A0A087WSJ9_MOUSE Loading...

Regulator of G-protein signaling 6

AlphaFold DB , UniProt , Accession A0A087WSJ9, Species MOUSE (Mus musculus, Mouse), Gene Rgs6, Length 435 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
1M33.2Very low31.4Very low225 Ų225144.1 Ų144.1100%1.10884%0.843SS**  0144.80-73.4-166.7-142.700108
2A29.4Very low31.4Very low95 Ų95137.1 Ų137.179%0.78582%0.824SS**  trans33.8117.7160.900000119.5G4A2-G4 PolarHBondContact O-N 3.47Å; A2-G4 VanDerWaalsContact O-N 3.12Å
3Q36.5Very low31.9Very low207 Ų207138.7 Ų138.797%0.96782%0.823SS**  trans-50.8111.3142.6-76.9174-2600108
4G27.3Very low32.5Very low62 Ų62133.8 Ų133.864%0.63981%0.806SS**  trans-112.5118.7165.400000107.5A2A2-G4 PolarHBondContact O-N 3.47Å; A2-G4 VanDerWaalsContact O-N 3.12Å
5S27.3Very low33.2Very low112 Ų112131.1 Ų131.178%0.78379%0.785SS**  trans2.212215847.50000116.6D7S5-D7 PolarHBondContact O-N 3.29Å
6G35.1Very low34.3Very low81 Ų81129.6 Ų129.684%0.83578%0.78SS**  trans-60107.1168.100000111
7D25.5Very low35.1Very low142 Ų142128.6 Ų128.676%0.75977%0.765SS**  trans-102.4107.5149.7-91.8-24.2000106.7S5 R9S5-D7 PolarHBondContact O-N 3.29Å; D7-R9 PolarHBondContact O-N 2.85Å
8Q33.2Very low36.1Very low201 Ų201130.5 Ų130.594%0.93977%0.765SS**  trans-60.188.4154.1-75176.111.100106.6A10Q8-A10 VanDerWaalsContact C-N 3.3Å; Q8-A10 PolarHBondContact O-N 3.04Å
9R29.7Very low37.6Very low231 Ų231125.6 Ų125.687%0.87274%0.738SS**  trans-64.3102.9159.6-85.2-173.4176.7-179.2-1.1105.9D7 V11D7-R9 PolarHBondContact O-N 2.85Å; R9-V11 PolarHBondContact O-N 3.2Å
10A29.7Very low39.2Very low88 Ų88120.5 Ų120.573%0.72771%0.709SS**  trans-39.8135.1158.200000108.1Q8 G12Q8-A10 VanDerWaalsContact C-N 3.3Å; Q8-A10 PolarHBondContact O-N 3.04Å; A10-G12 PolarHBondContact O-N 2.78Å
11V38.7Very low40.9Very low141 Ų141116.7 Ų116.786%0.85569%0.688SS**  trans-56.890.9171.2177.80000106.5R9 I13R9-V11 PolarHBondContact O-N 3.2Å; V11-I13 PolarHBondContact O-N 2.81Å; V11-I13 VanDerWaalsContact O-N 3.14Å
12G30.7Very low43.4Very low60 Ų60107.2 Ų107.262%0.61964%0.642SS**  trans-62.5116.3169.800000105.3A10 A14A10-G12 PolarHBondContact O-N 2.78Å; G12-A14 PolarHBondContact O-N 3.5Å
13I37.9Very low46.2Very low158 Ų158104.5 Ų104.581%0.8161%0.613SS**  trans-59.195.4165.5-61.2171.6000104.4V11 D15V11-I13 PolarHBondContact O-N 2.81Å; V11-I13 VanDerWaalsContact O-N 3.14Å; I13-D15 PolarHBondContact O-N 3.33Å
14A40.7Very low48.8Very low70 Ų70100.1 Ų100.158%0.57960%0.596SS**  trans-54.5138.3171.500000107.3G12 P16G12-A14 PolarHBondContact O-N 3.5Å; A14-P16 WeakPolarHBondContact O-CD 3.46Å; A14-P16 VanDerWaalsContact O-N 3.13Å
15D43.1Very low51.9Low93 Ų93100.7 Ų100.750%0.49759%0.587SS.*  trans-50.3122.8176.7-166-26.5000108.5I13 E17 E18I13-D15 PolarHBondContact O-N 3.33Å; D15-E17 PolarHBondContact O-N 3.13Å; D15-E17 PolarHBondContact OD1-N 3.48Å; D15-E18 PolarHBondContact O-N 2.99Å
16P50Low55.1Low108 Ų10896.3 Ų96.370%0.70155%0.553SS**THydrogen-bonded Turntrans-52.8-20.8177.9-25.933000113.3A14A14-P16 WeakPolarHBondContact O-CD 3.46Å; A14-P16 VanDerWaalsContact O-N 3.13Å
17E48.7Very low58Low112 Ų11295.1 Ų95.152%0.52353%0.531SS..THydrogen-bonded Turntrans-77.7-18.3177.5-62.5-156.2169.900114.7D15 K230D15-E17 PolarHBondContact O-N 3.13Å; D15-E17 PolarHBondContact OD1-N 3.48Å; E17-K230 VanDerWaalsContact CD-NZ 3.29Å; E17-K230 WeakPolarHBondContact OE1-CE 3.28Å; E17-K230 IonicContact OE1-NZ 2.8Å; E17-K230 PolarHBondContact OE1-NZ 3.13Å; E17-K230 IonicContact OE2-NZ 2.71Å; E17-K230 PolarHBondContact OE2-NZ 3.28Å
18E53.7Low61.4Low163 Ų16394.7 Ų94.776%0.76252%0.523SS*.THydrogen-bonded Turntrans-102-6.7178.5-73.6-169160.200114.1D15D15-E18 PolarHBondContact O-N 2.99Å
19S63.2Low64.4Low38 Ų3886 Ų8627%0.26648%0.482SS..SBendtrans-75.1140-174.5-164.90000112.5M23S19-M23 WeakPolarHBondContact OG-CB 3.38Å; S19-M23 WeakPolarHBondContact OG-CG 3.46Å
20S70.3Confident67.7Low23 Ų2376.3 Ų76.316%0.16145%0.447CS..  trans-48.4137.2171.31720000110.3N22 M23S20-N22 PolarHBondContact O-N 2.58Å; S20-N22 PolarHBondContact OG-N 2.81Å; S20-M23 VanDerWaalsContact O-CB 3.26Å; S20-M23 WeakPolarHBondContact O-CB 3.01Å; S20-M23 PolarHBondContact O-N 3.05Å
21P75.3Confident70.9Confident40 Ų4076.8 Ų76.826%0.2644%0.437SS..THydrogen-bonded Turntrans-58.6-13.1176.4-25.535.8000114.2M215 K219P21-M215 HydrophobicContact CB-SD 4.47Å; P21-M215 HydrophobicContact CG-SD 4.01Å; P21-K219 HydrophobicContact CB-CB 4.06Å; P21-K219 HydrophobicContact CB-CD 3.99Å; P21-K219 HydrophobicContact CB-CG 3.95Å; P21-K219 HydrophobicContact CG-CB 4.06Å; P21-K219 HydrophobicContact CG-CG 4.47Å
22N84.7Confident73.7Confident26 Ų2671.3 Ų71.314%0.13940%0.403CS..THydrogen-bonded Turntrans-99.7-2.9177.4-62.9-19000113.1S20 I24 V25 Y26 K219S20-N22 PolarHBondContact O-N 2.58Å; S20-N22 PolarHBondContact OG-N 2.81Å; N22-I24 VanDerWaalsContact C-N 3.31Å; N22-I24 PolarHBondContact O-N 3.14Å; N22-V25 WeakPolarHBondContact O-CA 3.46Å; N22-V25 WeakPolarHBondContact O-CB 3.41Å; N22-V25 PolarHBondContact O-N 3.48Å; N22-Y26 HydrophobicContact CB-CE1 4.27Å; N22-Y26 HydrophobicContact CB-CE2 3.88Å; N22-Y26 PolarHBondContact O-N 3.31Å; N22-K219 PolarHBondContact OD1-NZ 2.83Å
23M88.9Confident76.9Confident38 Ų3868.5 Ų68.519%0.18737%0.374CS..Hα-helixtrans-58.6-40.5-172.6-169.861.974.200113.1S19 S20 V25 Y26 C27 S121S19-M23 WeakPolarHBondContact OG-CB 3.38Å; S19-M23 WeakPolarHBondContact OG-CG 3.46Å; S20-M23 VanDerWaalsContact O-CB 3.26Å; S20-M23 WeakPolarHBondContact O-CB 3.01Å; S20-M23 PolarHBondContact O-N 3.05Å; M23-V25 PolarHBondContact O-N 3.3Å; M23-V25 VanDerWaalsContact O-N 3.16Å; M23-Y26 WeakPolarHBondContact O-CB 3.31Å; M23-Y26 PolarHBondContact O-N 2.94Å; M23-Y26 HydrophobicContact SD-CD2 4.15Å; M23-C27 PolarHBondContact O-N 3.3Å; M23-C27 PolarHBondContact O-SG 3.02Å; M23-C27 VanDerWaalsContact O-SG 3.33Å; M23-S121 WeakPolarHBondContact CE-O 3.35Å
24I91Very high79.7Confident116 Ų11664.9 Ų64.960%0.59536%0.359SS*.Hα-helixtrans-58.4-31.6176.8-169169.5000112.6N22 K28N22-I24 VanDerWaalsContact C-N 3.31Å; N22-I24 PolarHBondContact O-N 3.14Å; I24-K28 VanDerWaalsContact O-CG 3.27Å; I24-K28 WeakPolarHBondContact O-CG 3.26Å; I24-K28 PolarHBondContact O-N 3.48Å
25V93.3Very high82.3Confident74 Ų7467.4 Ų67.445%0.44836%0.357SS..Hα-helixtrans-73.8-44.6176.5-178.90000109.6N22 M23 K28 I29N22-V25 WeakPolarHBondContact O-CA 3.46Å; N22-V25 WeakPolarHBondContact O-CB 3.41Å; N22-V25 PolarHBondContact O-N 3.48Å; M23-V25 PolarHBondContact O-N 3.3Å; M23-V25 VanDerWaalsContact O-N 3.16Å; V25-K28 PolarHBondContact O-N 2.86Å; V25-I29 HydrophobicContact CG1-CD1 3.97Å; V25-I29 WeakPolarHBondContact O-CG1 3.41Å; V25-I29 PolarHBondContact O-N 2.95Å
26Y94.5Very high84.9Confident20 Ų2063 Ų638%0.07833%0.333CS..Hα-helixtrans-58.7-50.3176.8-57.6-31000111.8N22 M23 K28 I29 E30 Y93 P120N22-Y26 HydrophobicContact CB-CE1 4.27Å; N22-Y26 HydrophobicContact CB-CE2 3.88Å; N22-Y26 PolarHBondContact O-N 3.31Å; M23-Y26 WeakPolarHBondContact O-CB 3.31Å; M23-Y26 PolarHBondContact O-N 2.94Å; M23-Y26 HydrophobicContact SD-CD2 4.15Å; Y26-K28 VanDerWaalsContact C-N 3.29Å; Y26-K28 PolarHBondContact O-N 3.07Å; Y26-I29 PolarHBondContact O-N 3.33Å; Y26-I29 VanDerWaalsContact O-N 3.07Å; Y26-E30 WeakPolarHBondContact O-CB 3.44Å; Y26-E30 VanDerWaalsContact O-CG 3.24Å; Y26-E30 WeakPolarHBondContact O-CG 3.44Å; Y26-E30 PolarHBondContact O-N 2.83Å; Y26-Y93 WeakPolarHBondContact CB-OH 3.35Å; Y26-P120 HydrophobicContact CD1-CB 4.15Å; Y26-P120 HydrophobicContact CD2-CB 4.49Å; Y26-P120 HydrophobicContact CE1-CB 3.87Å; Y26-P120 HydrophobicContact CE2-CB 4.2Å; Y26-P120 HydrophobicContact CG-CB 4.48Å
27C95.1Very high87.1Confident56 Ų5661.3 Ų61.338%0.37832%0.316SS..Hα-helixtrans-56.7-42.3177.4-61.90000112.2M23 I29 E30 D31M23-C27 PolarHBondContact O-N 3.3Å; M23-C27 PolarHBondContact O-SG 3.02Å; M23-C27 VanDerWaalsContact O-SG 3.33Å; C27-I29 PolarHBondContact O-N 3.36Å; C27-E30 PolarHBondContact O-N 2.92Å; C27-D31 VanDerWaalsContact O-CG 3.28Å; C27-D31 PolarHBondContact O-N 3.11Å
28K96.4Very high89.1Confident133 Ų13358.6 Ų58.658%0.57831%0.305SS*.Hα-helixtrans-65-38.9177.3-74.9178.8179-1680112.9I24 V25 Y26 I32I24-K28 VanDerWaalsContact O-CG 3.27Å; I24-K28 WeakPolarHBondContact O-CG 3.26Å; I24-K28 PolarHBondContact O-N 3.48Å; V25-K28 PolarHBondContact O-N 2.86Å; Y26-K28 VanDerWaalsContact C-N 3.29Å; Y26-K28 PolarHBondContact O-N 3.07Å; K28-I32 WeakPolarHBondContact O-CG1 3.41Å; K28-I32 PolarHBondContact O-N 3.21Å
29I97.8Very high90.6Very high18 Ų1857 Ų579%0.09230%0.302CS..Hα-helixtrans-67.3-42.8175.3-65.3167.6000109.7V25 Y26 C27 D31 I32 I33 I88 Q91 Y93V25-I29 HydrophobicContact CG1-CD1 3.97Å; V25-I29 WeakPolarHBondContact O-CG1 3.41Å; V25-I29 PolarHBondContact O-N 2.95Å; Y26-I29 PolarHBondContact O-N 3.33Å; Y26-I29 VanDerWaalsContact O-N 3.07Å; C27-I29 PolarHBondContact O-N 3.36Å; I29-D31 VanDerWaalsContact C-N 3.33Å; I29-D31 PolarHBondContact O-N 2.66Å; I29-I32 WeakPolarHBondContact O-CA 3.19Å; I29-I32 WeakPolarHBondContact O-CB 3.26Å; I29-I32 PolarHBondContact O-N 3.1Å; I29-I33 HydrophobicContact CG2-CG1 4.05Å; I29-I33 VanDerWaalsContact O-CG1 3.29Å; I29-I33 WeakPolarHBondContact O-CG1 3.46Å; I29-I33 PolarHBondContact O-N 3.25Å; I29-I88 HydrophobicContact CG2-CB 4.47Å; I29-I88 HydrophobicContact CG2-CG1 4.02Å; I29-I88 HydrophobicContact CG2-CG2 4.03Å; I29-Q91 HydrophobicContact CD1-CG 4.26Å; I29-Y93 HydrophobicContact CB-CD2 4.32Å; I29-Y93 HydrophobicContact CB-CE2 3.98Å; I29-Y93 HydrophobicContact CD1-CE2 4.14Å; I29-Y93 HydrophobicContact CG2-CD1 4.31Å; I29-Y93 HydrophobicContact CG2-CD2 3.34Å; I29-Y93 HydrophobicContact CG2-CE1 4.46Å; I29-Y93 HydrophobicContact CG2-CE2 3.5Å; I29-Y93 HydrophobicContact CG2-CG 3.76Å
30E97.4Very high91.5Very high28 Ų2864.7 Ų64.713%0.13133%0.331CS..Hα-helixtrans-63.9-36.9-179.8-71.8169.9-160.400112.7Y26 C27 I32 I33 T34 Y93 W119 S121Y26-E30 WeakPolarHBondContact O-CB 3.44Å; Y26-E30 VanDerWaalsContact O-CG 3.24Å; Y26-E30 WeakPolarHBondContact O-CG 3.44Å; Y26-E30 PolarHBondContact O-N 2.83Å; C27-E30 PolarHBondContact O-N 2.92Å; E30-I32 VanDerWaalsContact C-N 3.31Å; E30-I32 PolarHBondContact O-N 2.71Å; E30-I33 PolarHBondContact O-N 3.02Å; E30-T34 WeakPolarHBondContact O-CB 3.33Å; E30-T34 PolarHBondContact O-N 2.83Å; E30-T34 PolarHBondContact O-OG1 3.13Å; E30-Y93 HydrophobicContact CG-CD1 4.26Å; E30-Y93 HydrophobicContact CG-CE1 3.33Å; E30-Y93 PolarHBondContact OE1-OH 3.21Å; E30-W119 HydrophobicContact CB-CE3 4.31Å; E30-W119 HydrophobicContact CB-CH2 4.36Å; E30-W119 HydrophobicContact CB-CZ3 3.83Å; E30-W119 HydrophobicContact CG-CD2 4.14Å; E30-W119 HydrophobicContact CG-CE3 3.45Å; E30-W119 VanDerWaalsContact CG-CE3 3.45Å; E30-W119 HydrophobicContact CG-CH2 4.19Å; E30-W119 HydrophobicContact CG-CZ3 3.48Å; E30-W119 VanDerWaalsContact CG-CZ3 3.48Å; E30-S121 WeakPolarHBondContact OE1-CB 3.48Å; E30-S121 PolarHBondContact OE1-OG 3.32Å; E30-S121 PolarHBondContact OE2-OG 3.42Å
31D96.9Very high92Very high97 Ų9768 Ų6852%0.51935%0.35SS..Hα-helixtrans-60.6-41.3171.1-73.8-19.7000111.5C27 I29 K35C27-D31 VanDerWaalsContact O-CG 3.28Å; C27-D31 PolarHBondContact O-N 3.11Å; I29-D31 VanDerWaalsContact C-N 3.33Å; I29-D31 PolarHBondContact O-N 2.66Å; D31-K35 VanDerWaalsContact O-CG 3.3Å; D31-K35 WeakPolarHBondContact O-CG 3.39Å; D31-K35 PolarHBondContact O-N 3.33Å
32I97.7Very high92.6Very high27 Ų2768.4 Ų68.414%0.13836%0.362CS..Hα-helixtrans-65.4-48.2175.6-66.4167.3000109.9K28 I29 E30 T34 K35 M36 W68 L69 L73 I88K28-I32 WeakPolarHBondContact O-CG1 3.41Å; K28-I32 PolarHBondContact O-N 3.21Å; I29-I32 WeakPolarHBondContact O-CA 3.19Å; I29-I32 WeakPolarHBondContact O-CB 3.26Å; I29-I32 PolarHBondContact O-N 3.1Å; E30-I32 VanDerWaalsContact C-N 3.31Å; E30-I32 PolarHBondContact O-N 2.71Å; I32-T34 VanDerWaalsContact C-N 3.29Å; I32-T34 PolarHBondContact O-N 3.14Å; I32-K35 PolarHBondContact O-N 3.25Å; I32-M36 HydrophobicContact CG2-CE 3.81Å; I32-M36 HydrophobicContact CG2-CG 4.39Å; I32-M36 HydrophobicContact CG2-SD 4.22Å; I32-M36 WeakPolarHBondContact O-CG 3.35Å; I32-M36 PolarHBondContact O-N 2.98Å; I32-W68 HydrophobicContact CG2-CH2 4.41Å; I32-W68 HydrophobicContact CG2-CZ3 3.95Å; I32-L69 HydrophobicContact CG2-CD2 4.26Å; I32-L73 HydrophobicContact CD1-CD1 4.18Å; I32-I88 HydrophobicContact CG2-CD1 4.31Å
33I98Very high93.1Very high0 Ų067.9 Ų67.90%036%0.362CS..Hα-helixtrans-61.9-37.1-179.5-68.3-67.1000112.1I29 E30 M36 Q37 I88 Y93 I94 F113 W119I29-I33 HydrophobicContact CG2-CG1 4.05Å; I29-I33 VanDerWaalsContact O-CG1 3.29Å; I29-I33 WeakPolarHBondContact O-CG1 3.46Å; I29-I33 PolarHBondContact O-N 3.25Å; E30-I33 PolarHBondContact O-N 3.02Å; I33-M36 HydrophobicContact CD1-SD 4.2Å; I33-M36 PolarHBondContact O-N 3.41Å; I33-Q37 VanDerWaalsContact CG2-NE2 3.27Å; I33-Q37 WeakPolarHBondContact O-CG 3.46Å; I33-Q37 PolarHBondContact O-N 3.3Å; I33-Q37 PolarHBondContact O-NE2 2.78Å; I33-I88 HydrophobicContact CD1-CG2 3.72Å; I33-I88 HydrophobicContact CG1-CG2 4.4Å; I33-Y93 HydrophobicContact CG1-CD1 4.18Å; I33-Y93 HydrophobicContact CG1-CG 4.14Å; I33-I94 HydrophobicContact CD1-CD1 3.64Å; I33-I94 HydrophobicContact CD1-CG1 3.59Å; I33-F113 HydrophobicContact CD1-CD1 4.31Å; I33-F113 HydrophobicContact CD1-CE1 4.3Å; I33-F113 HydrophobicContact CG2-CD1 4.36Å; I33-W119 HydrophobicContact CG2-CH2 4.32Å; I33-W119 HydrophobicContact CG2-CZ2 3.77Å
34T96.3Very high93.4Very high82 Ų8266.1 Ų66.150%0.50335%0.353SS..Hα-helixtrans-65.8-44.7176.7-59.20000110.4E30 I32 Q37 D38E30-T34 WeakPolarHBondContact O-CB 3.33Å; E30-T34 PolarHBondContact O-N 2.83Å; E30-T34 PolarHBondContact O-OG1 3.13Å; I32-T34 VanDerWaalsContact C-N 3.29Å; I32-T34 PolarHBondContact O-N 3.14Å; T34-Q37 PolarHBondContact O-N 2.63Å; T34-D38 PolarHBondContact O-N 3.3Å
35K96.7Very high93.6Very high123 Ų12363 Ų6354%0.53534%0.34SS..Hα-helixtrans-66.2-36.1175.6-67.4172.7-170.7178.20112.6D31 I32 Q37 D38 W68D31-K35 VanDerWaalsContact O-CG 3.3Å; D31-K35 WeakPolarHBondContact O-CG 3.39Å; D31-K35 PolarHBondContact O-N 3.33Å; I32-K35 PolarHBondContact O-N 3.25Å; K35-Q37 PolarHBondContact O-N 2.84Å; K35-D38 PolarHBondContact O-N 2.98Å; K35-W68 HydrophobicContact CB-CH2 3.76Å; K35-W68 HydrophobicContact CB-CZ2 3.73Å
36M97.4Very high93.6Very high0 Ų063 Ų630%034%0.337CS..Hα-helixtrans-62.4-29.3175.2-77.1-179.117000112.8I32 I33 G43 V44 I65 W68 L69 I94 F113I32-M36 HydrophobicContact CG2-CE 3.81Å; I32-M36 HydrophobicContact CG2-CG 4.39Å; I32-M36 HydrophobicContact CG2-SD 4.22Å; I32-M36 WeakPolarHBondContact O-CG 3.35Å; I32-M36 PolarHBondContact O-N 2.98Å; I33-M36 HydrophobicContact CD1-SD 4.2Å; I33-M36 PolarHBondContact O-N 3.41Å; M36-G43 CarbonylContact O-C 3.43Å; M36-G43 VanDerWaalsContact O-CA 3.31Å; M36-G43 WeakPolarHBondContact O-CA 3.25Å; M36-V44 HydrophobicContact CB-CG2 4.09Å; M36-V44 HydrophobicContact CG-CG2 4.11Å; M36-V44 PolarHBondContact O-N 3.32Å; M36-I65 HydrophobicContact CE-CG2 3.83Å; M36-I65 HydrophobicContact SD-CG2 4.36Å; M36-W68 HydrophobicContact CE-CD2 4.43Å; M36-W68 HydrophobicContact CE-CE3 3.46Å; M36-W68 VanDerWaalsContact CE-CE3 3.46Å; M36-W68 HydrophobicContact CE-CZ3 3.66Å; M36-W68 HydrophobicContact CG-CD2 3.79Å; M36-W68 HydrophobicContact CG-CE3 3.47Å; M36-W68 VanDerWaalsContact CG-CE3 3.47Å; M36-W68 HydrophobicContact CG-CH2 3.7Å; M36-W68 HydrophobicContact CG-CZ2 3.98Å; M36-W68 HydrophobicContact CG-CZ3 3.44Å; M36-W68 VanDerWaalsContact CG-CZ3 3.44Å; M36-W68 HydrophobicContact SD-CE3 4.35Å; M36-W68 HydrophobicContact SD-CZ3 4.42Å; M36-L69 HydrophobicContact CE-CD1 4.14Å; M36-L69 HydrophobicContact CE-CD2 3.25Å; M36-L69 HydrophobicContact CE-CG 3.48Å; M36-L69 VanDerWaalsContact CE-CG 3.48Å; M36-I94 HydrophobicContact SD-CD1 3.95Å; M36-F113 HydrophobicContact CB-CE1 3.97Å; M36-F113 HydrophobicContact CB-CZ 3.9Å; M36-F113 HydrophobicContact SD-CE1 4.15Å
37Q95.1Very high93.5Very high74 Ų7468.7 Ų68.735%0.34636%0.359SS..THydrogen-bonded Turntrans-95.70.5-179.2-70.6176.995.900113.4I33 T34 K35 D39 F113I33-Q37 VanDerWaalsContact CG2-NE2 3.27Å; I33-Q37 WeakPolarHBondContact O-CG 3.46Å; I33-Q37 PolarHBondContact O-N 3.3Å; I33-Q37 PolarHBondContact O-NE2 2.78Å; T34-Q37 PolarHBondContact O-N 2.63Å; K35-Q37 PolarHBondContact O-N 2.84Å; Q37-D39 PolarHBondContact O-N 2.91Å; Q37-F113 HydrophobicContact CG-CD1 3.99Å; Q37-F113 HydrophobicContact CG-CD2 3.58Å; Q37-F113 HydrophobicContact CG-CE1 4.07Å; Q37-F113 HydrophobicContact CG-CE2 3.66Å; Q37-F113 HydrophobicContact CG-CG 3.76Å; Q37-F113 HydrophobicContact CG-CZ 3.91Å
38D92.4Very high93.5Very high54 Ų5469.4 Ų69.429%0.28936%0.361SS..  trans-86.5100.8-178.9-17913000111.5T34 K35 K40 T41 G43T34-D38 PolarHBondContact O-N 3.3Å; K35-D38 PolarHBondContact O-N 2.98Å; D38-K40 PolarHBondContact O-N 3.36Å; D38-K40 VanDerWaalsContact O-N 3.14Å; D38-K40 WeakPolarHBondContact OD1-CB 3.25Å; D38-K40 PolarHBondContact OD1-N 3.46Å; D38-T41 WeakPolarHBondContact CB-OG1 3.25Å; D38-T41 PolarHBondContact O-N 3.22Å; D38-T41 WeakPolarHBondContact OD2-CB 3.4Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.49Å; D38-T41 PolarHBondContact OD2-OG1 3.11Å; D38-G43 WeakPolarHBondContact O-CA 3.24Å; D38-G43 PolarHBondContact O-N 3.18Å
39D83.4Confident93.3Very high130 Ų13065.3 Ų65.370%0.69535%0.347SS*.THydrogen-bonded Turntrans-59.3-23.7177.3-69.4-22.9000113Q37Q37-D39 PolarHBondContact O-N 2.91Å
40K84.1Confident92.9Very high200 Ų20072 Ų7287%0.8738%0.375SS*.THydrogen-bonded Turntrans-79.9-32.5-177.1-61.7179.8-179176.10112.9D38D38-K40 PolarHBondContact O-N 3.36Å; D38-K40 VanDerWaalsContact O-N 3.14Å; D38-K40 WeakPolarHBondContact OD1-CB 3.25Å; D38-K40 PolarHBondContact OD1-N 3.46Å
41T79.7Confident92.5Very high92 Ų9273.9 Ų73.956%0.56439%0.392SS*.THydrogen-bonded Turntrans-98.19.7-176.854.10000113.1D38D38-T41 WeakPolarHBondContact CB-OG1 3.25Å; D38-T41 PolarHBondContact O-N 3.22Å; D38-T41 WeakPolarHBondContact OD2-CB 3.4Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.49Å; D38-T41 PolarHBondContact OD2-OG1 3.11Å
42G88.6Confident91.8Very high49 Ų4979 Ų7951%0.50541%0.41SS..THydrogen-bonded Turntrans80.844.1-179.100000112.6W68G42-W68 PolarHBondContact O-NE1 3.46Å; G42-W68 VanDerWaalsContact O-NE1 3.14Å
43G93.9Very high91Very high14 Ų1485.2 Ų85.214%0.14444%0.442CS..  trans-55.4177.2168.400000114.1M36 D38M36-G43 CarbonylContact O-C 3.43Å; M36-G43 VanDerWaalsContact O-CA 3.31Å; M36-G43 WeakPolarHBondContact O-CA 3.25Å; D38-G43 WeakPolarHBondContact O-CA 3.24Å; D38-G43 PolarHBondContact O-N 3.18Å
44V96.4Very high90.3Very high1 Ų187.4 Ų87.41%0.00646%0.458CS..  trans-70.6129.6178-175.20000109M36 I46 V60 D64 I65 W68 F113M36-V44 HydrophobicContact CB-CG2 4.09Å; M36-V44 HydrophobicContact CG-CG2 4.11Å; M36-V44 PolarHBondContact O-N 3.32Å; V44-I46 PolarHBondContact O-N 3.33Å; V44-V60 HydrophobicContact CB-CG1 4.35Å; V44-V60 HydrophobicContact CG1-CB 3.78Å; V44-V60 HydrophobicContact CG1-CG1 3.67Å; V44-D64 HydrophobicContact CG1-CB 3.76Å; V44-I65 HydrophobicContact CG1-CG1 4.07Å; V44-W68 HydrophobicContact CG2-CB 3.68Å; V44-W68 HydrophobicContact CG2-CD2 4.21Å; V44-W68 HydrophobicContact CG2-CG 3.62Å; V44-F113 HydrophobicContact CB-CZ 4.43Å
45P93.8Very high89.9Confident50 Ų5089.2 Ų89.233%0.32546%0.459SS..  trans-68.4107-174.727.1-35.6000112.1D64P45-D64 HydrophobicContact CG-CB 4.3Å
46I94.9Very high89.5Confident74 Ų7485.3 Ų85.338%0.37944%0.444SS..  trans-79.7122.2175.4-57.8171.3000109.7V44 V60 F113V44-I46 PolarHBondContact O-N 3.33Å; I46-V60 HydrophobicContact CB-CG1 4.31Å; I46-V60 HydrophobicContact CG1-CG1 3.72Å; I46-F113 HydrophobicContact CD1-CD2 4.1Å; I46-F113 HydrophobicContact CD1-CE2 4.06Å; I46-F113 HydrophobicContact CG1-CD2 4.45Å; I46-F113 HydrophobicContact CG1-CE2 4.1Å
47R92.6Very high89.3Confident141 Ų14186 Ų8653%0.53245%0.448SS..EExtended strand (participates in β ladder)trans-123.8158.6-173.3-59.6-179.1-169.6177.67.1112.7S58 V59R47-S58 PolarHBondContact O-N 3.06Å; R47-S58 VanDerWaalsContact O-N 3.11Å; R47-V59 PolarHBondContact N-O 2.92Å; R47-V59 PolarHBondContact O-N 3.32Å
48T93.6Very high89.2Confident70 Ų7085.3 Ų85.343%0.42945%0.451SS..EExtended strand (participates in β ladder)trans-105111.9163.6-66.10000109K55 I56 P57T48-K55 HydrophobicContact CG2-CD 4.3Å; T48-K55 HydrophobicContact CG2-CG 3.79Å; T48-I56 CarbonylContact C-O 3.58Å; T48-I56 WeakPolarHBondContact CA-O 3.33Å; T48-P57 HydrophobicContact CG2-CB 4.19Å
49V91.9Very high89.3Confident47 Ų4782.9 Ų82.929%0.28544%0.438SS..EExtended strand (participates in β ladder)trans-88.7127.1-179.6-177.90000109.3K55 I56 V59 F110V49-K55 WeakPolarHBondContact O-CA 3.38Å; V49-I56 PolarHBondContact N-O 2.91Å; V49-I56 PolarHBondContact O-N 2.97Å; V49-V59 HydrophobicContact CB-CG2 4.49Å; V49-V59 HydrophobicContact CG2-CG2 3.73Å; V49-F110 HydrophobicContact CB-CZ 4.28Å; V49-F110 HydrophobicContact CG1-CE2 4.43Å; V49-F110 HydrophobicContact CG1-CZ 3.98Å; V49-F110 HydrophobicContact CG2-CE1 3.73Å; V49-F110 HydrophobicContact CG2-CZ 3.79Å
50K91.1Very high90Very high158 Ų15876.8 Ų76.869%0.68741%0.406SS*.EExtended strand (participates in β ladder)trans-112.8130.1176.8-67.6177.7-177.5174.40109.1K55K50-K55 HydrophobicContact CG-CG 4.09Å
51S87.3Confident90.7Very high68 Ų6868.7 Ų68.748%0.47637%0.373SS..  trans-124.4174.7168.675.40000109.4L53 S54S51-L53 PolarHBondContact O-N 3.48Å; S51-L53 PolarHBondContact OG-N 3.27Å; S51-S54 PolarHBondContact N-O 2.72Å; S51-S54 PolarHBondContact OG-N 3.35Å; S51-S54 PolarHBondContact OG-O 2.9Å; S51-S54 PolarHBondContact OG-OG 2.78Å
52F83.9Confident91.5Very high204 Ų20464.3 Ų64.390%0.89535%0.346SS*.SBendtrans-57.5-36.1177.5-177.3-108.4000113
53L79.9Confident92Very high158 Ų15864.3 Ų64.383%0.82734%0.336SS*.SBendtrans-104.5-15.7-175.1-64.2175.1000113.9S51S51-L53 PolarHBondContact O-N 3.48Å; S51-L53 PolarHBondContact OG-N 3.27Å
54S82.4Confident92.2Very high47 Ų4765.7 Ų65.733%0.32934%0.34SS..  trans-147.3144.2-170.772.90000113.7S51S51-S54 PolarHBondContact N-O 2.72Å; S51-S54 PolarHBondContact OG-N 3.35Å; S51-S54 PolarHBondContact OG-O 2.9Å; S51-S54 PolarHBondContact OG-OG 2.78Å
55K88.3Confident92.3Very high119 Ų11965.6 Ų65.652%0.51734%0.34SS..EExtended strand (participates in β ladder)trans-115.9117.7164.8-179179.4178.4-170.70107.3T48 V49 K50T48-K55 HydrophobicContact CG2-CD 4.3Å; T48-K55 HydrophobicContact CG2-CG 3.79Å; V49-K55 WeakPolarHBondContact O-CA 3.38Å; K50-K55 HydrophobicContact CG-CG 4.09Å
56I89.4Confident92.5Very high42 Ų4263.2 Ų63.222%0.21533%0.325CS..EExtended strand (participates in β ladder)trans-113.9101.1-178.3-50179.8000107.8T48 V49 V59 I97T48-I56 CarbonylContact C-O 3.58Å; T48-I56 WeakPolarHBondContact CA-O 3.33Å; V49-I56 PolarHBondContact N-O 2.91Å; V49-I56 PolarHBondContact O-N 2.97Å; I56-V59 HydrophobicContact CG2-CG1 3.56Å; I56-V59 HydrophobicContact CG2-CG2 4.48Å; I56-I97 HydrophobicContact CD1-CD1 4.19Å; I56-I97 HydrophobicContact CG2-CD1 3.69Å
57P92.8Very high92.6Very high15 Ų1564.6 Ų64.610%0.09733%0.33CS..EExtended strand (participates in β ladder)trans-85.4156.8-176.928.5-25.3000112.1T48 R112 T187 I191T48-P57 HydrophobicContact CG2-CB 4.19Å; P57-R112 PolarHBondContact O-NH1 2.67Å; P57-R112 PolarHBondContact O-NH2 3.29Å; P57-T187 HydrophobicContact CB-CG2 4.28Å; P57-T187 HydrophobicContact CG-CG2 3.41Å; P57-T187 VanDerWaalsContact CG-CG2 3.41Å; P57-I191 HydrophobicContact CG-CD1 4.26Å
58S92.4Very high92.9Very high58 Ų5858.8 Ų58.841%0.40631%0.308SS..EExtended strand (participates in β ladder)trans54.156.3170.9-470000113.4R47 R112R47-S58 PolarHBondContact O-N 3.06Å; R47-S58 VanDerWaalsContact O-N 3.11Å; S58-R112 WeakPolarHBondContact O-CG 3.35Å; S58-R112 PolarHBondContact O-NH1 3.16Å
59V95.8Very high93.1Very high3 Ų355.4 Ų55.42%0.01829%0.287CS..EExtended strand (participates in β ladder)trans-121.4152.8176.2-66.80000111.3R47 V49 I56 I97 F110 Y111 R112R47-V59 PolarHBondContact N-O 2.92Å; R47-V59 PolarHBondContact O-N 3.32Å; V49-V59 HydrophobicContact CB-CG2 4.49Å; V49-V59 HydrophobicContact CG2-CG2 3.73Å; I56-V59 HydrophobicContact CG2-CG1 3.56Å; I56-V59 HydrophobicContact CG2-CG2 4.48Å; V59-I97 HydrophobicContact CG1-CD1 4.18Å; V59-I97 HydrophobicContact CG1-CG2 4.23Å; V59-F110 HydrophobicContact CB-CB 4.18Å; V59-F110 HydrophobicContact CB-CD1 4.18Å; V59-F110 HydrophobicContact CB-CG 4.38Å; V59-F110 HydrophobicContact CG1-CB 4.28Å; V59-F110 HydrophobicContact CG2-CD1 3.86Å; V59-F110 HydrophobicContact CG2-CE1 4.33Å; V59-F110 HydrophobicContact CG2-CG 4.27Å; V59-Y111 WeakPolarHBondContact CA-O 3.31Å; V59-R112 HydrophobicContact CG1-CG 4.24Å
60V97.4Very high93.4Very high3 Ų354.8 Ų54.82%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-121.9154.6171.1-660000108.7V44 I46 I65 F110 Y111 F113V44-V60 HydrophobicContact CB-CG1 4.35Å; V44-V60 HydrophobicContact CG1-CB 3.78Å; V44-V60 HydrophobicContact CG1-CG1 3.67Å; I46-V60 HydrophobicContact CB-CG1 4.31Å; I46-V60 HydrophobicContact CG1-CG1 3.72Å; V60-I65 HydrophobicContact CB-CG1 4.46Å; V60-I65 HydrophobicContact CG2-CD1 3.66Å; V60-I65 HydrophobicContact CG2-CG1 3.96Å; V60-F110 WeakPolarHBondContact O-CA 3.5Å; V60-Y111 PolarHBondContact N-O 2.91Å; V60-Y111 PolarHBondContact O-N 3.49Å; V60-F113 HydrophobicContact CG1-CE2 3.92Å; V60-F113 HydrophobicContact CG2-CE2 4.34Å
61T97.9Very high93.7Very high29 Ų2955.4 Ų55.418%0.17828%0.284CS..EExtended strand (participates in β ladder)trans-89.8153.4175.669.90000111.1T63 D64 I65 T109 F110T61-T63 VanDerWaalsContact C-N 3.32Å; T61-T63 PolarHBondContact O-N 3.41Å; T61-D64 PolarHBondContact O-N 2.72Å; T61-D64 WeakPolarHBondContact OG1-CB 3.47Å; T61-D64 PolarHBondContact OG1-N 2.79Å; T61-D64 VanDerWaalsContact OG1-N 3.1Å; T61-D64 PolarHBondContact OG1-OD2 2.76Å; T61-I65 WeakPolarHBondContact O-CG1 3.47Å; T61-I65 PolarHBondContact O-N 3.5Å; T61-T109 CarbonylContact C-O 3.57Å; T61-T109 WeakPolarHBondContact CA-O 3.34Å; T61-F110 HydrophobicContact CG2-CD1 4.19Å; T61-F110 HydrophobicContact CG2-CE1 3.96Å
62G98.1Very high94.2Very high0 Ų055.5 Ų55.50%028%0.279CS..Hα-helixtrans-57.2-45.7174.400000112D64 I65 V66 K105 D107 T109G62-D64 PolarHBondContact O-N 3.25Å; G62-I65 PolarHBondContact O-N 3.46Å; G62-V66 WeakPolarHBondContact O-CG2 3.49Å; G62-V66 PolarHBondContact O-N 3.17Å; G62-K105 CarbonylContact C-O 3.55Å; G62-K105 VanDerWaalsContact CA-O 3.24Å; G62-K105 WeakPolarHBondContact CA-O 3.32Å; G62-D107 PolarHBondContact N-O 3.3Å; G62-T109 PolarHBondContact N-O 3.14Å
63T98.1Very high94.8Very high49 Ų4948.9 Ų48.930%0.30125%0.253SS..Hα-helixtrans-57.8-44.1174.5-60.30000113T61 I65 V66 Q67 D106 D107T61-T63 VanDerWaalsContact C-N 3.32Å; T61-T63 PolarHBondContact O-N 3.41Å; T63-I65 VanDerWaalsContact C-N 3.3Å; T63-I65 PolarHBondContact O-N 2.96Å; T63-V66 PolarHBondContact O-N 3Å; T63-Q67 HydrophobicContact CG2-CG 4.15Å; T63-Q67 WeakPolarHBondContact O-CB 3.46Å; T63-Q67 VanDerWaalsContact O-CG 3.26Å; T63-Q67 WeakPolarHBondContact O-CG 3.47Å; T63-Q67 PolarHBondContact O-N 2.84Å; T63-D106 VanDerWaalsContact CA-OD1 3.26Å; T63-D106 WeakPolarHBondContact CA-OD1 3.48Å; T63-D106 WeakPolarHBondContact CB-OD1 3.48Å; T63-D106 PolarHBondContact OG1-OD1 3.2Å; T63-D107 PolarHBondContact N-O 2.91Å; T63-D107 WeakPolarHBondContact OG1-CA 3.28Å; T63-D107 PolarHBondContact OG1-N 3Å; T63-D107 PolarHBondContact OG1-O 3.34Å
64D97.9Very high95.6Very high43 Ų4346.3 Ų46.323%0.2325%0.248CC..Hα-helixtrans-61.6-38.7178.3-67.9-43.6000111.8V44 P45 T61 G62 W68V44-D64 HydrophobicContact CG1-CB 3.76Å; P45-D64 HydrophobicContact CG-CB 4.3Å; T61-D64 PolarHBondContact O-N 2.72Å; T61-D64 WeakPolarHBondContact OG1-CB 3.47Å; T61-D64 PolarHBondContact OG1-N 2.79Å; T61-D64 VanDerWaalsContact OG1-N 3.1Å; T61-D64 PolarHBondContact OG1-OD2 2.76Å; G62-D64 PolarHBondContact O-N 3.25Å; D64-W68 VanDerWaalsContact O-CB 3.31Å; D64-W68 WeakPolarHBondContact O-CB 3.32Å; D64-W68 PolarHBondContact O-N 3.03Å; D64-W68 VanDerWaalsContact O-N 3.08Å
65I98.3Very high96.3Very high0 Ų045 Ų450%024%0.237CC..Hα-helixtrans-68.4-46.7177.5-59.9162.6000111M36 V44 V60 T61 G62 T63 Q67 W68 L69 I94 M104 Y111M36-I65 HydrophobicContact CE-CG2 3.83Å; M36-I65 HydrophobicContact SD-CG2 4.36Å; V44-I65 HydrophobicContact CG1-CG1 4.07Å; V60-I65 HydrophobicContact CB-CG1 4.46Å; V60-I65 HydrophobicContact CG2-CD1 3.66Å; V60-I65 HydrophobicContact CG2-CG1 3.96Å; T61-I65 WeakPolarHBondContact O-CG1 3.47Å; T61-I65 PolarHBondContact O-N 3.5Å; G62-I65 PolarHBondContact O-N 3.46Å; T63-I65 VanDerWaalsContact C-N 3.3Å; T63-I65 PolarHBondContact O-N 2.96Å; I65-Q67 PolarHBondContact O-N 3.19Å; I65-W68 PolarHBondContact O-N 2.96Å; I65-L69 HydrophobicContact CG2-CD1 4.1Å; I65-L69 HydrophobicContact CG2-CG 4.42Å; I65-L69 WeakPolarHBondContact O-CG 3.17Å; I65-L69 PolarHBondContact O-N 3.21Å; I65-I94 HydrophobicContact CD1-CD1 4.39Å; I65-I94 HydrophobicContact CD1-CG2 4Å; I65-I94 HydrophobicContact CG2-CD1 4.39Å; I65-M104 HydrophobicContact CB-CE 4.21Å; I65-M104 HydrophobicContact CB-SD 4.12Å; I65-M104 HydrophobicContact CD1-CE 4.16Å; I65-M104 HydrophobicContact CD1-SD 3.82Å; I65-M104 HydrophobicContact CG2-CE 3.5Å; I65-M104 VanDerWaalsContact CG2-CE 3.5Å; I65-M104 HydrophobicContact CG2-SD 4.08Å; I65-Y111 HydrophobicContact CD1-CD2 4.22Å; I65-Y111 HydrophobicContact CD1-CG 4.11Å
66V98.4Very high96.7Very high0 Ų048.1 Ų48.10%025%0.254CS..Hα-helixtrans-61.6-46.2-178.8172.10000110.6G62 T63 W68 L69 M70 A81 I82 M104 D106G62-V66 WeakPolarHBondContact O-CG2 3.49Å; G62-V66 PolarHBondContact O-N 3.17Å; T63-V66 PolarHBondContact O-N 3Å; V66-W68 VanDerWaalsContact C-N 3.31Å; V66-W68 PolarHBondContact O-N 3.4Å; V66-L69 WeakPolarHBondContact O-CB 3.39Å; V66-L69 PolarHBondContact O-N 2.91Å; V66-M70 HydrophobicContact CG1-SD 4.35Å; V66-M70 WeakPolarHBondContact O-CG 3.4Å; V66-M70 PolarHBondContact O-N 3.22Å; V66-A81 HydrophobicContact CG1-CB 4.12Å; V66-I82 HydrophobicContact CG1-CG1 4.05Å; V66-I82 HydrophobicContact CG2-CG1 3.91Å; V66-M104 HydrophobicContact CG2-CG 4.04Å; V66-D106 HydrophobicContact CG1-CB 4.43Å; V66-D106 HydrophobicContact CG2-CB 4.14Å
67Q98Very high97.1Very high103 Ų10349.9 Ų49.948%0.48126%0.264SS..Hα-helixtrans-62.9-38.1176.5-67.9-57.7-42.700112.2T63 I65 K71T63-Q67 HydrophobicContact CG2-CG 4.15Å; T63-Q67 WeakPolarHBondContact O-CB 3.46Å; T63-Q67 VanDerWaalsContact O-CG 3.26Å; T63-Q67 WeakPolarHBondContact O-CG 3.47Å; T63-Q67 PolarHBondContact O-N 2.84Å; I65-Q67 PolarHBondContact O-N 3.19Å; Q67-K71 WeakPolarHBondContact O-CB 3.45Å; Q67-K71 PolarHBondContact O-N 3.03Å
68W98Very high97.3Very high18 Ų1851.8 Ų51.87%0.06828%0.276CS..Hα-helixtrans-64.1-43.4175-172.499.8000111.8I32 K35 M36 G42 V44 D64 I65 V66 K71 N72I32-W68 HydrophobicContact CG2-CH2 4.41Å; I32-W68 HydrophobicContact CG2-CZ3 3.95Å; K35-W68 HydrophobicContact CB-CH2 3.76Å; K35-W68 HydrophobicContact CB-CZ2 3.73Å; M36-W68 HydrophobicContact CE-CD2 4.43Å; M36-W68 HydrophobicContact CE-CE3 3.46Å; M36-W68 VanDerWaalsContact CE-CE3 3.46Å; M36-W68 HydrophobicContact CE-CZ3 3.66Å; M36-W68 HydrophobicContact CG-CD2 3.79Å; M36-W68 HydrophobicContact CG-CE3 3.47Å; M36-W68 VanDerWaalsContact CG-CE3 3.47Å; M36-W68 HydrophobicContact CG-CH2 3.7Å; M36-W68 HydrophobicContact CG-CZ2 3.98Å; M36-W68 HydrophobicContact CG-CZ3 3.44Å; M36-W68 VanDerWaalsContact CG-CZ3 3.44Å; M36-W68 HydrophobicContact SD-CE3 4.35Å; M36-W68 HydrophobicContact SD-CZ3 4.42Å; G42-W68 PolarHBondContact O-NE1 3.46Å; G42-W68 VanDerWaalsContact O-NE1 3.14Å; V44-W68 HydrophobicContact CG2-CB 3.68Å; V44-W68 HydrophobicContact CG2-CD2 4.21Å; V44-W68 HydrophobicContact CG2-CG 3.62Å; D64-W68 VanDerWaalsContact O-CB 3.31Å; D64-W68 WeakPolarHBondContact O-CB 3.32Å; D64-W68 PolarHBondContact O-N 3.03Å; D64-W68 VanDerWaalsContact O-N 3.08Å; I65-W68 PolarHBondContact O-N 2.96Å; V66-W68 VanDerWaalsContact C-N 3.31Å; V66-W68 PolarHBondContact O-N 3.4Å; W68-K71 PolarHBondContact O-N 2.78Å; W68-N72 VanDerWaalsContact CD1-ND2 3.33Å; W68-N72 HydrophobicContact CD2-CB 4.2Å; W68-N72 VanDerWaalsContact CD2-ND2 3.34Å; W68-N72 HydrophobicContact CE3-CB 4.16Å; W68-N72 HydrophobicContact CH2-CB 3.94Å; W68-N72 HydrophobicContact CZ2-CB 3.97Å; W68-N72 HydrophobicContact CZ3-CB 4.02Å; W68-N72 PolarHBondContact NE1-ND2 3.05Å; W68-N72 WeakPolarHBondContact O-CB 3.31Å; W68-N72 PolarHBondContact O-N 3.08Å; W68-N72 PolarHBondContact O-ND2 3.41Å
69L98.3Very high97.6Very high0 Ų053.7 Ų53.70%029%0.285CS..Hα-helixtrans-60.8-49.2176.9-76.2169.5000111.2I32 M36 I65 V66 K71 L73 A81 L84 I88I32-L69 HydrophobicContact CG2-CD2 4.26Å; M36-L69 HydrophobicContact CE-CD1 4.14Å; M36-L69 HydrophobicContact CE-CD2 3.25Å; M36-L69 HydrophobicContact CE-CG 3.48Å; M36-L69 VanDerWaalsContact CE-CG 3.48Å; I65-L69 HydrophobicContact CG2-CD1 4.1Å; I65-L69 HydrophobicContact CG2-CG 4.42Å; I65-L69 WeakPolarHBondContact O-CG 3.17Å; I65-L69 PolarHBondContact O-N 3.21Å; V66-L69 WeakPolarHBondContact O-CB 3.39Å; V66-L69 PolarHBondContact O-N 2.91Å; L69-K71 VanDerWaalsContact C-N 3.35Å; L69-K71 PolarHBondContact O-N 2.88Å; L69-L73 HydrophobicContact CD2-CD1 3.62Å; L69-L73 HydrophobicContact CD2-CG 4.46Å; L69-L73 VanDerWaalsContact O-CB 3.28Å; L69-L73 WeakPolarHBondContact O-CB 3.37Å; L69-L73 PolarHBondContact O-N 2.93Å; L69-A81 HydrophobicContact CB-CB 4.24Å; L69-A81 WeakPolarHBondContact CD1-O 3.43Å; L69-L84 HydrophobicContact CD2-CD2 4.2Å; L69-I88 HydrophobicContact CD2-CD1 4.46Å
70M98.2Very high97.7Very high34 Ų3459 Ų5917%0.16731%0.309CS..Hα-helixtrans-55.6-49.9178-70.4-176.575.500112V66 S74 I75 P78 A81V66-M70 HydrophobicContact CG1-SD 4.35Å; V66-M70 WeakPolarHBondContact O-CG 3.4Å; V66-M70 PolarHBondContact O-N 3.22Å; M70-S74 WeakPolarHBondContact O-CA 3.37Å; M70-S74 PolarHBondContact O-N 3.26Å; M70-S74 VanDerWaalsContact O-N 3.13Å; M70-I75 PolarHBondContact O-N 3.4Å; M70-P78 HydrophobicContact CE-CB 4.35Å; M70-P78 HydrophobicContact CE-CG 3.77Å; M70-P78 HydrophobicContact SD-CB 4.12Å; M70-P78 HydrophobicContact SD-CG 4.12Å; M70-A81 HydrophobicContact CG-CB 3.51Å; M70-A81 HydrophobicContact SD-CB 4.5Å
71K97Very high97.8Very high170 Ų17058.8 Ų58.874%0.73931%0.308SS*.Hα-helixtrans-67.2-50.5-178.3-176.7-177.3175.8-172.90112.9Q67 W68 L69Q67-K71 WeakPolarHBondContact O-CB 3.45Å; Q67-K71 PolarHBondContact O-N 3.03Å; W68-K71 PolarHBondContact O-N 2.78Å; L69-K71 VanDerWaalsContact C-N 3.35Å; L69-K71 PolarHBondContact O-N 2.88Å
72N96.8Very high97.8Very high71 Ų7159.7 Ų59.738%0.3831%0.312SS..Hα-helixtrans-84.8-20.8-168.6-69.5-83.1000113.5W68W68-N72 VanDerWaalsContact CD1-ND2 3.33Å; W68-N72 HydrophobicContact CD2-CB 4.2Å; W68-N72 VanDerWaalsContact CD2-ND2 3.34Å; W68-N72 HydrophobicContact CE3-CB 4.16Å; W68-N72 HydrophobicContact CH2-CB 3.94Å; W68-N72 HydrophobicContact CZ2-CB 3.97Å; W68-N72 HydrophobicContact CZ3-CB 4.02Å; W68-N72 PolarHBondContact NE1-ND2 3.05Å; W68-N72 WeakPolarHBondContact O-CB 3.31Å; W68-N72 PolarHBondContact O-N 3.08Å; W68-N72 PolarHBondContact O-ND2 3.41Å
73L96.6Very high97.8Very high64 Ų6465.3 Ų65.334%0.33534%0.337SS..Hα-helixtrans-105.94.2175.8-53.8-177.6000112.8I32 L69 I75 L84I32-L73 HydrophobicContact CD1-CD1 4.18Å; L69-L73 HydrophobicContact CD2-CD1 3.62Å; L69-L73 HydrophobicContact CD2-CG 4.46Å; L69-L73 VanDerWaalsContact O-CB 3.28Å; L69-L73 WeakPolarHBondContact O-CB 3.37Å; L69-L73 PolarHBondContact O-N 2.93Å; L73-I75 VanDerWaalsContact C-N 3.3Å; L73-I75 HydrophobicContact CB-CD1 3.95Å; L73-I75 HydrophobicContact CB-CG1 3.97Å; L73-I75 HydrophobicContact CD1-CD1 4.24Å; L73-I75 PolarHBondContact O-N 3.23Å; L73-L84 HydrophobicContact CD1-CD2 3.57Å
74S97.1Very high97.8Very high105 Ų10565.3 Ų65.373%0.73434%0.336SS*.THydrogen-bonded Turntrans55.442.5-178.4-52.90000112.9M70M70-S74 WeakPolarHBondContact O-CA 3.37Å; M70-S74 PolarHBondContact O-N 3.26Å; M70-S74 VanDerWaalsContact O-N 3.13Å
75I97.9Very high97.9Very high18 Ų1863.3 Ų63.39%0.09233%0.325CS..  trans-88119177.3-58.8166.6000108.3M70 L73 D77 E80 A81 L84M70-I75 PolarHBondContact O-N 3.4Å; L73-I75 VanDerWaalsContact C-N 3.3Å; L73-I75 HydrophobicContact CB-CD1 3.95Å; L73-I75 HydrophobicContact CB-CG1 3.97Å; L73-I75 HydrophobicContact CD1-CD1 4.24Å; L73-I75 PolarHBondContact O-N 3.23Å; I75-D77 VanDerWaalsContact CG2-O 3.28Å; I75-D77 WeakPolarHBondContact CG2-O 3.45Å; I75-E80 HydrophobicContact CG2-CB 3.71Å; I75-E80 HydrophobicContact CG2-CG 3.82Å; I75-A81 HydrophobicContact CD1-CB 4.26Å; I75-A81 HydrophobicContact CG2-CB 4.11Å; I75-L84 HydrophobicContact CD1-CD2 3.98Å
76E96.9Very high97.9Very high185 Ų18564.5 Ų64.586%0.86433%0.333SS*.  trans-80.9-37.2-178.7-64.4-177.6178.800112.5P78E76-P78 WeakPolarHBondContact O-CD 3.32Å
77D97.3Very high97.9Very high80 Ų8068.6 Ų68.643%0.42836%0.355SS..  trans-90.4117.6-178.3-175.8-0.5000111.2I75 V79 E80 A81I75-D77 VanDerWaalsContact CG2-O 3.28Å; I75-D77 WeakPolarHBondContact CG2-O 3.45Å; D77-V79 PolarHBondContact O-N 3.39Å; D77-V79 VanDerWaalsContact O-N 3.16Å; D77-V79 WeakPolarHBondContact OD1-CB 3.48Å; D77-V79 PolarHBondContact OD1-N 3.15Å; D77-E80 HydrophobicContact CB-CB 4.22Å; D77-E80 WeakPolarHBondContact O-CB 3.25Å; D77-E80 PolarHBondContact O-N 3.11Å; D77-E80 VanDerWaalsContact O-N 3.08Å; D77-A81 PolarHBondContact O-N 2.91Å
78P97.1Very high97.9Very high55 Ų5563.8 Ų63.836%0.35733%0.332SS..Hα-helixtrans-54.7-32.5174.4-23.632.4000113.4M70 E76 E80 A81 I82M70-P78 HydrophobicContact CE-CB 4.35Å; M70-P78 HydrophobicContact CE-CG 3.77Å; M70-P78 HydrophobicContact SD-CB 4.12Å; M70-P78 HydrophobicContact SD-CG 4.12Å; E76-P78 WeakPolarHBondContact O-CD 3.32Å; P78-E80 VanDerWaalsContact C-N 3.32Å; P78-E80 PolarHBondContact O-N 2.94Å; P78-A81 PolarHBondContact O-N 3.05Å; P78-I82 WeakPolarHBondContact O-CD1 3.42Å; P78-I82 VanDerWaalsContact O-CG1 3.25Å; P78-I82 WeakPolarHBondContact O-CG1 3.47Å; P78-I82 PolarHBondContact O-N 2.71Å
79V98.1Very high97.9Very high98 Ų9862.9 Ų62.959%0.59433%0.329SS*.Hα-helixtrans-65.3-38.3179.8-178.80000111D77 H83D77-V79 PolarHBondContact O-N 3.39Å; D77-V79 VanDerWaalsContact O-N 3.16Å; D77-V79 WeakPolarHBondContact OD1-CB 3.48Å; D77-V79 PolarHBondContact OD1-N 3.15Å; V79-H83 VanDerWaalsContact O-CB 3.28Å; V79-H83 WeakPolarHBondContact O-CB 3.39Å; V79-H83 PolarHBondContact O-N 3.33Å
80E98.4Very high97.9Very high113 Ų11364.1 Ų64.153%0.52834%0.339SS..Hα-helixtrans-65.3-42174.8179.6176.7-166.900111.2I75 D77 P78 H83 L84I75-E80 HydrophobicContact CG2-CB 3.71Å; I75-E80 HydrophobicContact CG2-CG 3.82Å; D77-E80 HydrophobicContact CB-CB 4.22Å; D77-E80 WeakPolarHBondContact O-CB 3.25Å; D77-E80 PolarHBondContact O-N 3.11Å; D77-E80 VanDerWaalsContact O-N 3.08Å; P78-E80 VanDerWaalsContact C-N 3.32Å; P78-E80 PolarHBondContact O-N 2.94Å; E80-H83 PolarHBondContact O-N 3.27Å; E80-L84 WeakPolarHBondContact O-CB 3.49Å; E80-L84 PolarHBondContact O-N 3.24Å
81A98.4Very high97.8Very high0 Ų064.3 Ų64.30%034%0.339CS..Hα-helixtrans-65.5-42.4177.700000112.3V66 L69 M70 I75 D77 P78 H83 L84 G85V66-A81 HydrophobicContact CG1-CB 4.12Å; L69-A81 HydrophobicContact CB-CB 4.24Å; L69-A81 WeakPolarHBondContact CD1-O 3.43Å; M70-A81 HydrophobicContact CG-CB 3.51Å; M70-A81 HydrophobicContact SD-CB 4.5Å; I75-A81 HydrophobicContact CD1-CB 4.26Å; I75-A81 HydrophobicContact CG2-CB 4.11Å; D77-A81 PolarHBondContact O-N 2.91Å; P78-A81 PolarHBondContact O-N 3.05Å; A81-H83 VanDerWaalsContact C-N 3.33Å; A81-L84 PolarHBondContact O-N 3.23Å; A81-G85 PolarHBondContact O-N 2.95Å
82I98.5Very high97.8Very high48 Ų4856.3 Ų56.325%0.24631%0.305CS..Hα-helixtrans-63.4-41.1174.4-66.6162.9000110.6V66 P78 G85 S86 D106V66-I82 HydrophobicContact CG1-CG1 4.05Å; V66-I82 HydrophobicContact CG2-CG1 3.91Å; P78-I82 WeakPolarHBondContact O-CD1 3.42Å; P78-I82 VanDerWaalsContact O-CG1 3.25Å; P78-I82 WeakPolarHBondContact O-CG1 3.47Å; P78-I82 PolarHBondContact O-N 2.71Å; I82-G85 PolarHBondContact O-N 2.78Å; I82-S86 WeakPolarHBondContact O-CB 3.28Å; I82-S86 PolarHBondContact O-N 2.67Å; I82-S86 PolarHBondContact O-OG 3.07Å; I82-D106 HydrophobicContact CD1-CB 3.67Å; I82-D106 HydrophobicContact CG1-CB 3.96Å
83H98.6Very high97.9Very high117 Ų11753 Ų5354%0.54229%0.287SS..Hα-helixtrans-63.4-50.4177.6-177.465.3000111.5V79 E80 A81 G85 S86 L87V79-H83 VanDerWaalsContact O-CB 3.28Å; V79-H83 WeakPolarHBondContact O-CB 3.39Å; V79-H83 PolarHBondContact O-N 3.33Å; E80-H83 PolarHBondContact O-N 3.27Å; A81-H83 VanDerWaalsContact C-N 3.33Å; H83-G85 VanDerWaalsContact C-N 3.34Å; H83-G85 PolarHBondContact O-N 3.34Å; H83-S86 WeakPolarHBondContact O-CB 3.44Å; H83-S86 PolarHBondContact O-N 3.17Å; H83-S86 VanDerWaalsContact O-N 3.14Å; H83-L87 WeakPolarHBondContact O-CG 3.34Å; H83-L87 PolarHBondContact O-N 2.91Å
84L98.6Very high98Very high50 Ų5049.9 Ų49.926%0.26227%0.271SS..Hα-helixtrans-59.3-45.5176.1177.459.9000111.3L69 L73 I75 E80 A81 S86 L87 I88L69-L84 HydrophobicContact CD2-CD2 4.2Å; L73-L84 HydrophobicContact CD1-CD2 3.57Å; I75-L84 HydrophobicContact CD1-CD2 3.98Å; E80-L84 WeakPolarHBondContact O-CB 3.49Å; E80-L84 PolarHBondContact O-N 3.24Å; A81-L84 PolarHBondContact O-N 3.23Å; L84-S86 VanDerWaalsContact C-N 3.3Å; L84-S86 PolarHBondContact O-N 3.02Å; L84-L87 PolarHBondContact O-N 3.47Å; L84-I88 HydrophobicContact CD1-CD1 4.33Å; L84-I88 HydrophobicContact CD1-CG1 4.46Å; L84-I88 HydrophobicContact CG-CD1 4.14Å; L84-I88 WeakPolarHBondContact O-CG1 3.34Å; L84-I88 PolarHBondContact O-N 2.83Å
85G98.5Very high98.1Very high0 Ų044.9 Ų44.90%024%0.236CC..Hα-helixtrans-57.5-42.7174.600000112.5A81 I82 H83 L87 I88 A89 M104A81-G85 PolarHBondContact O-N 2.95Å; I82-G85 PolarHBondContact O-N 2.78Å; H83-G85 VanDerWaalsContact C-N 3.34Å; H83-G85 PolarHBondContact O-N 3.34Å; G85-L87 VanDerWaalsContact C-N 3.35Å; G85-L87 PolarHBondContact O-N 2.75Å; G85-I88 PolarHBondContact O-N 2.96Å; G85-A89 WeakPolarHBondContact O-CB 3.35Å; G85-A89 PolarHBondContact O-N 3.06Å; G85-M104 WeakPolarHBondContact O-CE 3.43Å
86S98.5Very high98.1Very high25 Ų2544.2 Ų44.218%0.17523%0.233CC..Hα-helixtrans-65.5-37.2177.2-63.30000112.1I82 H83 L84 A89 A90 M104I82-S86 WeakPolarHBondContact O-CB 3.28Å; I82-S86 PolarHBondContact O-N 2.67Å; I82-S86 PolarHBondContact O-OG 3.07Å; H83-S86 WeakPolarHBondContact O-CB 3.44Å; H83-S86 PolarHBondContact O-N 3.17Å; H83-S86 VanDerWaalsContact O-N 3.14Å; L84-S86 VanDerWaalsContact C-N 3.3Å; L84-S86 PolarHBondContact O-N 3.02Å; S86-A89 PolarHBondContact O-N 3.05Å; S86-A90 WeakPolarHBondContact O-CB 3.48Å; S86-A90 PolarHBondContact O-N 2.95Å; S86-M104 WeakPolarHBondContact OG-CB 3.38Å; S86-M104 PolarHBondContact OG-N 3.34Å
87L98.3Very high98Very high87 Ų8737.1 Ų37.146%0.45520%0.201SC..Hα-helixtrans-65.9-42.7173.9-68.7175.7000111.8H83 L84 G85 A89 A90 Q91H83-L87 WeakPolarHBondContact O-CG 3.34Å; H83-L87 PolarHBondContact O-N 2.91Å; L84-L87 PolarHBondContact O-N 3.47Å; G85-L87 VanDerWaalsContact C-N 3.35Å; G85-L87 PolarHBondContact O-N 2.75Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 2.77Å; L87-A90 PolarHBondContact O-N 3.27Å; L87-Q91 VanDerWaalsContact O-CG 3.28Å; L87-Q91 WeakPolarHBondContact O-CG 3.46Å; L87-Q91 PolarHBondContact O-N 3.46Å
88I98.3Very high97.8Very high1 Ų138.2 Ų38.21%0.00521%0.214CC..Hα-helixtrans-60.2-41.1174.5-68.3171.1000110.4I29 I32 I33 L69 L84 G85 Q91 G92 Y93 I94I29-I88 HydrophobicContact CG2-CB 4.47Å; I29-I88 HydrophobicContact CG2-CG1 4.02Å; I29-I88 HydrophobicContact CG2-CG2 4.03Å; I32-I88 HydrophobicContact CG2-CD1 4.31Å; I33-I88 HydrophobicContact CD1-CG2 3.72Å; I33-I88 HydrophobicContact CG1-CG2 4.4Å; L69-I88 HydrophobicContact CD2-CD1 4.46Å; L84-I88 HydrophobicContact CD1-CD1 4.33Å; L84-I88 HydrophobicContact CD1-CG1 4.46Å; L84-I88 HydrophobicContact CG-CD1 4.14Å; L84-I88 WeakPolarHBondContact O-CG1 3.34Å; L84-I88 PolarHBondContact O-N 2.83Å; G85-I88 PolarHBondContact O-N 2.96Å; I88-Q91 PolarHBondContact O-N 3.35Å; I88-G92 PolarHBondContact O-N 3.05Å; I88-Y93 PolarHBondContact O-N 2.65Å; I88-I94 HydrophobicContact CG2-CD1 4Å; I88-I94 HydrophobicContact CG2-CG1 4.12Å
89A98.4Very high97.7Very high0 Ų038.4 Ų38.40%021%0.212CC..Hα-helixtrans-67.1-44.7177.200000112.5G85 S86 L87 Q91 G92 I94G85-A89 WeakPolarHBondContact O-CB 3.35Å; G85-A89 PolarHBondContact O-N 3.06Å; S86-A89 PolarHBondContact O-N 3.05Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 2.77Å; A89-Q91 PolarHBondContact O-N 2.83Å; A89-G92 WeakPolarHBondContact O-CA 3.39Å; A89-G92 PolarHBondContact O-N 3.02Å; A89-I94 WeakPolarHBondContact CA-O 3.46Å; A89-I94 WeakPolarHBondContact CB-O 3.26Å
90A97.8Very high97.6Very high25 Ų2535.5 Ų35.521%0.20719%0.192CC..Hα-helixtrans-64.1-23.5177.600000113.5S86 L87 G92 T212S86-A90 WeakPolarHBondContact O-CB 3.48Å; S86-A90 PolarHBondContact O-N 2.95Å; L87-A90 PolarHBondContact O-N 3.27Å; A90-G92 VanDerWaalsContact C-N 3.28Å; A90-T212 HydrophobicContact CB-CG2 3.87Å; A90-T212 WeakPolarHBondContact O-CG2 3.47Å; A90-T212 PolarHBondContact O-OG1 3.12Å
91Q96.9Very high97.6Very high38 Ų3832.3 Ų32.318%0.17818%0.181CC..THydrogen-bonded Turntrans-83.2-2.5170.4-65.5-68.3-16.600112.8I29 L87 I88 A89 Y93 P120I29-Q91 HydrophobicContact CD1-CG 4.26Å; L87-Q91 VanDerWaalsContact O-CG 3.28Å; L87-Q91 WeakPolarHBondContact O-CG 3.46Å; L87-Q91 PolarHBondContact O-N 3.46Å; I88-Q91 PolarHBondContact O-N 3.35Å; A89-Q91 PolarHBondContact O-N 2.83Å; Q91-Y93 HydrophobicContact CB-CD2 3.78Å; Q91-Y93 HydrophobicContact CB-CE2 3.87Å; Q91-P120 WeakPolarHBondContact O-CG 3.5Å
92G97.8Very high97.6Very high3 Ų333.1 Ų33.13%0.03119%0.185CC..THydrogen-bonded Turntrans86.39.8172.700000116I88 A89 A90 Q114 V202I88-G92 PolarHBondContact O-N 3.05Å; A89-G92 WeakPolarHBondContact O-CA 3.39Å; A89-G92 PolarHBondContact O-N 3.02Å; A90-G92 VanDerWaalsContact C-N 3.28Å; G92-Q114 WeakPolarHBondContact O-CB 3.48Å; G92-Q114 VanDerWaalsContact O-CG 3.23Å; G92-Q114 WeakPolarHBondContact O-CG 3.48Å; G92-V202 VanDerWaalsContact CA-CG2 3.45Å
93Y98.6Very high97.5Very high0 Ų033.4 Ų33.40%019%0.189CC..SBendtrans-78.7-29.4178.8-69.2-80.8000113.2Y26 I29 E30 I33 I88 Q91 Q114 W119 P120Y26-Y93 WeakPolarHBondContact CB-OH 3.35Å; I29-Y93 HydrophobicContact CB-CD2 4.32Å; I29-Y93 HydrophobicContact CB-CE2 3.98Å; I29-Y93 HydrophobicContact CD1-CE2 4.14Å; I29-Y93 HydrophobicContact CG2-CD1 4.31Å; I29-Y93 HydrophobicContact CG2-CD2 3.34Å; I29-Y93 HydrophobicContact CG2-CE1 4.46Å; I29-Y93 HydrophobicContact CG2-CE2 3.5Å; I29-Y93 HydrophobicContact CG2-CG 3.76Å; E30-Y93 HydrophobicContact CG-CD1 4.26Å; E30-Y93 HydrophobicContact CG-CE1 3.33Å; E30-Y93 PolarHBondContact OE1-OH 3.21Å; I33-Y93 HydrophobicContact CG1-CD1 4.18Å; I33-Y93 HydrophobicContact CG1-CG 4.14Å; I88-Y93 PolarHBondContact O-N 2.65Å; Q91-Y93 HydrophobicContact CB-CD2 3.78Å; Q91-Y93 HydrophobicContact CB-CE2 3.87Å; Y93-Q114 WeakPolarHBondContact O-CB 3.46Å; Y93-Q114 PolarHBondContact O-N 2.96Å; Y93-W119 AromaticContact CD1-CD1 3.74Å; Y93-W119 AromaticContact CD1-CD2 3.96Å; Y93-W119 HydrophobicContact CD1-CD2 3.96Å; Y93-W119 AromaticContact CD1-CE2 3.87Å; Y93-W119 AromaticContact CD1-CG 3.88Å; Y93-W119 HydrophobicContact CD1-CG 3.88Å; Y93-W119 AromaticContact CD1-NE1 3.75Å; Y93-W119 HydrophobicContact CE1-CB 3.92Å; Y93-W119 AromaticContact CE1-CD1 3.92Å; Y93-W119 AromaticContact CE1-CD2 3.67Å; Y93-W119 HydrophobicContact CE1-CD2 3.67Å; Y93-W119 HydrophobicContact CE1-CE3 4.17Å; Y93-W119 AromaticContact CE1-CG 3.57Å; Y93-W119 HydrophobicContact CE1-CG 3.57Å; Y93-P120 HydrophobicContact CE2-CG 4.16Å
94I98.3Very high97.5Very high0 Ų028.2 Ų28.20%017%0.165CC..EExtended strand (participates in β ladder)trans-135.2139.7176.7-55.5176.7000107.2I33 M36 I65 I88 A89 Y111 R112 F113I33-I94 HydrophobicContact CD1-CD1 3.64Å; I33-I94 HydrophobicContact CD1-CG1 3.59Å; M36-I94 HydrophobicContact SD-CD1 3.95Å; I65-I94 HydrophobicContact CD1-CD1 4.39Å; I65-I94 HydrophobicContact CD1-CG2 4Å; I65-I94 HydrophobicContact CG2-CD1 4.39Å; I88-I94 HydrophobicContact CG2-CD1 4Å; I88-I94 HydrophobicContact CG2-CG1 4.12Å; A89-I94 WeakPolarHBondContact CA-O 3.46Å; A89-I94 WeakPolarHBondContact CB-O 3.26Å; I94-Y111 HydrophobicContact CG2-CD1 3.93Å; I94-Y111 HydrophobicContact CG2-CG 4.14Å; I94-R112 WeakPolarHBondContact CA-O 3.4Å; I94-F113 HydrophobicContact CD1-CD1 4.17Å; I94-F113 HydrophobicContact CD1-CE1 3.76Å; I94-F113 HydrophobicContact CG1-CD1 3.79Å; I94-F113 HydrophobicContact CG1-CE1 3.92Å
95F98.6Very high97.4Very high0 Ų030 Ų300%017%0.17CC..EExtended strand (participates in β ladder)trans-141.6142.6-178.957.7-90.2000112.6L102 Y111 R112 Q114 S194 Q195 A198F95-L102 HydrophobicContact CB-CD2 3.75Å; F95-Y111 CarbonylContact O-C 3.5Å; F95-Y111 VanDerWaalsContact O-CA 3.26Å; F95-Y111 WeakPolarHBondContact O-CA 3.28Å; F95-R112 WeakPolarHBondContact CD1-O 3.46Å; F95-R112 HydrophobicContact CD2-CB 4.36Å; F95-R112 HydrophobicContact CE1-CB 3.97Å; F95-R112 HydrophobicContact CE2-CB 3.78Å; F95-R112 HydrophobicContact CE2-CG 4.41Å; F95-R112 HydrophobicContact CZ-CB 3.56Å; F95-R112 HydrophobicContact CZ-CG 4.42Å; F95-R112 PolarHBondContact N-O 2.99Å; F95-R112 PolarHBondContact O-N 2.92Å; F95-Q114 HydrophobicContact CD1-CB 4.24Å; F95-Q114 HydrophobicContact CE1-CB 4.1Å; F95-S194 WeakPolarHBondContact CE2-O 3.38Å; F95-Q195 HydrophobicContact CE1-CG 4.23Å; F95-Q195 HydrophobicContact CZ-CB 4.45Å; F95-Q195 HydrophobicContact CZ-CG 3.85Å; F95-A198 HydrophobicContact CB-CB 3.63Å; F95-A198 HydrophobicContact CD1-CB 3.37Å; F95-A198 HydrophobicContact CD2-CB 3.55Å; F95-A198 HydrophobicContact CE1-CB 3.8Å; F95-A198 HydrophobicContact CE2-CB 3.96Å; F95-A198 HydrophobicContact CG-CB 3.22Å; F95-A198 HydrophobicContact CZ-CB 4.07Å
96P97.9Very high97.4Very high3 Ų333 Ų332%0.01919%0.187CC..EExtended strand (participates in β ladder)trans-67.5137.3173.727.5-31.8000109.5S98 D99 V101 T109 Y111 R197P96-S98 VanDerWaalsContact C-N 3.3Å; P96-S98 PolarHBondContact O-N 3.28Å; P96-D99 HydrophobicContact CB-CB 4.28Å; P96-D99 HydrophobicContact CG-CB 4.09Å; P96-V101 WeakPolarHBondContact CG-O 3.5Å; P96-T109 HydrophobicContact CB-CG2 4.43Å; P96-Y111 HydrophobicContact CB-CD1 4.07Å; P96-Y111 HydrophobicContact CB-CE1 3.73Å; P96-Y111 HydrophobicContact CG-CE1 4.2Å; P96-R197 PolarHBondContact O-NH2 3.02Å
97I95.4Very high97.3Very high37 Ų3735 Ų3519%0.1920%0.196CC..THydrogen-bonded Turntrans-75.9-20.2-174.866.3174.8000113.6I56 V59 F110 R112 R197I56-I97 HydrophobicContact CD1-CD1 4.19Å; I56-I97 HydrophobicContact CG2-CD1 3.69Å; V59-I97 HydrophobicContact CG1-CD1 4.18Å; V59-I97 HydrophobicContact CG1-CG2 4.23Å; I97-F110 HydrophobicContact CD1-CB 3.51Å; I97-F110 HydrophobicContact CD1-CD2 4.23Å; I97-F110 HydrophobicContact CD1-CG 4.26Å; I97-F110 HydrophobicContact CG1-CB 3.84Å; I97-F110 PolarHBondContact N-O 3.44Å; I97-R112 HydrophobicContact CG2-CB 4.36Å; I97-R112 HydrophobicContact CG2-CG 3.59Å; I97-R197 PolarHBondContact O-NH2 2.7Å
98S91.9Very high97.3Very high102 Ų10233.5 Ų33.571%0.71320%0.201SC*.THydrogen-bonded Turntrans-116.34.1-169.354.50000114.3P96P96-S98 VanDerWaalsContact C-N 3.3Å; P96-S98 PolarHBondContact O-N 3.28Å
99D95Very high97.2Very high59 Ų5934.8 Ų34.832%0.31621%0.209SC..  trans-139.1147.7-176.5-158.9-23.7000109.9P96 V101 R197P96-D99 HydrophobicContact CB-CB 4.28Å; P96-D99 HydrophobicContact CG-CB 4.09Å; D99-V101 PolarHBondContact OD1-N 3.47Å; D99-R197 PolarHBondContact O-NH1 3.09Å; D99-R197 PolarHBondContact O-NH2 2.93Å
100H97.3Very high97.2Very high38 Ų3837.5 Ų37.518%0.17622%0.221CC..SBendtrans-85-19.2172.7-76.6-85.6000112.1L102 Y151 E152 D201 V206H100-L102 PolarHBondContact O-N 2.96Å; H100-Y151 PolarHBondContact ND1-OH 3.29Å; H100-E152 IonicContact CE1-OE1 2.63Å; H100-E152 IonicContact CE1-OE2 2.72Å; H100-E152 IonicContact NE2-OE2 2.98Å; H100-D201 IonicContact CE1-OD1 2.84Å; H100-D201 IonicContact CG-OD1 3.2Å; H100-D201 IonicContact ND1-OD1 3.69Å; H100-D201 PolarHBondContact ND1-OD1 2.9Å; H100-D201 IonicContact ND1-OD2 3.93Å; H100-V206 HydrophobicContact CB-CG2 3.55Å
101V97.8Very high97.2Very high46 Ų4636.4 Ų36.428%0.27921%0.211SC..SBendtrans-80.9110.2177.4-1790000110.1P96 D99 T103 V206P96-V101 WeakPolarHBondContact CG-O 3.5Å; D99-V101 PolarHBondContact OD1-N 3.47Å; V101-T103 VanDerWaalsContact C-N 3.34Å; V101-T103 HydrophobicContact CG1-CG2 3.8Å; V101-T103 PolarHBondContact O-N 3.48Å; V101-V206 HydrophobicContact CG2-CB 4.46Å; V101-V206 HydrophobicContact CG2-CG2 4.2Å
102L98.1Very high97.3Very high16 Ų1635.4 Ų35.48%0.08421%0.206CC..  trans-76.278.5-177.1-58.9-177.6000112.2F95 H100 D201 V202F95-L102 HydrophobicContact CB-CD2 3.75Å; H100-L102 PolarHBondContact O-N 2.96Å; L102-D201 HydrophobicContact CD1-CB 3.9Å; L102-D201 HydrophobicContact CD2-CB 4.03Å; L102-D201 HydrophobicContact CG-CB 3.94Å; L102-V202 HydrophobicContact CD1-CB 4.48Å; L102-V202 HydrophobicContact CD1-CG2 3.49Å; L102-V202 VanDerWaalsContact CD1-CG2 3.49Å
103T97.5Very high97.3Very high54 Ų5436.2 Ų36.233%0.33121%0.208SC..  trans-134.5153179.454.90000111.9V101 Y111V101-T103 VanDerWaalsContact C-N 3.34Å; V101-T103 HydrophobicContact CG1-CG2 3.8Å; V101-T103 PolarHBondContact O-N 3.48Å; T103-Y111 VanDerWaalsContact O-CE1 3.25Å; T103-Y111 WeakPolarHBondContact O-CE1 3.36Å; T103-Y111 PolarHBondContact O-OH 3.31Å
104M97.7Very high97.3Very high8 Ų836.4 Ų36.44%0.03921%0.209CC..  trans-93136.6177.2-167.282.771.700110.2I65 V66 G85 S86 Y111I65-M104 HydrophobicContact CB-CE 4.21Å; I65-M104 HydrophobicContact CB-SD 4.12Å; I65-M104 HydrophobicContact CD1-CE 4.16Å; I65-M104 HydrophobicContact CD1-SD 3.82Å; I65-M104 HydrophobicContact CG2-CE 3.5Å; I65-M104 VanDerWaalsContact CG2-CE 3.5Å; I65-M104 HydrophobicContact CG2-SD 4.08Å; V66-M104 HydrophobicContact CG2-CG 4.04Å; G85-M104 WeakPolarHBondContact O-CE 3.43Å; S86-M104 WeakPolarHBondContact OG-CB 3.38Å; S86-M104 PolarHBondContact OG-N 3.34Å; M104-Y111 WeakPolarHBondContact CA-OH 3.1Å; M104-Y111 HydrophobicContact SD-CE1 4.35Å; M104-Y111 HydrophobicContact SD-CE2 4.31Å
105K97.5Very high97.2Very high88 Ų8837.6 Ų37.638%0.38322%0.219SC..  trans-120.2135.7171.4-64.2175.9176.9169.40108.5G62 D107 Y111G62-K105 CarbonylContact C-O 3.55Å; G62-K105 VanDerWaalsContact CA-O 3.24Å; G62-K105 WeakPolarHBondContact CA-O 3.32Å; K105-D107 PolarHBondContact O-N 3.08Å; K105-Y111 PolarHBondContact N-OH 3.13Å
106D97.6Very high97.2Very high64 Ų6441.4 Ų41.434%0.34224%0.244SC..SBendtrans-84.168.6172.8-173.814.3000110.2T63 V66 I82T63-D106 VanDerWaalsContact CA-OD1 3.26Å; T63-D106 WeakPolarHBondContact CA-OD1 3.48Å; T63-D106 WeakPolarHBondContact CB-OD1 3.48Å; T63-D106 PolarHBondContact OG1-OD1 3.2Å; V66-D106 HydrophobicContact CG1-CB 4.43Å; V66-D106 HydrophobicContact CG2-CB 4.14Å; I82-D106 HydrophobicContact CD1-CB 3.67Å; I82-D106 HydrophobicContact CG1-CB 3.96Å
107D97.3Very high97.1Very high67 Ų6748.4 Ų48.436%0.35827%0.271SS..SBendtrans-151.2-168.817865.120.2000111.2G62 T63 K105 T109G62-D107 PolarHBondContact N-O 3.3Å; T63-D107 PolarHBondContact N-O 2.91Å; T63-D107 WeakPolarHBondContact OG1-CA 3.28Å; T63-D107 PolarHBondContact OG1-N 3Å; T63-D107 PolarHBondContact OG1-O 3.34Å; K105-D107 PolarHBondContact O-N 3.08Å; D107-T109 PolarHBondContact O-N 2.84Å; D107-T109 VanDerWaalsContact O-N 3.14Å; D107-T109 WeakPolarHBondContact OD1-CA 3.35Å; D107-T109 WeakPolarHBondContact OD1-CB 3.28Å; D107-T109 PolarHBondContact OD1-N 3.39Å; D107-T109 PolarHBondContact OD1-OG1 3.47Å; D107-T109 PolarHBondContact OD2-OG1 2.88Å
108G96.6Very high97.3Very high55 Ų5548.4 Ų48.457%0.56727%0.27SS*.SBendtrans-72.28.6177.200000115.5F110G108-F110 PolarHBondContact O-N 2.87Å
109T97.5Very high97.5Very high28 Ų2844.8 Ų44.817%0.17224%0.24CC..  trans-59136176.4-63.10000110.1T61 G62 P96 D107 Y111T61-T109 CarbonylContact C-O 3.57Å; T61-T109 WeakPolarHBondContact CA-O 3.34Å; G62-T109 PolarHBondContact N-O 3.14Å; P96-T109 HydrophobicContact CB-CG2 4.43Å; D107-T109 PolarHBondContact O-N 2.84Å; D107-T109 VanDerWaalsContact O-N 3.14Å; D107-T109 WeakPolarHBondContact OD1-CA 3.35Å; D107-T109 WeakPolarHBondContact OD1-CB 3.28Å; D107-T109 PolarHBondContact OD1-N 3.39Å; D107-T109 PolarHBondContact OD1-OG1 3.47Å; D107-T109 PolarHBondContact OD2-OG1 2.88Å; T109-Y111 HydrophobicContact CG2-CD2 4.36Å; T109-Y111 HydrophobicContact CG2-CE2 3.67Å; T109-Y111 VanDerWaalsContact O-CD2 3.31Å; T109-Y111 WeakPolarHBondContact O-CD2 3.39Å
110F97.7Very high97.4Very high57 Ų5742.7 Ų42.725%0.2523%0.23CC..EExtended strand (participates in β ladder)trans-90.4131.8-178.8-65.7-54.5000112.4V49 V59 V60 T61 I97 G108V49-F110 HydrophobicContact CB-CZ 4.28Å; V49-F110 HydrophobicContact CG1-CE2 4.43Å; V49-F110 HydrophobicContact CG1-CZ 3.98Å; V49-F110 HydrophobicContact CG2-CE1 3.73Å; V49-F110 HydrophobicContact CG2-CZ 3.79Å; V59-F110 HydrophobicContact CB-CB 4.18Å; V59-F110 HydrophobicContact CB-CD1 4.18Å; V59-F110 HydrophobicContact CB-CG 4.38Å; V59-F110 HydrophobicContact CG1-CB 4.28Å; V59-F110 HydrophobicContact CG2-CD1 3.86Å; V59-F110 HydrophobicContact CG2-CE1 4.33Å; V59-F110 HydrophobicContact CG2-CG 4.27Å; V60-F110 WeakPolarHBondContact O-CA 3.5Å; T61-F110 HydrophobicContact CG2-CD1 4.19Å; T61-F110 HydrophobicContact CG2-CE1 3.96Å; I97-F110 HydrophobicContact CD1-CB 3.51Å; I97-F110 HydrophobicContact CD1-CD2 4.23Å; I97-F110 HydrophobicContact CD1-CG 4.26Å; I97-F110 HydrophobicContact CG1-CB 3.84Å; I97-F110 PolarHBondContact N-O 3.44Å; G108-F110 PolarHBondContact O-N 2.87Å
111Y98.4Very high97.2Very high1 Ų141.8 Ų41.80%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-119.3161.3177.1-65.8-95000111.3V59 V60 I65 I94 F95 P96 T103 M104 K105 T109V59-Y111 WeakPolarHBondContact CA-O 3.31Å; V60-Y111 PolarHBondContact N-O 2.91Å; V60-Y111 PolarHBondContact O-N 3.49Å; I65-Y111 HydrophobicContact CD1-CD2 4.22Å; I65-Y111 HydrophobicContact CD1-CG 4.11Å; I94-Y111 HydrophobicContact CG2-CD1 3.93Å; I94-Y111 HydrophobicContact CG2-CG 4.14Å; F95-Y111 CarbonylContact O-C 3.5Å; F95-Y111 VanDerWaalsContact O-CA 3.26Å; F95-Y111 WeakPolarHBondContact O-CA 3.28Å; P96-Y111 HydrophobicContact CB-CD1 4.07Å; P96-Y111 HydrophobicContact CB-CE1 3.73Å; P96-Y111 HydrophobicContact CG-CE1 4.2Å; T103-Y111 VanDerWaalsContact O-CE1 3.25Å; T103-Y111 WeakPolarHBondContact O-CE1 3.36Å; T103-Y111 PolarHBondContact O-OH 3.31Å; M104-Y111 WeakPolarHBondContact CA-OH 3.1Å; M104-Y111 HydrophobicContact SD-CE1 4.35Å; M104-Y111 HydrophobicContact SD-CE2 4.31Å; K105-Y111 PolarHBondContact N-OH 3.13Å; T109-Y111 HydrophobicContact CG2-CD2 4.36Å; T109-Y111 HydrophobicContact CG2-CE2 3.67Å; T109-Y111 VanDerWaalsContact O-CD2 3.31Å; T109-Y111 WeakPolarHBondContact O-CD2 3.39Å
112R98.1Very high97Very high17 Ų1743.8 Ų43.86%0.06424%0.237CC..EExtended strand (participates in β ladder)trans-128.2147.1170.1-76.2175.9-172.1-80.9-7.4110.1P57 S58 V59 I94 F95 I97P57-R112 PolarHBondContact O-NH1 2.67Å; P57-R112 PolarHBondContact O-NH2 3.29Å; S58-R112 WeakPolarHBondContact O-CG 3.35Å; S58-R112 PolarHBondContact O-NH1 3.16Å; V59-R112 HydrophobicContact CG1-CG 4.24Å; I94-R112 WeakPolarHBondContact CA-O 3.4Å; F95-R112 WeakPolarHBondContact CD1-O 3.46Å; F95-R112 HydrophobicContact CD2-CB 4.36Å; F95-R112 HydrophobicContact CE1-CB 3.97Å; F95-R112 HydrophobicContact CE2-CB 3.78Å; F95-R112 HydrophobicContact CE2-CG 4.41Å; F95-R112 HydrophobicContact CZ-CB 3.56Å; F95-R112 HydrophobicContact CZ-CG 4.42Å; F95-R112 PolarHBondContact N-O 2.99Å; F95-R112 PolarHBondContact O-N 2.92Å; I97-R112 HydrophobicContact CG2-CB 4.36Å; I97-R112 HydrophobicContact CG2-CG 3.59Å
113F98.3Very high96.4Very high20 Ų2046.4 Ų46.49%0.08826%0.256CS..EExtended strand (participates in β ladder)trans-73.4139.3164-64.2-72000110.3I33 M36 Q37 V44 I46 V60 I94I33-F113 HydrophobicContact CD1-CD1 4.31Å; I33-F113 HydrophobicContact CD1-CE1 4.3Å; I33-F113 HydrophobicContact CG2-CD1 4.36Å; M36-F113 HydrophobicContact CB-CE1 3.97Å; M36-F113 HydrophobicContact CB-CZ 3.9Å; M36-F113 HydrophobicContact SD-CE1 4.15Å; Q37-F113 HydrophobicContact CG-CD1 3.99Å; Q37-F113 HydrophobicContact CG-CD2 3.58Å; Q37-F113 HydrophobicContact CG-CE1 4.07Å; Q37-F113 HydrophobicContact CG-CE2 3.66Å; Q37-F113 HydrophobicContact CG-CG 3.76Å; Q37-F113 HydrophobicContact CG-CZ 3.91Å; V44-F113 HydrophobicContact CB-CZ 4.43Å; I46-F113 HydrophobicContact CD1-CD2 4.1Å; I46-F113 HydrophobicContact CD1-CE2 4.06Å; I46-F113 HydrophobicContact CG1-CD2 4.45Å; I46-F113 HydrophobicContact CG1-CE2 4.1Å; V60-F113 HydrophobicContact CG1-CE2 3.92Å; V60-F113 HydrophobicContact CG2-CE2 4.34Å; I94-F113 HydrophobicContact CD1-CD1 4.17Å; I94-F113 HydrophobicContact CD1-CE1 3.76Å; I94-F113 HydrophobicContact CG1-CD1 3.79Å; I94-F113 HydrophobicContact CG1-CE1 3.92Å
114Q98.4Very high96.1Very high5 Ų547.5 Ų47.52%0.02325%0.254CS..PPolyproline II helixtrans-78.7144.6175.6-176.961.1-78.600111.5G92 Y93 F95 F118 W119 Q195G92-Q114 WeakPolarHBondContact O-CB 3.48Å; G92-Q114 VanDerWaalsContact O-CG 3.23Å; G92-Q114 WeakPolarHBondContact O-CG 3.48Å; Y93-Q114 WeakPolarHBondContact O-CB 3.46Å; Y93-Q114 PolarHBondContact O-N 2.96Å; F95-Q114 HydrophobicContact CD1-CB 4.24Å; F95-Q114 HydrophobicContact CE1-CB 4.1Å; Q114-F118 HydrophobicContact CG-CB 3.72Å; Q114-W119 PolarHBondContact O-NE1 3.01Å; Q114-Q195 PolarHBondContact NE2-O 2.83Å; Q114-Q195 VanDerWaalsContact OE1-CB 3.29Å
115A97.5Very high95.7Very high24 Ų2455.8 Ų55.820%0.19829%0.293CS..PPolyproline II helixtrans-64.3137.7174.700000110.4Y117 F118A115-Y117 PolarHBondContact O-N 3.41Å; A115-F118 HydrophobicContact CB-CD2 4.26Å; A115-F118 PolarHBondContact O-N 3.13Å
116P97.4Very high95.6Very high81 Ų8152.5 Ų52.553%0.52628%0.281SS..G310 helixtrans-53.9-28.3179.4-29.435.7000115F118 W119 N122P116-F118 PolarHBondContact O-N 2.91Å; P116-W119 HydrophobicContact CB-CD2 4.08Å; P116-W119 HydrophobicContact CB-CE3 4.21Å; P116-W119 HydrophobicContact CB-CH2 4.49Å; P116-W119 HydrophobicContact CB-CZ2 4.33Å; P116-W119 HydrophobicContact CB-CZ3 4.42Å; P116-W119 HydrophobicContact CG-CH2 4.27Å; P116-W119 HydrophobicContact CG-CZ2 3.96Å; P116-W119 WeakPolarHBondContact O-CB 3.44Å; P116-W119 PolarHBondContact O-N 3.14Å; P116-W119 VanDerWaalsContact O-N 3.14Å; P116-N122 PolarHBondContact O-ND2 3.32Å
117Y96.7Very high95.6Very high150 Ų15055.3 Ų55.359%0.58829%0.292SS*.G310 helixtrans-54.8-38.4172.6176.3-105.9000112.9A115 N122 W124A115-Y117 PolarHBondContact O-N 3.41Å; Y117-N122 PolarHBondContact O-ND2 2.97Å; Y117-W124 HydrophobicContact CD1-CZ2 4.17Å; Y117-W124 HydrophobicContact CD2-CZ2 4.18Å; Y117-W124 AromaticContact CE1-CH2 3.92Å; Y117-W124 HydrophobicContact CE1-CH2 3.92Å; Y117-W124 AromaticContact CE1-CZ2 3.78Å; Y117-W124 HydrophobicContact CE1-CZ2 3.78Å; Y117-W124 AromaticContact CE2-CH2 3.9Å; Y117-W124 HydrophobicContact CE2-CH2 3.9Å; Y117-W124 AromaticContact CE2-CZ2 3.79Å; Y117-W124 HydrophobicContact CE2-CZ2 3.79Å; Y117-W124 HydrophobicContact CG-CZ2 4.38Å; Y117-W124 AromaticContact CZ-CH2 3.45Å; Y117-W124 VanDerWaalsContact CZ-CH2 3.45Å; Y117-W124 AromaticContact CZ-CZ2 3.59Å; Y117-W124 VanDerWaalsContact O-CZ2 3.28Å; Y117-W124 WeakPolarHBondContact O-CZ2 3.47Å; Y117-W124 PolarHBondContact O-NE1 2.89Å; Y117-W124 WeakPolarHBondContact OH-CH2 3.13Å
118F97.9Very high95.6Very high36 Ų3656 Ų5616%0.15830%0.295CS..G310 helixtrans-917.5-178.7-67.1-56.3000113.8Q114 A115 P116 Q195 F199Q114-F118 HydrophobicContact CG-CB 3.72Å; A115-F118 HydrophobicContact CB-CD2 4.26Å; A115-F118 PolarHBondContact O-N 3.13Å; P116-F118 PolarHBondContact O-N 2.91Å; F118-Q195 HydrophobicContact CD2-CB 4.28Å; F118-Q195 HydrophobicContact CE2-CB 4.14Å; F118-F199 HydrophobicContact CB-CB 4.34Å; F118-F199 HydrophobicContact CB-CD2 4.05Å; F118-F199 HydrophobicContact CD1-CB 3.83Å; F118-F199 HydrophobicContact CD1-CD1 4.48Å; F118-F199 AromaticContact CD1-CD2 3.47Å; F118-F199 HydrophobicContact CD1-CD2 3.47Å; F118-F199 VanDerWaalsContact CD1-CD2 3.47Å; F118-F199 HydrophobicContact CD1-CE2 4.12Å; F118-F199 AromaticContact CD1-CG 3.66Å; F118-F199 HydrophobicContact CD1-CG 3.66Å; F118-F199 HydrophobicContact CE1-CB 4.25Å; F118-F199 HydrophobicContact CE1-CD2 4.27Å; F118-F199 HydrophobicContact CE1-CG 4.1Å; F118-F199 HydrophobicContact CG-CB 4.07Å; F118-F199 HydrophobicContact CG-CD2 4.11Å; F118-F199 HydrophobicContact CG-CG 4.33Å
119W96.8Very high95.7Very high26 Ų2655.6 Ų55.610%0.09828%0.282CS..  trans-68.8143180-71.2-0.6000112.2E30 I33 Y93 Q114 P116 S121 N122E30-W119 HydrophobicContact CB-CE3 4.31Å; E30-W119 HydrophobicContact CB-CH2 4.36Å; E30-W119 HydrophobicContact CB-CZ3 3.83Å; E30-W119 HydrophobicContact CG-CD2 4.14Å; E30-W119 HydrophobicContact CG-CE3 3.45Å; E30-W119 VanDerWaalsContact CG-CE3 3.45Å; E30-W119 HydrophobicContact CG-CH2 4.19Å; E30-W119 HydrophobicContact CG-CZ3 3.48Å; E30-W119 VanDerWaalsContact CG-CZ3 3.48Å; I33-W119 HydrophobicContact CG2-CH2 4.32Å; I33-W119 HydrophobicContact CG2-CZ2 3.77Å; Y93-W119 AromaticContact CD1-CD1 3.74Å; Y93-W119 AromaticContact CD1-CD2 3.96Å; Y93-W119 HydrophobicContact CD1-CD2 3.96Å; Y93-W119 AromaticContact CD1-CE2 3.87Å; Y93-W119 AromaticContact CD1-CG 3.88Å; Y93-W119 HydrophobicContact CD1-CG 3.88Å; Y93-W119 AromaticContact CD1-NE1 3.75Å; Y93-W119 HydrophobicContact CE1-CB 3.92Å; Y93-W119 AromaticContact CE1-CD1 3.92Å; Y93-W119 AromaticContact CE1-CD2 3.67Å; Y93-W119 HydrophobicContact CE1-CD2 3.67Å; Y93-W119 HydrophobicContact CE1-CE3 4.17Å; Y93-W119 AromaticContact CE1-CG 3.57Å; Y93-W119 HydrophobicContact CE1-CG 3.57Å; Q114-W119 PolarHBondContact O-NE1 3.01Å; P116-W119 HydrophobicContact CB-CD2 4.08Å; P116-W119 HydrophobicContact CB-CE3 4.21Å; P116-W119 HydrophobicContact CB-CH2 4.49Å; P116-W119 HydrophobicContact CB-CZ2 4.33Å; P116-W119 HydrophobicContact CB-CZ3 4.42Å; P116-W119 HydrophobicContact CG-CH2 4.27Å; P116-W119 HydrophobicContact CG-CZ2 3.96Å; P116-W119 WeakPolarHBondContact O-CB 3.44Å; P116-W119 PolarHBondContact O-N 3.14Å; P116-W119 VanDerWaalsContact O-N 3.14Å; W119-S121 PolarHBondContact O-N 3.22Å; W119-N122 WeakPolarHBondContact O-CB 3.38Å; W119-N122 PolarHBondContact O-N 2.88Å; W119-N122 VanDerWaalsContact O-N 3.09Å
120P93.9Very high95.7Very high16 Ų1657.6 Ų57.610%0.10429%0.291CS..G310 helixtrans-59.2-24.4178.7-25.232.6000115.3Y26 Q91 Y93 N122 C123Y26-P120 HydrophobicContact CD1-CB 4.15Å; Y26-P120 HydrophobicContact CD2-CB 4.49Å; Y26-P120 HydrophobicContact CE1-CB 3.87Å; Y26-P120 HydrophobicContact CE2-CB 4.2Å; Y26-P120 HydrophobicContact CG-CB 4.48Å; Q91-P120 WeakPolarHBondContact O-CG 3.5Å; Y93-P120 HydrophobicContact CE2-CG 4.16Å; P120-N122 PolarHBondContact O-N 3.21Å; P120-C123 PolarHBondContact O-N 3.24Å
121S93Very high95.7Very high19 Ų1955 Ų5513%0.13328%0.28CS..G310 helixtrans-62.7-19.5174.949.60000113.7M23 E30 W119 C123M23-S121 WeakPolarHBondContact CE-O 3.35Å; E30-S121 WeakPolarHBondContact OE1-CB 3.48Å; E30-S121 PolarHBondContact OE1-OG 3.32Å; E30-S121 PolarHBondContact OE2-OG 3.42Å; W119-S121 PolarHBondContact O-N 3.22Å; S121-C123 PolarHBondContact O-N 2.66Å
122N92.1Very high95.7Very high87 Ų8755 Ų5547%0.46528%0.28SS..G310 helixtrans-74.74.2170.7-63.7-33.1000113P116 Y117 W119 P120 W124P116-N122 PolarHBondContact O-ND2 3.32Å; Y117-N122 PolarHBondContact O-ND2 2.97Å; W119-N122 WeakPolarHBondContact O-CB 3.38Å; W119-N122 PolarHBondContact O-N 2.88Å; W119-N122 VanDerWaalsContact O-N 3.09Å; P120-N122 PolarHBondContact O-N 3.21Å; N122-W124 VanDerWaalsContact C-N 3.35Å; N122-W124 PolarHBondContact O-N 2.95Å
123C86.6Confident95.8Very high71 Ų7154.4 Ų54.448%0.4828%0.278SS..  trans53.648175.2-64.80000112.9P120 S121 E125P120-C123 PolarHBondContact O-N 3.24Å; S121-C123 PolarHBondContact O-N 2.66Å; C123-E125 PolarHBondContact O-N 3.32Å
124W91Very high95.8Very high77 Ų7753.7 Ų53.729%0.29228%0.275SS..  trans-61.2127.9178.7-74.6106.5000112.4Y117 N122 F199Y117-W124 HydrophobicContact CD1-CZ2 4.17Å; Y117-W124 HydrophobicContact CD2-CZ2 4.18Å; Y117-W124 AromaticContact CE1-CH2 3.92Å; Y117-W124 HydrophobicContact CE1-CH2 3.92Å; Y117-W124 AromaticContact CE1-CZ2 3.78Å; Y117-W124 HydrophobicContact CE1-CZ2 3.78Å; Y117-W124 AromaticContact CE2-CH2 3.9Å; Y117-W124 HydrophobicContact CE2-CH2 3.9Å; Y117-W124 AromaticContact CE2-CZ2 3.79Å; Y117-W124 HydrophobicContact CE2-CZ2 3.79Å; Y117-W124 HydrophobicContact CG-CZ2 4.38Å; Y117-W124 AromaticContact CZ-CH2 3.45Å; Y117-W124 VanDerWaalsContact CZ-CH2 3.45Å; Y117-W124 AromaticContact CZ-CZ2 3.59Å; Y117-W124 VanDerWaalsContact O-CZ2 3.28Å; Y117-W124 WeakPolarHBondContact O-CZ2 3.47Å; Y117-W124 PolarHBondContact O-NE1 2.89Å; Y117-W124 WeakPolarHBondContact OH-CH2 3.13Å; N122-W124 VanDerWaalsContact C-N 3.35Å; N122-W124 PolarHBondContact O-N 2.95Å; W124-F199 HydrophobicContact CB-CE2 4.03Å; W124-F199 HydrophobicContact CB-CZ 4.36Å; W124-F199 AromaticContact CD1-CE2 3.93Å; W124-F199 AromaticContact CD2-CE2 3.81Å; W124-F199 HydrophobicContact CD2-CE2 3.81Å; W124-F199 HydrophobicContact CD2-CZ 4.14Å; W124-F199 HydrophobicContact CE3-CE2 4.32Å; W124-F199 HydrophobicContact CE3-CZ 4.18Å; W124-F199 AromaticContact CG-CE2 3.66Å; W124-F199 HydrophobicContact CG-CE2 3.66Å; W124-F199 HydrophobicContact CG-CZ 4.23Å
125E90Very high95.8Very high182 Ų18253.4 Ų53.485%0.8527%0.274SS*.  trans-125.269169.3-67.2-169.2161.800109.9C123 E127C123-E125 PolarHBondContact O-N 3.32Å; E125-E127 PolarHBondContact O-N 3.14Å
126P95.3Very high95.8Very high20 Ų2052.5 Ų52.513%0.1327%0.265CS..  trans-70134.4-17228.3-34.1000112.3F199 W200 H203 R204P126-F199 HydrophobicContact CB-CE1 4.16Å; P126-F199 HydrophobicContact CB-CZ 3.99Å; P126-F199 HydrophobicContact CG-CE1 4.24Å; P126-F199 HydrophobicContact CG-CZ 3.9Å; P126-W200 HydrophobicContact CB-CH2 3.68Å; P126-W200 HydrophobicContact CB-CZ3 3.85Å; P126-W200 HydrophobicContact CG-CH2 4.39Å; P126-W200 HydrophobicContact CG-CZ3 4.06Å; P126-H203 VanDerWaalsContact CD-CD2 3.43Å; P126-H203 WeakPolarHBondContact CD-CD2 3.5Å; P126-H203 HydrophobicContact CG-CB 3.76Å; P126-H203 VanDerWaalsContact CG-CD2 3.43Å; P126-H203 WeakPolarHBondContact CG-CD2 3.29Å; P126-R204 PolarHBondContact O-NH2 2.86Å; P126-R204 VanDerWaalsContact O-NH2 3.11Å
127E96.8Very high95.7Very high123 Ų12348.9 Ų48.958%0.57524%0.242SC*.  trans-80.3163.5-176.5-63-171.1-178.100112.3E125 T129 D130 Y131E125-E127 PolarHBondContact O-N 3.14Å; E127-T129 PolarHBondContact O-N 2.96Å; E127-D130 WeakPolarHBondContact CB-OD2 3.26Å; E127-D130 PolarHBondContact N-OD2 3.28Å; E127-D130 PolarHBondContact O-N 3.29Å; E127-Y131 PolarHBondContact O-N 3.48Å
128N97.9Very high95.7Very high81 Ų8142.3 Ų42.343%0.43322%0.216SC..Hα-helixtrans-64.8-26172.7-74.5-23.4000112.6A132 L159 F163 R204N128-A132 WeakPolarHBondContact O-CB 3.46Å; N128-A132 PolarHBondContact O-N 3.34Å; N128-L159 HydrophobicContact CB-CD2 3.81Å; N128-F163 HydrophobicContact CB-CE2 3.88Å; N128-F163 HydrophobicContact CB-CZ 3.76Å; N128-R204 PolarHBondContact OD1-NH2 2.99Å
129T97.9Very high95.6Very high47 Ų4743.6 Ų43.629%0.28823%0.227SC..Hα-helixtrans-65.1-44.8174.3-47.60000110.7E127 Y131 A132 I133 I170E127-T129 PolarHBondContact O-N 2.96Å; T129-Y131 VanDerWaalsContact C-N 3.34Å; T129-Y131 PolarHBondContact O-N 3.32Å; T129-A132 WeakPolarHBondContact O-CB 3.25Å; T129-A132 PolarHBondContact O-N 3.13Å; T129-I133 HydrophobicContact CG2-CD1 4.25Å; T129-I133 WeakPolarHBondContact O-CD1 3.2Å; T129-I133 WeakPolarHBondContact O-CG1 3.45Å; T129-I133 PolarHBondContact O-N 2.9Å; T129-I170 HydrophobicContact CG2-CD1 4.48Å; T129-I170 HydrophobicContact CG2-CG1 4.24Å
130D98Very high95.5Very high69 Ų6944.5 Ų44.537%0.36923%0.232SC..Hα-helixtrans-62.7-41.9178.1-57.3-49.9000111.4E127 A132 I133 Y134 W200E127-D130 WeakPolarHBondContact CB-OD2 3.26Å; E127-D130 PolarHBondContact N-OD2 3.28Å; E127-D130 PolarHBondContact O-N 3.29Å; D130-A132 PolarHBondContact O-N 3.27Å; D130-I133 PolarHBondContact O-N 3.48Å; D130-Y134 PolarHBondContact O-N 2.95Å; D130-W200 HydrophobicContact CB-CH2 3.8Å; D130-W200 HydrophobicContact CB-CZ2 3.91Å
131Y98.5Very high95.2Very high4 Ų444.9 Ų44.92%0.01623%0.233CC..Hα-helixtrans-66.1-38.9177.4-169.7-137.6000112E127 T129 I133 Y134 L135 N155 L159 W200 R204E127-Y131 PolarHBondContact O-N 3.48Å; T129-Y131 VanDerWaalsContact C-N 3.34Å; T129-Y131 PolarHBondContact O-N 3.32Å; Y131-I133 VanDerWaalsContact C-N 3.33Å; Y131-I133 PolarHBondContact O-N 2.84Å; Y131-Y134 AromaticContact CD2-CD1 3.9Å; Y131-Y134 HydrophobicContact CD2-CD1 3.9Å; Y131-Y134 AromaticContact CE2-CD1 3.86Å; Y131-Y134 HydrophobicContact CE2-CD1 3.86Å; Y131-Y134 HydrophobicContact CE2-CE1 4.23Å; Y131-Y134 PolarHBondContact O-N 3.3Å; Y131-L135 HydrophobicContact CD1-CD1 4.05Å; Y131-L135 HydrophobicContact CD2-CD1 4.41Å; Y131-L135 HydrophobicContact CD2-CG 4.15Å; Y131-L135 HydrophobicContact CE1-CD1 3.66Å; Y131-L135 HydrophobicContact CE1-CG 4.36Å; Y131-L135 HydrophobicContact CE2-CD1 4.05Å; Y131-L135 HydrophobicContact CE2-CD2 3.89Å; Y131-L135 HydrophobicContact CE2-CG 3.84Å; Y131-L135 HydrophobicContact CG-CD1 4.4Å; Y131-L135 WeakPolarHBondContact O-CG 3.41Å; Y131-L135 PolarHBondContact O-N 3.46Å; Y131-N155 HydrophobicContact CE1-CB 3.96Å; Y131-L159 HydrophobicContact CD1-CD1 3.73Å; Y131-L159 HydrophobicContact CE1-CD1 4.34Å; Y131-L159 HydrophobicContact CG-CD1 4.45Å; Y131-W200 VanDerWaalsContact CA-CH2 3.47Å; Y131-W200 AromaticContact CD2-CD2 3.54Å; Y131-W200 HydrophobicContact CD2-CD2 3.54Å; Y131-W200 AromaticContact CD2-CE3 3.39Å; Y131-W200 HydrophobicContact CD2-CE3 3.39Å; Y131-W200 HydrophobicContact CD2-CG 4.06Å; Y131-W200 HydrophobicContact CD2-CH2 4.23Å; Y131-W200 HydrophobicContact CD2-CZ2 4.36Å; Y131-W200 AromaticContact CD2-CZ3 3.78Å; Y131-W200 HydrophobicContact CD2-CZ3 3.78Å; Y131-W200 HydrophobicContact CE2-CB 4.24Å; Y131-W200 HydrophobicContact CE2-CD2 4.12Å; Y131-W200 HydrophobicContact CE2-CE3 4.07Å; Y131-W200 HydrophobicContact CE2-CG 4.21Å; Y131-W200 HydrophobicContact CG-CD2 4.48Å; Y131-W200 AromaticContact CG-CE3 3.99Å; Y131-W200 HydrophobicContact CG-CE3 3.99Å; Y131-W200 HydrophobicContact CG-CH2 4.32Å; Y131-W200 AromaticContact CG-CZ3 3.92Å; Y131-W200 HydrophobicContact CG-CZ3 3.92Å; Y131-W200 VanDerWaalsContact N-CH2 3.29Å; Y131-R204 HydrophobicContact CD1-CG 3.77Å; Y131-R204 HydrophobicContact CD2-CG 4.06Å; Y131-R204 HydrophobicContact CE1-CB 3.99Å; Y131-R204 HydrophobicContact CE1-CG 3.75Å; Y131-R204 HydrophobicContact CE2-CB 4.07Å; Y131-R204 HydrophobicContact CE2-CG 4.05Å; Y131-R204 HydrophobicContact CG-CG 3.95Å
132A98.5Very high94.8Very high0 Ų051.2 Ų51.20%027%0.265CS..Hα-helixtrans-62.2-41.2174.800000111.7N128 T129 D130 C136 L159 F163 W167 I170N128-A132 WeakPolarHBondContact O-CB 3.46Å; N128-A132 PolarHBondContact O-N 3.34Å; T129-A132 WeakPolarHBondContact O-CB 3.25Å; T129-A132 PolarHBondContact O-N 3.13Å; D130-A132 PolarHBondContact O-N 3.27Å; A132-C136 WeakPolarHBondContact O-CB 3.39Å; A132-C136 PolarHBondContact O-N 3.13Å; A132-L159 HydrophobicContact CB-CB 4.14Å; A132-L159 HydrophobicContact CB-CD1 4.1Å; A132-F163 HydrophobicContact CB-CD2 4.35Å; A132-W167 HydrophobicContact CB-CZ3 4.3Å; A132-I170 HydrophobicContact CB-CD1 4.06Å; A132-I170 HydrophobicContact CB-CG2 4.05Å
133I98.5Very high94.6Very high4 Ų450.2 Ų50.22%0.02126%0.257CS..Hα-helixtrans-62.1-46174.8-66.3158.3000110.4T129 D130 Y131 C136 K137 I170 Q173 A174T129-I133 HydrophobicContact CG2-CD1 4.25Å; T129-I133 WeakPolarHBondContact O-CD1 3.2Å; T129-I133 WeakPolarHBondContact O-CG1 3.45Å; T129-I133 PolarHBondContact O-N 2.9Å; D130-I133 PolarHBondContact O-N 3.48Å; Y131-I133 VanDerWaalsContact C-N 3.33Å; Y131-I133 PolarHBondContact O-N 2.84Å; I133-C136 PolarHBondContact O-N 3.46Å; I133-K137 WeakPolarHBondContact O-CB 3.19Å; I133-K137 PolarHBondContact O-N 3.24Å; I133-I170 HydrophobicContact CG1-CB 4.45Å; I133-I170 HydrophobicContact CG1-CG2 3.92Å; I133-Q173 HydrophobicContact CD1-CB 4.34Å; I133-Q173 HydrophobicContact CD1-CG 3.97Å; I133-Q173 HydrophobicContact CG1-CB 4.41Å; I133-Q173 HydrophobicContact CG1-CG 4.44Å; I133-Q173 HydrophobicContact CG2-CG 4.34Å; I133-A174 HydrophobicContact CG2-CB 4.19Å
134Y98.3Very high94.7Very high5 Ų550.4 Ų50.42%0.0226%0.263CS..Hα-helixtrans-59.2-50.6178166.8-104.2000112.6D130 Y131 K137 R138 E196 R197 W200D130-Y134 PolarHBondContact O-N 2.95Å; Y131-Y134 AromaticContact CD2-CD1 3.9Å; Y131-Y134 HydrophobicContact CD2-CD1 3.9Å; Y131-Y134 AromaticContact CE2-CD1 3.86Å; Y131-Y134 HydrophobicContact CE2-CD1 3.86Å; Y131-Y134 HydrophobicContact CE2-CE1 4.23Å; Y131-Y134 PolarHBondContact O-N 3.3Å; Y134-K137 WeakPolarHBondContact O-CB 3.34Å; Y134-K137 PolarHBondContact O-N 2.99Å; Y134-R138 HydrophobicContact CE2-CG 4.28Å; Y134-R138 PolarHBondContact O-N 2.94Å; Y134-R138 VanDerWaalsContact OH-CD 3.25Å; Y134-R138 WeakPolarHBondContact OH-CD 3.27Å; Y134-R138 PolarHBondContact OH-NH1 2.82Å; Y134-E196 HydrophobicContact CD2-CG 3.81Å; Y134-E196 HydrophobicContact CE2-CB 4.45Å; Y134-E196 HydrophobicContact CE2-CG 3.85Å; Y134-R197 VanDerWaalsContact OH-CA 3.27Å; Y134-R197 WeakPolarHBondContact OH-CA 3.36Å; Y134-R197 WeakPolarHBondContact OH-CB 3.49Å; Y134-W200 HydrophobicContact CD1-CB 4.4Å; Y134-W200 AromaticContact CD1-CD1 3.38Å; Y134-W200 HydrophobicContact CD1-CD2 4.35Å; Y134-W200 AromaticContact CD1-CG 3.8Å; Y134-W200 HydrophobicContact CD1-CG 3.8Å; Y134-W200 AromaticContact CD1-NE1 3.7Å; Y134-W200 AromaticContact CD2-CD1 3.43Å; Y134-W200 VanDerWaalsContact CD2-CD1 3.43Å; Y134-W200 AromaticContact CD2-NE1 3.5Å; Y134-W200 HydrophobicContact CE1-CB 4.07Å; Y134-W200 AromaticContact CE1-CD1 3.58Å; Y134-W200 AromaticContact CE1-CG 3.91Å; Y134-W200 HydrophobicContact CE1-CG 3.91Å; Y134-W200 AromaticContact CE2-CD1 3.61Å; Y134-W200 AromaticContact CG-CD1 3.3Å; Y134-W200 HydrophobicContact CG-CG 4.13Å; Y134-W200 AromaticContact CG-NE1 3.23Å; Y134-W200 AromaticContact CZ-CD1 3.67Å
135L98.3Very high94.5Very high0 Ų051.9 Ų51.90%027%0.269CS..Hα-helixtrans-64.8-44.3179.3-67.8179.3000111.2Y131 K137 R138 T139 L148 E152 N155 L156 L159Y131-L135 HydrophobicContact CD1-CD1 4.05Å; Y131-L135 HydrophobicContact CD2-CD1 4.41Å; Y131-L135 HydrophobicContact CD2-CG 4.15Å; Y131-L135 HydrophobicContact CE1-CD1 3.66Å; Y131-L135 HydrophobicContact CE1-CG 4.36Å; Y131-L135 HydrophobicContact CE2-CD1 4.05Å; Y131-L135 HydrophobicContact CE2-CD2 3.89Å; Y131-L135 HydrophobicContact CE2-CG 3.84Å; Y131-L135 HydrophobicContact CG-CD1 4.4Å; Y131-L135 WeakPolarHBondContact O-CG 3.41Å; Y131-L135 PolarHBondContact O-N 3.46Å; L135-K137 PolarHBondContact O-N 3.45Å; L135-R138 PolarHBondContact O-N 3.19Å; L135-T139 WeakPolarHBondContact O-CG2 3.44Å; L135-T139 PolarHBondContact O-N 2.95Å; L135-T139 VanDerWaalsContact O-N 3.11Å; L135-L148 HydrophobicContact CD2-CD2 3.82Å; L135-E152 HydrophobicContact CD2-CB 3.98Å; L135-E152 HydrophobicContact CD2-CG 4.42Å; L135-N155 HydrophobicContact CD1-CB 4.24Å; L135-L156 HydrophobicContact CB-CB 4.41Å; L135-L156 HydrophobicContact CB-CD1 3.88Å; L135-L156 HydrophobicContact CD1-CB 3.99Å; L135-L159 HydrophobicContact CD1-CD1 4.06Å
136C97.9Very high94.5Very high4 Ų443.9 Ų43.93%0.02723%0.232CC..Hα-helixtrans-57.4-49.5174.8-172.70000110.5A132 I133 R138 T139 M140 W167 I170 A174A132-C136 WeakPolarHBondContact O-CB 3.39Å; A132-C136 PolarHBondContact O-N 3.13Å; I133-C136 PolarHBondContact O-N 3.46Å; C136-R138 VanDerWaalsContact C-N 3.28Å; C136-R138 PolarHBondContact O-N 3.32Å; C136-T139 PolarHBondContact O-N 3.21Å; C136-T139 VanDerWaalsContact O-N 3.15Å; C136-T139 PolarHBondContact O-OG1 2.97Å; C136-M140 VanDerWaalsContact O-CG 3.32Å; C136-M140 WeakPolarHBondContact O-CG 3.35Å; C136-M140 PolarHBondContact O-N 3.41Å; C136-W167 HydrophobicContact CB-CH2 4.3Å; C136-W167 HydrophobicContact CB-CZ2 4.38Å; C136-I170 HydrophobicContact CB-CG2 4.46Å; C136-A174 HydrophobicContact CB-CB 3.93Å
137K96.8Very high94.5Very high6 Ų649.4 Ų49.43%0.02626%0.256CS..Hα-helixtrans-53.8-43.3176.4177.617471.8-179.30112I133 Y134 L135 M140 Q141 A174 Q177 V178 D181 E196I133-K137 WeakPolarHBondContact O-CB 3.19Å; I133-K137 PolarHBondContact O-N 3.24Å; Y134-K137 WeakPolarHBondContact O-CB 3.34Å; Y134-K137 PolarHBondContact O-N 2.99Å; L135-K137 PolarHBondContact O-N 3.45Å; K137-M140 PolarHBondContact O-N 2.68Å; K137-Q141 WeakPolarHBondContact O-CG 3.5Å; K137-A174 HydrophobicContact CB-CB 4.13Å; K137-Q177 HydrophobicContact CD-CB 3.78Å; K137-V178 HydrophobicContact CB-CG2 4.47Å; K137-V178 HydrophobicContact CG-CG2 3.68Å; K137-D181 IonicContact NZ-OD2 2.95Å; K137-E196 WeakPolarHBondContact CE-OE2 3.34Å; K137-E196 IonicContact NZ-OE1 3.77Å; K137-E196 PolarHBondContact NZ-OE1 2.71Å; K137-E196 IonicContact NZ-OE2 2.69Å; K137-E196 PolarHBondContact NZ-OE2 3.14Å
138R96.3Very high94.5Very high11 Ų1145.3 Ų45.34%0.04224%0.238CC..Hα-helixtrans-63-44.8178-83.1-17659.6-166.9-7.9113Y134 L135 C136 M140 Q141 L146 E147 L148 E152Y134-R138 HydrophobicContact CE2-CG 4.28Å; Y134-R138 PolarHBondContact O-N 2.94Å; Y134-R138 VanDerWaalsContact OH-CD 3.25Å; Y134-R138 WeakPolarHBondContact OH-CD 3.27Å; Y134-R138 PolarHBondContact OH-NH1 2.82Å; L135-R138 PolarHBondContact O-N 3.19Å; C136-R138 VanDerWaalsContact C-N 3.28Å; C136-R138 PolarHBondContact O-N 3.32Å; R138-M140 PolarHBondContact O-N 2.97Å; R138-Q141 PolarHBondContact O-N 3.34Å; R138-Q141 VanDerWaalsContact O-N 3.17Å; R138-L146 PolarHBondContact NE-O 3.1Å; R138-L146 PolarHBondContact NH2-O 3.29Å; R138-E147 PolarHBondContact NH2-O 3.36Å; R138-L148 HydrophobicContact CB-CD2 3.9Å; R138-E152 IonicContact CZ-OE1 3.74Å; R138-E152 IonicContact CZ-OE2 3.68Å; R138-E152 VanDerWaalsContact CZ-OE2 3.27Å; R138-E152 IonicContact NH1-OE1 2.83Å; R138-E152 PolarHBondContact NH1-OE1 3.43Å; R138-E152 IonicContact NH1-OE2 3.55Å; R138-E152 PolarHBondContact NH1-OE2 3.01Å; R138-E152 IonicContact NH2-OE1 3.27Å; R138-E152 IonicContact NH2-OE2 3.19Å; R138-E152 PolarHBondContact NH2-OE2 3.31Å
139T95.4Very high94.4Very high64 Ų6443 Ų4339%0.39323%0.23SC..Hα-helixtrans-61-30178.163.70000112.9L135 C136 Q141 N142 L148 L156L135-T139 WeakPolarHBondContact O-CG2 3.44Å; L135-T139 PolarHBondContact O-N 2.95Å; L135-T139 VanDerWaalsContact O-N 3.11Å; C136-T139 PolarHBondContact O-N 3.21Å; C136-T139 VanDerWaalsContact O-N 3.15Å; C136-T139 PolarHBondContact O-OG1 2.97Å; T139-Q141 VanDerWaalsContact C-N 3.3Å; T139-Q141 PolarHBondContact O-N 3.44Å; T139-N142 PolarHBondContact O-OD1 3.24Å; T139-L148 HydrophobicContact CG2-CD1 3.55Å; T139-L148 HydrophobicContact CG2-CG 3.96Å; T139-L156 HydrophobicContact CG2-CD2 3.76Å
140M93.9Very high94.4Very high44 Ų4447.9 Ų47.922%0.21725%0.254CS..THydrogen-bonded Turntrans-76.6-13.1-179-62.4173.383.500114.2C136 K137 R138 F171 A174 E175 V178C136-M140 VanDerWaalsContact O-CG 3.32Å; C136-M140 WeakPolarHBondContact O-CG 3.35Å; C136-M140 PolarHBondContact O-N 3.41Å; K137-M140 PolarHBondContact O-N 2.68Å; R138-M140 PolarHBondContact O-N 2.97Å; M140-F171 HydrophobicContact CE-CD2 4.49Å; M140-F171 HydrophobicContact CE-CE1 4.17Å; M140-F171 HydrophobicContact CE-CE2 3.74Å; M140-F171 HydrophobicContact CE-CZ 3.55Å; M140-F171 HydrophobicContact SD-CD2 4.46Å; M140-F171 HydrophobicContact SD-CE2 4.09Å; M140-F171 HydrophobicContact SD-CZ 4.49Å; M140-A174 HydrophobicContact SD-CB 4.07Å; M140-E175 HydrophobicContact CE-CB 3.74Å; M140-E175 HydrophobicContact CE-CG 3.74Å; M140-V178 HydrophobicContact CB-CG2 4.24Å; M140-V178 HydrophobicContact SD-CG2 4.47Å
141Q87.9Confident94.4Very high25 Ų2546 Ų4612%0.11724%0.242CC..THydrogen-bonded Turntrans-85.2-15.3-173.7-68.3-16145.900114.3K137 R138 T139 K143 L146K137-Q141 WeakPolarHBondContact O-CG 3.5Å; R138-Q141 PolarHBondContact O-N 3.34Å; R138-Q141 VanDerWaalsContact O-N 3.17Å; T139-Q141 VanDerWaalsContact C-N 3.3Å; T139-Q141 PolarHBondContact O-N 3.44Å; Q141-K143 VanDerWaalsContact C-N 3.33Å; Q141-K143 PolarHBondContact O-N 3.44Å; Q141-L146 HydrophobicContact CB-CD1 3.65Å; Q141-L146 HydrophobicContact CG-CD1 3.98Å
142N85.3Confident94.3Very high151 Ų15145.8 Ų45.881%0.80724%0.242SC*.  trans46.650.4179.2-66.1-13000113.5T139T139-N142 PolarHBondContact O-OD1 3.24Å
143K88.3Confident94.3Very high67 Ų6748 Ų4829%0.29126%0.259SS..  trans-127.6130175.8-67.9174.8-169.3157.30109.4Q141 R145 L146 E147Q141-K143 VanDerWaalsContact C-N 3.33Å; Q141-K143 PolarHBondContact O-N 3.44Å; K143-R145 VanDerWaalsContact C-N 3.25Å; K143-R145 HydrophobicContact CB-CG 4.33Å; K143-R145 PolarHBondContact O-N 2.87Å; K143-R145 VanDerWaalsContact O-N 3.13Å; K143-L146 HydrophobicContact CB-CB 4.41Å; K143-L146 HydrophobicContact CB-CD1 4.39Å; K143-L146 HydrophobicContact CB-CG 4.41Å; K143-L146 HydrophobicContact CD-CD1 4.12Å; K143-L146 WeakPolarHBondContact O-CA 3.46Å; K143-L146 PolarHBondContact O-N 3.1Å; K143-E147 PolarHBondContact O-N 2.87Å
144A87.8Confident94.3Very high75 Ų7554.5 Ų54.562%0.6229%0.29SS*.G310 helixtrans-48.7-44.1177.800000113.4L146 E147A144-L146 PolarHBondContact O-N 3.36Å; A144-E147 WeakPolarHBondContact O-CB 3.41Å; A144-E147 PolarHBondContact O-N 3.03Å; A144-E147 VanDerWaalsContact O-N 3.14Å
145R86.7Confident94.3Very high108 Ų10855.5 Ų55.541%0.40830%0.296SS..G310 helixtrans-63.3-11.817877.9178.9177.782.11.6115.6K143 D193K143-R145 VanDerWaalsContact C-N 3.25Å; K143-R145 HydrophobicContact CB-CG 4.33Å; K143-R145 PolarHBondContact O-N 2.87Å; K143-R145 VanDerWaalsContact O-N 3.13Å; R145-D193 IonicContact CZ-OD2 2.73Å; R145-D193 IonicContact NH1-OD2 2.89Å; R145-D193 PolarHBondContact NH1-OD2 2.88Å; R145-D193 IonicContact NH2-OD2 3.26Å; R145-D193 PolarHBondContact NH2-OD2 3.02Å
146L90.6Very high94.3Very high13 Ų1356.2 Ų56.27%0.06830%0.299CS..G310 helixtrans-1170.4-178.2-66.5-179.6000111.9R138 Q141 K143 A144 D193R138-L146 PolarHBondContact NE-O 3.1Å; R138-L146 PolarHBondContact NH2-O 3.29Å; Q141-L146 HydrophobicContact CB-CD1 3.65Å; Q141-L146 HydrophobicContact CG-CD1 3.98Å; K143-L146 HydrophobicContact CB-CB 4.41Å; K143-L146 HydrophobicContact CB-CD1 4.39Å; K143-L146 HydrophobicContact CB-CG 4.41Å; K143-L146 HydrophobicContact CD-CD1 4.12Å; K143-L146 WeakPolarHBondContact O-CA 3.46Å; K143-L146 PolarHBondContact O-N 3.1Å; A144-L146 PolarHBondContact O-N 3.36Å; L146-D193 HydrophobicContact CD2-CB 4.24Å
147E94.1Very high94.3Very high136 Ų13657.9 Ų57.964%0.63631%0.313SS*.PPolyproline II helixtrans-54.9141.5173.8-76.5171.8-173.800109.7R138 K143 A144R138-E147 PolarHBondContact NH2-O 3.36Å; K143-E147 PolarHBondContact O-N 2.87Å; A144-E147 WeakPolarHBondContact O-CB 3.41Å; A144-E147 PolarHBondContact O-N 3.03Å; A144-E147 VanDerWaalsContact O-N 3.14Å
148L96.8Very high94.4Very high37 Ų3764.2 Ų64.219%0.19434%0.337CS..PPolyproline II helixtrans-71.4136.2179.7-61.9-171000109.1L135 R138 T139 E152 A153 L156L135-L148 HydrophobicContact CD2-CD2 3.82Å; R138-L148 HydrophobicContact CB-CD2 3.9Å; T139-L148 HydrophobicContact CG2-CD1 3.55Å; T139-L148 HydrophobicContact CG2-CG 3.96Å; L148-E152 HydrophobicContact CB-CB 4.01Å; L148-E152 HydrophobicContact CD2-CB 4.28Å; L148-A153 HydrophobicContact CB-CB 4.35Å; L148-L156 HydrophobicContact CD1-CB 4.31Å; L148-L156 HydrophobicContact CD1-CD2 3.64Å
149A96.6Very high94.5Very high33 Ų3364.1 Ų64.127%0.27334%0.337SS..PPolyproline II helixtrans-66.7161.4163.900000110.3Y151 E152 A153A149-Y151 VanDerWaalsContact C-N 3.3Å; A149-Y151 HydrophobicContact CB-CD1 3.68Å; A149-Y151 HydrophobicContact CB-CE1 3.51Å; A149-Y151 PolarHBondContact O-N 3.16Å; A149-E152 HydrophobicContact CB-CG 4.24Å; A149-E152 PolarHBondContact N-OE2 3.34Å; A149-E152 WeakPolarHBondContact O-CA 3.34Å; A149-E152 WeakPolarHBondContact O-CB 3.37Å; A149-E152 PolarHBondContact O-N 3.26Å; A149-A153 PolarHBondContact O-N 2.87Å
150D97.4Very high94.6Very high150 Ų15064.9 Ų64.980%0.80234%0.336SS*.Hα-helixtrans-54.9-44.3-176.2-64.9-26.9000112.7E152 A153 E154D150-E152 VanDerWaalsContact C-N 3.3Å; D150-E152 PolarHBondContact O-N 3.37Å; D150-A153 PolarHBondContact O-N 3.22Å; D150-E154 PolarHBondContact O-N 3.01Å
151Y97.6Very high94.8Very high28 Ų2871.1 Ų71.111%0.1136%0.357CS..Hα-helixtrans-66.1-31.9177.679.7-85.4000112.8H100 A149 N155 V206 P207H100-Y151 PolarHBondContact ND1-OH 3.29Å; A149-Y151 VanDerWaalsContact C-N 3.3Å; A149-Y151 HydrophobicContact CB-CD1 3.68Å; A149-Y151 HydrophobicContact CB-CE1 3.51Å; A149-Y151 PolarHBondContact O-N 3.16Å; Y151-N155 WeakPolarHBondContact O-CB 3.46Å; Y151-N155 VanDerWaalsContact O-CG 3.28Å; Y151-N155 PolarHBondContact O-N 2.86Å; Y151-N155 PolarHBondContact O-ND2 3.27Å; Y151-N155 VanDerWaalsContact O-ND2 3.13Å; Y151-V206 HydrophobicContact CE1-CG1 4.43Å; Y151-V206 HydrophobicContact CE1-CG2 3.99Å; Y151-P207 HydrophobicContact CD2-CG 4.44Å; Y151-P207 HydrophobicContact CG-CG 4.27Å
152E98.1Very high95.3Very high1 Ų173.4 Ų73.41%0.00538%0.381CS..Hα-helixtrans-72-39.3175.5-62.6-173.1116.600110.9H100 L135 R138 L148 A149 D150 N155 L156H100-E152 IonicContact CE1-OE1 2.63Å; H100-E152 IonicContact CE1-OE2 2.72Å; H100-E152 IonicContact NE2-OE2 2.98Å; L135-E152 HydrophobicContact CD2-CB 3.98Å; L135-E152 HydrophobicContact CD2-CG 4.42Å; R138-E152 IonicContact CZ-OE1 3.74Å; R138-E152 IonicContact CZ-OE2 3.68Å; R138-E152 VanDerWaalsContact CZ-OE2 3.27Å; R138-E152 IonicContact NH1-OE1 2.83Å; R138-E152 PolarHBondContact NH1-OE1 3.43Å; R138-E152 IonicContact NH1-OE2 3.55Å; R138-E152 PolarHBondContact NH1-OE2 3.01Å; R138-E152 IonicContact NH2-OE1 3.27Å; R138-E152 IonicContact NH2-OE2 3.19Å; R138-E152 PolarHBondContact NH2-OE2 3.31Å; L148-E152 HydrophobicContact CB-CB 4.01Å; L148-E152 HydrophobicContact CD2-CB 4.28Å; A149-E152 HydrophobicContact CB-CG 4.24Å; A149-E152 PolarHBondContact N-OE2 3.34Å; A149-E152 WeakPolarHBondContact O-CA 3.34Å; A149-E152 WeakPolarHBondContact O-CB 3.37Å; A149-E152 PolarHBondContact O-N 3.26Å; D150-E152 VanDerWaalsContact C-N 3.3Å; D150-E152 PolarHBondContact O-N 3.37Å; E152-N155 WeakPolarHBondContact O-CB 3.32Å; E152-N155 PolarHBondContact O-N 3.03Å; E152-L156 WeakPolarHBondContact O-CB 3.46Å; E152-L156 PolarHBondContact O-N 3.15Å
153A97.9Very high95.9Very high45 Ų4568.4 Ų68.437%0.37235%0.352SS..Hα-helixtrans-64.8-41.7174.900000111.5L148 A149 D150 L156 A157L148-A153 HydrophobicContact CB-CB 4.35Å; A149-A153 PolarHBondContact O-N 2.87Å; D150-A153 PolarHBondContact O-N 3.22Å; A153-L156 PolarHBondContact O-N 3.34Å; A153-A157 PolarHBondContact O-N 3.37Å
154E98.1Very high96.4Very high142 Ų14268.3 Ų68.366%0.66436%0.364SS*.Hα-helixtrans-62-44.6173.1-172.1-175.8170.100111.5D150 L156 A157 R158D150-E154 PolarHBondContact O-N 3.01Å; E154-L156 PolarHBondContact O-N 3.35Å; E154-A157 PolarHBondContact O-N 2.71Å; E154-R158 PolarHBondContact O-N 2.8Å
155N98.1Very high96.8Very high26 Ų2676.4 Ų76.414%0.13938%0.378CS..Hα-helixtrans-59.4-45.7174.7-83.5-37.5000111.8Y131 L135 Y151 E152 A157 R158 L159Y131-N155 HydrophobicContact CE1-CB 3.96Å; L135-N155 HydrophobicContact CD1-CB 4.24Å; Y151-N155 WeakPolarHBondContact O-CB 3.46Å; Y151-N155 VanDerWaalsContact O-CG 3.28Å; Y151-N155 PolarHBondContact O-N 2.86Å; Y151-N155 PolarHBondContact O-ND2 3.27Å; Y151-N155 VanDerWaalsContact O-ND2 3.13Å; E152-N155 WeakPolarHBondContact O-CB 3.32Å; E152-N155 PolarHBondContact O-N 3.03Å; N155-A157 PolarHBondContact O-N 2.99Å; N155-R158 WeakPolarHBondContact O-CB 3.28Å; N155-R158 PolarHBondContact O-N 3.43Å; N155-R158 PolarHBondContact OD1-NH2 2.83Å; N155-L159 WeakPolarHBondContact O-CD1 3.13Å; N155-L159 VanDerWaalsContact O-CG 3.23Å; N155-L159 WeakPolarHBondContact O-CG 3.4Å; N155-L159 PolarHBondContact O-N 3.18Å
156L98.4Very high97.3Very high15 Ų1578 Ų788%0.07939%0.388CS..Hα-helixtrans-58.4-47.4176.1-178.758.5000111.2L135 T139 L148 E152 A153 E154 R158 L159 Q160 W167L135-L156 HydrophobicContact CB-CB 4.41Å; L135-L156 HydrophobicContact CB-CD1 3.88Å; L135-L156 HydrophobicContact CD1-CB 3.99Å; T139-L156 HydrophobicContact CG2-CD2 3.76Å; L148-L156 HydrophobicContact CD1-CB 4.31Å; L148-L156 HydrophobicContact CD1-CD2 3.64Å; E152-L156 WeakPolarHBondContact O-CB 3.46Å; E152-L156 PolarHBondContact O-N 3.15Å; A153-L156 PolarHBondContact O-N 3.34Å; E154-L156 PolarHBondContact O-N 3.35Å; L156-R158 VanDerWaalsContact C-N 3.28Å; L156-R158 PolarHBondContact O-N 3.3Å; L156-L159 PolarHBondContact O-N 2.95Å; L156-L159 VanDerWaalsContact O-N 3.15Å; L156-Q160 HydrophobicContact CD1-CG 4.35Å; L156-Q160 WeakPolarHBondContact O-CB 3.35Å; L156-Q160 WeakPolarHBondContact O-CG 3.35Å; L156-Q160 PolarHBondContact O-N 3.25Å; L156-W167 HydrophobicContact CD1-CH2 3.59Å; L156-W167 HydrophobicContact CD1-CZ2 4.38Å; L156-W167 HydrophobicContact CD1-CZ3 4.42Å
157A98.4Very high97.7Very high39 Ų3979.9 Ų79.932%0.32239%0.394SS..Hα-helixtrans-61.3-36.7178.200000112.3A153 E154 N155 R161A153-A157 PolarHBondContact O-N 3.37Å; E154-A157 PolarHBondContact O-N 2.71Å; N155-A157 PolarHBondContact O-N 2.99Å; A157-R161 PolarHBondContact O-N 3.44Å; A157-R161 PolarHBondContact O-NE 2.83Å
158R98.4Very high97.8Very high139 Ų13980.6 Ų80.653%0.52540%0.398SS..Hα-helixtrans-66.7-43.3173.7-177.5176.162.1168.2-3.4111.9E154 N155 L156 R161 A162E154-R158 PolarHBondContact O-N 2.8Å; N155-R158 WeakPolarHBondContact O-CB 3.28Å; N155-R158 PolarHBondContact O-N 3.43Å; N155-R158 PolarHBondContact OD1-NH2 2.83Å; L156-R158 VanDerWaalsContact C-N 3.28Å; L156-R158 PolarHBondContact O-N 3.3Å; R158-R161 PolarHBondContact O-N 3.07Å; R158-A162 WeakPolarHBondContact O-CB 2.99Å; R158-A162 PolarHBondContact O-N 3.35Å
159L98.4Very high97.9Very high9 Ų985.3 Ų85.35%0.04742%0.417CS..Hα-helixtrans-68.2-39179.4-67.4163.7000111.8N128 Y131 A132 L135 N155 L156 R161 A162 F163N128-L159 HydrophobicContact CB-CD2 3.81Å; Y131-L159 HydrophobicContact CD1-CD1 3.73Å; Y131-L159 HydrophobicContact CE1-CD1 4.34Å; Y131-L159 HydrophobicContact CG-CD1 4.45Å; A132-L159 HydrophobicContact CB-CB 4.14Å; A132-L159 HydrophobicContact CB-CD1 4.1Å; L135-L159 HydrophobicContact CD1-CD1 4.06Å; N155-L159 WeakPolarHBondContact O-CD1 3.13Å; N155-L159 VanDerWaalsContact O-CG 3.23Å; N155-L159 WeakPolarHBondContact O-CG 3.4Å; N155-L159 PolarHBondContact O-N 3.18Å; L156-L159 PolarHBondContact O-N 2.95Å; L156-L159 VanDerWaalsContact O-N 3.15Å; L159-R161 VanDerWaalsContact C-N 3.31Å; L159-R161 PolarHBondContact O-N 2.85Å; L159-A162 PolarHBondContact O-N 3.46Å; L159-F163 HydrophobicContact CB-CD2 4.28Å; L159-F163 HydrophobicContact CD2-CD2 4.26Å; L159-F163 HydrophobicContact CD2-CE2 3.7Å; L159-F163 WeakPolarHBondContact O-CB 3.46Å; L159-F163 WeakPolarHBondContact O-CD2 3.23Å; L159-F163 PolarHBondContact O-N 3.49Å
160Q98.3Very high98Very high79 Ų7984 Ų8437%0.36941%0.405SS..Hα-helixtrans-58.1-43.4172.8-78.3175.9-22.700111.8L156 A164 W167L156-Q160 HydrophobicContact CD1-CG 4.35Å; L156-Q160 WeakPolarHBondContact O-CB 3.35Å; L156-Q160 WeakPolarHBondContact O-CG 3.35Å; L156-Q160 PolarHBondContact O-N 3.25Å; Q160-A164 VanDerWaalsContact O-CA 3.26Å; Q160-A164 WeakPolarHBondContact O-CA 3.29Å; Q160-A164 PolarHBondContact O-N 2.77Å; Q160-W167 HydrophobicContact CB-CE3 4.34Å; Q160-W167 HydrophobicContact CB-CZ3 4.29Å; Q160-W167 HydrophobicContact CG-CD2 3.96Å; Q160-W167 HydrophobicContact CG-CE3 3.74Å; Q160-W167 HydrophobicContact CG-CH2 3.36Å; Q160-W167 HydrophobicContact CG-CZ2 3.55Å; Q160-W167 HydrophobicContact CG-CZ3 3.43Å; Q160-W167 VanDerWaalsContact CG-CZ3 3.43Å; Q160-W167 VanDerWaalsContact NE2-CZ2 3.32Å
161R98.3Very high98Very high175 Ų17581 Ų8166%0.6639%0.385SS*.Hα-helixtrans-64.5-46.6173.7-75.9-179.4-79.2124.2-10.5112A157 R158 L159 F163A157-R161 PolarHBondContact O-N 3.44Å; A157-R161 PolarHBondContact O-NE 2.83Å; R158-R161 PolarHBondContact O-N 3.07Å; L159-R161 VanDerWaalsContact C-N 3.31Å; L159-R161 PolarHBondContact O-N 2.85Å; R161-F163 VanDerWaalsContact C-N 3.34Å; R161-F163 PolarHBondContact O-N 3.34Å
162A98Very high98Very high73 Ų7384.4 Ų84.460%0.60340%0.404SS*.Hα-helixtrans-65.1-35.8-178.800000113.1R158 L159R158-A162 WeakPolarHBondContact O-CB 2.99Å; R158-A162 PolarHBondContact O-N 3.35Å; L159-A162 PolarHBondContact O-N 3.46Å
163F98.1Very high98Very high46 Ų4688.9 Ų88.920%0.20242%0.424CS..THydrogen-bonded Turntrans-109.923.3-175.9-58.9-53.8000113.6N128 A132 L159 R161 R165 K166 W167 I170N128-F163 HydrophobicContact CB-CE2 3.88Å; N128-F163 HydrophobicContact CB-CZ 3.76Å; A132-F163 HydrophobicContact CB-CD2 4.35Å; L159-F163 HydrophobicContact CB-CD2 4.28Å; L159-F163 HydrophobicContact CD2-CD2 4.26Å; L159-F163 HydrophobicContact CD2-CE2 3.7Å; L159-F163 WeakPolarHBondContact O-CB 3.46Å; L159-F163 WeakPolarHBondContact O-CD2 3.23Å; L159-F163 PolarHBondContact O-N 3.49Å; R161-F163 VanDerWaalsContact C-N 3.34Å; R161-F163 PolarHBondContact O-N 3.34Å; F163-R165 PolarHBondContact O-N 3.46Å; F163-K166 CarbonylContact O-C 3.57Å; F163-K166 WeakPolarHBondContact O-CA 3.28Å; F163-K166 PolarHBondContact O-N 2.97Å; F163-W167 PolarHBondContact O-N 2.97Å; F163-I170 HydrophobicContact CB-CD1 3.7Å; F163-I170 HydrophobicContact CD2-CD1 3.94Å; F163-I170 HydrophobicContact CG-CD1 4Å
164A97.9Very high98Very high66 Ų6686.8 Ų86.855%0.54541%0.407SS..G310 helixtrans-49.8-41.2-173.200000113.7Q160 K166Q160-A164 VanDerWaalsContact O-CA 3.26Å; Q160-A164 WeakPolarHBondContact O-CA 3.29Å; Q160-A164 PolarHBondContact O-N 2.77Å; A164-K166 VanDerWaalsContact C-N 3.35Å; A164-K166 PolarHBondContact O-N 3.5Å
165R97.5Very high98Very high244 Ų24483.5 Ų83.592%0.92139%0.391SS*.G310 helixtrans-74.9-20179.1-65.2-176178.6177.8-0.4114.7F163F163-R165 PolarHBondContact O-N 3.46Å
166K96.3Very high98Very high143 Ų14384.5 Ų84.562%0.62240%0.403SS*.G310 helixtrans-108.63.7-179.3-65.4-177.7173.6-179.30112.2F163 A164 E168 F169 I170F163-K166 CarbonylContact O-C 3.57Å; F163-K166 WeakPolarHBondContact O-CA 3.28Å; F163-K166 PolarHBondContact O-N 2.97Å; A164-K166 VanDerWaalsContact C-N 3.35Å; A164-K166 PolarHBondContact O-N 3.5Å; K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 3.43Å; K166-F169 HydrophobicContact CB-CD2 4.49Å; K166-F169 PolarHBondContact O-N 2.96Å; K166-F169 VanDerWaalsContact O-N 3.1Å; K166-I170 PolarHBondContact O-N 3.32Å
167W98Very high97.9Very high51 Ų5186.5 Ų86.519%0.19341%0.412CS..Hα-helixtrans-62.2-36.9-170.6-172.2-103.7000112.8A132 C136 L156 Q160 F163 F169 I170 F171A132-W167 HydrophobicContact CB-CZ3 4.3Å; C136-W167 HydrophobicContact CB-CH2 4.3Å; C136-W167 HydrophobicContact CB-CZ2 4.38Å; L156-W167 HydrophobicContact CD1-CH2 3.59Å; L156-W167 HydrophobicContact CD1-CZ2 4.38Å; L156-W167 HydrophobicContact CD1-CZ3 4.42Å; Q160-W167 HydrophobicContact CB-CE3 4.34Å; Q160-W167 HydrophobicContact CB-CZ3 4.29Å; Q160-W167 HydrophobicContact CG-CD2 3.96Å; Q160-W167 HydrophobicContact CG-CE3 3.74Å; Q160-W167 HydrophobicContact CG-CH2 3.36Å; Q160-W167 HydrophobicContact CG-CZ2 3.55Å; Q160-W167 HydrophobicContact CG-CZ3 3.43Å; Q160-W167 VanDerWaalsContact CG-CZ3 3.43Å; Q160-W167 VanDerWaalsContact NE2-CZ2 3.32Å; F163-W167 PolarHBondContact O-N 2.97Å; W167-F169 VanDerWaalsContact C-N 3.29Å; W167-F169 PolarHBondContact O-N 2.93Å; W167-I170 HydrophobicContact CE3-CB 4.43Å; W167-I170 HydrophobicContact CE3-CD1 4.06Å; W167-I170 HydrophobicContact CE3-CG2 4.3Å; W167-I170 HydrophobicContact CH2-CG2 4.23Å; W167-I170 HydrophobicContact CZ3-CD1 4.28Å; W167-I170 HydrophobicContact CZ3-CG2 4Å; W167-I170 WeakPolarHBondContact O-CB 3.3Å; W167-I170 PolarHBondContact O-N 3.35Å; W167-F171 WeakPolarHBondContact O-CB 3.48Å; W167-F171 PolarHBondContact O-N 3.23Å
168E97.8Very high97.8Very high152 Ų15285 Ų8571%0.7140%0.399SS*.Hα-helixtrans-59.3-39.1176.3-66.9-171.616400112.3K166 F171 M172K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 3.43Å; E168-F171 PolarHBondContact O-N 2.79Å; E168-M172 WeakPolarHBondContact O-CB 3.48Å; E168-M172 WeakPolarHBondContact O-CG 3.23Å; E168-M172 PolarHBondContact O-N 3.46Å
169F98Very high97.6Very high135 Ų13583.8 Ų83.859%0.59240%0.398SS*.Hα-helixtrans-67.4-41.4176.5-59.4-75.2000112K166 W167 F171 M172 Q173K166-F169 HydrophobicContact CB-CD2 4.49Å; K166-F169 PolarHBondContact O-N 2.96Å; K166-F169 VanDerWaalsContact O-N 3.1Å; W167-F169 VanDerWaalsContact C-N 3.29Å; W167-F169 PolarHBondContact O-N 2.93Å; F169-F171 VanDerWaalsContact C-N 3.33Å; F169-F171 PolarHBondContact O-N 3.31Å; F169-M172 HydrophobicContact CD1-CE 3.55Å; F169-M172 HydrophobicContact CE1-CE 4.04Å; F169-M172 HydrophobicContact CG-CE 4.23Å; F169-M172 PolarHBondContact O-N 3.19Å; F169-Q173 WeakPolarHBondContact O-CB 3.38Å; F169-Q173 PolarHBondContact O-N 3.43Å
170I98.2Very high97.4Very high5 Ų587.2 Ų87.23%0.02642%0.415CS..Hα-helixtrans-59.9-46.3174.7-68.9170.5000110T129 A132 I133 C136 F163 K166 W167 Q173 A174T129-I170 HydrophobicContact CG2-CD1 4.48Å; T129-I170 HydrophobicContact CG2-CG1 4.24Å; A132-I170 HydrophobicContact CB-CD1 4.06Å; A132-I170 HydrophobicContact CB-CG2 4.05Å; I133-I170 HydrophobicContact CG1-CB 4.45Å; I133-I170 HydrophobicContact CG1-CG2 3.92Å; C136-I170 HydrophobicContact CB-CG2 4.46Å; F163-I170 HydrophobicContact CB-CD1 3.7Å; F163-I170 HydrophobicContact CD2-CD1 3.94Å; F163-I170 HydrophobicContact CG-CD1 4Å; K166-I170 PolarHBondContact O-N 3.32Å; W167-I170 HydrophobicContact CE3-CB 4.43Å; W167-I170 HydrophobicContact CE3-CD1 4.06Å; W167-I170 HydrophobicContact CE3-CG2 4.3Å; W167-I170 HydrophobicContact CH2-CG2 4.23Å; W167-I170 HydrophobicContact CZ3-CD1 4.28Å; W167-I170 HydrophobicContact CZ3-CG2 4Å; W167-I170 WeakPolarHBondContact O-CB 3.3Å; W167-I170 PolarHBondContact O-N 3.35Å; I170-Q173 PolarHBondContact O-N 2.89Å; I170-A174 WeakPolarHBondContact O-CB 3.32Å; I170-A174 PolarHBondContact O-N 3.18Å
171F98.3Very high97.2Very high88 Ų8884.6 Ų84.639%0.38640%0.404SS..Hα-helixtrans-63-47178.7-176.3-90.8000112M140 W167 E168 F169 Q173 A174 E175M140-F171 HydrophobicContact CE-CD2 4.49Å; M140-F171 HydrophobicContact CE-CE1 4.17Å; M140-F171 HydrophobicContact CE-CE2 3.74Å; M140-F171 HydrophobicContact CE-CZ 3.55Å; M140-F171 HydrophobicContact SD-CD2 4.46Å; M140-F171 HydrophobicContact SD-CE2 4.09Å; M140-F171 HydrophobicContact SD-CZ 4.49Å; W167-F171 WeakPolarHBondContact O-CB 3.48Å; W167-F171 PolarHBondContact O-N 3.23Å; E168-F171 PolarHBondContact O-N 2.79Å; F169-F171 VanDerWaalsContact C-N 3.33Å; F169-F171 PolarHBondContact O-N 3.31Å; F171-Q173 VanDerWaalsContact C-N 3.31Å; F171-Q173 PolarHBondContact O-N 3.2Å; F171-A174 PolarHBondContact O-N 3.38Å; F171-E175 WeakPolarHBondContact O-CB 3.37Å; F171-E175 PolarHBondContact O-N 3.34Å
172M98Very high96.9Very high100 Ų10084 Ų8449%0.49340%0.402SS..Hα-helixtrans-58.9-42.1176.5-75.6-171.8-68.900111.9E168 F169 E175 A176E168-M172 WeakPolarHBondContact O-CB 3.48Å; E168-M172 WeakPolarHBondContact O-CG 3.23Å; E168-M172 PolarHBondContact O-N 3.46Å; F169-M172 HydrophobicContact CD1-CE 3.55Å; F169-M172 HydrophobicContact CE1-CE 4.04Å; F169-M172 HydrophobicContact CG-CE 4.23Å; F169-M172 PolarHBondContact O-N 3.19Å; M172-E175 PolarHBondContact O-N 3.43Å; M172-A176 WeakPolarHBondContact O-CB 3.49Å; M172-A176 PolarHBondContact O-N 3.35Å
173Q98.2Very high96.8Very high95 Ų9589.3 Ų89.344%0.44441%0.411SS..Hα-helixtrans-67.8-41.8178.6-169.5168.3-13.400111.9I133 F169 I170 F171 A176 Q177I133-Q173 HydrophobicContact CD1-CB 4.34Å; I133-Q173 HydrophobicContact CD1-CG 3.97Å; I133-Q173 HydrophobicContact CG1-CB 4.41Å; I133-Q173 HydrophobicContact CG1-CG 4.44Å; I133-Q173 HydrophobicContact CG2-CG 4.34Å; F169-Q173 WeakPolarHBondContact O-CB 3.38Å; F169-Q173 PolarHBondContact O-N 3.43Å; I170-Q173 PolarHBondContact O-N 2.89Å; F171-Q173 VanDerWaalsContact C-N 3.31Å; F171-Q173 PolarHBondContact O-N 3.2Å; Q173-A176 PolarHBondContact O-N 3.22Å; Q173-Q177 WeakPolarHBondContact O-CG 3.48Å; Q173-Q177 PolarHBondContact O-N 3.29Å; Q173-Q177 VanDerWaalsContact O-N 3.1Å
174A97.8Very high96.6Very high0 Ų090 Ų900%041%0.414CS..Hα-helixtrans-60.9-45.8173.300000111.6I133 C136 K137 M140 I170 F171 A176 Q177 V178I133-A174 HydrophobicContact CG2-CB 4.19Å; C136-A174 HydrophobicContact CB-CB 3.93Å; K137-A174 HydrophobicContact CB-CB 4.13Å; M140-A174 HydrophobicContact SD-CB 4.07Å; I170-A174 WeakPolarHBondContact O-CB 3.32Å; I170-A174 PolarHBondContact O-N 3.18Å; F171-A174 PolarHBondContact O-N 3.38Å; A174-A176 PolarHBondContact O-N 2.82Å; A174-Q177 PolarHBondContact O-N 3.24Å; A174-V178 WeakPolarHBondContact O-CG2 3.42Å; A174-V178 PolarHBondContact O-N 3.24Å
175E97.6Very high96.4Very high73 Ų7391 Ų9134%0.34141%0.41SS..Hα-helixtrans-60.9-43.5178-162.5-163.3-151.100112M140 F171 M172 Q177 V178 K179M140-E175 HydrophobicContact CE-CB 3.74Å; M140-E175 HydrophobicContact CE-CG 3.74Å; F171-E175 WeakPolarHBondContact O-CB 3.37Å; F171-E175 PolarHBondContact O-N 3.34Å; M172-E175 PolarHBondContact O-N 3.43Å; E175-Q177 VanDerWaalsContact C-N 3.32Å; E175-Q177 PolarHBondContact O-N 3.35Å; E175-V178 PolarHBondContact O-N 2.84Å; E175-K179 WeakPolarHBondContact O-CG 3.42Å; E175-K179 PolarHBondContact O-N 3.15Å; E175-K179 IonicContact OE1-NZ 3.41Å; E175-K179 IonicContact OE2-NZ 3.73Å; E175-K179 PolarHBondContact OE2-NZ 2.91Å
176A97.9Very high96.1Very high47 Ų4786.9 Ų86.939%0.38840%0.399SS..Hα-helixtrans-60-42176.500000111.7M172 Q173 A174 K179 I180M172-A176 WeakPolarHBondContact O-CB 3.49Å; M172-A176 PolarHBondContact O-N 3.35Å; Q173-A176 PolarHBondContact O-N 3.22Å; A174-A176 PolarHBondContact O-N 2.82Å; A176-K179 PolarHBondContact O-N 2.87Å; A176-I180 WeakPolarHBondContact O-CG1 3.44Å; A176-I180 PolarHBondContact O-N 2.87Å; A176-I180 VanDerWaalsContact O-N 3.15Å
177Q96.3Very high95.8Very high58 Ų5883.2 Ų83.227%0.27139%0.388SS..Hα-helixtrans-64.5-44.3174.3-70.2-174.418.400111.9K137 Q173 A174 E175 K179 I180 D181K137-Q177 HydrophobicContact CD-CB 3.78Å; Q173-Q177 WeakPolarHBondContact O-CG 3.48Å; Q173-Q177 PolarHBondContact O-N 3.29Å; Q173-Q177 VanDerWaalsContact O-N 3.1Å; A174-Q177 PolarHBondContact O-N 3.24Å; E175-Q177 VanDerWaalsContact C-N 3.32Å; E175-Q177 PolarHBondContact O-N 3.35Å; Q177-K179 VanDerWaalsContact C-N 3.26Å; Q177-K179 PolarHBondContact O-N 3.41Å; Q177-I180 WeakPolarHBondContact O-CB 3.47Å; Q177-I180 PolarHBondContact O-N 2.79Å; Q177-D181 VanDerWaalsContact O-CG 3.31Å; Q177-D181 PolarHBondContact O-N 2.79Å
178V95.5Very high95.6Very high8 Ų884.3 Ų84.35%0.04840%0.396CS..Hα-helixtrans-56.2-41.9174.9174.50000111.3K137 M140 A174 E175 I180 D181 R182K137-V178 HydrophobicContact CB-CG2 4.47Å; K137-V178 HydrophobicContact CG-CG2 3.68Å; M140-V178 HydrophobicContact CB-CG2 4.24Å; M140-V178 HydrophobicContact SD-CG2 4.47Å; A174-V178 WeakPolarHBondContact O-CG2 3.42Å; A174-V178 PolarHBondContact O-N 3.24Å; E175-V178 PolarHBondContact O-N 2.84Å; V178-I180 VanDerWaalsContact C-N 3.31Å; V178-I180 PolarHBondContact O-N 3.29Å; V178-D181 PolarHBondContact O-N 3.39Å; V178-R182 HydrophobicContact CG1-CG 4.36Å; V178-R182 WeakPolarHBondContact O-CB 3.47Å; V178-R182 VanDerWaalsContact O-CG 3.28Å; V178-R182 WeakPolarHBondContact O-CG 3.32Å; V178-R182 PolarHBondContact O-N 2.92Å
179K95.9Very high95.3Very high113 Ų11379.2 Ų79.249%0.49137%0.37SS..Hα-helixtrans-62.8-37.8177.6-72.9169.6-177.3162.30111.8E175 A176 Q177E175-K179 WeakPolarHBondContact O-CG 3.42Å; E175-K179 PolarHBondContact O-N 3.15Å; E175-K179 IonicContact OE1-NZ 3.41Å; E175-K179 IonicContact OE2-NZ 3.73Å; E175-K179 PolarHBondContact OE2-NZ 2.91Å; A176-K179 PolarHBondContact O-N 2.87Å; Q177-K179 VanDerWaalsContact C-N 3.26Å; Q177-K179 PolarHBondContact O-N 3.41Å
180I94.5Very high95Very high80 Ų8076.4 Ų76.441%0.4136%0.358SS..Hα-helixtrans-68.5-47.9175.1-66.3166.6000110.3A176 Q177 V178 R182 K183A176-I180 WeakPolarHBondContact O-CG1 3.44Å; A176-I180 PolarHBondContact O-N 2.87Å; A176-I180 VanDerWaalsContact O-N 3.15Å; Q177-I180 WeakPolarHBondContact O-CB 3.47Å; Q177-I180 PolarHBondContact O-N 2.79Å; V178-I180 VanDerWaalsContact C-N 3.31Å; V178-I180 PolarHBondContact O-N 3.29Å; I180-R182 PolarHBondContact O-N 3.36Å; I180-K183 WeakPolarHBondContact O-CB 3.48Å; I180-K183 PolarHBondContact O-N 3.19Å
181D92.9Very high94.8Very high24 Ų2477.8 Ų77.813%0.12837%0.365CS..Hα-helixtrans-62.4-34.2-178-66-22.9000111.7K137 Q177 V178 K183 K184 R189K137-D181 IonicContact NZ-OD2 2.95Å; Q177-D181 VanDerWaalsContact O-CG 3.31Å; Q177-D181 PolarHBondContact O-N 2.79Å; V178-D181 PolarHBondContact O-N 3.39Å; D181-K183 PolarHBondContact O-N 3.49Å; D181-K184 WeakPolarHBondContact O-CB 3.46Å; D181-K184 PolarHBondContact O-N 3.38Å; D181-K184 VanDerWaalsContact O-N 3.13Å; D181-R189 HydrophobicContact CB-CG 4.48Å; D181-R189 VanDerWaalsContact O-CZ 3.25Å; D181-R189 PolarHBondContact O-NE 2.74Å; D181-R189 PolarHBondContact O-NH2 3.49Å
182R92.4Very high94.6Very high164 Ų16476.3 Ų76.362%0.61936%0.36SS*.THydrogen-bonded Turntrans-60.9-22.3175-79178.3-177.5-169.23.3114.1V178 I180 R189V178-R182 HydrophobicContact CG1-CG 4.36Å; V178-R182 WeakPolarHBondContact O-CB 3.47Å; V178-R182 VanDerWaalsContact O-CG 3.28Å; V178-R182 WeakPolarHBondContact O-CG 3.32Å; V178-R182 PolarHBondContact O-N 2.92Å; I180-R182 PolarHBondContact O-N 3.36Å; R182-R189 PolarHBondContact O-NH2 3.25Å
183K94.9Very high94.5Very high183 Ų18372 Ų7280%0.79634%0.339SS*.THydrogen-bonded Turntrans-80-21.4177.1-61.9178.5179.1-177.90113.4I180 D181I180-K183 WeakPolarHBondContact O-CB 3.48Å; I180-K183 PolarHBondContact O-N 3.19Å; D181-K183 PolarHBondContact O-N 3.49Å
184K94.3Very high94.4Very high62 Ų6268.2 Ų68.227%0.2732%0.323SS..SBendtrans-74.9154.2177.1-65.5174.9167.9-88.10111D181 E188 R189 L192D181-K184 WeakPolarHBondContact O-CB 3.46Å; D181-K184 PolarHBondContact O-N 3.38Å; D181-K184 VanDerWaalsContact O-N 3.13Å; K184-E188 IonicContact NZ-OE1 2.88Å; K184-E188 PolarHBondContact NZ-OE1 3.49Å; K184-R189 HydrophobicContact CB-CB 4.44Å; K184-R189 PolarHBondContact O-NH2 3.28Å; K184-L192 HydrophobicContact CD-CD1 3.5Å; K184-L192 VanDerWaalsContact CD-CD1 3.5Å
185D94.6Very high94.4Very high86 Ų8669.6 Ų69.646%0.4633%0.33SS..  trans-67.7161.6175.581.280.4000111.6T187 E188 R189D185-T187 VanDerWaalsContact C-N 3.25Å; D185-T187 PolarHBondContact O-N 3.34Å; D185-T187 VanDerWaalsContact OD1-CA 3.32Å; D185-T187 WeakPolarHBondContact OD1-CA 3.5Å; D185-T187 WeakPolarHBondContact OD1-CB 3.37Å; D185-T187 PolarHBondContact OD1-N 3.41Å; D185-E188 PolarHBondContact O-N 2.9Å; D185-E188 PolarHBondContact OD1-N 3Å; D185-E188 WeakPolarHBondContact OD2-CB 3.32Å; D185-R189 VanDerWaalsContact O-CB 3.25Å; D185-R189 WeakPolarHBondContact O-CB 3.48Å; D185-R189 PolarHBondContact O-N 2.99Å
186K90.8Very high94.4Very high158 Ų15868 Ų6869%0.68732%0.322SS*.Hα-helixtrans-61.6-33.7-174.3-177177.4-179.81780112.7K190K186-K190 WeakPolarHBondContact O-CG 3.48Å; K186-K190 PolarHBondContact O-N 3.47Å
187T90Very high94.4Very high65 Ų6566.9 Ų66.940%0.39931%0.308SS..Hα-helixtrans-74.4-54.7-179.2-62.40000110P57 D185 R189 K190 I191P57-T187 HydrophobicContact CB-CG2 4.28Å; P57-T187 HydrophobicContact CG-CG2 3.41Å; P57-T187 VanDerWaalsContact CG-CG2 3.41Å; D185-T187 VanDerWaalsContact C-N 3.25Å; D185-T187 PolarHBondContact O-N 3.34Å; D185-T187 VanDerWaalsContact OD1-CA 3.32Å; D185-T187 WeakPolarHBondContact OD1-CA 3.5Å; D185-T187 WeakPolarHBondContact OD1-CB 3.37Å; D185-T187 PolarHBondContact OD1-N 3.41Å; T187-R189 VanDerWaalsContact C-N 3.28Å; T187-R189 PolarHBondContact O-N 3.46Å; T187-K190 WeakPolarHBondContact O-CB 3.43Å; T187-K190 PolarHBondContact O-N 3.23Å; T187-I191 HydrophobicContact CG2-CD1 4.36Å; T187-I191 WeakPolarHBondContact O-CG1 3.46Å; T187-I191 PolarHBondContact O-N 3.01Å
188E92.6Very high94.5Very high75 Ų7564.1 Ų64.135%0.3530%0.295SS..Hα-helixtrans-55.1-46178.6-172.9-162.6172.200111.1K184 D185 K190 I191 L192K184-E188 IonicContact NZ-OE1 2.88Å; K184-E188 PolarHBondContact NZ-OE1 3.49Å; D185-E188 PolarHBondContact O-N 2.9Å; D185-E188 PolarHBondContact OD1-N 3Å; D185-E188 WeakPolarHBondContact OD2-CB 3.32Å; E188-K190 VanDerWaalsContact C-N 3.32Å; E188-K190 PolarHBondContact O-N 3.45Å; E188-I191 PolarHBondContact O-N 3.1Å; E188-I191 VanDerWaalsContact O-N 3.11Å; E188-L192 HydrophobicContact CG-CD1 3.86Å; E188-L192 WeakPolarHBondContact O-CG 3.26Å; E188-L192 PolarHBondContact O-N 3.3Å
189R93.3Very high94.6Very high45 Ų4564.4 Ų64.417%0.1730%0.296CS..Hα-helixtrans-58.4-41.2177.4-166.5-173.6-47.6167.29.3112.7D181 R182 K184 D185 T187 I191 L192 D193D181-R189 HydrophobicContact CB-CG 4.48Å; D181-R189 VanDerWaalsContact O-CZ 3.25Å; D181-R189 PolarHBondContact O-NE 2.74Å; D181-R189 PolarHBondContact O-NH2 3.49Å; R182-R189 PolarHBondContact O-NH2 3.25Å; K184-R189 HydrophobicContact CB-CB 4.44Å; K184-R189 PolarHBondContact O-NH2 3.28Å; D185-R189 VanDerWaalsContact O-CB 3.25Å; D185-R189 WeakPolarHBondContact O-CB 3.48Å; D185-R189 PolarHBondContact O-N 2.99Å; T187-R189 VanDerWaalsContact C-N 3.28Å; T187-R189 PolarHBondContact O-N 3.46Å; R189-I191 VanDerWaalsContact C-N 3.32Å; R189-I191 PolarHBondContact O-N 3.16Å; R189-L192 PolarHBondContact O-N 3.33Å; R189-D193 WeakPolarHBondContact O-CB 3.39Å; R189-D193 PolarHBondContact O-N 2.8Å
190K91.7Very high94.8Very high76 Ų7659.5 Ų59.533%0.3327%0.274SS..Hα-helixtrans-63.7-38.1177.3-81.2-178.9174.7-166.50112.2K186 T187 E188 S194K186-K190 WeakPolarHBondContact O-CG 3.48Å; K186-K190 PolarHBondContact O-N 3.47Å; T187-K190 WeakPolarHBondContact O-CB 3.43Å; T187-K190 PolarHBondContact O-N 3.23Å; E188-K190 VanDerWaalsContact C-N 3.32Å; E188-K190 PolarHBondContact O-N 3.45Å; K190-S194 PolarHBondContact O-N 2.95Å; K190-S194 PolarHBondContact O-OG 3.28Å
191I93Very high94.9Very high34 Ų3456 Ų5617%0.17426%0.256CS..Hα-helixtrans-67.8-50.2178.8-58.4-177.6000109.4P57 T187 E188 R189 D193 S194 Q195P57-I191 HydrophobicContact CG-CD1 4.26Å; T187-I191 HydrophobicContact CG2-CD1 4.36Å; T187-I191 WeakPolarHBondContact O-CG1 3.46Å; T187-I191 PolarHBondContact O-N 3.01Å; E188-I191 PolarHBondContact O-N 3.1Å; E188-I191 VanDerWaalsContact O-N 3.11Å; R189-I191 VanDerWaalsContact C-N 3.32Å; R189-I191 PolarHBondContact O-N 3.16Å; I191-D193 PolarHBondContact O-N 2.88Å; I191-S194 PolarHBondContact O-N 2.83Å; I191-S194 VanDerWaalsContact O-N 3.09Å; I191-S194 PolarHBondContact O-OG 2.88Å; I191-Q195 HydrophobicContact CG2-CG 4.41Å; I191-Q195 WeakPolarHBondContact O-CG 3.33Å; I191-Q195 PolarHBondContact O-N 2.86Å
192L94.9Very high95.2Very high56 Ų5655.2 Ų55.229%0.29325%0.252SS..Hα-helixtrans-61.3-44.5179.9-69.8167.1000112.4K184 E188 R189 S194 Q195 E196K184-L192 HydrophobicContact CD-CD1 3.5Å; K184-L192 VanDerWaalsContact CD-CD1 3.5Å; E188-L192 HydrophobicContact CG-CD1 3.86Å; E188-L192 WeakPolarHBondContact O-CG 3.26Å; E188-L192 PolarHBondContact O-N 3.3Å; R189-L192 PolarHBondContact O-N 3.33Å; L192-S194 PolarHBondContact O-N 3.3Å; L192-Q195 PolarHBondContact O-N 3.25Å; L192-E196 WeakPolarHBondContact O-CB 3.22Å; L192-E196 PolarHBondContact O-N 2.82Å
193D95Very high95.4Very high10 Ų1048.2 Ų48.25%0.05323%0.226CC..Hα-helixtrans-56.5-40.5174.7-68.7-18.5000111.2R145 L146 R189 I191 R197R145-D193 IonicContact CZ-OD2 2.73Å; R145-D193 IonicContact NH1-OD2 2.89Å; R145-D193 PolarHBondContact NH1-OD2 2.88Å; R145-D193 IonicContact NH2-OD2 3.26Å; R145-D193 PolarHBondContact NH2-OD2 3.02Å; L146-D193 HydrophobicContact CD2-CB 4.24Å; R189-D193 WeakPolarHBondContact O-CB 3.39Å; R189-D193 PolarHBondContact O-N 2.8Å; I191-D193 PolarHBondContact O-N 2.88Å; D193-R197 WeakPolarHBondContact O-CB 3.4Å; D193-R197 PolarHBondContact O-N 2.83Å
194S95.9Very high95.6Very high15 Ų1542 Ų4211%0.10520%0.198CC..Hα-helixtrans-73.7-34.2-179.770.80000113.3F95 K190 I191 L192 A198F95-S194 WeakPolarHBondContact CE2-O 3.38Å; K190-S194 PolarHBondContact O-N 2.95Å; K190-S194 PolarHBondContact O-OG 3.28Å; I191-S194 PolarHBondContact O-N 2.83Å; I191-S194 VanDerWaalsContact O-N 3.09Å; I191-S194 PolarHBondContact O-OG 2.88Å; L192-S194 PolarHBondContact O-N 3.3Å; S194-A198 WeakPolarHBondContact O-CB 2.99Å; S194-A198 PolarHBondContact O-N 3.28Å
195Q97.9Very high95.7Very high30 Ų3040.6 Ų40.614%0.1420%0.195CC..Hα-helixtrans-68.6-44.4175.6-77-179.9-24.900111.4F95 Q114 F118 I191 L192 A198 F199F95-Q195 HydrophobicContact CE1-CG 4.23Å; F95-Q195 HydrophobicContact CZ-CB 4.45Å; F95-Q195 HydrophobicContact CZ-CG 3.85Å; Q114-Q195 PolarHBondContact NE2-O 2.83Å; Q114-Q195 VanDerWaalsContact OE1-CB 3.29Å; F118-Q195 HydrophobicContact CD2-CB 4.28Å; F118-Q195 HydrophobicContact CE2-CB 4.14Å; I191-Q195 HydrophobicContact CG2-CG 4.41Å; I191-Q195 WeakPolarHBondContact O-CG 3.33Å; I191-Q195 PolarHBondContact O-N 2.86Å; L192-Q195 PolarHBondContact O-N 3.25Å; Q195-A198 PolarHBondContact O-N 2.86Å; Q195-F199 PolarHBondContact O-N 2.85Å
196E97.9Very high95.8Very high39 Ų3937.9 Ų37.918%0.18218%0.182CC..Hα-helixtrans-65.1-39.2175.4-170.2-178.4-160.900111.4Y134 K137 L192 F199 W200Y134-E196 HydrophobicContact CD2-CG 3.81Å; Y134-E196 HydrophobicContact CE2-CB 4.45Å; Y134-E196 HydrophobicContact CE2-CG 3.85Å; K137-E196 WeakPolarHBondContact CE-OE2 3.34Å; K137-E196 IonicContact NZ-OE1 3.77Å; K137-E196 PolarHBondContact NZ-OE1 2.71Å; K137-E196 IonicContact NZ-OE2 2.69Å; K137-E196 PolarHBondContact NZ-OE2 3.14Å; L192-E196 WeakPolarHBondContact O-CB 3.22Å; L192-E196 PolarHBondContact O-N 2.82Å; E196-F199 WeakPolarHBondContact O-CB 3.2Å; E196-F199 PolarHBondContact O-N 3.45Å; E196-W200 PolarHBondContact O-N 3.13Å; E196-W200 VanDerWaalsContact O-N 3.16Å
197R98.1Very high96.1Very high24 Ų2435 Ų359%0.09118%0.179CC..Hα-helixtrans-57.4-51.1170.9-178.4-170.661.986.6-12.9111.6P96 I97 D99 Y134 D193 F199 W200 D201P96-R197 PolarHBondContact O-NH2 3.02Å; I97-R197 PolarHBondContact O-NH2 2.7Å; D99-R197 PolarHBondContact O-NH1 3.09Å; D99-R197 PolarHBondContact O-NH2 2.93Å; Y134-R197 VanDerWaalsContact OH-CA 3.27Å; Y134-R197 WeakPolarHBondContact OH-CA 3.36Å; Y134-R197 WeakPolarHBondContact OH-CB 3.49Å; D193-R197 WeakPolarHBondContact O-CB 3.4Å; D193-R197 PolarHBondContact O-N 2.83Å; R197-F199 VanDerWaalsContact C-N 3.26Å; R197-F199 PolarHBondContact O-N 2.87Å; R197-W200 CarbonylContact O-C 3.44Å; R197-W200 WeakPolarHBondContact O-CA 3.4Å; R197-W200 PolarHBondContact O-N 2.9Å; R197-D201 IonicContact CZ-OD2 3.8Å; R197-D201 IonicContact NH1-OD2 2.62Å; R197-D201 PolarHBondContact NH1-OD2 3.41Å; R197-D201 VanDerWaalsContact O-CG 3.32Å; R197-D201 PolarHBondContact O-N 3.33Å
198A98.4Very high96.4Very high0 Ų036.1 Ų36.10%020%0.203CC..Hα-helixtrans-62.5-33.3-179.300000113F95 S194 Q195 W200 D201 V202F95-A198 HydrophobicContact CB-CB 3.63Å; F95-A198 HydrophobicContact CD1-CB 3.37Å; F95-A198 HydrophobicContact CD2-CB 3.55Å; F95-A198 HydrophobicContact CE1-CB 3.8Å; F95-A198 HydrophobicContact CE2-CB 3.96Å; F95-A198 HydrophobicContact CG-CB 3.22Å; F95-A198 HydrophobicContact CZ-CB 4.07Å; S194-A198 WeakPolarHBondContact O-CB 2.99Å; S194-A198 PolarHBondContact O-N 3.28Å; Q195-A198 PolarHBondContact O-N 2.86Å; A198-W200 VanDerWaalsContact C-N 3.34Å; A198-D201 PolarHBondContact O-N 2.95Å; A198-V202 PolarHBondContact O-N 2.95Å
199F98.6Very high96.6Very high13 Ų1335 Ų356%0.05720%0.203CC..Hα-helixtrans-59.5-45.6170.9169.3-95.1000111.4F118 W124 P126 Q195 E196 R197 V202 H203F118-F199 HydrophobicContact CB-CB 4.34Å; F118-F199 HydrophobicContact CB-CD2 4.05Å; F118-F199 HydrophobicContact CD1-CB 3.83Å; F118-F199 HydrophobicContact CD1-CD1 4.48Å; F118-F199 AromaticContact CD1-CD2 3.47Å; F118-F199 HydrophobicContact CD1-CD2 3.47Å; F118-F199 VanDerWaalsContact CD1-CD2 3.47Å; F118-F199 HydrophobicContact CD1-CE2 4.12Å; F118-F199 AromaticContact CD1-CG 3.66Å; F118-F199 HydrophobicContact CD1-CG 3.66Å; F118-F199 HydrophobicContact CE1-CB 4.25Å; F118-F199 HydrophobicContact CE1-CD2 4.27Å; F118-F199 HydrophobicContact CE1-CG 4.1Å; F118-F199 HydrophobicContact CG-CB 4.07Å; F118-F199 HydrophobicContact CG-CD2 4.11Å; F118-F199 HydrophobicContact CG-CG 4.33Å; W124-F199 HydrophobicContact CB-CE2 4.03Å; W124-F199 HydrophobicContact CB-CZ 4.36Å; W124-F199 AromaticContact CD1-CE2 3.93Å; W124-F199 AromaticContact CD2-CE2 3.81Å; W124-F199 HydrophobicContact CD2-CE2 3.81Å; W124-F199 HydrophobicContact CD2-CZ 4.14Å; W124-F199 HydrophobicContact CE3-CE2 4.32Å; W124-F199 HydrophobicContact CE3-CZ 4.18Å; W124-F199 AromaticContact CG-CE2 3.66Å; W124-F199 HydrophobicContact CG-CE2 3.66Å; W124-F199 HydrophobicContact CG-CZ 4.23Å; P126-F199 HydrophobicContact CB-CE1 4.16Å; P126-F199 HydrophobicContact CB-CZ 3.99Å; P126-F199 HydrophobicContact CG-CE1 4.24Å; P126-F199 HydrophobicContact CG-CZ 3.9Å; Q195-F199 PolarHBondContact O-N 2.85Å; E196-F199 WeakPolarHBondContact O-CB 3.2Å; E196-F199 PolarHBondContact O-N 3.45Å; R197-F199 VanDerWaalsContact C-N 3.26Å; R197-F199 PolarHBondContact O-N 2.87Å; F199-V202 PolarHBondContact O-N 3.49Å; F199-H203 AromaticContact CD2-CE1 3.59Å; F199-H203 AromaticContact CD2-ND1 3.72Å; F199-H203 AromaticContact CE2-CE1 3.2Å; F199-H203 WeakPolarHBondContact CE2-CE1 3.39Å; F199-H203 AromaticContact CE2-ND1 3.54Å; F199-H203 AromaticContact CE2-NE2 3.96Å; F199-H203 AromaticContact CZ-CE1 3.73Å; F199-H203 AromaticContact CZ-ND1 3.74Å; F199-H203 PolarHBondContact O-N 2.84Å; F199-H203 PolarHBondContact O-ND1 3.29Å
200W98.4Very high96.7Very high10 Ų1038.8 Ų38.84%0.03823%0.231CC..Hα-helixtrans-71.7-30.5177.6-72.9113.7000113.4P126 D130 Y131 Y134 E196 R197 A198 V202 H203 R204P126-W200 HydrophobicContact CB-CH2 3.68Å; P126-W200 HydrophobicContact CB-CZ3 3.85Å; P126-W200 HydrophobicContact CG-CH2 4.39Å; P126-W200 HydrophobicContact CG-CZ3 4.06Å; D130-W200 HydrophobicContact CB-CH2 3.8Å; D130-W200 HydrophobicContact CB-CZ2 3.91Å; Y131-W200 VanDerWaalsContact CA-CH2 3.47Å; Y131-W200 AromaticContact CD2-CD2 3.54Å; Y131-W200 HydrophobicContact CD2-CD2 3.54Å; Y131-W200 AromaticContact CD2-CE3 3.39Å; Y131-W200 HydrophobicContact CD2-CE3 3.39Å; Y131-W200 HydrophobicContact CD2-CG 4.06Å; Y131-W200 HydrophobicContact CD2-CH2 4.23Å; Y131-W200 HydrophobicContact CD2-CZ2 4.36Å; Y131-W200 AromaticContact CD2-CZ3 3.78Å; Y131-W200 HydrophobicContact CD2-CZ3 3.78Å; Y131-W200 HydrophobicContact CE2-CB 4.24Å; Y131-W200 HydrophobicContact CE2-CD2 4.12Å; Y131-W200 HydrophobicContact CE2-CE3 4.07Å; Y131-W200 HydrophobicContact CE2-CG 4.21Å; Y131-W200 HydrophobicContact CG-CD2 4.48Å; Y131-W200 AromaticContact CG-CE3 3.99Å; Y131-W200 HydrophobicContact CG-CE3 3.99Å; Y131-W200 HydrophobicContact CG-CH2 4.32Å; Y131-W200 AromaticContact CG-CZ3 3.92Å; Y131-W200 HydrophobicContact CG-CZ3 3.92Å; Y131-W200 VanDerWaalsContact N-CH2 3.29Å; Y134-W200 HydrophobicContact CD1-CB 4.4Å; Y134-W200 AromaticContact CD1-CD1 3.38Å; Y134-W200 HydrophobicContact CD1-CD2 4.35Å; Y134-W200 AromaticContact CD1-CG 3.8Å; Y134-W200 HydrophobicContact CD1-CG 3.8Å; Y134-W200 AromaticContact CD1-NE1 3.7Å; Y134-W200 AromaticContact CD2-CD1 3.43Å; Y134-W200 VanDerWaalsContact CD2-CD1 3.43Å; Y134-W200 AromaticContact CD2-NE1 3.5Å; Y134-W200 HydrophobicContact CE1-CB 4.07Å; Y134-W200 AromaticContact CE1-CD1 3.58Å; Y134-W200 AromaticContact CE1-CG 3.91Å; Y134-W200 HydrophobicContact CE1-CG 3.91Å; Y134-W200 AromaticContact CE2-CD1 3.61Å; Y134-W200 AromaticContact CG-CD1 3.3Å; Y134-W200 HydrophobicContact CG-CG 4.13Å; Y134-W200 AromaticContact CG-NE1 3.23Å; Y134-W200 AromaticContact CZ-CD1 3.67Å; E196-W200 PolarHBondContact O-N 3.13Å; E196-W200 VanDerWaalsContact O-N 3.16Å; R197-W200 CarbonylContact O-C 3.44Å; R197-W200 WeakPolarHBondContact O-CA 3.4Å; R197-W200 PolarHBondContact O-N 2.9Å; A198-W200 VanDerWaalsContact C-N 3.34Å; W200-V202 PolarHBondContact O-N 3.03Å; W200-H203 HydrophobicContact CE3-CB 4.34Å; W200-H203 PolarHBondContact O-N 3.41Å; W200-R204 HydrophobicContact CE3-CG 3.87Å; W200-R204 HydrophobicContact CZ3-CG 4.15Å; W200-R204 CarbonylContact O-C 3.56Å; W200-R204 WeakPolarHBondContact O-CA 3.35Å; W200-R204 PolarHBondContact O-N 3.42Å
201D98.4Very high96.8Very high6 Ų637 Ų373%0.03223%0.225CC..Hα-helixtrans-63.7-24.7174.5-65.7-28.7000112.5H100 L102 R197 A198 P205H100-D201 IonicContact CE1-OD1 2.84Å; H100-D201 IonicContact CG-OD1 3.2Å; H100-D201 IonicContact ND1-OD1 3.69Å; H100-D201 PolarHBondContact ND1-OD1 2.9Å; H100-D201 IonicContact ND1-OD2 3.93Å; L102-D201 HydrophobicContact CD1-CB 3.9Å; L102-D201 HydrophobicContact CD2-CB 4.03Å; L102-D201 HydrophobicContact CG-CB 3.94Å; R197-D201 IonicContact CZ-OD2 3.8Å; R197-D201 IonicContact NH1-OD2 2.62Å; R197-D201 PolarHBondContact NH1-OD2 3.41Å; R197-D201 VanDerWaalsContact O-CG 3.32Å; R197-D201 PolarHBondContact O-N 3.33Å; A198-D201 PolarHBondContact O-N 2.95Å; D201-P205 VanDerWaalsContact O-CA 3.25Å; D201-P205 WeakPolarHBondContact O-CA 3.46Å; D201-P205 WeakPolarHBondContact O-CB 3.24Å
202V98Very high96.9Very high8 Ų836.6 Ų36.65%0.04822%0.224CC..Hα-helixtrans-77.3-48.7170.7175.40000111.5G92 L102 A198 F199 W200 T213G92-V202 VanDerWaalsContact CA-CG2 3.45Å; L102-V202 HydrophobicContact CD1-CB 4.48Å; L102-V202 HydrophobicContact CD1-CG2 3.49Å; L102-V202 VanDerWaalsContact CD1-CG2 3.49Å; A198-V202 PolarHBondContact O-N 2.95Å; F199-V202 PolarHBondContact O-N 3.49Å; W200-V202 PolarHBondContact O-N 3.03Å; V202-T213 HydrophobicContact CG1-CG2 3.86Å
203H97.6Very high96.7Very high17 Ų1737 Ų378%0.07923%0.229CC..Hα-helixtrans-87.3-17.8-169.4-64.686.7000113.9P126 F199 W200P126-H203 VanDerWaalsContact CD-CD2 3.43Å; P126-H203 WeakPolarHBondContact CD-CD2 3.5Å; P126-H203 HydrophobicContact CG-CB 3.76Å; P126-H203 VanDerWaalsContact CG-CD2 3.43Å; P126-H203 WeakPolarHBondContact CG-CD2 3.29Å; F199-H203 AromaticContact CD2-CE1 3.59Å; F199-H203 AromaticContact CD2-ND1 3.72Å; F199-H203 AromaticContact CE2-CE1 3.2Å; F199-H203 WeakPolarHBondContact CE2-CE1 3.39Å; F199-H203 AromaticContact CE2-ND1 3.54Å; F199-H203 AromaticContact CE2-NE2 3.96Å; F199-H203 AromaticContact CZ-CE1 3.73Å; F199-H203 AromaticContact CZ-ND1 3.74Å; F199-H203 PolarHBondContact O-N 2.84Å; F199-H203 PolarHBondContact O-ND1 3.29Å; W200-H203 HydrophobicContact CE3-CB 4.34Å; W200-H203 PolarHBondContact O-N 3.41Å
204R97.6Very high96.5Very high54 Ų5443.4 Ų43.420%0.20426%0.258CS..SBendtrans-139.564.2177.7-62.6-64.6-176.8-75.3-3.9108.2P126 N128 Y131 W200P126-R204 PolarHBondContact O-NH2 2.86Å; P126-R204 VanDerWaalsContact O-NH2 3.11Å; N128-R204 PolarHBondContact OD1-NH2 2.99Å; Y131-R204 HydrophobicContact CD1-CG 3.77Å; Y131-R204 HydrophobicContact CD2-CG 4.06Å; Y131-R204 HydrophobicContact CE1-CB 3.99Å; Y131-R204 HydrophobicContact CE1-CG 3.75Å; Y131-R204 HydrophobicContact CE2-CB 4.07Å; Y131-R204 HydrophobicContact CE2-CG 4.05Å; Y131-R204 HydrophobicContact CG-CG 3.95Å; W200-R204 HydrophobicContact CE3-CG 3.87Å; W200-R204 HydrophobicContact CZ3-CG 4.15Å; W200-R204 CarbonylContact O-C 3.56Å; W200-R204 WeakPolarHBondContact O-CA 3.35Å; W200-R204 PolarHBondContact O-N 3.42Å
205P97.2Very high96.1Very high31 Ų3145.4 Ų45.420%0.20127%0.267CS..PPolyproline II helixtrans-64.6157.2-170.328.1-36.1000112.5D201 C209 N211D201-P205 VanDerWaalsContact O-CA 3.25Å; D201-P205 WeakPolarHBondContact O-CA 3.46Å; D201-P205 WeakPolarHBondContact O-CB 3.24Å; P205-C209 HydrophobicContact CB-CB 4.17Å; P205-N211 HydrophobicContact CG-CB 4.14Å
206V97.3Very high95.6Very high30 Ų3047.2 Ų47.218%0.18228%0.277CS..PPolyproline II helixtrans-52.8135.2171.7-1770000109.5H100 V101 Y151 G208 C209H100-V206 HydrophobicContact CB-CG2 3.55Å; V101-V206 HydrophobicContact CG2-CB 4.46Å; V101-V206 HydrophobicContact CG2-CG2 4.2Å; Y151-V206 HydrophobicContact CE1-CG1 4.43Å; Y151-V206 HydrophobicContact CE1-CG2 3.99Å; V206-G208 PolarHBondContact O-N 3.05Å; V206-C209 VanDerWaalsContact O-CB 3.26Å; V206-C209 WeakPolarHBondContact O-CB 3.44Å; V206-C209 PolarHBondContact O-N 3.07Å
207P97.3Very high95.1Very high98 Ų9851.8 Ų51.864%0.63630%0.302SS*.THydrogen-bonded Turntrans-52.1130.6177.2-28.335.3000112.5Y151Y151-P207 HydrophobicContact CD2-CG 4.44Å; Y151-P207 HydrophobicContact CG-CG 4.27Å
208G95.6Very high94.4Very high87 Ų8759 Ų5990%0.89733%0.329SS*.THydrogen-bonded Turntrans94.3-17.1-175.800000114.5V206V206-G208 PolarHBondContact O-N 3.05Å
209C96.1Very high93.7Very high51 Ų5162.1 Ų62.135%0.34534%0.343SS..SBendtrans-75.9149.4170.2-68.30000111.3P205 V206 N211P205-C209 HydrophobicContact CB-CB 4.17Å; V206-C209 VanDerWaalsContact O-CB 3.26Å; V206-C209 WeakPolarHBondContact O-CB 3.44Å; V206-C209 PolarHBondContact O-N 3.07Å; C209-N211 PolarHBondContact O-N 3Å
210V95.3Very high92.9Very high125 Ų12563 Ų6376%0.75835%0.35SS*.  trans-68.2129.7174.4178.60000109.4T212V210-T212 PolarHBondContact O-N 3.26Å
211N95.2Very high91.9Very high40 Ų4071.3 Ų71.321%0.21438%0.382CS..  trans-81.5102.8172.4-175.9-2000110.2P205 C209 T213 E214P205-N211 HydrophobicContact CG-CB 4.14Å; C209-N211 PolarHBondContact O-N 3Å; N211-T213 PolarHBondContact O-N 3.23Å; N211-T213 WeakPolarHBondContact OD1-CB 3.26Å; N211-T213 PolarHBondContact OD1-N 2.99Å; N211-T213 VanDerWaalsContact OD1-N 3.13Å; N211-T213 PolarHBondContact OD1-OG1 3.48Å; N211-E214 HydrophobicContact CB-CG 3.96Å; N211-E214 WeakPolarHBondContact CB-OE1 3.47Å; N211-E214 PolarHBondContact ND2-OE1 2.66Å; N211-E214 PolarHBondContact O-N 3.13Å
212T94.4Very high90.9Very high25 Ų2577.3 Ų77.315%0.15340%0.404CS..THydrogen-bonded Turntrans-71.2-13.6-177.450.30000113.9A90 V210 E214A90-T212 HydrophobicContact CB-CG2 3.87Å; A90-T212 WeakPolarHBondContact O-CG2 3.47Å; A90-T212 PolarHBondContact O-OG1 3.12Å; V210-T212 PolarHBondContact O-N 3.26Å; T212-E214 VanDerWaalsContact C-N 3.33Å
213T91.8Very high89.7Confident64 Ų6480.8 Ų80.839%0.39342%0.422SS..THydrogen-bonded Turntrans-81.7-12.1176.471.70000113.1V202 N211V202-T213 HydrophobicContact CG1-CG2 3.86Å; N211-T213 PolarHBondContact O-N 3.23Å; N211-T213 WeakPolarHBondContact OD1-CB 3.26Å; N211-T213 PolarHBondContact OD1-N 2.99Å; N211-T213 VanDerWaalsContact OD1-N 3.13Å; N211-T213 PolarHBondContact OD1-OG1 3.48Å
214E90.7Very high88.5Confident144 Ų14488.8 Ų88.867%0.67346%0.456SS*.  trans-69.6132.2177.5-71.7178.2-166.500111.7N211 T212N211-E214 HydrophobicContact CB-CG 3.96Å; N211-E214 WeakPolarHBondContact CB-OE1 3.47Å; N211-E214 PolarHBondContact ND2-OE1 2.66Å; N211-E214 PolarHBondContact O-N 3.13Å; T212-E214 VanDerWaalsContact C-N 3.33Å
215M86.4Confident87.1Confident58 Ų5889.1 Ų89.129%0.28646%0.462SS..  trans-115.2137.6-178.7-178.9163.855.800111.2P21 I217 K219 C220 L223P21-M215 HydrophobicContact CB-SD 4.47Å; P21-M215 HydrophobicContact CG-SD 4.01Å; M215-I217 PolarHBondContact O-N 2.91Å; M215-K219 HydrophobicContact CG-CB 3.55Å; M215-K219 HydrophobicContact CG-CD 4.15Å; M215-K219 HydrophobicContact SD-CB 3.73Å; M215-C220 HydrophobicContact CE-CB 4.31Å; M215-C220 VanDerWaalsContact CE-SG 3.51Å; M215-L223 HydrophobicContact CE-CD2 4.15Å
216D88.1Confident85.4Confident67 Ų6790.4 Ų90.436%0.35847%0.47SS..  trans-53.5132.7175.1-179.4-54.6000110.1R218 K219 C220D216-R218 PolarHBondContact O-N 3.02Å; D216-R218 WeakPolarHBondContact OD1-CA 3.38Å; D216-R218 WeakPolarHBondContact OD1-CB 3.39Å; D216-R218 WeakPolarHBondContact OD1-CG 3.48Å; D216-R218 PolarHBondContact OD1-N 2.93Å; D216-R218 IonicContact OD1-NE 2.68Å; D216-R218 PolarHBondContact OD1-NE 2.83Å; D216-R218 IonicContact OD2-CZ 3.36Å; D216-R218 IonicContact OD2-NE 3.76Å; D216-R218 PolarHBondContact OD2-NE 3.48Å; D216-R218 IonicContact OD2-NH2 2.87Å; D216-R218 PolarHBondContact OD2-NH2 3.22Å; D216-K219 HydrophobicContact CB-CD 4.33Å; D216-K219 HydrophobicContact CB-CG 4.37Å; D216-K219 WeakPolarHBondContact O-CA 3.38Å; D216-K219 VanDerWaalsContact O-CB 3.29Å; D216-K219 WeakPolarHBondContact O-CB 3.4Å; D216-K219 PolarHBondContact O-N 2.76Å; D216-C220 PolarHBondContact O-N 3.45Å; D216-C220 PolarHBondContact O-SG 3.04Å
217I86.6Confident83.9Confident136 Ų13696.6 Ų96.670%0.69750%0.497SS*.Hα-helixtrans-54.5-30.6-177-169.559.5000113.4M215 C220 R221M215-I217 PolarHBondContact O-N 2.91Å; I217-C220 HydrophobicContact CD1-CB 4.48Å; I217-C220 PolarHBondContact O-N 2.95Å; I217-R221 WeakPolarHBondContact O-CB 3.47Å; I217-R221 PolarHBondContact O-N 2.81Å
218R83.6Confident81.9Confident176 Ų17698.8 Ų98.866%0.66450%0.497SS*.Hα-helixtrans-70.5-35.2175.3-60.8175.6-75.6-164.9-4.1111.7D216 R222D216-R218 PolarHBondContact O-N 3.02Å; D216-R218 WeakPolarHBondContact OD1-CA 3.38Å; D216-R218 WeakPolarHBondContact OD1-CB 3.39Å; D216-R218 WeakPolarHBondContact OD1-CG 3.48Å; D216-R218 PolarHBondContact OD1-N 2.93Å; D216-R218 IonicContact OD1-NE 2.68Å; D216-R218 PolarHBondContact OD1-NE 2.83Å; D216-R218 IonicContact OD2-CZ 3.36Å; D216-R218 IonicContact OD2-NE 3.76Å; D216-R218 PolarHBondContact OD2-NE 3.48Å; D216-R218 IonicContact OD2-NH2 2.87Å; D216-R218 PolarHBondContact OD2-NH2 3.22Å; R218-R222 WeakPolarHBondContact O-CG 3.5Å; R218-R222 PolarHBondContact O-N 3Å
219K84.3Confident79.9Confident65 Ų6599.2 Ų99.228%0.28348%0.482SS..Hα-helixtrans-68.2-45.5171.8-74.2177.5171-172.30110.3P21 N22 M215 D216 R221 R222 L223P21-K219 HydrophobicContact CB-CB 4.06Å; P21-K219 HydrophobicContact CB-CD 3.99Å; P21-K219 HydrophobicContact CB-CG 3.95Å; P21-K219 HydrophobicContact CG-CB 4.06Å; P21-K219 HydrophobicContact CG-CG 4.47Å; N22-K219 PolarHBondContact OD1-NZ 2.83Å; M215-K219 HydrophobicContact CG-CB 3.55Å; M215-K219 HydrophobicContact CG-CD 4.15Å; M215-K219 HydrophobicContact SD-CB 3.73Å; D216-K219 HydrophobicContact CB-CD 4.33Å; D216-K219 HydrophobicContact CB-CG 4.37Å; D216-K219 WeakPolarHBondContact O-CA 3.38Å; D216-K219 VanDerWaalsContact O-CB 3.29Å; D216-K219 WeakPolarHBondContact O-CB 3.4Å; D216-K219 PolarHBondContact O-N 2.76Å; K219-R221 VanDerWaalsContact C-N 3.32Å; K219-R221 PolarHBondContact O-N 3.12Å; K219-R222 PolarHBondContact O-N 3.31Å; K219-L223 PolarHBondContact O-N 3.33Å
220C82.1Confident77.9Confident32 Ų32103.4 Ų103.422%0.21649%0.494CS..Hα-helixtrans-56.6-44174.8-58.50000112.5M215 D216 I217 R222 L223 K224M215-C220 HydrophobicContact CE-CB 4.31Å; M215-C220 VanDerWaalsContact CE-SG 3.51Å; D216-C220 PolarHBondContact O-N 3.45Å; D216-C220 PolarHBondContact O-SG 3.04Å; I217-C220 HydrophobicContact CD1-CB 4.48Å; I217-C220 PolarHBondContact O-N 2.95Å; C220-R222 PolarHBondContact O-N 3.29Å; C220-L223 PolarHBondContact O-N 3.1Å; C220-K224 WeakPolarHBondContact O-CG 3.43Å; C220-K224 PolarHBondContact O-N 3.33Å; C220-K224 VanDerWaalsContact O-N 3.14Å
221R77.4Confident75.7Confident184 Ų184106.2 Ų106.269%0.69450%0.496SS*.Hα-helixtrans-64.5-39.2178.9-174178.9-178.9-132.63.3112.5I217 K219 K224 N225I217-R221 WeakPolarHBondContact O-CB 3.47Å; I217-R221 PolarHBondContact O-N 2.81Å; K219-R221 VanDerWaalsContact C-N 3.32Å; K219-R221 PolarHBondContact O-N 3.12Å; R221-K224 PolarHBondContact O-N 3.11Å; R221-N225 PolarHBondContact O-N 2.93Å
222R76.3Confident73.3Confident132 Ų132108 Ų10850%0.49851%0.512SS..Hα-helixtrans-65.4-44.6177.4-76.3-173.4-70.1158.8-4.5111.4R218 K219 C220 K224 N225 V229R218-R222 WeakPolarHBondContact O-CG 3.5Å; R218-R222 PolarHBondContact O-N 3Å; K219-R222 PolarHBondContact O-N 3.31Å; C220-R222 PolarHBondContact O-N 3.29Å; R222-K224 VanDerWaalsContact C-N 3.3Å; R222-K224 PolarHBondContact O-N 3.26Å; R222-N225 CarbonylContact O-C 3.58Å; R222-N225 PolarHBondContact O-N 2.98Å; R222-N225 VanDerWaalsContact O-N 3.15Å; R222-V229 HydrophobicContact CG-CG2 4.08Å
223L73.6Confident71.1Confident81 Ų81113.6 Ų113.642%0.42455%0.546SS..Hα-helixtrans-59.9-40.5177.9-171.165.9000111.9M215 K219 C220 N225M215-L223 HydrophobicContact CE-CD2 4.15Å; K219-L223 PolarHBondContact O-N 3.33Å; C220-L223 PolarHBondContact O-N 3.1Å; L223-N225 VanDerWaalsContact C-N 3.33Å; L223-N225 PolarHBondContact O-N 3Å
224K72.6Confident68.9Low184 Ų184120.3 Ų120.380%0.857%0.565SS**THydrogen-bonded Turntrans-77.5-12.2178.9-68.1-175.6179.3-173.40114.6C220 R221 R222C220-K224 WeakPolarHBondContact O-CG 3.43Å; C220-K224 PolarHBondContact O-N 3.33Å; C220-K224 VanDerWaalsContact O-N 3.14Å; R221-K224 PolarHBondContact O-N 3.11Å; R222-K224 VanDerWaalsContact C-N 3.3Å; R222-K224 PolarHBondContact O-N 3.26Å
225N67.4Low66.4Low61 Ų61116.2 Ų116.233%0.32656%0.562SS.*  trans-149.262.9-174.4-145.8-22.8000113.4R221 R222 L223 Q227 K228R221-N225 PolarHBondContact O-N 2.93Å; R222-N225 CarbonylContact O-C 3.58Å; R222-N225 PolarHBondContact O-N 2.98Å; R222-N225 VanDerWaalsContact O-N 3.15Å; L223-N225 VanDerWaalsContact C-N 3.33Å; L223-N225 PolarHBondContact O-N 3Å; N225-Q227 PolarHBondContact O-N 3.33Å; N225-K228 VanDerWaalsContact ND2-CD 3.34Å; N225-K228 WeakPolarHBondContact ND2-CD 3.43Å; N225-K228 VanDerWaalsContact ND2-CE 3.31Å; N225-K228 WeakPolarHBondContact ND2-CE 3.43Å; N225-K228 PolarHBondContact O-N 3.05Å
226P62.4Low64.5Low59 Ų59120 Ų12038%0.38359%0.588SS.*Hα-helixtrans-60.1-30.7-175.520.3-30000112.8K228 V229P226-K228 PolarHBondContact O-N 3.5Å; P226-V229 PolarHBondContact O-N 3.03Å
227Q63.9Low62.2Low160 Ų160122.6 Ų122.675%0.74861%0.606SS**Hα-helixtrans-71.4-25.7-178-61.5-161.8-3.300114.6N225 V229N225-Q227 PolarHBondContact O-N 3.33Å; Q227-V229 VanDerWaalsContact C-N 3.31Å; Q227-V229 PolarHBondContact O-N 3.29Å
228K56.5Low60.3Low144 Ų144123.7 Ų123.763%0.62661%0.614SS**Hα-helixtrans-76.3-17.3179.5-76.1-170.6-175179.20113.8N225 P226 K230N225-K228 VanDerWaalsContact ND2-CD 3.34Å; N225-K228 WeakPolarHBondContact ND2-CD 3.43Å; N225-K228 VanDerWaalsContact ND2-CE 3.31Å; N225-K228 WeakPolarHBondContact ND2-CE 3.43Å; N225-K228 PolarHBondContact O-N 3.05Å; P226-K228 PolarHBondContact O-N 3.5Å; K228-K230 VanDerWaalsContact C-N 3.31Å
229V54.2Low58.1Low95 Ų95122.9 Ų122.958%0.57662%0.617SS**Hα-helixtrans-77.6-22.1178.7-172.10000111.3R222 P226 Q227R222-V229 HydrophobicContact CG-CG2 4.08Å; P226-V229 PolarHBondContact O-N 3.03Å; Q227-V229 VanDerWaalsContact C-N 3.31Å; Q227-V229 PolarHBondContact O-N 3.29Å
230K52.2Low55.9Low139 Ų139125 Ų12560%0.60464%0.636SS**SBendtrans-77-15.9179.8-67.8179.7176.8172.60113.9E17 K228 S232E17-K230 VanDerWaalsContact CD-NZ 3.29Å; E17-K230 WeakPolarHBondContact OE1-CE 3.28Å; E17-K230 IonicContact OE1-NZ 2.8Å; E17-K230 PolarHBondContact OE1-NZ 3.13Å; E17-K230 IonicContact OE2-NZ 2.71Å; E17-K230 PolarHBondContact OE2-NZ 3.28Å; K228-K230 VanDerWaalsContact C-N 3.31Å; K230-S232 PolarHBondContact O-N 2.64Å
231K49.1Very low54.1Low184 Ų184133.4 Ų133.480%0.867%0.672SS**  trans-95.771172.2-71.6-170.9178.9-175.70110.5V233K231-V233 PolarHBondContact O-N 3.35Å
232S45.1Very low52Low78 Ų78129.5 Ų129.555%0.54567%0.673SS.*  trans-59.6131.2147.4179.50000106.8K230 Y234 G235K230-S232 PolarHBondContact O-N 2.64Å; S232-Y234 PolarHBondContact O-N 2.72Å; S232-Y234 PolarHBondContact OG-N 2.85Å; S232-G235 PolarHBondContact O-N 3.25Å
233V48.4Very low50.2Low143 Ų143132.4 Ų132.487%0.86769%0.692SS**SBendtrans-63.6-9.3177.8174.60000111.8K231K231-V233 PolarHBondContact O-N 3.35Å
234Y45.1Very low48.1Very low204 Ų204133.2 Ų133.280%0.870%0.704SS**  trans-101.156.8169.1-61.4-82000111.3S232 V236S232-Y234 PolarHBondContact O-N 2.72Å; S232-Y234 PolarHBondContact OG-N 2.85Å; Y234-V236 PolarHBondContact O-N 3.16Å
235G39.4Very low46.5Very low58 Ų58130.6 Ų130.660%0.59871%0.706SS**  trans-61.8114.516100000107.9S232 T237S232-G235 PolarHBondContact O-N 3.25Å; G235-T237 PolarHBondContact O-N 3.25Å
236V46.9Very low45.1Very low139 Ų139133.4 Ų133.484%0.84273%0.725SS**  trans-54.6108.7174.2175.40000108.3Y234Y234-V236 PolarHBondContact O-N 3.16Å
237T38.8Very low43.7Very low120 Ų120138.1 Ų138.174%0.73674%0.742SS**  trans-75.2122.7160.736.30000108G235 E239G235-T237 PolarHBondContact O-N 3.25Å; T237-E239 PolarHBondContact O-N 3.2Å; T237-E239 VanDerWaalsContact O-N 3.09Å
238D46.5Very low42.4Very low160 Ų160136.8 Ų136.886%0.85674%0.738SS**  trans-69.892.3174.7-154.66.6000108.3
239E37.8Very low41.3Very low158 Ų158134.5 Ų134.574%0.73874%0.738SS**  trans-133.6110.5172-80.1-74.9149.700107.5T237T237-E239 PolarHBondContact O-N 3.2Å; T237-E239 VanDerWaalsContact O-N 3.09Å
240T37.9Very low40.4Very low109 Ų109134.5 Ų134.567%0.66974%0.742SS**  trans36.4107.4157.7-30.90000117.2S242T240-S242 VanDerWaalsContact C-N 3.31Å; T240-S242 PolarHBondContact O-N 2.93Å; T240-S242 PolarHBondContact O-OG 3.19Å
241Q44.3Very low39.9Very low210 Ų210135.6 Ų135.698%0.98175%0.75SS**  trans-50.391.8165.1-81.1-179.90.700111.5
242S34Very low39.4Very low101 Ų101132.4 Ų132.471%0.70675%0.748SS**  trans-107.8122.2157.341.20000105.4T240 S244T240-S242 VanDerWaalsContact C-N 3.31Å; T240-S242 PolarHBondContact O-N 2.93Å; T240-S242 PolarHBondContact O-OG 3.19Å; S242-S244 PolarHBondContact O-N 2.95Å
243Q38.3Very low39.5Very low194 Ų194135.9 Ų135.991%0.90776%0.759SS**  trans-52.7115.7-179.4-72.4179.1-12.500109.2
244S28.5Very low39.8Very low98 Ų98138.1 Ų138.169%0.68575%0.752SS**  trans-53.2129.9173.5-94.70000110.1S242 V246S242-S244 PolarHBondContact O-N 2.95Å; S244-V246 PolarHBondContact O-N 3.23Å
245P40.5Very low40.5Very low129 Ų129137.5 Ų137.584%0.83875%0.753SS**SBendtrans-73.112175.15.45.9000113.7
246V36.3Very low41.5Very low120 Ų120139.7 Ų139.773%0.72776%0.755SS**  trans-121.848.6-178.9-159.20000110.4S244S244-V246 PolarHBondContact O-N 3.23Å
247H33.1Very low43.2Very low158 Ų158135.6 Ų135.673%0.73173%0.731SS**  trans-107.372.9148-154.268.5000107.8P249H247-P249 WeakPolarHBondContact O-CD 3.36Å
248I38.1Very low45.2Very low131 Ų131137 Ų13767%0.67273%0.726SS**  trans-62.5118.2149.6-59.9172.1000103.3S250I248-S250 PolarHBondContact O-N 2.86Å
249P33.8Very low46.8Very low96 Ų96133.5 Ų133.562%0.62371%0.708SS**  trans-53.1117.2168.8-14.726.5000104.5H247 Q251H247-P249 WeakPolarHBondContact O-CD 3.36Å; P249-Q251 PolarHBondContact O-N 3.09Å
250S34.1Very low48.6Very low95 Ų95127.9 Ų127.966%0.66468%0.683SS**  trans-49109.9176.251.60000105.9I248I248-S250 PolarHBondContact O-N 2.86Å
251Q40.9Very low50.8Low163 Ų163127 Ų12776%0.76267%0.673SS**  trans-42.2123.7165.5-79.2-92.3-19.900104.6P249 I253P249-Q251 PolarHBondContact O-N 3.09Å; Q251-I253 PolarHBondContact O-N 3.27Å
252P40.3Very low52.8Low117 Ų117123 Ų12376%0.7665%0.649SS**  trans-55.2106.5-170.319.2-30.2000107.2R254P252-R254 VanDerWaalsContact C-N 3.29Å; P252-R254 PolarHBondContact O-N 3.31Å
253I46.5Very low55.1Low151 Ų151124.9 Ų124.977%0.77464%0.644SS**  trans-60.9107172.2-66.5172.4000102.5Q251 K255Q251-I253 PolarHBondContact O-N 3.27Å; I253-K255 PolarHBondContact O-N 2.87Å
254R55.6Low57.2Low189 Ų189121.1 Ų121.171%0.71363%0.627SS**  trans-51.1110.3-178.3-168.6-177-171.2-175.63.2106.1P252 T256P252-R254 VanDerWaalsContact C-N 3.29Å; P252-R254 PolarHBondContact O-N 3.31Å; R254-T256 PolarHBondContact O-N 3.05Å
255K58.9Low59.8Low191 Ų191120.6 Ų120.683%0.8362%0.615SS**  trans-52.7120.4177.5-73.6-177.3178.4179.20106.5I253 T257I253-K255 PolarHBondContact O-N 2.87Å; K255-T257 WeakPolarHBondContact O-CG2 3.34Å; K255-T257 PolarHBondContact O-N 3.16Å
256T60.6Low62.1Low105 Ų105119 Ų11964%0.64460%0.603SS**  trans-51.3111.9-176.9-47.60000108.6R254 D260 I261R254-T256 PolarHBondContact O-N 3.05Å; T256-D260 HydrophobicContact CG2-CB 3.79Å; T256-I261 HydrophobicContact CG2-CG1 3.86Å
257T82.1Confident64.3Low53 Ų53118.2 Ų118.233%0.32559%0.59SS.*  trans-79.5163.3-176.764.50000110.2K255 D259 D260 I261K255-T257 WeakPolarHBondContact O-CG2 3.34Å; K255-T257 PolarHBondContact O-N 3.16Å; T257-D259 PolarHBondContact O-N 3.49Å; T257-D259 VanDerWaalsContact O-N 3.13Å; T257-D260 WeakPolarHBondContact CB-OD2 3.44Å; T257-D260 PolarHBondContact N-OD2 2.96Å; T257-D260 WeakPolarHBondContact O-CB 3.49Å; T257-D260 PolarHBondContact O-N 2.57Å; T257-D260 PolarHBondContact OG1-N 2.9Å; T257-D260 PolarHBondContact OG1-OD2 3.33Å; T257-I261 PolarHBondContact O-N 3.05Å
258K80.2Confident66.6Low148 Ų148114.6 Ų114.664%0.64358%0.576SS**Hα-helixtrans-53.3-33.3172.4-170.8175.3-175.2173.90111.7I261 R262K258-I261 PolarHBondContact O-N 2.83Å; K258-R262 VanDerWaalsContact O-CG 3.28Å; K258-R262 WeakPolarHBondContact O-CG 3.48Å; K258-R262 PolarHBondContact O-N 3.03Å
259D80.6Confident68.7Low88 Ų88112.4 Ų112.447%0.47157%0.565SS.*Hα-helixtrans-76.3-31.4178.1-67.1-24.9000113T257 R262 K263T257-D259 PolarHBondContact O-N 3.49Å; T257-D259 VanDerWaalsContact O-N 3.13Å; D259-R262 PolarHBondContact O-N 3.19Å; D259-R262 IonicContact OD1-CZ 3.68Å; D259-R262 IonicContact OD1-NH1 3.79Å; D259-R262 PolarHBondContact OD1-NH1 2.97Å; D259-K263 WeakPolarHBondContact O-CB 3.27Å; D259-K263 VanDerWaalsContact O-CG 3.29Å; D259-K263 WeakPolarHBondContact O-CG 3.06Å; D259-K263 PolarHBondContact O-N 2.94Å
260D75.9Confident70.8Confident40 Ų40109.4 Ų109.421%0.21455%0.549CS..Hα-helixtrans-66.5-40.8171-59.6-44.3000110.6T256 T257 K263 Q264T256-D260 HydrophobicContact CG2-CB 3.79Å; T257-D260 WeakPolarHBondContact CB-OD2 3.44Å; T257-D260 PolarHBondContact N-OD2 2.96Å; T257-D260 WeakPolarHBondContact O-CB 3.49Å; T257-D260 PolarHBondContact O-N 2.57Å; T257-D260 PolarHBondContact OG1-N 2.9Å; T257-D260 PolarHBondContact OG1-OD2 3.33Å; D260-K263 PolarHBondContact O-N 3.41Å; D260-Q264 WeakPolarHBondContact O-CB 3.43Å; D260-Q264 PolarHBondContact O-N 2.73Å
261I83.4Confident72.7Confident89 Ų89109 Ų10946%0.45654%0.537SS..Hα-helixtrans-63.9-43.5173.4-61.7179.1000110.9T256 T257 K258 K263 Q264 I265T256-I261 HydrophobicContact CG2-CG1 3.86Å; T257-I261 PolarHBondContact O-N 3.05Å; K258-I261 PolarHBondContact O-N 2.83Å; I261-K263 VanDerWaalsContact C-N 3.32Å; I261-K263 PolarHBondContact O-N 3.38Å; I261-Q264 WeakPolarHBondContact O-CB 3.45Å; I261-Q264 PolarHBondContact O-N 3.41Å; I261-Q264 VanDerWaalsContact O-N 3.13Å; I261-I265 HydrophobicContact CG2-CD1 3.94Å; I261-I265 HydrophobicContact CG2-CG1 4.37Å; I261-I265 WeakPolarHBondContact O-CG1 3.48Å; I261-I265 PolarHBondContact O-N 2.78Å
262R86.6Confident74.5Confident127 Ų127106.3 Ų106.348%0.47953%0.526SS..Hα-helixtrans-60.4-40.4175.6-75.8166.6173.2161.4-9.8112.3K258 D259 I265 T266K258-R262 VanDerWaalsContact O-CG 3.28Å; K258-R262 WeakPolarHBondContact O-CG 3.48Å; K258-R262 PolarHBondContact O-N 3.03Å; D259-R262 PolarHBondContact O-N 3.19Å; D259-R262 IonicContact OD1-CZ 3.68Å; D259-R262 IonicContact OD1-NH1 3.79Å; D259-R262 PolarHBondContact OD1-NH1 2.97Å; R262-I265 PolarHBondContact O-N 3.41Å; R262-T266 WeakPolarHBondContact O-CB 3.37Å; R262-T266 PolarHBondContact O-N 3.35Å; R262-T266 PolarHBondContact O-OG1 2.98Å
263K82.9Confident76.1Confident141 Ų141105.8 Ų105.861%0.61352%0.517SS*.Hα-helixtrans-65.1-40.3173.8-74.1171.7-175170.80111.5D259 D260 I261 T266 F267D259-K263 WeakPolarHBondContact O-CB 3.27Å; D259-K263 VanDerWaalsContact O-CG 3.29Å; D259-K263 WeakPolarHBondContact O-CG 3.06Å; D259-K263 PolarHBondContact O-N 2.94Å; D260-K263 PolarHBondContact O-N 3.41Å; I261-K263 VanDerWaalsContact C-N 3.32Å; I261-K263 PolarHBondContact O-N 3.38Å; K263-T266 PolarHBondContact O-N 2.92Å; K263-F267 WeakPolarHBondContact O-CB 3.4Å; K263-F267 PolarHBondContact O-N 3.21Å
264Q82.3Confident76.8Confident115 Ų115104.1 Ų104.154%0.53750%0.501SS..Hα-helixtrans-62.1-46.5175-159.983.7900111.4D260 I261 T266 F267 L268D260-Q264 WeakPolarHBondContact O-CB 3.43Å; D260-Q264 PolarHBondContact O-N 2.73Å; I261-Q264 WeakPolarHBondContact O-CB 3.45Å; I261-Q264 PolarHBondContact O-N 3.41Å; I261-Q264 VanDerWaalsContact O-N 3.13Å; Q264-T266 VanDerWaalsContact C-N 3.34Å; Q264-T266 PolarHBondContact O-N 3.46Å; Q264-F267 PolarHBondContact O-N 2.91Å; Q264-L268 HydrophobicContact CG-CD1 4.14Å; Q264-L268 WeakPolarHBondContact O-CB 3.34Å; Q264-L268 VanDerWaalsContact O-CG 3.26Å; Q264-L268 WeakPolarHBondContact O-CG 3.3Å; Q264-L268 PolarHBondContact O-N 3.49Å
265I84.1Confident76.8Confident87 Ų87103.1 Ų103.145%0.44650%0.504SS..Hα-helixtrans-58.9-46.6175.3-69.7167.3000110.3I261 R262 F267 L268 N269I261-I265 HydrophobicContact CG2-CD1 3.94Å; I261-I265 HydrophobicContact CG2-CG1 4.37Å; I261-I265 WeakPolarHBondContact O-CG1 3.48Å; I261-I265 PolarHBondContact O-N 2.78Å; R262-I265 PolarHBondContact O-N 3.41Å; I265-F267 VanDerWaalsContact C-N 3.33Å; I265-F267 PolarHBondContact O-N 2.9Å; I265-L268 PolarHBondContact O-N 2.96Å; I265-N269 WeakPolarHBondContact O-CB 3.39Å; I265-N269 VanDerWaalsContact O-CG 3.28Å; I265-N269 PolarHBondContact O-N 2.95Å; I265-N269 PolarHBondContact O-ND2 3.29Å
266T88.4Confident76.7Confident95 Ų9599.1 Ų99.158%0.58350%0.499SS*.Hα-helixtrans-62.1-42.2178.4-53.50000111.3R262 K263 Q264 A270R262-T266 WeakPolarHBondContact O-CB 3.37Å; R262-T266 PolarHBondContact O-N 3.35Å; R262-T266 PolarHBondContact O-OG1 2.98Å; K263-T266 PolarHBondContact O-N 2.92Å; Q264-T266 VanDerWaalsContact C-N 3.34Å; Q264-T266 PolarHBondContact O-N 3.46Å; T266-A270 WeakPolarHBondContact O-CB 3.45Å; T266-A270 PolarHBondContact O-N 3.16Å
267F82.1Confident76.4Confident103 Ų10399.9 Ų99.945%0.45250%0.499SS..Hα-helixtrans-64.1-44.1176.3173.5-96.3000112.3K263 Q264 I265 A270 Q271K263-F267 WeakPolarHBondContact O-CB 3.4Å; K263-F267 PolarHBondContact O-N 3.21Å; Q264-F267 PolarHBondContact O-N 2.91Å; I265-F267 VanDerWaalsContact C-N 3.33Å; I265-F267 PolarHBondContact O-N 2.9Å; F267-A270 CarbonylContact O-C 3.4Å; F267-A270 PolarHBondContact O-N 2.67Å; F267-Q271 HydrophobicContact CD1-CG 4.06Å; F267-Q271 HydrophobicContact CE1-CG 3.64Å; F267-Q271 HydrophobicContact CE2-CG 4.41Å; F267-Q271 HydrophobicContact CZ-CG 3.84Å; F267-Q271 WeakPolarHBondContact O-CG 3.37Å; F267-Q271 PolarHBondContact O-N 3.32Å
268L82.3Confident74.8Confident82 Ų82107.7 Ų107.743%0.42953%0.528SS..Hα-helixtrans-67.9-42.9178.9-71.7171.1000111.6Q264 I265 A270 Q271 I272Q264-L268 HydrophobicContact CG-CD1 4.14Å; Q264-L268 WeakPolarHBondContact O-CB 3.34Å; Q264-L268 VanDerWaalsContact O-CG 3.26Å; Q264-L268 WeakPolarHBondContact O-CG 3.3Å; Q264-L268 PolarHBondContact O-N 3.49Å; I265-L268 PolarHBondContact O-N 2.96Å; L268-A270 VanDerWaalsContact C-N 3.31Å; L268-A270 PolarHBondContact O-N 2.92Å; L268-Q271 WeakPolarHBondContact O-CA 3.44Å; L268-Q271 WeakPolarHBondContact O-CB 3.25Å; L268-Q271 PolarHBondContact O-N 2.89Å; L268-I272 WeakPolarHBondContact O-CG1 3.43Å; L268-I272 PolarHBondContact O-N 3.19Å
269N81.9Confident73.1Confident85 Ų85107.3 Ų107.346%0.45553%0.53SS..Hα-helixtrans-58.7-45.6172.3-73.3-15.7000110.6I265 Q271 I272 D273I265-N269 WeakPolarHBondContact O-CB 3.39Å; I265-N269 VanDerWaalsContact O-CG 3.28Å; I265-N269 PolarHBondContact O-N 2.95Å; I265-N269 PolarHBondContact O-ND2 3.29Å; N269-Q271 VanDerWaalsContact C-N 3.27Å; N269-Q271 PolarHBondContact O-N 3.25Å; N269-I272 PolarHBondContact O-N 2.83Å; N269-I272 VanDerWaalsContact O-N 3.16Å; N269-D273 VanDerWaalsContact O-CG 3.23Å; N269-D273 PolarHBondContact O-N 2.78Å
270A76.9Confident71.3Confident33 Ų33106.9 Ų106.927%0.27353%0.534SS..Hα-helixtrans-64.5-28.4174.400000113.2T266 F267 L268 R274T266-A270 WeakPolarHBondContact O-CB 3.45Å; T266-A270 PolarHBondContact O-N 3.16Å; F267-A270 CarbonylContact O-C 3.4Å; F267-A270 PolarHBondContact O-N 2.67Å; L268-A270 VanDerWaalsContact C-N 3.31Å; L268-A270 PolarHBondContact O-N 2.92Å; A270-R274 VanDerWaalsContact C-NH1 3.34Å; A270-R274 WeakPolarHBondContact O-CB 3.37Å; A270-R274 WeakPolarHBondContact O-CG 3.26Å; A270-R274 PolarHBondContact O-N 2.69Å; A270-R274 VanDerWaalsContact O-N 3.1Å; A270-R274 PolarHBondContact O-NH1 2.85Å
271Q74.9Confident70Confident88 Ų88114.9 Ų114.941%0.41157%0.567SS.*Hα-helixtrans-70-43.3172.1-67.9-103.5-112.600111.5F267 L268 N269 R274 H275F267-Q271 HydrophobicContact CD1-CG 4.06Å; F267-Q271 HydrophobicContact CE1-CG 3.64Å; F267-Q271 HydrophobicContact CE2-CG 4.41Å; F267-Q271 HydrophobicContact CZ-CG 3.84Å; F267-Q271 WeakPolarHBondContact O-CG 3.37Å; F267-Q271 PolarHBondContact O-N 3.32Å; L268-Q271 WeakPolarHBondContact O-CA 3.44Å; L268-Q271 WeakPolarHBondContact O-CB 3.25Å; L268-Q271 PolarHBondContact O-N 2.89Å; N269-Q271 VanDerWaalsContact C-N 3.27Å; N269-Q271 PolarHBondContact O-N 3.25Å; Q271-R274 VanDerWaalsContact CD-NH2 3.34Å; Q271-R274 VanDerWaalsContact CG-NH2 3.27Å; Q271-R274 WeakPolarHBondContact O-CB 3.01Å; Q271-R274 PolarHBondContact O-N 2.86Å; Q271-H275 PolarHBondContact O-N 2.95Å
272I78Confident68.2Low105 Ų105116.9 Ų116.954%0.53858%0.583SS.*Hα-helixtrans-62.5-46.7177.8-68.4165.7000109.4L268 N269 R274 H275 C276L268-I272 WeakPolarHBondContact O-CG1 3.43Å; L268-I272 PolarHBondContact O-N 3.19Å; N269-I272 PolarHBondContact O-N 2.83Å; N269-I272 VanDerWaalsContact O-N 3.16Å; I272-R274 VanDerWaalsContact C-N 3.3Å; I272-R274 PolarHBondContact O-N 3.38Å; I272-H275 WeakPolarHBondContact O-CB 3.19Å; I272-H275 PolarHBondContact O-N 3.36Å; I272-C276 PolarHBondContact O-N 3.38Å
273D73.1Confident66.2Low107 Ų107113.7 Ų113.757%0.57258%0.584SS**Hα-helixtrans-61.9-37.4176.4-66.2-24.7000112N269 H275 C276N269-D273 VanDerWaalsContact O-CG 3.23Å; N269-D273 PolarHBondContact O-N 2.78Å; D273-H275 VanDerWaalsContact C-N 3.32Å; D273-H275 PolarHBondContact O-N 2.86Å; D273-C276 WeakPolarHBondContact O-CB 3.42Å; D273-C276 PolarHBondContact O-N 2.73Å
274R63.1Low64.6Low115 Ų115115 Ų11543%0.43459%0.592SS.*Hα-helixtrans-65.4-33.1172.6-79.5-171.9-56.8-90.814112.5A270 Q271 I272 C276 L277A270-R274 VanDerWaalsContact C-NH1 3.34Å; A270-R274 WeakPolarHBondContact O-CB 3.37Å; A270-R274 WeakPolarHBondContact O-CG 3.26Å; A270-R274 PolarHBondContact O-N 2.69Å; A270-R274 VanDerWaalsContact O-N 3.1Å; A270-R274 PolarHBondContact O-NH1 2.85Å; Q271-R274 VanDerWaalsContact CD-NH2 3.34Å; Q271-R274 VanDerWaalsContact CG-NH2 3.27Å; Q271-R274 WeakPolarHBondContact O-CB 3.01Å; Q271-R274 PolarHBondContact O-N 2.86Å; I272-R274 VanDerWaalsContact C-N 3.3Å; I272-R274 PolarHBondContact O-N 3.38Å; R274-C276 VanDerWaalsContact C-N 3.26Å; R274-C276 PolarHBondContact O-N 3.26Å; R274-L277 PolarHBondContact O-N 2.75Å; R274-L277 VanDerWaalsContact O-N 3.13Å
275H55.3Low63.2Low169 Ų169113.7 Ų113.778%0.78260%0.595SS**Hα-helixtrans-75.5-15.4178.9-156.4-83.5000112.8Q271 I272 D273 L277Q271-H275 PolarHBondContact O-N 2.95Å; I272-H275 WeakPolarHBondContact O-CB 3.19Å; I272-H275 PolarHBondContact O-N 3.36Å; D273-H275 VanDerWaalsContact C-N 3.32Å; D273-H275 PolarHBondContact O-N 2.86Å; H275-L277 VanDerWaalsContact C-N 3.27Å
276C56.2Low61.8Low107 Ų107119.2 Ų119.272%0.72362%0.616SS**THydrogen-bonded Turntrans-75.6-14167-67.80000113I272 D273 R274I272-C276 PolarHBondContact O-N 3.38Å; D273-C276 WeakPolarHBondContact O-CB 3.42Å; D273-C276 PolarHBondContact O-N 2.73Å; R274-C276 VanDerWaalsContact C-N 3.26Å; R274-C276 PolarHBondContact O-N 3.26Å
277L53.3Low60.9Low121 Ų121122.3 Ų122.363%0.63462%0.624SS**SBendtrans-102.7112.4170.5-73.2160000108.9R274 H275 M279R274-L277 PolarHBondContact O-N 2.75Å; R274-L277 VanDerWaalsContact O-N 3.13Å; H275-L277 VanDerWaalsContact C-N 3.27Å; L277-M279 VanDerWaalsContact C-N 3.33Å; L277-M279 PolarHBondContact O-N 3.04Å
278K49.5Very low60.8Low217 Ų217118.3 Ų118.394%0.94361%0.608SS**  trans-61.193.8171.9-81.2-176.1178.6176.20109.8S280K278-S280 PolarHBondContact O-N 2.91Å
279M44.1Very low60.8Low139 Ų139117.7 Ų117.769%0.68561%0.611SS**  trans-82.7110.8170.5-68.5-59.5-60.600109L277 A283L277-M279 VanDerWaalsContact C-N 3.33Å; L277-M279 PolarHBondContact O-N 3.04Å; M279-A283 HydrophobicContact CE-CB 3.43Å; M279-A283 VanDerWaalsContact CE-CB 3.43Å
280S43.9Very low60.9Low79 Ų79116.9 Ų116.955%0.55260%0.604SS**  trans-56.5143.2168.4162.50000110.7K278 V282 A283K278-S280 PolarHBondContact O-N 2.91Å; S280-V282 PolarHBondContact O-N 2.81Å; S280-V282 WeakPolarHBondContact OG-CG2 3.17Å; S280-V282 PolarHBondContact OG-N 3.01Å; S280-A283 PolarHBondContact O-N 3.45Å; S280-A283 VanDerWaalsContact O-N 3.12Å
281K48.1Very low61.2Low209 Ų209123 Ų12391%0.90963%0.628SS**G310 helixtrans-54.2-5.5174.8-136.2171.9-177178.30114.3
282V45.3Very low61.9Low130 Ų130122.9 Ų122.979%0.78862%0.623SS**G310 helixtrans-86-6.1179-176.20000113S280S280-V282 PolarHBondContact O-N 2.81Å; S280-V282 WeakPolarHBondContact OG-CG2 3.17Å; S280-V282 PolarHBondContact OG-N 3.01Å
283A44.9Very low62.5Low60 Ų60117.9 Ų117.950%0.49660%0.598SS.*G310 helixtrans-94.311.6-178.900000115.5M279 S280 S285M279-A283 HydrophobicContact CE-CB 3.43Å; M279-A283 VanDerWaalsContact CE-CB 3.43Å; S280-A283 PolarHBondContact O-N 3.45Å; S280-A283 VanDerWaalsContact O-N 3.12Å; A283-S285 VanDerWaalsContact C-N 3.27Å; A283-S285 PolarHBondContact O-N 3.46Å
284E49Very low63.3Low169 Ų169118.1 Ų118.179%0.7959%0.594SS**  trans-72.688.8159.9-91.6-176.4156.100108.2K286E284-K286 PolarHBondContact O-N 3.18Å
285S52Low64.6Low87 Ų87119.5 Ų119.561%0.60860%0.599SS**  trans-56.2124.1167.3570000108.5A283 E287A283-S285 VanDerWaalsContact C-N 3.27Å; A283-S285 PolarHBondContact O-N 3.46Å; S285-E287 PolarHBondContact O-N 2.97Å; S285-E287 PolarHBondContact OG-O 3.06Å
286K56.1Low66.5Low203 Ų203111.5 Ų111.588%0.88356%0.562SS**SBendtrans-54.9-16.3172.1-70.6-176.5176.5-177.90112.8E284E284-K286 PolarHBondContact O-N 3.18Å
287E68.1Low68.1Low160 Ų160107.7 Ų107.775%0.74854%0.54SS*.SBendtrans-90120.1173.6-67.1-176.1167.200111.1S285S285-E287 PolarHBondContact O-N 2.97Å; S285-E287 PolarHBondContact OG-O 3.06Å
288P80.4Confident70Confident19 Ų19109.7 Ų109.712%0.12354%0.544CS..PPolyproline II helixtrans-69.3144.2176.331.2-36.4000110.8R292 V293 W296 V308P288-R292 HydrophobicContact CB-CB 4.49Å; P288-R292 HydrophobicContact CB-CG 4.37Å; P288-V293 HydrophobicContact CB-CG2 3.77Å; P288-V293 HydrophobicContact CG-CG2 3.48Å; P288-V293 VanDerWaalsContact CG-CG2 3.48Å; P288-W296 HydrophobicContact CB-CH2 3.97Å; P288-W296 HydrophobicContact CB-CZ2 3.98Å; P288-W296 HydrophobicContact CG-CH2 3.69Å; P288-W296 HydrophobicContact CG-CZ2 4.24Å; P288-W296 HydrophobicContact CG-CZ3 4.49Å; P288-V308 HydrophobicContact CB-CG1 4.27Å; P288-V308 HydrophobicContact CG-CG1 4.15Å
289S83.6Confident72.1Confident69 Ų69101.1 Ų101.148%0.48351%0.511SS..PPolyproline II helixtrans-65152.4172.674.30000111.5Q291 R292 V293S289-Q291 PolarHBondContact O-N 3.46Å; S289-Q291 VanDerWaalsContact O-N 3.16Å; S289-R292 WeakPolarHBondContact O-CA 3.46Å; S289-R292 WeakPolarHBondContact O-CB 3.45Å; S289-R292 PolarHBondContact O-N 3.43Å; S289-R292 WeakPolarHBondContact OG-CB 3.41Å; S289-R292 PolarHBondContact OG-N 3.18Å; S289-V293 PolarHBondContact O-N 3.06Å
290Q83.3Confident74.5Confident68 Ų6894.5 Ų94.532%0.31848%0.479SS..Hα-helixtrans-55.7-35.1177.1-71-171.7-700113.5V293 K294 A416Q290-V293 PolarHBondContact O-N 2.83Å; Q290-K294 WeakPolarHBondContact O-CB 3.29Å; Q290-K294 VanDerWaalsContact O-CG 3.3Å; Q290-K294 WeakPolarHBondContact O-CG 3.37Å; Q290-K294 PolarHBondContact O-N 3.48Å; Q290-A416 PolarHBondContact NE2-O 3.17Å
291Q83.9Confident76.9Confident163 Ų16393.6 Ų93.676%0.76247%0.468SS*.Hα-helixtrans-67.9-37.2176.6-70.6179.7-15.100111.8S289 R295S289-Q291 PolarHBondContact O-N 3.46Å; S289-Q291 VanDerWaalsContact O-N 3.16Å; Q291-R295 PolarHBondContact O-N 2.89Å
292R88Confident79.1Confident84 Ų8485.2 Ų85.232%0.31743%0.432SS..Hα-helixtrans-65.8-46174.6-175.4176.9178.7179.2-0.2110.9P288 S289 R295 W296 D306P288-R292 HydrophobicContact CB-CB 4.49Å; P288-R292 HydrophobicContact CB-CG 4.37Å; S289-R292 WeakPolarHBondContact O-CA 3.46Å; S289-R292 WeakPolarHBondContact O-CB 3.45Å; S289-R292 PolarHBondContact O-N 3.43Å; S289-R292 WeakPolarHBondContact OG-CB 3.41Å; S289-R292 PolarHBondContact OG-N 3.18Å; R292-R295 WeakPolarHBondContact O-CB 3.26Å; R292-R295 PolarHBondContact O-N 2.84Å; R292-W296 HydrophobicContact CG-CZ2 4.46Å; R292-W296 PolarHBondContact O-NE1 3.22Å; R292-D306 WeakPolarHBondContact CG-OD2 3.33Å; R292-D306 IonicContact CZ-OD1 3.6Å; R292-D306 IonicContact CZ-OD2 2.78Å; R292-D306 IonicContact NE-OD1 3.99Å; R292-D306 PolarHBondContact NE-OD1 3.31Å; R292-D306 IonicContact NE-OD2 3.72Å; R292-D306 PolarHBondContact NE-OD2 3.27Å; R292-D306 IonicContact NH2-OD1 3.51Å; R292-D306 PolarHBondContact NH2-OD1 3.32Å; R292-D306 IonicContact NH2-OD2 2.67Å; R292-D306 PolarHBondContact NH2-OD2 3.5Å
293V90.8Very high81.4Confident0 Ų079 Ų790%039%0.394CS..Hα-helixtrans-62.7-45.4176.6-179.80000111.6P288 S289 Q290 R295 W296 Y410 L413 L414P288-V293 HydrophobicContact CB-CG2 3.77Å; P288-V293 HydrophobicContact CG-CG2 3.48Å; P288-V293 VanDerWaalsContact CG-CG2 3.48Å; S289-V293 PolarHBondContact O-N 3.06Å; Q290-V293 PolarHBondContact O-N 2.83Å; V293-R295 PolarHBondContact O-N 3.1Å; V293-R295 VanDerWaalsContact O-N 3.16Å; V293-W296 HydrophobicContact CB-CE3 4.3Å; V293-W296 HydrophobicContact CB-CZ3 4.4Å; V293-W296 HydrophobicContact CG1-CE3 3.96Å; V293-W296 HydrophobicContact CG1-CZ3 4.14Å; V293-W296 HydrophobicContact CG2-CE3 4.37Å; V293-W296 HydrophobicContact CG2-CH2 4.12Å; V293-W296 HydrophobicContact CG2-CZ3 3.99Å; V293-W296 WeakPolarHBondContact O-CB 3.31Å; V293-W296 PolarHBondContact O-N 3.24Å; V293-W296 VanDerWaalsContact O-N 3.07Å; V293-Y410 HydrophobicContact CG1-CD2 4.14Å; V293-Y410 HydrophobicContact CG1-CE2 3.68Å; V293-Y410 PolarHBondContact O-OH 3.07Å; V293-L413 HydrophobicContact CG1-CB 4Å; V293-L413 HydrophobicContact CG2-CB 4.33Å; V293-L414 HydrophobicContact CG1-CB 4.35Å; V293-L414 HydrophobicContact CG1-CD1 4.39Å
294K90.1Very high83.8Confident112 Ų11276.3 Ų76.349%0.48737%0.372SS..Hα-helixtrans-53.4-37.1176-83.4179.1-178.5-172.50113Q290 W296 G297 L414Q290-K294 WeakPolarHBondContact O-CB 3.29Å; Q290-K294 VanDerWaalsContact O-CG 3.3Å; Q290-K294 WeakPolarHBondContact O-CG 3.37Å; Q290-K294 PolarHBondContact O-N 3.48Å; K294-W296 VanDerWaalsContact C-N 3.31Å; K294-W296 PolarHBondContact O-N 3.43Å; K294-G297 PolarHBondContact O-N 3.22Å; K294-L414 HydrophobicContact CB-CD1 4.35Å; K294-L414 HydrophobicContact CD-CD1 4.31Å; K294-L414 HydrophobicContact CG-CD1 3.31Å
295R91Very high85.8Confident144 Ų14475.1 Ų75.154%0.54336%0.364SS..Hα-helixtrans-67.7-32.1-177.8-170.3170.3175.7170.2-2.6112.4Q291 R292 V293 G297 F298 E302Q291-R295 PolarHBondContact O-N 2.89Å; R292-R295 WeakPolarHBondContact O-CB 3.26Å; R292-R295 PolarHBondContact O-N 2.84Å; V293-R295 PolarHBondContact O-N 3.1Å; V293-R295 VanDerWaalsContact O-N 3.16Å; R295-G297 PolarHBondContact O-N 2.96Å; R295-F298 HydrophobicContact CB-CD2 4.41Å; R295-F298 HydrophobicContact CB-CE2 4.42Å; R295-F298 HydrophobicContact CG-CD2 4.01Å; R295-F298 HydrophobicContact CG-CE2 4.28Å; R295-F298 WeakPolarHBondContact O-CB 3.42Å; R295-F298 PolarHBondContact O-N 3.44Å; R295-F298 VanDerWaalsContact O-N 3.11Å; R295-E302 HydrophobicContact CG-CB 4.44Å; R295-E302 HydrophobicContact CG-CG 4.44Å; R295-E302 IonicContact CZ-OE2 2.67Å; R295-E302 VanDerWaalsContact CZ-OE2 3.23Å; R295-E302 IonicContact NE-OE2 3.67Å; R295-E302 PolarHBondContact NE-OE2 3.46Å; R295-E302 IonicContact NH2-OE2 2.65Å; R295-E302 PolarHBondContact NH2-OE2 3.11Å; R295-E302 WeakPolarHBondContact O-CB 3.38Å
296W94.2Very high87.7Confident2 Ų272.3 Ų72.31%0.00834%0.342CS..Hα-helixtrans-60.6-26.5174.9-55.2-21000112.5P288 R292 V293 K294 I303 D306 V308 G309 Q312 Y401 Y410 L413P288-W296 HydrophobicContact CB-CH2 3.97Å; P288-W296 HydrophobicContact CB-CZ2 3.98Å; P288-W296 HydrophobicContact CG-CH2 3.69Å; P288-W296 HydrophobicContact CG-CZ2 4.24Å; P288-W296 HydrophobicContact CG-CZ3 4.49Å; R292-W296 HydrophobicContact CG-CZ2 4.46Å; R292-W296 PolarHBondContact O-NE1 3.22Å; V293-W296 HydrophobicContact CB-CE3 4.3Å; V293-W296 HydrophobicContact CB-CZ3 4.4Å; V293-W296 HydrophobicContact CG1-CE3 3.96Å; V293-W296 HydrophobicContact CG1-CZ3 4.14Å; V293-W296 HydrophobicContact CG2-CE3 4.37Å; V293-W296 HydrophobicContact CG2-CH2 4.12Å; V293-W296 HydrophobicContact CG2-CZ3 3.99Å; V293-W296 WeakPolarHBondContact O-CB 3.31Å; V293-W296 PolarHBondContact O-N 3.24Å; V293-W296 VanDerWaalsContact O-N 3.07Å; K294-W296 VanDerWaalsContact C-N 3.31Å; K294-W296 PolarHBondContact O-N 3.43Å; W296-I303 HydrophobicContact CB-CB 4Å; W296-I303 HydrophobicContact CB-CD1 4.32Å; W296-I303 HydrophobicContact CB-CG1 4.17Å; W296-I303 HydrophobicContact CG-CB 4.41Å; W296-I303 HydrophobicContact CG-CG1 4.3Å; W296-D306 PolarHBondContact NE1-OD2 3.04Å; W296-V308 HydrophobicContact CH2-CB 4.41Å; W296-V308 HydrophobicContact CH2-CG1 3.92Å; W296-V308 HydrophobicContact CZ2-CB 4.11Å; W296-V308 HydrophobicContact CZ2-CG1 4.09Å; W296-G309 VanDerWaalsContact CZ2-N 3.33Å; W296-Q312 HydrophobicContact CH2-CG 4.27Å; W296-Q312 HydrophobicContact CZ3-CB 4.45Å; W296-Q312 HydrophobicContact CZ3-CG 4.3Å; W296-Y401 PolarHBondContact O-OH 2.82Å; W296-Y410 HydrophobicContact CB-CE2 4.28Å; W296-Y410 HydrophobicContact CE3-CD2 4.42Å; W296-Y410 HydrophobicContact CE3-CE2 4.25Å; W296-L413 HydrophobicContact CZ3-CD1 4.17Å
297G91.4Very high89.3Confident26 Ų2667.3 Ų67.327%0.26832%0.321SS..THydrogen-bonded Turntrans-80.7-8.5177.100000115.5K294 R295 Y401 Y410K294-G297 PolarHBondContact O-N 3.22Å; R295-G297 PolarHBondContact O-N 2.96Å; G297-Y401 PolarHBondContact O-OH 2.94Å; G297-Y410 PolarHBondContact N-OH 2.8Å
298F91.8Very high90.5Very high164 Ų16461 Ų6172%0.71929%0.294SS*.THydrogen-bonded Turntrans-74.7-37.4-179.2-64.8-20.6000112.8R295R295-F298 HydrophobicContact CB-CD2 4.41Å; R295-F298 HydrophobicContact CB-CE2 4.42Å; R295-F298 HydrophobicContact CG-CD2 4.01Å; R295-F298 HydrophobicContact CG-CE2 4.28Å; R295-F298 WeakPolarHBondContact O-CB 3.42Å; R295-F298 PolarHBondContact O-N 3.44Å; R295-F298 VanDerWaalsContact O-N 3.11Å
299S93.8Very high91.1Very high36 Ų3660.1 Ų60.125%0.25229%0.288SS..  trans-163.1160173.875.40000111.3D301 E302 Y401S299-D301 PolarHBondContact O-N 3.14Å; S299-D301 PolarHBondContact OG-N 2.72Å; S299-E302 PolarHBondContact O-N 3.37Å; S299-E302 PolarHBondContact OG-N 2.99Å; S299-Y401 WeakPolarHBondContact CA-OH 3.33Å; S299-Y401 PolarHBondContact N-OH 3.17Å; S299-Y401 PolarHBondContact O-OH 3.4Å
300F95.6Very high91.6Very high1 Ų159.6 Ų59.60%0.00428%0.275CS..Hα-helixtrans-59.8-31.5175.8-171.2-138.1000112.6E302 I303 L304 F313 Y393 M396 K397 Y401F300-E302 VanDerWaalsContact C-N 3.32Å; F300-E302 PolarHBondContact O-N 2.84Å; F300-I303 HydrophobicContact CD2-CG2 3.71Å; F300-I303 HydrophobicContact CE2-CG2 4.23Å; F300-I303 WeakPolarHBondContact O-CG2 3.3Å; F300-I303 PolarHBondContact O-N 2.86Å; F300-L304 HydrophobicContact CD1-CD1 3.88Å; F300-L304 HydrophobicContact CD2-CD1 4.36Å; F300-L304 HydrophobicContact CD2-CG 4.25Å; F300-L304 HydrophobicContact CE1-CD1 3.6Å; F300-L304 HydrophobicContact CE1-CG 4.39Å; F300-L304 HydrophobicContact CE2-CD1 4.08Å; F300-L304 HydrophobicContact CE2-CD2 4.08Å; F300-L304 HydrophobicContact CE2-CG 3.97Å; F300-L304 HydrophobicContact CG-CD1 4.27Å; F300-L304 HydrophobicContact CZ-CD1 3.7Å; F300-L304 HydrophobicContact CZ-CD2 4.07Å; F300-L304 HydrophobicContact CZ-CG 4.04Å; F300-L304 WeakPolarHBondContact O-CG 3.33Å; F300-L304 PolarHBondContact O-N 3.33Å; F300-L304 VanDerWaalsContact O-N 3.16Å; F300-F313 HydrophobicContact CE2-CD1 4.17Å; F300-F313 AromaticContact CE2-CE1 3.46Å; F300-F313 HydrophobicContact CE2-CE1 3.46Å; F300-F313 VanDerWaalsContact CE2-CE1 3.46Å; F300-F313 AromaticContact CE2-CZ 3.8Å; F300-F313 HydrophobicContact CE2-CZ 3.8Å; F300-F313 AromaticContact CZ-CE1 3.91Å; F300-F313 HydrophobicContact CZ-CE1 3.91Å; F300-F313 HydrophobicContact CZ-CZ 4.36Å; F300-Y393 AromaticContact CD1-CD2 3.77Å; F300-Y393 HydrophobicContact CD1-CD2 3.77Å; F300-Y393 HydrophobicContact CD1-CE1 4.21Å; F300-Y393 AromaticContact CD1-CE2 3.43Å; F300-Y393 HydrophobicContact CD1-CE2 3.43Å; F300-Y393 VanDerWaalsContact CD1-CE2 3.43Å; F300-Y393 HydrophobicContact CD1-CG 4.33Å; F300-Y393 AromaticContact CD1-CZ 3.66Å; F300-Y393 AromaticContact CE1-CD2 3.65Å; F300-Y393 HydrophobicContact CE1-CD2 3.65Å; F300-Y393 AromaticContact CE1-CE2 3.81Å; F300-Y393 HydrophobicContact CE1-CE2 3.81Å; F300-Y393 HydrophobicContact CE1-CG 4.17Å; F300-Y393 HydrophobicContact CG-CE2 4.45Å; F300-M396 HydrophobicContact CE1-CB 3.86Å; F300-M396 HydrophobicContact CE1-CE 4.3Å; F300-M396 HydrophobicContact CE2-CB 4.39Å; F300-M396 HydrophobicContact CZ-CB 3.5Å; F300-M396 VanDerWaalsContact CZ-CB 3.5Å; F300-M396 HydrophobicContact CZ-CE 3.97Å; F300-M396 HydrophobicContact CZ-CG 4.48Å; F300-M396 HydrophobicContact CZ-SD 4.25Å; F300-K397 HydrophobicContact CB-CB 4.33Å; F300-K397 HydrophobicContact CB-CD 4.2Å; F300-K397 HydrophobicContact CB-CG 3.92Å; F300-K397 HydrophobicContact CD1-CB 3.62Å; F300-K397 HydrophobicContact CD1-CD 4.38Å; F300-K397 HydrophobicContact CD1-CG 4.12Å; F300-K397 HydrophobicContact CE1-CB 4.18Å; F300-K397 HydrophobicContact CG-CB 4.14Å; F300-K397 HydrophobicContact CG-CG 4.29Å; F300-Y401 HydrophobicContact CB-CD1 3.92Å; F300-Y401 HydrophobicContact CB-CD2 4.49Å; F300-Y401 HydrophobicContact CB-CE1 4.07Å; F300-Y401 HydrophobicContact CB-CG 4.15Å; F300-Y401 HydrophobicContact CD2-CD1 4.19Å; F300-Y401 AromaticContact CD2-CD2 3.58Å; F300-Y401 HydrophobicContact CD2-CD2 3.58Å; F300-Y401 HydrophobicContact CD2-CE2 4.26Å; F300-Y401 AromaticContact CD2-CG 3.53Å; F300-Y401 HydrophobicContact CD2-CG 3.53Å; F300-Y401 HydrophobicContact CE2-CD2 4.3Å; F300-Y401 HydrophobicContact CE2-CG 4.27Å; F300-Y401 HydrophobicContact CG-CD1 4.36Å; F300-Y401 HydrophobicContact CG-CD2 4.46Å; F300-Y401 HydrophobicContact CG-CG 4.14Å
301D93.7Very high92.2Very high59 Ų5959.1 Ų59.132%0.31628%0.275SS..Hα-helixtrans-65-35.1175.4-56.2-68000112.7S299 L304 K305 Y393S299-D301 PolarHBondContact O-N 3.14Å; S299-D301 PolarHBondContact OG-N 2.72Å; D301-L304 PolarHBondContact O-N 3.13Å; D301-K305 WeakPolarHBondContact O-CB 3.42Å; D301-K305 WeakPolarHBondContact O-CD 3.33Å; D301-K305 WeakPolarHBondContact O-CG 3.35Å; D301-K305 PolarHBondContact O-N 3.38Å; D301-Y393 PolarHBondContact OD1-OH 3.08Å; D301-Y393 PolarHBondContact OD2-OH 3.49Å
302E93.5Very high92.7Very high33 Ų3353.2 Ų53.215%0.15425%0.248CC..Hα-helixtrans-69.9-34.6-178.1-67.8-59.1111.600112.1R295 S299 F300 K305R295-E302 HydrophobicContact CG-CB 4.44Å; R295-E302 HydrophobicContact CG-CG 4.44Å; R295-E302 IonicContact CZ-OE2 2.67Å; R295-E302 VanDerWaalsContact CZ-OE2 3.23Å; R295-E302 IonicContact NE-OE2 3.67Å; R295-E302 PolarHBondContact NE-OE2 3.46Å; R295-E302 IonicContact NH2-OE2 2.65Å; R295-E302 PolarHBondContact NH2-OE2 3.11Å; R295-E302 WeakPolarHBondContact O-CB 3.38Å; S299-E302 PolarHBondContact O-N 3.37Å; S299-E302 PolarHBondContact OG-N 2.99Å; F300-E302 VanDerWaalsContact C-N 3.32Å; F300-E302 PolarHBondContact O-N 2.84Å; E302-K305 IonicContact OE1-NZ 3.9Å; E302-K305 PolarHBondContact OE1-NZ 3.38Å
303I94.4Very high93.1Very high0 Ų049.2 Ų49.20%023%0.232CC..Hα-helixtrans-73.4-37.4173.7-168.8168.1000112.1W296 F300 K305 D306 R310 F313 Y401 F404W296-I303 HydrophobicContact CB-CB 4Å; W296-I303 HydrophobicContact CB-CD1 4.32Å; W296-I303 HydrophobicContact CB-CG1 4.17Å; W296-I303 HydrophobicContact CG-CB 4.41Å; W296-I303 HydrophobicContact CG-CG1 4.3Å; F300-I303 HydrophobicContact CD2-CG2 3.71Å; F300-I303 HydrophobicContact CE2-CG2 4.23Å; F300-I303 WeakPolarHBondContact O-CG2 3.3Å; F300-I303 PolarHBondContact O-N 2.86Å; I303-K305 PolarHBondContact O-N 3.35Å; I303-D306 PolarHBondContact O-N 2.9Å; I303-R310 PolarHBondContact O-N 3.01Å; I303-F313 HydrophobicContact CD1-CB 3.74Å; I303-F313 HydrophobicContact CD1-CD2 4.39Å; I303-F313 HydrophobicContact CD1-CG 4.11Å; I303-F313 HydrophobicContact CG1-CB 4.29Å; I303-Y401 HydrophobicContact CB-CE2 4.37Å; I303-Y401 HydrophobicContact CG2-CD2 3.86Å; I303-Y401 HydrophobicContact CG2-CE2 3.63Å; I303-F404 HydrophobicContact CD1-CD1 3.71Å; I303-F404 HydrophobicContact CD1-CE1 3.22Å; I303-F404 HydrophobicContact CD1-CZ 3.87Å
304L94.6Very high93.3Very high4 Ų451 Ų512%0.02124%0.242CC..Hα-helixtrans-71.9-27.1179.2-69.5178.9000113.8F300 D301 R310 L326 W329 Y393F300-L304 HydrophobicContact CD1-CD1 3.88Å; F300-L304 HydrophobicContact CD2-CD1 4.36Å; F300-L304 HydrophobicContact CD2-CG 4.25Å; F300-L304 HydrophobicContact CE1-CD1 3.6Å; F300-L304 HydrophobicContact CE1-CG 4.39Å; F300-L304 HydrophobicContact CE2-CD1 4.08Å; F300-L304 HydrophobicContact CE2-CD2 4.08Å; F300-L304 HydrophobicContact CE2-CG 3.97Å; F300-L304 HydrophobicContact CG-CD1 4.27Å; F300-L304 HydrophobicContact CZ-CD1 3.7Å; F300-L304 HydrophobicContact CZ-CD2 4.07Å; F300-L304 HydrophobicContact CZ-CG 4.04Å; F300-L304 WeakPolarHBondContact O-CG 3.33Å; F300-L304 PolarHBondContact O-N 3.33Å; F300-L304 VanDerWaalsContact O-N 3.16Å; D301-L304 PolarHBondContact O-N 3.13Å; L304-R310 WeakPolarHBondContact O-CD 3.48Å; L304-R310 WeakPolarHBondContact O-CG 3.34Å; L304-R310 PolarHBondContact O-NH1 3.5Å; L304-L326 HydrophobicContact CD2-CD1 3.46Å; L304-L326 VanDerWaalsContact CD2-CD1 3.46Å; L304-W329 HydrophobicContact CB-CH2 4.08Å; L304-W329 HydrophobicContact CB-CZ3 4.16Å; L304-W329 HydrophobicContact CD1-CD2 4.38Å; L304-W329 HydrophobicContact CD1-CE3 4.31Å; L304-W329 HydrophobicContact CD1-CH2 3.77Å; L304-W329 HydrophobicContact CD1-CZ2 3.84Å; L304-W329 HydrophobicContact CD1-CZ3 4Å; L304-W329 HydrophobicContact CD2-CE3 4.31Å; L304-W329 HydrophobicContact CD2-CZ3 4.16Å; L304-W329 HydrophobicContact CG-CH2 4.42Å; L304-W329 HydrophobicContact CG-CZ3 4.35Å; L304-Y393 HydrophobicContact CD1-CD2 3.95Å; L304-Y393 HydrophobicContact CD1-CE2 3.78Å
305K91.9Very high93.5Very high144 Ų14452.5 Ų52.563%0.62625%0.245SC*.Hα-helixtrans-73.5-30.1174-73.7168.6-164.11660112.7D301 E302 I303D301-K305 WeakPolarHBondContact O-CB 3.42Å; D301-K305 WeakPolarHBondContact O-CD 3.33Å; D301-K305 WeakPolarHBondContact O-CG 3.35Å; D301-K305 PolarHBondContact O-N 3.38Å; E302-K305 IonicContact OE1-NZ 3.9Å; E302-K305 PolarHBondContact OE1-NZ 3.38Å; I303-K305 PolarHBondContact O-N 3.35Å
306D90.9Very high93.8Very high27 Ų2746.4 Ų46.414%0.14422%0.222CC..  trans-88.2121.6-176.2-170.3-49.5000111R292 W296 I303 V308 G309 R310R292-D306 WeakPolarHBondContact CG-OD2 3.33Å; R292-D306 IonicContact CZ-OD1 3.6Å; R292-D306 IonicContact CZ-OD2 2.78Å; R292-D306 IonicContact NE-OD1 3.99Å; R292-D306 PolarHBondContact NE-OD1 3.31Å; R292-D306 IonicContact NE-OD2 3.72Å; R292-D306 PolarHBondContact NE-OD2 3.27Å; R292-D306 IonicContact NH2-OD1 3.51Å; R292-D306 PolarHBondContact NH2-OD1 3.32Å; R292-D306 IonicContact NH2-OD2 2.67Å; R292-D306 PolarHBondContact NH2-OD2 3.5Å; W296-D306 PolarHBondContact NE1-OD2 3.04Å; I303-D306 PolarHBondContact O-N 2.9Å; D306-V308 VanDerWaalsContact C-N 3.34Å; D306-V308 PolarHBondContact O-N 2.83Å; D306-V308 PolarHBondContact OD1-N 3.4Å; D306-G309 PolarHBondContact O-N 3.36Å; D306-G309 PolarHBondContact OD1-N 3.49Å; D306-R310 WeakPolarHBondContact O-CG 3.42Å; D306-R310 PolarHBondContact O-N 3.22Å
307Q91.1Very high93.9Very high98 Ų9846.3 Ų46.346%0.45822%0.222SC..Hα-helixtrans-57.8-44.3179.4-176.261.251.800112.9G309 R310 D311Q307-G309 VanDerWaalsContact C-N 3.33Å; Q307-R310 PolarHBondContact O-N 3.46Å; Q307-D311 PolarHBondContact NE2-OD1 3.15Å; Q307-D311 PolarHBondContact O-N 3.38Å
308V91.9Very high94Very high28 Ų2849.5 Ų49.517%0.1723%0.23CC..Hα-helixtrans-71.5-35.2-179.8-178.10000110P288 W296 D306 D311 Q312P288-V308 HydrophobicContact CB-CG1 4.27Å; P288-V308 HydrophobicContact CG-CG1 4.15Å; W296-V308 HydrophobicContact CH2-CB 4.41Å; W296-V308 HydrophobicContact CH2-CG1 3.92Å; W296-V308 HydrophobicContact CZ2-CB 4.11Å; W296-V308 HydrophobicContact CZ2-CG1 4.09Å; D306-V308 VanDerWaalsContact C-N 3.34Å; D306-V308 PolarHBondContact O-N 2.83Å; D306-V308 PolarHBondContact OD1-N 3.4Å; V308-D311 PolarHBondContact O-N 3.5Å; V308-Q312 VanDerWaalsContact O-CG 3.31Å; V308-Q312 WeakPolarHBondContact O-CG 3.38Å; V308-Q312 PolarHBondContact O-N 3.21Å
309G93.4Very high94.1Very high0 Ų045.6 Ų45.60%022%0.223CC..Hα-helixtrans-60.1-47.4172.600000112W296 D306 Q307 D311 Q312 F313W296-G309 VanDerWaalsContact CZ2-N 3.33Å; D306-G309 PolarHBondContact O-N 3.36Å; D306-G309 PolarHBondContact OD1-N 3.49Å; Q307-G309 VanDerWaalsContact C-N 3.33Å; G309-D311 PolarHBondContact O-N 3.14Å; G309-Q312 PolarHBondContact O-N 3.46Å; G309-F313 WeakPolarHBondContact O-CB 3.49Å; G309-F313 PolarHBondContact O-N 3.21Å
310R95.4Very high94.1Very high58 Ų5847.1 Ų47.122%0.21923%0.226CC..Hα-helixtrans-58.2-45.7173.5-73.5-166.4-69-131.213.1112.4I303 L304 D306 Q307 Q312 F313 L314I303-R310 PolarHBondContact O-N 3.01Å; L304-R310 WeakPolarHBondContact O-CD 3.48Å; L304-R310 WeakPolarHBondContact O-CG 3.34Å; L304-R310 PolarHBondContact O-NH1 3.5Å; D306-R310 WeakPolarHBondContact O-CG 3.42Å; D306-R310 PolarHBondContact O-N 3.22Å; Q307-R310 PolarHBondContact O-N 3.46Å; R310-Q312 VanDerWaalsContact C-N 3.34Å; R310-Q312 PolarHBondContact O-N 3.25Å; R310-F313 PolarHBondContact O-N 2.64Å; R310-L314 VanDerWaalsContact O-CB 3.26Å; R310-L314 WeakPolarHBondContact O-CB 3.19Å; R310-L314 PolarHBondContact O-N 3.46Å
311D94.3Very high93.8Very high59 Ų5955.9 Ų55.932%0.31626%0.264SS..Hα-helixtrans-64-40.6-178.6-62.3-16.2000111.6Q307 V308 G309 R315Q307-D311 PolarHBondContact NE2-OD1 3.15Å; Q307-D311 PolarHBondContact O-N 3.38Å; V308-D311 PolarHBondContact O-N 3.5Å; G309-D311 PolarHBondContact O-N 3.14Å; D311-R315 WeakPolarHBondContact O-CG 3.38Å; D311-R315 PolarHBondContact O-N 3.43Å; D311-R315 VanDerWaalsContact O-N 3.08Å
312Q94.2Very high93.8Very high38 Ų3853.8 Ų53.818%0.17825%0.254CS..Hα-helixtrans-70.8-39176.8-64.9-64.2-6.100112.1W296 V308 G309 R310 F316 F404 L413W296-Q312 HydrophobicContact CH2-CG 4.27Å; W296-Q312 HydrophobicContact CZ3-CB 4.45Å; W296-Q312 HydrophobicContact CZ3-CG 4.3Å; V308-Q312 VanDerWaalsContact O-CG 3.31Å; V308-Q312 WeakPolarHBondContact O-CG 3.38Å; V308-Q312 PolarHBondContact O-N 3.21Å; G309-Q312 PolarHBondContact O-N 3.46Å; R310-Q312 VanDerWaalsContact C-N 3.34Å; R310-Q312 PolarHBondContact O-N 3.25Å; Q312-F316 PolarHBondContact O-N 3.39Å; Q312-F316 VanDerWaalsContact O-N 3.13Å; Q312-F404 HydrophobicContact CB-CZ 4.37Å; Q312-L413 HydrophobicContact CB-CD1 4.38Å; Q312-L413 HydrophobicContact CG-CD1 3.88Å
313F96.2Very high93.9Very high0 Ų053.2 Ų53.20%025%0.254CS..Hα-helixtrans-65.1-42.1174.6-172.3-129.4000111.4F300 I303 G309 R310 F316 L317 L326 M396 F404F300-F313 HydrophobicContact CE2-CD1 4.17Å; F300-F313 AromaticContact CE2-CE1 3.46Å; F300-F313 HydrophobicContact CE2-CE1 3.46Å; F300-F313 VanDerWaalsContact CE2-CE1 3.46Å; F300-F313 AromaticContact CE2-CZ 3.8Å; F300-F313 HydrophobicContact CE2-CZ 3.8Å; F300-F313 AromaticContact CZ-CE1 3.91Å; F300-F313 HydrophobicContact CZ-CE1 3.91Å; F300-F313 HydrophobicContact CZ-CZ 4.36Å; I303-F313 HydrophobicContact CD1-CB 3.74Å; I303-F313 HydrophobicContact CD1-CD2 4.39Å; I303-F313 HydrophobicContact CD1-CG 4.11Å; I303-F313 HydrophobicContact CG1-CB 4.29Å; G309-F313 WeakPolarHBondContact O-CB 3.49Å; G309-F313 PolarHBondContact O-N 3.21Å; R310-F313 PolarHBondContact O-N 2.64Å; F313-F316 HydrophobicContact CD2-CD1 4.37Å; F313-F316 HydrophobicContact CE2-CD1 4.34Å; F313-F316 WeakPolarHBondContact O-CB 3.45Å; F313-F316 PolarHBondContact O-N 3.4Å; F313-L317 HydrophobicContact CD1-CD1 4.12Å; F313-L317 HydrophobicContact CE1-CD1 3.76Å; F313-L317 HydrophobicContact CE1-CG 4.41Å; F313-L317 HydrophobicContact CE2-CD1 4.48Å; F313-L317 HydrophobicContact CE2-CD2 4.13Å; F313-L317 HydrophobicContact CE2-CG 4.26Å; F313-L317 HydrophobicContact CZ-CD1 3.97Å; F313-L317 HydrophobicContact CZ-CD2 4.04Å; F313-L317 HydrophobicContact CZ-CG 4.2Å; F313-L317 WeakPolarHBondContact O-CG 3.18Å; F313-L317 PolarHBondContact O-N 2.98Å; F313-L326 HydrophobicContact CD1-CD1 4.24Å; F313-L326 HydrophobicContact CD1-CD2 3.65Å; F313-L326 HydrophobicContact CD1-CG 4.48Å; F313-L326 HydrophobicContact CE1-CD1 4.39Å; F313-L326 HydrophobicContact CE1-CD2 4.26Å; F313-L326 HydrophobicContact CG-CD2 4.44Å; F313-M396 HydrophobicContact CE1-SD 4.29Å; F313-F404 HydrophobicContact CD2-CB 3.78Å; F313-F404 HydrophobicContact CD2-CD1 4.08Å; F313-F404 AromaticContact CD2-CD2 3.94Å; F313-F404 HydrophobicContact CD2-CD2 3.94Å; F313-F404 AromaticContact CD2-CG 3.65Å; F313-F404 HydrophobicContact CD2-CG 3.65Å; F313-F404 HydrophobicContact CE2-CB 3.77Å; F313-F404 HydrophobicContact CE2-CG 4.18Å
314L96.3Very high94Very high39 Ų3955.1 Ų55.120%0.20426%0.263CS..Hα-helixtrans-59.6-48176-177.163.7000111.6R310 F316 L317 E318 L326 R327R310-L314 VanDerWaalsContact O-CB 3.26Å; R310-L314 WeakPolarHBondContact O-CB 3.19Å; R310-L314 PolarHBondContact O-N 3.46Å; L314-F316 VanDerWaalsContact C-N 3.27Å; L314-F316 PolarHBondContact O-N 3.05Å; L314-L317 PolarHBondContact O-N 3.21Å; L314-L317 VanDerWaalsContact O-N 3.11Å; L314-E318 WeakPolarHBondContact O-CG 3.32Å; L314-E318 PolarHBondContact O-N 3.41Å; L314-L326 HydrophobicContact CB-CD2 3.79Å; L314-L326 HydrophobicContact CD1-CD2 3.99Å; L314-L326 HydrophobicContact CD1-CG 4.5Å; L314-L326 HydrophobicContact CG-CD2 4.49Å; L314-R327 HydrophobicContact CD1-CG 4.08Å
315R94.9Very high94.1Very high142 Ų14255.5 Ų55.554%0.53627%0.265SS..Hα-helixtrans-59.1-38.5176.5-74.5176-172.2151.74.9113D311 E318 S319D311-R315 WeakPolarHBondContact O-CG 3.38Å; D311-R315 PolarHBondContact O-N 3.43Å; D311-R315 VanDerWaalsContact O-N 3.08Å; R315-E318 PolarHBondContact O-N 3.16Å; R315-S319 PolarHBondContact O-N 3.42Å; R315-S319 VanDerWaalsContact O-N 3.08Å
316F96.3Very high94.3Very high16 Ų1648.6 Ų48.67%0.0724%0.235CC..Hα-helixtrans-63.3-47.2174.5169-99.2000111Q312 F313 L314 E318 S319 E320 S400 R403 F404Q312-F316 PolarHBondContact O-N 3.39Å; Q312-F316 VanDerWaalsContact O-N 3.13Å; F313-F316 HydrophobicContact CD2-CD1 4.37Å; F313-F316 HydrophobicContact CE2-CD1 4.34Å; F313-F316 WeakPolarHBondContact O-CB 3.45Å; F313-F316 PolarHBondContact O-N 3.4Å; L314-F316 VanDerWaalsContact C-N 3.27Å; L314-F316 PolarHBondContact O-N 3.05Å; F316-E318 VanDerWaalsContact C-N 3.33Å; F316-E318 PolarHBondContact O-N 3.45Å; F316-S319 PolarHBondContact O-N 3.25Å; F316-S319 VanDerWaalsContact O-N 3.16Å; F316-S319 PolarHBondContact O-OG 2.78Å; F316-E320 VanDerWaalsContact CE1-OE2 3.27Å; F316-E320 WeakPolarHBondContact CE1-OE2 3.24Å; F316-E320 HydrophobicContact CE2-CG 4.45Å; F316-E320 HydrophobicContact CZ-CG 4.37Å; F316-E320 WeakPolarHBondContact CZ-OE1 3.47Å; F316-E320 VanDerWaalsContact CZ-OE2 3.24Å; F316-E320 WeakPolarHBondContact CZ-OE2 3.35Å; F316-E320 PolarHBondContact O-N 3.04Å; F316-S400 WeakPolarHBondContact CE1-O 3.07Å; F316-R403 HydrophobicContact CE1-CB 4.4Å; F316-R403 HydrophobicContact CZ-CB 3.96Å; F316-F404 HydrophobicContact CB-CD2 3.64Å; F316-F404 HydrophobicContact CB-CE2 4.11Å; F316-F404 HydrophobicContact CD1-CB 3.72Å; F316-F404 AromaticContact CD1-CD2 3.87Å; F316-F404 HydrophobicContact CD1-CD2 3.87Å; F316-F404 HydrophobicContact CD1-CG 4.27Å; F316-F404 HydrophobicContact CD2-CD2 4.24Å; F316-F404 HydrophobicContact CE1-CB 3.76Å; F316-F404 HydrophobicContact CG-CB 4.27Å; F316-F404 AromaticContact CG-CD2 3.64Å; F316-F404 HydrophobicContact CG-CD2 3.64Å; F316-F404 HydrophobicContact CG-CG 4.45Å; F316-F404 HydrophobicContact CZ-CB 4.34Å
317L95.8Very high94.6Very high0 Ų052.3 Ų52.30%025%0.247CC..Hα-helixtrans-63.7-36.9176.9-63.1175.3000112.7F313 L314 S319 E320 F321 S322 L326 M396 S400F313-L317 HydrophobicContact CD1-CD1 4.12Å; F313-L317 HydrophobicContact CE1-CD1 3.76Å; F313-L317 HydrophobicContact CE1-CG 4.41Å; F313-L317 HydrophobicContact CE2-CD1 4.48Å; F313-L317 HydrophobicContact CE2-CD2 4.13Å; F313-L317 HydrophobicContact CE2-CG 4.26Å; F313-L317 HydrophobicContact CZ-CD1 3.97Å; F313-L317 HydrophobicContact CZ-CD2 4.04Å; F313-L317 HydrophobicContact CZ-CG 4.2Å; F313-L317 WeakPolarHBondContact O-CG 3.18Å; F313-L317 PolarHBondContact O-N 2.98Å; L314-L317 PolarHBondContact O-N 3.21Å; L314-L317 VanDerWaalsContact O-N 3.11Å; L317-S319 VanDerWaalsContact C-N 3.31Å; L317-S319 PolarHBondContact O-N 3.37Å; L317-E320 CarbonylContact O-C 3.59Å; L317-E320 PolarHBondContact O-N 3.27Å; L317-E320 VanDerWaalsContact O-N 3.16Å; L317-F321 PolarHBondContact O-N 2.77Å; L317-S322 PolarHBondContact O-N 3.05Å; L317-S322 PolarHBondContact O-OG 3.05Å; L317-L326 HydrophobicContact CD1-CB 3.49Å; L317-L326 VanDerWaalsContact CD1-CB 3.49Å; L317-L326 HydrophobicContact CD1-CD2 3.9Å; L317-L326 HydrophobicContact CD1-CG 4.33Å; L317-M396 HydrophobicContact CD1-SD 4.49Å; L317-S400 VanDerWaalsContact CD2-CB 3.45Å
318E94.6Very high94.9Very high94 Ų9447.7 Ų47.744%0.43923%0.225SC..Hα-helixtrans-61-40.5173.7-74171.816800111.4L314 R315 F316 E320 F321L314-E318 WeakPolarHBondContact O-CG 3.32Å; L314-E318 PolarHBondContact O-N 3.41Å; R315-E318 PolarHBondContact O-N 3.16Å; F316-E318 VanDerWaalsContact C-N 3.33Å; F316-E318 PolarHBondContact O-N 3.45Å; E318-E320 PolarHBondContact O-N 3.42Å; E318-F321 PolarHBondContact O-N 2.9Å; E318-F321 VanDerWaalsContact O-N 3.16Å
319S93.1Very high95.2Very high81 Ų8147.7 Ų47.757%0.56622%0.222SC*.Hα-helixtrans-66-20.9176.676.60000113.8R315 F316 L317R315-S319 PolarHBondContact O-N 3.42Å; R315-S319 VanDerWaalsContact O-N 3.08Å; F316-S319 PolarHBondContact O-N 3.25Å; F316-S319 VanDerWaalsContact O-N 3.16Å; F316-S319 PolarHBondContact O-OG 2.78Å; L317-S319 VanDerWaalsContact C-N 3.31Å; L317-S319 PolarHBondContact O-N 3.37Å
320E93.6Very high95.3Very high68 Ų6850 Ų5032%0.31823%0.234SC..THydrogen-bonded Turntrans-107.511.9177.3-62.7-174.5144.100112.6F316 L317 E318 S322 R403F316-E320 VanDerWaalsContact CE1-OE2 3.27Å; F316-E320 WeakPolarHBondContact CE1-OE2 3.24Å; F316-E320 HydrophobicContact CE2-CG 4.45Å; F316-E320 HydrophobicContact CZ-CG 4.37Å; F316-E320 WeakPolarHBondContact CZ-OE1 3.47Å; F316-E320 VanDerWaalsContact CZ-OE2 3.24Å; F316-E320 WeakPolarHBondContact CZ-OE2 3.35Å; F316-E320 PolarHBondContact O-N 3.04Å; L317-E320 CarbonylContact O-C 3.59Å; L317-E320 PolarHBondContact O-N 3.27Å; L317-E320 VanDerWaalsContact O-N 3.16Å; E318-E320 PolarHBondContact O-N 3.42Å; E320-S322 VanDerWaalsContact C-N 3.25Å; E320-S322 PolarHBondContact O-N 2.65Å; E320-R403 IonicContact OE1-NH1 3.1Å; E320-R403 PolarHBondContact OE1-NH1 3.02Å; E320-R403 IonicContact OE2-CZ 3.85Å; E320-R403 IonicContact OE2-NH1 2.65Å; E320-R403 PolarHBondContact OE2-NH1 3.17Å; E320-R403 IonicContact OE2-NH2 2.97Å
321F89.8Confident95.4Very high185 Ų18548 Ų4881%0.81123%0.229SC*.THydrogen-bonded Turntrans52.138.9-179.2-54.1-86.3000114L317 E318L317-F321 PolarHBondContact O-N 2.77Å; E318-F321 PolarHBondContact O-N 2.9Å; E318-F321 VanDerWaalsContact O-N 3.16Å
322S94.1Very high95.5Very high15 Ų1545.2 Ų45.211%0.10521%0.214CC..  trans-130.721.1-178600000114.2L317 E320 E324 N325L317-S322 PolarHBondContact O-N 3.05Å; L317-S322 PolarHBondContact O-OG 3.05Å; E320-S322 VanDerWaalsContact C-N 3.25Å; E320-S322 PolarHBondContact O-N 2.65Å; S322-E324 VanDerWaalsContact C-N 3.3Å; S322-E324 WeakPolarHBondContact CA-OE1 3.46Å; S322-E324 VanDerWaalsContact CA-OE2 3.23Å; S322-E324 WeakPolarHBondContact CA-OE2 3.5Å; S322-E324 PolarHBondContact O-N 3.11Å; S322-N325 PolarHBondContact O-ND2 2.98Å
323S95.3Very high95.6Very high21 Ų2146 Ų4615%0.14722%0.218CC..THydrogen-bonded Turntrans-69.7-21.5-17569.90000114.7N325 L326 R327S323-N325 PolarHBondContact O-N 3.16Å; S323-L326 PolarHBondContact O-N 3.42Å; S323-R327 WeakPolarHBondContact O-CG 3.35Å; S323-R327 PolarHBondContact O-N 3.29Å
324E96.5Very high95.5Very high41 Ų4149 Ų4919%0.19223%0.234CC..Hα-helixtrans-56.7-35.3-179.966.3-69.5160.100112.3S322 R327 F328 I363S322-E324 VanDerWaalsContact C-N 3.3Å; S322-E324 WeakPolarHBondContact CA-OE1 3.46Å; S322-E324 VanDerWaalsContact CA-OE2 3.23Å; S322-E324 WeakPolarHBondContact CA-OE2 3.5Å; S322-E324 PolarHBondContact O-N 3.11Å; E324-R327 PolarHBondContact O-N 2.84Å; E324-F328 VanDerWaalsContact O-CB 3.3Å; E324-F328 WeakPolarHBondContact O-CB 3.43Å; E324-F328 PolarHBondContact O-N 3.46Å; E324-I363 HydrophobicContact CB-CG2 4.15Å; E324-I363 HydrophobicContact CG-CG2 3.91Å
325N95.9Very high95.6Very high11 Ų1147.1 Ų47.16%0.05922%0.224CC..Hα-helixtrans-63-45.7178.9-63.5-55.2000112.3S322 S323 W329 I392 M396S322-N325 PolarHBondContact O-ND2 2.98Å; S323-N325 PolarHBondContact O-N 3.16Å; N325-W329 WeakPolarHBondContact O-CB 3.44Å; N325-W329 PolarHBondContact O-N 3.34Å; N325-W329 VanDerWaalsContact O-N 3.07Å; N325-I392 HydrophobicContact CB-CG2 3.84Å; N325-I392 VanDerWaalsContact O-CG2 3.26Å; N325-I392 WeakPolarHBondContact O-CG2 3.26Å; N325-M396 HydrophobicContact CB-CG 3.82Å; N325-M396 HydrophobicContact CB-SD 3.73Å
326L96.7Very high95.6Very high0 Ų042.6 Ų42.60%021%0.208CC..Hα-helixtrans-72.8-39178.6-179.861.6000111L304 F313 L314 L317 S323 W329 L330 M396L304-L326 HydrophobicContact CD2-CD1 3.46Å; L304-L326 VanDerWaalsContact CD2-CD1 3.46Å; F313-L326 HydrophobicContact CD1-CD1 4.24Å; F313-L326 HydrophobicContact CD1-CD2 3.65Å; F313-L326 HydrophobicContact CD1-CG 4.48Å; F313-L326 HydrophobicContact CE1-CD1 4.39Å; F313-L326 HydrophobicContact CE1-CD2 4.26Å; F313-L326 HydrophobicContact CG-CD2 4.44Å; L314-L326 HydrophobicContact CB-CD2 3.79Å; L314-L326 HydrophobicContact CD1-CD2 3.99Å; L314-L326 HydrophobicContact CD1-CG 4.5Å; L314-L326 HydrophobicContact CG-CD2 4.49Å; L317-L326 HydrophobicContact CD1-CB 3.49Å; L317-L326 VanDerWaalsContact CD1-CB 3.49Å; L317-L326 HydrophobicContact CD1-CD2 3.9Å; L317-L326 HydrophobicContact CD1-CG 4.33Å; S323-L326 PolarHBondContact O-N 3.42Å; L326-W329 PolarHBondContact O-N 3.08Å; L326-L330 HydrophobicContact CD1-CD1 4.19Å; L326-L330 HydrophobicContact CD1-CG 4.17Å; L326-L330 HydrophobicContact CG-CD1 3.96Å; L326-L330 HydrophobicContact CG-CG 4.37Å; L326-L330 WeakPolarHBondContact O-CB 3.24Å; L326-L330 VanDerWaalsContact O-CG 3.24Å; L326-L330 WeakPolarHBondContact O-CG 3.27Å; L326-L330 PolarHBondContact O-N 3.48Å; L326-M396 HydrophobicContact CB-SD 3.85Å; L326-M396 HydrophobicContact CD1-SD 4.4Å; L326-M396 PolarHBondContact N-SD 3.23Å; L326-M396 VanDerWaalsContact N-SD 3.44Å
327R97.4Very high95.5Very high105 Ų10549.1 Ų49.140%0.39624%0.237SC..Hα-helixtrans-61.9-45.9176.7-72.1179.962.8170.8-7.2111.5L314 S323 E324 L330 S331 E353 F354L314-R327 HydrophobicContact CD1-CG 4.08Å; S323-R327 WeakPolarHBondContact O-CG 3.35Å; S323-R327 PolarHBondContact O-N 3.29Å; E324-R327 PolarHBondContact O-N 2.84Å; R327-L330 PolarHBondContact O-N 2.79Å; R327-S331 WeakPolarHBondContact O-CB 3.24Å; R327-S331 PolarHBondContact O-N 3.25Å; R327-S331 PolarHBondContact O-OG 3.19Å; R327-E353 IonicContact CZ-OE1 2.73Å; R327-E353 IonicContact NH2-OE1 3.41Å; R327-E353 PolarHBondContact NH2-OE1 2.67Å; R327-F354 HydrophobicContact CB-CE1 3.89Å; R327-F354 HydrophobicContact CB-CZ 3.88Å
328F97.9Very high95.5Very high0 Ų051.3 Ų51.30%025%0.247CC..Hα-helixtrans-57.3-52.1173.1171.9-104.5000111.1E324 L330 S331 V332 I350 F354 L355 I363 F385 A388 I392E324-F328 VanDerWaalsContact O-CB 3.3Å; E324-F328 WeakPolarHBondContact O-CB 3.43Å; E324-F328 PolarHBondContact O-N 3.46Å; F328-L330 VanDerWaalsContact C-N 3.29Å; F328-L330 PolarHBondContact O-N 3.47Å; F328-S331 PolarHBondContact O-N 3.43Å; F328-S331 VanDerWaalsContact O-N 3.12Å; F328-V332 HydrophobicContact CD2-CG2 4.24Å; F328-V332 HydrophobicContact CE1-CG2 4.17Å; F328-V332 HydrophobicContact CE2-CG2 3.8Å; F328-V332 HydrophobicContact CZ-CG2 3.77Å; F328-V332 WeakPolarHBondContact O-CG2 3.31Å; F328-V332 PolarHBondContact O-N 3.36Å; F328-I350 HydrophobicContact CD2-CG2 4.03Å; F328-I350 HydrophobicContact CE2-CG2 3.85Å; F328-F354 HydrophobicContact CB-CB 4.43Å; F328-F354 HydrophobicContact CB-CD1 3.72Å; F328-F354 HydrophobicContact CB-CD2 4.25Å; F328-F354 HydrophobicContact CB-CE1 3.99Å; F328-F354 HydrophobicContact CB-CE2 4.49Å; F328-F354 HydrophobicContact CB-CG 3.87Å; F328-F354 HydrophobicContact CB-CZ 4.37Å; F328-F354 HydrophobicContact CD2-CB 3.66Å; F328-F354 HydrophobicContact CD2-CD1 4.42Å; F328-F354 AromaticContact CD2-CD2 3.82Å; F328-F354 HydrophobicContact CD2-CD2 3.82Å; F328-F354 AromaticContact CD2-CG 3.71Å; F328-F354 HydrophobicContact CD2-CG 3.71Å; F328-F354 HydrophobicContact CE2-CB 4.39Å; F328-F354 HydrophobicContact CG-CB 4.4Å; F328-F354 HydrophobicContact CG-CG 4.26Å; F328-L355 HydrophobicContact CE2-CD1 4.08Å; F328-L355 HydrophobicContact CZ-CD1 4.38Å; F328-I363 HydrophobicContact CB-CD1 4.46Å; F328-I363 HydrophobicContact CB-CG2 3.91Å; F328-I363 HydrophobicContact CD1-CD1 3.63Å; F328-I363 HydrophobicContact CD2-CD1 3.96Å; F328-I363 HydrophobicContact CE1-CD1 3.71Å; F328-I363 HydrophobicContact CE2-CD1 4.05Å; F328-I363 HydrophobicContact CG-CD1 3.74Å; F328-I363 HydrophobicContact CG-CG2 4.35Å; F328-I363 HydrophobicContact CZ-CD1 3.92Å; F328-F385 HydrophobicContact CE2-CD1 4.08Å; F328-F385 HydrophobicContact CE2-CG 4.4Å; F328-F385 HydrophobicContact CZ-CB 4.07Å; F328-F385 HydrophobicContact CZ-CD1 4.21Å; F328-F385 HydrophobicContact CZ-CG 4.39Å; F328-A388 HydrophobicContact CE1-CB 4.03Å; F328-A388 HydrophobicContact CZ-CB 3.7Å; F328-I392 HydrophobicContact CD1-CB 4.18Å; F328-I392 HydrophobicContact CD1-CG1 3.9Å; F328-I392 HydrophobicContact CD1-CG2 4.17Å; F328-I392 HydrophobicContact CE1-CB 4.41Å; F328-I392 HydrophobicContact CE1-CG1 4Å
329W97.1Very high95.5Very high28 Ų2849.9 Ų49.911%0.10625%0.246CC..Hα-helixtrans-57.7-42.4-178.8-173.792.5000112.2L304 N325 L326 V332 Q333 Q389 Y393 M396L304-W329 HydrophobicContact CB-CH2 4.08Å; L304-W329 HydrophobicContact CB-CZ3 4.16Å; L304-W329 HydrophobicContact CD1-CD2 4.38Å; L304-W329 HydrophobicContact CD1-CE3 4.31Å; L304-W329 HydrophobicContact CD1-CH2 3.77Å; L304-W329 HydrophobicContact CD1-CZ2 3.84Å; L304-W329 HydrophobicContact CD1-CZ3 4Å; L304-W329 HydrophobicContact CD2-CE3 4.31Å; L304-W329 HydrophobicContact CD2-CZ3 4.16Å; L304-W329 HydrophobicContact CG-CH2 4.42Å; L304-W329 HydrophobicContact CG-CZ3 4.35Å; N325-W329 WeakPolarHBondContact O-CB 3.44Å; N325-W329 PolarHBondContact O-N 3.34Å; N325-W329 VanDerWaalsContact O-N 3.07Å; L326-W329 PolarHBondContact O-N 3.08Å; W329-V332 PolarHBondContact O-N 2.97Å; W329-Q333 HydrophobicContact CD2-CG 4.05Å; W329-Q333 HydrophobicContact CE3-CG 3.77Å; W329-Q333 HydrophobicContact CH2-CG 3.54Å; W329-Q333 HydrophobicContact CZ2-CG 3.82Å; W329-Q333 HydrophobicContact CZ3-CG 3.52Å; W329-Q333 WeakPolarHBondContact O-CG 3.34Å; W329-Q333 PolarHBondContact O-N 2.79Å; W329-Q389 HydrophobicContact CG-CG 4.23Å; W329-Q389 PolarHBondContact O-NE2 3.43Å; W329-Q389 VanDerWaalsContact O-NE2 3.15Å; W329-Y393 HydrophobicContact CZ2-CD2 4.3Å; W329-Y393 AromaticContact NE1-CD2 3.62Å; W329-M396 HydrophobicContact CB-CE 3.84Å; W329-M396 HydrophobicContact CG-CE 4.11Å
330L96.4Very high95.5Very high49 Ų4952.6 Ų52.626%0.25725%0.253SS..Hα-helixtrans-67.7-40.4176.7-69.5172.2000112.5L326 R327 F328 V332 Q333 D334L326-L330 HydrophobicContact CD1-CD1 4.19Å; L326-L330 HydrophobicContact CD1-CG 4.17Å; L326-L330 HydrophobicContact CG-CD1 3.96Å; L326-L330 HydrophobicContact CG-CG 4.37Å; L326-L330 WeakPolarHBondContact O-CB 3.24Å; L326-L330 VanDerWaalsContact O-CG 3.24Å; L326-L330 WeakPolarHBondContact O-CG 3.27Å; L326-L330 PolarHBondContact O-N 3.48Å; R327-L330 PolarHBondContact O-N 2.79Å; F328-L330 VanDerWaalsContact C-N 3.29Å; F328-L330 PolarHBondContact O-N 3.47Å; L330-V332 VanDerWaalsContact C-N 3.3Å; L330-V332 PolarHBondContact O-N 3.11Å; L330-Q333 WeakPolarHBondContact O-CB 3.21Å; L330-Q333 PolarHBondContact O-N 3.3Å; L330-D334 WeakPolarHBondContact O-CB 3.39Å; L330-D334 PolarHBondContact O-N 2.83Å
331S97Very high95.6Very high16 Ų1657 Ų5711%0.11227%0.274CS..Hα-helixtrans-61.2-38.8175.2-72.20000112R327 F328 D334 L335 R346 I350R327-S331 WeakPolarHBondContact O-CB 3.24Å; R327-S331 PolarHBondContact O-N 3.25Å; R327-S331 PolarHBondContact O-OG 3.19Å; F328-S331 PolarHBondContact O-N 3.43Å; F328-S331 VanDerWaalsContact O-N 3.12Å; S331-D334 PolarHBondContact O-N 2.98Å; S331-L335 PolarHBondContact O-N 3.21Å; S331-R346 PolarHBondContact OG-NH2 3.17Å; S331-I350 WeakPolarHBondContact O-CD1 3.48Å
332V97.1Very high95.8Very high0 Ų051 Ų510%025%0.25CS..Hα-helixtrans-70.8-36.3174.5-179.80000111.8F328 W329 L330 D334 L335 K336 I350 F385 Q389F328-V332 HydrophobicContact CD2-CG2 4.24Å; F328-V332 HydrophobicContact CE1-CG2 4.17Å; F328-V332 HydrophobicContact CE2-CG2 3.8Å; F328-V332 HydrophobicContact CZ-CG2 3.77Å; F328-V332 WeakPolarHBondContact O-CG2 3.31Å; F328-V332 PolarHBondContact O-N 3.36Å; W329-V332 PolarHBondContact O-N 2.97Å; L330-V332 VanDerWaalsContact C-N 3.3Å; L330-V332 PolarHBondContact O-N 3.11Å; V332-D334 VanDerWaalsContact C-N 3.28Å; V332-D334 PolarHBondContact O-N 2.72Å; V332-L335 WeakPolarHBondContact O-CB 3.49Å; V332-L335 PolarHBondContact O-N 3.19Å; V332-K336 PolarHBondContact O-N 3.3Å; V332-I350 HydrophobicContact CG2-CG2 4.33Å; V332-F385 HydrophobicContact CB-CB 4.41Å; V332-F385 HydrophobicContact CG1-CB 3.87Å; V332-F385 HydrophobicContact CG2-CB 3.56Å; V332-F385 HydrophobicContact CG2-CD2 4.08Å; V332-F385 HydrophobicContact CG2-CG 3.95Å; V332-Q389 HydrophobicContact CB-CB 4.44Å; V332-Q389 HydrophobicContact CB-CG 4.32Å; V332-Q389 HydrophobicContact CG1-CB 4.03Å; V332-Q389 VanDerWaalsContact CG1-CD 3.41Å; V332-Q389 HydrophobicContact CG1-CG 4.13Å
333Q95.2Very high95.9Very high54 Ų5450.6 Ų50.625%0.25225%0.247SC..Hα-helixtrans-63.4-34.9172.1-73.6-61.6-34.800112.7W329 L330W329-Q333 HydrophobicContact CD2-CG 4.05Å; W329-Q333 HydrophobicContact CE3-CG 3.77Å; W329-Q333 HydrophobicContact CH2-CG 3.54Å; W329-Q333 HydrophobicContact CZ2-CG 3.82Å; W329-Q333 HydrophobicContact CZ3-CG 3.52Å; W329-Q333 WeakPolarHBondContact O-CG 3.34Å; W329-Q333 PolarHBondContact O-N 2.79Å; L330-Q333 WeakPolarHBondContact O-CB 3.21Å; L330-Q333 PolarHBondContact O-N 3.3Å
334D95.4Very high95.9Very high64 Ų6452.8 Ų52.834%0.34227%0.266SS..Hα-helixtrans-70.3-45.4174.5-177.369.9000111.2L330 S331 V332 K336 K337 Q338 R346L330-D334 WeakPolarHBondContact O-CB 3.39Å; L330-D334 PolarHBondContact O-N 2.83Å; S331-D334 PolarHBondContact O-N 2.98Å; V332-D334 VanDerWaalsContact C-N 3.28Å; V332-D334 PolarHBondContact O-N 2.72Å; D334-K336 VanDerWaalsContact C-N 3.27Å; D334-K336 PolarHBondContact O-N 3.06Å; D334-K337 WeakPolarHBondContact O-CA 3.22Å; D334-K337 WeakPolarHBondContact O-CB 3.33Å; D334-K337 PolarHBondContact O-N 2.79Å; D334-Q338 PolarHBondContact O-N 2.88Å; D334-Q338 PolarHBondContact OD2-NE2 3.15Å; D334-R346 IonicContact OD2-NE 2.93Å
335L96.8Very high95.8Very high0 Ų057.5 Ų57.50%029%0.286CS..Hα-helixtrans-50.7-44.6174.717668.2000112.5S331 V332 K337 Q338 V343 R346 V347 I350 F385S331-L335 PolarHBondContact O-N 3.21Å; V332-L335 WeakPolarHBondContact O-CB 3.49Å; V332-L335 PolarHBondContact O-N 3.19Å; L335-K337 PolarHBondContact O-N 2.74Å; L335-K337 VanDerWaalsContact O-N 3.07Å; L335-Q338 PolarHBondContact O-N 3.12Å; L335-Q338 VanDerWaalsContact O-N 3.12Å; L335-V343 HydrophobicContact CD1-CB 4.5Å; L335-V343 HydrophobicContact CD1-CG1 4.12Å; L335-R346 HydrophobicContact CB-CG 4.32Å; L335-R346 HydrophobicContact CD1-CB 3.68Å; L335-R346 HydrophobicContact CD1-CG 3.68Å; L335-V347 HydrophobicContact CD1-CG2 3.93Å; L335-V347 HydrophobicContact CD2-CG2 3.84Å; L335-I350 HydrophobicContact CB-CD1 3.91Å; L335-I350 HydrophobicContact CD2-CD1 4.24Å; L335-F385 HydrophobicContact CD2-CD2 3.6Å; L335-F385 HydrophobicContact CD2-CE2 3.82Å
336K95.4Very high95.9Very high46 Ų4659.3 Ų59.320%0.229%0.292CS..THydrogen-bonded Turntrans-59.6-20.7178.9-74.5176.2172.9-177.90113.3V332 D334 R382 E386V332-K336 PolarHBondContact O-N 3.3Å; D334-K336 VanDerWaalsContact C-N 3.27Å; D334-K336 PolarHBondContact O-N 3.06Å; K336-R382 VanDerWaalsContact CG-O 3.26Å; K336-R382 WeakPolarHBondContact CG-O 3.35Å; K336-R382 PolarHBondContact O-NH1 2.83Å; K336-E386 IonicContact NZ-OE1 3.95Å; K336-E386 PolarHBondContact NZ-OE1 3.45Å
337K94.8Very high95.9Very high153 Ų15359.5 Ų59.567%0.66529%0.293SS*.THydrogen-bonded Turntrans-103.7-9.6-178.6-60.1170.9-170.7168.70113.5D334 L335D334-K337 WeakPolarHBondContact O-CA 3.22Å; D334-K337 WeakPolarHBondContact O-CB 3.33Å; D334-K337 PolarHBondContact O-N 2.79Å; L335-K337 PolarHBondContact O-N 2.74Å; L335-K337 VanDerWaalsContact O-N 3.07Å
338Q94.9Very high95.8Very high47 Ų4758.8 Ų58.822%0.2229%0.294CS..SBendtrans-65.9145.8-179.1-71-61.5-25.900112.1D334 L335 V343 R346 R382D334-Q338 PolarHBondContact O-N 2.88Å; D334-Q338 PolarHBondContact OD2-NE2 3.15Å; L335-Q338 PolarHBondContact O-N 3.12Å; L335-Q338 VanDerWaalsContact O-N 3.12Å; Q338-V343 HydrophobicContact CB-CG2 4.32Å; Q338-R346 HydrophobicContact CG-CG 4.27Å; Q338-R382 PolarHBondContact O-NE 3.07Å; Q338-R382 PolarHBondContact O-NH2 3.33Å
339P94.9Very high95.8Very high64 Ų6462.4 Ų62.442%0.41631%0.311SS..  trans-54144.6167.5-22.434.1000111.1Q341 D342 V343P339-Q341 HydrophobicContact CB-CG 4.21Å; P339-Q341 PolarHBondContact O-N 3.38Å; P339-Q341 VanDerWaalsContact O-N 3.09Å; P339-D342 PolarHBondContact O-N 2.9Å; P339-V343 PolarHBondContact O-N 2.9Å
340L93.7Very high95.8Very high138 Ų13861 Ų6172%0.72331%0.306SS*.Hα-helixtrans-55-34.2-173.9-74171.9000113.6D342 V343L340-D342 VanDerWaalsContact C-N 3.27Å; L340-D342 PolarHBondContact O-N 3.43Å; L340-V343 PolarHBondContact O-N 3.19Å
341Q94.8Very high95.8Very high161 Ų16160.1 Ų60.175%0.75230%0.299SS*.Hα-helixtrans-64-28.5178.669.7-171.616.200113.8P339P339-Q341 HydrophobicContact CB-CG 4.21Å; P339-Q341 PolarHBondContact O-N 3.38Å; P339-Q341 VanDerWaalsContact O-N 3.09Å
342D94.9Very high95.8Very high59 Ų5964 Ų6432%0.31632%0.316SS..Hα-helixtrans-95.7-11.8-175.5-60.2-50.5000112P339 L340 A344 K345 R346P339-D342 PolarHBondContact O-N 2.9Å; L340-D342 VanDerWaalsContact C-N 3.27Å; L340-D342 PolarHBondContact O-N 3.43Å; D342-A344 PolarHBondContact O-N 2.97Å; D342-K345 PolarHBondContact O-N 3.44Å; D342-R346 WeakPolarHBondContact O-CB 3.44Å; D342-R346 PolarHBondContact O-N 3.12Å
343V95.6Very high95.8Very high6 Ų666.3 Ų66.34%0.03633%0.326CS..Hα-helixtrans-58.8-49.8-176.1169.50000111.5L335 Q338 P339 L340 K345 R346 V347 R382L335-V343 HydrophobicContact CD1-CB 4.5Å; L335-V343 HydrophobicContact CD1-CG1 4.12Å; Q338-V343 HydrophobicContact CB-CG2 4.32Å; P339-V343 PolarHBondContact O-N 2.9Å; L340-V343 PolarHBondContact O-N 3.19Å; V343-K345 VanDerWaalsContact C-N 3.34Å; V343-K345 PolarHBondContact O-N 3.37Å; V343-R346 PolarHBondContact O-N 3.03Å; V343-R346 VanDerWaalsContact O-N 3.17Å; V343-V347 HydrophobicContact CG1-CG2 4.26Å; V343-V347 VanDerWaalsContact O-CG2 3.32Å; V343-V347 WeakPolarHBondContact O-CG2 3.5Å; V343-V347 PolarHBondContact O-N 3.26Å; V343-R382 HydrophobicContact CG1-CG 4.26Å; V343-R382 HydrophobicContact CG2-CG 3.8Å
344A94.8Very high95.9Very high66 Ų6663.8 Ų63.855%0.54531%0.314SS..Hα-helixtrans-60.7-44.2-177.300000111.9D342 V347 E348D342-A344 PolarHBondContact O-N 2.97Å; A344-V347 PolarHBondContact O-N 3.16Å; A344-E348 PolarHBondContact O-N 3.04Å
345K95.5Very high95.9Very high141 Ų14161.2 Ų61.261%0.61330%0.301SS*.Hα-helixtrans-62.6-45.1175.5-174.4-173.2176.8-162.50111.3D342 V343 V347 E348 E349D342-K345 PolarHBondContact O-N 3.44Å; V343-K345 VanDerWaalsContact C-N 3.34Å; V343-K345 PolarHBondContact O-N 3.37Å; K345-V347 VanDerWaalsContact C-N 3.33Å; K345-V347 PolarHBondContact O-N 2.9Å; K345-E348 PolarHBondContact O-N 3.44Å; K345-E349 WeakPolarHBondContact CE-OE1 3.38Å; K345-E349 IonicContact NZ-OE1 3.41Å; K345-E349 WeakPolarHBondContact O-CG 3.48Å; K345-E349 PolarHBondContact O-N 3.34Å
346R97Very high95.7Very high49 Ų4961.5 Ų61.519%0.18530%0.303CS..Hα-helixtrans-67.1-33.4-179.3-171.662.9176.4146.68.8112.4S331 D334 L335 Q338 D342 V343 E349 I350S331-R346 PolarHBondContact OG-NH2 3.17Å; D334-R346 IonicContact OD2-NE 2.93Å; L335-R346 HydrophobicContact CB-CG 4.32Å; L335-R346 HydrophobicContact CD1-CB 3.68Å; L335-R346 HydrophobicContact CD1-CG 3.68Å; Q338-R346 HydrophobicContact CG-CG 4.27Å; D342-R346 WeakPolarHBondContact O-CB 3.44Å; D342-R346 PolarHBondContact O-N 3.12Å; V343-R346 PolarHBondContact O-N 3.03Å; V343-R346 VanDerWaalsContact O-N 3.17Å; R346-E349 WeakPolarHBondContact CD-OE2 3.39Å; R346-E349 IonicContact CZ-OE2 2.97Å; R346-E349 IonicContact NH1-OE2 3.94Å; R346-E349 PolarHBondContact NH1-OE2 3.25Å; R346-E349 PolarHBondContact O-N 2.87Å; R346-I350 HydrophobicContact CG-CD1 4.05Å; R346-I350 VanDerWaalsContact O-CG1 3.25Å; R346-I350 WeakPolarHBondContact O-CG1 3.43Å; R346-I350 PolarHBondContact O-N 3.05Å
347V97.2Very high95.6Very high3 Ų364.9 Ų64.92%0.01833%0.33CS..Hα-helixtrans-60.6-48.5172.6167.30000110.3L335 V343 A344 K345 E349 I350 W351 V377 T384 F385L335-V347 HydrophobicContact CD1-CG2 3.93Å; L335-V347 HydrophobicContact CD2-CG2 3.84Å; V343-V347 HydrophobicContact CG1-CG2 4.26Å; V343-V347 VanDerWaalsContact O-CG2 3.32Å; V343-V347 WeakPolarHBondContact O-CG2 3.5Å; V343-V347 PolarHBondContact O-N 3.26Å; A344-V347 PolarHBondContact O-N 3.16Å; K345-V347 VanDerWaalsContact C-N 3.33Å; K345-V347 PolarHBondContact O-N 2.9Å; V347-E349 PolarHBondContact O-N 3.48Å; V347-I350 PolarHBondContact O-N 3.21Å; V347-W351 WeakPolarHBondContact O-CB 3.42Å; V347-W351 PolarHBondContact O-N 3.16Å; V347-V377 HydrophobicContact CG1-CB 4.49Å; V347-V377 HydrophobicContact CG1-CG1 4.17Å; V347-V377 HydrophobicContact CG1-CG2 4.17Å; V347-T384 HydrophobicContact CG1-CG2 3.95Å; V347-F385 HydrophobicContact CB-CE2 4.22Å; V347-F385 HydrophobicContact CG1-CE2 3.99Å; V347-F385 HydrophobicContact CG1-CZ 3.94Å; V347-F385 HydrophobicContact CG2-CE2 4.11Å; V347-F385 WeakPolarHBondContact O-CZ 3.46Å
348E95.8Very high95.4Very high90 Ų9061.6 Ų61.642%0.42134%0.339SS..Hα-helixtrans-61.6-44.4178.7-171.259.2-145.800111.7A344 K345 I350 W351 Q352A344-E348 PolarHBondContact O-N 3.04Å; K345-E348 PolarHBondContact O-N 3.44Å; E348-I350 PolarHBondContact O-N 3.4Å; E348-W351 PolarHBondContact O-N 3.49Å; E348-Q352 HydrophobicContact CG-CG 4.39Å; E348-Q352 VanDerWaalsContact O-CG 3.29Å; E348-Q352 WeakPolarHBondContact O-CG 3.43Å; E348-Q352 PolarHBondContact O-N 3.29Å; E348-Q352 WeakPolarHBondContact OE1-CG 3.26Å; E348-Q352 PolarHBondContact OE1-NE2 2.93Å
349E96.8Very high95.4Very high76 Ų7659.9 Ų59.936%0.35533%0.333SS..Hα-helixtrans-57.7-45.9176.5-71.5171.9-176.700112.4K345 R346 V347 Q352 E353K345-E349 WeakPolarHBondContact CE-OE1 3.38Å; K345-E349 IonicContact NZ-OE1 3.41Å; K345-E349 WeakPolarHBondContact O-CG 3.48Å; K345-E349 PolarHBondContact O-N 3.34Å; R346-E349 WeakPolarHBondContact CD-OE2 3.39Å; R346-E349 IonicContact CZ-OE2 2.97Å; R346-E349 IonicContact NH1-OE2 3.94Å; R346-E349 PolarHBondContact NH1-OE2 3.25Å; R346-E349 PolarHBondContact O-N 2.87Å; V347-E349 PolarHBondContact O-N 3.48Å; E349-Q352 PolarHBondContact O-N 3.38Å; E349-E353 WeakPolarHBondContact O-CB 3.26Å; E349-E353 PolarHBondContact O-N 3.33Å
350I97.5Very high95.3Very high0 Ų062.2 Ų62.20%035%0.348CS..Hα-helixtrans-67-40.8179.3-67.3171.1000110.7F328 S331 V332 L335 R346 V347 E348 E353 F354 F385F328-I350 HydrophobicContact CD2-CG2 4.03Å; F328-I350 HydrophobicContact CE2-CG2 3.85Å; S331-I350 WeakPolarHBondContact O-CD1 3.48Å; V332-I350 HydrophobicContact CG2-CG2 4.33Å; L335-I350 HydrophobicContact CB-CD1 3.91Å; L335-I350 HydrophobicContact CD2-CD1 4.24Å; R346-I350 HydrophobicContact CG-CD1 4.05Å; R346-I350 VanDerWaalsContact O-CG1 3.25Å; R346-I350 WeakPolarHBondContact O-CG1 3.43Å; R346-I350 PolarHBondContact O-N 3.05Å; V347-I350 PolarHBondContact O-N 3.21Å; E348-I350 PolarHBondContact O-N 3.4Å; I350-E353 PolarHBondContact O-N 3.44Å; I350-F354 HydrophobicContact CG2-CD2 4.09Å; I350-F354 WeakPolarHBondContact O-CD2 3.4Å; I350-F354 PolarHBondContact O-N 3.15Å; I350-F354 VanDerWaalsContact O-N 3.13Å; I350-F385 HydrophobicContact CB-CE2 3.86Å; I350-F385 HydrophobicContact CB-CZ 3.85Å; I350-F385 HydrophobicContact CD1-CE2 4.3Å; I350-F385 HydrophobicContact CG2-CD1 4.29Å; I350-F385 HydrophobicContact CG2-CD2 4.08Å; I350-F385 HydrophobicContact CG2-CE1 3.96Å; I350-F385 HydrophobicContact CG2-CE2 3.71Å; I350-F385 HydrophobicContact CG2-CG 4.37Å; I350-F385 HydrophobicContact CG2-CZ 3.65Å
351W96.3Very high95.3Very high30 Ų3057.1 Ų57.111%0.11432%0.324CS..Hα-helixtrans-59.8-50175.9175.4-103.6000111V347 E348 E353 L355 A356 Y370 T373 V377 F385V347-W351 WeakPolarHBondContact O-CB 3.42Å; V347-W351 PolarHBondContact O-N 3.16Å; E348-W351 PolarHBondContact O-N 3.49Å; W351-E353 PolarHBondContact O-N 3.07Å; W351-L355 HydrophobicContact CD2-CB 4.19Å; W351-L355 HydrophobicContact CE3-CB 3.56Å; W351-L355 HydrophobicContact CE3-CD1 3.99Å; W351-L355 HydrophobicContact CE3-CG 4.44Å; W351-L355 HydrophobicContact CH2-CB 4.42Å; W351-L355 HydrophobicContact CZ3-CB 3.71Å; W351-L355 HydrophobicContact CZ3-CD1 4.13Å; W351-L355 CarbonylContact O-C 3.56Å; W351-L355 PolarHBondContact O-N 3.19Å; W351-A356 PolarHBondContact O-N 2.88Å; W351-Y370 HydrophobicContact CH2-CE2 4.21Å; W351-T373 HydrophobicContact CZ3-CG2 4.3Å; W351-V377 HydrophobicContact CB-CG1 4.35Å; W351-V377 HydrophobicContact CD2-CG1 4.25Å; W351-V377 HydrophobicContact CD2-CG2 4.18Å; W351-V377 HydrophobicContact CE3-CB 4.47Å; W351-V377 HydrophobicContact CE3-CG2 3.71Å; W351-V377 HydrophobicContact CG-CG1 4.14Å; W351-V377 HydrophobicContact CZ3-CG2 4.29Å; W351-F385 HydrophobicContact CB-CZ 4.33Å; W351-F385 HydrophobicContact CE3-CE1 4.45Å
352Q96.9Very high95.3Very high97 Ų9752.5 Ų52.545%0.45331%0.313SS..Hα-helixtrans-66.1-34.9-179.4-65.2-62.5-26.800113.4E348 E349 P360E348-Q352 HydrophobicContact CG-CG 4.39Å; E348-Q352 VanDerWaalsContact O-CG 3.29Å; E348-Q352 WeakPolarHBondContact O-CG 3.43Å; E348-Q352 PolarHBondContact O-N 3.29Å; E348-Q352 WeakPolarHBondContact OE1-CG 3.26Å; E348-Q352 PolarHBondContact OE1-NE2 2.93Å; E349-Q352 PolarHBondContact O-N 3.38Å; Q352-P360 WeakPolarHBondContact O-CD 3.19Å
353E97.3Very high95.3Very high48 Ų4850.4 Ų50.422%0.22430%0.302CS..Hα-helixtrans-74.5-37.6-179.2-173.2177.4178.200112.8R327 E349 I350 W351 S361R327-E353 IonicContact CZ-OE1 2.73Å; R327-E353 IonicContact NH2-OE1 3.41Å; R327-E353 PolarHBondContact NH2-OE1 2.67Å; E349-E353 WeakPolarHBondContact O-CB 3.26Å; E349-E353 PolarHBondContact O-N 3.33Å; I350-E353 PolarHBondContact O-N 3.44Å; W351-E353 PolarHBondContact O-N 3.07Å; E353-S361 CarbonylContact O-C 3.49Å; E353-S361 WeakPolarHBondContact O-CA 3.41Å; E353-S361 PolarHBondContact O-N 2.92Å
354F97.1Very high94.9Very high1 Ų156.2 Ų56.20%0.00433%0.333CS..Hα-helixtrans-121-23.7-166.1-60.9-75.9000116.2R327 F328 I350 S361 A362 I363R327-F354 HydrophobicContact CB-CE1 3.89Å; R327-F354 HydrophobicContact CB-CZ 3.88Å; F328-F354 HydrophobicContact CB-CB 4.43Å; F328-F354 HydrophobicContact CB-CD1 3.72Å; F328-F354 HydrophobicContact CB-CD2 4.25Å; F328-F354 HydrophobicContact CB-CE1 3.99Å; F328-F354 HydrophobicContact CB-CE2 4.49Å; F328-F354 HydrophobicContact CB-CG 3.87Å; F328-F354 HydrophobicContact CB-CZ 4.37Å; F328-F354 HydrophobicContact CD2-CB 3.66Å; F328-F354 HydrophobicContact CD2-CD1 4.42Å; F328-F354 AromaticContact CD2-CD2 3.82Å; F328-F354 HydrophobicContact CD2-CD2 3.82Å; F328-F354 AromaticContact CD2-CG 3.71Å; F328-F354 HydrophobicContact CD2-CG 3.71Å; F328-F354 HydrophobicContact CE2-CB 4.39Å; F328-F354 HydrophobicContact CG-CB 4.4Å; F328-F354 HydrophobicContact CG-CG 4.26Å; I350-F354 HydrophobicContact CG2-CD2 4.09Å; I350-F354 WeakPolarHBondContact O-CD2 3.4Å; I350-F354 PolarHBondContact O-N 3.15Å; I350-F354 VanDerWaalsContact O-N 3.13Å; F354-S361 VanDerWaalsContact CD1-O 3.31Å; F354-S361 WeakPolarHBondContact CD1-O 3.44Å; F354-A362 WeakPolarHBondContact O-CA 3.33Å; F354-I363 HydrophobicContact CB-CG1 4.39Å; F354-I363 HydrophobicContact CB-CG2 4.37Å; F354-I363 HydrophobicContact CD1-CG2 4.05Å; F354-I363 WeakPolarHBondContact O-CG1 3.33Å; F354-I363 PolarHBondContact O-N 3.06Å
355L95.6Very high94.7Very high10 Ų1054.1 Ų54.15%0.05231%0.312CS..THydrogen-bonded Turntrans-128.7-24.1-168.7-72.3170.3000114.7F328 W351 I363 L365 Y370 T373 F385F328-L355 HydrophobicContact CE2-CD1 4.08Å; F328-L355 HydrophobicContact CZ-CD1 4.38Å; W351-L355 HydrophobicContact CD2-CB 4.19Å; W351-L355 HydrophobicContact CE3-CB 3.56Å; W351-L355 HydrophobicContact CE3-CD1 3.99Å; W351-L355 HydrophobicContact CE3-CG 4.44Å; W351-L355 HydrophobicContact CH2-CB 4.42Å; W351-L355 HydrophobicContact CZ3-CB 3.71Å; W351-L355 HydrophobicContact CZ3-CD1 4.13Å; W351-L355 CarbonylContact O-C 3.56Å; W351-L355 PolarHBondContact O-N 3.19Å; L355-I363 HydrophobicContact CD2-CD1 3.77Å; L355-I363 HydrophobicContact CD2-CG1 3.67Å; L355-I363 HydrophobicContact CG-CD1 4.27Å; L355-I363 HydrophobicContact CG-CG1 4.29Å; L355-L365 HydrophobicContact CD2-CB 4.48Å; L355-L365 HydrophobicContact CD2-CD2 3.86Å; L355-Y370 HydrophobicContact CD2-CD2 4.16Å; L355-Y370 HydrophobicContact CD2-CE2 4.42Å; L355-Y370 WeakPolarHBondContact O-CE2 3.46Å; L355-Y370 PolarHBondContact O-OH 2.62Å; L355-T373 HydrophobicContact CD1-CG2 3.74Å; L355-F385 HydrophobicContact CD1-CD1 3.89Å; L355-F385 HydrophobicContact CD1-CE1 3.9Å
356A93.7Very high94.5Very high7 Ų750.5 Ų50.56%0.05830%0.3CS..SBendtrans-59.9150.9179.400000111.9W351 G358 A359W351-A356 PolarHBondContact O-N 2.88Å; A356-G358 PolarHBondContact O-N 3.47Å; A356-G358 VanDerWaalsContact O-N 3.1Å; A356-A359 WeakPolarHBondContact O-CB 3.24Å; A356-A359 PolarHBondContact O-N 2.98Å
357P91.8Very high94.1Very high117 Ų11752.5 Ų52.576%0.7632%0.322SS*.THydrogen-bonded Turntrans-56.1119.2173.5-25.134.6000111.2
358G91.3Very high93.8Very high83 Ų8358.4 Ų58.486%0.85635%0.348SS*.THydrogen-bonded Turntrans80.617.6-175.400000114.8A356A356-G358 PolarHBondContact O-N 3.47Å; A356-G358 VanDerWaalsContact O-N 3.1Å
359A94.6Very high93.5Very high12 Ų1254.6 Ų54.610%0.09933%0.332CS..  trans-53.1137.4177.100000112.1A356 S361 A362A356-A359 WeakPolarHBondContact O-CB 3.24Å; A356-A359 PolarHBondContact O-N 2.98Å; A359-S361 PolarHBondContact O-N 3.4Å; A359-A362 HydrophobicContact CB-CB 4.18Å; A359-A362 PolarHBondContact O-N 3.45Å
360P93.1Very high93.3Very high112 Ų11254.8 Ų54.873%0.72733%0.33SS*.THydrogen-bonded Turntrans-67.6-20.1-17628.4-36.1000113.4Q352Q352-P360 WeakPolarHBondContact O-CD 3.19Å
361S94.3Very high93.1Very high32 Ų3260.2 Ų60.222%0.22436%0.356CS..THydrogen-bonded Turntrans-132.949.1176.3-64.10000110.3E353 F354 A359 I363E353-S361 CarbonylContact O-C 3.49Å; E353-S361 WeakPolarHBondContact O-CA 3.41Å; E353-S361 PolarHBondContact O-N 2.92Å; F354-S361 VanDerWaalsContact CD1-O 3.31Å; F354-S361 WeakPolarHBondContact CD1-O 3.44Å; A359-S361 PolarHBondContact O-N 3.4Å; S361-I363 PolarHBondContact O-N 3.36Å
362A93.5Very high92.8Very high63 Ų6360.9 Ų60.952%0.52136%0.361SS..  trans-54.7120.8-177.400000112.3F354 A359F354-A362 WeakPolarHBondContact O-CA 3.33Å; A359-A362 HydrophobicContact CB-CB 4.18Å; A359-A362 PolarHBondContact O-N 3.45Å
363I94.9Very high92.6Very high16 Ų1656.2 Ų56.28%0.08234%0.339CS..  trans-84.7150.7175.257165.2000111E324 F328 F354 L355 S361 L365 I392E324-I363 HydrophobicContact CB-CG2 4.15Å; E324-I363 HydrophobicContact CG-CG2 3.91Å; F328-I363 HydrophobicContact CB-CD1 4.46Å; F328-I363 HydrophobicContact CB-CG2 3.91Å; F328-I363 HydrophobicContact CD1-CD1 3.63Å; F328-I363 HydrophobicContact CD2-CD1 3.96Å; F328-I363 HydrophobicContact CE1-CD1 3.71Å; F328-I363 HydrophobicContact CE2-CD1 4.05Å; F328-I363 HydrophobicContact CG-CD1 3.74Å; F328-I363 HydrophobicContact CG-CG2 4.35Å; F328-I363 HydrophobicContact CZ-CD1 3.92Å; F354-I363 HydrophobicContact CB-CG1 4.39Å; F354-I363 HydrophobicContact CB-CG2 4.37Å; F354-I363 HydrophobicContact CD1-CG2 4.05Å; F354-I363 WeakPolarHBondContact O-CG1 3.33Å; F354-I363 PolarHBondContact O-N 3.06Å; L355-I363 HydrophobicContact CD2-CD1 3.77Å; L355-I363 HydrophobicContact CD2-CG1 3.67Å; L355-I363 HydrophobicContact CG-CD1 4.27Å; L355-I363 HydrophobicContact CG-CG1 4.29Å; S361-I363 PolarHBondContact O-N 3.36Å; I363-L365 PolarHBondContact O-N 3.48Å; I363-I392 HydrophobicContact CB-CD1 4.13Å; I363-I392 HydrophobicContact CD1-CD1 3.86Å; I363-I392 HydrophobicContact CD1-CG1 3.71Å; I363-I392 HydrophobicContact CG1-CD1 4.47Å
364N88.6Confident92.3Very high127 Ų12756 Ų5668%0.67934%0.343SS*.  trans-82.5114.4172.2-17110.3000109.8I392N364-I392 WeakPolarHBondContact O-CD1 3.4Å
365L91Very high92.1Very high22 Ų2262.1 Ų62.112%0.11537%0.371CS..  trans-129.8140.6-178.1-166.969.1000109.7L355 I363 A388 H391 I392L355-L365 HydrophobicContact CD2-CB 4.48Å; L355-L365 HydrophobicContact CD2-CD2 3.86Å; I363-L365 PolarHBondContact O-N 3.48Å; L365-A388 HydrophobicContact CD1-CB 4.04Å; L365-A388 HydrophobicContact CD2-CB 3.74Å; L365-H391 HydrophobicContact CD1-CB 3.74Å; L365-I392 HydrophobicContact CD1-CG1 4.4Å
366D89.8Confident91.8Very high65 Ų6564.6 Ų64.635%0.34838%0.384SS..  trans-65154.9174.564.525.8000112H368 S369 Y370 H391D366-H368 PolarHBondContact O-N 3.28Å; D366-S369 PolarHBondContact O-N 3.36Å; D366-S369 WeakPolarHBondContact OD1-CB 3.44Å; D366-S369 PolarHBondContact OD1-N 2.69Å; D366-S369 PolarHBondContact OD1-OG 2.87Å; D366-Y370 WeakPolarHBondContact O-CB 3.43Å; D366-Y370 PolarHBondContact O-N 3.22Å; D366-H391 VanDerWaalsContact CG-CE1 3.49Å; D366-H391 IonicContact OD1-ND1 3.38Å; D366-H391 IonicContact OD2-CE1 2.67Å; D366-H391 PolarHBondContact OD2-CE1 2.94Å; D366-H391 IonicContact OD2-ND1 2.92Å; D366-H391 PolarHBondContact OD2-ND1 3.28Å
367S89.6Confident91.7Very high92 Ų9265.3 Ų65.364%0.64339%0.388SS*.Hα-helixtrans-57.9-36.4-175.6-52.50000112.3Y370 E371S367-Y370 PolarHBondContact O-N 3.1Å; S367-E371 WeakPolarHBondContact O-CB 3.42Å; S367-E371 VanDerWaalsContact O-CG 3.29Å; S367-E371 WeakPolarHBondContact O-CG 3.31Å; S367-E371 PolarHBondContact O-N 3.36Å
368H90Very high91.6Very high126 Ų12668.1 Ų68.158%0.58339%0.389SS*.Hα-helixtrans-64.8-51.2-179.7-175.858.9000112.4D366 Y370 E371 I372D366-H368 PolarHBondContact O-N 3.28Å; H368-Y370 VanDerWaalsContact C-N 3.3Å; H368-Y370 PolarHBondContact O-N 3.4Å; H368-E371 PolarHBondContact O-N 3.36Å; H368-I372 WeakPolarHBondContact NE2-CD1 3.3Å; H368-I372 WeakPolarHBondContact O-CG1 3.47Å; H368-I372 PolarHBondContact O-N 3.34Å; H368-I372 VanDerWaalsContact O-N 3.15Å
369S90.4Very high91.4Very high11 Ų1171.3 Ų71.38%0.07739%0.386CS..Hα-helixtrans-68.5-32.6-179.9-50.20000111.3D366 T373D366-S369 PolarHBondContact O-N 3.36Å; D366-S369 WeakPolarHBondContact OD1-CB 3.44Å; D366-S369 PolarHBondContact OD1-N 2.69Å; D366-S369 PolarHBondContact OD1-OG 2.87Å; S369-T373 VanDerWaalsContact O-CB 3.27Å; S369-T373 WeakPolarHBondContact O-CB 3.09Å; S369-T373 PolarHBondContact O-N 3.48Å; S369-T373 PolarHBondContact O-OG1 3.05Å
370Y92.9Very high91Very high79 Ų7972 Ų7231%0.3139%0.394SS..Hα-helixtrans-64.7-46174.8-175.3-90000112.1W351 L355 D366 S367 H368 T373 S374W351-Y370 HydrophobicContact CH2-CE2 4.21Å; L355-Y370 HydrophobicContact CD2-CD2 4.16Å; L355-Y370 HydrophobicContact CD2-CE2 4.42Å; L355-Y370 WeakPolarHBondContact O-CE2 3.46Å; L355-Y370 PolarHBondContact O-OH 2.62Å; D366-Y370 WeakPolarHBondContact O-CB 3.43Å; D366-Y370 PolarHBondContact O-N 3.22Å; S367-Y370 PolarHBondContact O-N 3.1Å; H368-Y370 VanDerWaalsContact C-N 3.3Å; H368-Y370 PolarHBondContact O-N 3.4Å; Y370-T373 PolarHBondContact O-N 3Å; Y370-S374 VanDerWaalsContact O-CB 3.23Å; Y370-S374 WeakPolarHBondContact O-CB 3.23Å; Y370-S374 PolarHBondContact O-N 3.17Å
371E91.6Very high90.9Very high115 Ų11568 Ų6854%0.53737%0.373SS..Hα-helixtrans-62-46.4178.1-77172.3-162.500112.2S367 H368 S374 Q375S367-E371 WeakPolarHBondContact O-CB 3.42Å; S367-E371 VanDerWaalsContact O-CG 3.29Å; S367-E371 WeakPolarHBondContact O-CG 3.31Å; S367-E371 PolarHBondContact O-N 3.36Å; H368-E371 PolarHBondContact O-N 3.36Å; E371-S374 PolarHBondContact O-N 2.95Å; E371-Q375 WeakPolarHBondContact O-CG 3.4Å; E371-Q375 PolarHBondContact O-N 2.99Å; E371-Q375 VanDerWaalsContact O-N 3.11Å
372I90.9Very high90.9Very high43 Ų4370 Ų7022%0.22138%0.376CS..Hα-helixtrans-60.5-49.2177-68.1169.9000110.3H368 S374 Q375 N376 D387H368-I372 WeakPolarHBondContact NE2-CD1 3.3Å; H368-I372 WeakPolarHBondContact O-CG1 3.47Å; H368-I372 PolarHBondContact O-N 3.34Å; H368-I372 VanDerWaalsContact O-N 3.15Å; I372-S374 VanDerWaalsContact C-N 3.33Å; I372-S374 PolarHBondContact O-N 3.17Å; I372-Q375 PolarHBondContact O-N 2.93Å; I372-N376 VanDerWaalsContact O-CG 3.25Å; I372-N376 PolarHBondContact O-N 2.91Å; I372-D387 HydrophobicContact CG2-CB 4.43Å; I372-D387 WeakPolarHBondContact CG2-OD2 3.43Å
373T92.4Very high91Very high0 Ų074.1 Ų74.10%038%0.379CS..Hα-helixtrans-62.4-41.8-179.1-56.40000111.3W351 L355 S369 Y370 Q375 N376 V377 F385 A388W351-T373 HydrophobicContact CZ3-CG2 4.3Å; L355-T373 HydrophobicContact CD1-CG2 3.74Å; S369-T373 VanDerWaalsContact O-CB 3.27Å; S369-T373 WeakPolarHBondContact O-CB 3.09Å; S369-T373 PolarHBondContact O-N 3.48Å; S369-T373 PolarHBondContact O-OG1 3.05Å; Y370-T373 PolarHBondContact O-N 3Å; T373-Q375 VanDerWaalsContact C-N 3.29Å; T373-Q375 PolarHBondContact O-N 3.41Å; T373-N376 PolarHBondContact O-N 3.2Å; T373-V377 HydrophobicContact CG2-CG2 4.32Å; T373-V377 VanDerWaalsContact O-CG2 3.25Å; T373-V377 WeakPolarHBondContact O-CG2 3.25Å; T373-V377 PolarHBondContact O-N 3.4Å; T373-F385 HydrophobicContact CG2-CD1 3.48Å; T373-F385 VanDerWaalsContact CG2-CD1 3.48Å; T373-F385 HydrophobicContact CG2-CE1 3.86Å; T373-F385 HydrophobicContact CG2-CG 4.48Å; T373-A388 HydrophobicContact CG2-CB 4.47Å
374S91.8Very high91Very high43 Ų4373.7 Ų73.730%0.30138%0.377SS..Hα-helixtrans-60.2-36.5176.7-179.30000112.8Y370 E371 I372Y370-S374 VanDerWaalsContact O-CB 3.23Å; Y370-S374 WeakPolarHBondContact O-CB 3.23Å; Y370-S374 PolarHBondContact O-N 3.17Å; E371-S374 PolarHBondContact O-N 2.95Å; I372-S374 VanDerWaalsContact C-N 3.33Å; I372-S374 PolarHBondContact O-N 3.17Å
375Q91.8Very high91.4Very high130 Ų13067.6 Ų67.661%0.60734%0.344SS*.Hα-helixtrans-70.9-45.3173.2-67.917915.900111.6E371 I372 T373 V377 K378E371-Q375 WeakPolarHBondContact O-CG 3.4Å; E371-Q375 PolarHBondContact O-N 2.99Å; E371-Q375 VanDerWaalsContact O-N 3.11Å; I372-Q375 PolarHBondContact O-N 2.93Å; T373-Q375 VanDerWaalsContact C-N 3.29Å; T373-Q375 PolarHBondContact O-N 3.41Å; Q375-V377 VanDerWaalsContact C-N 3.27Å; Q375-V377 PolarHBondContact O-N 3.47Å; Q375-K378 WeakPolarHBondContact O-CB 3.44Å; Q375-K378 PolarHBondContact O-N 3.38Å
376N90.5Very high91.6Very high61 Ų6170.7 Ų70.733%0.32636%0.358SS..Hα-helixtrans-64.7-27.6-178.7-68.8-14.1000113.6I372 T373 K378 D379 T384I372-N376 VanDerWaalsContact O-CG 3.25Å; I372-N376 PolarHBondContact O-N 2.91Å; T373-N376 PolarHBondContact O-N 3.2Å; N376-K378 PolarHBondContact O-N 2.91Å; N376-D379 CarbonylContact O-C 3.32Å; N376-D379 VanDerWaalsContact O-C 3.32Å; N376-D379 PolarHBondContact O-N 2.97Å; N376-T384 HydrophobicContact CB-CG2 3.94Å; N376-T384 PolarHBondContact ND2-O 3.06Å; N376-T384 PolarHBondContact O-OG1 3.09Å
377V91.6Very high91.7Very high22 Ų2270.6 Ų70.613%0.13336%0.358CS..Hα-helixtrans-68.2-24.6177.9168.80000112V347 W351 T373 Q375 D379 T384 F385V347-V377 HydrophobicContact CG1-CB 4.49Å; V347-V377 HydrophobicContact CG1-CG1 4.17Å; V347-V377 HydrophobicContact CG1-CG2 4.17Å; W351-V377 HydrophobicContact CB-CG1 4.35Å; W351-V377 HydrophobicContact CD2-CG1 4.25Å; W351-V377 HydrophobicContact CD2-CG2 4.18Å; W351-V377 HydrophobicContact CE3-CB 4.47Å; W351-V377 HydrophobicContact CE3-CG2 3.71Å; W351-V377 HydrophobicContact CG-CG1 4.14Å; W351-V377 HydrophobicContact CZ3-CG2 4.29Å; T373-V377 HydrophobicContact CG2-CG2 4.32Å; T373-V377 VanDerWaalsContact O-CG2 3.25Å; T373-V377 WeakPolarHBondContact O-CG2 3.25Å; T373-V377 PolarHBondContact O-N 3.4Å; Q375-V377 VanDerWaalsContact C-N 3.27Å; Q375-V377 PolarHBondContact O-N 3.47Å; V377-D379 PolarHBondContact O-N 3.36Å; V377-T384 HydrophobicContact CB-CG2 4.23Å; V377-T384 HydrophobicContact CG2-CG2 3.42Å; V377-T384 VanDerWaalsContact CG2-CG2 3.42Å; V377-F385 HydrophobicContact CG2-CE1 3.99Å; V377-F385 HydrophobicContact CG2-CZ 4.12Å
378K88.9Confident92Very high177 Ų17766.2 Ų66.277%0.7733%0.327SS*.THydrogen-bonded Turntrans-63.7-29.6177.8-62.5179.8-178.9177.10113Q375 N376Q375-K378 WeakPolarHBondContact O-CB 3.44Å; Q375-K378 PolarHBondContact O-N 3.38Å; N376-K378 PolarHBondContact O-N 2.91Å
379D86.8Confident92.2Very high149 Ų14960.7 Ų60.780%0.79730%0.301SS*.THydrogen-bonded Turntrans-128.470.7172.4-171.421.5000109N376 V377 G381N376-D379 CarbonylContact O-C 3.32Å; N376-D379 VanDerWaalsContact O-C 3.32Å; N376-D379 PolarHBondContact O-N 2.97Å; V377-D379 PolarHBondContact O-N 3.36Å; D379-G381 PolarHBondContact O-N 3.09Å
380G85.9Confident92.5Very high26 Ų2664.9 Ų64.927%0.26832%0.32SS..  trans-63.3124-169.100000114.3T384G380-T384 WeakPolarHBondContact CA-OG1 3.22Å
381G91.1Very high92.5Very high28 Ų2863.6 Ų63.629%0.28932%0.317SS..  trans-131.8-178.6174.600000112.8D379 Y383 T384D379-G381 PolarHBondContact O-N 3.09Å; G381-Y383 PolarHBondContact O-N 3.28Å; G381-T384 PolarHBondContact N-OG1 3.18Å; G381-T384 WeakPolarHBondContact O-CB 3.49Å; G381-T384 PolarHBondContact O-N 2.97Å; G381-T384 PolarHBondContact O-OG1 3.36Å; G381-T384 VanDerWaalsContact O-OG1 3.09Å
382R95.3Very high92.7Very high76 Ų7658.1 Ų58.129%0.28729%0.291SS..THydrogen-bonded Turntrans-62.1-19.2-177.9-69.4-175.6179-164.44.3114.3K336 Q338 V343K336-R382 VanDerWaalsContact CG-O 3.26Å; K336-R382 WeakPolarHBondContact CG-O 3.35Å; K336-R382 PolarHBondContact O-NH1 2.83Å; Q338-R382 PolarHBondContact O-NE 3.07Å; Q338-R382 PolarHBondContact O-NH2 3.33Å; V343-R382 HydrophobicContact CG1-CG 4.26Å; V343-R382 HydrophobicContact CG2-CG 3.8Å
383Y95.2Very high93Very high149 Ų14957.8 Ų57.858%0.58429%0.287SS*.THydrogen-bonded Turntrans-111.810.4-175.7-53.9-78.7000112.5G381 F385 E386G381-Y383 PolarHBondContact O-N 3.28Å; Y383-F385 PolarHBondContact O-N 3.23Å; Y383-F385 VanDerWaalsContact O-N 3.12Å; Y383-E386 WeakPolarHBondContact O-CB 3.08Å; Y383-E386 PolarHBondContact O-N 2.78Å; Y383-E386 VanDerWaalsContact O-N 3.07Å
384T94.9Very high93.1Very high6 Ų663.4 Ų63.44%0.03731%0.311CS..THydrogen-bonded Turntrans-53.9-35.8-177.7-73.40000114V347 N376 V377 G380 G381V347-T384 HydrophobicContact CG1-CG2 3.95Å; N376-T384 HydrophobicContact CB-CG2 3.94Å; N376-T384 PolarHBondContact ND2-O 3.06Å; N376-T384 PolarHBondContact O-OG1 3.09Å; V377-T384 HydrophobicContact CB-CG2 4.23Å; V377-T384 HydrophobicContact CG2-CG2 3.42Å; V377-T384 VanDerWaalsContact CG2-CG2 3.42Å; G380-T384 WeakPolarHBondContact CA-OG1 3.22Å; G381-T384 PolarHBondContact N-OG1 3.18Å; G381-T384 WeakPolarHBondContact O-CB 3.49Å; G381-T384 PolarHBondContact O-N 2.97Å; G381-T384 PolarHBondContact O-OG1 3.36Å; G381-T384 VanDerWaalsContact O-OG1 3.09Å
385F96.8Very high93.2Very high0 Ų064 Ų640%031%0.311CS..THydrogen-bonded Turntrans-102.320.2-177.7-56-77.8000113.3F328 V332 L335 V347 I350 W351 L355 T373 V377 Y383 A388 Q389F328-F385 HydrophobicContact CE2-CD1 4.08Å; F328-F385 HydrophobicContact CE2-CG 4.4Å; F328-F385 HydrophobicContact CZ-CB 4.07Å; F328-F385 HydrophobicContact CZ-CD1 4.21Å; F328-F385 HydrophobicContact CZ-CG 4.39Å; V332-F385 HydrophobicContact CB-CB 4.41Å; V332-F385 HydrophobicContact CG1-CB 3.87Å; V332-F385 HydrophobicContact CG2-CB 3.56Å; V332-F385 HydrophobicContact CG2-CD2 4.08Å; V332-F385 HydrophobicContact CG2-CG 3.95Å; L335-F385 HydrophobicContact CD2-CD2 3.6Å; L335-F385 HydrophobicContact CD2-CE2 3.82Å; V347-F385 HydrophobicContact CB-CE2 4.22Å; V347-F385 HydrophobicContact CG1-CE2 3.99Å; V347-F385 HydrophobicContact CG1-CZ 3.94Å; V347-F385 HydrophobicContact CG2-CE2 4.11Å; V347-F385 WeakPolarHBondContact O-CZ 3.46Å; I350-F385 HydrophobicContact CB-CE2 3.86Å; I350-F385 HydrophobicContact CB-CZ 3.85Å; I350-F385 HydrophobicContact CD1-CE2 4.3Å; I350-F385 HydrophobicContact CG2-CD1 4.29Å; I350-F385 HydrophobicContact CG2-CD2 4.08Å; I350-F385 HydrophobicContact CG2-CE1 3.96Å; I350-F385 HydrophobicContact CG2-CE2 3.71Å; I350-F385 HydrophobicContact CG2-CG 4.37Å; I350-F385 HydrophobicContact CG2-CZ 3.65Å; W351-F385 HydrophobicContact CB-CZ 4.33Å; W351-F385 HydrophobicContact CE3-CE1 4.45Å; L355-F385 HydrophobicContact CD1-CD1 3.89Å; L355-F385 HydrophobicContact CD1-CE1 3.9Å; T373-F385 HydrophobicContact CG2-CD1 3.48Å; T373-F385 VanDerWaalsContact CG2-CD1 3.48Å; T373-F385 HydrophobicContact CG2-CE1 3.86Å; T373-F385 HydrophobicContact CG2-CG 4.48Å; V377-F385 HydrophobicContact CG2-CE1 3.99Å; V377-F385 HydrophobicContact CG2-CZ 4.12Å; Y383-F385 PolarHBondContact O-N 3.23Å; Y383-F385 VanDerWaalsContact O-N 3.12Å; F385-A388 PolarHBondContact O-N 3.07Å; F385-Q389 WeakPolarHBondContact O-CB 3.42Å; F385-Q389 PolarHBondContact O-N 3.47Å
386E94.6Very high93.4Very high87 Ų8757.9 Ų57.941%0.40728%0.282SS..Hα-helixtrans-61.1-48.9-174.1-175.2143.1-110.300112.7K336 Y383 Q389 E390K336-E386 IonicContact NZ-OE1 3.95Å; K336-E386 PolarHBondContact NZ-OE1 3.45Å; Y383-E386 WeakPolarHBondContact O-CB 3.08Å; Y383-E386 PolarHBondContact O-N 2.78Å; Y383-E386 VanDerWaalsContact O-N 3.07Å; E386-Q389 PolarHBondContact O-N 3Å; E386-E390 PolarHBondContact O-N 2.98Å
387D92.6Very high93.7Very high62 Ų6259.4 Ų59.433%0.33229%0.286SS..Hα-helixtrans-61-47.7177.5-57.1-88000111.7I372 Q389 E390 H391I372-D387 HydrophobicContact CG2-CB 4.43Å; I372-D387 WeakPolarHBondContact CG2-OD2 3.43Å; D387-Q389 PolarHBondContact O-N 3.43Å; D387-E390 PolarHBondContact O-N 3.3Å; D387-H391 PolarHBondContact O-N 2.91Å
388A95.1Very high93.8Very high0 Ų062.6 Ų62.60%031%0.31CS..Hα-helixtrans-62.9-41176.900000112.2F328 L365 T373 F385 H391 I392F328-A388 HydrophobicContact CE1-CB 4.03Å; F328-A388 HydrophobicContact CZ-CB 3.7Å; L365-A388 HydrophobicContact CD1-CB 4.04Å; L365-A388 HydrophobicContact CD2-CB 3.74Å; T373-A388 HydrophobicContact CG2-CB 4.47Å; F385-A388 PolarHBondContact O-N 3.07Å; A388-H391 PolarHBondContact O-N 3.45Å; A388-I392 WeakPolarHBondContact O-CB 3.39Å; A388-I392 VanDerWaalsContact O-CG1 3.25Å; A388-I392 WeakPolarHBondContact O-CG1 3.29Å; A388-I392 PolarHBondContact O-N 2.65Å
389Q96.1Very high94Very high10 Ų1057.4 Ų57.45%0.04729%0.29CS..Hα-helixtrans-64.6-39.9177.6-176.7179.449.800111.5W329 V332 F385 E386 D387 Y393W329-Q389 HydrophobicContact CG-CG 4.23Å; W329-Q389 PolarHBondContact O-NE2 3.43Å; W329-Q389 VanDerWaalsContact O-NE2 3.15Å; V332-Q389 HydrophobicContact CB-CB 4.44Å; V332-Q389 HydrophobicContact CB-CG 4.32Å; V332-Q389 HydrophobicContact CG1-CB 4.03Å; V332-Q389 VanDerWaalsContact CG1-CD 3.41Å; V332-Q389 HydrophobicContact CG1-CG 4.13Å; F385-Q389 WeakPolarHBondContact O-CB 3.42Å; F385-Q389 PolarHBondContact O-N 3.47Å; E386-Q389 PolarHBondContact O-N 3Å; D387-Q389 PolarHBondContact O-N 3.43Å; Q389-Y393 VanDerWaalsContact O-CB 3.24Å; Q389-Y393 WeakPolarHBondContact O-CB 3.43Å; Q389-Y393 PolarHBondContact O-N 3.02Å
390E94.8Very high94.4Very high100 Ų10050.5 Ų50.547%0.46725%0.254SS..Hα-helixtrans-66.6-44.3177-172.8178.5178.700111.5E386 D387 Y393 K394E386-E390 PolarHBondContact O-N 2.98Å; D387-E390 PolarHBondContact O-N 3.3Å; E390-Y393 PolarHBondContact O-N 3.27Å; E390-K394 HydrophobicContact CG-CD 4.32Å; E390-K394 WeakPolarHBondContact O-CG 3.25Å; E390-K394 PolarHBondContact O-N 3.04Å; E390-K394 WeakPolarHBondContact OE1-CE 3.32Å; E390-K394 IonicContact OE1-NZ 3.23Å; E390-K394 PolarHBondContact OE1-NZ 3.48Å
391H94.5Very high95Very high52 Ų5250.2 Ų50.224%0.24125%0.245CC..Hα-helixtrans-57.6-52.1175.8-175.298.3000111.1L365 D366 D387 A388 Y393 K394 L395L365-H391 HydrophobicContact CD1-CB 3.74Å; D366-H391 VanDerWaalsContact CG-CE1 3.49Å; D366-H391 IonicContact OD1-ND1 3.38Å; D366-H391 IonicContact OD2-CE1 2.67Å; D366-H391 PolarHBondContact OD2-CE1 2.94Å; D366-H391 IonicContact OD2-ND1 2.92Å; D366-H391 PolarHBondContact OD2-ND1 3.28Å; D387-H391 PolarHBondContact O-N 2.91Å; A388-H391 PolarHBondContact O-N 3.45Å; H391-Y393 VanDerWaalsContact C-N 3.33Å; H391-Y393 PolarHBondContact O-N 3.46Å; H391-K394 PolarHBondContact O-N 3.39Å; H391-K394 VanDerWaalsContact O-N 3.17Å; H391-L395 WeakPolarHBondContact O-CB 3.5Å; H391-L395 PolarHBondContact O-N 2.99Å
392I95.9Very high95.2Very high0 Ų050.5 Ų50.50%024%0.244CC..Hα-helixtrans-64.3-36.8-179.9-65.9-61000112.1N325 F328 I363 N364 L365 A388 L395 M396N325-I392 HydrophobicContact CB-CG2 3.84Å; N325-I392 VanDerWaalsContact O-CG2 3.26Å; N325-I392 WeakPolarHBondContact O-CG2 3.26Å; F328-I392 HydrophobicContact CD1-CB 4.18Å; F328-I392 HydrophobicContact CD1-CG1 3.9Å; F328-I392 HydrophobicContact CD1-CG2 4.17Å; F328-I392 HydrophobicContact CE1-CB 4.41Å; F328-I392 HydrophobicContact CE1-CG1 4Å; I363-I392 HydrophobicContact CB-CD1 4.13Å; I363-I392 HydrophobicContact CD1-CD1 3.86Å; I363-I392 HydrophobicContact CD1-CG1 3.71Å; I363-I392 HydrophobicContact CG1-CD1 4.47Å; N364-I392 WeakPolarHBondContact O-CD1 3.4Å; L365-I392 HydrophobicContact CD1-CG1 4.4Å; A388-I392 WeakPolarHBondContact O-CB 3.39Å; A388-I392 VanDerWaalsContact O-CG1 3.25Å; A388-I392 WeakPolarHBondContact O-CG1 3.29Å; A388-I392 PolarHBondContact O-N 2.65Å; I392-L395 HydrophobicContact CD1-CD2 4.34Å; I392-L395 PolarHBondContact O-N 3.04Å; I392-M396 HydrophobicContact CG2-CE 3.83Å; I392-M396 WeakPolarHBondContact O-CG 3.42Å; I392-M396 PolarHBondContact O-N 3.09Å
393Y95.8Very high95.2Very high36 Ų3650.2 Ų50.214%0.14124%0.243CC..Hα-helixtrans-61.6-47173175.4-84.7000111.7F300 D301 L304 W329 Q389 E390 H391 L395 M396 K397F300-Y393 AromaticContact CD1-CD2 3.77Å; F300-Y393 HydrophobicContact CD1-CD2 3.77Å; F300-Y393 HydrophobicContact CD1-CE1 4.21Å; F300-Y393 AromaticContact CD1-CE2 3.43Å; F300-Y393 HydrophobicContact CD1-CE2 3.43Å; F300-Y393 VanDerWaalsContact CD1-CE2 3.43Å; F300-Y393 HydrophobicContact CD1-CG 4.33Å; F300-Y393 AromaticContact CD1-CZ 3.66Å; F300-Y393 AromaticContact CE1-CD2 3.65Å; F300-Y393 HydrophobicContact CE1-CD2 3.65Å; F300-Y393 AromaticContact CE1-CE2 3.81Å; F300-Y393 HydrophobicContact CE1-CE2 3.81Å; F300-Y393 HydrophobicContact CE1-CG 4.17Å; F300-Y393 HydrophobicContact CG-CE2 4.45Å; D301-Y393 PolarHBondContact OD1-OH 3.08Å; D301-Y393 PolarHBondContact OD2-OH 3.49Å; L304-Y393 HydrophobicContact CD1-CD2 3.95Å; L304-Y393 HydrophobicContact CD1-CE2 3.78Å; W329-Y393 HydrophobicContact CZ2-CD2 4.3Å; W329-Y393 AromaticContact NE1-CD2 3.62Å; Q389-Y393 VanDerWaalsContact O-CB 3.24Å; Q389-Y393 WeakPolarHBondContact O-CB 3.43Å; Q389-Y393 PolarHBondContact O-N 3.02Å; E390-Y393 PolarHBondContact O-N 3.27Å; H391-Y393 VanDerWaalsContact C-N 3.33Å; H391-Y393 PolarHBondContact O-N 3.46Å; Y393-L395 VanDerWaalsContact C-N 3.35Å; Y393-M396 PolarHBondContact O-N 2.91Å; Y393-K397 HydrophobicContact CD1-CD 4.49Å; Y393-K397 HydrophobicContact CE1-CD 3.65Å; Y393-K397 WeakPolarHBondContact O-CB 3.34Å; Y393-K397 PolarHBondContact O-N 3.41Å
394K94.9Very high95.3Very high117 Ų11743.1 Ų43.151%0.50922%0.216SC..Hα-helixtrans-62.9-42.3178.8-74.3173.2-175.91640111.3E390 H391 K397 S398E390-K394 HydrophobicContact CG-CD 4.32Å; E390-K394 WeakPolarHBondContact O-CG 3.25Å; E390-K394 PolarHBondContact O-N 3.04Å; E390-K394 WeakPolarHBondContact OE1-CE 3.32Å; E390-K394 IonicContact OE1-NZ 3.23Å; E390-K394 PolarHBondContact OE1-NZ 3.48Å; H391-K394 PolarHBondContact O-N 3.39Å; H391-K394 VanDerWaalsContact O-N 3.17Å; K394-K397 PolarHBondContact O-N 3.31Å; K394-S398 PolarHBondContact O-N 3.47Å; K394-S398 PolarHBondContact O-OG 3.46Å; K394-S398 VanDerWaalsContact O-OG 3.05Å
395L94.3Very high95.3Very high57 Ų5744.5 Ų44.530%0.29822%0.223SC..Hα-helixtrans-58.7-53.9176.1178.564.1000111.7H391 I392 Y393 K397 S398 D399H391-L395 WeakPolarHBondContact O-CB 3.5Å; H391-L395 PolarHBondContact O-N 2.99Å; I392-L395 HydrophobicContact CD1-CD2 4.34Å; I392-L395 PolarHBondContact O-N 3.04Å; Y393-L395 VanDerWaalsContact C-N 3.35Å; L395-K397 VanDerWaalsContact C-N 3.29Å; L395-K397 PolarHBondContact O-N 3.06Å; L395-S398 PolarHBondContact O-N 3.48Å; L395-S398 PolarHBondContact O-OG 3.46Å; L395-D399 PolarHBondContact O-N 3.26Å; L395-D399 VanDerWaalsContact O-N 3.1Å
396M95.8Very high95.2Very high0 Ų053.3 Ų53.30%026%0.256CS..Hα-helixtrans-62.7-37178-71.8-171.8-67.800112F300 F313 L317 N325 L326 W329 I392 Y393 S400 Y401F300-M396 HydrophobicContact CE1-CB 3.86Å; F300-M396 HydrophobicContact CE1-CE 4.3Å; F300-M396 HydrophobicContact CE2-CB 4.39Å; F300-M396 HydrophobicContact CZ-CB 3.5Å; F300-M396 VanDerWaalsContact CZ-CB 3.5Å; F300-M396 HydrophobicContact CZ-CE 3.97Å; F300-M396 HydrophobicContact CZ-CG 4.48Å; F300-M396 HydrophobicContact CZ-SD 4.25Å; F313-M396 HydrophobicContact CE1-SD 4.29Å; L317-M396 HydrophobicContact CD1-SD 4.49Å; N325-M396 HydrophobicContact CB-CG 3.82Å; N325-M396 HydrophobicContact CB-SD 3.73Å; L326-M396 HydrophobicContact CB-SD 3.85Å; L326-M396 HydrophobicContact CD1-SD 4.4Å; L326-M396 PolarHBondContact N-SD 3.23Å; L326-M396 VanDerWaalsContact N-SD 3.44Å; W329-M396 HydrophobicContact CB-CE 3.84Å; W329-M396 HydrophobicContact CG-CE 4.11Å; I392-M396 HydrophobicContact CG2-CE 3.83Å; I392-M396 WeakPolarHBondContact O-CG 3.42Å; I392-M396 PolarHBondContact O-N 3.09Å; Y393-M396 PolarHBondContact O-N 2.91Å; M396-S400 PolarHBondContact O-N 3.21Å; M396-Y401 VanDerWaalsContact O-CB 3.22Å; M396-Y401 WeakPolarHBondContact O-CB 3.47Å; M396-Y401 PolarHBondContact O-N 2.92Å
397K95.9Very high95.2Very high93 Ų9350.1 Ų50.140%0.40424%0.243SC..Hα-helixtrans-65.4-42.6-179.9-176.7169.5-178.5171.20112.6F300 Y393 K394 L395F300-K397 HydrophobicContact CB-CB 4.33Å; F300-K397 HydrophobicContact CB-CD 4.2Å; F300-K397 HydrophobicContact CB-CG 3.92Å; F300-K397 HydrophobicContact CD1-CB 3.62Å; F300-K397 HydrophobicContact CD1-CD 4.38Å; F300-K397 HydrophobicContact CD1-CG 4.12Å; F300-K397 HydrophobicContact CE1-CB 4.18Å; F300-K397 HydrophobicContact CG-CB 4.14Å; F300-K397 HydrophobicContact CG-CG 4.29Å; Y393-K397 HydrophobicContact CD1-CD 4.49Å; Y393-K397 HydrophobicContact CE1-CD 3.65Å; Y393-K397 WeakPolarHBondContact O-CB 3.34Å; Y393-K397 PolarHBondContact O-N 3.41Å; K394-K397 PolarHBondContact O-N 3.31Å; L395-K397 VanDerWaalsContact C-N 3.29Å; L395-K397 PolarHBondContact O-N 3.06Å
398S93.9Very high95.1Very high90 Ų9053.1 Ų53.163%0.62926%0.259SS*.Hα-helixtrans-80.9-29.7-17660.20000113K394 L395K394-S398 PolarHBondContact O-N 3.47Å; K394-S398 PolarHBondContact O-OG 3.46Å; K394-S398 VanDerWaalsContact O-OG 3.05Å; L395-S398 PolarHBondContact O-N 3.48Å; L395-S398 PolarHBondContact O-OG 3.46Å
399D94.6Very high94.8Very high68 Ų6855.4 Ų55.436%0.36428%0.278SS..THydrogen-bonded Turntrans-113.8-75.3-175.6-179.244.7000112.9L395 Y401 A402 R403L395-D399 PolarHBondContact O-N 3.26Å; L395-D399 VanDerWaalsContact O-N 3.1Å; D399-Y401 PolarHBondContact O-N 3.4Å; D399-A402 PolarHBondContact O-N 3.23Å; D399-A402 VanDerWaalsContact O-N 3.11Å; D399-R403 PolarHBondContact O-N 3.23Å; D399-R403 IonicContact OD1-CZ 2.79Å; D399-R403 IonicContact OD1-NE 2.94Å; D399-R403 PolarHBondContact OD1-NE 3.13Å; D399-R403 IonicContact OD1-NH2 3.47Å; D399-R403 IonicContact OD2-CZ 3.84Å; D399-R403 IonicContact OD2-NE 3.63Å; D399-R403 PolarHBondContact OD2-NE 2.81Å; D399-R403 IonicContact OD2-NH2 3.49Å; D399-R403 PolarHBondContact OD2-NH2 3.45Å
400S95.6Very high94.6Very high4 Ų455.6 Ų55.63%0.02828%0.278CS..Hα-helixtrans-62.6-39.7-168.4-350000113.5F316 L317 M396 R403 F404F316-S400 WeakPolarHBondContact CE1-O 3.07Å; L317-S400 VanDerWaalsContact CD2-CB 3.45Å; M396-S400 PolarHBondContact O-N 3.21Å; S400-R403 PolarHBondContact O-N 3.05Å; S400-F404 WeakPolarHBondContact O-CB 3.07Å; S400-F404 PolarHBondContact O-N 3.4Å
401Y96.7Very high94.5Very high20 Ų2054 Ų548%0.07827%0.271CS..Hα-helixtrans-66.6-40.9176.2173.2-112.5000111.9W296 G297 S299 F300 I303 M396 D399 R403 F404 L405W296-Y401 PolarHBondContact O-OH 2.82Å; G297-Y401 PolarHBondContact O-OH 2.94Å; S299-Y401 WeakPolarHBondContact CA-OH 3.33Å; S299-Y401 PolarHBondContact N-OH 3.17Å; S299-Y401 PolarHBondContact O-OH 3.4Å; F300-Y401 HydrophobicContact CB-CD1 3.92Å; F300-Y401 HydrophobicContact CB-CD2 4.49Å; F300-Y401 HydrophobicContact CB-CE1 4.07Å; F300-Y401 HydrophobicContact CB-CG 4.15Å; F300-Y401 HydrophobicContact CD2-CD1 4.19Å; F300-Y401 AromaticContact CD2-CD2 3.58Å; F300-Y401 HydrophobicContact CD2-CD2 3.58Å; F300-Y401 HydrophobicContact CD2-CE2 4.26Å; F300-Y401 AromaticContact CD2-CG 3.53Å; F300-Y401 HydrophobicContact CD2-CG 3.53Å; F300-Y401 HydrophobicContact CE2-CD2 4.3Å; F300-Y401 HydrophobicContact CE2-CG 4.27Å; F300-Y401 HydrophobicContact CG-CD1 4.36Å; F300-Y401 HydrophobicContact CG-CD2 4.46Å; F300-Y401 HydrophobicContact CG-CG 4.14Å; I303-Y401 HydrophobicContact CB-CE2 4.37Å; I303-Y401 HydrophobicContact CG2-CD2 3.86Å; I303-Y401 HydrophobicContact CG2-CE2 3.63Å; M396-Y401 VanDerWaalsContact O-CB 3.22Å; M396-Y401 WeakPolarHBondContact O-CB 3.47Å; M396-Y401 PolarHBondContact O-N 2.92Å; D399-Y401 PolarHBondContact O-N 3.4Å; Y401-R403 VanDerWaalsContact C-N 3.3Å; Y401-R403 PolarHBondContact O-N 2.94Å; Y401-F404 WeakPolarHBondContact O-CB 3.44Å; Y401-F404 PolarHBondContact O-N 3.44Å; Y401-L405 HydrophobicContact CD2-CG 4.43Å; Y401-L405 HydrophobicContact CE1-CD1 3.85Å; Y401-L405 HydrophobicContact CE1-CG 4.5Å; Y401-L405 HydrophobicContact CE2-CD1 4.12Å; Y401-L405 HydrophobicContact CE2-CD2 3.99Å; Y401-L405 HydrophobicContact CE2-CG 4.01Å; Y401-L405 WeakPolarHBondContact O-CG 3.42Å; Y401-L405 PolarHBondContact O-N 3.03Å
402A95.3Very high94.3Very high34 Ų3456.5 Ų56.528%0.28129%0.286SS..Hα-helixtrans-66.3-32.5176.100000112.3D399 R406D399-A402 PolarHBondContact O-N 3.23Å; D399-A402 VanDerWaalsContact O-N 3.11Å; A402-R406 PolarHBondContact O-NE 3.1Å
403R96.5Very high94Very high69 Ų6958.4 Ų58.426%0.2630%0.296SS..Hα-helixtrans-73.2-42.3171.7-69.4-171.2-74.8116.20.7111.7F316 E320 D399 S400 Y401 L405 R406 S407F316-R403 HydrophobicContact CE1-CB 4.4Å; F316-R403 HydrophobicContact CZ-CB 3.96Å; E320-R403 IonicContact OE1-NH1 3.1Å; E320-R403 PolarHBondContact OE1-NH1 3.02Å; E320-R403 IonicContact OE2-CZ 3.85Å; E320-R403 IonicContact OE2-NH1 2.65Å; E320-R403 PolarHBondContact OE2-NH1 3.17Å; E320-R403 IonicContact OE2-NH2 2.97Å; D399-R403 PolarHBondContact O-N 3.23Å; D399-R403 IonicContact OD1-CZ 2.79Å; D399-R403 IonicContact OD1-NE 2.94Å; D399-R403 PolarHBondContact OD1-NE 3.13Å; D399-R403 IonicContact OD1-NH2 3.47Å; D399-R403 IonicContact OD2-CZ 3.84Å; D399-R403 IonicContact OD2-NE 3.63Å; D399-R403 PolarHBondContact OD2-NE 2.81Å; D399-R403 IonicContact OD2-NH2 3.49Å; D399-R403 PolarHBondContact OD2-NH2 3.45Å; S400-R403 PolarHBondContact O-N 3.05Å; Y401-R403 VanDerWaalsContact C-N 3.3Å; Y401-R403 PolarHBondContact O-N 2.94Å; R403-L405 PolarHBondContact O-N 3.12Å; R403-R406 CarbonylContact O-C 3.39Å; R403-R406 PolarHBondContact O-N 3.45Å; R403-S407 PolarHBondContact O-N 2.97Å
404F96.6Very high93.5Very high1 Ų158.4 Ų58.40%0.00430%0.298CS..Hα-helixtrans-54.8-48175.3172.8-104.5000112.3I303 Q312 F313 F316 S400 Y401 R406 S407 Y410I303-F404 HydrophobicContact CD1-CD1 3.71Å; I303-F404 HydrophobicContact CD1-CE1 3.22Å; I303-F404 HydrophobicContact CD1-CZ 3.87Å; Q312-F404 HydrophobicContact CB-CZ 4.37Å; F313-F404 HydrophobicContact CD2-CB 3.78Å; F313-F404 HydrophobicContact CD2-CD1 4.08Å; F313-F404 AromaticContact CD2-CD2 3.94Å; F313-F404 HydrophobicContact CD2-CD2 3.94Å; F313-F404 AromaticContact CD2-CG 3.65Å; F313-F404 HydrophobicContact CD2-CG 3.65Å; F313-F404 HydrophobicContact CE2-CB 3.77Å; F313-F404 HydrophobicContact CE2-CG 4.18Å; F316-F404 HydrophobicContact CB-CD2 3.64Å; F316-F404 HydrophobicContact CB-CE2 4.11Å; F316-F404 HydrophobicContact CD1-CB 3.72Å; F316-F404 AromaticContact CD1-CD2 3.87Å; F316-F404 HydrophobicContact CD1-CD2 3.87Å; F316-F404 HydrophobicContact CD1-CG 4.27Å; F316-F404 HydrophobicContact CD2-CD2 4.24Å; F316-F404 HydrophobicContact CE1-CB 3.76Å; F316-F404 HydrophobicContact CG-CB 4.27Å; F316-F404 AromaticContact CG-CD2 3.64Å; F316-F404 HydrophobicContact CG-CD2 3.64Å; F316-F404 HydrophobicContact CG-CG 4.45Å; F316-F404 HydrophobicContact CZ-CB 4.34Å; S400-F404 WeakPolarHBondContact O-CB 3.07Å; S400-F404 PolarHBondContact O-N 3.4Å; Y401-F404 WeakPolarHBondContact O-CB 3.44Å; Y401-F404 PolarHBondContact O-N 3.44Å; F404-R406 PolarHBondContact O-N 2.71Å; F404-S407 WeakPolarHBondContact O-CB 3.13Å; F404-S407 PolarHBondContact O-N 2.61Å; F404-S407 PolarHBondContact O-OG 2.82Å; F404-Y410 HydrophobicContact CD1-CD2 4.41Å; F404-Y410 AromaticContact CE1-CD2 3.57Å; F404-Y410 HydrophobicContact CE1-CD2 3.57Å; F404-Y410 HydrophobicContact CE1-CE2 4.37Å; F404-Y410 HydrophobicContact CE1-CG 4.07Å; F404-Y410 AromaticContact CZ-CD2 3.92Å; F404-Y410 HydrophobicContact CZ-CD2 3.92Å; F404-Y410 HydrophobicContact CZ-CG 4.39Å; F404-Y410 VanDerWaalsContact O-CB 3.24Å; F404-Y410 WeakPolarHBondContact O-CB 3.25Å
405L94.6Very high93Very high35 Ų3558.7 Ų58.718%0.18331%0.305CS..Hα-helixtrans-63.8-24.4179.4-66.3-176.4000113.8Y401 R403 Y410 Q411Y401-L405 HydrophobicContact CD2-CG 4.43Å; Y401-L405 HydrophobicContact CE1-CD1 3.85Å; Y401-L405 HydrophobicContact CE1-CG 4.5Å; Y401-L405 HydrophobicContact CE2-CD1 4.12Å; Y401-L405 HydrophobicContact CE2-CD2 3.99Å; Y401-L405 HydrophobicContact CE2-CG 4.01Å; Y401-L405 WeakPolarHBondContact O-CG 3.42Å; Y401-L405 PolarHBondContact O-N 3.03Å; R403-L405 PolarHBondContact O-N 3.12Å; L405-Y410 HydrophobicContact CB-CD1 4.45Å; L405-Y410 HydrophobicContact CD2-CD1 4.05Å; L405-Y410 HydrophobicContact CD2-CD2 4.2Å; L405-Y410 HydrophobicContact CD2-CE1 3.78Å; L405-Y410 HydrophobicContact CD2-CE2 3.95Å; L405-Y410 HydrophobicContact CD2-CG 4.24Å; L405-Y410 VanDerWaalsContact O-CD1 3.3Å; L405-Y410 WeakPolarHBondContact O-CD1 3.27Å; L405-Q411 PolarHBondContact O-NE2 3.43Å
406R94.6Very high92Very high184 Ų18458.8 Ų58.869%0.69431%0.314SS*.Hα-helixtrans-91.4-12175.8-68.9-178.2-71.9171.90.4113.1A402 R403 F404A402-R406 PolarHBondContact O-NE 3.1Å; R403-R406 CarbonylContact O-C 3.39Å; R403-R406 PolarHBondContact O-N 3.45Å; F404-R406 PolarHBondContact O-N 2.71Å
407S94.4Very high90.1Very high20 Ų2067.2 Ų67.214%0.1435%0.35CS..SBendtrans-71151.4-177.576.10000112.3R403 F404 A409 Y410 Q411R403-S407 PolarHBondContact O-N 2.97Å; F404-S407 WeakPolarHBondContact O-CB 3.13Å; F404-S407 PolarHBondContact O-N 2.61Å; F404-S407 PolarHBondContact O-OG 2.82Å; S407-A409 PolarHBondContact O-N 2.74Å; S407-Y410 PolarHBondContact O-N 2.88Å; S407-Y410 PolarHBondContact OG-N 3.1Å; S407-Q411 WeakPolarHBondContact O-CG 3.23Å; S407-Q411 PolarHBondContact O-N 3.31Å; S407-Q411 VanDerWaalsContact O-N 3.1Å
408N91.8Very high88.2Confident125 Ų12572.7 Ų72.767%0.66837%0.374SS*.Hα-helixtrans-58-33.2172.6-66.4-22.2000111.5Y410 Q411 D412N408-Y410 VanDerWaalsContact C-N 3.32Å; N408-Y410 PolarHBondContact O-N 3.4Å; N408-Q411 PolarHBondContact O-N 2.72Å; N408-D412 VanDerWaalsContact O-CB 3.26Å; N408-D412 WeakPolarHBondContact O-CB 3.43Å; N408-D412 PolarHBondContact O-N 3.41Å
409A88.4Confident85.7Confident48 Ų4878.2 Ų78.240%0.39739%0.387SS..Hα-helixtrans-57.5-41.6178.300000113S407 L413S407-A409 PolarHBondContact O-N 2.74Å; A409-L413 WeakPolarHBondContact O-CD1 3.46Å; A409-L413 WeakPolarHBondContact O-CG 3.29Å
410Y92.2Very high83.1Confident14 Ų1478.3 Ų78.36%0.05540%0.404CS..Hα-helixtrans-79.5-41.5175.8177.8-103.3000112.3V293 W296 G297 F404 L405 S407 N408 D412 L413 L414V293-Y410 HydrophobicContact CG1-CD2 4.14Å; V293-Y410 HydrophobicContact CG1-CE2 3.68Å; V293-Y410 PolarHBondContact O-OH 3.07Å; W296-Y410 HydrophobicContact CB-CE2 4.28Å; W296-Y410 HydrophobicContact CE3-CD2 4.42Å; W296-Y410 HydrophobicContact CE3-CE2 4.25Å; G297-Y410 PolarHBondContact N-OH 2.8Å; F404-Y410 HydrophobicContact CD1-CD2 4.41Å; F404-Y410 AromaticContact CE1-CD2 3.57Å; F404-Y410 HydrophobicContact CE1-CD2 3.57Å; F404-Y410 HydrophobicContact CE1-CE2 4.37Å; F404-Y410 HydrophobicContact CE1-CG 4.07Å; F404-Y410 AromaticContact CZ-CD2 3.92Å; F404-Y410 HydrophobicContact CZ-CD2 3.92Å; F404-Y410 HydrophobicContact CZ-CG 4.39Å; F404-Y410 VanDerWaalsContact O-CB 3.24Å; F404-Y410 WeakPolarHBondContact O-CB 3.25Å; L405-Y410 HydrophobicContact CB-CD1 4.45Å; L405-Y410 HydrophobicContact CD2-CD1 4.05Å; L405-Y410 HydrophobicContact CD2-CD2 4.2Å; L405-Y410 HydrophobicContact CD2-CE1 3.78Å; L405-Y410 HydrophobicContact CD2-CE2 3.95Å; L405-Y410 HydrophobicContact CD2-CG 4.24Å; L405-Y410 VanDerWaalsContact O-CD1 3.3Å; L405-Y410 WeakPolarHBondContact O-CD1 3.27Å; S407-Y410 PolarHBondContact O-N 2.88Å; S407-Y410 PolarHBondContact OG-N 3.1Å; N408-Y410 VanDerWaalsContact C-N 3.32Å; N408-Y410 PolarHBondContact O-N 3.4Å; Y410-D412 PolarHBondContact O-N 3.18Å; Y410-L413 PolarHBondContact O-N 3.32Å; Y410-L414 HydrophobicContact CE1-CD2 4.22Å; Y410-L414 WeakPolarHBondContact O-CB 3.36Å; Y410-L414 PolarHBondContact O-N 3.46Å
411Q93.1Very high80.2Confident68 Ų6887.7 Ų87.732%0.31844%0.444SS..Hα-helixtrans-64.3-39.2-178.4-65.2-60.6-34.600112.2L405 S407 N408 L413 L414 L415L405-Q411 PolarHBondContact O-NE2 3.43Å; S407-Q411 WeakPolarHBondContact O-CG 3.23Å; S407-Q411 PolarHBondContact O-N 3.31Å; S407-Q411 VanDerWaalsContact O-N 3.1Å; N408-Q411 PolarHBondContact O-N 2.72Å; Q411-L413 PolarHBondContact O-N 2.95Å; Q411-L414 WeakPolarHBondContact O-CB 3.44Å; Q411-L414 PolarHBondContact O-N 3.36Å; Q411-L415 WeakPolarHBondContact O-CB 3.44Å; Q411-L415 VanDerWaalsContact O-CG 3.25Å; Q411-L415 WeakPolarHBondContact O-CG 3.37Å; Q411-L415 PolarHBondContact O-N 3.11Å
412D89.9Confident77.1Confident103 Ų10391.9 Ų91.955%0.55148%0.476SS*.Hα-helixtrans-65.3-40.9177.4-68.8-21.9000111.5N408 Y410 L414 L415 A416N408-D412 VanDerWaalsContact O-CB 3.26Å; N408-D412 WeakPolarHBondContact O-CB 3.43Å; N408-D412 PolarHBondContact O-N 3.41Å; Y410-D412 PolarHBondContact O-N 3.18Å; D412-L414 VanDerWaalsContact C-N 3.31Å; D412-L414 PolarHBondContact O-N 3.18Å; D412-L415 PolarHBondContact O-N 3.4Å; D412-A416 WeakPolarHBondContact O-CB 3.43Å; D412-A416 PolarHBondContact O-N 3.39Å
413L88.4Confident74.4Confident41 Ų4198.2 Ų98.222%0.21550%0.504CS..Hα-helixtrans-65.2-35.1174.2-71.6174000112.3V293 W296 Q312 A409 Y410 Q411V293-L413 HydrophobicContact CG1-CB 4Å; V293-L413 HydrophobicContact CG2-CB 4.33Å; W296-L413 HydrophobicContact CZ3-CD1 4.17Å; Q312-L413 HydrophobicContact CB-CD1 4.38Å; Q312-L413 HydrophobicContact CG-CD1 3.88Å; A409-L413 WeakPolarHBondContact O-CD1 3.46Å; A409-L413 WeakPolarHBondContact O-CG 3.29Å; Y410-L413 PolarHBondContact O-N 3.32Å; Q411-L413 PolarHBondContact O-N 2.95Å
414L86.5Confident71.4Confident36 Ų3698.9 Ų98.919%0.18852%0.524CS..Hα-helixtrans-70.3-37.5177.7-174.164.2000111.9V293 K294 Y410 Q411 D412V293-L414 HydrophobicContact CG1-CB 4.35Å; V293-L414 HydrophobicContact CG1-CD1 4.39Å; K294-L414 HydrophobicContact CB-CD1 4.35Å; K294-L414 HydrophobicContact CD-CD1 4.31Å; K294-L414 HydrophobicContact CG-CD1 3.31Å; Y410-L414 HydrophobicContact CE1-CD2 4.22Å; Y410-L414 WeakPolarHBondContact O-CB 3.36Å; Y410-L414 PolarHBondContact O-N 3.46Å; Q411-L414 WeakPolarHBondContact O-CB 3.44Å; Q411-L414 PolarHBondContact O-N 3.36Å; D412-L414 VanDerWaalsContact C-N 3.31Å; D412-L414 PolarHBondContact O-N 3.18Å
415L83.6Confident68.4Low123 Ų123102.2 Ų102.264%0.64456%0.559SS**Hα-helixtrans-88.6-15.2-176.8-67.5174.5000113.9Q411 D412 K417Q411-L415 WeakPolarHBondContact O-CB 3.44Å; Q411-L415 VanDerWaalsContact O-CG 3.25Å; Q411-L415 WeakPolarHBondContact O-CG 3.37Å; Q411-L415 PolarHBondContact O-N 3.11Å; D412-L415 PolarHBondContact O-N 3.4Å; L415-K417 VanDerWaalsContact C-N 3.31Å; L415-K417 PolarHBondContact O-N 2.88Å
416A73.8Confident65.6Low59 Ų59110.6 Ų110.649%0.48859%0.594SS.*  trans-57.289.217700000111Q290 D412Q290-A416 PolarHBondContact NE2-O 3.17Å; D412-A416 WeakPolarHBondContact O-CB 3.43Å; D412-A416 PolarHBondContact O-N 3.39Å
417K56.9Low62.7Low176 Ų176112.8 Ų112.877%0.76560%0.602SS**  trans-70.6133.6167.2-77.8-176.1177.4177.20106.8L415 K419L415-K417 VanDerWaalsContact C-N 3.31Å; L415-K417 PolarHBondContact O-N 2.88Å; K417-K419 PolarHBondContact O-N 2.95Å
418K55.3Low59.9Low209 Ų209120.1 Ų120.191%0.90964%0.639SS**  trans-44.9108.9165.2-94.1-175.2172.9179.50107.5G420K418-G420 PolarHBondContact O-N 3.41Å
419K41.9Very low57.2Low206 Ų206119.9 Ų119.990%0.89664%0.642SS**  trans-61.994.4161.8-90.6-175.6175.7176.50105.3K417 K421K417-K419 PolarHBondContact O-N 2.95Å; K419-K421 PolarHBondContact O-N 3.5Å; K419-K421 VanDerWaalsContact O-N 3.1Å
420G39Very low54.6Low69 Ų69121.1 Ų121.171%0.71166%0.66SS**  trans-58.7115170.300000107.4K418 S422K418-G420 PolarHBondContact O-N 3.41Å; G420-S422 PolarHBondContact O-N 3.02Å
421K35.6Very low51.8Low202 Ų202128.2 Ų128.288%0.87870%0.698SS**  trans-60.995.1160.1-77.3-178.1175.2178.70106.6K419 L423K419-K421 PolarHBondContact O-N 3.5Å; K419-K421 VanDerWaalsContact O-N 3.1Å; K421-L423 VanDerWaalsContact C-N 3.34Å; K421-L423 PolarHBondContact O-N 3.44Å
422S30.8Very low48.9Very low108 Ų108133.4 Ų133.476%0.75572%0.724SS**  trans-68.896.3163.5-179.10000107G420 A424G420-S422 PolarHBondContact O-N 3.02Å; S422-A424 PolarHBondContact O-N 2.99Å
423L37.9Very low46.2Very low167 Ų167137.1 Ų137.187%0.87474%0.738SS**  trans-73.481.3157-88.4152.2000106.4K421 G425K421-L423 VanDerWaalsContact C-N 3.34Å; K421-L423 PolarHBondContact O-N 3.44Å; L423-G425 PolarHBondContact O-N 3.32Å; L423-G425 VanDerWaalsContact O-N 3.13Å
424A34.3Very low43.6Very low82 Ų82140.6 Ų140.668%0.67877%0.766SS**  trans-62.5112165.300000107.6S422 K426S422-A424 PolarHBondContact O-N 2.99Å; A424-K426 PolarHBondContact O-N 3.21Å
425G33.7Very low41.1Very low71 Ų71148.3 Ų148.373%0.73282%0.823SS**  trans-58.2118.817600000110.6L423 R427L423-G425 PolarHBondContact O-N 3.32Å; L423-G425 VanDerWaalsContact O-N 3.13Å; G425-R427 VanDerWaalsContact C-N 3.3Å; G425-R427 PolarHBondContact O-N 3Å
426K36.1Very low39Very low211 Ų211149.6 Ų149.692%0.91783%0.832SS**  trans-65.595.3157.4-77.7-179.9174.4179.70107.2A424 L428A424-K426 PolarHBondContact O-N 3.21Å; K426-L428 PolarHBondContact O-N 3.15Å
427R33.7Very low37.1Very low230 Ų230154.4 Ų154.487%0.86885%0.85SS**  trans-66.4114.9163.2-91.2-179.1172.3173.4-2.8108G425 T429G425-R427 VanDerWaalsContact C-N 3.3Å; G425-R427 PolarHBondContact O-N 3Å; R427-T429 PolarHBondContact O-N 3.37Å
428L35.9Very low36Very low174 Ų174153.2 Ų153.291%0.91186%0.855SS**  trans-77.7108.2159.3-137.592.6000106.7K426K426-L428 PolarHBondContact O-N 3.15Å
429T34.5Very low34.9Very low121 Ų121149.9 Ų149.974%0.74285%0.852SS**  trans-129.888.2163.150.10000107.1R427R427-T429 PolarHBondContact O-N 3.37Å
430G32.8Very low34.5Very low74 Ų74146.4 Ų146.476%0.76385%0.849SS**  trans-92.5120.4165.200000108.5
431L34.2Very low34.2Very low163 Ų163151.5 Ų151.585%0.85386%0.858SS**  trans-54.4138.4-176.1-76.582000113.4
432M32.8Very low34.1Very low177 Ų177147.9 Ų147.987%0.87286%0.857SS**  trans-105.4145.6143.8-81.8-168.183.300108.9
433Q33.2Very low34.3Very low181 Ų181151 Ų15185%0.84686%0.864SS**  trans94.4100.6170.2-57.4-172.7-8.200117.3
434S33Very low34Very low113 Ų113149.7 Ų149.779%0.7986%0.864SS**  -159.4140.4106.957.90000111.7
435S34Very low34Very low199 Ų199155.8 Ų155.8100%1.39288%0.881SS**  trans77.80170-45.50000118.9

Retrieved 435 of 435 residues in 367.9 ms (Link to these results)

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