-K35 VanDerWaalsContact O-N 3.15Å; I32-K35 PolarHBondContact O-N 3.49Å; K35-Q37 PolarHBondContact O-N 2.94Å; K35-D38 PolarHBondContact O-N 3.45Å; K35-W68 HydrophobicContact CB-CH2 3.73Å; K35-W68 HydrophobicContact CB-CZ2 3.77Å
36M97.1Very high92.6Very high0 Ų063.4 Ų63.40%034%0.339CS..Hα-helixtrans-61.8-30.7175.6-77-179.3169.300112.7I32 I33 G43 V44 I65 W68 L69 I94 F113I32-M36 HydrophobicContact CG2-CE 3.8Å; I32-M36 HydrophobicContact CG2-CG 4.36Å; I32-M36 HydrophobicContact CG2-SD 4.19Å; I32-M36 WeakPolarHBondContact O-CG 3.43Å; I32-M36 PolarHBondContact O-N 3.44Å; I33-M36 HydrophobicContact CD1-SD 4.21Å; I33-M36 PolarHBondContact O-N 2.85Å; M36-G43 CarbonylContact O-C 3.51Å; M36-G43 VanDerWaalsContact O-CA 3.32Å; M36-G43 WeakPolarHBondContact O-CA 3.34Å; M36-V44 HydrophobicContact CB-CG2 4.1Å; M36-V44 HydrophobicContact CG-CG2 4.11Å; M36-V44 PolarHBondContact O-N 3.42Å; M36-I65 HydrophobicContact CE-CG2 3.96Å; M36-W68 HydrophobicContact CE-CD2 4.49Å; M36-W68 HydrophobicContact CE-CE3 3.49Å; M36-W68 VanDerWaalsContact CE-CE3 3.49Å; M36-W68 HydrophobicContact CE-CZ3 3.67Å; M36-W68 HydrophobicContact CG-CD2 3.84Å; M36-W68 HydrophobicContact CG-CE3 3.48Å; M36-W68 VanDerWaalsContact CG-CE3 3.48Å; M36-W68 HydrophobicContact CG-CH2 3.68Å; M36-W68 HydrophobicContact CG-CZ2 4.01Å; M36-W68 HydrophobicContact CG-CZ3 3.41Å; M36-W68 VanDerWaalsContact CG-CZ3 3.41Å; M36-W68 HydrophobicContact SD-CE3 4.37Å; M36-W68 HydrophobicContact SD-CZ3 4.4Å; M36-L69 HydrophobicContact CE-CD1 4.13Å; M36-L69 HydrophobicContact CE-CD2 3.27Å; M36-L69 HydrophobicContact CE-CG 3.49Å; M36-L69 VanDerWaalsContact CE-CG 3.49Å; M36-I94 HydrophobicContact SD-CD1 3.96Å; M36-F113 HydrophobicContact CB-CE1 3.96Å; M36-F113 HydrophobicContact CB-CZ 3.91Å; M36-F113 HydrophobicContact SD-CE1 4.15Å
37Q94.5Very high92.6Very high76 Ų7668.9 Ų68.936%0.35536%0.36SS..THydrogen-bonded Turntrans-93.40.5-179.6-71.3176.492.500113.5I33 T34 K35 D39 F113I33-Q37 WeakPolarHBondContact O-CG 3.45Å; I33-Q37 PolarHBondContact O-N 2.92Å; I33-Q37 PolarHBondContact O-NE2 3.25Å; T34-Q37 PolarHBondContact O-N 2.79Å; K35-Q37 PolarHBondContact O-N 2.94Å; Q37-D39 PolarHBondContact O-N 3.41Å; Q37-F113 HydrophobicContact CG-CD1 4.01Å; Q37-F113 HydrophobicContact CG-CD2 3.6Å; Q37-F113 HydrophobicContact CG-CE1 4.08Å; Q37-F113 HydrophobicContact CG-CE2 3.67Å; Q37-F113 HydrophobicContact CG-CG 3.78Å; Q37-F113 HydrophobicContact CG-CZ 3.93Å
38D91.7Very high92.6Very high57 Ų5769.7 Ų69.731%0.30536%0.363SS..  trans-86.7100.5-178.7-178.312.6000111.7T34 K35 K40 T41 G43T34-D38 PolarHBondContact O-N 3.49Å; K35-D38 PolarHBondContact O-N 3.45Å; D38-K40 PolarHBondContact O-N 3.29Å; D38-K40 VanDerWaalsContact O-N 3.14Å; D38-K40 WeakPolarHBondContact OD1-CB 3.47Å; D38-K40 PolarHBondContact OD1-N 3.24Å; D38-T41 WeakPolarHBondContact CB-OG1 3.33Å; D38-T41 PolarHBondContact O-N 3.15Å; D38-T41 WeakPolarHBondContact OD2-CB 3.3Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.4Å; D38-T41 PolarHBondContact OD2-OG1 3.49Å; D38-G43 WeakPolarHBondContact O-CA 3.35Å; D38-G43 PolarHBondContact O-N 3.1Å
39D80.6Confident92.3Very high131 Ų13165.6 Ų65.670%0.70135%0.349SS*.THydrogen-bonded Turntrans-59.8-23177.9-68.3-22.9000113.2Q37Q37-D39 PolarHBondContact O-N 3.41Å
40K81.6Confident91.9Very high197 Ų19772.3 Ų72.386%0.85738%0.378SS*.THydrogen-bonded Turntrans-81.2-30.4-177.1-63.6179.9179.91760113.1D38D38-K40 PolarHBondContact O-N 3.29Å; D38-K40 VanDerWaalsContact O-N 3.14Å; D38-K40 WeakPolarHBondContact OD1-CB 3.47Å; D38-K40 PolarHBondContact OD1-N 3.24Å
41T77.8Confident91.3Very high91 Ų9174.2 Ų74.256%0.55839%0.394SS*.THydrogen-bonded Turntrans-99.710.4-176.753.50000112.9D38D38-T41 WeakPolarHBondContact CB-OG1 3.33Å; D38-T41 PolarHBondContact O-N 3.15Å; D38-T41 WeakPolarHBondContact OD2-CB 3.3Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.4Å; D38-T41 PolarHBondContact OD2-OG1 3.49Å
42G86.6Confident90.6Very high49 Ų4979.4 Ų79.451%0.50541%0.412SS..THydrogen-bonded Turntrans79.843.7-178.900000112.5W68G42-W68 PolarHBondContact O-NE1 3.38Å; G42-W68 VanDerWaalsContact O-NE1 3.12Å
43G93.1Very high89.6Confident15 Ų1585.4 Ų85.416%0.15544%0.444CS..  trans-55.2177168.500000114M36 D38M36-G43 CarbonylContact O-C 3.51Å; M36-G43 VanDerWaalsContact O-CA 3.32Å; M36-G43 WeakPolarHBondContact O-CA 3.34Å; D38-G43 WeakPolarHBondContact O-CA 3.35Å; D38-G43 PolarHBondContact O-N 3.1Å
44V95.9Very high88.8Confident1 Ų187.8 Ų87.81%0.00646%0.461CS..  trans-69.7130178.6-175.70000109.1M36 I46 V60 D64 I65 W68 F113M36-V44 HydrophobicContact CB-CG2 4.1Å; M36-V44 HydrophobicContact CG-CG2 4.11Å; M36-V44 PolarHBondContact O-N 3.42Å; V44-I46 PolarHBondContact O-N 3.06Å; V44-V60 HydrophobicContact CB-CG1 4.35Å; V44-V60 HydrophobicContact CG1-CB 3.77Å; V44-V60 HydrophobicContact CG1-CG1 3.67Å; V44-V60 HydrophobicContact CG1-CG2 4.48Å; V44-D64 HydrophobicContact CG1-CB 3.8Å; V44-I65 HydrophobicContact CG1-CG1 4.06Å; V44-W68 HydrophobicContact CG2-CB 3.68Å; V44-W68 HydrophobicContact CG2-CD2 4.15Å; V44-W68 HydrophobicContact CG2-CG 3.6Å; V44-F113 HydrophobicContact CB-CZ 4.47Å
45P93Very high88.3Confident51 Ų5190.2 Ų90.233%0.33146%0.464SS..  trans-67.8106.8-17527.1-35.7000112.2D64P45-D64 HydrophobicContact CG-CB 4.24Å
46I94.3Very high87.9Confident72 Ų7286.2 Ų86.237%0.36945%0.449SS..  trans-79.7121.7175.6-56.8175.3000109.8V44 V60 F113V44-I46 PolarHBondContact O-N 3.06Å; I46-V60 HydrophobicContact CB-CG1 4.34Å; I46-V60 HydrophobicContact CG1-CG1 3.76Å; I46-F113 HydrophobicContact CD1-CD2 4.13Å; I46-F113 HydrophobicContact CD1-CE2 4.03Å; I46-F113 HydrophobicContact CG1-CE2 4.13Å
47R91.9Very high87.6Confident138 Ų13887.2 Ų87.252%0.52146%0.455SS..EExtended strand (participates in β ladder)trans-123.2157.4-173.3-61.1179.4-171.4167.88.7112.7S58 V59R47-S58 PolarHBondContact O-N 3.16Å; R47-S58 VanDerWaalsContact O-N 3.12Å; R47-V59 PolarHBondContact N-O 2.86Å; R47-V59 WeakPolarHBondContact O-CG2 3.36Å; R47-V59 PolarHBondContact O-N 3.39Å
48T92.6Very high87.5Confident71 Ų7186.5 Ų86.544%0.43646%0.459SS..EExtended strand (participates in β ladder)trans-105.3112164.4-660000109.1K55 I56 P57T48-K55 HydrophobicContact CG2-CD 4.34Å; T48-K55 HydrophobicContact CG2-CG 3.83Å; T48-I56 CarbonylContact C-O 3.57Å; T48-I56 WeakPolarHBondContact CA-O 3.49Å; T48-P57 HydrophobicContact CG2-CB 4.25Å; T48-P57 WeakPolarHBondContact OG1-CA 3.28Å
49V90Very high87.6Confident47 Ų4783.9 Ų83.929%0.28545%0.445SS..EExtended strand (participates in β ladder)trans-89.7127.9-179-177.30000109.4K55 I56 V59 F110V49-K55 WeakPolarHBondContact O-CA 3.18Å; V49-I56 PolarHBondContact N-O 3.47Å; V49-I56 PolarHBondContact O-N 3.07Å; V49-V59 HydrophobicContact CG2-CG2 3.77Å; V49-F110 HydrophobicContact CB-CZ 4.32Å; V49-F110 HydrophobicContact CG1-CE2 4.45Å; V49-F110 HydrophobicContact CG1-CZ 4.03Å; V49-F110 HydrophobicContact CG2-CE1 3.75Å; V49-F110 HydrophobicContact CG2-CZ 3.79Å
50K89Confident88.4Confident159 Ų15977.8 Ų77.869%0.69141%0.412SS*.EExtended strand (participates in β ladder)trans-112.3129.1176.1-67.9178.6-176.5174.90109.1K55K50-K55 HydrophobicContact CG-CD 4.42Å; K50-K55 HydrophobicContact CG-CG 4.04Å
51S84.6Confident89.2Confident69 Ų6969.6 Ų69.648%0.48338%0.379SS..  trans-123.3172.4168.9740000109.5L53 S54S51-L53 PolarHBondContact O-N 3.14Å; S51-S54 PolarHBondContact N-O 3.39Å; S51-S54 PolarHBondContact O-N 3.18Å; S51-S54 PolarHBondContact OG-N 3.22Å; S51-S54 PolarHBondContact OG-O 3.08Å; S51-S54 VanDerWaalsContact OG-O 3.13Å; S51-S54 PolarHBondContact OG-OG 2.74Å
52F80.9Confident90.1Very high206 Ų20665.3 Ų65.390%0.90435%0.352SS*.SBendtrans-56.6-34.4178.2-176.6-107.3000113.1
53L77.3Confident90.7Very high157 Ų15765.4 Ų65.482%0.82234%0.343SS*.SBendtrans-105.8-14.2-175.3-64.2174.6000114S51S51-L53 PolarHBondContact O-N 3.14Å
54S79.9Confident90.9Very high50 Ų5066.6 Ų66.635%0.3535%0.346SS..  trans-151.4144.8-171.872.20000113.9S51S51-S54 PolarHBondContact N-O 3.39Å; S51-S54 PolarHBondContact O-N 3.18Å; S51-S54 PolarHBondContact OG-N 3.22Å; S51-S54 PolarHBondContact OG-O 3.08Å; S51-S54 VanDerWaalsContact OG-O 3.13Å; S51-S54 PolarHBondContact OG-OG 2.74Å
55K86.5Confident91Very high132 Ų13266.6 Ų66.657%0.57435%0.346SS*.EExtended strand (participates in β ladder)trans-115.2117.9166.1179.8179.5178.4-169.30107.7T48 V49 K50T48-K55 HydrophobicContact CG2-CD 4.34Å; T48-K55 HydrophobicContact CG2-CG 3.83Å; V49-K55 WeakPolarHBondContact O-CA 3.18Å; K50-K55 HydrophobicContact CG-CD 4.42Å; K50-K55 HydrophobicContact CG-CG 4.04Å
56I87Confident91.3Very high42 Ų4264.1 Ų64.122%0.21533%0.33CS..EExtended strand (participates in β ladder)trans-114.3101.9-177.7-52.2178.5000107.8T48 V49 V59 I97T48-I56 CarbonylContact C-O 3.57Å; T48-I56 WeakPolarHBondContact CA-O 3.49Å; V49-I56 PolarHBondContact N-O 3.47Å; V49-I56 PolarHBondContact O-N 3.07Å; I56-V59 HydrophobicContact CG2-CG1 3.6Å; I56-V59 HydrophobicContact CG2-CG2 4.5Å; I56-I97 HydrophobicContact CD1-CD1 4.13Å; I56-I97 HydrophobicContact CG2-CD1 3.79Å
57P91.6Very high91.4Very high21 Ų2165.6 Ų65.614%0.13634%0.335CS..EExtended strand (participates in β ladder)trans-80.9161.8-17935.2-38.4000112.1T48 V59 R112 T187 I191T48-P57 HydrophobicContact CG2-CB 4.25Å; T48-P57 WeakPolarHBondContact OG1-CA 3.28Å; P57-V59 PolarHBondContact O-N 3.43Å; P57-R112 PolarHBondContact O-NH1 3.5Å; P57-R112 PolarHBondContact O-NH2 2.8Å; P57-T187 HydrophobicContact CB-CG2 4.43Å; P57-T187 HydrophobicContact CG-CG2 3.57Å; P57-I191 HydrophobicContact CG-CD1 4.05Å; P57-I191 HydrophobicContact CG-CG1 4.45Å
58S91.3Very high91.7Very high61 Ų6160 Ų6043%0.42731%0.314SS..EExtended strand (participates in β ladder)trans50.657167.9-460000114.2R47 R112R47-S58 PolarHBondContact O-N 3.16Å; R47-S58 VanDerWaalsContact O-N 3.12Å; S58-R112 PolarHBondContact O-NH1 3.3Å; S58-R112 VanDerWaalsContact O-NH1 3.08Å
59V94.9Very high92Very high2 Ų256.6 Ų56.61%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-122.6153.1175.8-680000111.2R47 V49 I56 P57 I97 F110 Y111 R112R47-V59 PolarHBondContact N-O 2.86Å; R47-V59 WeakPolarHBondContact O-CG2 3.36Å; R47-V59 PolarHBondContact O-N 3.39Å; V49-V59 HydrophobicContact CG2-CG2 3.77Å; I56-V59 HydrophobicContact CG2-CG1 3.6Å; I56-V59 HydrophobicContact CG2-CG2 4.5Å; P57-V59 PolarHBondContact O-N 3.43Å; V59-I97 HydrophobicContact CG1-CD1 4.2Å; V59-I97 HydrophobicContact CG1-CG2 4.18Å; V59-F110 HydrophobicContact CB-CB 4.17Å; V59-F110 HydrophobicContact CB-CD1 4.21Å; V59-F110 HydrophobicContact CB-CG 4.39Å; V59-F110 HydrophobicContact CG1-CB 4.27Å; V59-F110 HydrophobicContact CG2-CD1 3.88Å; V59-F110 HydrophobicContact CG2-CE1 4.37Å; V59-F110 HydrophobicContact CG2-CG 4.27Å; V59-Y111 WeakPolarHBondContact CA-O 3.45Å; V59-R112 HydrophobicContact CG1-CG 4.19Å
60V96.9Very high92.4Very high2 Ų255.9 Ų55.91%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-122.3154.4171.8-64.90000108.8V44 I46 I65 F110 Y111 F113V44-V60 HydrophobicContact CB-CG1 4.35Å; V44-V60 HydrophobicContact CG1-CB 3.77Å; V44-V60 HydrophobicContact CG1-CG1 3.67Å; V44-V60 HydrophobicContact CG1-CG2 4.48Å; I46-V60 HydrophobicContact CB-CG1 4.34Å; I46-V60 HydrophobicContact CG1-CG1 3.76Å; V60-I65 HydrophobicContact CB-CG1 4.46Å; V60-I65 HydrophobicContact CG2-CD1 3.55Å; V60-I65 HydrophobicContact CG2-CG1 3.92Å; V60-F110 WeakPolarHBondContact O-CA 3.2Å; V60-Y111 PolarHBondContact N-O 3.05Å; V60-Y111 PolarHBondContact O-N 3.29Å; V60-F113 HydrophobicContact CG1-CE2 3.96Å; V60-F113 HydrophobicContact CG2-CE2 4.41Å
61T97.5Very high92.8Very high26 Ų2656.5 Ų56.516%0.1629%0.29CS..EExtended strand (participates in β ladder)trans-88.9153.6175.569.90000110.9T63 D64 I65 T109 F110T61-T63 VanDerWaalsContact C-N 3.32Å; T61-T63 PolarHBondContact O-N 3.17Å; T61-D64 PolarHBondContact O-N 3.23Å; T61-D64 WeakPolarHBondContact OG1-CB 3.48Å; T61-D64 PolarHBondContact OG1-N 3.26Å; T61-D64 VanDerWaalsContact OG1-N 3.08Å; T61-D64 PolarHBondContact OG1-OD2 3.25Å; T61-I65 WeakPolarHBondContact O-CG1 3.38Å; T61-I65 PolarHBondContact O-N 2.87Å; T61-T109 CarbonylContact C-O 3.49Å; T61-T109 WeakPolarHBondContact CA-O 3.37Å; T61-F110 HydrophobicContact CG2-CD1 4.2Å; T61-F110 HydrophobicContact CG2-CE1 3.97Å
62G97.9Very high93.3Very high0 Ų056.6 Ų56.60%029%0.285CS..Hα-helixtrans-57.9-45.5174.200000111.9D64 I65 V66 K105 D107 T109G62-D64 PolarHBondContact O-N 3.07Å; G62-I65 PolarHBondContact O-N 3.27Å; G62-I65 VanDerWaalsContact O-N 3.16Å; G62-V66 WeakPolarHBondContact O-CG2 3.5Å; G62-V66 PolarHBondContact O-N 2.83Å; G62-K105 CarbonylContact C-O 3.57Å; G62-K105 VanDerWaalsContact CA-O 3.24Å; G62-K105 WeakPolarHBondContact CA-O 3.2Å; G62-D107 PolarHBondContact N-O 2.89Å; G62-T109 PolarHBondContact N-O 3.31Å
63T98Very high94.1Very high51 Ų5150 Ų5031%0.31326%0.259SS..Hα-helixtrans-57.9-43.8174.6-60.10000113.1T61 I65 V66 Q67 D106 D107T61-T63 VanDerWaalsContact C-N 3.32Å; T61-T63 PolarHBondContact O-N 3.17Å; T63-I65 VanDerWaalsContact C-N 3.3Å; T63-I65 PolarHBondContact O-N 3.47Å; T63-V66 PolarHBondContact O-N 3.23Å; T63-Q67 HydrophobicContact CG2-CG 4.14Å; T63-Q67 WeakPolarHBondContact O-CB 3.41Å; T63-Q67 VanDerWaalsContact O-CG 3.25Å; T63-Q67 WeakPolarHBondContact O-CG 3.32Å; T63-Q67 PolarHBondContact O-N 2.89Å; T63-D106 VanDerWaalsContact CA-OD1 3.23Å; T63-D106 WeakPolarHBondContact CA-OD1 3.45Å; T63-D106 WeakPolarHBondContact CB-OD1 3.49Å; T63-D106 PolarHBondContact OG1-OD1 3.47Å; T63-D107 PolarHBondContact N-O 3.49Å; T63-D107 VanDerWaalsContact N-O 3.09Å; T63-D107 WeakPolarHBondContact OG1-CA 3.27Å; T63-D107 PolarHBondContact OG1-N 3.41Å; T63-D107 PolarHBondContact OG1-O 3.36Å
64D97.8Very high95Very high41 Ų4147.6 Ų47.622%0.21926%0.255CS..Hα-helixtrans-62-38.4178-68-44.5000111.7V44 P45 T61 G62 W68V44-D64 HydrophobicContact CG1-CB 3.8Å; P45-D64 HydrophobicContact CG-CB 4.24Å; T61-D64 PolarHBondContact O-N 3.23Å; T61-D64 WeakPolarHBondContact OG1-CB 3.48Å; T61-D64 PolarHBondContact OG1-N 3.26Å; T61-D64 VanDerWaalsContact OG1-N 3.08Å; T61-D64 PolarHBondContact OG1-OD2 3.25Å; G62-D64 PolarHBondContact O-N 3.07Å; D64-W68 VanDerWaalsContact O-CB 3.28Å; D64-W68 WeakPolarHBondContact O-CB 3.4Å; D64-W68 PolarHBondContact O-N 3.18Å
65I98.2Very high95.9Very high0 Ų046 Ų460%024%0.242CC..Hα-helixtrans-67.4-47.3177-64.4162.8000110.9M36 V44 V60 T61 G62 T63 W68 L69 I94 M104 Y111M36-I65 HydrophobicContact CE-CG2 3.96Å; V44-I65 HydrophobicContact CG1-CG1 4.06Å; V60-I65 HydrophobicContact CB-CG1 4.46Å; V60-I65 HydrophobicContact CG2-CD1 3.55Å; V60-I65 HydrophobicContact CG2-CG1 3.92Å; T61-I65 WeakPolarHBondContact O-CG1 3.38Å; T61-I65 PolarHBondContact O-N 2.87Å; G62-I65 PolarHBondContact O-N 3.27Å; G62-I65 VanDerWaalsContact O-N 3.16Å; T63-I65 VanDerWaalsContact C-N 3.3Å; T63-I65 PolarHBondContact O-N 3.47Å; I65-W68 PolarHBondContact O-N 2.84Å; I65-L69 HydrophobicContact CG2-CD1 4.07Å; I65-L69 HydrophobicContact CG2-CG 4.45Å; I65-L69 WeakPolarHBondContact O-CG 3.22Å; I65-L69 PolarHBondContact O-N 3.01Å; I65-I94 HydrophobicContact CD1-CD1 4.4Å; I65-I94 HydrophobicContact CD1-CG2 4.06Å; I65-I94 HydrophobicContact CG2-CD1 4.49Å; I65-M104 HydrophobicContact CB-CE 4.43Å; I65-M104 HydrophobicContact CB-SD 4.34Å; I65-M104 HydrophobicContact CD1-CE 3.93Å; I65-M104 HydrophobicContact CD1-SD 3.93Å; I65-M104 HydrophobicContact CG2-CE 3.82Å; I65-M104 HydrophobicContact CG2-SD 4.3Å; I65-Y111 HydrophobicContact CD1-CD2 4.26Å; I65-Y111 HydrophobicContact CD1-CG 4.13Å
66V98.4Very high96.4Very high0 Ų048.5 Ų48.50%026%0.256CS..Hα-helixtrans-62.1-46.6-178.5172.30000110.6G62 T63 W68 L69 M70 A81 I82 M104 D106G62-V66 WeakPolarHBondContact O-CG2 3.5Å; G62-V66 PolarHBondContact O-N 2.83Å; T63-V66 PolarHBondContact O-N 3.23Å; V66-W68 VanDerWaalsContact C-N 3.3Å; V66-W68 PolarHBondContact O-N 3.37Å; V66-L69 WeakPolarHBondContact O-CB 3.47Å; V66-L69 PolarHBondContact O-N 3.34Å; V66-M70 HydrophobicContact CG1-SD 4.35Å; V66-M70 WeakPolarHBondContact O-CG 3.5Å; V66-M70 PolarHBondContact O-N 3.14Å; V66-A81 HydrophobicContact CG1-CB 4.17Å; V66-I82 HydrophobicContact CG1-CG1 4.03Å; V66-I82 HydrophobicContact CG2-CG1 3.89Å; V66-M104 HydrophobicContact CG2-CG 4.12Å; V66-D106 HydrophobicContact CG1-CB 4.5Å; V66-D106 HydrophobicContact CG2-CB 4.17Å
67Q97.9Very high96.9Very high102 Ų10250.4 Ų50.448%0.47727%0.267SS..Hα-helixtrans-63-37.7176.8-67.9-58.5-43.200112.2T63 K71T63-Q67 HydrophobicContact CG2-CG 4.14Å; T63-Q67 WeakPolarHBondContact O-CB 3.41Å; T63-Q67 VanDerWaalsContact O-CG 3.25Å; T63-Q67 WeakPolarHBondContact O-CG 3.32Å; T63-Q67 PolarHBondContact O-N 2.89Å; Q67-K71 WeakPolarHBondContact O-CB 3.48Å; Q67-K71 PolarHBondContact O-N 2.71Å; Q67-K71 VanDerWaalsContact O-N 3.08Å
68W97.9Very high97.2Very high20 Ų2052 Ų528%0.07628%0.277CS..Hα-helixtrans-64.4-43174.7-172.299000111.7I32 K35 M36 G42 V44 D64 I65 V66 K71 N72I32-W68 HydrophobicContact CG2-CH2 4.49Å; I32-W68 HydrophobicContact CG2-CZ3 4.01Å; K35-W68 HydrophobicContact CB-CH2 3.73Å; K35-W68 HydrophobicContact CB-CZ2 3.77Å; M36-W68 HydrophobicContact CE-CD2 4.49Å; M36-W68 HydrophobicContact CE-CE3 3.49Å; M36-W68 VanDerWaalsContact CE-CE3 3.49Å; M36-W68 HydrophobicContact CE-CZ3 3.67Å; M36-W68 HydrophobicContact CG-CD2 3.84Å; M36-W68 HydrophobicContact CG-CE3 3.48Å; M36-W68 VanDerWaalsContact CG-CE3 3.48Å; M36-W68 HydrophobicContact CG-CH2 3.68Å; M36-W68 HydrophobicContact CG-CZ2 4.01Å; M36-W68 HydrophobicContact CG-CZ3 3.41Å; M36-W68 VanDerWaalsContact CG-CZ3 3.41Å; M36-W68 HydrophobicContact SD-CE3 4.37Å; M36-W68 HydrophobicContact SD-CZ3 4.4Å; G42-W68 PolarHBondContact O-NE1 3.38Å; G42-W68 VanDerWaalsContact O-NE1 3.12Å; V44-W68 HydrophobicContact CG2-CB 3.68Å; V44-W68 HydrophobicContact CG2-CD2 4.15Å; V44-W68 HydrophobicContact CG2-CG 3.6Å; D64-W68 VanDerWaalsContact O-CB 3.28Å; D64-W68 WeakPolarHBondContact O-CB 3.4Å; D64-W68 PolarHBondContact O-N 3.18Å; I65-W68 PolarHBondContact O-N 2.84Å; V66-W68 VanDerWaalsContact C-N 3.3Å; V66-W68 PolarHBondContact O-N 3.37Å; W68-K71 PolarHBondContact O-N 3.2Å; W68-N72 HydrophobicContact CD2-CB 4.24Å; W68-N72 VanDerWaalsContact CE2-ND2 3.27Å; W68-N72 HydrophobicContact CE3-CB 4.21Å; W68-N72 HydrophobicContact CH2-CB 4Å; W68-N72 HydrophobicContact CZ2-CB 4.03Å; W68-N72 HydrophobicContact CZ3-CB 4.08Å; W68-N72 PolarHBondContact NE1-ND2 2.86Å; W68-N72 WeakPolarHBondContact O-CB 3.32Å; W68-N72 PolarHBondContact O-N 3.41Å; W68-N72 PolarHBondContact O-ND2 2.91Å
69L98.3Very high97.5Very high0 Ų053.8 Ų53.80%029%0.285CS..Hα-helixtrans-61.2-50.1176.9-76.5169.5000111.3I32 M36 I65 V66 K71 N72 L73 A81 L84 I88I32-L69 HydrophobicContact CG2-CD2 4.26Å; M36-L69 HydrophobicContact CE-CD1 4.13Å; M36-L69 HydrophobicContact CE-CD2 3.27Å; M36-L69 HydrophobicContact CE-CG 3.49Å; M36-L69 VanDerWaalsContact CE-CG 3.49Å; I65-L69 HydrophobicContact CG2-CD1 4.07Å; I65-L69 HydrophobicContact CG2-CG 4.45Å; I65-L69 WeakPolarHBondContact O-CG 3.22Å; I65-L69 PolarHBondContact O-N 3.01Å; V66-L69 WeakPolarHBondContact O-CB 3.47Å; V66-L69 PolarHBondContact O-N 3.34Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3.16Å; L69-N72 PolarHBondContact O-N 3.39Å; L69-L73 HydrophobicContact CD2-CD1 3.64Å; L69-L73 HydrophobicContact CD2-CG 4.48Å; L69-L73 VanDerWaalsContact O-CB 3.3Å; L69-L73 WeakPolarHBondContact O-CB 3.45Å; L69-L73 PolarHBondContact O-N 3.19Å; L69-A81 HydrophobicContact CB-CB 4.28Å; L69-L84 HydrophobicContact CD2-CD2 4.2Å; L69-I88 HydrophobicContact CD2-CD1 4.49Å
70M98.1Very high97.7Very high33 Ų3359.1 Ų59.116%0.16331%0.31CS..Hα-helixtrans-55.6-48.9178.3-69.9-17775.600111.9V66 S74 I75 E76 P78 A81V66-M70 HydrophobicContact CG1-SD 4.35Å; V66-M70 WeakPolarHBondContact O-CG 3.5Å; V66-M70 PolarHBondContact O-N 3.14Å; M70-S74 WeakPolarHBondContact O-CA 3.43Å; M70-S74 PolarHBondContact O-N 2.7Å; M70-S74 VanDerWaalsContact O-N 3.13Å; M70-I75 PolarHBondContact O-N 3.05Å; M70-E76 WeakPolarHBondContact CE-O 3.38Å; M70-P78 HydrophobicContact CE-CB 4.34Å; M70-P78 HydrophobicContact CE-CG 3.76Å; M70-P78 HydrophobicContact SD-CB 4.1Å; M70-P78 HydrophobicContact SD-CG 4.09Å; M70-A81 HydrophobicContact CG-CB 3.51Å
71K97Very high97.8Very high171 Ų17159 Ų5974%0.74331%0.309SS*.Hα-helixtrans-67.9-47.1-178.1-177.3-177.3175.1-173.60113.2Q67 W68 L69Q67-K71 WeakPolarHBondContact O-CB 3.48Å; Q67-K71 PolarHBondContact O-N 2.71Å; Q67-K71 VanDerWaalsContact O-N 3.08Å; W68-K71 PolarHBondContact O-N 3.2Å; L69-K71 VanDerWaalsContact C-N 3.33Å; L69-K71 PolarHBondContact O-N 3.16Å
72N96.7Very high97.8Very high72 Ų7260 Ų6039%0.38531%0.313SS..Hα-helixtrans-88.3-18.6-169.1-69.8-84.7000113.7W68 L69W68-N72 HydrophobicContact CD2-CB 4.24Å; W68-N72 VanDerWaalsContact CE2-ND2 3.27Å; W68-N72 HydrophobicContact CE3-CB 4.21Å; W68-N72 HydrophobicContact CH2-CB 4Å; W68-N72 HydrophobicContact CZ2-CB 4.03Å; W68-N72 HydrophobicContact CZ3-CB 4.08Å; W68-N72 PolarHBondContact NE1-ND2 2.86Å; W68-N72 WeakPolarHBondContact O-CB 3.32Å; W68-N72 PolarHBondContact O-N 3.41Å; W68-N72 PolarHBondContact O-ND2 2.91Å; L69-N72 PolarHBondContact O-N 3.39Å
73L96.8Very high97.8Very high68 Ų6865.4 Ų65.436%0.35634%0.338SS..Hα-helixtrans-108.24.8175.1-55.2-177.8000112.8I32 L69 I75 L84I32-L73 HydrophobicContact CD1-CD1 4.25Å; L69-L73 HydrophobicContact CD2-CD1 3.64Å; L69-L73 HydrophobicContact CD2-CG 4.48Å; L69-L73 VanDerWaalsContact O-CB 3.3Å; L69-L73 WeakPolarHBondContact O-CB 3.45Å; L69-L73 PolarHBondContact O-N 3.19Å; L73-I75 VanDerWaalsContact C-N 3.29Å; L73-I75 HydrophobicContact CB-CD1 3.98Å; L73-I75 HydrophobicContact CB-CG1 3.98Å; L73-I75 HydrophobicContact CD1-CD1 4.24Å; L73-I75 PolarHBondContact O-N 3.12Å; L73-L84 HydrophobicContact CD1-CD2 3.56Å
74S97.4Very high97.9Very high106 Ų10665.3 Ų65.374%0.74134%0.336SS*.THydrogen-bonded Turntrans54.343-178.1-55.30000113.1M70M70-S74 WeakPolarHBondContact O-CA 3.43Å; M70-S74 PolarHBondContact O-N 2.7Å; M70-S74 VanDerWaalsContact O-N 3.13Å
75I98.2Very high97.9Very high16 Ų1663.4 Ų63.48%0.08233%0.326CS..  trans-87.6119.9177.2-58.5167.3000108.4M70 L73 D77 E80 A81 L84M70-I75 PolarHBondContact O-N 3.05Å; L73-I75 VanDerWaalsContact C-N 3.29Å; L73-I75 HydrophobicContact CB-CD1 3.98Å; L73-I75 HydrophobicContact CB-CG1 3.98Å; L73-I75 HydrophobicContact CD1-CD1 4.24Å; L73-I75 PolarHBondContact O-N 3.12Å; I75-D77 VanDerWaalsContact CG2-O 3.29Å; I75-D77 WeakPolarHBondContact CG2-O 3.26Å; I75-E80 HydrophobicContact CG2-CB 3.73Å; I75-E80 HydrophobicContact CG2-CG 3.85Å; I75-A81 HydrophobicContact CB-CB 4.49Å; I75-A81 HydrophobicContact CD1-CB 4.23Å; I75-A81 HydrophobicContact CG2-CB 4.09Å; I75-L84 HydrophobicContact CD1-CD2 3.99Å
76E97.3Very high97.9Very high184 Ų18464.5 Ų64.586%0.8633%0.333SS*.  trans-81.7-39.6-178.2-63.9-175.417700112.5M70 P78M70-E76 WeakPolarHBondContact CE-O 3.38Å; E76-P78 WeakPolarHBondContact O-CD 3.24Å
77D97.7Very high97.9Very high82 Ų8268.6 Ų68.644%0.43936%0.355SS..  trans-88.3117.8-179.8-176.1-0.2000111.3I75 V79 E80 A81I75-D77 VanDerWaalsContact CG2-O 3.29Å; I75-D77 WeakPolarHBondContact CG2-O 3.26Å; D77-V79 PolarHBondContact O-N 3.33Å; D77-V79 VanDerWaalsContact O-N 3.16Å; D77-V79 WeakPolarHBondContact OD1-CB 3.38Å; D77-V79 WeakPolarHBondContact OD1-CG2 3.27Å; D77-V79 PolarHBondContact OD1-N 3.42Å; D77-E80 HydrophobicContact CB-CB 4.32Å; D77-E80 PolarHBondContact O-N 3.4Å; D77-E80 VanDerWaalsContact O-N 3.11Å; D77-A81 PolarHBondContact O-N 2.84Å
78P97.2Very high97.9Very high56 Ų5663.9 Ų63.936%0.36433%0.333SS..Hα-helixtrans-54.6-32174.2-23.632.2000113.6M70 E76 E80 A81 I82M70-P78 HydrophobicContact CE-CB 4.34Å; M70-P78 HydrophobicContact CE-CG 3.76Å; M70-P78 HydrophobicContact SD-CB 4.1Å; M70-P78 HydrophobicContact SD-CG 4.09Å; E76-P78 WeakPolarHBondContact O-CD 3.24Å; P78-E80 VanDerWaalsContact C-N 3.33Å; P78-E80 PolarHBondContact O-N 3.4Å; P78-A81 PolarHBondContact O-N 2.92Å; P78-I82 WeakPolarHBondContact O-CD1 3.39Å; P78-I82 VanDerWaalsContact O-CG1 3.23Å; P78-I82 WeakPolarHBondContact O-CG1 3.45Å; P78-I82 PolarHBondContact O-N 3.32Å
79V98.1Very high97.9Very high98 Ų9862.9 Ų62.959%0.59433%0.329SS*.Hα-helixtrans-64.7-39.5179.8-179.30000110.9D77 I82 H83D77-V79 PolarHBondContact O-N 3.33Å; D77-V79 VanDerWaalsContact O-N 3.16Å; D77-V79 WeakPolarHBondContact OD1-CB 3.38Å; D77-V79 WeakPolarHBondContact OD1-CG2 3.27Å; D77-V79 PolarHBondContact OD1-N 3.42Å; V79-I82 PolarHBondContact O-N 3.32Å; V79-H83 VanDerWaalsContact O-CB 3.3Å; V79-H83 WeakPolarHBondContact O-CB 3.3Å; V79-H83 PolarHBondContact O-N 2.91Å
80E98.5Very high97.9Very high113 Ų11364.1 Ų64.153%0.52834%0.339SS..Hα-helixtrans-64.3-43174.7-180178.4-17100111.2I75 D77 P78 H83 L84I75-E80 HydrophobicContact CG2-CB 3.73Å; I75-E80 HydrophobicContact CG2-CG 3.85Å; D77-E80 HydrophobicContact CB-CB 4.32Å; D77-E80 PolarHBondContact O-N 3.4Å; D77-E80 VanDerWaalsContact O-N 3.11Å; P78-E80 VanDerWaalsContact C-N 3.33Å; P78-E80 PolarHBondContact O-N 3.4Å; E80-H83 PolarHBondContact O-N 3.17Å; E80-L84 WeakPolarHBondContact O-CB 3.39Å; E80-L84 PolarHBondContact O-N 3.37Å
81A98.4Very high97.8Very high0 Ų064.3 Ų64.30%034%0.339CS..Hα-helixtrans-64.9-42.2178.200000112.3V66 L69 M70 I75 D77 P78 H83 L84 G85V66-A81 HydrophobicContact CG1-CB 4.17Å; L69-A81 HydrophobicContact CB-CB 4.28Å; M70-A81 HydrophobicContact CG-CB 3.51Å; I75-A81 HydrophobicContact CB-CB 4.49Å; I75-A81 HydrophobicContact CD1-CB 4.23Å; I75-A81 HydrophobicContact CG2-CB 4.09Å; D77-A81 PolarHBondContact O-N 2.84Å; P78-A81 PolarHBondContact O-N 2.92Å; A81-H83 VanDerWaalsContact C-N 3.33Å; A81-L84 PolarHBondContact O-N 2.87Å; A81-G85 PolarHBondContact O-N 3.14Å
82I98.5Very high97.8Very high46 Ų4656.3 Ų56.324%0.23631%0.306CS..Hα-helixtrans-63.7-41.1174.5-66.6162.9000110.6V66 P78 V79 G85 S86 D106V66-I82 HydrophobicContact CG1-CG1 4.03Å; V66-I82 HydrophobicContact CG2-CG1 3.89Å; P78-I82 WeakPolarHBondContact O-CD1 3.39Å; P78-I82 VanDerWaalsContact O-CG1 3.23Å; P78-I82 WeakPolarHBondContact O-CG1 3.45Å; P78-I82 PolarHBondContact O-N 3.32Å; V79-I82 PolarHBondContact O-N 3.32Å; I82-G85 PolarHBondContact O-N 3.42Å; I82-S86 WeakPolarHBondContact O-CB 3.42Å; I82-S86 PolarHBondContact O-N 3.26Å; I82-S86 PolarHBondContact O-OG 3.44Å; I82-D106 HydrophobicContact CD1-CB 3.7Å; I82-D106 HydrophobicContact CG1-CB 4Å
83H98.6Very high97.9Very high115 Ų11552.9 Ų52.953%0.53229%0.288SS..Hα-helixtrans-62.8-49.9177.2-176.666.9000111.3V79 E80 A81 G85 S86 L87V79-H83 VanDerWaalsContact O-CB 3.3Å; V79-H83 WeakPolarHBondContact O-CB 3.3Å; V79-H83 PolarHBondContact O-N 2.91Å; E80-H83 PolarHBondContact O-N 3.17Å; A81-H83 VanDerWaalsContact C-N 3.33Å; H83-G85 PolarHBondContact O-N 3.06Å; H83-S86 WeakPolarHBondContact O-CB 3.23Å; H83-S86 PolarHBondContact O-N 3Å; H83-S86 VanDerWaalsContact O-N 3.15Å; H83-L87 WeakPolarHBondContact O-CG 3.25Å; H83-L87 PolarHBondContact O-N 3.26Å
84L98.6Very high98Very high49 Ų4949.7 Ų49.726%0.25727%0.271SS..Hα-helixtrans-59.5-45.9175.9178.360.2000111.6L69 L73 I75 E80 A81 S86 L87 I88L69-L84 HydrophobicContact CD2-CD2 4.2Å; L73-L84 HydrophobicContact CD1-CD2 3.56Å; I75-L84 HydrophobicContact CD1-CD2 3.99Å; E80-L84 WeakPolarHBondContact O-CB 3.39Å; E80-L84 PolarHBondContact O-N 3.37Å; A81-L84 PolarHBondContact O-N 2.87Å; L84-S86 VanDerWaalsContact C-N 3.28Å; L84-S86 PolarHBondContact O-N 2.99Å; L84-L87 PolarHBondContact O-N 2.78Å; L84-I88 HydrophobicContact CD1-CD1 4.34Å; L84-I88 HydrophobicContact CD1-CG1 4.46Å; L84-I88 HydrophobicContact CG-CD1 4.15Å; L84-I88 WeakPolarHBondContact O-CG1 3.36Å; L84-I88 PolarHBondContact O-N 2.95Å
85G98.4Very high98Very high1 Ų144.7 Ų44.71%0.0124%0.236CC..Hα-helixtrans-59.2-39175.400000112.6A81 I82 H83 I88 A89A81-G85 PolarHBondContact O-N 3.14Å; I82-G85 PolarHBondContact O-N 3.42Å; H83-G85 PolarHBondContact O-N 3.06Å; G85-I88 PolarHBondContact O-N 3.49Å; G85-A89 WeakPolarHBondContact O-CB 3.25Å; G85-A89 PolarHBondContact O-N 2.97Å
86S98.4Very high98Very high23 Ų2344.1 Ų44.116%0.16123%0.233CC..Hα-helixtrans-67.7-38.4176-63.30000112.2I82 H83 L84 A89 A90 M104I82-S86 WeakPolarHBondContact O-CB 3.42Å; I82-S86 PolarHBondContact O-N 3.26Å; I82-S86 PolarHBondContact O-OG 3.44Å; H83-S86 WeakPolarHBondContact O-CB 3.23Å; H83-S86 PolarHBondContact O-N 3Å; H83-S86 VanDerWaalsContact O-N 3.15Å; L84-S86 VanDerWaalsContact C-N 3.28Å; L84-S86 PolarHBondContact O-N 2.99Å; S86-A89 PolarHBondContact O-N 3.05Å; S86-A90 WeakPolarHBondContact O-CB 3.45Å; S86-A90 PolarHBondContact O-N 2.98Å; S86-M104 WeakPolarHBondContact OG-CB 3.42Å; S86-M104 PolarHBondContact OG-N 2.64Å
87L98.3Very high97.8Very high86 Ų8637.1 Ų37.145%0.4520%0.201SC..Hα-helixtrans-64.9-42.8173.8-69.6176.3000111.7H83 L84 A89 A90 Q91H83-L87 WeakPolarHBondContact O-CG 3.25Å; H83-L87 PolarHBondContact O-N 3.26Å; L84-L87 PolarHBondContact O-N 2.78Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 3.31Å; L87-A90 PolarHBondContact O-N 3.34Å; L87-Q91 VanDerWaalsContact O-CG 3.26Å; L87-Q91 WeakPolarHBondContact O-CG 3.46Å; L87-Q91 PolarHBondContact O-N 3.49Å
88I98.3Very high97.5Very high2 Ų238.1 Ų38.11%0.0122%0.215CC..Hα-helixtrans-60.1-41174.5-68.5171.6000110.5I29 I32 I33 L69 L84 G85 Q91 G92 Y93 I94I29-I88 HydrophobicContact CG2-CB 4.46Å; I29-I88 HydrophobicContact CG2-CG1 4Å; I29-I88 HydrophobicContact CG2-CG2 4.02Å; I32-I88 HydrophobicContact CG2-CD1 4.27Å; I33-I88 HydrophobicContact CD1-CG2 3.74Å; I33-I88 HydrophobicContact CG1-CG2 4.4Å; L69-I88 HydrophobicContact CD2-CD1 4.49Å; L84-I88 HydrophobicContact CD1-CD1 4.34Å; L84-I88 HydrophobicContact CD1-CG1 4.46Å; L84-I88 HydrophobicContact CG-CD1 4.15Å; L84-I88 WeakPolarHBondContact O-CG1 3.36Å; L84-I88 PolarHBondContact O-N 2.95Å; G85-I88 PolarHBondContact O-N 3.49Å; I88-Q91 PolarHBondContact O-N 2.85Å; I88-G92 PolarHBondContact O-N 3.03Å; I88-Y93 PolarHBondContact O-N 2.82Å; I88-I94 HydrophobicContact CG2-CD1 3.99Å; I88-I94 HydrophobicContact CG2-CG1 4.12Å
89A98.1Very high97.4Very high0 Ų038.1 Ų38.10%021%0.212CC..Hα-helixtrans-67-45.4177.100000112.5G85 S86 L87 Q91 G92 I94G85-A89 WeakPolarHBondContact O-CB 3.25Å; G85-A89 PolarHBondContact O-N 2.97Å; S86-A89 PolarHBondContact O-N 3.05Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 3.31Å; A89-Q91 PolarHBondContact O-N 3.4Å; A89-G92 WeakPolarHBondContact O-CA 3.43Å; A89-G92 PolarHBondContact O-N 3.45Å; A89-I94 WeakPolarHBondContact CA-O 3.49Å; A89-I94 WeakPolarHBondContact CB-O 3.44Å
90A97.5Very high97.2Very high25 Ų2535.3 Ų35.321%0.20719%0.192CC..Hα-helixtrans-63.7-24.117800000113.5S86 L87 G92 L102 T212S86-A90 WeakPolarHBondContact O-CB 3.45Å; S86-A90 PolarHBondContact O-N 2.98Å; L87-A90 PolarHBondContact O-N 3.34Å; A90-G92 VanDerWaalsContact C-N 3.27Å; A90-L102 PolarHBondContact N-O 2.91Å; A90-T212 HydrophobicContact CB-CG2 3.89Å; A90-T212 WeakPolarHBondContact O-CG2 3.34Å; A90-T212 PolarHBondContact O-OG1 2.97Å
91Q96.3Very high97.2Very high37 Ų3732 Ų3217%0.17318%0.179CC..THydrogen-bonded Turntrans-82.3-3.7170.9-66-66.9-19.200113I29 L87 I88 A89 Y93 P120I29-Q91 HydrophobicContact CD1-CG 4.21Å; L87-Q91 VanDerWaalsContact O-CG 3.26Å; L87-Q91 WeakPolarHBondContact O-CG 3.46Å; L87-Q91 PolarHBondContact O-N 3.49Å; I88-Q91 PolarHBondContact O-N 2.85Å; A89-Q91 PolarHBondContact O-N 3.4Å; Q91-Y93 HydrophobicContact CB-CD2 3.8Å; Q91-Y93 HydrophobicContact CB-CE2 3.92Å; Q91-P120 WeakPolarHBondContact O-CG 3.35Å
92G97.1Very high97.2Very high4 Ų432.7 Ų32.74%0.04118%0.183CC..THydrogen-bonded Turntrans86.812.117300000115.8I88 A89 A90 Q114 V202I88-G92 PolarHBondContact O-N 3.03Å; A89-G92 WeakPolarHBondContact O-CA 3.43Å; A89-G92 PolarHBondContact O-N 3.45Å; A90-G92 VanDerWaalsContact C-N 3.27Å; G92-Q114 WeakPolarHBondContact O-CB 3.41Å; G92-Q114 WeakPolarHBondContact O-CG 3.44Å; G92-V202 VanDerWaalsContact CA-CG2 3.45Å
93Y98.3Very high97.1Very high0 Ų033 Ų330%019%0.187CC..SBendtrans-81.2-28.5179-70.2-80.6000113.2Y26 I29 E30 I33 I88 Q91 Q114 W119 P120Y26-Y93 WeakPolarHBondContact CB-OH 3.34Å; I29-Y93 HydrophobicContact CB-CD2 4.28Å; I29-Y93 HydrophobicContact CB-CE2 3.99Å; I29-Y93 HydrophobicContact CD1-CE2 4.17Å; I29-Y93 HydrophobicContact CG2-CD1 4.3Å; I29-Y93 HydrophobicContact CG2-CD2 3.33Å; I29-Y93 HydrophobicContact CG2-CE1 4.49Å; I29-Y93 HydrophobicContact CG2-CE2 3.53Å; I29-Y93 HydrophobicContact CG2-CG 3.73Å; E30-Y93 HydrophobicContact CG-CD1 4.25Å; E30-Y93 HydrophobicContact CG-CE1 3.31Å; E30-Y93 PolarHBondContact OE1-OH 3.37Å; I33-Y93 HydrophobicContact CG1-CD1 4.19Å; I33-Y93 HydrophobicContact CG1-CG 4.16Å; I88-Y93 PolarHBondContact O-N 2.82Å; Q91-Y93 HydrophobicContact CB-CD2 3.8Å; Q91-Y93 HydrophobicContact CB-CE2 3.92Å; Y93-Q114 WeakPolarHBondContact O-CB 3.33Å; Y93-Q114 PolarHBondContact O-N 3.13Å; Y93-W119 AromaticContact CD1-CD1 3.72Å; Y93-W119 AromaticContact CD1-CD2 3.95Å; Y93-W119 HydrophobicContact CD1-CD2 3.95Å; Y93-W119 AromaticContact CD1-CE2 3.83Å; Y93-W119 AromaticContact CD1-CG 3.87Å; Y93-W119 HydrophobicContact CD1-CG 3.87Å; Y93-W119 HydrophobicContact CD1-CZ2 4.49Å; Y93-W119 AromaticContact CD1-NE1 3.72Å; Y93-W119 HydrophobicContact CE1-CB 3.91Å; Y93-W119 AromaticContact CE1-CD1 3.87Å; Y93-W119 AromaticContact CE1-CD2 3.61Å; Y93-W119 HydrophobicContact CE1-CD2 3.61Å; Y93-W119 AromaticContact CE1-CE2 4Å; Y93-W119 HydrophobicContact CE1-CE3 4.12Å; Y93-W119 AromaticContact CE1-CG 3.53Å; Y93-W119 HydrophobicContact CE1-CG 3.53Å; Y93-P120 HydrophobicContact CE2-CG 3.66Å; Y93-P120 WeakPolarHBondContact OH-CG 3.41Å
94I98.1Very high97.1Very high1 Ų128 Ų281%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-135.3141.5176.1-56.5176.2000107.2I33 M36 I65 I88 A89 M104 Y111 R112 F113I33-I94 HydrophobicContact CD1-CD1 3.65Å; I33-I94 HydrophobicContact CD1-CG1 3.59Å; M36-I94 HydrophobicContact SD-CD1 3.96Å; I65-I94 HydrophobicContact CD1-CD1 4.4Å; I65-I94 HydrophobicContact CD1-CG2 4.06Å; I65-I94 HydrophobicContact CG2-CD1 4.49Å; I88-I94 HydrophobicContact CG2-CD1 3.99Å; I88-I94 HydrophobicContact CG2-CG1 4.12Å; A89-I94 WeakPolarHBondContact CA-O 3.49Å; A89-I94 WeakPolarHBondContact CB-O 3.44Å; I94-M104 HydrophobicContact CG2-CE 4.32Å; I94-Y111 HydrophobicContact CG2-CD1 3.92Å; I94-Y111 HydrophobicContact CG2-CG 4.13Å; I94-R112 CarbonylContact C-O 3.58Å; I94-R112 VanDerWaalsContact CA-O 3.29Å; I94-R112 WeakPolarHBondContact CA-O 3.32Å; I94-F113 HydrophobicContact CD1-CD1 4.16Å; I94-F113 HydrophobicContact CD1-CE1 3.77Å; I94-F113 HydrophobicContact CG1-CD1 3.79Å; I94-F113 HydrophobicContact CG1-CE1 3.94Å
95F98.4Very high97Very high0 Ų030 Ų300%017%0.17CC..EExtended strand (participates in β ladder)trans-142.8143.6-179.858.5-89.6000112.5L102 Y111 R112 Q114 S194 Q195 A198F95-L102 HydrophobicContact CB-CD2 3.74Å; F95-Y111 CarbonylContact O-C 3.44Å; F95-Y111 VanDerWaalsContact O-CA 3.28Å; F95-Y111 WeakPolarHBondContact O-CA 3.27Å; F95-R112 WeakPolarHBondContact CD1-O 3.48Å; F95-R112 HydrophobicContact CD2-CB 4.4Å; F95-R112 HydrophobicContact CE1-CB 3.95Å; F95-R112 HydrophobicContact CE2-CB 3.85Å; F95-R112 HydrophobicContact CE2-CG 4.44Å; F95-R112 HydrophobicContact CZ-CB 3.6Å; F95-R112 HydrophobicContact CZ-CG 4.44Å; F95-R112 PolarHBondContact N-O 3.49Å; F95-R112 PolarHBondContact O-N 3.45Å; F95-Q114 HydrophobicContact CD1-CB 4.28Å; F95-Q114 HydrophobicContact CE1-CB 4.19Å; F95-S194 WeakPolarHBondContact CE2-O 3.33Å; F95-Q195 HydrophobicContact CE1-CG 4.24Å; F95-Q195 HydrophobicContact CZ-CG 3.92Å; F95-A198 HydrophobicContact CB-CB 3.63Å; F95-A198 HydrophobicContact CD1-CB 3.36Å; F95-A198 HydrophobicContact CD2-CB 3.57Å; F95-A198 HydrophobicContact CE1-CB 3.8Å; F95-A198 HydrophobicContact CE2-CB 3.99Å; F95-A198 HydrophobicContact CG-CB 3.23Å; F95-A198 HydrophobicContact CZ-CB 4.09Å
96P97.6Very high96.9Very high4 Ų433.1 Ų33.13%0.02619%0.187CC..EExtended strand (participates in β ladder)trans-68.3137.3173.727.4-31.4000109.8S98 D99 V101 T109 Y111 R197P96-S98 VanDerWaalsContact C-N 3.3Å; P96-S98 PolarHBondContact O-N 3.08Å; P96-D99 HydrophobicContact CB-CB 4.22Å; P96-D99 HydrophobicContact CG-CB 4.02Å; P96-V101 WeakPolarHBondContact CG-O 3.5Å; P96-T109 HydrophobicContact CB-CG2 4.44Å; P96-Y111 HydrophobicContact CB-CD1 4.08Å; P96-Y111 HydrophobicContact CB-CE1 3.73Å; P96-Y111 HydrophobicContact CG-CE1 4.18Å; P96-R197 PolarHBondContact O-NH2 2.86Å
97I94.3Very high96.9Very high38 Ų3835.2 Ų35.220%0.19520%0.196CC..SBendtrans-74.6-22.8-174.665.8175.2000113.5I56 V59 F110 R112 R197I56-I97 HydrophobicContact CD1-CD1 4.13Å; I56-I97 HydrophobicContact CG2-CD1 3.79Å; V59-I97 HydrophobicContact CG1-CD1 4.2Å; V59-I97 HydrophobicContact CG1-CG2 4.18Å; I97-F110 HydrophobicContact CD1-CB 3.52Å; I97-F110 HydrophobicContact CD1-CD2 4.23Å; I97-F110 HydrophobicContact CD1-CG 4.27Å; I97-F110 HydrophobicContact CG1-CB 3.87Å; I97-F110 PolarHBondContact N-O 3.4Å; I97-R112 HydrophobicContact CG2-CB 4.39Å; I97-R112 HydrophobicContact CG2-CG 3.57Å; I97-R197 VanDerWaalsContact C-NH2 3.35Å; I97-R197 PolarHBondContact O-NH2 3.39Å; I97-R197 VanDerWaalsContact O-NH2 3.08Å
98S90.6Very high96.7Very high103 Ų10333.7 Ų33.772%0.7220%0.201SC*.SBendtrans-113.62.5-169.853.60000114.4P96P96-S98 VanDerWaalsContact C-N 3.3Å; P96-S98 PolarHBondContact O-N 3.08Å
99D94.1Very high96.7Very high56 Ų5635 Ų3530%0.29921%0.21SC..  trans-136.8147.1-175.7-158.1-23.6000110P96 V101 R197P96-D99 HydrophobicContact CB-CB 4.22Å; P96-D99 HydrophobicContact CG-CB 4.02Å; D99-V101 PolarHBondContact OD1-N 3.36Å; D99-R197 PolarHBondContact O-NH1 3.09Å; D99-R197 PolarHBondContact O-NH2 3.13Å
100H96Very high96.7Very high39 Ų3937.8 Ų37.818%0.18122%0.222CC..SBendtrans-85.5-18.7172.8-77.5-86.8000112L102 Y151 E152 D201 V206H100-L102 PolarHBondContact O-N 3.23Å; H100-Y151 PolarHBondContact ND1-OH 2.68Å; H100-E152 IonicContact CE1-OE1 3.79Å; H100-E152 IonicContact CE1-OE2 2.67Å; H100-E152 IonicContact NE2-OE2 3.96Å; H100-D201 IonicContact CE1-OD1 2.68Å; H100-D201 IonicContact CG-OD1 3.75Å; H100-D201 IonicContact ND1-OD1 3.61Å; H100-D201 PolarHBondContact ND1-OD1 3.26Å; H100-D201 IonicContact ND1-OD2 3.73Å; H100-V206 HydrophobicContact CB-CG2 3.56Å
101V97.4Very high96.7Very high42 Ų4236.7 Ų36.726%0.25521%0.213SC..SBendtrans-80.5113.1176.7-179.20000109.9P96 D99 T103 V206P96-V101 WeakPolarHBondContact CG-O 3.5Å; D99-V101 PolarHBondContact OD1-N 3.36Å; V101-T103 VanDerWaalsContact C-N 3.33Å; V101-T103 HydrophobicContact CG1-CG2 3.79Å; V101-T103 PolarHBondContact O-N 2.97Å; V101-V206 HydrophobicContact CG2-CB 4.47Å; V101-V206 HydrophobicContact CG2-CG2 4.22Å
102L97.8Very high96.8Very high15 Ų1535.9 Ų35.98%0.07921%0.208CC..  trans-79.475.9-176.6-59.8-177.5000112A90 F95 H100 D201 V202A90-L102 PolarHBondContact N-O 2.91Å; F95-L102 HydrophobicContact CB-CD2 3.74Å; H100-L102 PolarHBondContact O-N 3.23Å; L102-D201 HydrophobicContact CD1-CB 3.88Å; L102-D201 HydrophobicContact CD2-CB 4.01Å; L102-D201 HydrophobicContact CG-CB 3.91Å; L102-V202 HydrophobicContact CD1-CB 4.45Å; L102-V202 HydrophobicContact CD1-CG2 3.47Å; L102-V202 VanDerWaalsContact CD1-CG2 3.47Å
103T97.3Very high96.8Very high54 Ų5436.8 Ų36.833%0.33121%0.211SC..  trans-132.3152.7178.756.10000112.2V101 Y111V101-T103 VanDerWaalsContact C-N 3.33Å; V101-T103 HydrophobicContact CG1-CG2 3.79Å; V101-T103 PolarHBondContact O-N 2.97Å; T103-Y111 VanDerWaalsContact O-CE1 3.27Å; T103-Y111 WeakPolarHBondContact O-CE1 3.44Å; T103-Y111 PolarHBondContact O-OH 3.09Å
104M97.4Very high96.8Very high9 Ų936.9 Ų36.94%0.04421%0.211CC..  trans-91.2138.8175.8-164.167.165.400110.8I65 V66 S86 I94 Y111I65-M104 HydrophobicContact CB-CE 4.43Å; I65-M104 HydrophobicContact CB-SD 4.34Å; I65-M104 HydrophobicContact CD1-CE 3.93Å; I65-M104 HydrophobicContact CD1-SD 3.93Å; I65-M104 HydrophobicContact CG2-CE 3.82Å; I65-M104 HydrophobicContact CG2-SD 4.3Å; V66-M104 HydrophobicContact CG2-CG 4.12Å; S86-M104 WeakPolarHBondContact OG-CB 3.42Å; S86-M104 PolarHBondContact OG-N 2.64Å; I94-M104 HydrophobicContact CG2-CE 4.32Å; M104-Y111 VanDerWaalsContact CA-OH 3.32Å; M104-Y111 WeakPolarHBondContact CA-OH 3.26Å; M104-Y111 HydrophobicContact SD-CD1 4.22Å; M104-Y111 HydrophobicContact SD-CD2 4.11Å; M104-Y111 HydrophobicContact SD-CE1 3.92Å; M104-Y111 HydrophobicContact SD-CE2 3.81Å; M104-Y111 HydrophobicContact SD-CG 4.34Å
105K97.1Very high96.7Very high90 Ų9038 Ų3839%0.39122%0.22SC..  trans-122.2134.6171.8-62.6179.2-176.3172.60108.3G62 D107 Y111G62-K105 CarbonylContact C-O 3.57Å; G62-K105 VanDerWaalsContact CA-O 3.24Å; G62-K105 WeakPolarHBondContact CA-O 3.2Å; K105-D107 PolarHBondContact O-N 2.66Å; K105-Y111 PolarHBondContact N-OH 3.07Å
106D97.2Very high96.5Very high67 Ų6741.8 Ų41.836%0.35825%0.245SC..SBendtrans-8369172.8-173.814.4000110.2T63 V66 I82T63-D106 VanDerWaalsContact CA-OD1 3.23Å; T63-D106 WeakPolarHBondContact CA-OD1 3.45Å; T63-D106 WeakPolarHBondContact CB-OD1 3.49Å; T63-D106 PolarHBondContact OG1-OD1 3.47Å; V66-D106 HydrophobicContact CG1-CB 4.5Å; V66-D106 HydrophobicContact CG2-CB 4.17Å; I82-D106 HydrophobicContact CD1-CB 3.7Å; I82-D106 HydrophobicContact CG1-CB 4Å
107D96.9Very high96.3Very high67 Ų6747.4 Ų47.436%0.35827%0.266SS..SBendtrans-151.5-168.4177.36519.9000111.2G62 T63 K105 T109G62-D107 PolarHBondContact N-O 2.89Å; T63-D107 PolarHBondContact N-O 3.49Å; T63-D107 VanDerWaalsContact N-O 3.09Å; T63-D107 WeakPolarHBondContact OG1-CA 3.27Å; T63-D107 PolarHBondContact OG1-N 3.41Å; T63-D107 PolarHBondContact OG1-O 3.36Å; K105-D107 PolarHBondContact O-N 2.66Å; D107-T109 PolarHBondContact O-N 2.9Å; D107-T109 VanDerWaalsContact O-N 3.14Å; D107-T109 WeakPolarHBondContact OD1-CA 3.44Å; D107-T109 WeakPolarHBondContact OD1-CB 3.36Å; D107-T109 PolarHBondContact OD1-N 3.18Å; D107-T109 PolarHBondContact OD1-OG1 3.26Å; D107-T109 PolarHBondContact OD2-OG1 3.01Å
108G96.2Very high96.4Very high54 Ų5446.8 Ų46.856%0.55726%0.263SS*.SBendtrans-727.9177.100000115.4F110G108-F110 PolarHBondContact O-N 3.43Å
109T97.1Very high96.5Very high30 Ų3043.2 Ų43.218%0.18423%0.233CC..  trans-58.9136.1176.5-63.20000110.2T61 G62 P96 D107 Y111T61-T109 CarbonylContact C-O 3.49Å; T61-T109 WeakPolarHBondContact CA-O 3.37Å; G62-T109 PolarHBondContact N-O 3.31Å; P96-T109 HydrophobicContact CB-CG2 4.44Å; D107-T109 PolarHBondContact O-N 2.9Å; D107-T109 VanDerWaalsContact O-N 3.14Å; D107-T109 WeakPolarHBondContact OD1-CA 3.44Å; D107-T109 WeakPolarHBondContact OD1-CB 3.36Å; D107-T109 PolarHBondContact OD1-N 3.18Å; D107-T109 PolarHBondContact OD1-OG1 3.26Å; D107-T109 PolarHBondContact OD2-OG1 3.01Å; T109-Y111 HydrophobicContact CG2-CD2 4.37Å; T109-Y111 HydrophobicContact CG2-CE2 3.68Å; T109-Y111 WeakPolarHBondContact O-CD2 3.47Å
110F97.4Very high96.3Very high59 Ų5941.2 Ų41.226%0.25922%0.223SC..EExtended strand (participates in β ladder)trans-91.2131.5-178.1-65.4-55000112.4V49 V59 V60 T61 I97 G108V49-F110 HydrophobicContact CB-CZ 4.32Å; V49-F110 HydrophobicContact CG1-CE2 4.45Å; V49-F110 HydrophobicContact CG1-CZ 4.03Å; V49-F110 HydrophobicContact CG2-CE1 3.75Å; V49-F110 HydrophobicContact CG2-CZ 3.79Å; V59-F110 HydrophobicContact CB-CB 4.17Å; V59-F110 HydrophobicContact CB-CD1 4.21Å; V59-F110 HydrophobicContact CB-CG 4.39Å; V59-F110 HydrophobicContact CG1-CB 4.27Å; V59-F110 HydrophobicContact CG2-CD1 3.88Å; V59-F110 HydrophobicContact CG2-CE1 4.37Å; V59-F110 HydrophobicContact CG2-CG 4.27Å; V60-F110 WeakPolarHBondContact O-CA 3.2Å; T61-F110 HydrophobicContact CG2-CD1 4.2Å; T61-F110 HydrophobicContact CG2-CE1 3.97Å; I97-F110 HydrophobicContact CD1-CB 3.52Å; I97-F110 HydrophobicContact CD1-CD2 4.23Å; I97-F110 HydrophobicContact CD1-CG 4.27Å; I97-F110 HydrophobicContact CG1-CB 3.87Å; I97-F110 PolarHBondContact N-O 3.4Å; G108-F110 PolarHBondContact O-N 3.43Å
111Y98.2Very high96Very high2 Ų240.4 Ų40.41%0.00822%0.222CC..EExtended strand (participates in β ladder)trans-119161.9177.5-66.5-94.3000111.6V59 V60 I65 I94 F95 P96 T103 M104 K105 T109V59-Y111 WeakPolarHBondContact CA-O 3.45Å; V60-Y111 PolarHBondContact N-O 3.05Å; V60-Y111 PolarHBondContact O-N 3.29Å; I65-Y111 HydrophobicContact CD1-CD2 4.26Å; I65-Y111 HydrophobicContact CD1-CG 4.13Å; I94-Y111 HydrophobicContact CG2-CD1 3.92Å; I94-Y111 HydrophobicContact CG2-CG 4.13Å; F95-Y111 CarbonylContact O-C 3.44Å; F95-Y111 VanDerWaalsContact O-CA 3.28Å; F95-Y111 WeakPolarHBondContact O-CA 3.27Å; P96-Y111 HydrophobicContact CB-CD1 4.08Å; P96-Y111 HydrophobicContact CB-CE1 3.73Å; P96-Y111 HydrophobicContact CG-CE1 4.18Å; T103-Y111 VanDerWaalsContact O-CE1 3.27Å; T103-Y111 WeakPolarHBondContact O-CE1 3.44Å; T103-Y111 PolarHBondContact O-OH 3.09Å; M104-Y111 VanDerWaalsContact CA-OH 3.32Å; M104-Y111 WeakPolarHBondContact CA-OH 3.26Å; M104-Y111 HydrophobicContact SD-CD1 4.22Å; M104-Y111 HydrophobicContact SD-CD2 4.11Å; M104-Y111 HydrophobicContact SD-CE1 3.92Å; M104-Y111 HydrophobicContact SD-CE2 3.81Å; M104-Y111 HydrophobicContact SD-CG 4.34Å; K105-Y111 PolarHBondContact N-OH 3.07Å; T109-Y111 HydrophobicContact CG2-CD2 4.37Å; T109-Y111 HydrophobicContact CG2-CE2 3.68Å; T109-Y111 WeakPolarHBondContact O-CD2 3.47Å
112R97.8Very high95.4Very high20 Ų2040.8 Ų40.88%0.07522%0.223CC..EExtended strand (participates in β ladder)trans-130.6146.9171.4-74.7177.6-172.2-76.9-8.9110.5P57 S58 V59 I94 F95 I97P57-R112 PolarHBondContact O-NH1 3.5Å; P57-R112 PolarHBondContact O-NH2 2.8Å; S58-R112 PolarHBondContact O-NH1 3.3Å; S58-R112 VanDerWaalsContact O-NH1 3.08Å; V59-R112 HydrophobicContact CG1-CG 4.19Å; I94-R112 CarbonylContact C-O 3.58Å; I94-R112 VanDerWaalsContact CA-O 3.29Å; I94-R112 WeakPolarHBondContact CA-O 3.32Å; F95-R112 WeakPolarHBondContact CD1-O 3.48Å; F95-R112 HydrophobicContact CD2-CB 4.4Å; F95-R112 HydrophobicContact CE1-CB 3.95Å; F95-R112 HydrophobicContact CE2-CB 3.85Å; F95-R112 HydrophobicContact CE2-CG 4.44Å; F95-R112 HydrophobicContact CZ-CB 3.6Å; F95-R112 HydrophobicContact CZ-CG 4.44Å; F95-R112 PolarHBondContact N-O 3.49Å; F95-R112 PolarHBondContact O-N 3.45Å; I97-R112 HydrophobicContact CG2-CB 4.39Å; I97-R112 HydrophobicContact CG2-CG 3.57Å
113F98.1Very high94.5Very high22 Ų2242.4 Ų42.410%0.09624%0.235CC..EExtended strand (participates in β ladder)trans-73.4138.5165.1-63.2-72000110.6I33 M36 Q37 V44 I46 V60 I94I33-F113 HydrophobicContact CD1-CD1 4.26Å; I33-F113 HydrophobicContact CD1-CE1 4.29Å; I33-F113 HydrophobicContact CG2-CD1 4.35Å; M36-F113 HydrophobicContact CB-CE1 3.96Å; M36-F113 HydrophobicContact CB-CZ 3.91Å; M36-F113 HydrophobicContact SD-CE1 4.15Å; Q37-F113 HydrophobicContact CG-CD1 4.01Å; Q37-F113 HydrophobicContact CG-CD2 3.6Å; Q37-F113 HydrophobicContact CG-CE1 4.08Å; Q37-F113 HydrophobicContact CG-CE2 3.67Å; Q37-F113 HydrophobicContact CG-CG 3.78Å; Q37-F113 HydrophobicContact CG-CZ 3.93Å; V44-F113 HydrophobicContact CB-CZ 4.47Å; I46-F113 HydrophobicContact CD1-CD2 4.13Å; I46-F113 HydrophobicContact CD1-CE2 4.03Å; I46-F113 HydrophobicContact CG1-CE2 4.13Å; V60-F113 HydrophobicContact CG1-CE2 3.96Å; V60-F113 HydrophobicContact CG2-CE2 4.41Å; I94-F113 HydrophobicContact CD1-CD1 4.16Å; I94-F113 HydrophobicContact CD1-CE1 3.77Å; I94-F113 HydrophobicContact CG1-CD1 3.79Å; I94-F113 HydrophobicContact CG1-CE1 3.94Å
114Q97.9Very high93.7Very high3 Ų340.9 Ų40.91%0.01422%0.223CC..PPolyproline II helixtrans-78.7143.4175.3-177.862.1-78.900111.2G92 Y93 F95 F118 W119 Q195G92-Q114 WeakPolarHBondContact O-CB 3.41Å; G92-Q114 WeakPolarHBondContact O-CG 3.44Å; Y93-Q114 WeakPolarHBondContact O-CB 3.33Å; Y93-Q114 PolarHBondContact O-N 3.13Å; F95-Q114 HydrophobicContact CD1-CB 4.28Å; F95-Q114 HydrophobicContact CE1-CB 4.19Å; Q114-F118 HydrophobicContact CG-CB 3.71Å; Q114-W119 PolarHBondContact O-NE1 3.33Å; Q114-W119 VanDerWaalsContact O-NE1 3.09Å; Q114-Q195 PolarHBondContact NE2-O 3.04Å; Q114-Q195 VanDerWaalsContact OE1-CB 3.29Å
115A96Very high93Very high23 Ų2346.6 Ų46.619%0.1925%0.249CC..PPolyproline II helixtrans-65.2139.1175.500000110.9Y117 F118A115-Y117 PolarHBondContact O-N 3.22Å; A115-F118 HydrophobicContact CB-CD2 4.28Å; A115-F118 PolarHBondContact O-N 2.95Å
116P95.2Very high92.6Very high81 Ų8142.8 Ų42.853%0.52623%0.234SC..G310 helixtrans-53.9-26.8179.6-29.335.5000115.4F118 W119 N122P116-F118 VanDerWaalsContact C-N 3.27Å; P116-F118 PolarHBondContact O-N 3.09Å; P116-W119 HydrophobicContact CB-CD2 4.05Å; P116-W119 HydrophobicContact CB-CE3 4.15Å; P116-W119 HydrophobicContact CB-CH2 4.45Å; P116-W119 HydrophobicContact CB-CZ2 4.31Å; P116-W119 HydrophobicContact CB-CZ3 4.36Å; P116-W119 HydrophobicContact CG-CH2 4.2Å; P116-W119 HydrophobicContact CG-CZ2 3.91Å; P116-W119 WeakPolarHBondContact O-CB 3.5Å; P116-W119 PolarHBondContact O-N 3.15Å; P116-N122 PolarHBondContact O-ND2 3.42Å
117Y92.9Very high92.4Very high121 Ų12144.1 Ų44.148%0.47524%0.238SC..G310 helixtrans-56.3-40.5172.7175.6-101.1000112.6A115 W119 N122 W124A115-Y117 PolarHBondContact O-N 3.22Å; Y117-W119 VanDerWaalsContact C-N 3.34Å; Y117-W119 PolarHBondContact O-N 3.09Å; Y117-N122 PolarHBondContact O-ND2 3.24Å; Y117-W124 HydrophobicContact CD1-CZ2 4.29Å; Y117-W124 HydrophobicContact CD2-CZ2 4.26Å; Y117-W124 HydrophobicContact CE1-CH2 4.07Å; Y117-W124 AromaticContact CE1-CZ2 3.87Å; Y117-W124 HydrophobicContact CE1-CZ2 3.87Å; Y117-W124 AromaticContact CE2-CH2 3.92Å; Y117-W124 HydrophobicContact CE2-CH2 3.92Å; Y117-W124 AromaticContact CE2-CZ2 3.85Å; Y117-W124 HydrophobicContact CE2-CZ2 3.85Å; Y117-W124 HydrophobicContact CG-CZ2 4.48Å; Y117-W124 AromaticContact CZ-CH2 3.53Å; Y117-W124 AromaticContact CZ-CZ2 3.65Å; Y117-W124 WeakPolarHBondContact O-CZ2 3.44Å; Y117-W124 PolarHBondContact O-NE1 3.02Å; Y117-W124 WeakPolarHBondContact OH-CH2 3.25Å
118F95.4Very high92.3Very high26 Ų2644.6 Ų44.611%0.11424%0.241CC..G310 helixtrans-88.44-178.3-67-58.6000113.9Q114 A115 P116 Q195 E196 F199Q114-F118 HydrophobicContact CG-CB 3.71Å; A115-F118 HydrophobicContact CB-CD2 4.28Å; A115-F118 PolarHBondContact O-N 2.95Å; P116-F118 VanDerWaalsContact C-N 3.27Å; P116-F118 PolarHBondContact O-N 3.09Å; F118-Q195 HydrophobicContact CD2-CB 4.19Å; F118-Q195 HydrophobicContact CE2-CB 4.04Å; F118-E196 HydrophobicContact CZ-CB 4.46Å; F118-F199 HydrophobicContact CB-CB 4.29Å; F118-F199 HydrophobicContact CB-CD2 4.04Å; F118-F199 HydrophobicContact CD1-CB 3.75Å; F118-F199 HydrophobicContact CD1-CD1 4.49Å; F118-F199 AromaticContact CD1-CD2 3.5Å; F118-F199 HydrophobicContact CD1-CD2 3.5Å; F118-F199 VanDerWaalsContact CD1-CD2 3.5Å; F118-F199 HydrophobicContact CD1-CE2 4.21Å; F118-F199 AromaticContact CD1-CG 3.65Å; F118-F199 HydrophobicContact CD1-CG 3.65Å; F118-F199 HydrophobicContact CE1-CB 4.23Å; F118-F199 HydrophobicContact CE1-CD2 4.36Å; F118-F199 HydrophobicContact CE1-CG 4.16Å; F118-F199 HydrophobicContact CG-CB 4.05Å; F118-F199 HydrophobicContact CG-CD2 4.15Å; F118-F199 HydrophobicContact CG-CG 4.36Å
119W94.1Very high92.2Very high27 Ų2744.3 Ų44.310%0.10223%0.228CC..  trans-66.4143.1180-70.5-0.9000112.2E30 I33 Y93 Q114 P116 Y117 S121 N122E30-W119 HydrophobicContact CB-CE3 4.31Å; E30-W119 HydrophobicContact CB-CH2 4.29Å; E30-W119 HydrophobicContact CB-CZ3 3.8Å; E30-W119 HydrophobicContact CG-CD2 4.12Å; E30-W119 HydrophobicContact CG-CE3 3.43Å; E30-W119 VanDerWaalsContact CG-CE3 3.43Å; E30-W119 HydrophobicContact CG-CH2 4.11Å; E30-W119 HydrophobicContact CG-CZ3 3.43Å; E30-W119 VanDerWaalsContact CG-CZ3 3.43Å; I33-W119 HydrophobicContact CG2-CH2 4.38Å; I33-W119 HydrophobicContact CG2-CZ2 3.82Å; Y93-W119 AromaticContact CD1-CD1 3.72Å; Y93-W119 AromaticContact CD1-CD2 3.95Å; Y93-W119 HydrophobicContact CD1-CD2 3.95Å; Y93-W119 AromaticContact CD1-CE2 3.83Å; Y93-W119 AromaticContact CD1-CG 3.87Å; Y93-W119 HydrophobicContact CD1-CG 3.87Å; Y93-W119 HydrophobicContact CD1-CZ2 4.49Å; Y93-W119 AromaticContact CD1-NE1 3.72Å; Y93-W119 HydrophobicContact CE1-CB 3.91Å; Y93-W119 AromaticContact CE1-CD1 3.87Å; Y93-W119 AromaticContact CE1-CD2 3.61Å; Y93-W119 HydrophobicContact CE1-CD2 3.61Å; Y93-W119 AromaticContact CE1-CE2 4Å; Y93-W119 HydrophobicContact CE1-CE3 4.12Å; Y93-W119 AromaticContact CE1-CG 3.53Å; Y93-W119 HydrophobicContact CE1-CG 3.53Å; Q114-W119 PolarHBondContact O-NE1 3.33Å; Q114-W119 VanDerWaalsContact O-NE1 3.09Å; P116-W119 HydrophobicContact CB-CD2 4.05Å; P116-W119 HydrophobicContact CB-CE3 4.15Å; P116-W119 HydrophobicContact CB-CH2 4.45Å; P116-W119 HydrophobicContact CB-CZ2 4.31Å; P116-W119 HydrophobicContact CB-CZ3 4.36Å; P116-W119 HydrophobicContact CG-CH2 4.2Å; P116-W119 HydrophobicContact CG-CZ2 3.91Å; P116-W119 WeakPolarHBondContact O-CB 3.5Å; P116-W119 PolarHBondContact O-N 3.15Å; Y117-W119 VanDerWaalsContact C-N 3.34Å; Y117-W119 PolarHBondContact O-N 3.09Å; W119-S121 PolarHBondContact O-N 2.81Å; W119-N122 WeakPolarHBondContact O-CB 3.33Å; W119-N122 PolarHBondContact O-N 3.49Å; W119-N122 VanDerWaalsContact O-N 3.11Å
120P90Very high92.1Very high14 Ų1443.1 Ų43.19%0.09122%0.221CC..G310 helixtrans-66.4-20.5-177.726-34.8000113.8Y26 Q91 Y93 N122 C123Y26-P120 HydrophobicContact CD1-CB 4.42Å; Y26-P120 HydrophobicContact CD1-CG 4Å; Y26-P120 HydrophobicContact CE1-CB 4.09Å; Y26-P120 HydrophobicContact CE1-CG 4.05Å; Y26-P120 HydrophobicContact CE2-CB 4.42Å; Y26-P120 HydrophobicContact CG-CG 4.49Å; Q91-P120 WeakPolarHBondContact O-CG 3.35Å; Y93-P120 HydrophobicContact CE2-CG 3.66Å; Y93-P120 WeakPolarHBondContact OH-CG 3.41Å; P120-N122 PolarHBondContact O-N 3.44Å; P120-C123 WeakPolarHBondContact O-CA 3.29Å; P120-C123 PolarHBondContact O-N 3.43Å
121S88.3Confident92.1Very high23 Ų2340.5 Ų40.516%0.16121%0.209CC..G310 helixtrans-60-22.9171.353.40000113.5M23 E30 W119 C123M23-S121 WeakPolarHBondContact CE-O 3.47Å; E30-S121 WeakPolarHBondContact OE1-CB 3.38Å; E30-S121 PolarHBondContact OE1-OG 3.12Å; W119-S121 PolarHBondContact O-N 2.81Å; S121-C123 PolarHBondContact O-N 2.7Å; S121-C123 VanDerWaalsContact O-N 3.07Å; S121-C123 PolarHBondContact O-SG 3.49Å; S121-C123 VanDerWaalsContact O-SG 3.36Å
122N85.7Confident92.1Very high49 Ų4940.4 Ų40.426%0.26221%0.209SC..G310 helixtrans-68.6-2.2171.3-69.7-42.6000113.6P116 Y117 W119 P120P116-N122 PolarHBondContact O-ND2 3.42Å; Y117-N122 PolarHBondContact O-ND2 3.24Å; W119-N122 WeakPolarHBondContact O-CB 3.33Å; W119-N122 PolarHBondContact O-N 3.49Å; W119-N122 VanDerWaalsContact O-N 3.11Å; P120-N122 PolarHBondContact O-N 3.44Å
123C78.1Confident92Very high49 Ų4939.6 Ų39.633%0.33121%0.206SC..  trans56.350.6176.6-59.10000111.9P120 S121P120-C123 WeakPolarHBondContact O-CA 3.29Å; P120-C123 PolarHBondContact O-N 3.43Å; S121-C123 PolarHBondContact O-N 2.7Å; S121-C123 VanDerWaalsContact O-N 3.07Å; S121-C123 PolarHBondContact O-SG 3.49Å; S121-C123 VanDerWaalsContact O-SG 3.36Å
124W81.3Confident92Very high23 Ų2338.7 Ų38.79%0.08720%0.202CC..  trans-64133.4178.1-71.8110.1000111.7Y117 F199 K231 V233Y117-W124 HydrophobicContact CD1-CZ2 4.29Å; Y117-W124 HydrophobicContact CD2-CZ2 4.26Å; Y117-W124 HydrophobicContact CE1-CH2 4.07Å; Y117-W124 AromaticContact CE1-CZ2 3.87Å; Y117-W124 HydrophobicContact CE1-CZ2 3.87Å; Y117-W124 AromaticContact CE2-CH2 3.92Å; Y117-W124 HydrophobicContact CE2-CH2 3.92Å; Y117-W124 AromaticContact CE2-CZ2 3.85Å; Y117-W124 HydrophobicContact CE2-CZ2 3.85Å; Y117-W124 HydrophobicContact CG-CZ2 4.48Å; Y117-W124 AromaticContact CZ-CH2 3.53Å; Y117-W124 AromaticContact CZ-CZ2 3.65Å; Y117-W124 WeakPolarHBondContact O-CZ2 3.44Å; Y117-W124 PolarHBondContact O-NE1 3.02Å; Y117-W124 WeakPolarHBondContact OH-CH2 3.25Å; W124-F199 HydrophobicContact CB-CE2 4.01Å; W124-F199 HydrophobicContact CB-CZ 4.27Å; W124-F199 AromaticContact CD1-CE2 3.8Å; W124-F199 AromaticContact CD2-CE2 3.99Å; W124-F199 HydrophobicContact CD2-CE2 3.99Å; W124-F199 HydrophobicContact CD2-CZ 4.3Å; W124-F199 AromaticContact CG-CE2 3.68Å; W124-F199 HydrophobicContact CG-CE2 3.68Å; W124-F199 HydrophobicContact CG-CZ 4.2Å; W124-K231 HydrophobicContact CE3-CB 3.92Å; W124-K231 HydrophobicContact CH2-CB 4.25Å; W124-K231 HydrophobicContact CZ3-CB 3.59Å; W124-K231 WeakPolarHBondContact CZ3-O 3.43Å; W124-V233 HydrophobicContact CE3-CG2 4.04Å; W124-V233 HydrophobicContact CZ3-CG2 3.9Å
125E82.3Confident91.9Very high128 Ų12838.5 Ų38.560%0.59820%0.201SC*.  trans-128.568.4169.9-70.2-172.217100109.1E127E125-E127 PolarHBondContact O-N 3.32Å
126P88.7Confident91.9Very high11 Ų1137.6 Ų37.67%0.07119%0.193CC..  trans-68.7133.1-171.427.9-33.8000111.8F199 W200 H203 R204 V233P126-F199 HydrophobicContact CB-CE1 4.15Å; P126-F199 HydrophobicContact CB-CZ 4.03Å; P126-F199 HydrophobicContact CG-CE1 4.2Å; P126-F199 HydrophobicContact CG-CZ 3.92Å; P126-W200 HydrophobicContact CB-CH2 3.62Å; P126-W200 HydrophobicContact CB-CZ3 3.79Å; P126-W200 HydrophobicContact CG-CH2 4.36Å; P126-W200 HydrophobicContact CG-CZ3 4.03Å; P126-H203 VanDerWaalsContact CD-CD2 3.41Å; P126-H203 WeakPolarHBondContact CD-CD2 3.41Å; P126-H203 HydrophobicContact CG-CB 3.68Å; P126-H203 VanDerWaalsContact CG-CD2 3.41Å; P126-H203 WeakPolarHBondContact CG-CD2 3.38Å; P126-R204 PolarHBondContact O-NH2 3.23Å; P126-V233 HydrophobicContact CB-CG2 4.25Å
127E92.1Very high91.9Very high94 Ų9433.9 Ų33.944%0.43917%0.169SC..  trans-81.5163.9-175.6-62.1-167.7169.500112E125 T129 D130 Y131E125-E127 PolarHBondContact O-N 3.32Å; E127-T129 PolarHBondContact O-N 3.5Å; E127-D130 PolarHBondContact N-OD2 2.97Å; E127-D130 WeakPolarHBondContact O-CB 3.49Å; E127-D130 PolarHBondContact O-N 3.08Å; E127-Y131 PolarHBondContact O-N 3.39Å
128N94.9Very high92Very high78 Ų7828.7 Ų28.742%0.41715%0.148SC..Hα-helixtrans-64.6-26.6174.2-74.2-18.5000112.6A132 L159 F163 R204N128-A132 WeakPolarHBondContact O-CB 3.45Å; N128-A132 PolarHBondContact O-N 3.25Å; N128-L159 HydrophobicContact CB-CD2 3.82Å; N128-F163 HydrophobicContact CB-CE2 3.91Å; N128-F163 HydrophobicContact CB-CZ 3.8Å; N128-R204 PolarHBondContact OD1-NH2 3.44Å
129T95.1Very high91.9Very high47 Ų4730.5 Ų30.529%0.28816%0.161SC..Hα-helixtrans-65.3-44.7173.3-47.50000110.7E127 Y131 A132 I133 I170E127-T129 PolarHBondContact O-N 3.5Å; T129-Y131 VanDerWaalsContact C-N 3.33Å; T129-Y131 PolarHBondContact O-N 3.07Å; T129-A132 WeakPolarHBondContact O-CB 3.44Å; T129-A132 PolarHBondContact O-N 3.35Å; T129-I133 HydrophobicContact CG2-CD1 4.43Å; T129-I133 WeakPolarHBondContact O-CG1 3.28Å; T129-I133 PolarHBondContact O-N 3.42Å; T129-I170 HydrophobicContact CG2-CD1 4.45Å; T129-I170 HydrophobicContact CG2-CG1 4.24Å
130D94.9Very high91.8Very high6 Ų631.1 Ų31.13%0.03217%0.166CC..Hα-helixtrans-59.9-45.2177-60.7-53.9000110.5E127 A132 I133 Y134 W200 S232 Y234E127-D130 PolarHBondContact N-OD2 2.97Å; E127-D130 WeakPolarHBondContact O-CB 3.49Å; E127-D130 PolarHBondContact O-N 3.08Å; D130-A132 VanDerWaalsContact C-N 3.32Å; D130-A132 PolarHBondContact O-N 3.47Å; D130-I133 WeakPolarHBondContact O-CB 3.26Å; D130-I133 PolarHBondContact O-N 2.65Å; D130-Y134 PolarHBondContact O-N 3.23Å; D130-W200 HydrophobicContact CB-CH2 3.75Å; D130-W200 HydrophobicContact CB-CZ2 3.9Å; D130-S232 PolarHBondContact OD1-OG 2.76Å; D130-Y234 HydrophobicContact CB-CD2 3.77Å; D130-Y234 HydrophobicContact CB-CE2 3.98Å; D130-Y234 WeakPolarHBondContact O-CE2 3.42Å
131Y97.2Very high91.5Very high3 Ų331.4 Ų31.41%0.01217%0.166CC..Hα-helixtrans-65.1-36.3178.8-169.6-137.3000112.5E127 T129 Y134 L135 N155 L159 W200 R204E127-Y131 PolarHBondContact O-N 3.39Å; T129-Y131 VanDerWaalsContact C-N 3.33Å; T129-Y131 PolarHBondContact O-N 3.07Å; Y131-Y134 AromaticContact CD2-CD1 3.93Å; Y131-Y134 HydrophobicContact CD2-CD1 3.93Å; Y131-Y134 AromaticContact CE2-CD1 3.87Å; Y131-Y134 HydrophobicContact CE2-CD1 3.87Å; Y131-Y134 HydrophobicContact CE2-CE1 4.29Å; Y131-Y134 WeakPolarHBondContact O-CB 3.48Å; Y131-Y134 PolarHBondContact O-N 3.03Å; Y131-L135 HydrophobicContact CD1-CD1 4.06Å; Y131-L135 HydrophobicContact CD2-CD1 4.43Å; Y131-L135 HydrophobicContact CD2-CG 4.17Å; Y131-L135 HydrophobicContact CE1-CD1 3.67Å; Y131-L135 HydrophobicContact CE1-CG 4.37Å; Y131-L135 HydrophobicContact CE2-CD1 4.07Å; Y131-L135 HydrophobicContact CE2-CD2 3.92Å; Y131-L135 HydrophobicContact CE2-CG 3.87Å; Y131-L135 HydrophobicContact CG-CD1 4.42Å; Y131-L135 WeakPolarHBondContact O-CG 3.2Å; Y131-L135 PolarHBondContact O-N 3.09Å; Y131-N155 HydrophobicContact CE1-CB 3.94Å; Y131-L159 HydrophobicContact CD1-CD1 3.74Å; Y131-L159 HydrophobicContact CE1-CD1 4.37Å; Y131-L159 HydrophobicContact CG-CD1 4.44Å; Y131-W200 VanDerWaalsContact CA-CH2 3.49Å; Y131-W200 AromaticContact CD2-CD2 3.6Å; Y131-W200 HydrophobicContact CD2-CD2 3.6Å; Y131-W200 AromaticContact CD2-CE3 3.42Å; Y131-W200 HydrophobicContact CD2-CE3 3.42Å; Y131-W200 VanDerWaalsContact CD2-CE3 3.42Å; Y131-W200 HydrophobicContact CD2-CG 4.14Å; Y131-W200 HydrophobicContact CD2-CH2 4.25Å; Y131-W200 HydrophobicContact CD2-CZ2 4.41Å; Y131-W200 AromaticContact CD2-CZ3 3.78Å; Y131-W200 HydrophobicContact CD2-CZ3 3.78Å; Y131-W200 HydrophobicContact CE2-CB 4.32Å; Y131-W200 HydrophobicContact CE2-CD2 4.18Å; Y131-W200 HydrophobicContact CE2-CE3 4.1Å; Y131-W200 HydrophobicContact CE2-CG 4.3Å; Y131-W200 HydrophobicContact CG-CE3 4.05Å; Y131-W200 HydrophobicContact CG-CH2 4.35Å; Y131-W200 AromaticContact CG-CZ3 3.94Å; Y131-W200 HydrophobicContact CG-CZ3 3.94Å; Y131-W200 VanDerWaalsContact N-CH2 3.3Å; Y131-R204 HydrophobicContact CD1-CG 3.79Å; Y131-R204 HydrophobicContact CD2-CG 4Å; Y131-R204 HydrophobicContact CE1-CB 4.02Å; Y131-R204 HydrophobicContact CE1-CG 3.8Å; Y131-R204 HydrophobicContact CE2-CB 4.02Å; Y131-R204 HydrophobicContact CE2-CG 4.01Å; Y131-R204 HydrophobicContact CG-CG 3.91Å
132A97.3Very high91.2Very high0 Ų037.6 Ų37.60%020%0.197CC..Hα-helixtrans-64-41174.900000112N128 T129 D130 C136 L159 F163 W167 I170N128-A132 WeakPolarHBondContact O-CB 3.45Å; N128-A132 PolarHBondContact O-N 3.25Å; T129-A132 WeakPolarHBondContact O-CB 3.44Å; T129-A132 PolarHBondContact O-N 3.35Å; D130-A132 VanDerWaalsContact C-N 3.32Å; D130-A132 PolarHBondContact O-N 3.47Å; A132-C136 WeakPolarHBondContact O-CB 3.26Å; A132-C136 PolarHBondContact O-N 2.9Å; A132-L159 HydrophobicContact CB-CB 4.17Å; A132-L159 HydrophobicContact CB-CD1 4.09Å; A132-F163 HydrophobicContact CB-CD2 4.34Å; A132-W167 HydrophobicContact CB-CZ3 4.29Å; A132-I170 HydrophobicContact CB-CD1 4.06Å; A132-I170 HydrophobicContact CB-CG2 4.02Å
133I96.6Very high91.1Very high3 Ų338 Ų382%0.01520%0.197CC..Hα-helixtrans-61.2-47.2174.6-64.3162.7000109.9T129 D130 C136 K137 I170 Q173 A174 Y234T129-I133 HydrophobicContact CG2-CD1 4.43Å; T129-I133 WeakPolarHBondContact O-CG1 3.28Å; T129-I133 PolarHBondContact O-N 3.42Å; D130-I133 WeakPolarHBondContact O-CB 3.26Å; D130-I133 PolarHBondContact O-N 2.65Å; I133-C136 PolarHBondContact O-N 2.76Å; I133-K137 WeakPolarHBondContact O-CB 3.11Å; I133-K137 PolarHBondContact O-N 3.38Å; I133-I170 HydrophobicContact CG1-CG2 3.95Å; I133-Q173 HydrophobicContact CD1-CB 4.24Å; I133-Q173 HydrophobicContact CG1-CB 4.35Å; I133-Q173 HydrophobicContact CG2-CB 4.48Å; I133-A174 HydrophobicContact CG2-CB 4.22Å; I133-Y234 HydrophobicContact CB-CD2 4.21Å; I133-Y234 HydrophobicContact CB-CE2 4.32Å; I133-Y234 HydrophobicContact CD1-CD2 4.18Å; I133-Y234 HydrophobicContact CD1-CG 4.41Å; I133-Y234 HydrophobicContact CG2-CD1 4.43Å; I133-Y234 HydrophobicContact CG2-CD2 4.23Å; I133-Y234 HydrophobicContact CG2-CE2 4.37Å; I133-Y234 HydrophobicContact CG2-CG 4.25Å
134Y97Very high91.4Very high3 Ų339.2 Ų39.21%0.01221%0.21CC..Hα-helixtrans-56.5-53177.8171-108.7000112.7D130 Y131 K137 R138 E196 R197 W200 Y234D130-Y134 PolarHBondContact O-N 3.23Å; Y131-Y134 AromaticContact CD2-CD1 3.93Å; Y131-Y134 HydrophobicContact CD2-CD1 3.93Å; Y131-Y134 AromaticContact CE2-CD1 3.87Å; Y131-Y134 HydrophobicContact CE2-CD1 3.87Å; Y131-Y134 HydrophobicContact CE2-CE1 4.29Å; Y131-Y134 WeakPolarHBondContact O-CB 3.48Å; Y131-Y134 PolarHBondContact O-N 3.03Å; Y134-K137 WeakPolarHBondContact O-CB 3.3Å; Y134-K137 PolarHBondContact O-N 2.87Å; Y134-R138 HydrophobicContact CE2-CG 4.3Å; Y134-R138 PolarHBondContact O-N 3.5Å; Y134-R138 VanDerWaalsContact OH-CD 3.27Å; Y134-R138 WeakPolarHBondContact OH-CD 3.26Å; Y134-R138 PolarHBondContact OH-NH1 3.27Å; Y134-R138 VanDerWaalsContact OH-NH1 3.1Å; Y134-E196 HydrophobicContact CD2-CG 3.85Å; Y134-E196 HydrophobicContact CE2-CB 4.48Å; Y134-E196 HydrophobicContact CE2-CG 3.84Å; Y134-R197 VanDerWaalsContact OH-CA 3.27Å; Y134-R197 WeakPolarHBondContact OH-CA 3.38Å; Y134-R197 WeakPolarHBondContact OH-CB 3.38Å; Y134-W200 HydrophobicContact CD1-CB 4.37Å; Y134-W200 AromaticContact CD1-CD1 3.42Å; Y134-W200 VanDerWaalsContact CD1-CD1 3.42Å; Y134-W200 HydrophobicContact CD1-CD2 4.36Å; Y134-W200 AromaticContact CD1-CG 3.81Å; Y134-W200 HydrophobicContact CD1-CG 3.81Å; Y134-W200 AromaticContact CD1-NE1 3.77Å; Y134-W200 AromaticContact CD2-CD1 3.4Å; Y134-W200 VanDerWaalsContact CD2-CD1 3.4Å; Y134-W200 HydrophobicContact CD2-CG 4.49Å; Y134-W200 AromaticContact CD2-NE1 3.49Å; Y134-W200 HydrophobicContact CE1-CB 4.06Å; Y134-W200 AromaticContact CE1-CD1 3.63Å; Y134-W200 AromaticContact CE1-CG 3.94Å; Y134-W200 HydrophobicContact CE1-CG 3.94Å; Y134-W200 AromaticContact CE2-CD1 3.6Å; Y134-W200 AromaticContact CG-CD1 3.3Å; Y134-W200 HydrophobicContact CG-CG 4.1Å; Y134-W200 AromaticContact CG-NE1 3.25Å; Y134-W200 VanDerWaalsContact CG-NE1 3.25Å; Y134-W200 AromaticContact CZ-CD1 3.7Å; Y134-Y234 WeakPolarHBondContact CB-OH 3.41Å
135L97.1Very high91.4Very high0 Ų043.4 Ų43.40%023%0.226CC..Hα-helixtrans-64.6-43.5-179.3-67.9179.4000111.3Y131 K137 R138 T139 L148 E152 N155 L156 L159Y131-L135 HydrophobicContact CD1-CD1 4.06Å; Y131-L135 HydrophobicContact CD2-CD1 4.43Å; Y131-L135 HydrophobicContact CD2-CG 4.17Å; Y131-L135 HydrophobicContact CE1-CD1 3.67Å; Y131-L135 HydrophobicContact CE1-CG 4.37Å; Y131-L135 HydrophobicContact CE2-CD1 4.07Å; Y131-L135 HydrophobicContact CE2-CD2 3.92Å; Y131-L135 HydrophobicContact CE2-CG 3.87Å; Y131-L135 HydrophobicContact CG-CD1 4.42Å; Y131-L135 WeakPolarHBondContact O-CG 3.2Å; Y131-L135 PolarHBondContact O-N 3.09Å; L135-K137 PolarHBondContact O-N 3.26Å; L135-R138 PolarHBondContact O-N 3.49Å; L135-T139 WeakPolarHBondContact O-CG2 3.37Å; L135-T139 PolarHBondContact O-N 3.49Å; L135-T139 VanDerWaalsContact O-N 3.15Å; L135-L148 HydrophobicContact CD2-CD2 3.86Å; L135-E152 HydrophobicContact CD2-CB 3.95Å; L135-E152 HydrophobicContact CD2-CG 4.41Å; L135-N155 HydrophobicContact CD1-CB 4.23Å; L135-L156 HydrophobicContact CB-CB 4.38Å; L135-L156 HydrophobicContact CB-CD1 3.86Å; L135-L156 HydrophobicContact CB-CG 4.49Å; L135-L156 HydrophobicContact CD1-CB 3.98Å; L135-L159 HydrophobicContact CD1-CD1 4.1Å
136C96.3Very high91.6Very high3 Ų338 Ų382%0.0220%0.201CC..Hα-helixtrans-58.3-48.6174.9-171.40000110.7A132 I133 R138 T139 M140 W167 I170 A174A132-C136 WeakPolarHBondContact O-CB 3.26Å; A132-C136 PolarHBondContact O-N 2.9Å; I133-C136 PolarHBondContact O-N 2.76Å; C136-R138 VanDerWaalsContact C-N 3.27Å; C136-R138 PolarHBondContact O-N 2.82Å; C136-T139 PolarHBondContact O-N 3.32Å; C136-T139 VanDerWaalsContact O-N 3.15Å; C136-T139 PolarHBondContact O-OG1 2.83Å; C136-M140 WeakPolarHBondContact O-CG 3.48Å; C136-M140 PolarHBondContact O-N 3.49Å; C136-W167 HydrophobicContact CB-CH2 4.34Å; C136-W167 HydrophobicContact CB-CZ2 4.38Å; C136-I170 HydrophobicContact CB-CG2 4.49Å; C136-A174 HydrophobicContact CB-CB 3.95Å
137K95.1Very high91.7Very high3 Ų344 Ų441%0.01323%0.229CC..Hα-helixtrans-54.4-42.6177.1-170.9-178.373.5165.10111.8I133 Y134 L135 M140 Q141 A174 Q177 V178 D181 E196I133-K137 WeakPolarHBondContact O-CB 3.11Å; I133-K137 PolarHBondContact O-N 3.38Å; Y134-K137 WeakPolarHBondContact O-CB 3.3Å; Y134-K137 PolarHBondContact O-N 2.87Å; L135-K137 PolarHBondContact O-N 3.26Å; K137-M140 PolarHBondContact O-N 2.76Å; K137-Q141 WeakPolarHBondContact O-CG 3.47Å; K137-A174 HydrophobicContact CB-CB 4.14Å; K137-Q177 HydrophobicContact CD-CB 3.81Å; K137-Q177 HydrophobicContact CD-CG 3.63Å; K137-V178 HydrophobicContact CD-CG2 4.5Å; K137-V178 HydrophobicContact CG-CG2 3.54Å; K137-D181 IonicContact NZ-OD2 2.7Å; K137-D181 PolarHBondContact NZ-OD2 3.23Å; K137-D181 VanDerWaalsContact NZ-OD2 3.13Å; K137-E196 WeakPolarHBondContact CE-OE2 3.37Å; K137-E196 IonicContact NZ-OE1 2.71Å; K137-E196 PolarHBondContact NZ-OE1 2.73Å; K137-E196 IonicContact NZ-OE2 3.13Å; K137-E196 PolarHBondContact NZ-OE2 3.4Å
138R94.6Very high91.8Very high12 Ų1241.3 Ų41.35%0.04522%0.217CC..Hα-helixtrans-63.6-44.2178.2-82.7-176.459.6-167.8-7.6113Y134 L135 C136 M140 Q141 L146 E147 L148 E152Y134-R138 HydrophobicContact CE2-CG 4.3Å; Y134-R138 PolarHBondContact O-N 3.5Å; Y134-R138 VanDerWaalsContact OH-CD 3.27Å; Y134-R138 WeakPolarHBondContact OH-CD 3.26Å; Y134-R138 PolarHBondContact OH-NH1 3.27Å; Y134-R138 VanDerWaalsContact OH-NH1 3.1Å; L135-R138 PolarHBondContact O-N 3.49Å; C136-R138 VanDerWaalsContact C-N 3.27Å; C136-R138 PolarHBondContact O-N 2.82Å; R138-M140 PolarHBondContact O-N 3.03Å; R138-Q141 PolarHBondContact O-N 3.23Å; R138-L146 PolarHBondContact NE-O 3.24Å; R138-L146 PolarHBondContact NH2-O 3.48Å; R138-E147 PolarHBondContact NH2-O 3.35Å; R138-L148 HydrophobicContact CB-CD2 3.9Å; R138-E152 IonicContact CZ-OE1 3.63Å; R138-E152 IonicContact CZ-OE2 3.95Å; R138-E152 VanDerWaalsContact CZ-OE2 3.27Å; R138-E152 IonicContact NH1-OE1 3.7Å; R138-E152 PolarHBondContact NH1-OE1 3.35Å; R138-E152 IonicContact NH1-OE2 3.71Å; R138-E152 PolarHBondContact NH1-OE2 3.2Å; R138-E152 IonicContact NH2-OE1 2.79Å; R138-E152 IonicContact NH2-OE2 3.75Å; R138-E152 PolarHBondContact NH2-OE2 2.7Å
139T93.5Very high91.8Very high64 Ų6439.1 Ų39.139%0.39321%0.21SC..Hα-helixtrans-61.3-29.7177.9640000112.9L135 C136 Q141 N142 L148 L156L135-T139 WeakPolarHBondContact O-CG2 3.37Å; L135-T139 PolarHBondContact O-N 3.49Å; L135-T139 VanDerWaalsContact O-N 3.15Å; C136-T139 PolarHBondContact O-N 3.32Å; C136-T139 VanDerWaalsContact O-N 3.15Å; C136-T139 PolarHBondContact O-OG1 2.83Å; T139-Q141 VanDerWaalsContact C-N 3.31Å; T139-Q141 PolarHBondContact O-N 3.35Å; T139-N142 PolarHBondContact O-OD1 3.27Å; T139-L148 HydrophobicContact CG2-CD1 3.54Å; T139-L148 HydrophobicContact CG2-CG 3.99Å; T139-L156 HydrophobicContact CG2-CD2 3.77Å
140M91.7Very high91.9Very high40 Ų4044 Ų4420%0.19723%0.234CC..THydrogen-bonded Turntrans-77.6-12.1-178.4-62171.980.400114.2C136 K137 R138 F171 A174 E175 V178C136-M140 WeakPolarHBondContact O-CG 3.48Å; C136-M140 PolarHBondContact O-N 3.49Å; K137-M140 PolarHBondContact O-N 2.76Å; R138-M140 PolarHBondContact O-N 3.03Å; M140-F171 HydrophobicContact CE-CE1 4.17Å; M140-F171 HydrophobicContact CE-CE2 3.84Å; M140-F171 HydrophobicContact CE-CZ 3.62Å; M140-F171 HydrophobicContact CG-CE2 4.48Å; M140-F171 HydrophobicContact SD-CD2 4.45Å; M140-F171 HydrophobicContact SD-CE2 4.08Å; M140-F171 HydrophobicContact SD-CZ 4.45Å; M140-A174 HydrophobicContact SD-CB 4.03Å; M140-E175 HydrophobicContact CE-CB 3.71Å; M140-E175 HydrophobicContact CE-CG 3.71Å; M140-V178 HydrophobicContact CB-CG2 4.23Å
141Q84.2Confident91.9Very high21 Ų2145.1 Ų45.110%0.09824%0.238CC..THydrogen-bonded Turntrans-86-13.9-174.5-67.4-157.538.300114.3K137 R138 T139 K143 L146K137-Q141 WeakPolarHBondContact O-CG 3.47Å; R138-Q141 PolarHBondContact O-N 3.23Å; T139-Q141 VanDerWaalsContact C-N 3.31Å; T139-Q141 PolarHBondContact O-N 3.35Å; Q141-K143 VanDerWaalsContact C-N 3.32Å; Q141-K143 WeakPolarHBondContact O-CG 3.44Å; Q141-K143 PolarHBondContact O-N 3.39Å; Q141-L146 HydrophobicContact CB-CD1 3.66Å; Q141-L146 HydrophobicContact CG-CD1 3.98Å
142N81.1Confident91.9Very high152 Ų15245 Ų4581%0.81324%0.238SC*.  trans45.550178.4-64.9-14.6000113.7T139T139-N142 PolarHBondContact O-OD1 3.27Å
143K84.4Confident91.9Very high59 Ų5947.2 Ų47.226%0.25726%0.255SS..  trans-127.7129.4177.2-71.1170.3-167.1157.30109.2Q141 R145 L146 E147Q141-K143 VanDerWaalsContact C-N 3.32Å; Q141-K143 WeakPolarHBondContact O-CG 3.44Å; Q141-K143 PolarHBondContact O-N 3.39Å; K143-R145 VanDerWaalsContact C-N 3.27Å; K143-R145 HydrophobicContact CB-CG 4.41Å; K143-R145 PolarHBondContact O-N 2.65Å; K143-R145 VanDerWaalsContact O-N 3.14Å; K143-L146 HydrophobicContact CB-CB 4.44Å; K143-L146 HydrophobicContact CB-CD1 4.36Å; K143-L146 HydrophobicContact CB-CG 4.37Å; K143-L146 HydrophobicContact CD-CD1 4.09Å; K143-L146 WeakPolarHBondContact O-CA 3.44Å; K143-L146 PolarHBondContact O-N 2.87Å; K143-E147 PolarHBondContact O-N 2.87Å
144A83.1Confident91.9Very high74 Ų7453.8 Ų53.861%0.61229%0.286SS*.G310 helixtrans-48.8-44.6178.800000113.7L146 E147A144-L146 PolarHBondContact O-N 3.23Å; A144-E147 WeakPolarHBondContact CA-OE1 3.37Å; A144-E147 WeakPolarHBondContact O-CB 3.49Å; A144-E147 PolarHBondContact O-N 3.25Å; A144-E147 VanDerWaalsContact O-N 3.13Å
145R82.4Confident91.9Very high110 Ų11055 Ų5542%0.41529%0.293SS..G310 helixtrans-63.4-12.117877.4179.6176.495.312.4115.6K143 D193K143-R145 VanDerWaalsContact C-N 3.27Å; K143-R145 HydrophobicContact CB-CG 4.41Å; K143-R145 PolarHBondContact O-N 2.65Å; K143-R145 VanDerWaalsContact O-N 3.14Å; R145-D193 IonicContact CZ-OD2 2.89Å; R145-D193 VanDerWaalsContact CZ-OD2 3.3Å; R145-D193 IonicContact NH1-OD2 2.69Å; R145-D193 PolarHBondContact NH1-OD2 2.89Å; R145-D193 IonicContact NH2-OD2 3.3Å; R145-D193 PolarHBondContact NH2-OD2 3.44Å
146L86.4Confident92Very high15 Ų1555.7 Ų55.78%0.07930%0.297CS..G310 helixtrans-115.31.4-178.7-63.5-179.4000111.9R138 Q141 K143 A144 D193R138-L146 PolarHBondContact NE-O 3.24Å; R138-L146 PolarHBondContact NH2-O 3.48Å; Q141-L146 HydrophobicContact CB-CD1 3.66Å; Q141-L146 HydrophobicContact CG-CD1 3.98Å; K143-L146 HydrophobicContact CB-CB 4.44Å; K143-L146 HydrophobicContact CB-CD1 4.36Å; K143-L146 HydrophobicContact CB-CG 4.37Å; K143-L146 HydrophobicContact CD-CD1 4.09Å; K143-L146 WeakPolarHBondContact O-CA 3.44Å; K143-L146 PolarHBondContact O-N 2.87Å; A144-L146 PolarHBondContact O-N 3.23Å; L146-D193 HydrophobicContact CD2-CB 4.21Å
147E91.3Very high92Very high138 Ų13857.4 Ų57.465%0.64531%0.311SS*.PPolyproline II helixtrans-54141.8173.3-75.8171.9-173.800109.6R138 K143 A144R138-E147 PolarHBondContact NH2-O 3.35Å; K143-E147 PolarHBondContact O-N 2.87Å; A144-E147 WeakPolarHBondContact CA-OE1 3.37Å; A144-E147 WeakPolarHBondContact O-CB 3.49Å; A144-E147 PolarHBondContact O-N 3.25Å; A144-E147 VanDerWaalsContact O-N 3.13Å
148L94.4Very high92.2Very high37 Ų3763.7 Ų63.719%0.19433%0.334CS..PPolyproline II helixtrans-72.1135.9179.8-62.1-172.1000108.9L135 R138 T139 E152 A153 L156L135-L148 HydrophobicContact CD2-CD2 3.86Å; R138-L148 HydrophobicContact CB-CD2 3.9Å; T139-L148 HydrophobicContact CG2-CD1 3.54Å; T139-L148 HydrophobicContact CG2-CG 3.99Å; L148-E152 HydrophobicContact CB-CB 4.04Å; L148-E152 HydrophobicContact CD2-CB 4.29Å; L148-A153 HydrophobicContact CB-CB 4.34Å; L148-L156 HydrophobicContact CD1-CB 4.35Å; L148-L156 HydrophobicContact CD1-CD2 3.63Å
149A94.8Very high92.3Very high32 Ų3263.4 Ų63.426%0.26433%0.334SS..PPolyproline II helixtrans-66.5161.216400000110.2Y151 E152 A153A149-Y151 VanDerWaalsContact C-N 3.3Å; A149-Y151 HydrophobicContact CB-CD1 3.67Å; A149-Y151 HydrophobicContact CB-CE1 3.53Å; A149-Y151 PolarHBondContact O-N 3.22Å; A149-E152 HydrophobicContact CB-CG 4.22Å; A149-E152 PolarHBondContact N-OE2 2.89Å; A149-E152 WeakPolarHBondContact O-CA 3.26Å; A149-E152 WeakPolarHBondContact O-CB 3.29Å; A149-E152 PolarHBondContact O-N 3.27Å; A149-A153 PolarHBondContact O-N 3.41Å
150D95.9Very high92.5Very high150 Ų15064.2 Ų64.280%0.80233%0.333SS*.Hα-helixtrans-55.2-43.9-176.2-64.8-29.8000112.7E152 A153 E154D150-E152 VanDerWaalsContact C-N 3.3Å; D150-E152 PolarHBondContact O-N 2.81Å; D150-A153 PolarHBondContact O-N 3.43Å; D150-E154 PolarHBondContact O-N 3.06Å
151Y96.3Very high92.8Very high28 Ų2870.9 Ų70.911%0.1136%0.356CS..Hα-helixtrans-66.2-31.7177.780.1-85.5000112.7H100 A149 N155 V206 P207H100-Y151 PolarHBondContact ND1-OH 2.68Å; A149-Y151 VanDerWaalsContact C-N 3.3Å; A149-Y151 HydrophobicContact CB-CD1 3.67Å; A149-Y151 HydrophobicContact CB-CE1 3.53Å; A149-Y151 PolarHBondContact O-N 3.22Å; Y151-N155 WeakPolarHBondContact O-CB 3.46Å; Y151-N155 PolarHBondContact O-N 3.37Å; Y151-N155 PolarHBondContact O-ND2 2.84Å; Y151-V206 HydrophobicContact CE1-CG1 4.44Å; Y151-V206 HydrophobicContact CE1-CG2 4.02Å; Y151-P207 HydrophobicContact CD2-CG 4.44Å; Y151-P207 HydrophobicContact CG-CG 4.3Å
152E97.3Very high93.4Very high2 Ų273.4 Ų73.41%0.00938%0.38CS..Hα-helixtrans-72.7-39.5175.8-62.1-173.6117.500110.9H100 L135 R138 L148 A149 D150 N155 L156H100-E152 IonicContact CE1-OE1 3.79Å; H100-E152 IonicContact CE1-OE2 2.67Å; H100-E152 IonicContact NE2-OE2 3.96Å; L135-E152 HydrophobicContact CD2-CB 3.95Å; L135-E152 HydrophobicContact CD2-CG 4.41Å; R138-E152 IonicContact CZ-OE1 3.63Å; R138-E152 IonicContact CZ-OE2 3.95Å; R138-E152 VanDerWaalsContact CZ-OE2 3.27Å; R138-E152 IonicContact NH1-OE1 3.7Å; R138-E152 PolarHBondContact NH1-OE1 3.35Å; R138-E152 IonicContact NH1-OE2 3.71Å; R138-E152 PolarHBondContact NH1-OE2 3.2Å; R138-E152 IonicContact NH2-OE1 2.79Å; R138-E152 IonicContact NH2-OE2 3.75Å; R138-E152 PolarHBondContact NH2-OE2 2.7Å; L148-E152 HydrophobicContact CB-CB 4.04Å; L148-E152 HydrophobicContact CD2-CB 4.29Å; A149-E152 HydrophobicContact CB-CG 4.22Å; A149-E152 PolarHBondContact N-OE2 2.89Å; A149-E152 WeakPolarHBondContact O-CA 3.26Å; A149-E152 WeakPolarHBondContact O-CB 3.29Å; A149-E152 PolarHBondContact O-N 3.27Å; D150-E152 VanDerWaalsContact C-N 3.3Å; D150-E152 PolarHBondContact O-N 2.81Å; E152-N155 PolarHBondContact O-N 3.38Å; E152-L156 WeakPolarHBondContact O-CB 3.12Å; E152-L156 PolarHBondContact O-N 3.3Å
153A96.8Very high94.1Very high45 Ų4568.3 Ų68.337%0.37235%0.351SS..Hα-helixtrans-64.5-41.9174.800000111.6L148 A149 D150 L156 A157L148-A153 HydrophobicContact CB-CB 4.34Å; A149-A153 PolarHBondContact O-N 3.41Å; D150-A153 PolarHBondContact O-N 3.43Å; A153-L156 PolarHBondContact O-N 2.97Å; A153-A157 PolarHBondContact O-N 3.45Å
154E97.1Very high94.7Very high142 Ų14268.8 Ų68.866%0.66437%0.366SS*.Hα-helixtrans-62-44.7173.3-172.4-176.7171.500111.5D150 L156 A157 R158D150-E154 PolarHBondContact O-N 3.06Å; E154-L156 PolarHBondContact O-N 3.24Å; E154-A157 PolarHBondContact O-N 3.4Å; E154-R158 PolarHBondContact O-N 2.94Å
155N96.9Very high95.3Very high29 Ų2977.1 Ų77.116%0.15538%0.382CS..Hα-helixtrans-59.9-44.7174.8-85.4-43.9000111.9Y131 L135 Y151 E152 A157 R158 L159Y131-N155 HydrophobicContact CE1-CB 3.94Å; L135-N155 HydrophobicContact CD1-CB 4.23Å; Y151-N155 WeakPolarHBondContact O-CB 3.46Å; Y151-N155 PolarHBondContact O-N 3.37Å; Y151-N155 PolarHBondContact O-ND2 2.84Å; E152-N155 PolarHBondContact O-N 3.38Å; N155-A157 PolarHBondContact O-N 3.03Å; N155-R158 WeakPolarHBondContact O-CB 3.16Å; N155-R158 PolarHBondContact O-N 2.98Å; N155-R158 PolarHBondContact OD1-NH2 3.08Å; N155-L159 VanDerWaalsContact O-CG 3.22Å; N155-L159 WeakPolarHBondContact O-CG 3.27Å; N155-L159 PolarHBondContact O-N 2.94Å
156L97.6Very high95.8Very high14 Ų1478.4 Ų78.47%0.07339%0.39CS..Hα-helixtrans-58.8-47.5175.9-178.758.5000111.2L135 T139 L148 E152 A153 E154 R158 L159 Q160 W167L135-L156 HydrophobicContact CB-CB 4.38Å; L135-L156 HydrophobicContact CB-CD1 3.86Å; L135-L156 HydrophobicContact CB-CG 4.49Å; L135-L156 HydrophobicContact CD1-CB 3.98Å; T139-L156 HydrophobicContact CG2-CD2 3.77Å; L148-L156 HydrophobicContact CD1-CB 4.35Å; L148-L156 HydrophobicContact CD1-CD2 3.63Å; E152-L156 WeakPolarHBondContact O-CB 3.12Å; E152-L156 PolarHBondContact O-N 3.3Å; A153-L156 PolarHBondContact O-N 2.97Å; E154-L156 PolarHBondContact O-N 3.24Å; L156-R158 VanDerWaalsContact C-N 3.29Å; L156-R158 PolarHBondContact O-N 3Å; L156-L159 PolarHBondContact O-N 2.91Å; L156-L159 VanDerWaalsContact O-N 3.15Å; L156-Q160 HydrophobicContact CD1-CG 4.38Å; L156-Q160 WeakPolarHBondContact O-CB 3.49Å; L156-Q160 WeakPolarHBondContact O-CG 3.46Å; L156-Q160 PolarHBondContact O-N 3.4Å; L156-W167 HydrophobicContact CD1-CH2 3.56Å; L156-W167 HydrophobicContact CD1-CZ2 4.31Å; L156-W167 HydrophobicContact CD1-CZ3 4.43Å
157A97.8Very high96.3Very high39 Ų3980.1 Ų80.132%0.32240%0.396SS..Hα-helixtrans-61.6-36.8178.100000112.3A153 E154 N155 R161A153-A157 PolarHBondContact O-N 3.45Å; E154-A157 PolarHBondContact O-N 3.4Å; N155-A157 PolarHBondContact O-N 3.03Å; A157-R161 PolarHBondContact O-N 3.21Å; A157-R161 PolarHBondContact O-NE 3.04Å
158R97.7Very high96.5Very high134 Ų13480.9 Ų80.951%0.50640%0.399SS..Hα-helixtrans-66.3-43.7173.5-177.3177.462.5154.2-4.3111.8E154 N155 L156 R161 A162E154-R158 PolarHBondContact O-N 2.94Å; N155-R158 WeakPolarHBondContact O-CB 3.16Å; N155-R158 PolarHBondContact O-N 2.98Å; N155-R158 PolarHBondContact OD1-NH2 3.08Å; L156-R158 VanDerWaalsContact C-N 3.29Å; L156-R158 PolarHBondContact O-N 3Å; R158-R161 PolarHBondContact O-N 2.7Å; R158-A162 WeakPolarHBondContact O-CB 3.4Å; R158-A162 PolarHBondContact O-N 2.94Å
159L97.7Very high96.6Very high7 Ų785.3 Ų85.34%0.03742%0.417CS..Hα-helixtrans-68.4-38.3179.6-67.3165.1000112N128 Y131 A132 L135 N155 L156 R161 A162 F163N128-L159 HydrophobicContact CB-CD2 3.82Å; Y131-L159 HydrophobicContact CD1-CD1 3.74Å; Y131-L159 HydrophobicContact CE1-CD1 4.37Å; Y131-L159 HydrophobicContact CG-CD1 4.44Å; A132-L159 HydrophobicContact CB-CB 4.17Å; A132-L159 HydrophobicContact CB-CD1 4.09Å; L135-L159 HydrophobicContact CD1-CD1 4.1Å; N155-L159 VanDerWaalsContact O-CG 3.22Å; N155-L159 WeakPolarHBondContact O-CG 3.27Å; N155-L159 PolarHBondContact O-N 2.94Å; L156-L159 PolarHBondContact O-N 2.91Å; L156-L159 VanDerWaalsContact O-N 3.15Å; L159-R161 VanDerWaalsContact C-N 3.32Å; L159-R161 PolarHBondContact O-N 3.27Å; L159-A162 PolarHBondContact O-N 2.59Å; L159-F163 HydrophobicContact CB-CD2 4.31Å; L159-F163 HydrophobicContact CD2-CD2 4.28Å; L159-F163 HydrophobicContact CD2-CE2 3.74Å; L159-F163 WeakPolarHBondContact O-CB 3.45Å; L159-F163 WeakPolarHBondContact O-CD2 3.28Å; L159-F163 PolarHBondContact O-N 2.8Å
160Q97.3Very high96.6Very high81 Ų8184 Ų8438%0.37941%0.406SS..Hα-helixtrans-58.2-43.6172.6-78.7176.5-20.800111.8L156 A164 W167L156-Q160 HydrophobicContact CD1-CG 4.38Å; L156-Q160 WeakPolarHBondContact O-CB 3.49Å; L156-Q160 WeakPolarHBondContact O-CG 3.46Å; L156-Q160 PolarHBondContact O-N 3.4Å; Q160-A164 VanDerWaalsContact O-CA 3.28Å; Q160-A164 WeakPolarHBondContact O-CA 3.19Å; Q160-A164 PolarHBondContact O-N 3.39Å; Q160-W167 HydrophobicContact CB-CE3 4.33Å; Q160-W167 HydrophobicContact CB-CZ3 4.28Å; Q160-W167 HydrophobicContact CG-CD2 3.94Å; Q160-W167 HydrophobicContact CG-CE3 3.75Å; Q160-W167 HydrophobicContact CG-CH2 3.35Å; Q160-W167 HydrophobicContact CG-CZ2 3.51Å; Q160-W167 HydrophobicContact CG-CZ3 3.45Å; Q160-W167 VanDerWaalsContact CG-CZ3 3.45Å; Q160-W167 VanDerWaalsContact NE2-CZ2 3.32Å
161R97.4Very high96.6Very high180 Ų18081.2 Ų81.268%0.67939%0.387SS*.Hα-helixtrans-64.5-45.7173.9-75.2-178.6-78.2123.5-10.2111.8A157 R158 L159 F163A157-R161 PolarHBondContact O-N 3.21Å; A157-R161 PolarHBondContact O-NE 3.04Å; R158-R161 PolarHBondContact O-N 2.7Å; L159-R161 VanDerWaalsContact C-N 3.32Å; L159-R161 PolarHBondContact O-N 3.27Å; R161-F163 PolarHBondContact O-N 2.78Å
162A96.8Very high96.6Very high73 Ų7384.5 Ų84.560%0.60340%0.404SS*.Hα-helixtrans-66.1-35.4-178.900000113.2R158 L159R158-A162 WeakPolarHBondContact O-CB 3.4Å; R158-A162 PolarHBondContact O-N 2.94Å; L159-A162 PolarHBondContact O-N 2.59Å
163F96.9Very high96.5Very high45 Ų4588.7 Ų88.720%0.19742%0.424CS..THydrogen-bonded Turntrans-110.823.6-175.7-59.4-52.8000113.7N128 A132 L159 R161 R165 K166 W167 I170N128-F163 HydrophobicContact CB-CE2 3.91Å; N128-F163 HydrophobicContact CB-CZ 3.8Å; A132-F163 HydrophobicContact CB-CD2 4.34Å; L159-F163 HydrophobicContact CB-CD2 4.31Å; L159-F163 HydrophobicContact CD2-CD2 4.28Å; L159-F163 HydrophobicContact CD2-CE2 3.74Å; L159-F163 WeakPolarHBondContact O-CB 3.45Å; L159-F163 WeakPolarHBondContact O-CD2 3.28Å; L159-F163 PolarHBondContact O-N 2.8Å; R161-F163 PolarHBondContact O-N 2.78Å; F163-R165 PolarHBondContact O-N 2.92Å; F163-K166 CarbonylContact O-C 3.29Å; F163-K166 WeakPolarHBondContact O-CA 3.1Å; F163-K166 PolarHBondContact O-N 3.48Å; F163-W167 PolarHBondContact O-N 3.41Å; F163-I170 HydrophobicContact CB-CD1 3.71Å; F163-I170 HydrophobicContact CD2-CD1 3.95Å; F163-I170 HydrophobicContact CG-CD1 4.01Å
164A96.4Very high96.4Very high69 Ų6986.5 Ų86.557%0.5741%0.406SS*.G310 helixtrans-49.4-41.1-17400000113.7Q160 K166Q160-A164 VanDerWaalsContact O-CA 3.28Å; Q160-A164 WeakPolarHBondContact O-CA 3.19Å; Q160-A164 PolarHBondContact O-N 3.39Å; A164-K166 PolarHBondContact O-N 3.08Å
165R95.3Very high96.3Very high250 Ų25083.2 Ų83.294%0.94339%0.391SS*.G310 helixtrans-74-20.6179-65.5-177.4177.6173.9-0.8114.8F163F163-R165 PolarHBondContact O-N 2.92Å
166K94.4Very high96.2Very high137 Ų13784.1 Ų84.160%0.59640%0.402SS*.G310 helixtrans-108.93.9-179.6-65.3-175.8177.9-177.20112.3F163 A164 E168 F169 I170F163-K166 CarbonylContact O-C 3.29Å; F163-K166 WeakPolarHBondContact O-CA 3.1Å; F163-K166 PolarHBondContact O-N 3.48Å; A164-K166 PolarHBondContact O-N 3.08Å; K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 3.22Å; K166-F169 WeakPolarHBondContact O-CB 3.33Å; K166-F169 PolarHBondContact O-N 3.4Å; K166-F169 VanDerWaalsContact O-N 3.09Å; K166-I170 PolarHBondContact O-N 2.95Å
167W96.4Very high96Very high51 Ų5186 Ų8619%0.19341%0.41CS..Hα-helixtrans-62.2-37.4-170.9-171.1-103.4000112.7A132 C136 L156 Q160 F163 F169 I170 F171A132-W167 HydrophobicContact CB-CZ3 4.29Å; C136-W167 HydrophobicContact CB-CH2 4.34Å; C136-W167 HydrophobicContact CB-CZ2 4.38Å; L156-W167 HydrophobicContact CD1-CH2 3.56Å; L156-W167 HydrophobicContact CD1-CZ2 4.31Å; L156-W167 HydrophobicContact CD1-CZ3 4.43Å; Q160-W167 HydrophobicContact CB-CE3 4.33Å; Q160-W167 HydrophobicContact CB-CZ3 4.28Å; Q160-W167 HydrophobicContact CG-CD2 3.94Å; Q160-W167 HydrophobicContact CG-CE3 3.75Å; Q160-W167 HydrophobicContact CG-CH2 3.35Å; Q160-W167 HydrophobicContact CG-CZ2 3.51Å; Q160-W167 HydrophobicContact CG-CZ3 3.45Å; Q160-W167 VanDerWaalsContact CG-CZ3 3.45Å; Q160-W167 VanDerWaalsContact NE2-CZ2 3.32Å; F163-W167 PolarHBondContact O-N 3.41Å; W167-F169 VanDerWaalsContact C-N 3.29Å; W167-F169 PolarHBondContact O-N 3.01Å; W167-I170 HydrophobicContact CE3-CB 4.48Å; W167-I170 HydrophobicContact CE3-CD1 4.08Å; W167-I170 HydrophobicContact CE3-CG2 4.39Å; W167-I170 HydrophobicContact CH2-CG2 4.31Å; W167-I170 HydrophobicContact CZ3-CD1 4.29Å; W167-I170 HydrophobicContact CZ3-CG2 4.1Å; W167-I170 PolarHBondContact O-N 3.2Å; W167-F171 WeakPolarHBondContact O-CB 3.42Å; W167-F171 PolarHBondContact O-N 3.35Å
168E95.9Very high95.7Very high153 Ų15384.5 Ų84.572%0.71540%0.397SS*.Hα-helixtrans-58.7-40175.6-67.1-175.4167.400112.2K166 F171 M172K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 3.22Å; E168-F171 PolarHBondContact O-N 2.9Å; E168-M172 WeakPolarHBondContact O-CB 3.38Å; E168-M172 WeakPolarHBondContact O-CG 3.34Å; E168-M172 PolarHBondContact O-N 2.93Å
169F95.4Very high95.5Very high131 Ų13183.4 Ų83.458%0.57540%0.396SS*.Hα-helixtrans-66.8-42.4176.2-63.6-74.7000112.2K166 W167 F171 M172 Q173K166-F169 WeakPolarHBondContact O-CB 3.33Å; K166-F169 PolarHBondContact O-N 3.4Å; K166-F169 VanDerWaalsContact O-N 3.09Å; W167-F169 VanDerWaalsContact C-N 3.29Å; W167-F169 PolarHBondContact O-N 3.01Å; F169-F171 VanDerWaalsContact C-N 3.31Å; F169-F171 PolarHBondContact O-N 3.39Å; F169-M172 HydrophobicContact CD1-CE 3.58Å; F169-M172 HydrophobicContact CE1-CE 4.03Å; F169-M172 HydrophobicContact CG-CE 4.22Å; F169-M172 PolarHBondContact O-N 3.19Å; F169-Q173 WeakPolarHBondContact O-CG 3.35Å; F169-Q173 PolarHBondContact O-N 3.29Å
170I95.6Very high95.2Very high4 Ų486.8 Ų86.82%0.02141%0.414CS..Hα-helixtrans-60.1-45.1175.5-67.5170.6000110T129 A132 I133 C136 F163 K166 W167 Q173 A174T129-I170 HydrophobicContact CG2-CD1 4.45Å; T129-I170 HydrophobicContact CG2-CG1 4.24Å; A132-I170 HydrophobicContact CB-CD1 4.06Å; A132-I170 HydrophobicContact CB-CG2 4.02Å; I133-I170 HydrophobicContact CG1-CG2 3.95Å; C136-I170 HydrophobicContact CB-CG2 4.49Å; F163-I170 HydrophobicContact CB-CD1 3.71Å; F163-I170 HydrophobicContact CD2-CD1 3.95Å; F163-I170 HydrophobicContact CG-CD1 4.01Å; K166-I170 PolarHBondContact O-N 2.95Å; W167-I170 HydrophobicContact CE3-CB 4.48Å; W167-I170 HydrophobicContact CE3-CD1 4.08Å; W167-I170 HydrophobicContact CE3-CG2 4.39Å; W167-I170 HydrophobicContact CH2-CG2 4.31Å; W167-I170 HydrophobicContact CZ3-CD1 4.29Å; W167-I170 HydrophobicContact CZ3-CG2 4.1Å; W167-I170 PolarHBondContact O-N 3.2Å; I170-Q173 PolarHBondContact O-N 3.45Å; I170-A174 WeakPolarHBondContact O-CB 3.32Å; I170-A174 PolarHBondContact O-N 2.73Å
171F96.4Very high94.8Very high92 Ų9283.4 Ų83.440%0.40440%0.398SS..Hα-helixtrans-63.2-45.9177.9-175.1-90.2000111.9M140 W167 E168 F169 Q173 A174 E175M140-F171 HydrophobicContact CE-CE1 4.17Å; M140-F171 HydrophobicContact CE-CE2 3.84Å; M140-F171 HydrophobicContact CE-CZ 3.62Å; M140-F171 HydrophobicContact CG-CE2 4.48Å; M140-F171 HydrophobicContact SD-CD2 4.45Å; M140-F171 HydrophobicContact SD-CE2 4.08Å; M140-F171 HydrophobicContact SD-CZ 4.45Å; W167-F171 WeakPolarHBondContact O-CB 3.42Å; W167-F171 PolarHBondContact O-N 3.35Å; E168-F171 PolarHBondContact O-N 2.9Å; F169-F171 VanDerWaalsContact C-N 3.31Å; F169-F171 PolarHBondContact O-N 3.39Å; F171-Q173 VanDerWaalsContact C-N 3.35Å; F171-Q173 PolarHBondContact O-N 2.93Å; F171-A174 PolarHBondContact O-N 3.46Å; F171-E175 WeakPolarHBondContact O-CB 3.2Å; F171-E175 PolarHBondContact O-N 3.24Å
172M95Very high94.4Very high97 Ų9782.7 Ų82.748%0.47840%0.395SS..Hα-helixtrans-60.4-42.5176.6-75.7-172.4-69.300112.2E168 F169 E175 A176E168-M172 WeakPolarHBondContact O-CB 3.38Å; E168-M172 WeakPolarHBondContact O-CG 3.34Å; E168-M172 PolarHBondContact O-N 2.93Å; F169-M172 HydrophobicContact CD1-CE 3.58Å; F169-M172 HydrophobicContact CE1-CE 4.03Å; F169-M172 HydrophobicContact CG-CE 4.22Å; F169-M172 PolarHBondContact O-N 3.19Å; M172-E175 PolarHBondContact O-N 3.26Å; M172-A176 WeakPolarHBondContact O-CB 3.42Å; M172-A176 PolarHBondContact O-N 3.03Å
173Q95.7Very high94.2Very high89 Ų8987.9 Ų87.942%0.41640%0.404SS..Hα-helixtrans-65.2-44.1176.3-75.8-174.9-34.200112I133 F169 I170 F171 E175 A176 Q177I133-Q173 HydrophobicContact CD1-CB 4.24Å; I133-Q173 HydrophobicContact CG1-CB 4.35Å; I133-Q173 HydrophobicContact CG2-CB 4.48Å; F169-Q173 WeakPolarHBondContact O-CG 3.35Å; F169-Q173 PolarHBondContact O-N 3.29Å; I170-Q173 PolarHBondContact O-N 3.45Å; F171-Q173 VanDerWaalsContact C-N 3.35Å; F171-Q173 PolarHBondContact O-N 2.93Å; Q173-E175 VanDerWaalsContact C-N 3.34Å; Q173-E175 PolarHBondContact O-N 3.42Å; Q173-A176 PolarHBondContact O-N 3.24Å; Q173-Q177 PolarHBondContact O-N 2.97Å
174A95.1Very high94Very high0 Ų088.8 Ų88.80%041%0.408CS..Hα-helixtrans-59.9-44.2174.900000111.5I133 C136 K137 M140 I170 F171 Q177 V178I133-A174 HydrophobicContact CG2-CB 4.22Å; C136-A174 HydrophobicContact CB-CB 3.95Å; K137-A174 HydrophobicContact CB-CB 4.14Å; M140-A174 HydrophobicContact SD-CB 4.03Å; I170-A174 WeakPolarHBondContact O-CB 3.32Å; I170-A174 PolarHBondContact O-N 2.73Å; F171-A174 PolarHBondContact O-N 3.46Å; A174-Q177 PolarHBondContact O-N 3.11Å; A174-V178 WeakPolarHBondContact O-CG2 3.35Å; A174-V178 PolarHBondContact O-N 2.94Å
175E95.1Very high93.8Very high73 Ų7389.6 Ų89.634%0.34140%0.403SS..Hα-helixtrans-62.6-44.5177.8-161.1-160.7-158.800112.2M140 F171 M172 Q173 Q177 V178 K179M140-E175 HydrophobicContact CE-CB 3.71Å; M140-E175 HydrophobicContact CE-CG 3.71Å; F171-E175 WeakPolarHBondContact O-CB 3.2Å; F171-E175 PolarHBondContact O-N 3.24Å; M172-E175 PolarHBondContact O-N 3.26Å; Q173-E175 VanDerWaalsContact C-N 3.34Å; Q173-E175 PolarHBondContact O-N 3.42Å; E175-Q177 VanDerWaalsContact C-N 3.27Å; E175-Q177 PolarHBondContact O-N 3.1Å; E175-V178 PolarHBondContact O-N 2.71Å; E175-K179 WeakPolarHBondContact O-CG 3.46Å; E175-K179 PolarHBondContact O-N 3.17Å; E175-K179 IonicContact OE1-NZ 3Å; E175-K179 PolarHBondContact OE1-NZ 2.87Å; E175-K179 IonicContact OE2-NZ 3.36Å; E175-K179 PolarHBondContact OE2-NZ 3.31Å
176A94.9Very high93.5Very high48 Ų4884.5 Ų84.540%0.39739%0.387SS..Hα-helixtrans-58.1-42.5175.500000111M172 Q173 K179 I180M172-A176 WeakPolarHBondContact O-CB 3.42Å; M172-A176 PolarHBondContact O-N 3.03Å; Q173-A176 PolarHBondContact O-N 3.24Å; A176-K179 WeakPolarHBondContact O-CB 3.31Å; A176-K179 PolarHBondContact O-N 2.99Å; A176-I180 WeakPolarHBondContact O-CG1 3.35Å; A176-I180 PolarHBondContact O-N 3.37Å
177Q92.4Very high93.2Very high53 Ų5381.3 Ų81.325%0.24838%0.38CS..Hα-helixtrans-67.3-40.3177.1-161.659.432.400112.4K137 Q173 A174 E175 K179 I180 D181K137-Q177 HydrophobicContact CD-CB 3.81Å; K137-Q177 HydrophobicContact CD-CG 3.63Å; Q173-Q177 PolarHBondContact O-N 2.97Å; A174-Q177 PolarHBondContact O-N 3.11Å; E175-Q177 VanDerWaalsContact C-N 3.27Å; E175-Q177 PolarHBondContact O-N 3.1Å; Q177-K179 VanDerWaalsContact C-N 3.28Å; Q177-K179 PolarHBondContact O-N 3.02Å; Q177-I180 PolarHBondContact O-N 3.49Å; Q177-D181 WeakPolarHBondContact O-CB 3.19Å; Q177-D181 VanDerWaalsContact O-CG 3.28Å; Q177-D181 PolarHBondContact O-N 3.33Å
178V92.3Very high92.9Very high8 Ų883.1 Ų83.15%0.04839%0.39CS..Hα-helixtrans-58.7-41.4172.1174.50000111.1K137 M140 A174 E175 I180 D181 R182K137-V178 HydrophobicContact CD-CG2 4.5Å; K137-V178 HydrophobicContact CG-CG2 3.54Å; M140-V178 HydrophobicContact CB-CG2 4.23Å; A174-V178 WeakPolarHBondContact O-CG2 3.35Å; A174-V178 PolarHBondContact O-N 2.94Å; E175-V178 PolarHBondContact O-N 2.71Å; V178-I180 VanDerWaalsContact C-N 3.33Å; V178-I180 PolarHBondContact O-N 3.39Å; V178-D181 PolarHBondContact O-N 3.47Å; V178-R182 HydrophobicContact CG1-CG 4.29Å; V178-R182 WeakPolarHBondContact O-CB 3.35Å; V178-R182 VanDerWaalsContact O-CG 3.28Å; V178-R182 WeakPolarHBondContact O-CG 3.12Å; V178-R182 PolarHBondContact O-N 2.84Å
179K93.2Very high92.7Very high111 Ų11178 Ų7848%0.48336%0.364SS..Hα-helixtrans-62.4-40.4178-73.5166.3178.4162.70111.3E175 A176 Q177E175-K179 WeakPolarHBondContact O-CG 3.46Å; E175-K179 PolarHBondContact O-N 3.17Å; E175-K179 IonicContact OE1-NZ 3Å; E175-K179 PolarHBondContact OE1-NZ 2.87Å; E175-K179 IonicContact OE2-NZ 3.36Å; E175-K179 PolarHBondContact OE2-NZ 3.31Å; A176-K179 WeakPolarHBondContact O-CB 3.31Å; A176-K179 PolarHBondContact O-N 2.99Å; Q177-K179 VanDerWaalsContact C-N 3.28Å; Q177-K179 PolarHBondContact O-N 3.02Å
180I90.9Very high92.4Very high78 Ų7875.8 Ų75.840%0.436%0.355SS..Hα-helixtrans-65.5-49.4174.2-66.1166.4000110.5A176 Q177 V178 R182 K183A176-I180 WeakPolarHBondContact O-CG1 3.35Å; A176-I180 PolarHBondContact O-N 3.37Å; Q177-I180 PolarHBondContact O-N 3.49Å; V178-I180 VanDerWaalsContact C-N 3.33Å; V178-I180 PolarHBondContact O-N 3.39Å; I180-R182 PolarHBondContact O-N 3.07Å; I180-K183 WeakPolarHBondContact O-CB 3.47Å; I180-K183 PolarHBondContact O-N 3.01Å
181D89Confident92.2Very high10 Ų1077.3 Ų77.35%0.05336%0.363CS..Hα-helixtrans-63.4-29.6-177.6-68.4-19.7000112K137 Q177 V178 K183 K184 R189K137-D181 IonicContact NZ-OD2 2.7Å; K137-D181 PolarHBondContact NZ-OD2 3.23Å; K137-D181 VanDerWaalsContact NZ-OD2 3.13Å; Q177-D181 WeakPolarHBondContact O-CB 3.19Å; Q177-D181 VanDerWaalsContact O-CG 3.28Å; Q177-D181 PolarHBondContact O-N 3.33Å; V178-D181 PolarHBondContact O-N 3.47Å; D181-K183 VanDerWaalsContact C-N 3.28Å; D181-K183 PolarHBondContact O-N 3.47Å; D181-K184 PolarHBondContact O-N 2.8Å; D181-R189 WeakPolarHBondContact O-CD 3.46Å
182R89.6Confident92Very high164 Ų16475.3 Ų75.362%0.61936%0.356SS*.THydrogen-bonded Turntrans-68.1-20.6174.6-77.8177.2-177.4-169.73.2114.3V178 I180 K184V178-R182 HydrophobicContact CG1-CG 4.29Å; V178-R182 WeakPolarHBondContact O-CB 3.35Å; V178-R182 VanDerWaalsContact O-CG 3.28Å; V178-R182 WeakPolarHBondContact O-CG 3.12Å; V178-R182 PolarHBondContact O-N 2.84Å; I180-R182 PolarHBondContact O-N 3.07Å; R182-K184 VanDerWaalsContact C-N 3.33Å
183K92.4Very high91.9Very high182 Ų18271.1 Ų71.179%0.79134%0.335SS*.THydrogen-bonded Turntrans-76.9-21.4176.3-64.1178.2-179.8-1800112.8I180 D181I180-K183 WeakPolarHBondContact O-CB 3.47Å; I180-K183 PolarHBondContact O-N 3.01Å; D181-K183 VanDerWaalsContact C-N 3.28Å; D181-K183 PolarHBondContact O-N 3.47Å
184K91.7Very high91.9Very high65 Ų6567.6 Ų67.628%0.28332%0.32SS..SBendtrans-77.1154.3178.5-61.7-177.7-179.5169.20111.2D181 R182 R189 L192D181-K184 PolarHBondContact O-N 2.8Å; R182-K184 VanDerWaalsContact C-N 3.33Å; K184-R189 HydrophobicContact CB-CB 4.42Å; K184-L192 HydrophobicContact CD-CD1 3.44Å; K184-L192 VanDerWaalsContact CD-CD1 3.44Å
185D93.3Very high92Very high86 Ų8669 Ų6946%0.4633%0.327SS..  trans-67160.4177.284.878.1000111.4T187 E188 R189D185-T187 PolarHBondContact O-N 3.4Å; D185-T187 WeakPolarHBondContact OD1-CA 3.49Å; D185-T187 WeakPolarHBondContact OD1-CB 3.32Å; D185-T187 PolarHBondContact OD1-N 2.95Å; D185-E188 PolarHBondContact O-N 2.93Å; D185-E188 PolarHBondContact OD1-N 3.41Å; D185-E188 VanDerWaalsContact OD1-N 3.09Å; D185-E188 WeakPolarHBondContact OD2-CB 3.46Å; D185-R189 VanDerWaalsContact O-CB 3.27Å; D185-R189 WeakPolarHBondContact O-CB 3.43Å; D185-R189 PolarHBondContact O-N 3.47Å
186K89.1Confident92Very high142 Ų14266.3 Ų66.362%0.61731%0.314SS*.Hα-helixtrans-60.6-33.4-173.8-176.5178179.4178.60112.8K190K186-K190 WeakPolarHBondContact O-CG 3.28Å; K186-K190 PolarHBondContact O-N 3.2Å
187T87.9Confident92.1Very high71 Ų7165.3 Ų65.344%0.43630%0.3SS..Hα-helixtrans-78.3-51.2-176.8-53.10000110.4P57 D185 R189 K190 I191P57-T187 HydrophobicContact CB-CG2 4.43Å; P57-T187 HydrophobicContact CG-CG2 3.57Å; D185-T187 PolarHBondContact O-N 3.4Å; D185-T187 WeakPolarHBondContact OD1-CA 3.49Å; D185-T187 WeakPolarHBondContact OD1-CB 3.32Å; D185-T187 PolarHBondContact OD1-N 2.95Å; T187-R189 VanDerWaalsContact C-N 3.34Å; T187-R189 PolarHBondContact O-N 3.37Å; T187-K190 WeakPolarHBondContact O-CB 3.28Å; T187-K190 PolarHBondContact O-N 3.45Å; T187-K190 VanDerWaalsContact O-N 3.13Å; T187-I191 PolarHBondContact O-N 3.11Å
188E89.9Confident92.4Very high89 Ų8962.8 Ų62.842%0.41629%0.289SS..Hα-helixtrans-57-48176.5-176.7-170.9-169.900111.2D185 K190 I191 L192D185-E188 PolarHBondContact O-N 2.93Å; D185-E188 PolarHBondContact OD1-N 3.41Å; D185-E188 VanDerWaalsContact OD1-N 3.09Å; D185-E188 WeakPolarHBondContact OD2-CB 3.46Å; E188-K190 VanDerWaalsContact C-N 3.28Å; E188-K190 PolarHBondContact O-N 2.98Å; E188-I191 PolarHBondContact O-N 2.73Å; E188-I191 VanDerWaalsContact O-N 3.08Å; E188-L192 HydrophobicContact CG-CD1 4Å; E188-L192 HydrophobicContact CG-CG 4.49Å; E188-L192 PolarHBondContact O-N 3.12Å
189R91.5Very high92.6Very high45 Ų4562.5 Ų62.517%0.1729%0.287CS..Hα-helixtrans-56.5-41.1176.5180176.455.1-166.3-9.6112.5D181 K184 D185 T187 I191 L192 D193D181-R189 WeakPolarHBondContact O-CD 3.46Å; K184-R189 HydrophobicContact CB-CB 4.42Å; D185-R189 VanDerWaalsContact O-CB 3.27Å; D185-R189 WeakPolarHBondContact O-CB 3.43Å; D185-R189 PolarHBondContact O-N 3.47Å; T187-R189 VanDerWaalsContact C-N 3.34Å; T187-R189 PolarHBondContact O-N 3.37Å; R189-I191 VanDerWaalsContact C-N 3.32Å; R189-I191 PolarHBondContact O-N 3.03Å; R189-L192 PolarHBondContact O-N 3.32Å; R189-D193 WeakPolarHBondContact O-CB 3.49Å; R189-D193 PolarHBondContact O-N 2.86Å
190K89.8Confident92.8Very high85 Ų8557.3 Ų57.337%0.3726%0.264SS..Hα-helixtrans-63.3-38.5178.4-83.2-178.8173-165.90112.4K186 T187 E188 S194K186-K190 WeakPolarHBondContact O-CG 3.28Å; K186-K190 PolarHBondContact O-N 3.2Å; T187-K190 WeakPolarHBondContact O-CB 3.28Å; T187-K190 PolarHBondContact O-N 3.45Å; T187-K190 VanDerWaalsContact O-N 3.13Å; E188-K190 VanDerWaalsContact C-N 3.28Å; E188-K190 PolarHBondContact O-N 2.98Å; K190-S194 PolarHBondContact O-N 3.49Å; K190-S194 PolarHBondContact O-OG 3.04Å
191I91.1Very high93.2Very high36 Ų3653.9 Ų53.919%0.18525%0.246CC..Hα-helixtrans-69.2-48.8179-63173.7000109.3P57 T187 E188 R189 D193 S194 Q195P57-I191 HydrophobicContact CG-CD1 4.05Å; P57-I191 HydrophobicContact CG-CG1 4.45Å; T187-I191 PolarHBondContact O-N 3.11Å; E188-I191 PolarHBondContact O-N 2.73Å; E188-I191 VanDerWaalsContact O-N 3.08Å; R189-I191 VanDerWaalsContact C-N 3.32Å; R189-I191 PolarHBondContact O-N 3.03Å; I191-D193 PolarHBondContact O-N 3.4Å; I191-S194 PolarHBondContact O-N 2.77Å; I191-S194 PolarHBondContact O-OG 2.63Å; I191-Q195 HydrophobicContact CG2-CG 4.42Å; I191-Q195 PolarHBondContact O-N 3.16Å
192L92.6Very high93.6Very high49 Ų4953.8 Ų53.826%0.25725%0.246SC..Hα-helixtrans-60-44.8178.5-71.1172.1000112.5K184 E188 R189 S194 Q195 E196K184-L192 HydrophobicContact CD-CD1 3.44Å; K184-L192 VanDerWaalsContact CD-CD1 3.44Å; E188-L192 HydrophobicContact CG-CD1 4Å; E188-L192 HydrophobicContact CG-CG 4.49Å; E188-L192 PolarHBondContact O-N 3.12Å; R189-L192 PolarHBondContact O-N 3.32Å; L192-S194 PolarHBondContact O-N 3.46Å; L192-Q195 PolarHBondContact O-N 3.33Å; L192-E196 WeakPolarHBondContact O-CB 3.17Å; L192-E196 PolarHBondContact O-N 3.05Å
193D93Very high93.8Very high9 Ų946.7 Ų46.75%0.04822%0.22CC..Hα-helixtrans-56.4-39.9174.8-66.6-28.1000111.1R145 L146 R189 I191 R197R145-D193 IonicContact CZ-OD2 2.89Å; R145-D193 VanDerWaalsContact CZ-OD2 3.3Å; R145-D193 IonicContact NH1-OD2 2.69Å; R145-D193 PolarHBondContact NH1-OD2 2.89Å; R145-D193 IonicContact NH2-OD2 3.3Å; R145-D193 PolarHBondContact NH2-OD2 3.44Å; L146-D193 HydrophobicContact CD2-CB 4.21Å; R189-D193 WeakPolarHBondContact O-CB 3.49Å; R189-D193 PolarHBondContact O-N 2.86Å; I191-D193 PolarHBondContact O-N 3.4Å; D193-R197 WeakPolarHBondContact O-CB 3.45Å; D193-R197 PolarHBondContact O-N 3.21Å
194S94.8Very high94Very high15 Ų1540.6 Ų40.611%0.10519%0.192CC..Hα-helixtrans-74.2-34.5-179.871.30000113.3F95 K190 I191 L192 A198F95-S194 WeakPolarHBondContact CE2-O 3.33Å; K190-S194 PolarHBondContact O-N 3.49Å; K190-S194 PolarHBondContact O-OG 3.04Å; I191-S194 PolarHBondContact O-N 2.77Å; I191-S194 PolarHBondContact O-OG 2.63Å; L192-S194 PolarHBondContact O-N 3.46Å; S194-A198 WeakPolarHBondContact O-CB 3.49Å; S194-A198 PolarHBondContact O-N 3.41Å
195Q96.7Very high94.3Very high30 Ų3039 Ų3914%0.1419%0.188CC..Hα-helixtrans-68.2-43.9175.4-76.7-177-15.100111.6F95 Q114 F118 I191 L192 A198 F199F95-Q195 HydrophobicContact CE1-CG 4.24Å; F95-Q195 HydrophobicContact CZ-CG 3.92Å; Q114-Q195 PolarHBondContact NE2-O 3.04Å; Q114-Q195 VanDerWaalsContact OE1-CB 3.29Å; F118-Q195 HydrophobicContact CD2-CB 4.19Å; F118-Q195 HydrophobicContact CE2-CB 4.04Å; I191-Q195 HydrophobicContact CG2-CG 4.42Å; I191-Q195 PolarHBondContact O-N 3.16Å; L192-Q195 PolarHBondContact O-N 3.33Å; Q195-A198 PolarHBondContact O-N 3.02Å; Q195-F199 PolarHBondContact O-N 3.13Å
196E96.2Very high94.4Very high17 Ų1736.3 Ų36.38%0.07918%0.175CC..Hα-helixtrans-65.7-39175.6-170.6-176-149.600111.3F118 Y134 K137 L192 F199 W200 Y234F118-E196 HydrophobicContact CZ-CB 4.46Å; Y134-E196 HydrophobicContact CD2-CG 3.85Å; Y134-E196 HydrophobicContact CE2-CB 4.48Å; Y134-E196 HydrophobicContact CE2-CG 3.84Å; K137-E196 WeakPolarHBondContact CE-OE2 3.37Å; K137-E196 IonicContact NZ-OE1 2.71Å; K137-E196 PolarHBondContact NZ-OE1 2.73Å; K137-E196 IonicContact NZ-OE2 3.13Å; K137-E196 PolarHBondContact NZ-OE2 3.4Å; L192-E196 WeakPolarHBondContact O-CB 3.17Å; L192-E196 PolarHBondContact O-N 3.05Å; E196-F199 WeakPolarHBondContact O-CB 3.5Å; E196-F199 PolarHBondContact O-N 3.25Å; E196-W200 PolarHBondContact O-N 3.11Å; E196-W200 VanDerWaalsContact O-N 3.17Å; E196-Y234 WeakPolarHBondContact OE1-CE1 3.29Å; E196-Y234 PolarHBondContact OE1-OH 3.34Å
197R97Very high94.8Very high27 Ų2734.1 Ų34.110%0.10218%0.175CC..Hα-helixtrans-57.1-51.8170.4-178.8-17462.683.7-14.8111.5P96 I97 D99 Y134 D193 F199 W200 D201P96-R197 PolarHBondContact O-NH2 2.86Å; I97-R197 VanDerWaalsContact C-NH2 3.35Å; I97-R197 PolarHBondContact O-NH2 3.39Å; I97-R197 VanDerWaalsContact O-NH2 3.08Å; D99-R197 PolarHBondContact O-NH1 3.09Å; D99-R197 PolarHBondContact O-NH2 3.13Å; Y134-R197 VanDerWaalsContact OH-CA 3.27Å; Y134-R197 WeakPolarHBondContact OH-CA 3.38Å; Y134-R197 WeakPolarHBondContact OH-CB 3.38Å; D193-R197 WeakPolarHBondContact O-CB 3.45Å; D193-R197 PolarHBondContact O-N 3.21Å; R197-F199 VanDerWaalsContact C-N 3.26Å; R197-F199 PolarHBondContact O-N 2.83Å; R197-W200 CarbonylContact O-C 3.58Å; R197-W200 WeakPolarHBondContact O-CA 3.37Å; R197-W200 PolarHBondContact O-N 2.89Å; R197-D201 IonicContact CZ-OD2 2.66Å; R197-D201 IonicContact NH1-OD2 2.97Å; R197-D201 PolarHBondContact NH1-OD2 3.48Å; R197-D201 VanDerWaalsContact O-CG 3.3Å; R197-D201 PolarHBondContact O-N 3.04Å
198A97.8Very high95.1Very high0 Ų034.9 Ų34.90%020%0.197CC..Hα-helixtrans-61.9-33.5-179.500000113.2F95 S194 Q195 W200 D201 V202F95-A198 HydrophobicContact CB-CB 3.63Å; F95-A198 HydrophobicContact CD1-CB 3.36Å; F95-A198 HydrophobicContact CD2-CB 3.57Å; F95-A198 HydrophobicContact CE1-CB 3.8Å; F95-A198 HydrophobicContact CE2-CB 3.99Å; F95-A198 HydrophobicContact CG-CB 3.23Å; F95-A198 HydrophobicContact CZ-CB 4.09Å; S194-A198 WeakPolarHBondContact O-CB 3.49Å; S194-A198 PolarHBondContact O-N 3.41Å; Q195-A198 PolarHBondContact O-N 3.02Å; A198-W200 VanDerWaalsContact C-N 3.35Å; A198-D201 PolarHBondContact O-N 3.19Å; A198-V202 PolarHBondContact O-N 3.32Å
199F97.8Very high95.4Very high2 Ų233 Ų331%0.00919%0.193CC..Hα-helixtrans-60.1-45.4171.2169.4-92.6000111.5F118 W124 P126 Q195 E196 R197 V202 H203 V233F118-F199 HydrophobicContact CB-CB 4.29Å; F118-F199 HydrophobicContact CB-CD2 4.04Å; F118-F199 HydrophobicContact CD1-CB 3.75Å; F118-F199 HydrophobicContact CD1-CD1 4.49Å; F118-F199 AromaticContact CD1-CD2 3.5Å; F118-F199 HydrophobicContact CD1-CD2 3.5Å; F118-F199 VanDerWaalsContact CD1-CD2 3.5Å; F118-F199 HydrophobicContact CD1-CE2 4.21Å; F118-F199 AromaticContact CD1-CG 3.65Å; F118-F199 HydrophobicContact CD1-CG 3.65Å; F118-F199 HydrophobicContact CE1-CB 4.23Å; F118-F199 HydrophobicContact CE1-CD2 4.36Å; F118-F199 HydrophobicContact CE1-CG 4.16Å; F118-F199 HydrophobicContact CG-CB 4.05Å; F118-F199 HydrophobicContact CG-CD2 4.15Å; F118-F199 HydrophobicContact CG-CG 4.36Å; W124-F199 HydrophobicContact CB-CE2 4.01Å; W124-F199 HydrophobicContact CB-CZ 4.27Å; W124-F199 AromaticContact CD1-CE2 3.8Å; W124-F199 AromaticContact CD2-CE2 3.99Å; W124-F199 HydrophobicContact CD2-CE2 3.99Å; W124-F199 HydrophobicContact CD2-CZ 4.3Å; W124-F199 AromaticContact CG-CE2 3.68Å; W124-F199 HydrophobicContact CG-CE2 3.68Å; W124-F199 HydrophobicContact CG-CZ 4.2Å; P126-F199 HydrophobicContact CB-CE1 4.15Å; P126-F199 HydrophobicContact CB-CZ 4.03Å; P126-F199 HydrophobicContact CG-CE1 4.2Å; P126-F199 HydrophobicContact CG-CZ 3.92Å; Q195-F199 PolarHBondContact O-N 3.13Å; E196-F199 WeakPolarHBondContact O-CB 3.5Å; E196-F199 PolarHBondContact O-N 3.25Å; R197-F199 VanDerWaalsContact C-N 3.26Å; R197-F199 PolarHBondContact O-N 2.83Å; F199-V202 PolarHBondContact O-N 2.85Å; F199-H203 AromaticContact CD2-CE1 3.56Å; F199-H203 AromaticContact CD2-ND1 3.72Å; F199-H203 AromaticContact CE1-ND1 3.96Å; F199-H203 AromaticContact CE2-CE1 3.16Å; F199-H203 WeakPolarHBondContact CE2-CE1 3.44Å; F199-H203 AromaticContact CE2-ND1 3.52Å; F199-H203 AromaticContact CE2-NE2 3.92Å; F199-H203 AromaticContact CZ-CE1 3.62Å; F199-H203 AromaticContact CZ-ND1 3.64Å; F199-H203 PolarHBondContact O-N 3.06Å; F199-H203 PolarHBondContact O-ND1 2.93Å; F199-V233 HydrophobicContact CE1-CG2 3.71Å; F199-V233 HydrophobicContact CZ-CG2 3.64Å
200W97.6Very high95.5Very high2 Ų236.8 Ų36.81%0.00822%0.221CC..Hα-helixtrans-71.8-31177.9-73.7114.1000113.2P126 D130 Y131 Y134 E196 R197 A198 V202 H203 R204 Y234P126-W200 HydrophobicContact CB-CH2 3.62Å; P126-W200 HydrophobicContact CB-CZ3 3.79Å; P126-W200 HydrophobicContact CG-CH2 4.36Å; P126-W200 HydrophobicContact CG-CZ3 4.03Å; D130-W200 HydrophobicContact CB-CH2 3.75Å; D130-W200 HydrophobicContact CB-CZ2 3.9Å; Y131-W200 VanDerWaalsContact CA-CH2 3.49Å; Y131-W200 AromaticContact CD2-CD2 3.6Å; Y131-W200 HydrophobicContact CD2-CD2 3.6Å; Y131-W200 AromaticContact CD2-CE3 3.42Å; Y131-W200 HydrophobicContact CD2-CE3 3.42Å; Y131-W200 VanDerWaalsContact CD2-CE3 3.42Å; Y131-W200 HydrophobicContact CD2-CG 4.14Å; Y131-W200 HydrophobicContact CD2-CH2 4.25Å; Y131-W200 HydrophobicContact CD2-CZ2 4.41Å; Y131-W200 AromaticContact CD2-CZ3 3.78Å; Y131-W200 HydrophobicContact CD2-CZ3 3.78Å; Y131-W200 HydrophobicContact CE2-CB 4.32Å; Y131-W200 HydrophobicContact CE2-CD2 4.18Å; Y131-W200 HydrophobicContact CE2-CE3 4.1Å; Y131-W200 HydrophobicContact CE2-CG 4.3Å; Y131-W200 HydrophobicContact CG-CE3 4.05Å; Y131-W200 HydrophobicContact CG-CH2 4.35Å; Y131-W200 AromaticContact CG-CZ3 3.94Å; Y131-W200 HydrophobicContact CG-CZ3 3.94Å; Y131-W200 VanDerWaalsContact N-CH2 3.3Å; Y134-W200 HydrophobicContact CD1-CB 4.37Å; Y134-W200 AromaticContact CD1-CD1 3.42Å; Y134-W200 VanDerWaalsContact CD1-CD1 3.42Å; Y134-W200 HydrophobicContact CD1-CD2 4.36Å; Y134-W200 AromaticContact CD1-CG 3.81Å; Y134-W200 HydrophobicContact CD1-CG 3.81Å; Y134-W200 AromaticContact CD1-NE1 3.77Å; Y134-W200 AromaticContact CD2-CD1 3.4Å; Y134-W200 VanDerWaalsContact CD2-CD1 3.4Å; Y134-W200 HydrophobicContact CD2-CG 4.49Å; Y134-W200 AromaticContact CD2-NE1 3.49Å; Y134-W200 HydrophobicContact CE1-CB 4.06Å; Y134-W200 AromaticContact CE1-CD1 3.63Å; Y134-W200 AromaticContact CE1-CG 3.94Å; Y134-W200 HydrophobicContact CE1-CG 3.94Å; Y134-W200 AromaticContact CE2-CD1 3.6Å; Y134-W200 AromaticContact CG-CD1 3.3Å; Y134-W200 HydrophobicContact CG-CG 4.1Å; Y134-W200 AromaticContact CG-NE1 3.25Å; Y134-W200 VanDerWaalsContact CG-NE1 3.25Å; Y134-W200 AromaticContact CZ-CD1 3.7Å; E196-W200 PolarHBondContact O-N 3.11Å; E196-W200 VanDerWaalsContact O-N 3.17Å; R197-W200 CarbonylContact O-C 3.58Å; R197-W200 WeakPolarHBondContact O-CA 3.37Å; R197-W200 PolarHBondContact O-N 2.89Å; A198-W200 VanDerWaalsContact C-N 3.35Å; W200-V202 PolarHBondContact O-N 2.67Å; W200-H203 HydrophobicContact CE3-CB 4.34Å; W200-H203 PolarHBondContact O-N 3.49Å; W200-R204 HydrophobicContact CE3-CB 4.5Å; W200-R204 HydrophobicContact CE3-CG 3.81Å; W200-R204 HydrophobicContact CZ3-CG 4.07Å; W200-R204 CarbonylContact O-C 3.57Å; W200-R204 WeakPolarHBondContact O-CA 3.46Å; W200-R204 PolarHBondContact O-N 3.08Å; W200-Y234 HydrophobicContact CZ2-CE2 4.15Å
201D97.8Very high95.8Very high5 Ų534.7 Ų34.73%0.02721%0.214CC..Hα-helixtrans-62.8-25.3174.1-65.6-26.4000112.3H100 L102 R197 A198 P205H100-D201 IonicContact CE1-OD1 2.68Å; H100-D201 IonicContact CG-OD1 3.75Å; H100-D201 IonicContact ND1-OD1 3.61Å; H100-D201 PolarHBondContact ND1-OD1 3.26Å; H100-D201 IonicContact ND1-OD2 3.73Å; L102-D201 HydrophobicContact CD1-CB 3.88Å; L102-D201 HydrophobicContact CD2-CB 4.01Å; L102-D201 HydrophobicContact CG-CB 3.91Å; R197-D201 IonicContact CZ-OD2 2.66Å; R197-D201 IonicContact NH1-OD2 2.97Å; R197-D201 PolarHBondContact NH1-OD2 3.48Å; R197-D201 VanDerWaalsContact O-CG 3.3Å; R197-D201 PolarHBondContact O-N 3.04Å; A198-D201 PolarHBondContact O-N 3.19Å; D201-P205 VanDerWaalsContact O-CA 3.24Å; D201-P205 WeakPolarHBondContact O-CA 3.37Å; D201-P205 WeakPolarHBondContact O-CB 3.27Å
202V97Very high95.9Very high8 Ų834.2 Ų34.25%0.04821%0.213CC..Hα-helixtrans-77-49.7170.5175.30000111.7G92 L102 A198 F199 W200 T213G92-V202 VanDerWaalsContact CA-CG2 3.45Å; L102-V202 HydrophobicContact CD1-CB 4.45Å; L102-V202 HydrophobicContact CD1-CG2 3.47Å; L102-V202 VanDerWaalsContact CD1-CG2 3.47Å; A198-V202 PolarHBondContact O-N 3.32Å; F199-V202 PolarHBondContact O-N 2.85Å; W200-V202 PolarHBondContact O-N 2.67Å; V202-T213 HydrophobicContact CG1-CG2 3.93Å
203H95.8Very high95.7Very high16 Ų1635 Ų357%0.07422%0.22CC..Hα-helixtrans-86.8-17.7-169.1-64.286.8000113.9P126 F199 W200P126-H203 VanDerWaalsContact CD-CD2 3.41Å; P126-H203 WeakPolarHBondContact CD-CD2 3.41Å; P126-H203 HydrophobicContact CG-CB 3.68Å; P126-H203 VanDerWaalsContact CG-CD2 3.41Å; P126-H203 WeakPolarHBondContact CG-CD2 3.38Å; F199-H203 AromaticContact CD2-CE1 3.56Å; F199-H203 AromaticContact CD2-ND1 3.72Å; F199-H203 AromaticContact CE1-ND1 3.96Å; F199-H203 AromaticContact CE2-CE1 3.16Å; F199-H203 WeakPolarHBondContact CE2-CE1 3.44Å; F199-H203 AromaticContact CE2-ND1 3.52Å; F199-H203 AromaticContact CE2-NE2 3.92Å; F199-H203 AromaticContact CZ-CE1 3.62Å; F199-H203 AromaticContact CZ-ND1 3.64Å; F199-H203 PolarHBondContact O-N 3.06Å; F199-H203 PolarHBondContact O-ND1 2.93Å; W200-H203 HydrophobicContact CE3-CB 4.34Å; W200-H203 PolarHBondContact O-N 3.49Å
204R96.3Very high95.5Very high53 Ų5341.4 Ų41.420%0.225%0.249CC..SBendtrans-139.364.6177.6-62.7-64.1-176.9-75.1-3.7108P126 N128 Y131 W200P126-R204 PolarHBondContact O-NH2 3.23Å; N128-R204 PolarHBondContact OD1-NH2 3.44Å; Y131-R204 HydrophobicContact CD1-CG 3.79Å; Y131-R204 HydrophobicContact CD2-CG 4Å; Y131-R204 HydrophobicContact CE1-CB 4.02Å; Y131-R204 HydrophobicContact CE1-CG 3.8Å; Y131-R204 HydrophobicContact CE2-CB 4.02Å; Y131-R204 HydrophobicContact CE2-CG 4.01Å; Y131-R204 HydrophobicContact CG-CG 3.91Å; W200-R204 HydrophobicContact CE3-CB 4.5Å; W200-R204 HydrophobicContact CE3-CG 3.81Å; W200-R204 HydrophobicContact CZ3-CG 4.07Å; W200-R204 CarbonylContact O-C 3.57Å; W200-R204 WeakPolarHBondContact O-CA 3.46Å; W200-R204 PolarHBondContact O-N 3.08Å
205P96.5Very high95Very high32 Ų3243.6 Ų43.621%0.20826%0.259CS..PPolyproline II helixtrans-64.4158-170.828.6-36.3000112.4D201 C209 N211D201-P205 VanDerWaalsContact O-CA 3.24Å; D201-P205 WeakPolarHBondContact O-CA 3.37Å; D201-P205 WeakPolarHBondContact O-CB 3.27Å; P205-C209 HydrophobicContact CB-CB 4.17Å; P205-N211 HydrophobicContact CG-CB 4.14Å
206V96.6Very high94.4Very high29 Ų2945.2 Ų45.218%0.17627%0.268CS..PPolyproline II helixtrans-54.1135.5172-176.80000109.3H100 V101 Y151 G208 C209H100-V206 HydrophobicContact CB-CG2 3.56Å; V101-V206 HydrophobicContact CG2-CB 4.47Å; V101-V206 HydrophobicContact CG2-CG2 4.22Å; Y151-V206 HydrophobicContact CE1-CG1 4.44Å; Y151-V206 HydrophobicContact CE1-CG2 4.02Å; V206-G208 PolarHBondContact O-N 2.85Å; V206-C209 VanDerWaalsContact O-CB 3.28Å; V206-C209 WeakPolarHBondContact O-CB 3.43Å; V206-C209 PolarHBondContact O-N 3.39Å
207P96.6Very high93.9Very high96 Ų9650 Ų5062%0.62329%0.293SS*.THydrogen-bonded Turntrans-52.6130.4177.1-27.935.2000112.3Y151Y151-P207 HydrophobicContact CD2-CG 4.44Å; Y151-P207 HydrophobicContact CG-CG 4.3Å
208G94.7Very high93.1Very high87 Ų8756.9 Ų56.990%0.89732%0.319SS*.THydrogen-bonded Turntrans94.6-15.9-175.200000114.5V206V206-G208 PolarHBondContact O-N 2.85Å
209C95.7Very high92.2Very high50 Ų5060.4 Ų60.434%0.33833%0.334SS..SBendtrans-78.3150.2169.7-65.70000111.5P205 V206 N211P205-C209 HydrophobicContact CB-CB 4.17Å; V206-C209 VanDerWaalsContact O-CB 3.28Å; V206-C209 WeakPolarHBondContact O-CB 3.43Å; V206-C209 PolarHBondContact O-N 3.39Å; C209-N211 PolarHBondContact O-N 3.27Å
210V95Very high91Very high124 Ų12462.5 Ų62.575%0.75235%0.349SS*.  trans-68.3129.3174.6178.70000109.6T212V210-T212 PolarHBondContact O-N 2.86Å
211N94.4Very high89.5Confident42 Ų4271.9 Ų71.923%0.22539%0.385CS..  trans-80.7100.6172.5-177.3-4.9000110.2P205 C209 T213 E214P205-N211 HydrophobicContact CG-CB 4.14Å; C209-N211 PolarHBondContact O-N 3.27Å; N211-T213 PolarHBondContact O-N 3.25Å; N211-T213 WeakPolarHBondContact OD1-CB 3.47Å; N211-T213 PolarHBondContact OD1-N 3.47Å; N211-T213 VanDerWaalsContact OD1-N 3.13Å; N211-T213 PolarHBondContact OD1-OG1 3.21Å; N211-E214 HydrophobicContact CB-CG 3.95Å; N211-E214 WeakPolarHBondContact CB-OE1 3.32Å; N211-E214 PolarHBondContact ND2-OE1 3.28Å; N211-E214 PolarHBondContact O-N 3.22Å
212T93.3Very high87.9Confident26 Ų2680.2 Ų80.216%0.1642%0.415CS..THydrogen-bonded Turntrans-70.3-12-176.252.60000114.1A90 V210A90-T212 HydrophobicContact CB-CG2 3.89Å; A90-T212 WeakPolarHBondContact O-CG2 3.34Å; A90-T212 PolarHBondContact O-OG1 2.97Å; V210-T212 PolarHBondContact O-N 2.86Å
213T89.6Confident86.3Confident64 Ų6483.4 Ų83.439%0.39343%0.432SS..THydrogen-bonded Turntrans-82.8-12.2175.673.40000113.4V202 N211V202-T213 HydrophobicContact CG1-CG2 3.93Å; N211-T213 PolarHBondContact O-N 3.25Å; N211-T213 WeakPolarHBondContact OD1-CB 3.47Å; N211-T213 PolarHBondContact OD1-N 3.47Å; N211-T213 VanDerWaalsContact OD1-N 3.13Å; N211-T213 PolarHBondContact OD1-OG1 3.21Å
214E88.7Confident84.1Confident144 Ų14491.6 Ų91.667%0.67347%0.467SS*.  trans-68.7135.3177.7-71.8178.1-166.100111.2N211N211-E214 HydrophobicContact CB-CG 3.95Å; N211-E214 WeakPolarHBondContact CB-OE1 3.32Å; N211-E214 PolarHBondContact ND2-OE1 3.28Å; N211-E214 PolarHBondContact O-N 3.22Å
215M82.9Confident81.9Confident62 Ų6292.9 Ų92.931%0.30548%0.478SS..  trans-121.8139.6-176.4-178.6164.451.200111I217 K219 C220 L223M215-I217 PolarHBondContact O-N 3.41Å; M215-K219 HydrophobicContact CG-CB 3.63Å; M215-K219 HydrophobicContact CG-CD 4.29Å; M215-K219 HydrophobicContact SD-CB 3.82Å; M215-C220 HydrophobicContact CE-CB 4.35Å; M215-C220 VanDerWaalsContact CE-SG 3.54Å; M215-L223 HydrophobicContact CE-CD1 3.32Å; M215-L223 HydrophobicContact SD-CD1 3.87Å
216D85.4Confident79.4Confident64 Ų6497.5 Ų97.534%0.34251%0.508SS..  trans-54.7131.2174.1-175.8-50.1000110.3R218 K219 C220D216-R218 PolarHBondContact O-N 3.36Å; D216-R218 WeakPolarHBondContact OD1-CA 3.22Å; D216-R218 WeakPolarHBondContact OD1-CB 3.46Å; D216-R218 WeakPolarHBondContact OD1-CG 3.34Å; D216-R218 PolarHBondContact OD1-N 2.77Å; D216-R218 IonicContact OD1-NE 3.72Å; D216-R218 PolarHBondContact OD1-NE 3.03Å; D216-R218 IonicContact OD2-CZ 2.74Å; D216-R218 IonicContact OD2-NE 3.23Å; D216-R218 PolarHBondContact OD2-NE 2.82Å; D216-R218 IonicContact OD2-NH2 3.89Å; D216-R218 PolarHBondContact OD2-NH2 2.77Å; D216-K219 HydrophobicContact CB-CB 4.46Å; D216-K219 HydrophobicContact CB-CD 4.3Å; D216-K219 HydrophobicContact CB-CG 4.36Å; D216-K219 WeakPolarHBondContact O-CA 3.33Å; D216-K219 VanDerWaalsContact O-CB 3.29Å; D216-K219 WeakPolarHBondContact O-CB 3.48Å; D216-K219 PolarHBondContact O-N 3.22Å; D216-C220 PolarHBondContact O-N 3.17Å; D216-C220 PolarHBondContact O-SG 3.36Å; D216-C220 VanDerWaalsContact O-SG 3.41Å
217I84.6Confident76.9Confident117 Ų117104 Ų10460%0.654%0.537SS*.Hα-helixtrans-54.2-30.7-178.8-171.959.1000113.4M215 K219 C220 R221M215-I217 PolarHBondContact O-N 3.41Å; I217-K219 VanDerWaalsContact C-N 3.33Å; I217-C220 HydrophobicContact CD1-CB 4.41Å; I217-C220 PolarHBondContact O-N 3.41Å; I217-R221 PolarHBondContact O-N 3.19Å
218R81.1Confident74.8Confident172 Ų172104.6 Ų104.665%0.64953%0.529SS*.Hα-helixtrans-68.8-32.2175.8-60.6176-72-168.2-1.5111.9D216D216-R218 PolarHBondContact O-N 3.36Å; D216-R218 WeakPolarHBondContact OD1-CA 3.22Å; D216-R218 WeakPolarHBondContact OD1-CB 3.46Å; D216-R218 WeakPolarHBondContact OD1-CG 3.34Å; D216-R218 PolarHBondContact OD1-N 2.77Å; D216-R218 IonicContact OD1-NE 3.72Å; D216-R218 PolarHBondContact OD1-NE 3.03Å; D216-R218 IonicContact OD2-CZ 2.74Å; D216-R218 IonicContact OD2-NE 3.23Å; D216-R218 PolarHBondContact OD2-NE 2.82Å; D216-R218 IonicContact OD2-NH2 3.89Å; D216-R218 PolarHBondContact OD2-NH2 2.77Å
219K78.9Confident72.5Confident73 Ų73106.6 Ų106.632%0.31752%0.524SS..Hα-helixtrans-74.6-42.8173.1-74.6177.9168.2-172.20110.4P21 N22 M215 D216 I217 R221 R222 L223P21-K219 HydrophobicContact CB-CB 4.14Å; P21-K219 HydrophobicContact CB-CD 3.83Å; P21-K219 HydrophobicContact CB-CG 3.82Å; P21-K219 HydrophobicContact CG-CB 3.9Å; P21-K219 HydrophobicContact CG-CG 4.09Å; N22-K219 PolarHBondContact OD1-NZ 3.21Å; M215-K219 HydrophobicContact CG-CB 3.63Å; M215-K219 HydrophobicContact CG-CD 4.29Å; M215-K219 HydrophobicContact SD-CB 3.82Å; D216-K219 HydrophobicContact CB-CB 4.46Å; D216-K219 HydrophobicContact CB-CD 4.3Å; D216-K219 HydrophobicContact CB-CG 4.36Å; D216-K219 WeakPolarHBondContact O-CA 3.33Å; D216-K219 VanDerWaalsContact O-CB 3.29Å; D216-K219 WeakPolarHBondContact O-CB 3.48Å; D216-K219 PolarHBondContact O-N 3.22Å; I217-K219 VanDerWaalsContact C-N 3.33Å; K219-R221 VanDerWaalsContact C-N 3.29Å; K219-R221 PolarHBondContact O-N 3.05Å; K219-R222 WeakPolarHBondContact O-CB 3.36Å; K219-R222 PolarHBondContact O-N 3.13Å; K219-L223 WeakPolarHBondContact O-CD1 3.28Å
220C73.1Confident70.6Confident47 Ų47110.8 Ų110.832%0.31854%0.537SS..Hα-helixtrans-54.9-41.8176.9-58.60000112.9M215 D216 I217 R222 L223M215-C220 HydrophobicContact CE-CB 4.35Å; M215-C220 VanDerWaalsContact CE-SG 3.54Å; D216-C220 PolarHBondContact O-N 3.17Å; D216-C220 PolarHBondContact O-SG 3.36Å; D216-C220 VanDerWaalsContact O-SG 3.41Å; I217-C220 HydrophobicContact CD1-CB 4.41Å; I217-C220 PolarHBondContact O-N 3.41Å; C220-R222 PolarHBondContact O-N 3.35Å; C220-L223 PolarHBondContact O-N 2.89Å; C220-L223 VanDerWaalsContact O-N 3.13Å
221R65.5Low68.8Low199 Ų199109.3 Ų109.375%0.75152%0.52SS*.THydrogen-bonded Turntrans-64.3-20.8178.4-73.2-176.7-179.8-140.11.2114.4I217 K219I217-R221 PolarHBondContact O-N 3.19Å; K219-R221 VanDerWaalsContact C-N 3.29Å; K219-R221 PolarHBondContact O-N 3.05Å
222R64.3Low67.1Low179 Ų179109.8 Ų109.868%0.67553%0.526SS*.THydrogen-bonded Turntrans-84.2-17.2177.4-59.9-178.8-160176.61.6112.5K219 C220 K224K219-R222 WeakPolarHBondContact O-CB 3.36Å; K219-R222 PolarHBondContact O-N 3.13Å; C220-R222 PolarHBondContact O-N 3.35Å; R222-K224 PolarHBondContact O-N 3.38Å
223L62.4Low65.6Low76 Ų76109.4 Ų109.440%0.39852%0.524SS..  trans-72.668.6167.8-74.8103.2000109.8M215 K219 C220 N225M215-L223 HydrophobicContact CE-CD1 3.32Å; M215-L223 HydrophobicContact SD-CD1 3.87Å; K219-L223 WeakPolarHBondContact O-CD1 3.28Å; C220-L223 PolarHBondContact O-N 2.89Å; C220-L223 VanDerWaalsContact O-N 3.13Å; L223-N225 PolarHBondContact O-N 3.08Å; L223-N225 VanDerWaalsContact O-N 3.1Å
224K50.8Low64.4Low187 Ų187108 Ų10881%0.81351%0.512SS*.  trans-81.942174.3-80.3-170.7174.4-178.70112.2R222R222-K224 PolarHBondContact O-N 3.38Å
225N50.6Low62.8Low81 Ų81103.3 Ų103.343%0.43350%0.502SS..  trans-142.895.3171-137.4-9.8000112.7L223 Q227L223-N225 PolarHBondContact O-N 3.08Å; L223-N225 VanDerWaalsContact O-N 3.1Å; N225-Q227 PolarHBondContact O-N 3.47Å; N225-Q227 VanDerWaalsContact O-N 3.14Å
226P44Very low60.8Low129 Ų129107 Ų10784%0.83853%0.528SS*.THydrogen-bonded Turntrans-73.88.6179.728.9-33.1000114.5
227Q42.3Very low58.6Low165 Ų165109.3 Ų109.377%0.77154%0.544SS*.THydrogen-bonded Turntrans-94.47.6-177.2-67-152.3-7.900115.4N225 V229N225-Q227 PolarHBondContact O-N 3.47Å; N225-Q227 VanDerWaalsContact O-N 3.14Å; Q227-V229 PolarHBondContact O-N 3.35Å
228K52.8Low56Low108 Ų108110.1 Ų110.147%0.4755%0.55SS..SBendtrans-69.7106.2166.5-73.5-174.5-178.3175.30108K230K228-K230 PolarHBondContact O-N 3.23Å; K228-K230 VanDerWaalsContact O-N 3.13Å
229V46.4Very low53.6Low129 Ų129110.4 Ų110.478%0.78256%0.559SS**  trans-49119.3173.1178.80000108.2Q227 K231Q227-V229 PolarHBondContact O-N 3.35Å; V229-K231 PolarHBondContact O-N 3.16Å
230K55.8Low51.3Low139 Ų139112.4 Ų112.460%0.60458%0.577SS**  trans-60.2110174.3-66.6-178.8176.2-175.30108.1K228 S232K228-K230 PolarHBondContact O-N 3.23Å; K228-K230 VanDerWaalsContact O-N 3.13Å; K230-S232 PolarHBondContact O-N 2.97Å
231K57.3Low49.5Very low93 Ų93118.9 Ų118.940%0.40460%0.602SS.*  trans-77.4108.7176.2-69.1-179179.6173.60108.3W124 V229W124-K231 HydrophobicContact CE3-CB 3.92Å; W124-K231 HydrophobicContact CH2-CB 4.25Å; W124-K231 HydrophobicContact CZ3-CB 3.59Å; W124-K231 WeakPolarHBondContact CZ3-O 3.43Å; V229-K231 PolarHBondContact O-N 3.16Å
232S59.4Low47.9Very low51 Ų51114.2 Ų114.236%0.35760%0.6SS.*  trans-76.6142.1166.9165.50000109.5D130 K230 Y234 G235D130-S232 PolarHBondContact OD1-OG 2.76Å; K230-S232 PolarHBondContact O-N 2.97Å; S232-Y234 VanDerWaalsContact C-N 3.33Å; S232-Y234 PolarHBondContact OG-N 3.49Å; S232-G235 PolarHBondContact OG-N 3.35Å; S232-G235 VanDerWaalsContact OG-N 3.11Å
233V61.7Low46.4Very low18 Ų18114.6 Ų114.611%0.10961%0.61CS.*SBendtrans-72.1-29.1178.7-179.50000111.4W124 P126 F199W124-V233 HydrophobicContact CE3-CG2 4.04Å; W124-V233 HydrophobicContact CZ3-CG2 3.9Å; P126-V233 HydrophobicContact CB-CG2 4.25Å; F199-V233 HydrophobicContact CE1-CG2 3.71Å; F199-V233 HydrophobicContact CZ-CG2 3.64Å
234Y64.6Low44.9Very low35 Ų35115.5 Ų115.514%0.13762%0.623CS.*SBendtrans-118.713.5-176.5-54.8-73.1000113.7D130 I133 Y134 E196 W200 S232D130-Y234 HydrophobicContact CB-CD2 3.77Å; D130-Y234 HydrophobicContact CB-CE2 3.98Å; D130-Y234 WeakPolarHBondContact O-CE2 3.42Å; I133-Y234 HydrophobicContact CB-CD2 4.21Å; I133-Y234 HydrophobicContact CB-CE2 4.32Å; I133-Y234 HydrophobicContact CD1-CD2 4.18Å; I133-Y234 HydrophobicContact CD1-CG 4.41Å; I133-Y234 HydrophobicContact CG2-CD1 4.43Å; I133-Y234 HydrophobicContact CG2-CD2 4.23Å; I133-Y234 HydrophobicContact CG2-CE2 4.37Å; I133-Y234 HydrophobicContact CG2-CG 4.25Å; Y134-Y234 WeakPolarHBondContact CB-OH 3.41Å; E196-Y234 WeakPolarHBondContact OE1-CE1 3.29Å; E196-Y234 PolarHBondContact OE1-OH 3.34Å; W200-Y234 HydrophobicContact CZ2-CE2 4.15Å; S232-Y234 VanDerWaalsContact C-N 3.33Å; S232-Y234 PolarHBondContact OG-N 3.49Å
235G55.2Low44.2Very low45 Ų45112.3 Ų112.346%0.46462%0.621SS.*  trans-61.2140.117400000111.3S232 T237S232-G235 PolarHBondContact OG-N 3.35Å; S232-G235 VanDerWaalsContact OG-N 3.11Å; G235-T237 PolarHBondContact O-N 2.97Å; G235-T237 VanDerWaalsContact O-N 3.16Å
236V39.8Very low43.5Very low141 Ų141113.9 Ų113.986%0.85563%0.633SS**  trans-63.9115.6172.8-179.80000107.9D238V236-D238 PolarHBondContact O-N 3.19Å
237T39.7Very low43.2Very low111 Ų111113 Ų11368%0.68162%0.617SS**  trans-66.8116.2170.231.70000108.8G235 E239G235-T237 PolarHBondContact O-N 2.97Å; G235-T237 VanDerWaalsContact O-N 3.16Å; T237-E239 PolarHBondContact O-N 3.23Å
238D30Very low42.8Very low134 Ų134111.5 Ų111.572%0.71761%0.614SS**  trans-68.2114.2164.3-144.4-14.3000106.9V236 T240 Q241V236-D238 PolarHBondContact O-N 3.19Å; D238-T240 PolarHBondContact O-N 3.43Å; D238-Q241 PolarHBondContact O-N 3.27Å
239E30.6Very low42Very low179 Ų179110.9 Ų110.984%0.83662%0.62SS**THydrogen-bonded Turntrans-67.421.8-173.5-77.8-88.1144.200113.7T237T237-E239 PolarHBondContact O-N 3.23Å
240T31.3Very low41.9Very low114 Ų114109.3 Ų109.370%0.69962%0.616SS**THydrogen-bonded Turntrans-99.7-3.1173.633.90000114.1D238 S242D238-T240 PolarHBondContact O-N 3.43Å; T240-S242 PolarHBondContact O-N 2.92Å
241Q35.5Very low41.4Very low183 Ų183108.8 Ų108.886%0.85562%0.615SS**  trans-101.865.8174-72.2-174.36.200112.2D238D238-Q241 PolarHBondContact O-N 3.27Å
242S31.8Very low40.9Very low101 Ų101109.7 Ų109.771%0.70663%0.631SS**  trans-68.1132.6154.852.30000109.6T240T240-S242 PolarHBondContact O-N 2.92Å
243Q31.8Very low40.4Very low187 Ų187114.8 Ų114.887%0.87465%0.652SS**SBendtrans99.4130.1169.9-54.3-1741.600115.9
244S31.5Very low40.4Very low96 Ų96123.7 Ų123.767%0.67168%0.684SS**  trans-29.4153.2178-59.40000115.4V246S244-V246 PolarHBondContact O-N 2.73Å
245P37Very low40.8Very low120 Ų120130.8 Ų130.878%0.77972%0.715SS**  trans-70.175.6164.432.6-31.5000108H247P245-H247 VanDerWaalsContact C-N 3.32Å; P245-H247 PolarHBondContact O-N 2.84Å
246V34.5Very low42Very low114 Ų114133.7 Ų133.769%0.69172%0.724SS**  trans-62.3108.8154.4179.30000103.5S244 I248S244-V246 PolarHBondContact O-N 2.73Å; V246-I248 VanDerWaalsContact C-N 3.31Å; V246-I248 PolarHBondContact O-N 3.07Å
247H38.6Very low44.4Very low109 Ų109129.8 Ų129.851%0.50570%0.701SS.*  trans-52.497.2172.4-173.265.4000107.8P245 P249P245-H247 VanDerWaalsContact C-N 3.32Å; P245-H247 PolarHBondContact O-N 2.84Å; H247-P249 VanDerWaalsContact O-CD 3.31Å; H247-P249 WeakPolarHBondContact O-CD 3.48Å
248I33.5Very low46.9Very low135 Ų135131.5 Ų131.569%0.69270%0.699SS**  trans-84.3110.4166.9-59.8174.8000104.6V246 S250V246-I248 VanDerWaalsContact C-N 3.31Å; V246-I248 PolarHBondContact O-N 3.07Å; I248-S250 PolarHBondContact O-N 2.9Å
249P36.8Very low49.9Very low94 Ų94129.3 Ų129.361%0.6169%0.687SS**  trans-65.3110.9175.2-12.628.3000107.2H247H247-P249 VanDerWaalsContact O-CD 3.31Å; H247-P249 WeakPolarHBondContact O-CD 3.48Å
250S44Very low52.8Low97 Ų97123.3 Ų123.368%0.67866%0.661SS**  trans-10658.8-179.148.20000110.5I248I248-S250 PolarHBondContact O-N 2.9Å
251Q45.6Very low55.7Low127 Ų127122.2 Ų122.259%0.59365%0.649SS**SBendtrans-144.6140156.6-73.9-68.5-48.900108.7I253Q251-I253 PolarHBondContact O-N 3.12Å
252P45.5Very low58.6Low113 Ų113119.7 Ų119.773%0.73463%0.632SS**  trans-65.6123174.626.8-30.2000108.7R254P252-R254 PolarHBondContact O-N 3.46Å
253I50.3Low61.6Low157 Ų157121.9 Ų121.981%0.80563%0.629SS**  trans-41.8114.8166.9-63.8166.4000107.4Q251 K255Q251-I253 PolarHBondContact O-N 3.12Å; I253-K255 PolarHBondContact O-N 3.06Å
254R60.3Low64.5Low205 Ų205117.8 Ų117.877%0.77461%0.61SS**  trans-57.2108.1176.5-177.1179.3178-175.9-2106.7P252 T256P252-R254 PolarHBondContact O-N 3.46Å; R254-T256 PolarHBondContact O-N 3.36Å; R254-T256 VanDerWaalsContact O-N 3.11Å
255K74Confident67.6Low185 Ų185117.4 Ų117.480%0.80460%0.599SS**PPolyproline II helixtrans-61.5119.6-178.9-67.3-176.3-179.8179.70107.9I253 T257I253-K255 PolarHBondContact O-N 3.06Å; K255-T257 PolarHBondContact O-N 3.29Å
256T79.6Confident70.4Confident106 Ų106116.4 Ų116.465%0.6559%0.591SS**PPolyproline II helixtrans-50.1124.4177.9-48.50000109.8R254 D260 I261R254-T256 PolarHBondContact O-N 3.36Å; R254-T256 VanDerWaalsContact O-N 3.11Å; T256-D260 HydrophobicContact CG2-CB 4.01Å; T256-I261 HydrophobicContact CG2-CD1 4.48Å; T256-I261 HydrophobicContact CG2-CG1 3.9Å
257T90.8Very high73.3Confident58 Ų58116 Ų11636%0.35658%0.58SS.*PPolyproline II helixtrans-86.7161.6-178.771.40000111K255 D259 D260 I261K255-T257 PolarHBondContact O-N 3.29Å; T257-D259 PolarHBondContact O-N 3.16Å; T257-D260 WeakPolarHBondContact CB-OD2 3.5Å; T257-D260 PolarHBondContact N-OD2 3.03Å; T257-D260 WeakPolarHBondContact O-CB 3.45Å; T257-D260 PolarHBondContact O-N 2.85Å; T257-D260 VanDerWaalsContact O-N 3.16Å; T257-D260 PolarHBondContact OG1-N 3.35Å; T257-D260 PolarHBondContact OG1-OD2 3.01Å; T257-I261 PolarHBondContact O-N 3.35Å; T257-I261 VanDerWaalsContact O-N 3.14Å
258K91.8Very high76.1Confident147 Ų147114.7 Ų114.764%0.63958%0.577SS**Hα-helixtrans-56.8-35.3173.5-175.7179-178.5178.70112.2I261 R262K258-I261 PolarHBondContact O-N 2.75Å; K258-R262 WeakPolarHBondContact O-CG 3.25Å; K258-R262 PolarHBondContact O-N 3.03Å
259D93.2Very high79.1Confident88 Ų88112.4 Ų112.447%0.47157%0.566SS.*Hα-helixtrans-74.5-31.9179.5-67.9-26.7000112.3T257 I261 R262 K263T257-D259 PolarHBondContact O-N 3.16Å; D259-I261 VanDerWaalsContact C-N 3.34Å; D259-R262 PolarHBondContact O-N 3.35Å; D259-R262 IonicContact OD1-CZ 3.27Å; D259-R262 IonicContact OD1-NH1 2.81Å; D259-R262 PolarHBondContact OD1-NH1 3.46Å; D259-K263 WeakPolarHBondContact O-CG 3.39Å; D259-K263 PolarHBondContact O-N 3.24Å
260D91.4Very high81.9Confident53 Ų53110.3 Ų110.328%0.28356%0.557SS.*Hα-helixtrans-63.4-43.1171.3-58.5-41.4000110.7T256 T257 R262 K263 Q264T256-D260 HydrophobicContact CG2-CB 4.01Å; T257-D260 WeakPolarHBondContact CB-OD2 3.5Å; T257-D260 PolarHBondContact N-OD2 3.03Å; T257-D260 WeakPolarHBondContact O-CB 3.45Å; T257-D260 PolarHBondContact O-N 2.85Å; T257-D260 VanDerWaalsContact O-N 3.16Å; T257-D260 PolarHBondContact OG1-N 3.35Å; T257-D260 PolarHBondContact OG1-OD2 3.01Å; D260-R262 PolarHBondContact O-N 3.24Å; D260-K263 PolarHBondContact O-N 2.95Å; D260-Q264 WeakPolarHBondContact O-CB 3.46Å; D260-Q264 PolarHBondContact O-N 3.3Å
261I92.9Very high84.3Confident91 Ų91108.3 Ų108.347%0.46754%0.536SS..Hα-helixtrans-62.4-43.5175.7-63.3172.8000110.8T256 T257 K258 D259 K263 Q264 I265T256-I261 HydrophobicContact CG2-CD1 4.48Å; T256-I261 HydrophobicContact CG2-CG1 3.9Å; T257-I261 PolarHBondContact O-N 3.35Å; T257-I261 VanDerWaalsContact O-N 3.14Å; K258-I261 PolarHBondContact O-N 2.75Å; D259-I261 VanDerWaalsContact C-N 3.34Å; I261-K263 PolarHBondContact O-N 3.36Å; I261-Q264 WeakPolarHBondContact O-CB 3.36Å; I261-Q264 PolarHBondContact O-N 2.91Å; I261-I265 HydrophobicContact CG2-CD1 3.98Å; I261-I265 HydrophobicContact CG2-CG1 4.47Å; I261-I265 WeakPolarHBondContact O-CG1 3.34Å; I261-I265 PolarHBondContact O-N 2.95Å
262R95.4Very high86.7Confident131 Ų131108.5 Ų108.549%0.49454%0.54SS..Hα-helixtrans-60-46.3176.7-76.2169.5170.6166.4-12.6111.9K258 D259 D260 Q264 I265 T266K258-R262 WeakPolarHBondContact O-CG 3.25Å; K258-R262 PolarHBondContact O-N 3.03Å; D259-R262 PolarHBondContact O-N 3.35Å; D259-R262 IonicContact OD1-CZ 3.27Å; D259-R262 IonicContact OD1-NH1 2.81Å; D259-R262 PolarHBondContact OD1-NH1 3.46Å; D260-R262 PolarHBondContact O-N 3.24Å; R262-Q264 VanDerWaalsContact C-N 3.29Å; R262-Q264 PolarHBondContact O-N 3Å; R262-I265 PolarHBondContact O-N 3.32Å; R262-T266 PolarHBondContact O-N 3.48Å; R262-T266 PolarHBondContact O-OG1 3.26Å
263K94.2Very high89.1Confident147 Ų147109.5 Ų109.564%0.63954%0.54SS*.Hα-helixtrans-60-41.5175.6-73.4174.3-178.5175.20111.5D259 D260 I261 T266 F267D259-K263 WeakPolarHBondContact O-CG 3.39Å; D259-K263 PolarHBondContact O-N 3.24Å; D260-K263 PolarHBondContact O-N 2.95Å; I261-K263 PolarHBondContact O-N 3.36Å; K263-T266 PolarHBondContact O-N 3.25Å; K263-F267 WeakPolarHBondContact O-CB 3.4Å; K263-F267 PolarHBondContact O-N 3.49Å
264Q93.9Very high91.2Very high101 Ų101108.7 Ų108.747%0.47253%0.526SS..Hα-helixtrans-62.7-42.5176.8-170.763.321.900111.8D260 I261 R262 F267 L268D260-Q264 WeakPolarHBondContact O-CB 3.46Å; D260-Q264 PolarHBondContact O-N 3.3Å; I261-Q264 WeakPolarHBondContact O-CB 3.36Å; I261-Q264 PolarHBondContact O-N 2.91Å; R262-Q264 VanDerWaalsContact C-N 3.29Å; R262-Q264 PolarHBondContact O-N 3Å; Q264-F267 PolarHBondContact O-N 3.21Å; Q264-L268 HydrophobicContact CG-CD1 4.02Å; Q264-L268 HydrophobicContact CG-CG 4.42Å; Q264-L268 WeakPolarHBondContact O-CB 3.49Å; Q264-L268 VanDerWaalsContact O-CG 3.25Å; Q264-L268 WeakPolarHBondContact O-CG 3.46Å; Q264-L268 PolarHBondContact O-N 3.44Å
265I95.9Very high92.8Very high87 Ų87107.1 Ų107.145%0.44653%0.527SS..Hα-helixtrans-61.7-48.8175.7-68.3165.9000110.5I261 R262 F267 L268 N269I261-I265 HydrophobicContact CG2-CD1 3.98Å; I261-I265 HydrophobicContact CG2-CG1 4.47Å; I261-I265 WeakPolarHBondContact O-CG1 3.34Å; I261-I265 PolarHBondContact O-N 2.95Å; R262-I265 PolarHBondContact O-N 3.32Å; I265-F267 VanDerWaalsContact C-N 3.3Å; I265-F267 PolarHBondContact O-N 2.98Å; I265-L268 PolarHBondContact O-N 3.36Å; I265-N269 WeakPolarHBondContact O-CB 3.48Å; I265-N269 PolarHBondContact O-N 3.02Å
266T96.7Very high93.8Very high100 Ų100103.1 Ų103.161%0.61352%0.522SS*.Hα-helixtrans-57.7-44.4177.2-58.70000111.6R262 K263 A270R262-T266 PolarHBondContact O-N 3.48Å; R262-T266 PolarHBondContact O-OG1 3.26Å; K263-T266 PolarHBondContact O-N 3.25Å; T266-A270 WeakPolarHBondContact O-CB 3.35Å; T266-A270 PolarHBondContact O-N 2.81Å; T266-A270 VanDerWaalsContact O-N 3.08Å
267F95.8Very high94.5Very high105 Ų105104 Ų10446%0.46152%0.522SS..Hα-helixtrans-61.5-47177172.9-98.8000112.3K263 Q264 I265 A270 Q271K263-F267 WeakPolarHBondContact O-CB 3.4Å; K263-F267 PolarHBondContact O-N 3.49Å; Q264-F267 PolarHBondContact O-N 3.21Å; I265-F267 VanDerWaalsContact C-N 3.3Å; I265-F267 PolarHBondContact O-N 2.98Å; F267-A270 PolarHBondContact O-N 2.81Å; F267-Q271 HydrophobicContact CD1-CG 4.32Å; F267-Q271 HydrophobicContact CE1-CG 3.84Å; F267-Q271 HydrophobicContact CE2-CG 4.45Å; F267-Q271 HydrophobicContact CZ-CG 3.92Å; F267-Q271 PolarHBondContact O-N 3.48Å; F267-Q271 PolarHBondContact O-NE2 2.99Å
268L96.4Very high94.9Very high81 Ų81109 Ų10942%0.42454%0.539SS..Hα-helixtrans-67.3-39.9-179.6-71.4173.4000112.3Q264 I265 A270 Q271 I272Q264-L268 HydrophobicContact CG-CD1 4.02Å; Q264-L268 HydrophobicContact CG-CG 4.42Å; Q264-L268 WeakPolarHBondContact O-CB 3.49Å; Q264-L268 VanDerWaalsContact O-CG 3.25Å; Q264-L268 WeakPolarHBondContact O-CG 3.46Å; Q264-L268 PolarHBondContact O-N 3.44Å; I265-L268 PolarHBondContact O-N 3.36Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 2.97Å; L268-Q271 WeakPolarHBondContact O-CB 3.45Å; L268-Q271 PolarHBondContact O-N 2.83Å; L268-I272 WeakPolarHBondContact O-CG1 3.41Å; L268-I272 PolarHBondContact O-N 3.27Å
269N96.7Very high95.2Very high87 Ų87108.3 Ų108.347%0.46554%0.539SS..Hα-helixtrans-59.7-47173.9-72.8-14.7000110.4I265 Q271 I272 D273I265-N269 WeakPolarHBondContact O-CB 3.48Å; I265-N269 PolarHBondContact O-N 3.02Å; N269-Q271 PolarHBondContact O-N 3.04Å; N269-I272 PolarHBondContact O-N 2.81Å; N269-I272 VanDerWaalsContact O-N 3.09Å; N269-D273 PolarHBondContact O-N 3.36Å
270A95.3Very high95.4Very high51 Ų51107.1 Ų107.142%0.42154%0.538SS..Hα-helixtrans-62.5-27.2174.700000113.3T266 F267 L268 R274T266-A270 WeakPolarHBondContact O-CB 3.35Å; T266-A270 PolarHBondContact O-N 2.81Å; T266-A270 VanDerWaalsContact O-N 3.08Å; F267-A270 PolarHBondContact O-N 2.81Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 2.97Å; A270-R274 WeakPolarHBondContact O-CG 3.46Å
271Q95.4Very high95.7Very high54 Ų54110.2 Ų110.225%0.25255%0.549SS..Hα-helixtrans-71.2-38.8173.9-79.5-8.3-127.500112.1F267 L268 N269 D273 R274F267-Q271 HydrophobicContact CD1-CG 4.32Å; F267-Q271 HydrophobicContact CE1-CG 3.84Å; F267-Q271 HydrophobicContact CE2-CG 4.45Å; F267-Q271 HydrophobicContact CZ-CG 3.92Å; F267-Q271 PolarHBondContact O-N 3.48Å; F267-Q271 PolarHBondContact O-NE2 2.99Å; L268-Q271 WeakPolarHBondContact O-CB 3.45Å; L268-Q271 PolarHBondContact O-N 2.83Å; N269-Q271 PolarHBondContact O-N 3.04Å; Q271-D273 VanDerWaalsContact C-N 3.34Å; Q271-R274 PolarHBondContact O-N 2.93Å
272I94.9Very high96Very high131 Ų131108.1 Ų108.167%0.67254%0.54SS*.Hα-helixtrans-67.5-38-178.6-69165.2000110.7L268 N269 R274L268-I272 WeakPolarHBondContact O-CG1 3.41Å; L268-I272 PolarHBondContact O-N 3.27Å; N269-I272 PolarHBondContact O-N 2.81Å; N269-I272 VanDerWaalsContact O-N 3.09Å; I272-R274 PolarHBondContact O-N 3.16Å
273D95.3Very high96.1Very high135 Ų135103.6 Ų103.672%0.72253%0.531SS*.THydrogen-bonded Turntrans-71.4-10.6-178.9-64.3-24.9000113.3N269 Q271 H275N269-D273 PolarHBondContact O-N 3.36Å; Q271-D273 VanDerWaalsContact C-N 3.34Å; D273-H275 PolarHBondContact O-N 3.34Å
274R94.4Very high96.3Very high140 Ų140101.5 Ų101.553%0.52852%0.523SS..SBendtrans-75.6118.9177.9-68.8-170.2-54-146.33111.3A270 Q271 I272 C276A270-R274 WeakPolarHBondContact O-CG 3.46Å; Q271-R274 PolarHBondContact O-N 2.93Å; I272-R274 PolarHBondContact O-N 3.16Å; R274-C276 PolarHBondContact O-N 3.14Å; R274-C276 VanDerWaalsContact O-N 3.16Å; R274-C276 PolarHBondContact O-SG 3.1Å; R274-C276 VanDerWaalsContact O-SG 3.36Å
275H94.4Very high96.5Very high171 Ų171100.3 Ų100.379%0.79253%0.526SS*.  trans-63.8115.3173.9-171.5-82.2000111.1D273D273-H275 PolarHBondContact O-N 3.34Å
276C94.4Very high96.6Very high102 Ų102101.2 Ų101.269%0.68953%0.531SS*.PPolyproline II helixtrans-104144.1179.7-65.40000111.1R274R274-C276 PolarHBondContact O-N 3.14Å; R274-C276 VanDerWaalsContact O-N 3.16Å; R274-C276 PolarHBondContact O-SG 3.1Å; R274-C276 VanDerWaalsContact O-SG 3.36Å
277L95.6Very high96.7Very high125 Ų125101 Ų10165%0.65453%0.525SS*.PPolyproline II helixtrans-93.2152.7173.6-68.1170.4000110.8V282L277-V282 HydrophobicContact CB-CG2 3.76Å; L277-V282 HydrophobicContact CD1-CG2 4.47Å
278K98.1Very high96.8Very high163 Ų16398.5 Ų98.571%0.70952%0.524SS*.PPolyproline II helixtrans-63.1140.4171.6-68.4-176178.2-179.30109.9S280 K281 V282K278-S280 PolarHBondContact O-N 3.24Å; K278-K281 PolarHBondContact O-N 3.09Å; K278-V282 PolarHBondContact O-N 3.39Å; K278-V282 VanDerWaalsContact O-N 3.09Å
279M97.9Very high96.9Very high131 Ų131100.3 Ų100.365%0.64553%0.526SS*.Hα-helixtrans-58.7-35.3-179-167.261.2-120.300112.9K281 V282 A283M279-K281 VanDerWaalsContact C-N 3.32Å; M279-K281 PolarHBondContact O-N 3.03Å; M279-V282 HydrophobicContact CE-CB 3.77Å; M279-V282 HydrophobicContact CE-CG1 3.72Å; M279-V282 PolarHBondContact O-N 3.23Å; M279-A283 HydrophobicContact CE-CB 4.25Å; M279-A283 WeakPolarHBondContact O-CB 3.35Å; M279-A283 PolarHBondContact O-N 3.05Å
280S98Very high97Very high64 Ų64100.3 Ų100.345%0.44853%0.529SS..Hα-helixtrans-59.3-42.2174.453.60000112.4K278 A283 E284K278-S280 PolarHBondContact O-N 3.24Å; S280-A283 PolarHBondContact O-N 2.97Å; S280-E284 WeakPolarHBondContact O-CB 3.38Å; S280-E284 VanDerWaalsContact O-CG 3.24Å; S280-E284 WeakPolarHBondContact O-CG 3.28Å; S280-E284 PolarHBondContact O-N 3.22Å
281K98.3Very high97.1Very high118 Ų118104.1 Ų104.151%0.51354%0.538SS..Hα-helixtrans-70.3-36.8178.2-67.7-62.4171.9-1600113K278 M279 E284 S285K278-K281 PolarHBondContact O-N 3.09Å; M279-K281 VanDerWaalsContact C-N 3.32Å; M279-K281 PolarHBondContact O-N 3.03Å; K281-E284 WeakPolarHBondContact CD-OE2 3.46Å; K281-E284 IonicContact NZ-OE1 3.45Å; K281-E284 IonicContact NZ-OE2 2.96Å; K281-E284 PolarHBondContact NZ-OE2 3.19Å; K281-S285 WeakPolarHBondContact O-CB 3.24Å; K281-S285 PolarHBondContact O-N 2.9Å; K281-S285 VanDerWaalsContact O-N 3.08Å
282V98.3Very high97.2Very high46 Ų46105.2 Ų105.228%0.27954%0.543SS..Hα-helixtrans-64.1-47.7173.2176.60000110.3L277 K278 M279 S285 L286L277-V282 HydrophobicContact CB-CG2 3.76Å; L277-V282 HydrophobicContact CD1-CG2 4.47Å; K278-V282 PolarHBondContact O-N 3.39Å; K278-V282 VanDerWaalsContact O-N 3.09Å; M279-V282 HydrophobicContact CE-CB 3.77Å; M279-V282 HydrophobicContact CE-CG1 3.72Å; M279-V282 PolarHBondContact O-N 3.23Å; V282-S285 PolarHBondContact O-N 3.25Å; V282-L286 HydrophobicContact CG1-CD1 3.92Å; V282-L286 HydrophobicContact CG1-CG 4.41Å; V282-L286 WeakPolarHBondContact O-CG 3.29Å; V282-L286 PolarHBondContact O-N 2.63Å
283A98.5Very high97.3Very high36 Ų36100.3 Ų100.330%0.29852%0.517SS..Hα-helixtrans-62.5-49.1179.500000112.2M279 S280 S285 L286 I287M279-A283 HydrophobicContact CE-CB 4.25Å; M279-A283 WeakPolarHBondContact O-CB 3.35Å; M279-A283 PolarHBondContact O-N 3.05Å; S280-A283 PolarHBondContact O-N 2.97Å; A283-S285 VanDerWaalsContact C-N 3.28Å; A283-S285 PolarHBondContact O-N 2.87Å; A283-L286 PolarHBondContact O-N 2.96Å; A283-I287 WeakPolarHBondContact O-CB 3.5Å; A283-I287 VanDerWaalsContact O-CG1 3.29Å; A283-I287 WeakPolarHBondContact O-CG1 3.38Å; A283-I287 PolarHBondContact O-N 3.22Å
284E98.4Very high97.4Very high103 Ų10396.4 Ų96.448%0.48150%0.498SS..Hα-helixtrans-53.3-45.7175.2-77167.4-157.500111.2S280 K281 A288S280-E284 WeakPolarHBondContact O-CB 3.38Å; S280-E284 VanDerWaalsContact O-CG 3.24Å; S280-E284 WeakPolarHBondContact O-CG 3.28Å; S280-E284 PolarHBondContact O-N 3.22Å; K281-E284 WeakPolarHBondContact CD-OE2 3.46Å; K281-E284 IonicContact NZ-OE1 3.45Å; K281-E284 IonicContact NZ-OE2 2.96Å; K281-E284 PolarHBondContact NZ-OE2 3.19Å; E284-A288 WeakPolarHBondContact O-CB 3.49Å; E284-A288 PolarHBondContact O-N 2.93Å
285S98.1Very high97.5Very high77 Ų7794.5 Ų94.554%0.53850%0.495SS..Hα-helixtrans-67.1-40.3179.9-173.80000113.3K281 V282 A283 Y289K281-S285 WeakPolarHBondContact O-CB 3.24Å; K281-S285 PolarHBondContact O-N 2.9Å; K281-S285 VanDerWaalsContact O-N 3.08Å; V282-S285 PolarHBondContact O-N 3.25Å; A283-S285 VanDerWaalsContact C-N 3.28Å; A283-S285 PolarHBondContact O-N 2.87Å; S285-Y289 WeakPolarHBondContact O-CB 3.43Å; S285-Y289 PolarHBondContact O-N 2.92Å
286L98.5Very high97.5Very high105 Ų10588.5 Ų88.555%0.5547%0.466SS..Hα-helixtrans-70.1-39.2179.8-71.1174.3000111.7V282 A283 T290V282-L286 HydrophobicContact CG1-CD1 3.92Å; V282-L286 HydrophobicContact CG1-CG 4.41Å; V282-L286 WeakPolarHBondContact O-CG 3.29Å; V282-L286 PolarHBondContact O-N 2.63Å; A283-L286 PolarHBondContact O-N 2.96Å; L286-T290 WeakPolarHBondContact O-CB 3.41Å; L286-T290 PolarHBondContact O-N 3.48Å; L286-T290 PolarHBondContact O-OG1 3.24Å
287I98.4Very high97.6Very high95 Ų9586.5 Ų86.549%0.48745%0.448SS..Hα-helixtrans-63.2-53.2175.2-68.2166.4000109.5A283 Y289 T290 E291A283-I287 WeakPolarHBondContact O-CB 3.5Å; A283-I287 VanDerWaalsContact O-CG1 3.29Å; A283-I287 WeakPolarHBondContact O-CG1 3.38Å; A283-I287 PolarHBondContact O-N 3.22Å; I287-Y289 VanDerWaalsContact C-N 3.3Å; I287-Y289 PolarHBondContact O-N 3.44Å; I287-T290 PolarHBondContact O-N 3.24Å; I287-E291 HydrophobicContact CG2-CG 4.23Å; I287-E291 WeakPolarHBondContact CG2-OE1 3.24Å; I287-E291 WeakPolarHBondContact O-CG 3.49Å; I287-E291 PolarHBondContact O-N 2.98Å
288A98.3Very high97.6Very high53 Ų5383.7 Ų83.744%0.43844%0.437SS..Hα-helixtrans-59.8-40-179.500000112.5E284 Q292E284-A288 WeakPolarHBondContact O-CB 3.49Å; E284-A288 PolarHBondContact O-N 2.93Å; A288-Q292 WeakPolarHBondContact O-CB 3.36Å; A288-Q292 PolarHBondContact O-N 2.95Å
289Y98.1Very high97.5Very high120 Ų12085.3 Ų85.347%0.47145%0.445SS..Hα-helixtrans-61.3-48172.8-176.8-91.2000110.8S285 I287 E291 Q292 Y293S285-Y289 WeakPolarHBondContact O-CB 3.43Å; S285-Y289 PolarHBondContact O-N 2.92Å; I287-Y289 VanDerWaalsContact C-N 3.3Å; I287-Y289 PolarHBondContact O-N 3.44Å; Y289-E291 PolarHBondContact O-N 2.93Å; Y289-Q292 WeakPolarHBondContact O-CB 3.36Å; Y289-Q292 PolarHBondContact O-N 3.14Å; Y289-Y293 HydrophobicContact CD1-CD2 4.34Å; Y289-Y293 HydrophobicContact CD2-CD2 4.29Å; Y289-Y293 AromaticContact CD2-CE2 3.82Å; Y289-Y293 HydrophobicContact CD2-CE2 3.82Å; Y289-Y293 HydrophobicContact CE1-CD2 4.08Å; Y289-Y293 HydrophobicContact CE1-CE2 4.2Å; Y289-Y293 HydrophobicContact CE2-CD2 4.03Å; Y289-Y293 AromaticContact CE2-CE2 3.35Å; Y289-Y293 HydrophobicContact CE2-CE2 3.35Å; Y289-Y293 AromaticContact CE2-CZ 3.97Å; Y289-Y293 HydrophobicContact CG-CD2 4.44Å; Y289-Y293 HydrophobicContact CG-CE2 4.42Å; Y289-Y293 AromaticContact CZ-CD2 3.91Å; Y289-Y293 AromaticContact CZ-CE2 3.56Å; Y289-Y293 VanDerWaalsContact O-CD2 3.28Å; Y289-Y293 WeakPolarHBondContact O-CD2 3.49Å; Y289-Y293 PolarHBondContact O-N 3.27Å
290T98.2Very high97.5Very high86 Ų8684.2 Ų84.253%0.52844%0.44SS..Hα-helixtrans-62.4-45.5-179.3-54.30000111.8L286 I287 Q292 Y293 V294L286-T290 WeakPolarHBondContact O-CB 3.41Å; L286-T290 PolarHBondContact O-N 3.48Å; L286-T290 PolarHBondContact O-OG1 3.24Å; I287-T290 PolarHBondContact O-N 3.24Å; T290-Q292 VanDerWaalsContact C-N 3.28Å; T290-Q292 PolarHBondContact O-N 3.03Å; T290-Y293 PolarHBondContact O-N 2.91Å; T290-Y293 VanDerWaalsContact O-N 3.16Å; T290-V294 PolarHBondContact O-N 3.04Å
291E97.7Very high97.3Very high131 Ų13183.4 Ų83.461%0.61243%0.433SS*.Hα-helixtrans-59.9-37.6176.7-71.9175.7168.800112.1I287 Y289 Y293 V294I287-E291 HydrophobicContact CG2-CG 4.23Å; I287-E291 WeakPolarHBondContact CG2-OE1 3.24Å; I287-E291 WeakPolarHBondContact O-CG 3.49Å; I287-E291 PolarHBondContact O-N 2.98Å; Y289-E291 PolarHBondContact O-N 2.93Å; E291-Y293 VanDerWaalsContact C-N 3.28Å; E291-Y293 PolarHBondContact O-N 3.32Å; E291-V294 VanDerWaalsContact O-CG1 3.27Å; E291-V294 WeakPolarHBondContact O-CG1 3.45Å; E291-V294 PolarHBondContact O-N 3.26Å
292Q97.5Very high97.1Very high77 Ų7783 Ų8336%0.3644%0.442SS..Hα-helixtrans-64.1-31.8178.2-17617434.700113A288 Y289 T290 F335A288-Q292 WeakPolarHBondContact O-CB 3.36Å; A288-Q292 PolarHBondContact O-N 2.95Å; Y289-Q292 WeakPolarHBondContact O-CB 3.36Å; Y289-Q292 PolarHBondContact O-N 3.14Å; T290-Q292 VanDerWaalsContact C-N 3.28Å; T290-Q292 PolarHBondContact O-N 3.03Å; Q292-F335 HydrophobicContact CG-CD1 4.02Å; Q292-F335 HydrophobicContact CG-CD2 3.7Å; Q292-F335 HydrophobicContact CG-CE1 4.01Å; Q292-F335 HydrophobicContact CG-CE2 3.69Å; Q292-F335 HydrophobicContact CG-CG 3.85Å; Q292-F335 HydrophobicContact CG-CZ 3.82Å; Q292-F335 VanDerWaalsContact NE2-CG 3.27Å; Q292-F335 VanDerWaalsContact O-CE2 3.28Å; Q292-F335 WeakPolarHBondContact O-CE2 3.45Å; Q292-F335 WeakPolarHBondContact O-CZ 3.44Å
293Y97.5Very high96.7Very high29 Ų2981.9 Ų81.911%0.11444%0.437CS..Hα-helixtrans-101.8-1-177.7-71.6-97.7000113.9Y289 T290 E291 E295 Y296 D297 R332 F335 E339Y289-Y293 HydrophobicContact CD1-CD2 4.34Å; Y289-Y293 HydrophobicContact CD2-CD2 4.29Å; Y289-Y293 AromaticContact CD2-CE2 3.82Å; Y289-Y293 HydrophobicContact CD2-CE2 3.82Å; Y289-Y293 HydrophobicContact CE1-CD2 4.08Å; Y289-Y293 HydrophobicContact CE1-CE2 4.2Å; Y289-Y293 HydrophobicContact CE2-CD2 4.03Å; Y289-Y293 AromaticContact CE2-CE2 3.35Å; Y289-Y293 HydrophobicContact CE2-CE2 3.35Å; Y289-Y293 AromaticContact CE2-CZ 3.97Å; Y289-Y293 HydrophobicContact CG-CD2 4.44Å; Y289-Y293 HydrophobicContact CG-CE2 4.42Å; Y289-Y293 AromaticContact CZ-CD2 3.91Å; Y289-Y293 AromaticContact CZ-CE2 3.56Å; Y289-Y293 VanDerWaalsContact O-CD2 3.28Å; Y289-Y293 WeakPolarHBondContact O-CD2 3.49Å; Y289-Y293 PolarHBondContact O-N 3.27Å; T290-Y293 PolarHBondContact O-N 2.91Å; T290-Y293 VanDerWaalsContact O-N 3.16Å; E291-Y293 VanDerWaalsContact C-N 3.28Å; E291-Y293 PolarHBondContact O-N 3.32Å; Y293-E295 VanDerWaalsContact C-N 3.25Å; Y293-E295 PolarHBondContact O-N 3.39Å; Y293-Y296 CarbonylContact O-C 3.58Å; Y293-Y296 WeakPolarHBondContact O-CA 3.47Å; Y293-Y296 WeakPolarHBondContact O-CB 3.36Å; Y293-Y296 PolarHBondContact O-N 3.47Å; Y293-D297 PolarHBondContact O-N 3Å; Y293-R332 HydrophobicContact CE1-CG 4.36Å; Y293-F335 HydrophobicContact CD1-CD2 4.3Å; Y293-F335 HydrophobicContact CD1-CE2 4.42Å; Y293-F335 HydrophobicContact CD2-CD2 4.43Å; Y293-F335 AromaticContact CE1-CD2 3.82Å; Y293-F335 HydrophobicContact CE1-CD2 3.82Å; Y293-F335 HydrophobicContact CE1-CE2 4.37Å; Y293-F335 AromaticContact CE2-CD2 3.97Å; Y293-F335 HydrophobicContact CE2-CD2 3.97Å; Y293-F335 AromaticContact CZ-CD2 3.65Å; Y293-E339 HydrophobicContact CE1-CG 4.44Å; Y293-E339 VanDerWaalsContact OH-CD 3.32Å; Y293-E339 WeakPolarHBondContact OH-CG 3.45Å; Y293-E339 PolarHBondContact OH-OE1 2.95Å
294V97.3Very high96.3Very high52 Ų5287 Ų8732%0.31546%0.455SS..G310 helixtrans-58.9-35.4-176.977.30000113T290 E291 Y296 D297 I300 T301T290-V294 PolarHBondContact O-N 3.04Å; E291-V294 VanDerWaalsContact O-CG1 3.27Å; E291-V294 WeakPolarHBondContact O-CG1 3.45Å; E291-V294 PolarHBondContact O-N 3.26Å; V294-Y296 PolarHBondContact O-N 2.95Å; V294-D297 PolarHBondContact O-N 2.84Å; V294-I300 HydrophobicContact CG2-CB 4.29Å; V294-I300 HydrophobicContact CG2-CD1 4.11Å; V294-I300 HydrophobicContact CG2-CG2 3.66Å; V294-T301 WeakPolarHBondContact O-CB 3.34Å; V294-T301 PolarHBondContact O-OG1 3.13Å
295E95.4Very high95.9Very high101 Ų10185.6 Ų85.647%0.47246%0.455SS..G310 helixtrans-67.2-15.6175.4-66.9-175.1164.300113Y293 K331Y293-E295 VanDerWaalsContact C-N 3.25Å; Y293-E295 PolarHBondContact O-N 3.39Å; E295-K331 IonicContact OE2-NZ 3.4Å; E295-K331 PolarHBondContact OE2-NZ 3.45Å
296Y94.8Very high95.8Very high45 Ų4583.3 Ų83.318%0.17644%0.439CS..G310 helixtrans-108.8-0.8-176.7-59.8-96.7000112.9Y293 V294 P298 Q328 R332 F335Y293-Y296 CarbonylContact O-C 3.58Å; Y293-Y296 WeakPolarHBondContact O-CA 3.47Å; Y293-Y296 WeakPolarHBondContact O-CB 3.36Å; Y293-Y296 PolarHBondContact O-N 3.47Å; V294-Y296 PolarHBondContact O-N 2.95Å; Y296-P298 VanDerWaalsContact O-CD 3.32Å; Y296-P298 WeakPolarHBondContact O-CD 3.17Å; Y296-Q328 HydrophobicContact CE1-CB 4.01Å; Y296-Q328 WeakPolarHBondContact CE1-O 3.48Å; Y296-Q328 PolarHBondContact OH-O 2.87Å; Y296-Q328 VanDerWaalsContact OH-O 3.11Å; Y296-R332 HydrophobicContact CE1-CB 3.86Å; Y296-R332 HydrophobicContact CE1-CG 4.4Å; Y296-F335 HydrophobicContact CD2-CE2 4.01Å; Y296-F335 HydrophobicContact CD2-CZ 4.44Å; Y296-F335 AromaticContact CE2-CE2 3.43Å; Y296-F335 HydrophobicContact CE2-CE2 3.43Å; Y296-F335 VanDerWaalsContact CE2-CE2 3.43Å; Y296-F335 AromaticContact CE2-CZ 3.5Å; Y296-F335 HydrophobicContact CE2-CZ 3.5Å; Y296-F335 VanDerWaalsContact CE2-CZ 3.5Å; Y296-F335 AromaticContact CZ-CE2 3.97Å; Y296-F335 AromaticContact CZ-CZ 3.95Å
297D96.8Very high95.6Very high59 Ų5979.8 Ų79.832%0.31642%0.421SS..  trans-90.6110.1177.9-170.3-31.4000110.1Y293 V294 F299 I300 T301Y293-D297 PolarHBondContact O-N 3Å; V294-D297 PolarHBondContact O-N 2.84Å; D297-F299 PolarHBondContact O-N 3.15Å; D297-F299 VanDerWaalsContact O-N 3.12Å; D297-F299 WeakPolarHBondContact OD1-CB 3.3Å; D297-F299 PolarHBondContact OD1-N 2.84Å; D297-I300 HydrophobicContact CB-CB 4.36Å; D297-I300 HydrophobicContact CB-CD1 4.34Å; D297-I300 HydrophobicContact CB-CG1 4.35Å; D297-I300 PolarHBondContact O-N 2.74Å; D297-T301 PolarHBondContact O-N 2.65Å; D297-T301 VanDerWaalsContact O-O 3.12Å
298P94.9Very high95.6Very high67 Ų6775.6 Ų75.644%0.43540%0.4SS..THydrogen-bonded Turntrans-66.4-12.8-177.3-20.534.7000114.8Y296 T301 A303Y296-P298 VanDerWaalsContact O-CD 3.32Å; Y296-P298 WeakPolarHBondContact O-CD 3.17Å; P298-T301 WeakPolarHBondContact CA-O 3.45Å; P298-A303 HydrophobicContact CB-CB 4.38Å
299F96.8Very high95.5Very high197 Ų19782.6 Ų82.686%0.86442%0.415SS*.THydrogen-bonded Turntrans-84.1-22.9174.7-66.4-73.6000112.7D297D297-F299 PolarHBondContact O-N 3.15Å; D297-F299 VanDerWaalsContact O-N 3.12Å; D297-F299 WeakPolarHBondContact OD1-CB 3.3Å; D297-F299 PolarHBondContact OD1-N 2.84Å
300I96.7Very high95.4Very high108 Ų10883.7 Ų83.755%0.55443%0.427SS*.THydrogen-bonded Turntrans-105.7-51.5-178.3-56.1176.5000110.4V294 D297V294-I300 HydrophobicContact CG2-CB 4.29Å; V294-I300 HydrophobicContact CG2-CD1 4.11Å; V294-I300 HydrophobicContact CG2-CG2 3.66Å; D297-I300 HydrophobicContact CB-CB 4.36Å; D297-I300 HydrophobicContact CB-CD1 4.34Å; D297-I300 HydrophobicContact CB-CG1 4.35Å; D297-I300 PolarHBondContact O-N 2.74Å
301T95.5Very high95.3Very high47 Ų4782 Ų8229%0.28842%0.419SS..SBendtrans-105.9125.8-179.7-56.40000109.3V294 D297 P298 A303V294-T301 WeakPolarHBondContact O-CB 3.34Å; V294-T301 PolarHBondContact O-OG1 3.13Å; D297-T301 PolarHBondContact O-N 2.65Å; D297-T301 VanDerWaalsContact O-O 3.12Å; P298-T301 WeakPolarHBondContact CA-O 3.45Å; T301-A303 PolarHBondContact O-N 3.21Å
302P93.7Very high95.3Very high110 Ų11082.9 Ų82.971%0.71443%0.428SS*.PPolyproline II helixtrans-55.9126.4177.7-25.734.5000111.9
303A90.6Very high95.2Very high21 Ų2182.1 Ų82.117%0.17443%0.426CS..PPolyproline II helixtrans-69.9136.4177.400000111.2P298 T301 P305 S306 L316P298-A303 HydrophobicContact CB-CB 4.38Å; T301-A303 PolarHBondContact O-N 3.21Å; A303-P305 CarbonylContact O-C 3.4Å; A303-S306 CarbonylContact O-C 3.57Å; A303-S306 WeakPolarHBondContact O-CA 3.38Å; A303-S306 PolarHBondContact O-N 3.22Å; A303-L316 HydrophobicContact CB-CD2 3.72Å
304E88.6Confident95.2Very high143 Ų14385.1 Ų85.167%0.66844%0.444SS*.SBendtrans-100.7129.2177.2-66.7-172.1172.500111.2L316E304-L316 WeakPolarHBondContact O-CD1 3.49Å
305P91.1Very high95.1Very high74 Ų7485.4 Ų85.448%0.48145%0.445SS..SBendcis-80.8-30.611.230-35.1000114.6A303 T315A303-P305 CarbonylContact O-C 3.4Å; P305-T315 HydrophobicContact CG-CG2 4.03Å
306S94.6Very high95Very high29 Ų2981.5 Ų81.520%0.20343%0.428CS..  trans-161.5159.717363.20000110.1A303 P308 S311A303-S306 CarbonylContact O-C 3.57Å; A303-S306 WeakPolarHBondContact O-CA 3.38Å; A303-S306 PolarHBondContact O-N 3.22Å; S306-P308 VanDerWaalsContact O-CD 3.32Å; S306-P308 WeakPolarHBondContact O-CD 3.5Å; S306-S311 WeakPolarHBondContact OG-CB 3.26Å; S306-S311 PolarHBondContact OG-OG 2.74Å
307N95.9Very high95Very high31 Ų3184.1 Ų84.117%0.16644%0.437CS..  trans-74.8116.8172.7-175.7-26.1000109.8W309 I310 S311N307-W309 PolarHBondContact O-N 3.32Å; N307-W309 VanDerWaalsContact O-N 3.08Å; N307-W309 WeakPolarHBondContact OD1-CB 3.37Å; N307-W309 VanDerWaalsContact OD1-CD1 3.23Å; N307-W309 PolarHBondContact OD1-N 3.08Å; N307-W309 VanDerWaalsContact OD1-N 3.09Å; N307-I310 HydrophobicContact CB-CB 4.46Å; N307-I310 HydrophobicContact CB-CD1 4.08Å; N307-I310 HydrophobicContact CB-CG1 4.23Å; N307-I310 PolarHBondContact O-N 2.9Å; N307-S311 PolarHBondContact O-N 3.43Å; N307-S311 PolarHBondContact O-OG 3.4Å; N307-S311 VanDerWaalsContact O-OG 3.05Å
308P96.9Very high94.9Very high7 Ų786 Ų865%0.04545%0.447CS..Hα-helixtrans-57.7-27.8-175.5-27.436.3000114.3S306 I310 D312 D313 L316 W317S306-P308 VanDerWaalsContact O-CD 3.32Å; S306-P308 WeakPolarHBondContact O-CD 3.5Å; P308-I310 PolarHBondContact O-N 3.32Å; P308-D312 WeakPolarHBondContact O-CA 3.32Å; P308-D312 PolarHBondContact O-N 3.21Å; P308-D313 WeakPolarHBondContact CA-O 3.15Å; P308-D313 WeakPolarHBondContact CB-O 3.22Å; P308-D313 WeakPolarHBondContact CG-O 3.47Å; P308-L316 HydrophobicContact CG-CB 3.96Å; P308-L316 HydrophobicContact CG-CD2 4.24Å; P308-W317 HydrophobicContact CB-CD2 4.28Å; P308-W317 HydrophobicContact CB-CH2 4.12Å; P308-W317 HydrophobicContact CB-CZ2 3.85Å; P308-W317 HydrophobicContact CB-CZ3 4.45Å; P308-W317 HydrophobicContact CG-CD2 4.07Å; P308-W317 HydrophobicContact CG-CG 4.29Å; P308-W317 HydrophobicContact CG-CZ2 4.18Å
309W96.9Very high94.7Very high201 Ų20185 Ų8576%0.76144%0.438SS*.Hα-helixtrans-73.6-15.3178.5-57.4108000113.9N307 W317N307-W309 PolarHBondContact O-N 3.32Å; N307-W309 VanDerWaalsContact O-N 3.08Å; N307-W309 WeakPolarHBondContact OD1-CB 3.37Å; N307-W309 VanDerWaalsContact OD1-CD1 3.23Å; N307-W309 PolarHBondContact OD1-N 3.08Å; N307-W309 VanDerWaalsContact OD1-N 3.09Å; W309-W317 HydrophobicContact CD2-CZ2 4.48Å; W309-W317 AromaticContact CE2-CZ2 3.76Å; W309-W317 HydrophobicContact CH2-CH2 4.22Å; W309-W317 HydrophobicContact CH2-CZ2 4.47Å; W309-W317 AromaticContact CZ2-CH2 3.97Å; W309-W317 HydrophobicContact CZ2-CH2 3.97Å; W309-W317 AromaticContact CZ2-CZ2 3.76Å; W309-W317 HydrophobicContact CZ2-CZ2 3.76Å; W309-W317 AromaticContact NE1-CZ2 3.87Å
310I96.7Very high94.4Very high142 Ų14280.9 Ų80.973%0.72842%0.421SS*.Hα-helixtrans-107-38-179.1-57.7177.5000110.4N307 P308N307-I310 HydrophobicContact CB-CB 4.46Å; N307-I310 HydrophobicContact CB-CD1 4.08Å; N307-I310 HydrophobicContact CB-CG1 4.23Å; N307-I310 PolarHBondContact O-N 2.9Å; P308-I310 PolarHBondContact O-N 3.32Å
311S96.5Very high94.2Very high50 Ų5083.4 Ų83.435%0.3543%0.433SS..Hα-helixtrans-98.4-11.5-174600000114.7S306 N307 D313S306-S311 WeakPolarHBondContact OG-CB 3.26Å; S306-S311 PolarHBondContact OG-OG 2.74Å; N307-S311 PolarHBondContact O-N 3.43Å; N307-S311 PolarHBondContact O-OG 3.4Å; N307-S311 VanDerWaalsContact O-OG 3.05Å; S311-D313 PolarHBondContact O-N 2.87Å; S311-D313 VanDerWaalsContact O-N 3.16Å; S311-D313 PolarHBondContact OG-N 3.01Å
312D96.4Very high94Very high150 Ų15083.1 Ų83.180%0.80243%0.433SS*.  trans55.221.5-168-62.4-35.9000113.6P308P308-D312 WeakPolarHBondContact O-CA 3.32Å; P308-D312 PolarHBondContact O-N 3.21Å
313D95.9Very high93.9Very high61 Ų6186.8 Ų86.833%0.32644%0.437SS..  trans-104.7113176.4-179.98.4000110.9P308 S311 T315P308-D313 WeakPolarHBondContact CA-O 3.15Å; P308-D313 WeakPolarHBondContact CB-O 3.22Å; P308-D313 WeakPolarHBondContact CG-O 3.47Å; S311-D313 PolarHBondContact O-N 2.87Å; S311-D313 VanDerWaalsContact O-N 3.16Å; S311-D313 PolarHBondContact OG-N 3.01Å; D313-T315 VanDerWaalsContact C-N 3.25Å; D313-T315 PolarHBondContact O-N 3.31Å; D313-T315 WeakPolarHBondContact OD1-CB 3.44Å; D313-T315 PolarHBondContact OD1-N 3.43Å; D313-T315 PolarHBondContact OD1-OG1 3.18Å; D313-T315 PolarHBondContact OD2-OG1 2.97Å
314I96.9Very high93.9Very high93 Ų9393.2 Ų93.248%0.47746%0.464SS..THydrogen-bonded Turntrans-80-0.4-178.363.5169.8000114.1L316 W317 D318I314-L316 PolarHBondContact O-N 3.21Å; I314-L316 VanDerWaalsContact O-N 3.08Å; I314-W317 HydrophobicContact CB-CE3 4.13Å; I314-W317 HydrophobicContact CG2-CE3 3.88Å; I314-W317 HydrophobicContact CG2-CZ3 3.95Å; I314-W317 PolarHBondContact O-N 2.99Å; I314-D318 PolarHBondContact O-N 2.86Å
315T95.7Very high94Very high57 Ų5787.9 Ų87.935%0.3544%0.441SS..Hα-helixtrans-53.1-35.3-176.2-62.20000112.8P305 D313 D318 I319P305-T315 HydrophobicContact CG-CG2 4.03Å; D313-T315 VanDerWaalsContact C-N 3.25Å; D313-T315 PolarHBondContact O-N 3.31Å; D313-T315 WeakPolarHBondContact OD1-CB 3.44Å; D313-T315 PolarHBondContact OD1-N 3.43Å; D313-T315 PolarHBondContact OD1-OG1 3.18Å; D313-T315 PolarHBondContact OD2-OG1 2.97Å; T315-D318 PolarHBondContact O-N 3.09Å; T315-I319 HydrophobicContact CG2-CD1 3.85Å; T315-I319 HydrophobicContact CG2-CG1 4.38Å; T315-I319 VanDerWaalsContact O-CG1 3.26Å; T315-I319 WeakPolarHBondContact O-CG1 3.16Å; T315-I319 PolarHBondContact O-N 3.4Å
316L93.4Very high94.1Very high19 Ų1986.3 Ų86.310%0.09943%0.432CS..Hα-helixtrans-58.8-48.4175.6176.165.9000111.9A303 E304 P308 I314 D318 I319 E320A303-L316 HydrophobicContact CB-CD2 3.72Å; E304-L316 WeakPolarHBondContact O-CD1 3.49Å; P308-L316 HydrophobicContact CG-CB 3.96Å; P308-L316 HydrophobicContact CG-CD2 4.24Å; I314-L316 PolarHBondContact O-N 3.21Å; I314-L316 VanDerWaalsContact O-N 3.08Å; L316-D318 VanDerWaalsContact C-N 3.33Å; L316-D318 PolarHBondContact O-N 3.23Å; L316-I319 WeakPolarHBondContact O-CB 3.41Å; L316-I319 PolarHBondContact O-N 3.32Å; L316-E320 HydrophobicContact CD1-CG 4.41Å; L316-E320 WeakPolarHBondContact O-CG 3.41Å; L316-E320 PolarHBondContact O-N 3.35Å
317W95.1Very high93.9Very high100 Ų10089.3 Ų89.338%0.37944%0.443SS..Hα-helixtrans-64.8-38.8-179.5-65.2-24.4000111.8P308 W309 I314 I319 E320 M321P308-W317 HydrophobicContact CB-CD2 4.28Å; P308-W317 HydrophobicContact CB-CH2 4.12Å; P308-W317 HydrophobicContact CB-CZ2 3.85Å; P308-W317 HydrophobicContact CB-CZ3 4.45Å; P308-W317 HydrophobicContact CG-CD2 4.07Å; P308-W317 HydrophobicContact CG-CG 4.29Å; P308-W317 HydrophobicContact CG-CZ2 4.18Å; W309-W317 HydrophobicContact CD2-CZ2 4.48Å; W309-W317 AromaticContact CE2-CZ2 3.76Å; W309-W317 HydrophobicContact CH2-CH2 4.22Å; W309-W317 HydrophobicContact CH2-CZ2 4.47Å; W309-W317 AromaticContact CZ2-CH2 3.97Å; W309-W317 HydrophobicContact CZ2-CH2 3.97Å; W309-W317 AromaticContact CZ2-CZ2 3.76Å; W309-W317 HydrophobicContact CZ2-CZ2 3.76Å; W309-W317 AromaticContact NE1-CZ2 3.87Å; I314-W317 HydrophobicContact CB-CE3 4.13Å; I314-W317 HydrophobicContact CG2-CE3 3.88Å; I314-W317 HydrophobicContact CG2-CZ3 3.95Å; I314-W317 PolarHBondContact O-N 2.99Å; W317-I319 VanDerWaalsContact C-N 3.31Å; W317-I319 PolarHBondContact O-N 2.86Å; W317-E320 PolarHBondContact O-N 3.19Å; W317-M321 WeakPolarHBondContact O-CB 3.45Å; W317-M321 WeakPolarHBondContact O-CG 3.46Å; W317-M321 PolarHBondContact O-N 3.2Å
318D94.4Very high93.7Very high98 Ų9892 Ų9252%0.52446%0.455SS..Hα-helixtrans-61.8-40.7174.8-71.6-25.7000111.5I314 T315 L316 M321 S322I314-D318 PolarHBondContact O-N 2.86Å; T315-D318 PolarHBondContact O-N 3.09Å; L316-D318 VanDerWaalsContact C-N 3.33Å; L316-D318 PolarHBondContact O-N 3.23Å; D318-M321 PolarHBondContact O-N 3.32Å; D318-S322 PolarHBondContact O-N 3.45Å; D318-S322 VanDerWaalsContact O-N 3.09Å
319I91.1Very high93.6Very high47 Ų4793.9 Ų93.924%0.24146%0.461CS..Hα-helixtrans-64.6-43.8174.9-68.5165.3000110.8T315 L316 W317 M321 S322T315-I319 HydrophobicContact CG2-CD1 3.85Å; T315-I319 HydrophobicContact CG2-CG1 4.38Å; T315-I319 VanDerWaalsContact O-CG1 3.26Å; T315-I319 WeakPolarHBondContact O-CG1 3.16Å; T315-I319 PolarHBondContact O-N 3.4Å; L316-I319 WeakPolarHBondContact O-CB 3.41Å; L316-I319 PolarHBondContact O-N 3.32Å; W317-I319 VanDerWaalsContact C-N 3.31Å; W317-I319 PolarHBondContact O-N 2.86Å; I319-M321 VanDerWaalsContact C-N 3.35Å; I319-M321 PolarHBondContact O-N 2.97Å; I319-S322 WeakPolarHBondContact O-CB 3.36Å; I319-S322 PolarHBondContact O-N 3.32Å
320E90.5Very high93.5Very high111 Ų11184.3 Ų84.352%0.51943%0.425SS..Hα-helixtrans-66.7-34.1179.4-73-175.816300112.8L316 W317 S322 R329L316-E320 HydrophobicContact CD1-CG 4.41Å; L316-E320 WeakPolarHBondContact O-CG 3.41Å; L316-E320 PolarHBondContact O-N 3.35Å; W317-E320 PolarHBondContact O-N 3.19Å; E320-S322 VanDerWaalsContact C-N 3.32Å; E320-R329 PolarHBondContact O-NH1 3.09Å
321M91.3Very high93.5Very high161 Ų16181.6 Ų81.679%0.79341%0.408SS*.Hα-helixtrans-81.5-10.1176.2-69.5-17564.700113.9W317 D318 I319W317-M321 WeakPolarHBondContact O-CB 3.45Å; W317-M321 WeakPolarHBondContact O-CG 3.46Å; W317-M321 PolarHBondContact O-N 3.2Å; D318-M321 PolarHBondContact O-N 3.32Å; I319-M321 VanDerWaalsContact C-N 3.35Å; I319-M321 PolarHBondContact O-N 2.97Å
322S92.1Very high93.5Very high41 Ų4183.6 Ų83.629%0.28741%0.407SS..  trans-58.6148.1-179.4-176.60000112.5D318 I319 E320 E324 R329D318-S322 PolarHBondContact O-N 3.45Å; D318-S322 VanDerWaalsContact O-N 3.09Å; I319-S322 WeakPolarHBondContact O-CB 3.36Å; I319-S322 PolarHBondContact O-N 3.32Å; E320-S322 VanDerWaalsContact C-N 3.32Å; S322-E324 VanDerWaalsContact C-N 3.25Å; S322-E324 PolarHBondContact OG-N 2.81Å; S322-E324 PolarHBondContact OG-O 3.13Å; S322-R329 PolarHBondContact O-NH1 2.91Å
323K91.3Very high93.6Very high187 Ų18776.6 Ų76.681%0.81337%0.37SS*.SBendtrans-75.1-18.2168.4-67.5-174.3178.1-177.90112.5P325K323-P325 WeakPolarHBondContact O-CD 3.44Å
324E90.8Very high93.6Very high156 Ų15674.9 Ų74.973%0.72937%0.366SS*.SBendtrans-96.5101.8172.1-66.9-178-177.300108.5S322S322-E324 VanDerWaalsContact C-N 3.25Å; S322-E324 PolarHBondContact OG-N 2.81Å; S322-E324 PolarHBondContact OG-O 3.13Å
325P91.5Very high93.6Very high30 Ų3072.4 Ų72.420%0.19535%0.352CS..  trans-73.7144.1-172.832.6-35.3000110.5K323 R329 V330 W333 V345K323-P325 WeakPolarHBondContact O-CD 3.44Å; P325-R329 HydrophobicContact CB-CB 4.37Å; P325-R329 HydrophobicContact CB-CG 4.26Å; P325-V330 HydrophobicContact CB-CG2 3.83Å; P325-V330 HydrophobicContact CG-CG2 3.62Å; P325-W333 HydrophobicContact CB-CH2 4.09Å; P325-W333 HydrophobicContact CB-CZ2 3.97Å; P325-W333 HydrophobicContact CG-CH2 3.76Å; P325-W333 HydrophobicContact CG-CZ2 4.18Å; P325-V345 HydrophobicContact CG-CG1 4.1Å
326S91.3Very high93.7Very high41 Ų4171.1 Ų71.129%0.28735%0.345SS..  trans-68.7160.2171.371.50000111.2Q328 R329 V330S326-Q328 VanDerWaalsContact C-N 3.26Å; S326-Q328 PolarHBondContact O-N 3.01Å; S326-R329 PolarHBondContact O-N 3.05Å; S326-R329 VanDerWaalsContact O-N 3.11Å; S326-R329 WeakPolarHBondContact OG-CB 3.32Å; S326-R329 PolarHBondContact OG-N 3.01Å; S326-V330 WeakPolarHBondContact O-CG2 3.5Å; S326-V330 PolarHBondContact O-N 3.43Å
327Q91.6Very high93.9Very high93 Ų9370.3 Ų70.344%0.43534%0.341SS..Hα-helixtrans-57.4-39.7176.5-173.9177.931.800112.3V330 K331 L451Q327-V330 PolarHBondContact O-N 2.97Å; Q327-K331 WeakPolarHBondContact O-CB 3.4Å; Q327-K331 PolarHBondContact O-N 3.25Å; Q327-L451 HydrophobicContact CG-CD1 4.49Å; Q327-L451 WeakPolarHBondContact CG-O 3.48Å; Q327-L451 PolarHBondContact NE2-O 3.11Å
328Q91.5Very high94Very high88 Ų8868.3 Ų68.341%0.41134%0.338SS..Hα-helixtrans-63.3-45.2176-73.4178.5-18.300111.2Y296 S326 V330 K331 R332Y296-Q328 HydrophobicContact CE1-CB 4.01Å; Y296-Q328 WeakPolarHBondContact CE1-O 3.48Å; Y296-Q328 PolarHBondContact OH-O 2.87Å; Y296-Q328 VanDerWaalsContact OH-O 3.11Å; S326-Q328 VanDerWaalsContact C-N 3.26Å; S326-Q328 PolarHBondContact O-N 3.01Å; Q328-V330 VanDerWaalsContact C-N 3.32Å; Q328-V330 PolarHBondContact O-N 2.81Å; Q328-K331 PolarHBondContact O-N 3.27Å; Q328-R332 PolarHBondContact O-N 3.34Å
329R94.4Very high94.2Very high46 Ų4664.1 Ų64.117%0.17432%0.315CS..Hα-helixtrans-60.2-41.6176.8-174.7172.1172.8-157.3-8.7111.9E320 S322 P325 S326 R332 W333 D343E320-R329 PolarHBondContact O-NH1 3.09Å; S322-R329 PolarHBondContact O-NH1 2.91Å; P325-R329 HydrophobicContact CB-CB 4.37Å; P325-R329 HydrophobicContact CB-CG 4.26Å; S326-R329 PolarHBondContact O-N 3.05Å; S326-R329 VanDerWaalsContact O-N 3.11Å; S326-R329 WeakPolarHBondContact OG-CB 3.32Å; S326-R329 PolarHBondContact OG-N 3.01Å; R329-R332 WeakPolarHBondContact O-CB 3.5Å; R329-R332 PolarHBondContact O-N 2.98Å; R329-W333 VanDerWaalsContact O-CD1 3.26Å; R329-W333 PolarHBondContact O-NE1 3.46Å; R329-D343 IonicContact CZ-OD1 2.85Å; R329-D343 IonicContact CZ-OD2 3.12Å; R329-D343 IonicContact NE-OD1 3.22Å; R329-D343 IonicContact NE-OD2 3.17Å; R329-D343 PolarHBondContact NE-OD2 2.98Å; R329-D343 VanDerWaalsContact NH2-CG 3.33Å; R329-D343 IonicContact NH2-OD1 2.85Å; R329-D343 PolarHBondContact NH2-OD1 3.43Å; R329-D343 IonicContact NH2-OD2 3.82Å; R329-D343 PolarHBondContact NH2-OD2 3.05Å
330V96Very high94.5Very high0 Ų061.9 Ų61.90%030%0.303CS..Hα-helixtrans-66.6-45.1175178.50000111.8P325 S326 Q327 Q328 R332 W333 Y447 L450 L451P325-V330 HydrophobicContact CB-CG2 3.83Å; P325-V330 HydrophobicContact CG-CG2 3.62Å; S326-V330 WeakPolarHBondContact O-CG2 3.5Å; S326-V330 PolarHBondContact O-N 3.43Å; Q327-V330 PolarHBondContact O-N 2.97Å; Q328-V330 VanDerWaalsContact C-N 3.32Å; Q328-V330 PolarHBondContact O-N 2.81Å; V330-R332 PolarHBondContact O-N 2.96Å; V330-W333 HydrophobicContact CB-CE3 4.31Å; V330-W333 HydrophobicContact CB-CZ3 4.42Å; V330-W333 HydrophobicContact CG1-CE3 3.96Å; V330-W333 HydrophobicContact CG1-CZ3 4.15Å; V330-W333 HydrophobicContact CG2-CE3 4.32Å; V330-W333 HydrophobicContact CG2-CH2 4.04Å; V330-W333 HydrophobicContact CG2-CZ2 4.46Å; V330-W333 HydrophobicContact CG2-CZ3 3.95Å; V330-W333 VanDerWaalsContact O-CB 3.29Å; V330-W333 WeakPolarHBondContact O-CB 3.19Å; V330-W333 PolarHBondContact O-N 2.67Å; V330-Y447 HydrophobicContact CG1-CD2 4.19Å; V330-Y447 HydrophobicContact CG1-CE2 3.72Å; V330-Y447 PolarHBondContact O-OH 2.79Å; V330-L450 HydrophobicContact CG1-CB 4.05Å; V330-L450 HydrophobicContact CG2-CB 4.43Å; V330-L451 HydrophobicContact CG1-CB 4.28Å; V330-L451 HydrophobicContact CG1-CD1 4.29Å
331K95.8Very high94.8Very high85 Ų8557 Ų5737%0.3728%0.281SS..Hα-helixtrans-55.2-39.3177.3-178.7-176.2173.9-166.10111.2E295 Q327 Q328 W333 G334 F335 L451E295-K331 IonicContact OE2-NZ 3.4Å; E295-K331 PolarHBondContact OE2-NZ 3.45Å; Q327-K331 WeakPolarHBondContact O-CB 3.4Å; Q327-K331 PolarHBondContact O-N 3.25Å; Q328-K331 PolarHBondContact O-N 3.27Å; K331-W333 VanDerWaalsContact C-N 3.31Å; K331-W333 PolarHBondContact O-N 3.19Å; K331-G334 PolarHBondContact O-N 3.38Å; K331-G334 VanDerWaalsContact O-N 3.13Å; K331-F335 HydrophobicContact CG-CE1 4.29Å; K331-L451 HydrophobicContact CB-CD1 3.9Å
332R96.8Very high95.1Very high92 Ų9255.4 Ų55.435%0.34727%0.27SS..Hα-helixtrans-62.9-32.8178-173.1174167.9173.4-0.2113.3Y293 Y296 Q328 R329 V330 G334 F335 E339Y293-R332 HydrophobicContact CE1-CG 4.36Å; Y296-R332 HydrophobicContact CE1-CB 3.86Å; Y296-R332 HydrophobicContact CE1-CG 4.4Å; Q328-R332 PolarHBondContact O-N 3.34Å; R329-R332 WeakPolarHBondContact O-CB 3.5Å; R329-R332 PolarHBondContact O-N 2.98Å; V330-R332 PolarHBondContact O-N 2.96Å; R332-G334 PolarHBondContact O-N 2.84Å; R332-F335 HydrophobicContact CB-CD2 4.47Å; R332-F335 HydrophobicContact CG-CD2 4.04Å; R332-F335 HydrophobicContact CG-CE2 4.36Å; R332-F335 VanDerWaalsContact O-CB 3.31Å; R332-F335 WeakPolarHBondContact O-CB 3.45Å; R332-F335 WeakPolarHBondContact O-CG 3.5Å; R332-F335 PolarHBondContact O-N 3.15Å; R332-E339 HydrophobicContact CG-CG 4.32Å; R332-E339 IonicContact CZ-OE2 2.77Å; R332-E339 IonicContact NE-OE2 2.92Å; R332-E339 PolarHBondContact NE-OE2 3Å; R332-E339 IonicContact NH2-OE2 3.96Å; R332-E339 PolarHBondContact NH2-OE2 3.17Å; R332-E339 WeakPolarHBondContact O-CB 3.47Å
333W97.5Very high95.3Very high3 Ų354.6 Ų54.61%0.01126%0.262CS..Hα-helixtrans-60-27.6175-58.2-17.4000112.7P325 R329 V330 K331 F335 I340 D343 V345 Q349 Y438 Y447 L450P325-W333 HydrophobicContact CB-CH2 4.09Å; P325-W333 HydrophobicContact CB-CZ2 3.97Å; P325-W333 HydrophobicContact CG-CH2 3.76Å; P325-W333 HydrophobicContact CG-CZ2 4.18Å; R329-W333 VanDerWaalsContact O-CD1 3.26Å; R329-W333 PolarHBondContact O-NE1 3.46Å; V330-W333 HydrophobicContact CB-CE3 4.31Å; V330-W333 HydrophobicContact CB-CZ3 4.42Å; V330-W333 HydrophobicContact CG1-CE3 3.96Å; V330-W333 HydrophobicContact CG1-CZ3 4.15Å; V330-W333 HydrophobicContact CG2-CE3 4.32Å; V330-W333 HydrophobicContact CG2-CH2 4.04Å; V330-W333 HydrophobicContact CG2-CZ2 4.46Å; V330-W333 HydrophobicContact CG2-CZ3 3.95Å; V330-W333 VanDerWaalsContact O-CB 3.29Å; V330-W333 WeakPolarHBondContact O-CB 3.19Å; V330-W333 PolarHBondContact O-N 2.67Å; K331-W333 VanDerWaalsContact C-N 3.31Å; K331-W333 PolarHBondContact O-N 3.19Å; W333-F335 VanDerWaalsContact C-N 3.29Å; W333-F335 PolarHBondContact O-N 2.92Å; W333-I340 HydrophobicContact CB-CB 4.02Å; W333-I340 HydrophobicContact CB-CD1 4.47Å; W333-I340 HydrophobicContact CB-CG1 4.27Å; W333-I340 HydrophobicContact CG-CB 4.39Å; W333-I340 HydrophobicContact CG-CG1 4.36Å; W333-D343 PolarHBondContact NE1-OD2 2.82Å; W333-V345 HydrophobicContact CH2-CB 4.36Å; W333-V345 HydrophobicContact CH2-CG1 3.95Å; W333-V345 HydrophobicContact CZ2-CB 4.14Å; W333-V345 HydrophobicContact CZ2-CG1 4.22Å; W333-Q349 HydrophobicContact CH2-CG 4.4Å; W333-Q349 HydrophobicContact CZ3-CG 4.38Å; W333-Y438 PolarHBondContact O-OH 3.3Å; W333-Y447 HydrophobicContact CB-CE2 4.39Å; W333-Y447 HydrophobicContact CE3-CE2 4.4Å; W333-L450 HydrophobicContact CZ3-CD1 4.23Å
334G96.9Very high95.5Very high24 Ų2450.5 Ų50.525%0.24725%0.246CC..THydrogen-bonded Turntrans-75.6-11.217700000114.8K331 R332 Y438K331-G334 PolarHBondContact O-N 3.38Å; K331-G334 VanDerWaalsContact O-N 3.13Å; R332-G334 PolarHBondContact O-N 2.84Å; G334-Y438 VanDerWaalsContact C-OH 3.29Å; G334-Y438 WeakPolarHBondContact CA-OH 3.28Å; G334-Y438 PolarHBondContact O-OH 3.41Å
335F97.1Very high95.8Very high42 Ų4243.8 Ų43.818%0.18422%0.215CC..THydrogen-bonded Turntrans-71.8-40.1-175.9-67.8-5.5000112.5Q292 Y293 Y296 K331 R332 W333 E339Q292-F335 HydrophobicContact CG-CD1 4.02Å; Q292-F335 HydrophobicContact CG-CD2 3.7Å; Q292-F335 HydrophobicContact CG-CE1 4.01Å; Q292-F335 HydrophobicContact CG-CE2 3.69Å; Q292-F335 HydrophobicContact CG-CG 3.85Å; Q292-F335 HydrophobicContact CG-CZ 3.82Å; Q292-F335 VanDerWaalsContact NE2-CG 3.27Å; Q292-F335 VanDerWaalsContact O-CE2 3.28Å; Q292-F335 WeakPolarHBondContact O-CE2 3.45Å; Q292-F335 WeakPolarHBondContact O-CZ 3.44Å; Y293-F335 HydrophobicContact CD1-CD2 4.3Å; Y293-F335 HydrophobicContact CD1-CE2 4.42Å; Y293-F335 HydrophobicContact CD2-CD2 4.43Å; Y293-F335 AromaticContact CE1-CD2 3.82Å; Y293-F335 HydrophobicContact CE1-CD2 3.82Å; Y293-F335 HydrophobicContact CE1-CE2 4.37Å; Y293-F335 AromaticContact CE2-CD2 3.97Å; Y293-F335 HydrophobicContact CE2-CD2 3.97Å; Y293-F335 AromaticContact CZ-CD2 3.65Å; Y296-F335 HydrophobicContact CD2-CE2 4.01Å; Y296-F335 HydrophobicContact CD2-CZ 4.44Å; Y296-F335 AromaticContact CE2-CE2 3.43Å; Y296-F335 HydrophobicContact CE2-CE2 3.43Å; Y296-F335 VanDerWaalsContact CE2-CE2 3.43Å; Y296-F335 AromaticContact CE2-CZ 3.5Å; Y296-F335 HydrophobicContact CE2-CZ 3.5Å; Y296-F335 VanDerWaalsContact CE2-CZ 3.5Å; Y296-F335 AromaticContact CZ-CE2 3.97Å; Y296-F335 AromaticContact CZ-CZ 3.95Å; K331-F335 HydrophobicContact CG-CE1 4.29Å; R332-F335 HydrophobicContact CB-CD2 4.47Å; R332-F335 HydrophobicContact CG-CD2 4.04Å; R332-F335 HydrophobicContact CG-CE2 4.36Å; R332-F335 VanDerWaalsContact O-CB 3.31Å; R332-F335 WeakPolarHBondContact O-CB 3.45Å; R332-F335 WeakPolarHBondContact O-CG 3.5Å; R332-F335 PolarHBondContact O-N 3.15Å; W333-F335 VanDerWaalsContact C-N 3.29Å; W333-F335 PolarHBondContact O-N 2.92Å; F335-E339 HydrophobicContact CB-CG 4.33Å
336S97.4Very high96Very high30 Ų3042.3 Ų42.321%0.2121%0.206CC..  trans-160.8158.3176.173.10000110.7D338 E339 Y438S336-D338 PolarHBondContact O-N 2.71Å; S336-D338 PolarHBondContact OG-N 3.15Å; S336-E339 PolarHBondContact O-N 3.46Å; S336-E339 PolarHBondContact OG-N 2.86Å; S336-Y438 PolarHBondContact N-OH 3.08Å; S336-Y438 PolarHBondContact O-OH 3.28Å
337F98.1Very high96.3Very high1 Ų142.8 Ų42.80%0.00420%0.202CC..Hα-helixtrans-59.5-29.6174.8-172-137.4000112.4E339 I340 L341 F350 Y430 M433 K434 Y438F337-E339 VanDerWaalsContact C-N 3.34Å; F337-E339 PolarHBondContact O-N 3.4Å; F337-I340 HydrophobicContact CD2-CG2 3.76Å; F337-I340 HydrophobicContact CE2-CG2 4.27Å; F337-I340 WeakPolarHBondContact O-CG2 3.43Å; F337-L341 HydrophobicContact CD1-CD1 3.81Å; F337-L341 HydrophobicContact CD2-CD1 4.36Å; F337-L341 HydrophobicContact CD2-CG 4.21Å; F337-L341 HydrophobicContact CE1-CD1 3.55Å; F337-L341 HydrophobicContact CE1-CG 4.31Å; F337-L341 HydrophobicContact CE2-CD1 4.1Å; F337-L341 HydrophobicContact CE2-CD2 4.11Å; F337-L341 HydrophobicContact CE2-CG 3.95Å; F337-L341 HydrophobicContact CG-CD1 4.23Å; F337-L341 HydrophobicContact CG-CG 4.5Å; F337-L341 HydrophobicContact CZ-CD1 3.7Å; F337-L341 HydrophobicContact CZ-CD2 4.06Å; F337-L341 HydrophobicContact CZ-CG 4Å; F337-L341 WeakPolarHBondContact O-CB 3.47Å; F337-L341 VanDerWaalsContact O-CG 3.28Å; F337-L341 WeakPolarHBondContact O-CG 3.23Å; F337-L341 PolarHBondContact O-N 3.32Å; F337-L341 VanDerWaalsContact O-N 3.12Å; F337-F350 HydrophobicContact CE2-CD1 4.18Å; F337-F350 AromaticContact CE2-CE1 3.51Å; F337-F350 HydrophobicContact CE2-CE1 3.51Å; F337-F350 AromaticContact CE2-CZ 3.86Å; F337-F350 HydrophobicContact CE2-CZ 3.86Å; F337-F350 AromaticContact CZ-CE1 3.91Å; F337-F350 HydrophobicContact CZ-CE1 3.91Å; F337-F350 HydrophobicContact CZ-CZ 4.38Å; F337-Y430 AromaticContact CD1-CD2 3.88Å; F337-Y430 HydrophobicContact CD1-CD2 3.88Å; F337-Y430 HydrophobicContact CD1-CE1 4.38Å; F337-Y430 AromaticContact CD1-CE2 3.5Å; F337-Y430 HydrophobicContact CD1-CE2 3.5Å; F337-Y430 HydrophobicContact CD1-CG 4.49Å; F337-Y430 AromaticContact CD1-CZ 3.77Å; F337-Y430 AromaticContact CE1-CD2 3.76Å; F337-Y430 HydrophobicContact CE1-CD2 3.76Å; F337-Y430 AromaticContact CE1-CE2 3.87Å; F337-Y430 HydrophobicContact CE1-CE2 3.87Å; F337-Y430 HydrophobicContact CE1-CG 4.33Å; F337-M433 HydrophobicContact CE1-CB 3.85Å; F337-M433 HydrophobicContact CE1-CE 4.3Å; F337-M433 HydrophobicContact CE2-CB 4.45Å; F337-M433 HydrophobicContact CZ-CB 3.53Å; F337-M433 HydrophobicContact CZ-CE 4.02Å; F337-M433 HydrophobicContact CZ-SD 4.32Å; F337-K434 HydrophobicContact CB-CB 4.31Å; F337-K434 HydrophobicContact CB-CD 4.23Å; F337-K434 HydrophobicContact CB-CG 3.92Å; F337-K434 HydrophobicContact CD1-CB 3.61Å; F337-K434 HydrophobicContact CD1-CD 4.41Å; F337-K434 HydrophobicContact CD1-CG 4.13Å; F337-K434 HydrophobicContact CE1-CB 4.18Å; F337-K434 HydrophobicContact CG-CB 4.15Å; F337-K434 HydrophobicContact CG-CG 4.31Å; F337-Y438 HydrophobicContact CB-CD1 3.94Å; F337-Y438 HydrophobicContact CB-CD2 4.49Å; F337-Y438 HydrophobicContact CB-CE1 4.11Å; F337-Y438 HydrophobicContact CB-CG 4.14Å; F337-Y438 HydrophobicContact CD2-CD1 4.21Å; F337-Y438 AromaticContact CD2-CD2 3.57Å; F337-Y438 HydrophobicContact CD2-CD2 3.57Å; F337-Y438 HydrophobicContact CD2-CE2 4.26Å; F337-Y438 AromaticContact CD2-CG 3.53Å; F337-Y438 HydrophobicContact CD2-CG 3.53Å; F337-Y438 HydrophobicContact CE2-CD2 4.29Å; F337-Y438 HydrophobicContact CE2-CG 4.28Å; F337-Y438 HydrophobicContact CG-CD1 4.39Å; F337-Y438 HydrophobicContact CG-CD2 4.46Å; F337-Y438 HydrophobicContact CG-CG 4.14Å
338D97.5Very high96.6Very high58 Ų5841.2 Ų41.231%0.3120%0.196SC..Hα-helixtrans-68.1-32.4176.4-58.2-68.9000112.5S336 L341 K342 Y430S336-D338 PolarHBondContact O-N 2.71Å; S336-D338 PolarHBondContact OG-N 3.15Å; D338-L341 PolarHBondContact O-N 3.22Å; D338-K342 WeakPolarHBondContact O-CB 3.5Å; D338-K342 WeakPolarHBondContact O-CD 3.29Å; D338-K342 WeakPolarHBondContact O-CG 3.41Å; D338-K342 PolarHBondContact O-N 3.34Å; D338-Y430 PolarHBondContact OD1-OH 3.04Å; D338-Y430 PolarHBondContact OD2-OH 3.16Å
339E97.9Very high96.8Very high10 Ų1039.2 Ų39.25%0.04719%0.187CC..Hα-helixtrans-67.1-45179.3-70.7-53.7115.100111.8Y293 R332 F335 S336 F337 L341 K342 D343Y293-E339 HydrophobicContact CE1-CG 4.44Å; Y293-E339 VanDerWaalsContact OH-CD 3.32Å; Y293-E339 WeakPolarHBondContact OH-CG 3.45Å; Y293-E339 PolarHBondContact OH-OE1 2.95Å; R332-E339 HydrophobicContact CG-CG 4.32Å; R332-E339 IonicContact CZ-OE2 2.77Å; R332-E339 IonicContact NE-OE2 2.92Å; R332-E339 PolarHBondContact NE-OE2 3Å; R332-E339 IonicContact NH2-OE2 3.96Å; R332-E339 PolarHBondContact NH2-OE2 3.17Å; R332-E339 WeakPolarHBondContact O-CB 3.47Å; F335-E339 HydrophobicContact CB-CG 4.33Å; S336-E339 PolarHBondContact O-N 3.46Å; S336-E339 PolarHBondContact OG-N 2.86Å; F337-E339 VanDerWaalsContact C-N 3.34Å; F337-E339 PolarHBondContact O-N 3.4Å; E339-L341 VanDerWaalsContact C-N 3.33Å; E339-L341 PolarHBondContact O-N 3.21Å; E339-K342 PolarHBondContact O-N 3.26Å; E339-K342 IonicContact OE1-NZ 3.71Å; E339-K342 PolarHBondContact OE1-NZ 2.91Å; E339-D343 PolarHBondContact O-N 3.25Å
340I97.4Very high97Very high0 Ų037 Ų370%018%0.178CC..Hα-helixtrans-66.9-35.9175.6-168.6168.4000111.9W333 F337 D343 R347 F350 Y438 F441W333-I340 HydrophobicContact CB-CB 4.02Å; W333-I340 HydrophobicContact CB-CD1 4.47Å; W333-I340 HydrophobicContact CB-CG1 4.27Å; W333-I340 HydrophobicContact CG-CB 4.39Å; W333-I340 HydrophobicContact CG-CG1 4.36Å; F337-I340 HydrophobicContact CD2-CG2 3.76Å; F337-I340 HydrophobicContact CE2-CG2 4.27Å; F337-I340 WeakPolarHBondContact O-CG2 3.43Å; I340-D343 PolarHBondContact O-N 3.47Å; I340-R347 PolarHBondContact O-N 3.23Å; I340-F350 HydrophobicContact CD1-CB 3.78Å; I340-F350 HydrophobicContact CD1-CD2 4.48Å; I340-F350 HydrophobicContact CD1-CG 4.21Å; I340-F350 HydrophobicContact CG1-CB 4.35Å; I340-Y438 HydrophobicContact CB-CE2 4.42Å; I340-Y438 HydrophobicContact CG2-CD2 3.9Å; I340-Y438 HydrophobicContact CG2-CE2 3.66Å; I340-F441 HydrophobicContact CD1-CD1 3.72Å; I340-F441 HydrophobicContact CD1-CE1 3.22Å; I340-F441 HydrophobicContact CD1-CZ 3.83Å
341L97.3Very high97.1Very high8 Ų838.8 Ų38.84%0.04219%0.188CC..Hα-helixtrans-72.5-25.7178-72.3-179.4000113.3F337 D338 E339 R347 L363 W366 Y430F337-L341 HydrophobicContact CD1-CD1 3.81Å; F337-L341 HydrophobicContact CD2-CD1 4.36Å; F337-L341 HydrophobicContact CD2-CG 4.21Å; F337-L341 HydrophobicContact CE1-CD1 3.55Å; F337-L341 HydrophobicContact CE1-CG 4.31Å; F337-L341 HydrophobicContact CE2-CD1 4.1Å; F337-L341 HydrophobicContact CE2-CD2 4.11Å; F337-L341 HydrophobicContact CE2-CG 3.95Å; F337-L341 HydrophobicContact CG-CD1 4.23Å; F337-L341 HydrophobicContact CG-CG 4.5Å; F337-L341 HydrophobicContact CZ-CD1 3.7Å; F337-L341 HydrophobicContact CZ-CD2 4.06Å; F337-L341 HydrophobicContact CZ-CG 4Å; F337-L341 WeakPolarHBondContact O-CB 3.47Å; F337-L341 VanDerWaalsContact O-CG 3.28Å; F337-L341 WeakPolarHBondContact O-CG 3.23Å; F337-L341 PolarHBondContact O-N 3.32Å; F337-L341 VanDerWaalsContact O-N 3.12Å; D338-L341 PolarHBondContact O-N 3.22Å; E339-L341 VanDerWaalsContact C-N 3.33Å; E339-L341 PolarHBondContact O-N 3.21Å; L341-R347 VanDerWaalsContact O-CD 3.25Å; L341-R347 WeakPolarHBondContact O-CD 3.32Å; L341-R347 WeakPolarHBondContact O-CG 3.35Å; L341-R347 PolarHBondContact O-NH1 3.35Å; L341-L363 HydrophobicContact CD2-CD1 3.59Å; L341-W366 HydrophobicContact CB-CH2 4.27Å; L341-W366 HydrophobicContact CB-CZ3 4.42Å; L341-W366 HydrophobicContact CD1-CE3 4.47Å; L341-W366 HydrophobicContact CD1-CH2 3.84Å; L341-W366 HydrophobicContact CD1-CZ2 3.93Å; L341-W366 HydrophobicContact CD1-CZ3 4.12Å; L341-W366 HydrophobicContact CD2-CE3 4.43Å; L341-W366 HydrophobicContact CD2-CZ3 4.21Å; L341-Y430 HydrophobicContact CD1-CD2 4.05Å; L341-Y430 HydrophobicContact CD1-CE2 3.83Å
342K96.3Very high97.1Very high129 Ų12941.6 Ų41.656%0.56120%0.196SC*.Hα-helixtrans-75.3-36.9174-73.9165.9-161.4166.60111.8D338 E339 R347D338-K342 WeakPolarHBondContact O-CB 3.5Å; D338-K342 WeakPolarHBondContact O-CD 3.29Å; D338-K342 WeakPolarHBondContact O-CG 3.41Å; D338-K342 PolarHBondContact O-N 3.34Å; E339-K342 PolarHBondContact O-N 3.26Å; E339-K342 IonicContact OE1-NZ 3.71Å; E339-K342 PolarHBondContact OE1-NZ 2.91Å; K342-R347 VanDerWaalsContact C-NH1 3.3Å; K342-R347 PolarHBondContact O-NH1 3.35Å
343D96.9Very high97.2Very high24 Ų2438 Ų3813%0.12818%0.183CC..  trans-76.8124.9-178.2-167-52.4000112.3R329 W333 E339 I340 V345 G346 R347R329-D343 IonicContact CZ-OD1 2.85Å; R329-D343 IonicContact CZ-OD2 3.12Å; R329-D343 IonicContact NE-OD1 3.22Å; R329-D343 IonicContact NE-OD2 3.17Å; R329-D343 PolarHBondContact NE-OD2 2.98Å; R329-D343 VanDerWaalsContact NH2-CG 3.33Å; R329-D343 IonicContact NH2-OD1 2.85Å; R329-D343 PolarHBondContact NH2-OD1 3.43Å; R329-D343 IonicContact NH2-OD2 3.82Å; R329-D343 PolarHBondContact NH2-OD2 3.05Å; W333-D343 PolarHBondContact NE1-OD2 2.82Å; E339-D343 PolarHBondContact O-N 3.25Å; I340-D343 PolarHBondContact O-N 3.47Å; D343-V345 PolarHBondContact O-N 3.01Å; D343-V345 WeakPolarHBondContact OD1-CA 3.38Å; D343-V345 PolarHBondContact OD1-N 2.81Å; D343-G346 PolarHBondContact O-N 3.14Å; D343-G346 PolarHBondContact OD1-N 2.92Å; D343-R347 WeakPolarHBondContact O-CG 3.47Å; D343-R347 PolarHBondContact O-N 3.05Å
344Q95.8Very high97.2Very high100 Ų10037.9 Ų37.947%0.46718%0.183SC..Hα-helixtrans-62.2-44.4178.6-178.562.956.600112.8G346 R347 D348Q344-G346 VanDerWaalsContact C-N 3.32Å; Q344-R347 PolarHBondContact O-N 3.22Å; Q344-D348 PolarHBondContact NE2-OD1 3.34Å; Q344-D348 PolarHBondContact O-N 3.05Å
345V96.4Very high97.1Very high15 Ų1540.6 Ų40.69%0.09119%0.189CC..Hα-helixtrans-70-37.6179.8-177.50000109.5P325 W333 D343 D348 Q349P325-V345 HydrophobicContact CG-CG1 4.1Å; W333-V345 HydrophobicContact CH2-CB 4.36Å; W333-V345 HydrophobicContact CH2-CG1 3.95Å; W333-V345 HydrophobicContact CZ2-CB 4.14Å; W333-V345 HydrophobicContact CZ2-CG1 4.22Å; D343-V345 PolarHBondContact O-N 3.01Å; D343-V345 WeakPolarHBondContact OD1-CA 3.38Å; D343-V345 PolarHBondContact OD1-N 2.81Å; V345-D348 PolarHBondContact O-N 3.12Å; V345-Q349 HydrophobicContact CG1-CG 4.44Å; V345-Q349 WeakPolarHBondContact O-CG 3.33Å; V345-Q349 PolarHBondContact O-N 3.45Å
346G96.9Very high97Very high0 Ų042.5 Ų42.50%021%0.207CC..Hα-helixtrans-57.7-48.7172.800000112.3D343 Q344 D348 Q349 F350D343-G346 PolarHBondContact O-N 3.14Å; D343-G346 PolarHBondContact OD1-N 2.92Å; Q344-G346 VanDerWaalsContact C-N 3.32Å; G346-D348 PolarHBondContact O-N 2.87Å; G346-Q349 PolarHBondContact O-N 3.31Å; G346-F350 WeakPolarHBondContact O-CB 3.39Å; G346-F350 PolarHBondContact O-N 3.4Å
347R97.7Very high96.9Very high51 Ų5144.3 Ų44.319%0.19221%0.212CC..Hα-helixtrans-56.8-45.8173.6-74.6-168.8-64.5-94.73.8112.3I340 L341 K342 D343 Q344 Q349 F350 L351I340-R347 PolarHBondContact O-N 3.23Å; L341-R347 VanDerWaalsContact O-CD 3.25Å; L341-R347 WeakPolarHBondContact O-CD 3.32Å; L341-R347 WeakPolarHBondContact O-CG 3.35Å; L341-R347 PolarHBondContact O-NH1 3.35Å; K342-R347 VanDerWaalsContact C-NH1 3.3Å; K342-R347 PolarHBondContact O-NH1 3.35Å; D343-R347 WeakPolarHBondContact O-CG 3.47Å; D343-R347 PolarHBondContact O-N 3.05Å; Q344-R347 PolarHBondContact O-N 3.22Å; R347-Q349 PolarHBondContact O-N 3.39Å; R347-F350 PolarHBondContact O-N 2.97Å; R347-L351 VanDerWaalsContact O-CB 3.3Å; R347-L351 WeakPolarHBondContact O-CB 3.27Å; R347-L351 PolarHBondContact O-N 2.9Å
348D96.9Very high96.6Very high60 Ų6053 Ų5332%0.32125%0.25SS..Hα-helixtrans-64.1-41.6-178.6-64.7-12.9000111.5Q344 V345 G346 R352Q344-D348 PolarHBondContact NE2-OD1 3.34Å; Q344-D348 PolarHBondContact O-N 3.05Å; V345-D348 PolarHBondContact O-N 3.12Å; G346-D348 PolarHBondContact O-N 2.87Å; D348-R352 WeakPolarHBondContact O-CG 3.47Å; D348-R352 PolarHBondContact O-N 3.2Å; D348-R352 VanDerWaalsContact O-N 3.08Å
349Q96.8Very high96.4Very high45 Ų4551 Ų5121%0.2124%0.241CC..Hα-helixtrans-69.1-40.2177-63.9-62.6-2.600112W333 V345 G346 R347 R352 F353 F441 L450W333-Q349 HydrophobicContact CH2-CG 4.4Å; W333-Q349 HydrophobicContact CZ3-CG 4.38Å; V345-Q349 HydrophobicContact CG1-CG 4.44Å; V345-Q349 WeakPolarHBondContact O-CG 3.33Å; V345-Q349 PolarHBondContact O-N 3.45Å; G346-Q349 PolarHBondContact O-N 3.31Å; R347-Q349 PolarHBondContact O-N 3.39Å; Q349-R352 VanDerWaalsContact NE2-NH1 3.12Å; Q349-R352 PolarHBondContact O-N 3.3Å; Q349-F353 PolarHBondContact O-N 3.48Å; Q349-F353 VanDerWaalsContact O-N 3.09Å; Q349-F441 HydrophobicContact CB-CZ 4.42Å; Q349-L450 HydrophobicContact CB-CD1 4.38Å; Q349-L450 HydrophobicContact CG-CD1 3.87Å
350F97.9Very high96.4Very high0 Ų051.1 Ų51.10%024%0.243CC..Hα-helixtrans-64.5-42175.3-172.8-128.7000111.5F337 I340 G346 R347 R352 F353 L354 L363 M433 F441F337-F350 HydrophobicContact CE2-CD1 4.18Å; F337-F350 AromaticContact CE2-CE1 3.51Å; F337-F350 HydrophobicContact CE2-CE1 3.51Å; F337-F350 AromaticContact CE2-CZ 3.86Å; F337-F350 HydrophobicContact CE2-CZ 3.86Å; F337-F350 AromaticContact CZ-CE1 3.91Å; F337-F350 HydrophobicContact CZ-CE1 3.91Å; F337-F350 HydrophobicContact CZ-CZ 4.38Å; I340-F350 HydrophobicContact CD1-CB 3.78Å; I340-F350 HydrophobicContact CD1-CD2 4.48Å; I340-F350 HydrophobicContact CD1-CG 4.21Å; I340-F350 HydrophobicContact CG1-CB 4.35Å; G346-F350 WeakPolarHBondContact O-CB 3.39Å; G346-F350 PolarHBondContact O-N 3.4Å; R347-F350 PolarHBondContact O-N 2.97Å; F350-R352 PolarHBondContact O-N 3.31Å; F350-F353 HydrophobicContact CD2-CD1 4.32Å; F350-F353 HydrophobicContact CE2-CD1 4.29Å; F350-F353 WeakPolarHBondContact O-CB 3.44Å; F350-F353 PolarHBondContact O-N 2.93Å; F350-L354 HydrophobicContact CD1-CD1 4.12Å; F350-L354 HydrophobicContact CE1-CD1 3.76Å; F350-L354 HydrophobicContact CE1-CG 4.37Å; F350-L354 HydrophobicContact CE2-CD2 4.11Å; F350-L354 HydrophobicContact CE2-CG 4.26Å; F350-L354 HydrophobicContact CZ-CD1 3.99Å; F350-L354 HydrophobicContact CZ-CD2 4Å; F350-L354 HydrophobicContact CZ-CG 4.18Å; F350-L354 WeakPolarHBondContact O-CG 3.48Å; F350-L354 PolarHBondContact O-N 2.79Å; F350-L363 HydrophobicContact CD1-CD1 4.35Å; F350-L363 HydrophobicContact CD1-CD2 3.7Å; F350-L363 HydrophobicContact CE1-CD1 4.49Å; F350-L363 HydrophobicContact CE1-CD2 4.3Å; F350-M433 HydrophobicContact CE1-SD 4.38Å; F350-F441 HydrophobicContact CD2-CB 3.75Å; F350-F441 HydrophobicContact CD2-CD1 4.13Å; F350-F441 AromaticContact CD2-CD2 3.92Å; F350-F441 HydrophobicContact CD2-CD2 3.92Å; F350-F441 AromaticContact CD2-CG 3.65Å; F350-F441 HydrophobicContact CD2-CG 3.65Å; F350-F441 HydrophobicContact CE2-CB 3.74Å; F350-F441 HydrophobicContact CE2-CG 4.17Å
351L97.8Very high96.3Very high38 Ų3853.1 Ų53.120%0.19925%0.252CS..Hα-helixtrans-59.9-47.2176-178.162.9000111.8R347 F353 L354 E355 L363 R364R347-L351 VanDerWaalsContact O-CB 3.3Å; R347-L351 WeakPolarHBondContact O-CB 3.27Å; R347-L351 PolarHBondContact O-N 2.9Å; L351-F353 VanDerWaalsContact C-N 3.27Å; L351-F353 PolarHBondContact O-N 2.91Å; L351-L354 PolarHBondContact O-N 3.07Å; L351-L354 VanDerWaalsContact O-N 3.13Å; L351-E355 WeakPolarHBondContact O-CG 3.13Å; L351-E355 PolarHBondContact O-N 3.11Å; L351-L363 HydrophobicContact CB-CD2 3.82Å; L351-L363 HydrophobicContact CD1-CD2 4.02Å; L351-R364 HydrophobicContact CD1-CG 4.16Å
352R96.9Very high96.3Very high143 Ų14353.3 Ų53.354%0.5425%0.254SS..Hα-helixtrans-59.2-39.5176.6-73.4176.1-169.5144.14.2112.4D348 Q349 F350 E355 S356D348-R352 WeakPolarHBondContact O-CG 3.47Å; D348-R352 PolarHBondContact O-N 3.2Å; D348-R352 VanDerWaalsContact O-N 3.08Å; Q349-R352 VanDerWaalsContact NE2-NH1 3.12Å; Q349-R352 PolarHBondContact O-N 3.3Å; F350-R352 PolarHBondContact O-N 3.31Å; R352-E355 PolarHBondContact O-N 3.28Å; R352-S356 PolarHBondContact O-N 2.91Å; R352-S356 VanDerWaalsContact O-N 3.07Å
353F97.5Very high96.4Very high18 Ų1847.2 Ų47.28%0.07923%0.227CC..Hα-helixtrans-61.9-47.9174.4169.4-99.8000111.1Q349 F350 L351 E355 S356 E357 R440 F441Q349-F353 PolarHBondContact O-N 3.48Å; Q349-F353 VanDerWaalsContact O-N 3.09Å; F350-F353 HydrophobicContact CD2-CD1 4.32Å; F350-F353 HydrophobicContact CE2-CD1 4.29Å; F350-F353 WeakPolarHBondContact O-CB 3.44Å; F350-F353 PolarHBondContact O-N 2.93Å; L351-F353 VanDerWaalsContact C-N 3.27Å; L351-F353 PolarHBondContact O-N 2.91Å; F353-E355 VanDerWaalsContact C-N 3.32Å; F353-E355 PolarHBondContact O-N 3.28Å; F353-S356 WeakPolarHBondContact O-CB 3.45Å; F353-S356 PolarHBondContact O-N 3.25Å; F353-S356 VanDerWaalsContact O-N 3.14Å; F353-S356 PolarHBondContact O-OG 2.9Å; F353-E357 HydrophobicContact CE2-CG 4.39Å; F353-E357 HydrophobicContact CZ-CG 4.26Å; F353-E357 VanDerWaalsContact CZ-OE1 3.23Å; F353-E357 WeakPolarHBondContact CZ-OE1 3.33Å; F353-E357 WeakPolarHBondContact CZ-OE2 3.36Å; F353-E357 PolarHBondContact O-N 3.16Å; F353-R440 HydrophobicContact CE1-CB 4.44Å; F353-R440 HydrophobicContact CZ-CB 4.04Å; F353-F441 HydrophobicContact CB-CD2 3.71Å; F353-F441 HydrophobicContact CB-CE2 4.19Å; F353-F441 HydrophobicContact CD1-CB 3.78Å; F353-F441 AromaticContact CD1-CD2 3.92Å; F353-F441 HydrophobicContact CD1-CD2 3.92Å; F353-F441 HydrophobicContact CD1-CG 4.33Å; F353-F441 HydrophobicContact CD2-CD2 4.3Å; F353-F441 HydrophobicContact CE1-CB 3.83Å; F353-F441 HydrophobicContact CG-CB 4.34Å; F353-F441 AromaticContact CG-CD2 3.7Å; F353-F441 HydrophobicContact CG-CD2 3.7Å; F353-F441 HydrophobicContact CZ-CB 4.41Å
354L96.9Very high96.4Very high0 Ų050.4 Ų50.40%024%0.237CC..Hα-helixtrans-63.5-35.9177.5-63.4176000112.9F350 L351 S356 E357 F358 S359 L363F350-L354 HydrophobicContact CD1-CD1 4.12Å; F350-L354 HydrophobicContact CE1-CD1 3.76Å; F350-L354 HydrophobicContact CE1-CG 4.37Å; F350-L354 HydrophobicContact CE2-CD2 4.11Å; F350-L354 HydrophobicContact CE2-CG 4.26Å; F350-L354 HydrophobicContact CZ-CD1 3.99Å; F350-L354 HydrophobicContact CZ-CD2 4Å; F350-L354 HydrophobicContact CZ-CG 4.18Å; F350-L354 WeakPolarHBondContact O-CG 3.48Å; F350-L354 PolarHBondContact O-N 2.79Å; L351-L354 PolarHBondContact O-N 3.07Å; L351-L354 VanDerWaalsContact O-N 3.13Å; L354-S356 VanDerWaalsContact C-N 3.31Å; L354-S356 PolarHBondContact O-N 3.47Å; L354-E357 CarbonylContact O-C 3.55Å; L354-E357 PolarHBondContact O-N 3.32Å; L354-E357 VanDerWaalsContact O-N 3.17Å; L354-F358 PolarHBondContact O-N 2.91Å; L354-S359 PolarHBondContact O-N 3.13Å; L354-S359 PolarHBondContact O-OG 2.96Å; L354-L363 HydrophobicContact CD1-CB 3.54Å; L354-L363 HydrophobicContact CD1-CD2 3.93Å; L354-L363 HydrophobicContact CD1-CG 4.37Å
355E96.4Very high96.5Very high81 Ų8145.7 Ų45.738%0.37922%0.215SC..Hα-helixtrans-62.9-39174.2-73.9174.6166.200111.5L351 R352 F353 E357 F358 R364L351-E355 WeakPolarHBondContact O-CG 3.13Å; L351-E355 PolarHBondContact O-N 3.11Å; R352-E355 PolarHBondContact O-N 3.28Å; F353-E355 VanDerWaalsContact C-N 3.32Å; F353-E355 PolarHBondContact O-N 3.28Å; E355-E357 PolarHBondContact O-N 3.04Å; E355-F358 PolarHBondContact O-N 3.36Å; E355-F358 VanDerWaalsContact O-N 3.16Å; E355-R364 IonicContact OE1-CZ 3.08Å; E355-R364 IonicContact OE1-NH2 2.8Å; E355-R364 PolarHBondContact OE1-NH2 3.02Å
356S94.9Very high96.6Very high82 Ų8246.3 Ų46.357%0.57322%0.216SC*.Hα-helixtrans-66.1-22.8175.478.10000113.5R352 F353 L354R352-S356 PolarHBondContact O-N 2.91Å; R352-S356 VanDerWaalsContact O-N 3.07Å; F353-S356 WeakPolarHBondContact O-CB 3.45Å; F353-S356 PolarHBondContact O-N 3.25Å; F353-S356 VanDerWaalsContact O-N 3.14Å; F353-S356 PolarHBondContact O-OG 2.9Å; L354-S356 VanDerWaalsContact C-N 3.31Å; L354-S356 PolarHBondContact O-N 3.47Å
357E94.4Very high96.6Very high67 Ų6749 Ų4931%0.31323%0.23SC..THydrogen-bonded Turntrans-103.89.7176.4-62.8-168.3149.900113.1F353 L354 E355 S359 R440F353-E357 HydrophobicContact CE2-CG 4.39Å; F353-E357 HydrophobicContact CZ-CG 4.26Å; F353-E357 VanDerWaalsContact CZ-OE1 3.23Å; F353-E357 WeakPolarHBondContact CZ-OE1 3.33Å; F353-E357 WeakPolarHBondContact CZ-OE2 3.36Å; F353-E357 PolarHBondContact O-N 3.16Å; L354-E357 CarbonylContact O-C 3.55Å; L354-E357 PolarHBondContact O-N 3.32Å; L354-E357 VanDerWaalsContact O-N 3.17Å; E355-E357 PolarHBondContact O-N 3.04Å; E357-S359 VanDerWaalsContact C-N 3.27Å; E357-S359 PolarHBondContact O-N 2.95Å; E357-R440 IonicContact OE1-NH1 2.63Å; E357-R440 PolarHBondContact OE1-NH1 3.11Å; E357-R440 IonicContact OE2-CZ 3.19Å; E357-R440 IonicContact OE2-NH1 2.67Å; E357-R440 PolarHBondContact OE2-NH1 3.03Å; E357-R440 IonicContact OE2-NH2 2.89Å
358F91.3Very high96.6Very high184 Ų18447.4 Ų47.481%0.80723%0.226SC*.THydrogen-bonded Turntrans52.640.5-178.4-54.1-87.1000113.9L354 E355L354-F358 PolarHBondContact O-N 2.91Å; E355-F358 PolarHBondContact O-N 3.36Å; E355-F358 VanDerWaalsContact O-N 3.16Å
359S94.6Very high96.7Very high15 Ų1544.6 Ų44.611%0.10521%0.211CC..  trans-13221-178.559.40000114.1L354 E357 E361 N362L354-S359 PolarHBondContact O-N 3.13Å; L354-S359 PolarHBondContact O-OG 2.96Å; E357-S359 VanDerWaalsContact C-N 3.27Å; E357-S359 PolarHBondContact O-N 2.95Å; S359-E361 VanDerWaalsContact C-N 3.3Å; S359-E361 WeakPolarHBondContact CA-OE1 3.27Å; S359-E361 WeakPolarHBondContact CA-OE2 3.43Å; S359-E361 PolarHBondContact O-N 3.03Å; S359-N362 PolarHBondContact O-ND2 2.77Å
360S96.4Very high96.7Very high14 Ų1445 Ų4510%0.09821%0.213CC..THydrogen-bonded Turntrans-70.3-21-175.169.10000114.8N362 L363 R364S360-N362 PolarHBondContact O-N 2.91Å; S360-L363 PolarHBondContact O-N 2.83Å; S360-R364 WeakPolarHBondContact O-CG 3.48Å; S360-R364 PolarHBondContact O-N 2.85Å
361E97Very high96.6Very high42 Ų4247.9 Ų47.920%0.19623%0.229CC..Hα-helixtrans-56.5-35.6179.566.7-70.9163.100112.3S359 R364 F365 I400S359-E361 VanDerWaalsContact C-N 3.3Å; S359-E361 WeakPolarHBondContact CA-OE1 3.27Å; S359-E361 WeakPolarHBondContact CA-OE2 3.43Å; S359-E361 PolarHBondContact O-N 3.03Å; E361-R364 PolarHBondContact O-N 3.46Å; E361-F365 VanDerWaalsContact O-CB 3.32Å; E361-F365 WeakPolarHBondContact O-CB 3.27Å; E361-F365 PolarHBondContact O-N 2.91Å; E361-I400 HydrophobicContact CB-CG2 4.09Å; E361-I400 HydrophobicContact CG-CG2 3.87Å
362N96.6Very high96.6Very high12 Ų1246 Ų466%0.06422%0.219CC..Hα-helixtrans-62.8-46.5179.2-65.6-45.2000112.1S359 S360 W366 I429 M433S359-N362 PolarHBondContact O-ND2 2.77Å; S360-N362 PolarHBondContact O-N 2.91Å; N362-W366 WeakPolarHBondContact O-CB 2.96Å; N362-W366 PolarHBondContact O-N 3.48Å; N362-I429 HydrophobicContact CB-CG2 3.86Å; N362-I429 WeakPolarHBondContact O-CG2 3.39Å; N362-M433 HydrophobicContact CB-CG 3.93Å; N362-M433 HydrophobicContact CB-SD 3.76Å
363L97.6Very high96.6Very high0 Ų041.7 Ų41.70%020%0.204CC..Hα-helixtrans-71.3-40178.7-179.361.2000111.1L341 F350 L351 L354 S360 W366 L367 M433L341-L363 HydrophobicContact CD2-CD1 3.59Å; F350-L363 HydrophobicContact CD1-CD1 4.35Å; F350-L363 HydrophobicContact CD1-CD2 3.7Å; F350-L363 HydrophobicContact CE1-CD1 4.49Å; F350-L363 HydrophobicContact CE1-CD2 4.3Å; L351-L363 HydrophobicContact CB-CD2 3.82Å; L351-L363 HydrophobicContact CD1-CD2 4.02Å; L354-L363 HydrophobicContact CD1-CB 3.54Å; L354-L363 HydrophobicContact CD1-CD2 3.93Å; L354-L363 HydrophobicContact CD1-CG 4.37Å; S360-L363 PolarHBondContact O-N 2.83Å; L363-W366 PolarHBondContact O-N 2.88Å; L363-L367 HydrophobicContact CD1-CD1 4.21Å; L363-L367 HydrophobicContact CD1-CG 4.16Å; L363-L367 HydrophobicContact CG-CD1 3.95Å; L363-L367 HydrophobicContact CG-CG 4.35Å; L363-L367 WeakPolarHBondContact O-CB 3.38Å; L363-L367 VanDerWaalsContact O-CG 3.25Å; L363-L367 WeakPolarHBondContact O-CG 3.42Å; L363-L367 PolarHBondContact O-N 2.73Å; L363-M433 HydrophobicContact CB-SD 3.92Å; L363-M433 HydrophobicContact CD1-CE 4.5Å; L363-M433 HydrophobicContact CD1-SD 4.43Å
364R97.9Very high96.6Very high92 Ų9248.6 Ų48.635%0.34723%0.234SC..Hα-helixtrans-61.6-45.7176.9-69.5178-172.41804.3111.5L351 E355 S360 E361 L367 S368 F391L351-R364 HydrophobicContact CD1-CG 4.16Å; E355-R364 IonicContact OE1-CZ 3.08Å; E355-R364 IonicContact OE1-NH2 2.8Å; E355-R364 PolarHBondContact OE1-NH2 3.02Å; S360-R364 WeakPolarHBondContact O-CG 3.48Å; S360-R364 PolarHBondContact O-N 2.85Å; E361-R364 PolarHBondContact O-N 3.46Å; R364-L367 PolarHBondContact O-N 3.27Å; R364-S368 WeakPolarHBondContact O-CB 3.43Å; R364-S368 PolarHBondContact O-N 2.68Å; R364-S368 PolarHBondContact O-OG 3.45Å; R364-F391 HydrophobicContact CB-CE1 3.95Å; R364-F391 HydrophobicContact CB-CZ 3.96Å
365F98.2Very high96.6Very high0 Ų050.9 Ų50.90%025%0.245CC..Hα-helixtrans-57.3-51.5173170.9-105.7000111.1E361 L367 S368 V369 I387 F391 L392 I400 F422 A425 I429E361-F365 VanDerWaalsContact O-CB 3.32Å; E361-F365 WeakPolarHBondContact O-CB 3.27Å; E361-F365 PolarHBondContact O-N 2.91Å; F365-L367 VanDerWaalsContact C-N 3.3Å; F365-L367 PolarHBondContact O-N 3.3Å; F365-S368 WeakPolarHBondContact O-CB 3.38Å; F365-S368 PolarHBondContact O-N 2.75Å; F365-S368 VanDerWaalsContact O-N 3.14Å; F365-V369 HydrophobicContact CD2-CG2 4.19Å; F365-V369 HydrophobicContact CE1-CG2 4.15Å; F365-V369 HydrophobicContact CE2-CG2 3.74Å; F365-V369 HydrophobicContact CZ-CG2 3.72Å; F365-V369 WeakPolarHBondContact O-CG2 3.37Å; F365-V369 PolarHBondContact O-N 2.95Å; F365-I387 HydrophobicContact CD2-CG2 4.06Å; F365-I387 HydrophobicContact CE2-CG2 3.88Å; F365-F391 HydrophobicContact CB-CB 4.48Å; F365-F391 HydrophobicContact CB-CD1 3.73Å; F365-F391 HydrophobicContact CB-CD2 4.29Å; F365-F391 HydrophobicContact CB-CE1 3.99Å; F365-F391 HydrophobicContact CB-CG 3.91Å; F365-F391 HydrophobicContact CB-CZ 4.39Å; F365-F391 HydrophobicContact CD2-CB 3.72Å; F365-F391 HydrophobicContact CD2-CD1 4.42Å; F365-F391 AromaticContact CD2-CD2 3.84Å; F365-F391 HydrophobicContact CD2-CD2 3.84Å; F365-F391 AromaticContact CD2-CG 3.74Å; F365-F391 HydrophobicContact CD2-CG 3.74Å; F365-F391 HydrophobicContact CE2-CB 4.43Å; F365-F391 HydrophobicContact CG-CB 4.46Å; F365-F391 HydrophobicContact CG-CG 4.29Å; F365-L392 HydrophobicContact CE2-CD1 4.16Å; F365-L392 HydrophobicContact CZ-CD1 4.46Å; F365-I400 HydrophobicContact CB-CD1 4.18Å; F365-I400 HydrophobicContact CB-CG2 3.99Å; F365-I400 HydrophobicContact CD1-CD1 3.5Å; F365-I400 VanDerWaalsContact CD1-CD1 3.5Å; F365-I400 HydrophobicContact CD2-CD1 3.76Å; F365-I400 HydrophobicContact CE1-CD1 3.68Å; F365-I400 HydrophobicContact CE2-CD1 3.94Å; F365-I400 HydrophobicContact CG-CD1 3.53Å; F365-I400 HydrophobicContact CG-CG2 4.45Å; F365-I400 HydrophobicContact CZ-CD1 3.9Å; F365-F422 HydrophobicContact CE2-CD1 4.17Å; F365-F422 HydrophobicContact CE2-CG 4.49Å; F365-F422 HydrophobicContact CZ-CB 4.18Å; F365-F422 HydrophobicContact CZ-CD1 4.27Å; F365-F422 HydrophobicContact CZ-CG 4.46Å; F365-A425 HydrophobicContact CE1-CB 4.11Å; F365-A425 HydrophobicContact CZ-CB 3.77Å; F365-I429 HydrophobicContact CD1-CB 4.23Å; F365-I429 HydrophobicContact CD1-CG1 3.9Å; F365-I429 HydrophobicContact CD1-CG2 4.24Å; F365-I429 HydrophobicContact CE1-CB 4.44Å; F365-I429 HydrophobicContact CE1-CG1 3.98Å
366W97.8Very high96.6Very high28 Ų2850.3 Ų50.311%0.10625%0.248CC..Hα-helixtrans-58.5-42.6-178.7-174.393.3000112.2L341 N362 L363 V369 Q370 Q426 Y430 M433L341-W366 HydrophobicContact CB-CH2 4.27Å; L341-W366 HydrophobicContact CB-CZ3 4.42Å; L341-W366 HydrophobicContact CD1-CE3 4.47Å; L341-W366 HydrophobicContact CD1-CH2 3.84Å; L341-W366 HydrophobicContact CD1-CZ2 3.93Å; L341-W366 HydrophobicContact CD1-CZ3 4.12Å; L341-W366 HydrophobicContact CD2-CE3 4.43Å; L341-W366 HydrophobicContact CD2-CZ3 4.21Å; N362-W366 WeakPolarHBondContact O-CB 2.96Å; N362-W366 PolarHBondContact O-N 3.48Å; L363-W366 PolarHBondContact O-N 2.88Å; W366-V369 PolarHBondContact O-N 3.47Å; W366-Q370 HydrophobicContact CD2-CG 4.04Å; W366-Q370 HydrophobicContact CE3-CG 3.77Å; W366-Q370 HydrophobicContact CH2-CG 3.55Å; W366-Q370 HydrophobicContact CZ2-CG 3.81Å; W366-Q370 VanDerWaalsContact CZ2-NE2 3.26Å; W366-Q370 HydrophobicContact CZ3-CG 3.54Å; W366-Q370 WeakPolarHBondContact O-CG 3.18Å; W366-Q370 PolarHBondContact O-N 2.87Å; W366-Q426 HydrophobicContact CG-CG 4.26Å; W366-Q426 PolarHBondContact O-NE2 3.29Å; W366-Y430 HydrophobicContact CZ2-CD2 4.32Å; W366-Y430 AromaticContact NE1-CD2 3.66Å; W366-M433 HydrophobicContact CB-CE 3.88Å; W366-M433 HydrophobicContact CG-CE 4.11Å
367L97.5Very high96.6Very high57 Ų5752.8 Ų52.830%0.29825%0.254SS..Hα-helixtrans-66.6-40.9176.5-69.6171.9000112.2L363 R364 F365 V369 Q370 D371L363-L367 HydrophobicContact CD1-CD1 4.21Å; L363-L367 HydrophobicContact CD1-CG 4.16Å; L363-L367 HydrophobicContact CG-CD1 3.95Å; L363-L367 HydrophobicContact CG-CG 4.35Å; L363-L367 WeakPolarHBondContact O-CB 3.38Å; L363-L367 VanDerWaalsContact O-CG 3.25Å; L363-L367 WeakPolarHBondContact O-CG 3.42Å; L363-L367 PolarHBondContact O-N 2.73Å; R364-L367 PolarHBondContact O-N 3.27Å; F365-L367 VanDerWaalsContact C-N 3.3Å; F365-L367 PolarHBondContact O-N 3.3Å; L367-V369 VanDerWaalsContact C-N 3.31Å; L367-V369 PolarHBondContact O-N 3.03Å; L367-Q370 WeakPolarHBondContact O-CB 3.47Å; L367-Q370 PolarHBondContact O-N 3.4Å; L367-D371 WeakPolarHBondContact O-CB 3.45Å; L367-D371 PolarHBondContact O-N 3.42Å
368S97.8Very high96.7Very high17 Ų1757.3 Ų57.312%0.11928%0.275CS..Hα-helixtrans-61.1-39174.9-73.60000112.1R364 F365 D371 L372 R383 I387R364-S368 WeakPolarHBondContact O-CB 3.43Å; R364-S368 PolarHBondContact O-N 2.68Å; R364-S368 PolarHBondContact O-OG 3.45Å; F365-S368 WeakPolarHBondContact O-CB 3.38Å; F365-S368 PolarHBondContact O-N 2.75Å; F365-S368 VanDerWaalsContact O-N 3.14Å; S368-D371 PolarHBondContact O-N 3.41Å; S368-L372 PolarHBondContact O-N 3.27Å; S368-R383 PolarHBondContact OG-NH2 3.12Å; S368-I387 WeakPolarHBondContact O-CD1 3.41Å
369V97.8Very high96.9Very high1 Ų151.3 Ų51.31%0.00625%0.252CS..Hα-helixtrans-70.3-36.3174.4179.40000111.8F365 W366 L367 D371 L372 K373 I387 F422 Q426F365-V369 HydrophobicContact CD2-CG2 4.19Å; F365-V369 HydrophobicContact CE1-CG2 4.15Å; F365-V369 HydrophobicContact CE2-CG2 3.74Å; F365-V369 HydrophobicContact CZ-CG2 3.72Å; F365-V369 WeakPolarHBondContact O-CG2 3.37Å; F365-V369 PolarHBondContact O-N 2.95Å; W366-V369 PolarHBondContact O-N 3.47Å; L367-V369 VanDerWaalsContact C-N 3.31Å; L367-V369 PolarHBondContact O-N 3.03Å; V369-D371 VanDerWaalsContact C-N 3.3Å; V369-D371 PolarHBondContact O-N 2.94Å; V369-L372 WeakPolarHBondContact O-CB 3.45Å; V369-L372 PolarHBondContact O-N 3.34Å; V369-K373 WeakPolarHBondContact O-CG 3.24Å; V369-K373 PolarHBondContact O-N 3.24Å; V369-I387 HydrophobicContact CG2-CG2 4.38Å; V369-F422 HydrophobicContact CB-CB 4.46Å; V369-F422 HydrophobicContact CG1-CB 3.88Å; V369-F422 HydrophobicContact CG2-CB 3.64Å; V369-F422 HydrophobicContact CG2-CD2 4.11Å; V369-F422 HydrophobicContact CG2-CG 3.99Å; V369-Q426 HydrophobicContact CB-CG 4.37Å; V369-Q426 HydrophobicContact CG1-CB 4.05Å; V369-Q426 VanDerWaalsContact CG1-CD 3.44Å; V369-Q426 HydrophobicContact CG1-CG 4.14Å
370Q96.8Very high97.1Very high53 Ų5350.8 Ų50.825%0.24825%0.248CC..Hα-helixtrans-63.3-37.8172.2-72.7-61.5-27.800112.3W366 L367W366-Q370 HydrophobicContact CD2-CG 4.04Å; W366-Q370 HydrophobicContact CE3-CG 3.77Å; W366-Q370 HydrophobicContact CH2-CG 3.55Å; W366-Q370 HydrophobicContact CZ2-CG 3.81Å; W366-Q370 VanDerWaalsContact CZ2-NE2 3.26Å; W366-Q370 HydrophobicContact CZ3-CG 3.54Å; W366-Q370 WeakPolarHBondContact O-CG 3.18Å; W366-Q370 PolarHBondContact O-N 2.87Å; L367-Q370 WeakPolarHBondContact O-CB 3.47Å; L367-Q370 PolarHBondContact O-N 3.4Å
371D96.9Very high97Very high61 Ų6153.2 Ų53.233%0.32627%0.269SS..Hα-helixtrans-66.9-45.7174.9177.870.1000111.5L367 S368 V369 K373 K374 Q375 R383L367-D371 WeakPolarHBondContact O-CB 3.45Å; L367-D371 PolarHBondContact O-N 3.42Å; S368-D371 PolarHBondContact O-N 3.41Å; V369-D371 VanDerWaalsContact C-N 3.3Å; V369-D371 PolarHBondContact O-N 2.94Å; D371-K373 PolarHBondContact O-N 3.37Å; D371-K374 WeakPolarHBondContact O-CA 3.39Å; D371-K374 WeakPolarHBondContact O-CB 3.45Å; D371-K374 PolarHBondContact O-N 3.4Å; D371-Q375 VanDerWaalsContact CG-NE2 3.33Å; D371-Q375 PolarHBondContact O-N 3.05Å; D371-Q375 VanDerWaalsContact O-N 3.16Å; D371-Q375 PolarHBondContact OD1-NE2 3.31Å; D371-Q375 PolarHBondContact OD2-NE2 3.3Å; D371-R383 IonicContact OD2-NE 3.94Å; D371-R383 PolarHBondContact OD2-NE 3.2Å; D371-R383 IonicContact OD2-NH2 2.71Å
372L97.8Very high97Very high0 Ų057.9 Ų57.90%029%0.288CS..Hα-helixtrans-50.3-44.4174.9173.967.7000112.3S368 V369 K374 Q375 V380 R383 V384 I387 F422S368-L372 PolarHBondContact O-N 3.27Å; V369-L372 WeakPolarHBondContact O-CB 3.45Å; V369-L372 PolarHBondContact O-N 3.34Å; L372-K374 PolarHBondContact O-N 3.15Å; L372-K374 VanDerWaalsContact O-N 3.13Å; L372-Q375 PolarHBondContact O-N 3.26Å; L372-V380 HydrophobicContact CD1-CB 4.49Å; L372-V380 HydrophobicContact CD1-CG1 4.11Å; L372-R383 HydrophobicContact CB-CG 4.23Å; L372-R383 HydrophobicContact CD1-CB 3.67Å; L372-R383 HydrophobicContact CD1-CG 3.68Å; L372-V384 HydrophobicContact CD1-CG2 3.9Å; L372-V384 HydrophobicContact CD2-CG2 3.83Å; L372-I387 HydrophobicContact CB-CD1 3.89Å; L372-I387 HydrophobicContact CD2-CD1 4.25Å; L372-F422 HydrophobicContact CD2-CD2 3.6Å; L372-F422 HydrophobicContact CD2-CE2 3.82Å
373K96.9Very high97Very high52 Ų5259.6 Ų59.623%0.22629%0.294CS..THydrogen-bonded Turntrans-61.4-22179.5-72.6176177.6-178.40112.9V369 D371 R419V369-K373 WeakPolarHBondContact O-CG 3.24Å; V369-K373 PolarHBondContact O-N 3.24Å; D371-K373 PolarHBondContact O-N 3.37Å; K373-R419 WeakPolarHBondContact CG-O 3.3Å; K373-R419 PolarHBondContact O-NH1 3.28Å
374K96.6Very high97Very high162 Ų16259.7 Ų59.770%0.70429%0.294SS*.THydrogen-bonded Turntrans-100.8-10.8-178.8-60.6172.5-172173.70113.9D371 L372D371-K374 WeakPolarHBondContact O-CA 3.39Å; D371-K374 WeakPolarHBondContact O-CB 3.45Å; D371-K374 PolarHBondContact O-N 3.4Å; L372-K374 PolarHBondContact O-N 3.15Å; L372-K374 VanDerWaalsContact O-N 3.13Å
375Q96.8Very high96.9Very high49 Ų4959.6 Ų59.623%0.22930%0.298CS..SBendtrans-63.1151.6-179-71.2-59.5-29.200112.7D371 L372 V380 R383 R419D371-Q375 VanDerWaalsContact CG-NE2 3.33Å; D371-Q375 PolarHBondContact O-N 3.05Å; D371-Q375 VanDerWaalsContact O-N 3.16Å; D371-Q375 PolarHBondContact OD1-NE2 3.31Å; D371-Q375 PolarHBondContact OD2-NE2 3.3Å; L372-Q375 PolarHBondContact O-N 3.26Å; Q375-V380 HydrophobicContact CB-CG2 4.38Å; Q375-R383 HydrophobicContact CG-CG 4.23Å; Q375-R419 PolarHBondContact O-NH1 3.1Å; Q375-R419 PolarHBondContact O-NH2 3.01Å
376P96.8Very high96.9Very high68 Ų6863 Ų6344%0.44231%0.314SS..  trans-58147166.9-2234.3000111.3Q378 D379 V380P376-Q378 HydrophobicContact CB-CG 4.2Å; P376-Q378 PolarHBondContact O-N 3.03Å; P376-Q378 VanDerWaalsContact O-N 3.12Å; P376-D379 PolarHBondContact O-N 2.98Å; P376-V380 PolarHBondContact O-N 3.28Å
377L96.1Very high96.9Very high134 Ų13461.7 Ų61.770%0.70231%0.309SS*.Hα-helixtrans-57.4-34.1-172.9-174.363.8000113.2D379 V380L377-D379 PolarHBondContact O-N 3.36Å; L377-V380 HydrophobicContact CD1-CG2 4.47Å; L377-V380 PolarHBondContact O-N 2.83Å
378Q95.9Very high96.8Very high162 Ų16260.4 Ų60.476%0.75730%0.3SS*.Hα-helixtrans-63.3-27.6177.969.9-171.918.200113.7P376P376-Q378 HydrophobicContact CB-CG 4.2Å; P376-Q378 PolarHBondContact O-N 3.03Å; P376-Q378 VanDerWaalsContact O-N 3.12Å
379D96.3Very high96.8Very high59 Ų5964.1 Ų64.132%0.31632%0.316SS..Hα-helixtrans-96.2-13.1-175.2-59.9-50.2000112.1P376 L377 A381 K382 R383P376-D379 PolarHBondContact O-N 2.98Å; L377-D379 PolarHBondContact O-N 3.36Å; D379-A381 PolarHBondContact O-N 3.47Å; D379-K382 PolarHBondContact O-N 2.66Å; D379-R383 WeakPolarHBondContact O-CB 3.37Å; D379-R383 PolarHBondContact O-N 3.13Å
380V96.9Very high96.8Very high3 Ų367.2 Ų67.22%0.01833%0.33CS..Hα-helixtrans-56.9-49.6-176.7169.20000111.4L372 Q375 P376 L377 K382 R383 V384 R419L372-V380 HydrophobicContact CD1-CB 4.49Å; L372-V380 HydrophobicContact CD1-CG1 4.11Å; Q375-V380 HydrophobicContact CB-CG2 4.38Å; P376-V380 PolarHBondContact O-N 3.28Å; L377-V380 HydrophobicContact CD1-CG2 4.47Å; L377-V380 PolarHBondContact O-N 2.83Å; V380-K382 VanDerWaalsContact C-N 3.34Å; V380-K382 PolarHBondContact O-N 2.97Å; V380-R383 PolarHBondContact O-N 2.96Å; V380-V384 HydrophobicContact CG1-CG2 4.33Å; V380-V384 WeakPolarHBondContact O-CG2 3.34Å; V380-V384 PolarHBondContact O-N 3.02Å; V380-R419 HydrophobicContact CG1-CG 4.39Å; V380-R419 HydrophobicContact CG2-CG 4.01Å
381A95.4Very high96.8Very high65 Ų6564.7 Ų64.754%0.53732%0.318SS..Hα-helixtrans-61.1-43.3-177.300000112D379 V384 E385D379-A381 PolarHBondContact O-N 3.47Å; A381-V384 PolarHBondContact O-N 3.31Å; A381-E385 PolarHBondContact O-N 2.54Å
382K95.9Very high96.8Very high141 Ų14162.3 Ų62.361%0.61331%0.306SS*.Hα-helixtrans-63.5-45.5176-172.8-169.8177.6-147.10111.1D379 V380 V384 E385 E386D379-K382 PolarHBondContact O-N 2.66Å; V380-K382 VanDerWaalsContact C-N 3.34Å; V380-K382 PolarHBondContact O-N 2.97Å; K382-V384 VanDerWaalsContact C-N 3.31Å; K382-V384 PolarHBondContact O-N 3.31Å; K382-E385 PolarHBondContact O-N 3.23Å; K382-E386 WeakPolarHBondContact CE-OE1 3Å; K382-E386 IonicContact NZ-OE1 3.41Å; K382-E386 PolarHBondContact NZ-OE1 3.49Å; K382-E386 WeakPolarHBondContact O-CG 3.31Å; K382-E386 PolarHBondContact O-N 2.93Å
383R97.5Very high96.6Very high47 Ų4762.7 Ų62.718%0.17731%0.309CS..Hα-helixtrans-65.7-34.3-179.3-171.963.9175.6143.79.2112.3S368 D371 L372 Q375 D379 V380 E386 I387S368-R383 PolarHBondContact OG-NH2 3.12Å; D371-R383 IonicContact OD2-NE 3.94Å; D371-R383 PolarHBondContact OD2-NE 3.2Å; D371-R383 IonicContact OD2-NH2 2.71Å; L372-R383 HydrophobicContact CB-CG 4.23Å; L372-R383 HydrophobicContact CD1-CB 3.67Å; L372-R383 HydrophobicContact CD1-CG 3.68Å; Q375-R383 HydrophobicContact CG-CG 4.23Å; D379-R383 WeakPolarHBondContact O-CB 3.37Å; D379-R383 PolarHBondContact O-N 3.13Å; V380-R383 PolarHBondContact O-N 2.96Å; R383-E386 WeakPolarHBondContact CD-OE2 3.45Å; R383-E386 IonicContact NH1-OE2 3.24Å; R383-E386 PolarHBondContact NH1-OE2 3.48Å; R383-E386 VanDerWaalsContact NH1-OE2 3.12Å; R383-E386 PolarHBondContact O-N 2.7Å; R383-I387 HydrophobicContact CG-CD1 4.04Å; R383-I387 VanDerWaalsContact O-CG1 3.26Å; R383-I387 WeakPolarHBondContact O-CG1 3.43Å; R383-I387 PolarHBondContact O-N 2.71Å
384V97.6Very high96.4Very high2 Ų265.9 Ų65.91%0.01234%0.335CS..Hα-helixtrans-59.5-48.5172.8167.30000110.7L372 V380 A381 K382 E386 I387 W388 V414 T421 F422L372-V384 HydrophobicContact CD1-CG2 3.9Å; L372-V384 HydrophobicContact CD2-CG2 3.83Å; V380-V384 HydrophobicContact CG1-CG2 4.33Å; V380-V384 WeakPolarHBondContact O-CG2 3.34Å; V380-V384 PolarHBondContact O-N 3.02Å; A381-V384 PolarHBondContact O-N 3.31Å; K382-V384 VanDerWaalsContact C-N 3.31Å; K382-V384 PolarHBondContact O-N 3.31Å; V384-E386 PolarHBondContact O-N 3.28Å; V384-I387 PolarHBondContact O-N 3.36Å; V384-W388 WeakPolarHBondContact O-CB 3.05Å; V384-W388 PolarHBondContact O-N 3.25Å; V384-V414 HydrophobicContact CG1-CB 4.46Å; V384-V414 HydrophobicContact CG1-CG1 4.14Å; V384-V414 HydrophobicContact CG1-CG2 4.13Å; V384-T421 HydrophobicContact CG1-CG2 3.96Å; V384-F422 HydrophobicContact CB-CE2 4.25Å; V384-F422 HydrophobicContact CG1-CE2 4.03Å; V384-F422 HydrophobicContact CG1-CZ 3.99Å; V384-F422 HydrophobicContact CG2-CE2 4.14Å; V384-F422 WeakPolarHBondContact O-CZ 3.39Å
385E96.1Very high96.2Very high90 Ų9062.1 Ų62.142%0.42134%0.342SS..Hα-helixtrans-62.3-44.5178.9-171.861.1-14500111.6A381 K382 I387 W388 Q389A381-E385 PolarHBondContact O-N 2.54Å; K382-E385 PolarHBondContact O-N 3.23Å; E385-I387 PolarHBondContact O-N 2.96Å; E385-W388 PolarHBondContact O-N 3.4Å; E385-Q389 HydrophobicContact CG-CG 4.4Å; E385-Q389 VanDerWaalsContact O-CG 3.3Å; E385-Q389 WeakPolarHBondContact O-CG 3.23Å; E385-Q389 PolarHBondContact O-N 3.24Å; E385-Q389 WeakPolarHBondContact OE1-CG 3.24Å; E385-Q389 PolarHBondContact OE1-NE2 3.02Å
386E97.1Very high96.1Very high73 Ų7360.4 Ų60.434%0.34134%0.336SS..Hα-helixtrans-57.3-47177.1-71171.7-177.500112K382 R383 V384 Q389 E390K382-E386 WeakPolarHBondContact CE-OE1 3Å; K382-E386 IonicContact NZ-OE1 3.41Å; K382-E386 PolarHBondContact NZ-OE1 3.49Å; K382-E386 WeakPolarHBondContact O-CG 3.31Å; K382-E386 PolarHBondContact O-N 2.93Å; R383-E386 WeakPolarHBondContact CD-OE2 3.45Å; R383-E386 IonicContact NH1-OE2 3.24Å; R383-E386 PolarHBondContact NH1-OE2 3.48Å; R383-E386 VanDerWaalsContact NH1-OE2 3.12Å; R383-E386 PolarHBondContact O-N 2.7Å; V384-E386 PolarHBondContact O-N 3.28Å; E386-Q389 PolarHBondContact O-N 2.86Å; E386-E390 WeakPolarHBondContact O-CB 3.44Å; E386-E390 PolarHBondContact O-N 2.92Å
387I97.9Very high96Very high0 Ų062.4 Ų62.40%035%0.349CS..Hα-helixtrans-65.7-41.2179.1-67.1171000110.9F365 S368 V369 L372 R383 V384 E385 E390 F391 F422F365-I387 HydrophobicContact CD2-CG2 4.06Å; F365-I387 HydrophobicContact CE2-CG2 3.88Å; S368-I387 WeakPolarHBondContact O-CD1 3.41Å; V369-I387 HydrophobicContact CG2-CG2 4.38Å; L372-I387 HydrophobicContact CB-CD1 3.89Å; L372-I387 HydrophobicContact CD2-CD1 4.25Å; R383-I387 HydrophobicContact CG-CD1 4.04Å; R383-I387 VanDerWaalsContact O-CG1 3.26Å; R383-I387 WeakPolarHBondContact O-CG1 3.43Å; R383-I387 PolarHBondContact O-N 2.71Å; V384-I387 PolarHBondContact O-N 3.36Å; E385-I387 PolarHBondContact O-N 2.96Å; I387-E390 PolarHBondContact O-N 2.88Å; I387-F391 HydrophobicContact CG2-CD2 4.07Å; I387-F391 WeakPolarHBondContact O-CD2 3.39Å; I387-F391 PolarHBondContact O-N 3.35Å; I387-F391 VanDerWaalsContact O-N 3.12Å; I387-F422 HydrophobicContact CB-CE2 3.89Å; I387-F422 HydrophobicContact CB-CZ 3.89Å; I387-F422 HydrophobicContact CD1-CE2 4.28Å; I387-F422 HydrophobicContact CG2-CD1 4.41Å; I387-F422 HydrophobicContact CG2-CD2 4.17Å; I387-F422 HydrophobicContact CG2-CE1 4.03Å; I387-F422 HydrophobicContact CG2-CE2 3.74Å; I387-F422 HydrophobicContact CG2-CG 4.49Å; I387-F422 HydrophobicContact CG2-CZ 3.67Å
388W96.9Very high95.9Very high29 Ų2957.4 Ų57.411%0.1133%0.325CS..Hα-helixtrans-59.7-49.9176.4176-100.7000111.1V384 E385 E390 L392 A393 Y407 T410 V414 F422V384-W388 WeakPolarHBondContact O-CB 3.05Å; V384-W388 PolarHBondContact O-N 3.25Å; E385-W388 PolarHBondContact O-N 3.4Å; W388-E390 VanDerWaalsContact C-N 3.34Å; W388-E390 PolarHBondContact O-N 3.49Å; W388-L392 HydrophobicContact CD2-CB 4.13Å; W388-L392 HydrophobicContact CE3-CB 3.57Å; W388-L392 HydrophobicContact CE3-CD1 3.94Å; W388-L392 HydrophobicContact CE3-CG 4.41Å; W388-L392 HydrophobicContact CH2-CB 4.38Å; W388-L392 HydrophobicContact CZ3-CB 3.73Å; W388-L392 HydrophobicContact CZ3-CD1 4.05Å; W388-L392 CarbonylContact O-C 3.53Å; W388-L392 PolarHBondContact O-N 3.45Å; W388-A393 PolarHBondContact O-N 2.92Å; W388-Y407 HydrophobicContact CH2-CE2 4.07Å; W388-Y407 AromaticContact CH2-CZ 3.93Å; W388-T410 HydrophobicContact CE3-CG2 4.46Å; W388-T410 HydrophobicContact CZ3-CG2 4.19Å; W388-V414 HydrophobicContact CB-CG1 4.47Å; W388-V414 HydrophobicContact CD2-CG1 4.39Å; W388-V414 HydrophobicContact CD2-CG2 4.24Å; W388-V414 HydrophobicContact CE3-CG2 3.74Å; W388-V414 HydrophobicContact CG-CG1 4.29Å; W388-V414 HydrophobicContact CZ3-CG2 4.31Å; W388-F422 HydrophobicContact CB-CZ 4.38Å; W388-F422 HydrophobicContact CE3-CE1 4.42Å
389Q97.2Very high95.8Very high96 Ų9652.7 Ų52.745%0.44931%0.314SS..Hα-helixtrans-64.9-34.7-179.4-66.1-60.8-28.300113.2E385 E386 P397E385-Q389 HydrophobicContact CG-CG 4.4Å; E385-Q389 VanDerWaalsContact O-CG 3.3Å; E385-Q389 WeakPolarHBondContact O-CG 3.23Å; E385-Q389 PolarHBondContact O-N 3.24Å; E385-Q389 WeakPolarHBondContact OE1-CG 3.24Å; E385-Q389 PolarHBondContact OE1-NE2 3.02Å; E386-Q389 PolarHBondContact O-N 2.86Å; Q389-P397 WeakPolarHBondContact O-CD 3.49Å
390E97.8Very high95.8Very high65 Ų6550.7 Ų50.730%0.30430%0.303SS..Hα-helixtrans-75.8-37.9-177.9-173.3177.717600113.4E386 I387 W388 A396 P397 S398E386-E390 WeakPolarHBondContact O-CB 3.44Å; E386-E390 PolarHBondContact O-N 2.92Å; I387-E390 PolarHBondContact O-N 2.88Å; W388-E390 VanDerWaalsContact C-N 3.34Å; W388-E390 PolarHBondContact O-N 3.49Å; E390-A396 WeakPolarHBondContact O-CB 3.33Å; E390-P397 WeakPolarHBondContact O-CD 3.42Å; E390-S398 CarbonylContact O-C 3.59Å; E390-S398 PolarHBondContact O-N 2.57Å
391F97.5Very high95.4Very high1 Ų156.6 Ų56.60%0.00434%0.335CS..Hα-helixtrans-119.6-24.3-167.3-61.2-76.5000115.7R364 F365 I387 S398 A399 I400R364-F391 HydrophobicContact CB-CE1 3.95Å; R364-F391 HydrophobicContact CB-CZ 3.96Å; F365-F391 HydrophobicContact CB-CB 4.48Å; F365-F391 HydrophobicContact CB-CD1 3.73Å; F365-F391 HydrophobicContact CB-CD2 4.29Å; F365-F391 HydrophobicContact CB-CE1 3.99Å; F365-F391 HydrophobicContact CB-CG 3.91Å; F365-F391 HydrophobicContact CB-CZ 4.39Å; F365-F391 HydrophobicContact CD2-CB 3.72Å; F365-F391 HydrophobicContact CD2-CD1 4.42Å; F365-F391 AromaticContact CD2-CD2 3.84Å; F365-F391 HydrophobicContact CD2-CD2 3.84Å; F365-F391 AromaticContact CD2-CG 3.74Å; F365-F391 HydrophobicContact CD2-CG 3.74Å; F365-F391 HydrophobicContact CE2-CB 4.43Å; F365-F391 HydrophobicContact CG-CB 4.46Å; F365-F391 HydrophobicContact CG-CG 4.29Å; I387-F391 HydrophobicContact CG2-CD2 4.07Å; I387-F391 WeakPolarHBondContact O-CD2 3.39Å; I387-F391 PolarHBondContact O-N 3.35Å; I387-F391 VanDerWaalsContact O-N 3.12Å; F391-S398 VanDerWaalsContact CD1-O 3.3Å; F391-S398 WeakPolarHBondContact CD1-O 3.48Å; F391-A399 WeakPolarHBondContact O-CA 3.28Å; F391-I400 HydrophobicContact CB-CD1 4.49Å; F391-I400 HydrophobicContact CB-CG1 4.47Å; F391-I400 HydrophobicContact CB-CG2 4.31Å; F391-I400 HydrophobicContact CD1-CG2 3.99Å; F391-I400 PolarHBondContact O-N 2.87Å
392L96Very high95.2Very high11 Ų1154.5 Ų54.56%0.05832%0.315CS..THydrogen-bonded Turntrans-128.3-23.9-167.4-69.3175.6000115F365 W388 I400 L402 Y407 T410 F422F365-L392 HydrophobicContact CE2-CD1 4.16Å; F365-L392 HydrophobicContact CZ-CD1 4.46Å; W388-L392 HydrophobicContact CD2-CB 4.13Å; W388-L392 HydrophobicContact CE3-CB 3.57Å; W388-L392 HydrophobicContact CE3-CD1 3.94Å; W388-L392 HydrophobicContact CE3-CG 4.41Å; W388-L392 HydrophobicContact CH2-CB 4.38Å; W388-L392 HydrophobicContact CZ3-CB 3.73Å; W388-L392 HydrophobicContact CZ3-CD1 4.05Å; W388-L392 CarbonylContact O-C 3.53Å; W388-L392 PolarHBondContact O-N 3.45Å; L392-I400 HydrophobicContact CD2-CD1 3.79Å; L392-I400 HydrophobicContact CD2-CG1 3.58Å; L392-I400 HydrophobicContact CG-CD1 4.36Å; L392-I400 HydrophobicContact CG-CG1 4.41Å; L392-L402 HydrophobicContact CD1-CD1 4.34Å; L392-L402 HydrophobicContact CD2-CD1 3.39Å; L392-L402 HydrophobicContact CD2-CG 4.13Å; L392-Y407 HydrophobicContact CD2-CD2 4.35Å; L392-Y407 WeakPolarHBondContact O-CE2 3.44Å; L392-Y407 PolarHBondContact O-OH 3.11Å; L392-T410 HydrophobicContact CD1-CG2 3.83Å; L392-F422 HydrophobicContact CD1-CD1 3.98Å; L392-F422 HydrophobicContact CD1-CE1 3.92Å
393A94.2Very high95Very high8 Ų850.9 Ų50.97%0.06630%0.302CS..SBendtrans-59.9151178.200000111.6W388 G395 A396W388-A393 PolarHBondContact O-N 2.92Å; A393-G395 PolarHBondContact O-N 3.25Å; A393-G395 VanDerWaalsContact O-N 3.11Å; A393-A396 WeakPolarHBondContact O-CB 3.38Å; A393-A396 PolarHBondContact O-N 3.22Å
394P92.3Very high94.7Very high118 Ų11852.9 Ų52.977%0.76632%0.323SS*.THydrogen-bonded Turntrans-56.6119.4173.7-24.534.3000111.2
395G92Very high94.4Very high84 Ų8458.5 Ų58.587%0.86635%0.349SS*.THydrogen-bonded Turntrans79.618.8-175.400000114.6A393A393-G395 PolarHBondContact O-N 3.25Å; A393-G395 VanDerWaalsContact O-N 3.11Å
396A94.8Very high94.2Very high13 Ų1354.7 Ų54.711%0.10733%0.332CS..  trans-52.4138.2176.200000112.1E390 A393 S398 A399E390-A396 WeakPolarHBondContact O-CB 3.33Å; A393-A396 WeakPolarHBondContact O-CB 3.38Å; A393-A396 PolarHBondContact O-N 3.22Å; A396-S398 PolarHBondContact O-N 3.16Å; A396-A399 HydrophobicContact CB-CB 4.17Å; A396-A399 PolarHBondContact O-N 3.03Å
397P94Very high94Very high109 Ų10955 Ų5571%0.70833%0.331SS*.THydrogen-bonded Turntrans-66.1-24.4-176.427.4-35.6000113.4Q389 E390Q389-P397 WeakPolarHBondContact O-CD 3.49Å; E390-P397 WeakPolarHBondContact O-CD 3.42Å
398S94.9Very high93.8Very high29 Ų2960.9 Ų60.920%0.20336%0.358CS..THydrogen-bonded Turntrans-129.250.4176.2-67.10000110.3E390 F391 A396 I400E390-S398 CarbonylContact O-C 3.59Å; E390-S398 PolarHBondContact O-N 2.57Å; F391-S398 VanDerWaalsContact CD1-O 3.3Å; F391-S398 WeakPolarHBondContact CD1-O 3.48Å; A396-S398 PolarHBondContact O-N 3.16Å; S398-I400 PolarHBondContact O-N 3.28Å
399A94Very high93.6Very high63 Ų6361.6 Ų61.652%0.52136%0.364SS..  trans-55.4122-17700000112.3F391 A396F391-A399 WeakPolarHBondContact O-CA 3.28Å; A396-A399 HydrophobicContact CB-CB 4.17Å; A396-A399 PolarHBondContact O-N 3.03Å
400I95.2Very high93.4Very high18 Ų1857 Ų579%0.09234%0.343CS..  trans-91.1152.9175.963.9177.5000111.1E361 F365 F391 L392 S398 L402 I429E361-I400 HydrophobicContact CB-CG2 4.09Å; E361-I400 HydrophobicContact CG-CG2 3.87Å; F365-I400 HydrophobicContact CB-CD1 4.18Å; F365-I400 HydrophobicContact CB-CG2 3.99Å; F365-I400 HydrophobicContact CD1-CD1 3.5Å; F365-I400 VanDerWaalsContact CD1-CD1 3.5Å; F365-I400 HydrophobicContact CD2-CD1 3.76Å; F365-I400 HydrophobicContact CE1-CD1 3.68Å; F365-I400 HydrophobicContact CE2-CD1 3.94Å; F365-I400 HydrophobicContact CG-CD1 3.53Å; F365-I400 HydrophobicContact CG-CG2 4.45Å; F365-I400 HydrophobicContact CZ-CD1 3.9Å; F391-I400 HydrophobicContact CB-CD1 4.49Å; F391-I400 HydrophobicContact CB-CG1 4.47Å; F391-I400 HydrophobicContact CB-CG2 4.31Å; F391-I400 HydrophobicContact CD1-CG2 3.99Å; F391-I400 PolarHBondContact O-N 2.87Å; L392-I400 HydrophobicContact CD2-CD1 3.79Å; L392-I400 HydrophobicContact CD2-CG1 3.58Å; L392-I400 HydrophobicContact CG-CD1 4.36Å; L392-I400 HydrophobicContact CG-CG1 4.41Å; S398-I400 PolarHBondContact O-N 3.28Å; I400-L402 HydrophobicContact CD1-CD1 4.22Å; I400-L402 HydrophobicContact CD1-CD2 4.28Å; I400-L402 HydrophobicContact CD1-CG 4.04Å; I400-L402 HydrophobicContact CG1-CG 4.13Å; I400-I429 HydrophobicContact CB-CD1 4.27Å; I400-I429 HydrophobicContact CD1-CD1 3.99Å; I400-I429 HydrophobicContact CD1-CG1 3.96Å; I400-I429 HydrophobicContact CG1-CD1 4.48Å
401N89.3Confident93.2Very high127 Ų12756.1 Ų56.168%0.67934%0.343SS*.  trans-86.8113.9174.3-169.515.6000110.2
402L91.7Very high92.9Very high21 Ų2162.5 Ų62.511%0.1137%0.373CS..  trans-120.3149.6173.7-73-176.7000110.5L392 I400 A425 H428 I429L392-L402 HydrophobicContact CD1-CD1 4.34Å; L392-L402 HydrophobicContact CD2-CD1 3.39Å; L392-L402 HydrophobicContact CD2-CG 4.13Å; I400-L402 HydrophobicContact CD1-CD1 4.22Å; I400-L402 HydrophobicContact CD1-CD2 4.28Å; I400-L402 HydrophobicContact CD1-CG 4.04Å; I400-L402 HydrophobicContact CG1-CG 4.13Å; L402-A425 HydrophobicContact CD1-CB 3.62Å; L402-A425 HydrophobicContact CD2-CB 4.21Å; L402-H428 HydrophobicContact CD2-CB 4.14Å; L402-I429 HydrophobicContact CD2-CD1 3.72Å; L402-I429 HydrophobicContact CD2-CG1 3.68Å
403D90.9Very high92.8Very high64 Ų6464.7 Ų64.734%0.34239%0.385SS..  trans-64.8156166.665.948.2000111.8H405 S406 Y407 H428D403-H405 PolarHBondContact O-N 2.82Å; D403-H405 PolarHBondContact OD1-N 3.47Å; D403-S406 PolarHBondContact O-N 2.8Å; D403-S406 WeakPolarHBondContact OD1-CB 3.39Å; D403-S406 PolarHBondContact OD1-N 3.03Å; D403-S406 PolarHBondContact OD1-OG 3.31Å; D403-S406 PolarHBondContact OD2-OG 3.11Å; D403-Y407 WeakPolarHBondContact O-CB 3.48Å; D403-Y407 PolarHBondContact O-N 2.94Å; D403-Y407 VanDerWaalsContact O-N 3.08Å; D403-H428 IonicContact OD2-CE1 2.66Å; D403-H428 PolarHBondContact OD2-CE1 3.23Å; D403-H428 IonicContact OD2-CG 2.76Å; D403-H428 IonicContact OD2-ND1 3.62Å; D403-H428 PolarHBondContact OD2-ND1 3.23Å
404S90.9Very high92.7Very high89 Ų8965.4 Ų65.462%0.62239%0.388SS*.Hα-helixtrans-59.6-36-175.457.40000112.4Y407 E408S404-Y407 PolarHBondContact O-N 3.14Å; S404-E408 WeakPolarHBondContact O-CB 3.3Å; S404-E408 VanDerWaalsContact O-CG 3.27Å; S404-E408 WeakPolarHBondContact O-CG 3.5Å; S404-E408 PolarHBondContact O-N 3.39Å
405H91.2Very high92.6Very high121 Ų12168.2 Ų68.256%0.5639%0.388SS*.Hα-helixtrans-66-49.9-178.2-176.759.6000112.1D403 Y407 E408 I409D403-H405 PolarHBondContact O-N 2.82Å; D403-H405 PolarHBondContact OD1-N 3.47Å; H405-Y407 VanDerWaalsContact C-N 3.3Å; H405-Y407 PolarHBondContact O-N 3.4Å; H405-E408 PolarHBondContact O-N 3.18Å; H405-I409 WeakPolarHBondContact NE2-CD1 3.27Å; H405-I409 WeakPolarHBondContact O-CG1 3.4Å; H405-I409 PolarHBondContact O-N 2.58Å
406S92.1Very high92.4Very high10 Ų1071.3 Ų71.37%0.0739%0.385CS..Hα-helixtrans-64.9-37.4178.9-54.10000111.1D403 T410D403-S406 PolarHBondContact O-N 2.8Å; D403-S406 WeakPolarHBondContact OD1-CB 3.39Å; D403-S406 PolarHBondContact OD1-N 3.03Å; D403-S406 PolarHBondContact OD1-OG 3.31Å; D403-S406 PolarHBondContact OD2-OG 3.11Å; S406-T410 VanDerWaalsContact O-CB 3.26Å; S406-T410 WeakPolarHBondContact O-CB 3.4Å; S406-T410 PolarHBondContact O-N 2.96Å; S406-T410 PolarHBondContact O-OG1 3.02Å
407Y93.6Very high92Very high78 Ų7872 Ų7231%0.30639%0.393SS..Hα-helixtrans-64.3-45.8175.4-175.4-91000112.1W388 L392 D403 S404 H405 T410 S411W388-Y407 HydrophobicContact CH2-CE2 4.07Å; W388-Y407 AromaticContact CH2-CZ 3.93Å; L392-Y407 HydrophobicContact CD2-CD2 4.35Å; L392-Y407 WeakPolarHBondContact O-CE2 3.44Å; L392-Y407 PolarHBondContact O-OH 3.11Å; D403-Y407 WeakPolarHBondContact O-CB 3.48Å; D403-Y407 PolarHBondContact O-N 2.94Å; D403-Y407 VanDerWaalsContact O-N 3.08Å; S404-Y407 PolarHBondContact O-N 3.14Å; H405-Y407 VanDerWaalsContact C-N 3.3Å; H405-Y407 PolarHBondContact O-N 3.4Å; Y407-T410 PolarHBondContact O-N 3Å; Y407-S411 VanDerWaalsContact O-CB 3.24Å; Y407-S411 WeakPolarHBondContact O-CB 3.29Å; Y407-S411 PolarHBondContact O-N 3.26Å
408E92.9Very high91.9Very high124 Ų12468 Ų6858%0.57937%0.372SS*.Hα-helixtrans-61.8-47.9178.4-77.8171.4-164.100112.2S404 H405 T410 S411 Q412S404-E408 WeakPolarHBondContact O-CB 3.3Å; S404-E408 VanDerWaalsContact O-CG 3.27Å; S404-E408 WeakPolarHBondContact O-CG 3.5Å; S404-E408 PolarHBondContact O-N 3.39Å; H405-E408 PolarHBondContact O-N 3.18Å; E408-T410 PolarHBondContact O-N 3.33Å; E408-S411 PolarHBondContact O-N 2.84Å; E408-Q412 PolarHBondContact O-N 2.81Å
409I92.5Very high92Very high45 Ų4569.9 Ų69.923%0.23138%0.375CS..Hα-helixtrans-59.5-49177.1-69.4170.4000110.3H405 S411 Q412 N413 D424H405-I409 WeakPolarHBondContact NE2-CD1 3.27Å; H405-I409 WeakPolarHBondContact O-CG1 3.4Å; H405-I409 PolarHBondContact O-N 2.58Å; I409-S411 VanDerWaalsContact C-N 3.35Å; I409-S411 PolarHBondContact O-N 3.08Å; I409-Q412 PolarHBondContact O-N 2.95Å; I409-N413 WeakPolarHBondContact CG2-ND2 3.48Å; I409-N413 WeakPolarHBondContact O-CB 3.36Å; I409-N413 PolarHBondContact O-N 2.97Å; I409-N413 PolarHBondContact O-OD1 3Å; I409-D424 HydrophobicContact CG2-CB 4.45Å; I409-D424 WeakPolarHBondContact CG2-OD2 3.46Å
410T93.6Very high92.1Very high0 Ų073.9 Ų73.90%038%0.378CS..Hα-helixtrans-61.9-43.7-179.1-570000111.2W388 L392 S406 Y407 E408 Q412 N413 V414 F422W388-T410 HydrophobicContact CE3-CG2 4.46Å; W388-T410 HydrophobicContact CZ3-CG2 4.19Å; L392-T410 HydrophobicContact CD1-CG2 3.83Å; S406-T410 VanDerWaalsContact O-CB 3.26Å; S406-T410 WeakPolarHBondContact O-CB 3.4Å; S406-T410 PolarHBondContact O-N 2.96Å; S406-T410 PolarHBondContact O-OG1 3.02Å; Y407-T410 PolarHBondContact O-N 3Å; E408-T410 PolarHBondContact O-N 3.33Å; T410-Q412 VanDerWaalsContact C-N 3.26Å; T410-Q412 PolarHBondContact O-N 2.95Å; T410-N413 PolarHBondContact O-N 3.39Å; T410-N413 VanDerWaalsContact O-N 3.14Å; T410-V414 HydrophobicContact CG2-CG2 4.31Å; T410-V414 VanDerWaalsContact O-CG2 3.26Å; T410-V414 WeakPolarHBondContact O-CG2 3.41Å; T410-V414 PolarHBondContact O-N 2.69Å; T410-F422 HydrophobicContact CG2-CD1 3.44Å; T410-F422 VanDerWaalsContact CG2-CD1 3.44Å; T410-F422 HydrophobicContact CG2-CE1 3.79Å; T410-F422 HydrophobicContact CG2-CG 4.48Å
411S92.9Very high92.2Very high45 Ų4573.3 Ų73.332%0.31538%0.375SS..Hα-helixtrans-59.3-36.6176.8-178.30000112.5Y407 E408 I409Y407-S411 VanDerWaalsContact O-CB 3.24Å; Y407-S411 WeakPolarHBondContact O-CB 3.29Å; Y407-S411 PolarHBondContact O-N 3.26Å; E408-S411 PolarHBondContact O-N 2.84Å; I409-S411 VanDerWaalsContact C-N 3.35Å; I409-S411 PolarHBondContact O-N 3.08Å
412Q92.9Very high92.5Very high135 Ų13567.3 Ų67.363%0.63134%0.343SS*.Hα-helixtrans-72.2-43.3173.9-172.8166.5-2.400112E408 I409 T410 V414 K415E408-Q412 PolarHBondContact O-N 2.81Å; I409-Q412 PolarHBondContact O-N 2.95Å; T410-Q412 VanDerWaalsContact C-N 3.26Å; T410-Q412 PolarHBondContact O-N 2.95Å; Q412-V414 VanDerWaalsContact C-N 3.3Å; Q412-V414 PolarHBondContact O-N 2.9Å; Q412-K415 WeakPolarHBondContact O-CB 3.28Å; Q412-K415 PolarHBondContact O-N 3.21Å
413N92.4Very high92.7Very high58 Ų5870.8 Ų70.831%0.3136%0.358SS..Hα-helixtrans-65.7-30-179.4-68.9-13.7000113.2I409 T410 K415 D416 T421I409-N413 WeakPolarHBondContact CG2-ND2 3.48Å; I409-N413 WeakPolarHBondContact O-CB 3.36Å; I409-N413 PolarHBondContact O-N 2.97Å; I409-N413 PolarHBondContact O-OD1 3Å; T410-N413 PolarHBondContact O-N 3.39Å; T410-N413 VanDerWaalsContact O-N 3.14Å; N413-K415 PolarHBondContact O-N 2.96Å; N413-D416 CarbonylContact O-C 3.39Å; N413-D416 VanDerWaalsContact O-C 3.29Å; N413-D416 PolarHBondContact O-N 3.46Å; N413-T421 HydrophobicContact CB-CG2 3.95Å; N413-T421 PolarHBondContact ND2-O 2.93Å
414V92.9Very high92.9Very high23 Ų2370.6 Ų70.614%0.13936%0.358CS..Hα-helixtrans-65.1-25.9178.2168.30000111.9V384 W388 T410 Q412 D416 G417 T421 F422V384-V414 HydrophobicContact CG1-CB 4.46Å; V384-V414 HydrophobicContact CG1-CG1 4.14Å; V384-V414 HydrophobicContact CG1-CG2 4.13Å; W388-V414 HydrophobicContact CB-CG1 4.47Å; W388-V414 HydrophobicContact CD2-CG1 4.39Å; W388-V414 HydrophobicContact CD2-CG2 4.24Å; W388-V414 HydrophobicContact CE3-CG2 3.74Å; W388-V414 HydrophobicContact CG-CG1 4.29Å; W388-V414 HydrophobicContact CZ3-CG2 4.31Å; T410-V414 HydrophobicContact CG2-CG2 4.31Å; T410-V414 VanDerWaalsContact O-CG2 3.26Å; T410-V414 WeakPolarHBondContact O-CG2 3.41Å; T410-V414 PolarHBondContact O-N 2.69Å; Q412-V414 VanDerWaalsContact C-N 3.3Å; Q412-V414 PolarHBondContact O-N 2.9Å; V414-D416 PolarHBondContact O-N 3.45Å; V414-G417 PolarHBondContact O-N 2.92Å; V414-T421 HydrophobicContact CB-CG2 4.21Å; V414-T421 HydrophobicContact CG2-CG2 3.42Å; V414-T421 VanDerWaalsContact CG2-CG2 3.42Å; V414-F422 HydrophobicContact CG2-CE1 4.03Å; V414-F422 HydrophobicContact CG2-CZ 4.16Å
415K90.3Very high93.1Very high176 Ų17666.4 Ų66.477%0.76533%0.328SS*.THydrogen-bonded Turntrans-63-29.7178-61.8178.5-177.4174.80113.1Q412 N413Q412-K415 WeakPolarHBondContact O-CB 3.28Å; Q412-K415 PolarHBondContact O-N 3.21Å; N413-K415 PolarHBondContact O-N 2.96Å
416D87.9Confident93.4Very high149 Ų14961.1 Ų61.180%0.79730%0.304SS*.THydrogen-bonded Turntrans-127.268.2173.3-170.919.6000108.7N413 V414 G418N413-D416 CarbonylContact O-C 3.39Å; N413-D416 VanDerWaalsContact O-C 3.29Å; N413-D416 PolarHBondContact O-N 3.46Å; V414-D416 PolarHBondContact O-N 3.45Å; D416-G418 PolarHBondContact O-N 2.69Å
417G86.1Confident93.6Very high27 Ų2765.3 Ų65.328%0.27832%0.322SS..  trans-61.2125.5-169.300000114V414 T421V414-G417 PolarHBondContact O-N 2.92Å; G417-T421 WeakPolarHBondContact CA-OG1 3.48Å
418G92.6Very high93.7Very high26 Ų2664 Ų6427%0.26832%0.319SS..  trans-136.7-177.3175.800000112.4D416 Y420 T421D416-G418 PolarHBondContact O-N 2.69Å; G418-Y420 PolarHBondContact O-N 2.87Å; G418-Y420 VanDerWaalsContact O-N 3.09Å; G418-T421 PolarHBondContact N-OG1 3.46Å; G418-T421 WeakPolarHBondContact O-CB 3.46Å; G418-T421 PolarHBondContact O-N 3.06Å; G418-T421 PolarHBondContact O-OG1 3.26Å; G418-T421 VanDerWaalsContact O-OG1 3.09Å
419R96.1Very high93.8Very high68 Ų6858.1 Ų58.126%0.25729%0.291SS..THydrogen-bonded Turntrans-61.5-21.7-178.1-66.9179.4-174.8-85.4-12.6114K373 Q375 V380K373-R419 WeakPolarHBondContact CG-O 3.3Å; K373-R419 PolarHBondContact O-NH1 3.28Å; Q375-R419 PolarHBondContact O-NH1 3.1Å; Q375-R419 PolarHBondContact O-NH2 3.01Å; V380-R419 HydrophobicContact CG1-CG 4.39Å; V380-R419 HydrophobicContact CG2-CG 4.01Å
420Y96.1Very high94.1Very high147 Ų14757.8 Ų57.858%0.57629%0.288SS*.THydrogen-bonded Turntrans-110.410.6-173.9-55.7-79.4000112.6G418 F422 E423G418-Y420 PolarHBondContact O-N 2.87Å; G418-Y420 VanDerWaalsContact O-N 3.09Å; Y420-F422 PolarHBondContact O-N 3.35Å; Y420-F422 VanDerWaalsContact O-N 3.15Å; Y420-E423 WeakPolarHBondContact O-CB 3.34Å; Y420-E423 PolarHBondContact O-N 2.95Å; Y420-E423 VanDerWaalsContact O-N 3.12Å
421T96.4Very high94.2Very high6 Ų663.3 Ų63.34%0.03731%0.311CS..THydrogen-bonded Turntrans-54.5-36.7-177.2-72.20000113.9V384 N413 V414 G417 G418V384-T421 HydrophobicContact CG1-CG2 3.96Å; N413-T421 HydrophobicContact CB-CG2 3.95Å; N413-T421 PolarHBondContact ND2-O 2.93Å; V414-T421 HydrophobicContact CB-CG2 4.21Å; V414-T421 HydrophobicContact CG2-CG2 3.42Å; V414-T421 VanDerWaalsContact CG2-CG2 3.42Å; G417-T421 WeakPolarHBondContact CA-OG1 3.48Å; G418-T421 PolarHBondContact N-OG1 3.46Å; G418-T421 WeakPolarHBondContact O-CB 3.46Å; G418-T421 PolarHBondContact O-N 3.06Å; G418-T421 PolarHBondContact O-OG1 3.26Å; G418-T421 VanDerWaalsContact O-OG1 3.09Å
422F97.3Very high94.3Very high1 Ų164 Ų640%0.00431%0.311CS..THydrogen-bonded Turntrans-101.920-177.3-56.6-76.7000113.5F365 V369 L372 V384 I387 W388 L392 T410 V414 Y420 A425 Q426F365-F422 HydrophobicContact CE2-CD1 4.17Å; F365-F422 HydrophobicContact CE2-CG 4.49Å; F365-F422 HydrophobicContact CZ-CB 4.18Å; F365-F422 HydrophobicContact CZ-CD1 4.27Å; F365-F422 HydrophobicContact CZ-CG 4.46Å; V369-F422 HydrophobicContact CB-CB 4.46Å; V369-F422 HydrophobicContact CG1-CB 3.88Å; V369-F422 HydrophobicContact CG2-CB 3.64Å; V369-F422 HydrophobicContact CG2-CD2 4.11Å; V369-F422 HydrophobicContact CG2-CG 3.99Å; L372-F422 HydrophobicContact CD2-CD2 3.6Å; L372-F422 HydrophobicContact CD2-CE2 3.82Å; V384-F422 HydrophobicContact CB-CE2 4.25Å; V384-F422 HydrophobicContact CG1-CE2 4.03Å; V384-F422 HydrophobicContact CG1-CZ 3.99Å; V384-F422 HydrophobicContact CG2-CE2 4.14Å; V384-F422 WeakPolarHBondContact O-CZ 3.39Å; I387-F422 HydrophobicContact CB-CE2 3.89Å; I387-F422 HydrophobicContact CB-CZ 3.89Å; I387-F422 HydrophobicContact CD1-CE2 4.28Å; I387-F422 HydrophobicContact CG2-CD1 4.41Å; I387-F422 HydrophobicContact CG2-CD2 4.17Å; I387-F422 HydrophobicContact CG2-CE1 4.03Å; I387-F422 HydrophobicContact CG2-CE2 3.74Å; I387-F422 HydrophobicContact CG2-CG 4.49Å; I387-F422 HydrophobicContact CG2-CZ 3.67Å; W388-F422 HydrophobicContact CB-CZ 4.38Å; W388-F422 HydrophobicContact CE3-CE1 4.42Å; L392-F422 HydrophobicContact CD1-CD1 3.98Å; L392-F422 HydrophobicContact CD1-CE1 3.92Å; T410-F422 HydrophobicContact CG2-CD1 3.44Å; T410-F422 VanDerWaalsContact CG2-CD1 3.44Å; T410-F422 HydrophobicContact CG2-CE1 3.79Å; T410-F422 HydrophobicContact CG2-CG 4.48Å; V414-F422 HydrophobicContact CG2-CE1 4.03Å; V414-F422 HydrophobicContact CG2-CZ 4.16Å; Y420-F422 PolarHBondContact O-N 3.35Å; Y420-F422 VanDerWaalsContact O-N 3.15Å; F422-A425 PolarHBondContact O-N 3.49Å; F422-Q426 WeakPolarHBondContact O-CB 3.4Å; F422-Q426 PolarHBondContact O-N 3Å
423E95.4Very high94.4Very high94 Ų9457.5 Ų57.544%0.43928%0.281SS..Hα-helixtrans-61.3-48.7-173.8-172.6158.5-153.900112.7Y420 Q426 E427Y420-E423 WeakPolarHBondContact O-CB 3.34Å; Y420-E423 PolarHBondContact O-N 2.95Å; Y420-E423 VanDerWaalsContact O-N 3.12Å; E423-Q426 PolarHBondContact O-N 2.87Å; E423-E427 PolarHBondContact O-N 3.07Å
424D94.1Very high94.7Very high61 Ų6159.1 Ų59.133%0.32629%0.285SS..Hα-helixtrans-61.3-48.5177.2-57.5-91.6000112I409 Q426 E427 H428I409-D424 HydrophobicContact CG2-CB 4.45Å; I409-D424 WeakPolarHBondContact CG2-OD2 3.46Å; D424-Q426 VanDerWaalsContact C-N 3.35Å; D424-Q426 PolarHBondContact O-N 3.33Å; D424-E427 PolarHBondContact O-N 3.29Å; D424-H428 PolarHBondContact O-N 2.83Å
425A96.1Very high94.8Very high0 Ų062.2 Ų62.20%031%0.308CS..Hα-helixtrans-61.2-42.2176.900000112.1F365 L402 F422 H428 I429F365-A425 HydrophobicContact CE1-CB 4.11Å; F365-A425 HydrophobicContact CZ-CB 3.77Å; L402-A425 HydrophobicContact CD1-CB 3.62Å; L402-A425 HydrophobicContact CD2-CB 4.21Å; F422-A425 PolarHBondContact O-N 3.49Å; A425-H428 PolarHBondContact O-N 3.09Å; A425-I429 VanDerWaalsContact O-CG1 3.27Å; A425-I429 WeakPolarHBondContact O-CG1 3.44Å; A425-I429 PolarHBondContact O-N 3.4Å
426Q96.9Very high95.1Very high10 Ų1057 Ų575%0.04729%0.288CS..Hα-helixtrans-64.7-41.1178.1-175.8-18045.900111.6W366 V369 F422 E423 D424 Y430W366-Q426 HydrophobicContact CG-CG 4.26Å; W366-Q426 PolarHBondContact O-NE2 3.29Å; V369-Q426 HydrophobicContact CB-CG 4.37Å; V369-Q426 HydrophobicContact CG1-CB 4.05Å; V369-Q426 VanDerWaalsContact CG1-CD 3.44Å; V369-Q426 HydrophobicContact CG1-CG 4.14Å; F422-Q426 WeakPolarHBondContact O-CB 3.4Å; F422-Q426 PolarHBondContact O-N 3Å; E423-Q426 PolarHBondContact O-N 2.87Å; D424-Q426 VanDerWaalsContact C-N 3.35Å; D424-Q426 PolarHBondContact O-N 3.33Å; Q426-Y430 VanDerWaalsContact O-CB 3.26Å; Q426-Y430 WeakPolarHBondContact O-CB 3.41Å; Q426-Y430 PolarHBondContact O-N 2.87Å
427E95.8Very high95.5Very high99 Ų9950 Ų5046%0.46325%0.252SS..Hα-helixtrans-65.1-43.1177.4-171.9179.7-179.500111.4E423 D424 Y430 K431E423-E427 PolarHBondContact O-N 3.07Å; D424-E427 PolarHBondContact O-N 3.29Å; E427-Y430 PolarHBondContact O-N 2.86Å; E427-K431 VanDerWaalsContact CD-NZ 3.33Å; E427-K431 HydrophobicContact CG-CD 4.29Å; E427-K431 WeakPolarHBondContact O-CG 3.43Å; E427-K431 PolarHBondContact O-N 3.4Å; E427-K431 WeakPolarHBondContact OE1-CE 3.43Å; E427-K431 IonicContact OE1-NZ 3.43Å; E427-K431 PolarHBondContact OE1-NZ 2.76Å
428H95.6Very high96Very high51 Ų5149.6 Ų49.624%0.23624%0.242CC..Hα-helixtrans-57.1-53.3175.1-17795.8000111.1L402 D403 D424 A425 Y430 K431 L432L402-H428 HydrophobicContact CD2-CB 4.14Å; D403-H428 IonicContact OD2-CE1 2.66Å; D403-H428 PolarHBondContact OD2-CE1 3.23Å; D403-H428 IonicContact OD2-CG 2.76Å; D403-H428 IonicContact OD2-ND1 3.62Å; D403-H428 PolarHBondContact OD2-ND1 3.23Å; D424-H428 PolarHBondContact O-N 2.83Å; A425-H428 PolarHBondContact O-N 3.09Å; H428-Y430 VanDerWaalsContact C-N 3.33Å; H428-Y430 PolarHBondContact O-N 3.36Å; H428-K431 PolarHBondContact O-N 2.95Å; H428-L432 WeakPolarHBondContact O-CB 3.25Å; H428-L432 PolarHBondContact O-N 3.37Å
429I96.8Very high96.3Very high0 Ų050 Ų500%024%0.242CC..Hα-helixtrans-64.1-37.7-179-65.2-66.1000112N362 F365 I400 L402 A425 L432 M433N362-I429 HydrophobicContact CB-CG2 3.86Å; N362-I429 WeakPolarHBondContact O-CG2 3.39Å; F365-I429 HydrophobicContact CD1-CB 4.23Å; F365-I429 HydrophobicContact CD1-CG1 3.9Å; F365-I429 HydrophobicContact CD1-CG2 4.24Å; F365-I429 HydrophobicContact CE1-CB 4.44Å; F365-I429 HydrophobicContact CE1-CG1 3.98Å; I400-I429 HydrophobicContact CB-CD1 4.27Å; I400-I429 HydrophobicContact CD1-CD1 3.99Å; I400-I429 HydrophobicContact CD1-CG1 3.96Å; I400-I429 HydrophobicContact CG1-CD1 4.48Å; L402-I429 HydrophobicContact CD2-CD1 3.72Å; L402-I429 HydrophobicContact CD2-CG1 3.68Å; A425-I429 VanDerWaalsContact O-CG1 3.27Å; A425-I429 WeakPolarHBondContact O-CG1 3.44Å; A425-I429 PolarHBondContact O-N 3.4Å; I429-L432 HydrophobicContact CD1-CD2 4.48Å; I429-L432 PolarHBondContact O-N 3.2Å; I429-M433 HydrophobicContact CG2-CE 3.84Å; I429-M433 HydrophobicContact CG2-SD 4.47Å; I429-M433 WeakPolarHBondContact O-CG 3.37Å; I429-M433 PolarHBondContact O-N 3.07Å
430Y97.1Very high96.3Very high38 Ų3850.6 Ų50.615%0.14924%0.244CC..Hα-helixtrans-61.5-47.6174.3175.1-85.7000111.6F337 D338 L341 W366 Q426 E427 H428 L432 M433 K434F337-Y430 AromaticContact CD1-CD2 3.88Å; F337-Y430 HydrophobicContact CD1-CD2 3.88Å; F337-Y430 HydrophobicContact CD1-CE1 4.38Å; F337-Y430 AromaticContact CD1-CE2 3.5Å; F337-Y430 HydrophobicContact CD1-CE2 3.5Å; F337-Y430 HydrophobicContact CD1-CG 4.49Å; F337-Y430 AromaticContact CD1-CZ 3.77Å; F337-Y430 AromaticContact CE1-CD2 3.76Å; F337-Y430 HydrophobicContact CE1-CD2 3.76Å; F337-Y430 AromaticContact CE1-CE2 3.87Å; F337-Y430 HydrophobicContact CE1-CE2 3.87Å; F337-Y430 HydrophobicContact CE1-CG 4.33Å; D338-Y430 PolarHBondContact OD1-OH 3.04Å; D338-Y430 PolarHBondContact OD2-OH 3.16Å; L341-Y430 HydrophobicContact CD1-CD2 4.05Å; L341-Y430 HydrophobicContact CD1-CE2 3.83Å; W366-Y430 HydrophobicContact CZ2-CD2 4.32Å; W366-Y430 AromaticContact NE1-CD2 3.66Å; Q426-Y430 VanDerWaalsContact O-CB 3.26Å; Q426-Y430 WeakPolarHBondContact O-CB 3.41Å; Q426-Y430 PolarHBondContact O-N 2.87Å; E427-Y430 PolarHBondContact O-N 2.86Å; H428-Y430 VanDerWaalsContact C-N 3.33Å; H428-Y430 PolarHBondContact O-N 3.36Å; Y430-L432 VanDerWaalsContact C-N 3.34Å; Y430-L432 PolarHBondContact O-N 3.05Å; Y430-M433 PolarHBondContact O-N 3.14Å; Y430-K434 HydrophobicContact CD1-CD 4.48Å; Y430-K434 HydrophobicContact CE1-CB 4.47Å; Y430-K434 HydrophobicContact CE1-CD 3.6Å; Y430-K434 WeakPolarHBondContact O-CB 3.49Å; Y430-K434 PolarHBondContact O-N 3.48Å; Y430-K434 PolarHBondContact OH-NZ 3.26Å
431K95.8Very high96.4Very high115 Ų11543.7 Ų43.750%0.522%0.217SC..Hα-helixtrans-63.5-40.4178.5-73.5173.4-176.4165.30111.6E427 H428 K434 S435E427-K431 VanDerWaalsContact CD-NZ 3.33Å; E427-K431 HydrophobicContact CG-CD 4.29Å; E427-K431 WeakPolarHBondContact O-CG 3.43Å; E427-K431 PolarHBondContact O-N 3.4Å; E427-K431 WeakPolarHBondContact OE1-CE 3.43Å; E427-K431 IonicContact OE1-NZ 3.43Å; E427-K431 PolarHBondContact OE1-NZ 2.76Å; H428-K431 PolarHBondContact O-N 2.95Å; K431-K434 PolarHBondContact O-N 3.3Å; K431-S435 WeakPolarHBondContact O-CB 3.39Å; K431-S435 PolarHBondContact O-N 3.33Å; K431-S435 PolarHBondContact O-OG 3.5Å
432L95.1Very high96.4Very high59 Ų5945.1 Ų45.131%0.30922%0.224SC..Hα-helixtrans-58.2-56.1175.1-179.463.9000111.1H428 I429 Y430 K434 S435 D436H428-L432 WeakPolarHBondContact O-CB 3.25Å; H428-L432 PolarHBondContact O-N 3.37Å; I429-L432 HydrophobicContact CD1-CD2 4.48Å; I429-L432 PolarHBondContact O-N 3.2Å; Y430-L432 VanDerWaalsContact C-N 3.34Å; Y430-L432 PolarHBondContact O-N 3.05Å; L432-K434 VanDerWaalsContact C-N 3.33Å; L432-K434 PolarHBondContact O-N 3.48Å; L432-S435 PolarHBondContact O-N 2.8Å; L432-S435 PolarHBondContact O-OG 3.46Å; L432-D436 PolarHBondContact O-N 2.68Å
433M96.7Very high96.4Very high0 Ų053.7 Ų53.70%026%0.257CS..Hα-helixtrans-61.5-40.4178.5-70.1-171.8-65.500112.4F337 F350 N362 L363 W366 I429 Y430 S435 S437 Y438F337-M433 HydrophobicContact CE1-CB 3.85Å; F337-M433 HydrophobicContact CE1-CE 4.3Å; F337-M433 HydrophobicContact CE2-CB 4.45Å; F337-M433 HydrophobicContact CZ-CB 3.53Å; F337-M433 HydrophobicContact CZ-CE 4.02Å; F337-M433 HydrophobicContact CZ-SD 4.32Å; F350-M433 HydrophobicContact CE1-SD 4.38Å; N362-M433 HydrophobicContact CB-CG 3.93Å; N362-M433 HydrophobicContact CB-SD 3.76Å; L363-M433 HydrophobicContact CB-SD 3.92Å; L363-M433 HydrophobicContact CD1-CE 4.5Å; L363-M433 HydrophobicContact CD1-SD 4.43Å; W366-M433 HydrophobicContact CB-CE 3.88Å; W366-M433 HydrophobicContact CG-CE 4.11Å; I429-M433 HydrophobicContact CG2-CE 3.84Å; I429-M433 HydrophobicContact CG2-SD 4.47Å; I429-M433 WeakPolarHBondContact O-CG 3.37Å; I429-M433 PolarHBondContact O-N 3.07Å; Y430-M433 PolarHBondContact O-N 3.14Å; M433-S435 PolarHBondContact O-N 3.09Å; M433-S437 PolarHBondContact O-N 2.83Å; M433-Y438 VanDerWaalsContact O-CB 3.28Å; M433-Y438 WeakPolarHBondContact O-CB 3.44Å; M433-Y438 PolarHBondContact O-N 3.16Å
434K97.2Very high96.5Very high91 Ų9150.2 Ų50.240%0.39624%0.243SC..Hα-helixtrans-62-42-179.3-178.2166.9-176164.50112.6F337 Y430 K431 L432F337-K434 HydrophobicContact CB-CB 4.31Å; F337-K434 HydrophobicContact CB-CD 4.23Å; F337-K434 HydrophobicContact CB-CG 3.92Å; F337-K434 HydrophobicContact CD1-CB 3.61Å; F337-K434 HydrophobicContact CD1-CD 4.41Å; F337-K434 HydrophobicContact CD1-CG 4.13Å; F337-K434 HydrophobicContact CE1-CB 4.18Å; F337-K434 HydrophobicContact CG-CB 4.15Å; F337-K434 HydrophobicContact CG-CG 4.31Å; Y430-K434 HydrophobicContact CD1-CD 4.48Å; Y430-K434 HydrophobicContact CE1-CB 4.47Å; Y430-K434 HydrophobicContact CE1-CD 3.6Å; Y430-K434 WeakPolarHBondContact O-CB 3.49Å; Y430-K434 PolarHBondContact O-N 3.48Å; Y430-K434 PolarHBondContact OH-NZ 3.26Å; K431-K434 PolarHBondContact O-N 3.3Å; L432-K434 VanDerWaalsContact C-N 3.33Å; L432-K434 PolarHBondContact O-N 3.48Å
435S95.6Very high96.5Very high89 Ų8953.2 Ų53.262%0.62226%0.259SS*.Hα-helixtrans-84.4-29-174.9570000113.6K431 L432 M433K431-S435 WeakPolarHBondContact O-CB 3.39Å; K431-S435 PolarHBondContact O-N 3.33Å; K431-S435 PolarHBondContact O-OG 3.5Å; L432-S435 PolarHBondContact O-N 2.8Å; L432-S435 PolarHBondContact O-OG 3.46Å; M433-S435 PolarHBondContact O-N 3.09Å
436D95.6Very high96.3Very high65 Ų6555.6 Ų55.635%0.34828%0.279SS..THydrogen-bonded Turntrans-113.2-75.7-177.7179.144.7000112.6L432 Y438 A439 R440L432-D436 PolarHBondContact O-N 2.68Å; D436-Y438 PolarHBondContact O-N 3.18Å; D436-A439 PolarHBondContact O-N 2.66Å; D436-A439 VanDerWaalsContact O-N 3.11Å; D436-R440 PolarHBondContact O-N 3.06Å; D436-R440 IonicContact OD1-CZ 2.74Å; D436-R440 IonicContact OD1-NE 3.42Å; D436-R440 PolarHBondContact OD1-NE 2.94Å; D436-R440 IonicContact OD1-NH2 3.9Å; D436-R440 IonicContact OD2-CZ 3.37Å; D436-R440 IonicContact OD2-NE 3.7Å; D436-R440 PolarHBondContact OD2-NE 2.91Å; D436-R440 IonicContact OD2-NH2 3.07Å; D436-R440 PolarHBondContact OD2-NH2 3.08Å
437S96.8Very high96.2Very high4 Ų455.8 Ų55.83%0.02828%0.279CS..Hα-helixtrans-60.3-40.6-169.1-41.20000113.5M433 R440 F441M433-S437 PolarHBondContact O-N 2.83Å; S437-R440 PolarHBondContact O-N 2.95Å; S437-F441 WeakPolarHBondContact O-CB 3.36Å; S437-F441 PolarHBondContact O-N 3.49Å
438Y98.1Very high96.2Very high18 Ų1854.4 Ų54.47%0.07127%0.272CS..Hα-helixtrans-66.1-42.8176.7173-113.3000111.9W333 G334 S336 F337 I340 M433 D436 R440 F441 L442W333-Y438 PolarHBondContact O-OH 3.3Å; G334-Y438 VanDerWaalsContact C-OH 3.29Å; G334-Y438 WeakPolarHBondContact CA-OH 3.28Å; G334-Y438 PolarHBondContact O-OH 3.41Å; S336-Y438 PolarHBondContact N-OH 3.08Å; S336-Y438 PolarHBondContact O-OH 3.28Å; F337-Y438 HydrophobicContact CB-CD1 3.94Å; F337-Y438 HydrophobicContact CB-CD2 4.49Å; F337-Y438 HydrophobicContact CB-CE1 4.11Å; F337-Y438 HydrophobicContact CB-CG 4.14Å; F337-Y438 HydrophobicContact CD2-CD1 4.21Å; F337-Y438 AromaticContact CD2-CD2 3.57Å; F337-Y438 HydrophobicContact CD2-CD2 3.57Å; F337-Y438 HydrophobicContact CD2-CE2 4.26Å; F337-Y438 AromaticContact CD2-CG 3.53Å; F337-Y438 HydrophobicContact CD2-CG 3.53Å; F337-Y438 HydrophobicContact CE2-CD2 4.29Å; F337-Y438 HydrophobicContact CE2-CG 4.28Å; F337-Y438 HydrophobicContact CG-CD1 4.39Å; F337-Y438 HydrophobicContact CG-CD2 4.46Å; F337-Y438 HydrophobicContact CG-CG 4.14Å; I340-Y438 HydrophobicContact CB-CE2 4.42Å; I340-Y438 HydrophobicContact CG2-CD2 3.9Å; I340-Y438 HydrophobicContact CG2-CE2 3.66Å; M433-Y438 VanDerWaalsContact O-CB 3.28Å; M433-Y438 WeakPolarHBondContact O-CB 3.44Å; M433-Y438 PolarHBondContact O-N 3.16Å; D436-Y438 PolarHBondContact O-N 3.18Å; Y438-R440 VanDerWaalsContact C-N 3.27Å; Y438-R440 PolarHBondContact O-N 3.37Å; Y438-F441 WeakPolarHBondContact O-CB 3.33Å; Y438-F441 PolarHBondContact O-N 3.39Å; Y438-L442 HydrophobicContact CD1-CD1 4.49Å; Y438-L442 HydrophobicContact CD2-CG 4.37Å; Y438-L442 HydrophobicContact CE1-CD1 3.8Å; Y438-L442 HydrophobicContact CE1-CG 4.41Å; Y438-L442 HydrophobicContact CE2-CD1 4.1Å; Y438-L442 HydrophobicContact CE2-CD2 3.89Å; Y438-L442 HydrophobicContact CE2-CG 3.94Å; Y438-L442 WeakPolarHBondContact O-CG 3.33Å; Y438-L442 PolarHBondContact O-N 3.01Å
439A97Very high96.1Very high33 Ų3356.9 Ų56.927%0.27329%0.287SS..Hα-helixtrans-65-31.8176.500000112.1D436 R443D436-A439 PolarHBondContact O-N 2.66Å; D436-A439 VanDerWaalsContact O-N 3.11Å; A439-R443 PolarHBondContact O-NE 3.24Å
440R97.6Very high95.9Very high82 Ų8259 Ų5931%0.30930%0.299SS..Hα-helixtrans-72.8-42.9171.4-69.3-167.8-79.1130.20111.8F353 E357 D436 S437 Y438 L442 R443 S444F353-R440 HydrophobicContact CE1-CB 4.44Å; F353-R440 HydrophobicContact CZ-CB 4.04Å; E357-R440 IonicContact OE1-NH1 2.63Å; E357-R440 PolarHBondContact OE1-NH1 3.11Å; E357-R440 IonicContact OE2-CZ 3.19Å; E357-R440 IonicContact OE2-NH1 2.67Å; E357-R440 PolarHBondContact OE2-NH1 3.03Å; E357-R440 IonicContact OE2-NH2 2.89Å; D436-R440 PolarHBondContact O-N 3.06Å; D436-R440 IonicContact OD1-CZ 2.74Å; D436-R440 IonicContact OD1-NE 3.42Å; D436-R440 PolarHBondContact OD1-NE 2.94Å; D436-R440 IonicContact OD1-NH2 3.9Å; D436-R440 IonicContact OD2-CZ 3.37Å; D436-R440 IonicContact OD2-NE 3.7Å; D436-R440 PolarHBondContact OD2-NE 2.91Å; D436-R440 IonicContact OD2-NH2 3.07Å; D436-R440 PolarHBondContact OD2-NH2 3.08Å; S437-R440 PolarHBondContact O-N 2.95Å; Y438-R440 VanDerWaalsContact C-N 3.27Å; Y438-R440 PolarHBondContact O-N 3.37Å; R440-L442 PolarHBondContact O-N 2.87Å; R440-R443 CarbonylContact O-C 3.44Å; R440-R443 PolarHBondContact O-N 3.24Å; R440-R443 VanDerWaalsContact O-N 3.07Å; R440-S444 PolarHBondContact O-N 2.93Å
441F97.9Very high95.7Very high1 Ų159 Ų590%0.00430%0.301CS..Hα-helixtrans-55.1-48.4175.4172.2-102.3000112.4I340 Q349 F350 F353 S437 Y438 R443 S444 Y447I340-F441 HydrophobicContact CD1-CD1 3.72Å; I340-F441 HydrophobicContact CD1-CE1 3.22Å; I340-F441 HydrophobicContact CD1-CZ 3.83Å; Q349-F441 HydrophobicContact CB-CZ 4.42Å; F350-F441 HydrophobicContact CD2-CB 3.75Å; F350-F441 HydrophobicContact CD2-CD1 4.13Å; F350-F441 AromaticContact CD2-CD2 3.92Å; F350-F441 HydrophobicContact CD2-CD2 3.92Å; F350-F441 AromaticContact CD2-CG 3.65Å; F350-F441 HydrophobicContact CD2-CG 3.65Å; F350-F441 HydrophobicContact CE2-CB 3.74Å; F350-F441 HydrophobicContact CE2-CG 4.17Å; F353-F441 HydrophobicContact CB-CD2 3.71Å; F353-F441 HydrophobicContact CB-CE2 4.19Å; F353-F441 HydrophobicContact CD1-CB 3.78Å; F353-F441 AromaticContact CD1-CD2 3.92Å; F353-F441 HydrophobicContact CD1-CD2 3.92Å; F353-F441 HydrophobicContact CD1-CG 4.33Å; F353-F441 HydrophobicContact CD2-CD2 4.3Å; F353-F441 HydrophobicContact CE1-CB 3.83Å; F353-F441 HydrophobicContact CG-CB 4.34Å; F353-F441 AromaticContact CG-CD2 3.7Å; F353-F441 HydrophobicContact CG-CD2 3.7Å; F353-F441 HydrophobicContact CZ-CB 4.41Å; S437-F441 WeakPolarHBondContact O-CB 3.36Å; S437-F441 PolarHBondContact O-N 3.49Å; Y438-F441 WeakPolarHBondContact O-CB 3.33Å; Y438-F441 PolarHBondContact O-N 3.39Å; F441-R443 PolarHBondContact O-N 3.13Å; F441-R443 VanDerWaalsContact O-N 3.17Å; F441-S444 VanDerWaalsContact O-CB 3.29Å; F441-S444 WeakPolarHBondContact O-CB 3.34Å; F441-S444 PolarHBondContact O-N 2.73Å; F441-S444 PolarHBondContact O-OG 3.13Å; F441-Y447 HydrophobicContact CD1-CD2 4.44Å; F441-Y447 AromaticContact CE1-CD2 3.59Å; F441-Y447 HydrophobicContact CE1-CD2 3.59Å; F441-Y447 HydrophobicContact CE1-CE2 4.43Å; F441-Y447 HydrophobicContact CE1-CG 4.07Å; F441-Y447 AromaticContact CZ-CD2 3.94Å; F441-Y447 HydrophobicContact CZ-CD2 3.94Å; F441-Y447 HydrophobicContact CZ-CG 4.38Å; F441-Y447 VanDerWaalsContact O-CB 3.27Å; F441-Y447 WeakPolarHBondContact O-CB 3.33Å
442L97.1Very high95.4Very high36 Ų3659.4 Ų59.419%0.18831%0.308CS..Hα-helixtrans-62.8-23.9179.4-66.2-175.2000113.9Y438 R440 Y447 Q448Y438-L442 HydrophobicContact CD1-CD1 4.49Å; Y438-L442 HydrophobicContact CD2-CG 4.37Å; Y438-L442 HydrophobicContact CE1-CD1 3.8Å; Y438-L442 HydrophobicContact CE1-CG 4.41Å; Y438-L442 HydrophobicContact CE2-CD1 4.1Å; Y438-L442 HydrophobicContact CE2-CD2 3.89Å; Y438-L442 HydrophobicContact CE2-CG 3.94Å; Y438-L442 WeakPolarHBondContact O-CG 3.33Å; Y438-L442 PolarHBondContact O-N 3.01Å; R440-L442 PolarHBondContact O-N 2.87Å; L442-Y447 HydrophobicContact CB-CD1 4.5Å; L442-Y447 HydrophobicContact CD2-CD1 4.16Å; L442-Y447 HydrophobicContact CD2-CD2 4.21Å; L442-Y447 HydrophobicContact CD2-CE1 3.93Å; L442-Y447 HydrophobicContact CD2-CE2 3.98Å; L442-Y447 HydrophobicContact CD2-CG 4.29Å; L442-Y447 VanDerWaalsContact O-CD1 3.26Å; L442-Y447 WeakPolarHBondContact O-CD1 3.46Å; L442-Q448 PolarHBondContact O-NE2 3.28Å
443R96.4Very high94.6Very high182 Ų18259.5 Ų59.569%0.68732%0.317SS*.Hα-helixtrans-93.2-9176.1-69.6179.7-70.9-169.52.7113A439 R440 F441A439-R443 PolarHBondContact O-NE 3.24Å; R440-R443 CarbonylContact O-C 3.44Å; R440-R443 PolarHBondContact O-N 3.24Å; R440-R443 VanDerWaalsContact O-N 3.07Å; F441-R443 PolarHBondContact O-N 3.13Å; F441-R443 VanDerWaalsContact O-N 3.17Å
444S96.4Very high92.8Very high20 Ų2067.6 Ų67.614%0.1435%0.352CS..SBendtrans-73151.5-177.875.90000111.8R440 F441 A446 Y447 Q448R440-S444 PolarHBondContact O-N 2.93Å; F441-S444 VanDerWaalsContact O-CB 3.29Å; F441-S444 WeakPolarHBondContact O-CB 3.34Å; F441-S444 PolarHBondContact O-N 2.73Å; F441-S444 PolarHBondContact O-OG 3.13Å; S444-A446 PolarHBondContact O-N 3.45Å; S444-Y447 PolarHBondContact O-N 3.19Å; S444-Y447 PolarHBondContact OG-N 3.08Å; S444-Q448 WeakPolarHBondContact O-CG 3.48Å; S444-Q448 PolarHBondContact O-N 3.32Å; S444-Q448 VanDerWaalsContact O-N 3.1Å
445N94.5Very high90.8Very high125 Ų12571.5 Ų71.567%0.66837%0.369SS*.Hα-helixtrans-58.7-33.1172.8-66.3-19.7000111.4Y447 Q448 D449N445-Y447 VanDerWaalsContact C-N 3.32Å; N445-Y447 PolarHBondContact O-N 3.36Å; N445-Q448 PolarHBondContact O-N 3.27Å; N445-D449 VanDerWaalsContact O-CB 3.25Å; N445-D449 WeakPolarHBondContact O-CB 3.39Å; N445-D449 PolarHBondContact O-N 3.46Å
446A92.3Very high87.8Confident50 Ų5076.3 Ų76.341%0.41338%0.379SS..Hα-helixtrans-57.3-42.7178.300000112.8S444 L450S444-A446 PolarHBondContact O-N 3.45Å; A446-L450 WeakPolarHBondContact O-CD1 3.27Å; A446-L450 WeakPolarHBondContact O-CG 3.4Å
447Y95.8Very high85Confident13 Ų1378.6 Ų78.65%0.05140%0.398CS..Hα-helixtrans-77.2-42.9175.8176.2-102.1000112.2V330 W333 F441 L442 S444 N445 D449 L450 L451V330-Y447 HydrophobicContact CG1-CD2 4.19Å; V330-Y447 HydrophobicContact CG1-CE2 3.72Å; V330-Y447 PolarHBondContact O-OH 2.79Å; W333-Y447 HydrophobicContact CB-CE2 4.39Å; W333-Y447 HydrophobicContact CE3-CE2 4.4Å; F441-Y447 HydrophobicContact CD1-CD2 4.44Å; F441-Y447 AromaticContact CE1-CD2 3.59Å; F441-Y447 HydrophobicContact CE1-CD2 3.59Å; F441-Y447 HydrophobicContact CE1-CE2 4.43Å; F441-Y447 HydrophobicContact CE1-CG 4.07Å; F441-Y447 AromaticContact CZ-CD2 3.94Å; F441-Y447 HydrophobicContact CZ-CD2 3.94Å; F441-Y447 HydrophobicContact CZ-CG 4.38Å; F441-Y447 VanDerWaalsContact O-CB 3.27Å; F441-Y447 WeakPolarHBondContact O-CB 3.33Å; L442-Y447 HydrophobicContact CB-CD1 4.5Å; L442-Y447 HydrophobicContact CD2-CD1 4.16Å; L442-Y447 HydrophobicContact CD2-CD2 4.21Å; L442-Y447 HydrophobicContact CD2-CE1 3.93Å; L442-Y447 HydrophobicContact CD2-CE2 3.98Å; L442-Y447 HydrophobicContact CD2-CG 4.29Å; L442-Y447 VanDerWaalsContact O-CD1 3.26Å; L442-Y447 WeakPolarHBondContact O-CD1 3.46Å; S444-Y447 PolarHBondContact O-N 3.19Å; S444-Y447 PolarHBondContact OG-N 3.08Å; N445-Y447 VanDerWaalsContact C-N 3.32Å; N445-Y447 PolarHBondContact O-N 3.36Å; Y447-D449 VanDerWaalsContact C-N 3.33Å; Y447-D449 PolarHBondContact O-N 3.21Å; Y447-L450 PolarHBondContact O-N 2.87Å; Y447-L451 HydrophobicContact CE1-CD2 4.08Å; Y447-L451 WeakPolarHBondContact O-CB 3.34Å; Y447-L451 PolarHBondContact O-N 3.17Å
448Q95.7Very high82.1Confident70 Ų7087.4 Ų87.433%0.32744%0.438SS..Hα-helixtrans-63.5-39.1-178-64.8-61.6-36.900112.1L442 S444 N445 L450 L451 L452L442-Q448 PolarHBondContact O-NE2 3.28Å; S444-Q448 WeakPolarHBondContact O-CG 3.48Å; S444-Q448 PolarHBondContact O-N 3.32Å; S444-Q448 VanDerWaalsContact O-N 3.1Å; N445-Q448 PolarHBondContact O-N 3.27Å; Q448-L450 PolarHBondContact O-N 3.46Å; Q448-L451 PolarHBondContact O-N 3.36Å; Q448-L452 WeakPolarHBondContact O-CB 3.39Å; Q448-L452 VanDerWaalsContact O-CG 3.26Å; Q448-L452 WeakPolarHBondContact O-CG 3.47Å; Q448-L452 PolarHBondContact O-N 3.23Å
449D93.4Very high79Confident103 Ų10390.2 Ų90.255%0.55146%0.46SS*.Hα-helixtrans-64.8-40.2176.5-68-21.2000111.4N445 Y447 L452 A453N445-D449 VanDerWaalsContact O-CB 3.25Å; N445-D449 WeakPolarHBondContact O-CB 3.39Å; N445-D449 PolarHBondContact O-N 3.46Å; Y447-D449 VanDerWaalsContact C-N 3.33Å; Y447-D449 PolarHBondContact O-N 3.21Å; D449-L452 PolarHBondContact O-N 3.34Å; D449-A453 VanDerWaalsContact O-CB 3.3Å; D449-A453 WeakPolarHBondContact O-CB 3.47Å; D449-A453 PolarHBondContact O-N 3.39Å
450L92.8Very high76.2Confident45 Ų4596.8 Ų96.824%0.23649%0.486CS..Hα-helixtrans-66.2-37.4174.4-71.3172.6000112.2V330 W333 Q349 A446 Y447 Q448 L452V330-L450 HydrophobicContact CG1-CB 4.05Å; V330-L450 HydrophobicContact CG2-CB 4.43Å; W333-L450 HydrophobicContact CZ3-CD1 4.23Å; Q349-L450 HydrophobicContact CB-CD1 4.38Å; Q349-L450 HydrophobicContact CG-CD1 3.87Å; A446-L450 WeakPolarHBondContact O-CD1 3.27Å; A446-L450 WeakPolarHBondContact O-CG 3.4Å; Y447-L450 PolarHBondContact O-N 2.87Å; Q448-L450 PolarHBondContact O-N 3.46Å; L450-L452 VanDerWaalsContact C-N 3.34Å
451L92.3Very high73.3Confident38 Ų38100.4 Ų100.420%0.19951%0.506CS..Hα-helixtrans-70.7-32177.9-172.964.7000112.1Q327 V330 K331 Y447 Q448Q327-L451 HydrophobicContact CG-CD1 4.49Å; Q327-L451 WeakPolarHBondContact CG-O 3.48Å; Q327-L451 PolarHBondContact NE2-O 3.11Å; V330-L451 HydrophobicContact CG1-CB 4.28Å; V330-L451 HydrophobicContact CG1-CD1 4.29Å; K331-L451 HydrophobicContact CB-CD1 3.9Å; Y447-L451 HydrophobicContact CE1-CD2 4.08Å; Y447-L451 WeakPolarHBondContact O-CB 3.34Å; Y447-L451 PolarHBondContact O-N 3.17Å; Q448-L451 PolarHBondContact O-N 3.36Å
452L88.8Confident70.2Confident123 Ų123103.2 Ų103.264%0.64454%0.535SS*.Hα-helixtrans-90.7-14-179.8-67.8174.2000113.7Q448 D449 L450 K454Q448-L452 WeakPolarHBondContact O-CB 3.39Å; Q448-L452 VanDerWaalsContact O-CG 3.26Å; Q448-L452 WeakPolarHBondContact O-CG 3.47Å; Q448-L452 PolarHBondContact O-N 3.23Å; D449-L452 PolarHBondContact O-N 3.34Å; L450-L452 VanDerWaalsContact C-N 3.34Å; L452-K454 VanDerWaalsContact C-N 3.26Å; L452-K454 PolarHBondContact O-N 2.97Å
453A78.1Confident67.5Low61 Ų61111.9 Ų111.950%0.50457%0.565SS.*  trans-62.684176.700000110.9D449 K455D449-A453 VanDerWaalsContact O-CB 3.3Å; D449-A453 WeakPolarHBondContact O-CB 3.47Å; D449-A453 PolarHBondContact O-N 3.39Å; A453-K455 PolarHBondContact O-N 2.96Å
454K60.4Low64.8Low170 Ų170112.9 Ų112.974%0.73957%0.569SS**  trans-65.3133.1166.2-71.5-171.3176.7-175.20107.8L452 K456L452-K454 VanDerWaalsContact C-N 3.26Å; L452-K454 PolarHBondContact O-N 2.97Å; K454-K456 PolarHBondContact O-N 3.18Å
455K54.4Low62.3Low174 Ų174115.7 Ų115.776%0.75759%0.585SS**  trans-50.7112.6155.8-87.6-175.1173.8179.40106.3A453A453-K455 PolarHBondContact O-N 2.96Å
456K33.5Very low60Low189 Ų189114 Ų11482%0.82258%0.583SS**  trans-54.1126.2156.7-85.4-178.8176175.40104.3K454 E458K454-K456 PolarHBondContact O-N 3.18Å; K456-E458 PolarHBondContact O-N 3.15Å
457P36.3Very low57.9Low114 Ų114117.7 Ų117.774%0.7460%0.595SS**  trans-53.4125165.523.9-29.7000104.7S459P457-S459 VanDerWaalsContact C-N 3.28Å; P457-S459 PolarHBondContact O-N 3.01Å
458E35.5Very low55.5Low188 Ų188122.1 Ų122.188%0.87962%0.617SS**  trans-51.5108165.9-79.3-172.314700105.3K456 E460K456-E458 PolarHBondContact O-N 3.15Å; E458-E460 PolarHBondContact O-N 2.85Å
459S33.3Very low53.2Low77 Ų77126 Ų12654%0.53863%0.632SS.*  trans-47133.117047.10000107P457 Q461P457-S459 VanDerWaalsContact C-N 3.28Å; P457-S459 PolarHBondContact O-N 3.01Å; S459-Q461 PolarHBondContact O-N 3.23Å; S459-Q461 PolarHBondContact OG-OE1 2.88Å
460E38.3Very low51.1Low171 Ų171127.7 Ų127.780%0.79964%0.635SS**THydrogen-bonded Turntrans-5723.3175.5-67.6-176.3122.900114.8E458 G462E458-E460 PolarHBondContact O-N 2.85Å; E460-G462 VanDerWaalsContact C-N 3.33Å
461Q36.8Very low49.2Very low159 Ų159129.5 Ų129.574%0.74365%0.648SS**THydrogen-bonded Turntrans-80.5-9.6173.7-87.5149.4-27.800113.5S459S459-Q461 PolarHBondContact O-N 3.23Å; S459-Q461 PolarHBondContact OG-OE1 2.88Å
462G33.2Very low47.3Very low59 Ų59136.6 Ų136.661%0.60867%0.672SS**SBendtrans-83.2-27.4174.200000115.5E460 R464E460-G462 VanDerWaalsContact C-N 3.33Å; G462-R464 PolarHBondContact O-N 3.07Å
463R38.8Very low45.4Very low218 Ų218134.1 Ų134.182%0.82367%0.665SS**THydrogen-bonded Turntrans-79.6-10.9-173.8-101.2179.1176.9166.4-0.2114.9
464R39.5Very low44.2Very low204 Ų204135 Ų13577%0.7766%0.664SS**Hα-helixtrans-81.1-12.4-176.6-122.3174.3-177.8144.30.2115.1G462G462-R464 PolarHBondContact O-N 3.07Å
465T43.9Very low43.7Very low79 Ų79128.6 Ų128.649%0.48565%0.647SS.*Hα-helixtrans-94.9-9.4-174.366.10000115.2K469T465-K469 WeakPolarHBondContact O-CB 3.47Å; T465-K469 VanDerWaalsContact O-CD 3.28Å; T465-K469 WeakPolarHBondContact O-CD 3.18Å; T465-K469 WeakPolarHBondContact O-CG 3.43Å
466S46.6Very low43.3Very low88 Ų88128.7 Ų128.762%0.61564%0.642SS**Hα-helixtrans-87.4-41.9179.2-170.10000112.7K469 F470S466-K469 PolarHBondContact O-N 3.13Å; S466-F470 PolarHBondContact O-N 2.82Å
467L47.6Very low43.9Very low128 Ų128124.8 Ų124.867%0.6763%0.63SS**Hα-helixtrans-70.6-33.7179.5-164.267.4000112.5F470 T471L467-F470 PolarHBondContact O-N 3.45Å; L467-T471 WeakPolarHBondContact O-CB 3.33Å; L467-T471 WeakPolarHBondContact O-CG2 3.32Å; L467-T471 PolarHBondContact O-N 2.92Å; L467-T471 PolarHBondContact O-OG1 3.08Å
468E47.4Very low44.5Very low107 Ų107123.7 Ų123.750%0.562%0.624SS.*Hα-helixtrans-70.3-34.1173-74.4-170.2158.400112.8T471 R472E468-T471 WeakPolarHBondContact CA-OG1 3.4Å; E468-T471 PolarHBondContact O-OG1 3.12Å; E468-R472 WeakPolarHBondContact O-CB 3.34Å; E468-R472 VanDerWaalsContact O-CG 3.3Å; E468-R472 WeakPolarHBondContact O-CG 3.42Å; E468-R472 PolarHBondContact O-N 2.72Å
469K47.3Very low45.2Very low150 Ų150122.5 Ų122.565%0.65262%0.616SS**Hα-helixtrans-70.2-38.1173.7-76.6175.9-173.4173.60111.5T465 S466 S473T465-K469 WeakPolarHBondContact O-CB 3.47Å; T465-K469 VanDerWaalsContact O-CD 3.28Å; T465-K469 WeakPolarHBondContact O-CD 3.18Å; T465-K469 WeakPolarHBondContact O-CG 3.43Å; S466-K469 PolarHBondContact O-N 3.13Å; K469-S473 WeakPolarHBondContact O-CB 3.16Å; K469-S473 PolarHBondContact O-N 3.03Å; K469-S473 VanDerWaalsContact O-N 3.08Å
470F48.2Very low45.9Very low140 Ų140124.9 Ų124.961%0.61462%0.617SS**Hα-helixtrans-67.9-47.4176-165.9-100.8000111.8S466 L467 R472 S473 V474S466-F470 PolarHBondContact O-N 2.82Å; L467-F470 PolarHBondContact O-N 3.45Å; F470-R472 PolarHBondContact O-N 2.84Å; F470-S473 PolarHBondContact O-N 2.8Å; F470-V474 HydrophobicContact CD1-CG2 4.1Å; F470-V474 HydrophobicContact CE1-CG2 3.87Å; F470-V474 HydrophobicContact CZ-CG2 4.13Å; F470-V474 VanDerWaalsContact O-CG2 3.27Å; F470-V474 WeakPolarHBondContact O-CG2 3.11Å; F470-V474 PolarHBondContact O-N 3.12Å
471T53.8Low46.4Very low82 Ų82124.8 Ų124.850%0.50361%0.614SS.*Hα-helixtrans-66.3-34.817949.40000113.1L467 E468 G475L467-T471 WeakPolarHBondContact O-CB 3.33Å; L467-T471 WeakPolarHBondContact O-CG2 3.32Å; L467-T471 PolarHBondContact O-N 2.92Å; L467-T471 PolarHBondContact O-OG1 3.08Å; E468-T471 WeakPolarHBondContact CA-OG1 3.4Å; E468-T471 PolarHBondContact O-OG1 3.12Å; T471-G475 PolarHBondContact O-N 3.44Å
472R51.6Low46.9Very low187 Ų187125.1 Ų125.171%0.70661%0.613SS**Hα-helixtrans-68.2-38.1171.8-76-179.6-176.7-179.94.6112.9E468 F470 W476E468-R472 WeakPolarHBondContact O-CB 3.34Å; E468-R472 VanDerWaalsContact O-CG 3.3Å; E468-R472 WeakPolarHBondContact O-CG 3.42Å; E468-R472 PolarHBondContact O-N 2.72Å; F470-R472 PolarHBondContact O-N 2.84Å; R472-W476 WeakPolarHBondContact O-CB 3.39Å; R472-W476 PolarHBondContact O-N 2.75Å
473S48.6Very low47.6Very low72 Ų72129.8 Ų129.850%0.50362%0.616SS.*Hα-helixtrans-67.8-43.6178.2-173.70000112.3K469 F470 W476 N477K469-S473 WeakPolarHBondContact O-CB 3.16Å; K469-S473 PolarHBondContact O-N 3.03Å; K469-S473 VanDerWaalsContact O-N 3.08Å; F470-S473 PolarHBondContact O-N 2.8Å; S473-W476 PolarHBondContact O-N 3.22Å; S473-N477 PolarHBondContact O-N 3.32Å
474V54.3Low47.9Very low79 Ų79127.8 Ų127.848%0.47961%0.614SS.*Hα-helixtrans-69.8-38.4177.7-176.80000111.2F470 W476 N477 C478F470-V474 HydrophobicContact CD1-CG2 4.1Å; F470-V474 HydrophobicContact CE1-CG2 3.87Å; F470-V474 HydrophobicContact CZ-CG2 4.13Å; F470-V474 VanDerWaalsContact O-CG2 3.27Å; F470-V474 WeakPolarHBondContact O-CG2 3.11Å; F470-V474 PolarHBondContact O-N 3.12Å; V474-W476 PolarHBondContact O-N 2.9Å; V474-N477 PolarHBondContact O-N 3.14Å; V474-C478 PolarHBondContact O-N 3.23Å; V474-C478 VanDerWaalsContact O-N 3.1Å
475G48.9Very low48.2Very low36 Ų36127 Ų12737%0.37162%0.616SS.*Hα-helixtrans-64.6-34.7174.900000114T471 K479T471-G475 PolarHBondContact O-N 3.44Å; G475-K479 PolarHBondContact O-N 2.67Å
476W45Very low48.3Very low176 Ų176131.2 Ų131.267%0.66763%0.63SS**Hα-helixtrans-72-38.9176.3-153.9-13.5000112R472 S473 V474 C478 K479 K480R472-W476 WeakPolarHBondContact O-CB 3.39Å; R472-W476 PolarHBondContact O-N 2.75Å; S473-W476 PolarHBondContact O-N 3.22Å; V474-W476 PolarHBondContact O-N 2.9Å; W476-C478 VanDerWaalsContact C-N 3.34Å; W476-C478 PolarHBondContact O-N 3.3Å; W476-K479 PolarHBondContact O-N 3.09Å; W476-K480 PolarHBondContact O-N 3.34Å
477N47.9Very low48.3Very low107 Ų107135.3 Ų135.357%0.57264%0.639SS**Hα-helixtrans-67.6-33.1176.5-102.5-6.7000112.9S473 V474 K481S473-N477 PolarHBondContact O-N 3.32Å; V474-N477 PolarHBondContact O-N 3.14Å; N477-K481 PolarHBondContact O-N 3.05Å; N477-K481 VanDerWaalsContact O-N 3.14Å
478C47.9Very low48.5Very low90 Ų90133 Ų13361%0.60864%0.639SS**Hα-helixtrans-71.6-38.3176.1-146.30000112.2V474 W476 K481 K482V474-C478 PolarHBondContact O-N 3.23Å; V474-C478 VanDerWaalsContact O-N 3.1Å; W476-C478 VanDerWaalsContact C-N 3.34Å; W476-C478 PolarHBondContact O-N 3.3Å; C478-K481 PolarHBondContact O-N 3.48Å; C478-K482 PolarHBondContact O-N 2.78Å; C478-K482 VanDerWaalsContact O-N 3.15Å
479K50Low48.2Very low164 Ų164132.4 Ų132.471%0.71365%0.652SS**Hα-helixtrans-67.8-35.8173.8-75.7-176.4178.5179.40113.2G475 W476 K482 K483G475-K479 PolarHBondContact O-N 2.67Å; W476-K479 PolarHBondContact O-N 3.09Å; K479-K482 PolarHBondContact O-N 3.5Å; K479-K483 PolarHBondContact O-N 2.87Å
480K48.6Very low48.3Very low126 Ų126131.4 Ų131.455%0.54866%0.661SS.*Hα-helixtrans-69.5-34.1174.8-77-175.4178.5176.70112.8W476 K484W476-K480 PolarHBondContact O-N 3.34Å; K480-K484 PolarHBondContact O-N 2.99Å
481K48Very low47.8Very low170 Ų170130.7 Ų130.774%0.73967%0.673SS**Hα-helixtrans-71.8-31.5174.2-82.3-173.6175.4-179.80113.4N477 C478N477-K481 PolarHBondContact O-N 3.05Å; N477-K481 VanDerWaalsContact O-N 3.14Å; C478-K481 PolarHBondContact O-N 3.48Å
482K48.1Very low47.1Very low165 Ų165131.7 Ų131.772%0.71769%0.69SS**Hα-helixtrans-69.1-45172.4-106.2-176.2174.3-1760112.5C478 K479 K484 K485C478-K482 PolarHBondContact O-N 2.78Å; C478-K482 VanDerWaalsContact O-N 3.15Å; K479-K482 PolarHBondContact O-N 3.5Å; K482-K484 VanDerWaalsContact C-N 3.32Å; K482-K484 PolarHBondContact O-N 3.32Å; K482-K485 PolarHBondContact O-N 3.41Å
483K47.3Very low46.6Very low158 Ų158132.3 Ų132.369%0.68770%0.701SS**Hα-helixtrans-64.7-29.3177.4-101.5-170.9174.9-173.60114.5K479K479-K483 PolarHBondContact O-N 2.87Å
484K46.2Very low46.2Very low176 Ų176132.2 Ų132.277%0.76571%0.712SS**Hα-helixtrans-78-15.2175.6-102.5-172.3174.3-173.10114.4K480 K482K480-K484 PolarHBondContact O-N 2.99Å; K482-K484 VanDerWaalsContact C-N 3.32Å; K482-K484 PolarHBondContact O-N 3.32Å
485K45.6Very low45.3Very low188 Ų188138.2 Ų138.282%0.81776%0.757SS**Hα-helixtrans-91.7-18.7177.2-113.5-173.6176.1-171.60113.6K482K482-K485 PolarHBondContact O-N 3.41Å
486E45Very low45.1Very low167 Ų167143.3 Ų143.378%0.7878%0.776SS**SBendtrans-88.8-9.8175.5-86.8173.3156.900114.1
487Q47.8Very low45.1Very low173 Ų173141.6 Ų141.681%0.80878%0.782SS**SBendtrans-10511179.7-73.7-176.6-12.300114.1
488A50.1Low44.9Very low81 Ų81143.5 Ų143.567%0.66979%0.793SS**  trans-131.573.9177.600000110.4
489A42.9Very low44.8Very low93 Ų93146.6 Ų146.677%0.76980%0.804SS**  trans-131.5119.3160.400000107.5
490P49.3Very low44.4Very low129 Ų129145.6 Ų145.684%0.83881%0.81SS**  trans-88.5143.8-176.433.3-30.8000112
491S37.9Very low44.1Very low126 Ų126146.9 Ų146.988%0.88183%0.827SS**  trans-68.4131.9164.6-33.60000110.3
492A38.8Very low43.9Very low103 Ų103145.2 Ų145.285%0.85183%0.834SS**  trans-140.2129.1160.600000108.8
493E41.1Very low43.5Very low199 Ų199143.7 Ų143.793%0.9384%0.843SS**  trans-80.8154.4-178.3-65173.1143.200112.7
494G39.3Very low43.2Very low71 Ų71142.5 Ų142.573%0.73286%0.856SS**  8295.5127.100000120.2
495S34.8Very low43Very low204 Ų204139.5 Ų139.5100%1.42786%0.864SS**  -173.90117.9-74.30000110.2

Retrieved 495 of 495 residues in 227.7 ms (Link to these results)

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