A0A087WQG6_MOUSE Loading...

Regulator of G-protein signaling 6

AlphaFold DB , UniProt , Accession A0A087WQG6, Species MOUSE (Mus musculus, Mouse), Gene Rgs6, Length 465 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
1M38.6Very low30.3Very low250 Ų250148.1 Ų148.1100%1.23287%0.874SS**  0106.30-79.9-157.6-89.500108.6
2A28Very low30.4Very low105 Ų105141.3 Ų141.387%0.86886%0.859SS**  trans-166.8120.7158.300000106.1
3Q27.1Very low30.6Very low201 Ų201142.7 Ų142.794%0.93986%0.855SS**  trans-66.4130.5-179.8-74167.4-30.400109.8S5Q3-S5 PolarHBondContact O-N 3.09Å
4G28.2Very low31Very low83 Ų83137.9 Ų137.986%0.85684%0.839SS**  trans-80.6109.7170.100000110.1
5S27.8Very low31.6Very low109 Ų109134.2 Ų134.276%0.76281%0.812SS**  trans-80.3114.1159.750.30000108Q3 D7Q3-S5 PolarHBondContact O-N 3.09Å; S5-D7 PolarHBondContact O-N 3.01Å
6G35.3Very low32.4Very low77 Ų77131.9 Ų131.979%0.79480%0.801SS**  trans-69.8114.3171.300000110.1
7D26.5Very low33.2Very low151 Ų151130.8 Ų130.881%0.80779%0.785SS**  trans-104.8105158.4-90.9-25.9000108.1S5 R9S5-D7 PolarHBondContact O-N 3.01Å; D7-R9 PolarHBondContact O-N 3.27Å; D7-R9 VanDerWaalsContact O-N 3.09Å
8Q31Very low34.2Very low192 Ų192132.2 Ų132.290%0.89778%0.782SS**  trans-56.4108.4158.7-73.9172.6-2.300107.2A10Q8-A10 VanDerWaalsContact C-N 3.31Å; Q8-A10 PolarHBondContact O-N 3.43Å
9R29.3Very low35.6Very low237 Ų237127.7 Ų127.789%0.89476%0.758SS**  trans-65.397.8165-81.7-176.8175.7179.7-1.9107.7D7 V11D7-R9 PolarHBondContact O-N 3.27Å; D7-R9 VanDerWaalsContact O-N 3.09Å; R9-V11 PolarHBondContact O-N 3.38Å
10A27.6Very low37.3Very low94 Ų94122.3 Ų122.378%0.77773%0.727SS**  trans-54.2110.7155.100000106.9Q8 G12Q8-A10 VanDerWaalsContact C-N 3.31Å; Q8-A10 PolarHBondContact O-N 3.43Å; A10-G12 PolarHBondContact O-N 3.32Å
11V34.3Very low39Very low130 Ų130118.3 Ų118.379%0.78870%0.704SS**  trans-57.1111.4166.1176.20000105.3R9 I13R9-V11 PolarHBondContact O-N 3.38Å; V11-I13 PolarHBondContact O-N 3.06Å
12G30.8Very low41.1Very low67 Ų67107.6 Ų107.669%0.69165%0.652SS**  trans-54.9114.3172.700000107.5A10 A14A10-G12 PolarHBondContact O-N 3.32Å; G12-A14 PolarHBondContact O-N 3.49Å
13I33.1Very low44Very low159 Ų159104.5 Ų104.582%0.81562%0.62SS**  trans-6694.3170-60.3172.1000104.6V11 D15V11-I13 PolarHBondContact O-N 3.06Å; I13-D15 PolarHBondContact O-N 3.46Å
14A36.5Very low47Very low75 Ų75100.3 Ų100.362%0.6260%0.603SS**  trans-55.2136.8166.800000107.6G12 P16G12-A14 PolarHBondContact O-N 3.49Å; A14-P16 WeakPolarHBondContact O-CD 3.38Å
15D39.9Very low50.1Low83 Ų8399.9 Ų99.944%0.44458%0.583SS.*  trans-52.3122.4179-161-23.9000108.6I13 E17 E18I13-D15 PolarHBondContact O-N 3.46Å; D15-E17 PolarHBondContact O-N 3.24Å; D15-E18 PolarHBondContact O-N 3.43Å
16P44.9Very low53.2Low98 Ų9895.7 Ų95.764%0.63655%0.551SS**G310 helixtrans-52.6-24-179-27.333.9000113.2A14 E18 S19A14-P16 WeakPolarHBondContact O-CD 3.38Å; P16-E18 VanDerWaalsContact C-N 3.34Å; P16-E18 PolarHBondContact O-N 2.99Å; P16-S19 PolarHBondContact O-OG 3.46Å
17E45.4Very low56.1Low113 Ų11394.6 Ų94.653%0.52853%0.531SS..G310 helixtrans-73.1-15.4179.8-60.4-159.3168.300114.8D15 K230D15-E17 PolarHBondContact O-N 3.24Å; E17-K230 VanDerWaalsContact OE1-CE 3.26Å; E17-K230 WeakPolarHBondContact OE1-CE 3.47Å; E17-K230 IonicContact OE1-NZ 2.66Å; E17-K230 PolarHBondContact OE1-NZ 3.16Å; E17-K230 IonicContact OE2-NZ 2.89Å; E17-K230 PolarHBondContact OE2-NZ 3.37Å
18E51Low59.4Low155 Ų15593.8 Ų93.872%0.72452%0.52SS*.G310 helixtrans-107-4.7180-68.7-170.1160.200114.2D15 P16D15-E18 PolarHBondContact O-N 3.43Å; P16-E18 VanDerWaalsContact C-N 3.34Å; P16-E18 PolarHBondContact O-N 2.99Å
19S60.6Low62.6Low47 Ų4785.6 Ų85.633%0.32948%0.482SS..SBendtrans-77.8144.9-175.669.30000113.2P16P16-S19 PolarHBondContact O-OG 3.46Å
20S69.1Low65.8Low19 Ų1975.6 Ų75.613%0.13345%0.446CS..  trans-49.1138.6169.9173.60000110.5N22 M23S20-N22 PolarHBondContact O-N 3.39Å; S20-N22 PolarHBondContact OG-N 3.42Å; S20-M23 WeakPolarHBondContact O-CB 3.16Å; S20-M23 PolarHBondContact O-N 2.92Å
21P73.9Confident69.2Low39 Ų3975.9 Ų75.925%0.25343%0.434SS..THydrogen-bonded Turntrans-59-14.1175-25.935.9000113.7M215 K219 L223P21-M215 HydrophobicContact CG-SD 4.29Å; P21-K219 HydrophobicContact CB-CB 4.08Å; P21-K219 HydrophobicContact CB-CD 3.9Å; P21-K219 HydrophobicContact CB-CG 3.83Å; P21-K219 HydrophobicContact CG-CB 3.98Å; P21-K219 HydrophobicContact CG-CG 4.27Å; P21-L223 VanDerWaalsContact CD-CG 3.47Å; P21-L223 HydrophobicContact CG-CD1 3.89Å; P21-L223 HydrophobicContact CG-CG 3.85Å
22N83.2Confident72.2Confident25 Ų2571.1 Ų71.113%0.13440%0.404CS..THydrogen-bonded Turntrans-98-4.6176.1-61.9-17.4000112.9S20 I24 V25 Y26 K219S20-N22 PolarHBondContact O-N 3.39Å; S20-N22 PolarHBondContact OG-N 3.42Å; N22-I24 VanDerWaalsContact C-N 3.3Å; N22-I24 PolarHBondContact O-N 2.89Å; N22-V25 WeakPolarHBondContact O-CA 3.35Å; N22-V25 WeakPolarHBondContact O-CB 3.46Å; N22-V25 PolarHBondContact O-N 2.75Å; N22-Y26 HydrophobicContact CB-CE1 4.27Å; N22-Y26 HydrophobicContact CB-CE2 3.86Å; N22-Y26 PolarHBondContact O-N 2.86Å; N22-Y26 VanDerWaalsContact O-N 3.16Å; N22-K219 PolarHBondContact OD1-NZ 3.03Å
23M87.5Confident75.4Confident40 Ų4067.9 Ų67.920%0.19737%0.371CS..Hα-helixtrans-57-41.8-174.2-172.160.971.500112.6S20 V25 Y26 C27 S121S20-M23 WeakPolarHBondContact O-CB 3.16Å; S20-M23 PolarHBondContact O-N 2.92Å; M23-V25 PolarHBondContact O-N 3.29Å; M23-Y26 PolarHBondContact O-N 3.27Å; M23-Y26 VanDerWaalsContact O-N 3.1Å; M23-Y26 HydrophobicContact SD-CD2 4.36Å; M23-C27 PolarHBondContact O-N 3.25Å; M23-C27 PolarHBondContact O-SG 3.42Å; M23-S121 WeakPolarHBondContact CE-O 3.17Å
24I90.3Very high78.4Confident113 Ų11364.2 Ų64.258%0.57936%0.356SS*.Hα-helixtrans-59.4-32.2177.3-168.6169.1000112.7N22 K28N22-I24 VanDerWaalsContact C-N 3.3Å; N22-I24 PolarHBondContact O-N 2.89Å; I24-K28 VanDerWaalsContact O-CG 3.31Å; I24-K28 WeakPolarHBondContact O-CG 3.3Å; I24-K28 PolarHBondContact O-N 3.11Å
25V93.4Very high81.2Confident74 Ų7466.6 Ų66.645%0.44835%0.352SS..Hα-helixtrans-73.3-44.7176.81800000109.6N22 M23 K28 I29N22-V25 WeakPolarHBondContact O-CA 3.35Å; N22-V25 WeakPolarHBondContact O-CB 3.46Å; N22-V25 PolarHBondContact O-N 2.75Å; M23-V25 PolarHBondContact O-N 3.29Å; V25-K28 PolarHBondContact O-N 3.16Å; V25-I29 HydrophobicContact CG1-CD1 4.02Å; V25-I29 WeakPolarHBondContact O-CG1 3.41Å; V25-I29 PolarHBondContact O-N 2.74Å
26Y94.1Very high84Confident21 Ų2162.6 Ų62.68%0.08233%0.331CS..Hα-helixtrans-58.4-49.2176.8-58.3-30.7000111.9N22 M23 K28 I29 E30 Y93 P120N22-Y26 HydrophobicContact CB-CE1 4.27Å; N22-Y26 HydrophobicContact CB-CE2 3.86Å; N22-Y26 PolarHBondContact O-N 2.86Å; N22-Y26 VanDerWaalsContact O-N 3.16Å; M23-Y26 PolarHBondContact O-N 3.27Å; M23-Y26 VanDerWaalsContact O-N 3.1Å; M23-Y26 HydrophobicContact SD-CD2 4.36Å; Y26-K28 VanDerWaalsContact C-N 3.3Å; Y26-K28 PolarHBondContact O-N 3.41Å; Y26-I29 PolarHBondContact O-N 3.12Å; Y26-I29 VanDerWaalsContact O-N 3.1Å; Y26-E30 WeakPolarHBondContact O-CB 3.41Å; Y26-E30 VanDerWaalsContact O-CG 3.25Å; Y26-E30 WeakPolarHBondContact O-CG 3.45Å; Y26-E30 PolarHBondContact O-N 3.38Å; Y26-Y93 WeakPolarHBondContact CB-OH 3.42Å; Y26-P120 HydrophobicContact CD1-CB 4.16Å; Y26-P120 HydrophobicContact CD2-CB 4.45Å; Y26-P120 HydrophobicContact CE1-CB 3.89Å; Y26-P120 HydrophobicContact CE2-CB 4.17Å; Y26-P120 HydrophobicContact CG-CB 4.46Å
27C95.1Very high86.4Confident55 Ų5561.5 Ų61.537%0.37232%0.317SS..Hα-helixtrans-57.7-41.9177.5-61.90000112.3M23 I29 E30 D31M23-C27 PolarHBondContact O-N 3.25Å; M23-C27 PolarHBondContact O-SG 3.42Å; C27-I29 PolarHBondContact O-N 3.03Å; C27-E30 PolarHBondContact O-N 3.19Å; C27-D31 VanDerWaalsContact O-CG 3.31Å; C27-D31 PolarHBondContact O-N 2.93Å
28K96.7Very high88.6Confident134 Ų13458.8 Ų58.858%0.58331%0.306SS*.Hα-helixtrans-64.5-38.8177.1-74.8179.2178.3-168.70112.7I24 V25 Y26 I32I24-K28 VanDerWaalsContact O-CG 3.31Å; I24-K28 WeakPolarHBondContact O-CG 3.3Å; I24-K28 PolarHBondContact O-N 3.11Å; V25-K28 PolarHBondContact O-N 3.16Å; Y26-K28 VanDerWaalsContact C-N 3.3Å; Y26-K28 PolarHBondContact O-N 3.41Å; K28-I32 WeakPolarHBondContact O-CG1 3.29Å; K28-I32 PolarHBondContact O-N 3.24Å
29I97.9Very high90.1Very high19 Ų1957.6 Ų57.610%0.09731%0.305CS..Hα-helixtrans-67-43.2175.2-65.3168.1000109.8V25 Y26 C27 D31 I32 I33 I88 Q91 Y93V25-I29 HydrophobicContact CG1-CD1 4.02Å; V25-I29 WeakPolarHBondContact O-CG1 3.41Å; V25-I29 PolarHBondContact O-N 2.74Å; Y26-I29 PolarHBondContact O-N 3.12Å; Y26-I29 VanDerWaalsContact O-N 3.1Å; C27-I29 PolarHBondContact O-N 3.03Å; I29-D31 VanDerWaalsContact C-N 3.32Å; I29-D31 PolarHBondContact O-N 2.95Å; I29-I32 WeakPolarHBondContact O-CA 3.48Å; I29-I32 WeakPolarHBondContact O-CB 3.42Å; I29-I32 PolarHBondContact O-N 3.36Å; I29-I33 HydrophobicContact CG2-CG1 4.07Å; I29-I33 VanDerWaalsContact O-CG1 3.29Å; I29-I33 WeakPolarHBondContact O-CG1 3.12Å; I29-I33 PolarHBondContact O-N 3.08Å; I29-I88 HydrophobicContact CG1-CG1 4.5Å; I29-I88 HydrophobicContact CG2-CB 4.42Å; I29-I88 HydrophobicContact CG2-CG1 3.98Å; I29-I88 HydrophobicContact CG2-CG2 3.98Å; I29-Q91 HydrophobicContact CD1-CG 4.23Å; I29-Y93 HydrophobicContact CB-CD2 4.3Å; I29-Y93 HydrophobicContact CB-CE2 4Å; I29-Y93 HydrophobicContact CD1-CE2 4.17Å; I29-Y93 HydrophobicContact CG2-CD1 4.33Å; I29-Y93 HydrophobicContact CG2-CD2 3.34Å; I29-Y93 HydrophobicContact CG2-CE2 3.54Å; I29-Y93 HydrophobicContact CG2-CG 3.75Å
30E97.5Very high91.1Very high28 Ų2864.7 Ų64.713%0.13133%0.33CS..Hα-helixtrans-63.2-36.4179.8-71.9170.4-160.600112.9Y26 C27 I32 I33 T34 Y93 W119 S121Y26-E30 WeakPolarHBondContact O-CB 3.41Å; Y26-E30 VanDerWaalsContact O-CG 3.25Å; Y26-E30 WeakPolarHBondContact O-CG 3.45Å; Y26-E30 PolarHBondContact O-N 3.38Å; C27-E30 PolarHBondContact O-N 3.19Å; E30-I32 VanDerWaalsContact C-N 3.31Å; E30-I32 PolarHBondContact O-N 3.44Å; E30-I33 PolarHBondContact O-N 3.36Å; E30-T34 WeakPolarHBondContact O-CB 3.37Å; E30-T34 PolarHBondContact O-N 3.44Å; E30-T34 PolarHBondContact O-OG1 3.07Å; E30-Y93 HydrophobicContact CG-CD1 4.21Å; E30-Y93 HydrophobicContact CG-CE1 3.3Å; E30-Y93 WeakPolarHBondContact OE1-CE1 3.42Å; E30-Y93 PolarHBondContact OE1-OH 3.27Å; E30-W119 HydrophobicContact CB-CE3 4.31Å; E30-W119 HydrophobicContact CB-CH2 4.32Å; E30-W119 HydrophobicContact CB-CZ3 3.82Å; E30-W119 HydrophobicContact CG-CD2 4.11Å; E30-W119 HydrophobicContact CG-CE3 3.45Å; E30-W119 VanDerWaalsContact CG-CE3 3.45Å; E30-W119 HydrophobicContact CG-CH2 4.15Å; E30-W119 HydrophobicContact CG-CZ3 3.46Å; E30-W119 VanDerWaalsContact CG-CZ3 3.46Å; E30-S121 WeakPolarHBondContact OE1-CB 3.44Å; E30-S121 PolarHBondContact OE1-OG 2.94Å
31D97.1Very high91.6Very high100 Ų10068.2 Ų68.254%0.53535%0.351SS..Hα-helixtrans-61-41.3171.5-73.9-19.9000111.5C27 I29 K35C27-D31 VanDerWaalsContact O-CG 3.31Å; C27-D31 PolarHBondContact O-N 2.93Å; I29-D31 VanDerWaalsContact C-N 3.32Å; I29-D31 PolarHBondContact O-N 2.95Å; D31-K35 WeakPolarHBondContact O-CG 3.25Å; D31-K35 PolarHBondContact O-N 2.85Å
32I97.8Very high92.2Very high29 Ų2968.7 Ų68.715%0.14936%0.363CS..Hα-helixtrans-64.7-48.5175-66167.8000110K28 I29 E30 T34 K35 M36 W68 L69 L73 I88K28-I32 WeakPolarHBondContact O-CG1 3.29Å; K28-I32 PolarHBondContact O-N 3.24Å; I29-I32 WeakPolarHBondContact O-CA 3.48Å; I29-I32 WeakPolarHBondContact O-CB 3.42Å; I29-I32 PolarHBondContact O-N 3.36Å; E30-I32 VanDerWaalsContact C-N 3.31Å; E30-I32 PolarHBondContact O-N 3.44Å; I32-T34 VanDerWaalsContact C-N 3.28Å; I32-T34 PolarHBondContact O-N 3.41Å; I32-K35 PolarHBondContact O-N 3.28Å; I32-M36 HydrophobicContact CG2-CE 3.86Å; I32-M36 HydrophobicContact CG2-CG 4.36Å; I32-M36 HydrophobicContact CG2-SD 4.21Å; I32-M36 WeakPolarHBondContact O-CG 3.34Å; I32-M36 PolarHBondContact O-N 2.95Å; I32-W68 HydrophobicContact CG2-CH2 4.43Å; I32-W68 HydrophobicContact CG2-CZ3 3.96Å; I32-L69 HydrophobicContact CG2-CD2 4.22Å; I32-L73 HydrophobicContact CD1-CD1 4.22Å; I32-I88 HydrophobicContact CG2-CD1 4.27Å
33I98.1Very high92.7Very high0 Ų068.2 Ų68.20%036%0.364CS..Hα-helixtrans-61.5-36.6-179.5-67.9-67000112I29 E30 M36 Q37 I88 Y93 I94 F113 W119I29-I33 HydrophobicContact CG2-CG1 4.07Å; I29-I33 VanDerWaalsContact O-CG1 3.29Å; I29-I33 WeakPolarHBondContact O-CG1 3.12Å; I29-I33 PolarHBondContact O-N 3.08Å; E30-I33 PolarHBondContact O-N 3.36Å; I33-M36 HydrophobicContact CD1-SD 4.23Å; I33-M36 PolarHBondContact O-N 2.94Å; I33-Q37 WeakPolarHBondContact O-CG 3.39Å; I33-Q37 PolarHBondContact O-N 3.49Å; I33-Q37 PolarHBondContact O-NE2 3.17Å; I33-I88 HydrophobicContact CD1-CG2 3.72Å; I33-I88 HydrophobicContact CG1-CG2 4.39Å; I33-Y93 HydrophobicContact CG1-CD1 4.2Å; I33-Y93 HydrophobicContact CG1-CG 4.16Å; I33-I94 HydrophobicContact CD1-CD1 3.63Å; I33-I94 HydrophobicContact CD1-CG1 3.58Å; I33-F113 HydrophobicContact CD1-CD1 4.29Å; I33-F113 HydrophobicContact CD1-CE1 4.3Å; I33-F113 HydrophobicContact CG2-CD1 4.33Å; I33-W119 HydrophobicContact CG2-CH2 4.35Å; I33-W119 HydrophobicContact CG2-CZ2 3.79Å
34T96.1Very high93.1Very high82 Ų8266.3 Ų66.350%0.50336%0.355SS..Hα-helixtrans-66.1-44.8176.5-59.80000110.7E30 I32 Q37 D38E30-T34 WeakPolarHBondContact O-CB 3.37Å; E30-T34 PolarHBondContact O-N 3.44Å; E30-T34 PolarHBondContact O-OG1 3.07Å; I32-T34 VanDerWaalsContact C-N 3.28Å; I32-T34 PolarHBondContact O-N 3.41Å; T34-Q37 PolarHBondContact O-N 3.31Å; T34-D38 PolarHBondContact O-N 3.33Å
35K96.8Very high93.2Very high124 Ų12463.4 Ų63.454%0.53934%0.343SS..Hα-helixtrans-66-37.5175.8-68.7171.5-176.6176.10112.4D31 I32 Q37 D38 W68D31-K35 WeakPolarHBondContact O-CG 3.25Å; D31-K35 PolarHBondContact O-N 2.85Å; I32-K35 PolarHBondContact O-N 3.28Å; K35-Q37 PolarHBondContact O-N 3.35Å; K35-D38 PolarHBondContact O-N 2.79Å; K35-W68 HydrophobicContact CB-CH2 3.74Å; K35-W68 HydrophobicContact CB-CZ2 3.74Å
36M97.4Very high93.3Very high0 Ų063.4 Ų63.40%034%0.34CS..Hα-helixtrans-61.5-30.2175.4-77.1-178.5168.400112.8I32 I33 G43 V44 I65 W68 L69 I94 F113I32-M36 HydrophobicContact CG2-CE 3.86Å; I32-M36 HydrophobicContact CG2-CG 4.36Å; I32-M36 HydrophobicContact CG2-SD 4.21Å; I32-M36 WeakPolarHBondContact O-CG 3.34Å; I32-M36 PolarHBondContact O-N 2.95Å; I33-M36 HydrophobicContact CD1-SD 4.23Å; I33-M36 PolarHBondContact O-N 2.94Å; M36-G43 CarbonylContact O-C 3.49Å; M36-G43 VanDerWaalsContact O-CA 3.3Å; M36-G43 WeakPolarHBondContact O-CA 3.5Å; M36-V44 HydrophobicContact CB-CG2 4.09Å; M36-V44 HydrophobicContact CG-CG2 4.09Å; M36-V44 PolarHBondContact O-N 3.36Å; M36-I65 HydrophobicContact CE-CG2 3.86Å; M36-I65 HydrophobicContact SD-CG2 4.47Å; M36-W68 HydrophobicContact CE-CD2 4.43Å; M36-W68 HydrophobicContact CE-CE3 3.45Å; M36-W68 VanDerWaalsContact CE-CE3 3.45Å; M36-W68 HydrophobicContact CE-CZ3 3.66Å; M36-W68 HydrophobicContact CG-CD2 3.81Å; M36-W68 HydrophobicContact CG-CE3 3.47Å; M36-W68 VanDerWaalsContact CG-CE3 3.47Å; M36-W68 HydrophobicContact CG-CH2 3.68Å; M36-W68 HydrophobicContact CG-CZ2 3.98Å; M36-W68 HydrophobicContact CG-CZ3 3.42Å; M36-W68 VanDerWaalsContact CG-CZ3 3.42Å; M36-W68 HydrophobicContact SD-CE3 4.35Å; M36-W68 HydrophobicContact SD-CZ3 4.4Å; M36-L69 HydrophobicContact CE-CD1 4.12Å; M36-L69 HydrophobicContact CE-CD2 3.29Å; M36-L69 HydrophobicContact CE-CG 3.48Å; M36-L69 VanDerWaalsContact CE-CG 3.48Å; M36-I94 HydrophobicContact SD-CD1 3.92Å; M36-F113 HydrophobicContact CB-CE1 3.96Å; M36-F113 HydrophobicContact CB-CZ 3.9Å; M36-F113 HydrophobicContact SD-CE1 4.15Å
37Q95.1Very high93.2Very high75 Ų7569 Ų6935%0.3536%0.361SS..THydrogen-bonded Turntrans-94.41-179.4-71176.693.100113.5I33 T34 K35 D39 F113I33-Q37 WeakPolarHBondContact O-CG 3.39Å; I33-Q37 PolarHBondContact O-N 3.49Å; I33-Q37 PolarHBondContact O-NE2 3.17Å; T34-Q37 PolarHBondContact O-N 3.31Å; K35-Q37 PolarHBondContact O-N 3.35Å; Q37-D39 PolarHBondContact O-N 3.06Å; Q37-F113 HydrophobicContact CG-CD1 3.99Å; Q37-F113 HydrophobicContact CG-CD2 3.61Å; Q37-F113 HydrophobicContact CG-CE1 4.04Å; Q37-F113 HydrophobicContact CG-CE2 3.66Å; Q37-F113 HydrophobicContact CG-CG 3.79Å; Q37-F113 HydrophobicContact CG-CZ 3.89Å
38D92.2Very high93.1Very high55 Ų5569.9 Ų69.929%0.29436%0.364SS..  trans-87100.6-178.8-178.312.4000111.8T34 K35 K40 T41 G43T34-D38 PolarHBondContact O-N 3.33Å; K35-D38 PolarHBondContact O-N 2.79Å; D38-K40 PolarHBondContact O-N 2.84Å; D38-K40 VanDerWaalsContact O-N 3.14Å; D38-K40 WeakPolarHBondContact OD1-CB 3.32Å; D38-K40 PolarHBondContact OD1-N 3.49Å; D38-T41 WeakPolarHBondContact CB-OG1 3.25Å; D38-T41 PolarHBondContact O-N 3.45Å; D38-T41 WeakPolarHBondContact OD2-CB 3.45Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.43Å; D38-T41 PolarHBondContact OD2-OG1 2.86Å; D38-G43 WeakPolarHBondContact O-CA 3.42Å; D38-G43 PolarHBondContact O-N 3.13Å
39D81.8Confident92.8Very high130 Ų13065.8 Ų65.870%0.69535%0.351SS*.THydrogen-bonded Turntrans-59.5-23.3177.6-68.6-24.2000113.2Q37Q37-D39 PolarHBondContact O-N 3.06Å
40K82.4Confident92.5Very high197 Ų19772.6 Ų72.686%0.85738%0.379SS*.THydrogen-bonded Turntrans-81-31.3-177.2-65.1177.7179.81760113D38D38-K40 PolarHBondContact O-N 2.84Å; D38-K40 VanDerWaalsContact O-N 3.14Å; D38-K40 WeakPolarHBondContact OD1-CB 3.32Å; D38-K40 PolarHBondContact OD1-N 3.49Å
41T78.5Confident91.9Very high93 Ų9374.5 Ų74.557%0.57140%0.396SS*.THydrogen-bonded Turntrans-99.49.9-176.953.90000112.9D38D38-T41 WeakPolarHBondContact CB-OG1 3.25Å; D38-T41 PolarHBondContact O-N 3.45Å; D38-T41 WeakPolarHBondContact OD2-CB 3.45Å; D38-T41 WeakPolarHBondContact OD2-CG2 3.43Å; D38-T41 PolarHBondContact OD2-OG1 2.86Å
42G86.9Confident91.2Very high49 Ų4979.6 Ų79.651%0.50541%0.414SS..THydrogen-bonded Turntrans80.743.6-179.700000112.6W68G42-W68 PolarHBondContact O-NE1 3.18Å; G42-W68 VanDerWaalsContact O-NE1 3.16Å
43G93.4Very high90.2Very high15 Ų1585.6 Ų85.616%0.15545%0.445CS..  trans-55.3176.9168.300000114M36 D38M36-G43 CarbonylContact O-C 3.49Å; M36-G43 VanDerWaalsContact O-CA 3.3Å; M36-G43 WeakPolarHBondContact O-CA 3.5Å; D38-G43 WeakPolarHBondContact O-CA 3.42Å; D38-G43 PolarHBondContact O-N 3.13Å
44V96.1Very high89.4Confident0 Ų088 Ų880%046%0.462CS..  trans-70.1129.8179.2-174.70000109.2M36 I46 V60 D64 I65 W68 F113M36-V44 HydrophobicContact CB-CG2 4.09Å; M36-V44 HydrophobicContact CG-CG2 4.09Å; M36-V44 PolarHBondContact O-N 3.36Å; V44-I46 PolarHBondContact O-N 3.5Å; V44-V60 HydrophobicContact CB-CG1 4.31Å; V44-V60 HydrophobicContact CG1-CB 3.75Å; V44-V60 HydrophobicContact CG1-CG1 3.65Å; V44-V60 HydrophobicContact CG1-CG2 4.45Å; V44-D64 HydrophobicContact CG1-CB 3.77Å; V44-I65 HydrophobicContact CG1-CG1 4.11Å; V44-W68 HydrophobicContact CG2-CB 3.69Å; V44-W68 HydrophobicContact CG2-CD2 4.17Å; V44-W68 HydrophobicContact CG2-CG 3.6Å; V44-F113 HydrophobicContact CB-CZ 4.48Å
45P93.3Very high89Confident52 Ų5290 Ų9034%0.33846%0.463SS..  trans-68.3106.7-174.527.1-35.6000112.2D64P45-D64 HydrophobicContact CG-CB 4.29Å
46I94.7Very high88.6Confident74 Ų7486 Ų8638%0.37945%0.448SS..  trans-79.7122175.8-55.4176.2000109.9V44 V60 F113V44-I46 PolarHBondContact O-N 3.5Å; I46-V60 HydrophobicContact CB-CG1 4.34Å; I46-V60 HydrophobicContact CG1-CG1 3.77Å; I46-F113 HydrophobicContact CD1-CD2 4.08Å; I46-F113 HydrophobicContact CD1-CE2 4Å; I46-F113 HydrophobicContact CG1-CE2 4.13Å
47R92.4Very high88.3Confident139 Ų13986.6 Ų86.653%0.52545%0.452SS..EExtended strand (participates in β ladder)trans-123.7158.1-173.7-59-179.4-168.1176.87.6112.8S58 V59R47-S58 PolarHBondContact O-N 3.47Å; R47-S58 VanDerWaalsContact O-N 3.15Å; R47-V59 PolarHBondContact N-O 3.19Å; R47-V59 WeakPolarHBondContact O-CG2 3.48Å; R47-V59 PolarHBondContact O-N 3.27Å
48T93.1Very high88.2Confident72 Ų7285.8 Ų85.844%0.44245%0.454SS..EExtended strand (participates in β ladder)trans-104.9112.7163.9-66.60000108.9K55 I56T48-K55 HydrophobicContact CG2-CD 4.33Å; T48-K55 HydrophobicContact CG2-CG 3.82Å; T48-I56 CarbonylContact C-O 3.54Å; T48-I56 WeakPolarHBondContact CA-O 3.35Å
49V90.9Very high88.4Confident49 Ų4983.3 Ų83.330%0.29744%0.441SS..EExtended strand (participates in β ladder)trans-90127.9-179-177.90000109.5K55 I56 V59 F110V49-K55 WeakPolarHBondContact O-CA 3.35Å; V49-I56 PolarHBondContact N-O 2.64Å; V49-I56 PolarHBondContact O-N 3.15Å; V49-V59 HydrophobicContact CG2-CG2 3.77Å; V49-F110 HydrophobicContact CB-CZ 4.3Å; V49-F110 HydrophobicContact CG1-CE2 4.44Å; V49-F110 HydrophobicContact CG1-CZ 4.01Å; V49-F110 HydrophobicContact CG2-CE1 3.74Å; V49-F110 HydrophobicContact CG2-CZ 3.8Å
50K89.9Confident89.1Confident161 Ų16177.2 Ų77.270%0.741%0.409SS*.EExtended strand (participates in β ladder)trans-112.7129.3176.8-69176.9-176.6175.20109.2K55K50-K55 HydrophobicContact CG-CD 4.45Å; K50-K55 HydrophobicContact CG-CG 4.04Å
51S86Confident89.9Confident69 Ų6969.2 Ų69.248%0.48338%0.376SS..  trans-123174.3168.775.70000109.6L53 S54S51-L53 PolarHBondContact O-N 3.08Å; S51-L53 PolarHBondContact OG-N 3.43Å; S51-S54 PolarHBondContact N-O 3.07Å; S51-S54 PolarHBondContact OG-N 3.4Å; S51-S54 PolarHBondContact OG-O 3.27Å; S51-S54 PolarHBondContact OG-OG 3.23Å
52F82.1Confident90.8Very high206 Ų20664.8 Ų64.890%0.90435%0.349SS*.SBendtrans-57.5-35.5177.3-176.8-107.4000113
53L77.2Confident91.3Very high156 Ų15664.8 Ų64.882%0.81734%0.339SS*.SBendtrans-104.5-14.7-175.1-64.2174.9000113.9S51S51-L53 PolarHBondContact O-N 3.08Å; S51-L53 PolarHBondContact OG-N 3.43Å
54S80.9Confident91.5Very high49 Ų4966.1 Ų66.134%0.34334%0.343SS..  trans-149.9146.1-170.8720000113.9S51S51-S54 PolarHBondContact N-O 3.07Å; S51-S54 PolarHBondContact OG-N 3.4Å; S51-S54 PolarHBondContact OG-O 3.27Å; S51-S54 PolarHBondContact OG-OG 3.23Å
55K87.3Confident91.6Very high124 Ų12466.1 Ų66.154%0.53934%0.343SS..EExtended strand (participates in β ladder)trans-117.2117.9165.8-179.2179.8177.8-169.80107.6T48 V49 K50T48-K55 HydrophobicContact CG2-CD 4.33Å; T48-K55 HydrophobicContact CG2-CG 3.82Å; V49-K55 WeakPolarHBondContact O-CA 3.35Å; K50-K55 HydrophobicContact CG-CD 4.45Å; K50-K55 HydrophobicContact CG-CG 4.04Å
56I88.6Confident91.9Very high42 Ų4263.6 Ų63.622%0.21533%0.327CS..EExtended strand (participates in β ladder)trans-112.4103-177.5-52.7179.6000107.9T48 V49 V59 I97T48-I56 CarbonylContact C-O 3.54Å; T48-I56 WeakPolarHBondContact CA-O 3.35Å; V49-I56 PolarHBondContact N-O 2.64Å; V49-I56 PolarHBondContact O-N 3.15Å; I56-V59 HydrophobicContact CG2-CG1 3.59Å; I56-V59 HydrophobicContact CG2-CG2 4.45Å; I56-I97 HydrophobicContact CD1-CD1 4.16Å; I56-I97 HydrophobicContact CG2-CD1 3.67Å
57P92.2Very high92.1Very high12 Ų1264.9 Ų64.98%0.07833%0.331CS..EExtended strand (participates in β ladder)trans-77.8158.6-178.936.2-41000111.6V59 R112 T187 I191P57-V59 PolarHBondContact O-N 3.02Å; P57-R112 PolarHBondContact O-NH1 3.16Å; P57-R112 PolarHBondContact O-NH2 3.45Å; P57-T187 HydrophobicContact CB-CG2 3.94Å; P57-T187 HydrophobicContact CG-CG2 3.56Å; P57-I191 HydrophobicContact CB-CD1 4.41Å; P57-I191 HydrophobicContact CG-CD1 3.87Å; P57-I191 HydrophobicContact CG-CG1 4.06Å
58S92.5Very high92.3Very high58 Ų5859.1 Ų59.141%0.40631%0.309SS..EExtended strand (participates in β ladder)trans49.459.1164.9-46.80000114.3R47 R112R47-S58 PolarHBondContact O-N 3.47Å; R47-S58 VanDerWaalsContact O-N 3.15Å; S58-R112 WeakPolarHBondContact O-CG 3.37Å; S58-R112 PolarHBondContact O-NH1 2.87Å
59V95.8Very high92.6Very high2 Ų255.7 Ų55.71%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-123.1153.1176.5-68.20000111.5R47 V49 I56 P57 I97 F110 Y111 R112R47-V59 PolarHBondContact N-O 3.19Å; R47-V59 WeakPolarHBondContact O-CG2 3.48Å; R47-V59 PolarHBondContact O-N 3.27Å; V49-V59 HydrophobicContact CG2-CG2 3.77Å; I56-V59 HydrophobicContact CG2-CG1 3.59Å; I56-V59 HydrophobicContact CG2-CG2 4.45Å; P57-V59 PolarHBondContact O-N 3.02Å; V59-I97 HydrophobicContact CG1-CD1 4.11Å; V59-I97 HydrophobicContact CG1-CG2 4.16Å; V59-F110 HydrophobicContact CB-CB 4.15Å; V59-F110 HydrophobicContact CB-CD1 4.17Å; V59-F110 HydrophobicContact CB-CG 4.37Å; V59-F110 HydrophobicContact CG1-CB 4.2Å; V59-F110 HydrophobicContact CG2-CD1 3.85Å; V59-F110 HydrophobicContact CG2-CE1 4.34Å; V59-F110 HydrophobicContact CG2-CG 4.25Å; V59-Y111 VanDerWaalsContact CA-O 3.3Å; V59-Y111 WeakPolarHBondContact CA-O 3.46Å; V59-R112 HydrophobicContact CG1-CG 4.22Å
60V97.3Very high92.9Very high3 Ų355 Ų552%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-121.1155.1170.1-640000108.8V44 I46 I65 F110 Y111 F113V44-V60 HydrophobicContact CB-CG1 4.31Å; V44-V60 HydrophobicContact CG1-CB 3.75Å; V44-V60 HydrophobicContact CG1-CG1 3.65Å; V44-V60 HydrophobicContact CG1-CG2 4.45Å; I46-V60 HydrophobicContact CB-CG1 4.34Å; I46-V60 HydrophobicContact CG1-CG1 3.77Å; V60-I65 HydrophobicContact CB-CG1 4.45Å; V60-I65 HydrophobicContact CG2-CD1 3.56Å; V60-I65 HydrophobicContact CG2-CG1 3.86Å; V60-F110 WeakPolarHBondContact O-CA 3.37Å; V60-Y111 PolarHBondContact N-O 3.42Å; V60-Y111 PolarHBondContact O-N 3.19Å; V60-F113 HydrophobicContact CG1-CE2 3.95Å; V60-F113 HydrophobicContact CG2-CE2 4.44Å
61T97.8Very high93.3Very high28 Ų2855.5 Ų55.517%0.17228%0.284CS..EExtended strand (participates in β ladder)trans-89.1154.1175.269.40000110.9T63 D64 I65 T109 F110T61-T63 VanDerWaalsContact C-N 3.32Å; T61-T63 PolarHBondContact O-N 3.14Å; T61-D64 PolarHBondContact O-N 2.88Å; T61-D64 WeakPolarHBondContact OG1-CB 3.26Å; T61-D64 PolarHBondContact OG1-N 3.38Å; T61-D64 VanDerWaalsContact OG1-N 3.09Å; T61-D64 PolarHBondContact OG1-OD2 2.91Å; T61-I65 WeakPolarHBondContact O-CG1 3.48Å; T61-I65 PolarHBondContact O-N 3.31Å; T61-T109 CarbonylContact C-O 3.56Å; T61-T109 WeakPolarHBondContact CA-O 3.38Å; T61-F110 HydrophobicContact CG2-CD1 4.2Å; T61-F110 HydrophobicContact CG2-CE1 3.97Å
62G98.1Very high93.8Very high0 Ų055.7 Ų55.70%028%0.28CS..Hα-helixtrans-57.9-45.517400000112.1D64 I65 V66 K105 D107 T109G62-D64 PolarHBondContact O-N 3.44Å; G62-I65 PolarHBondContact O-N 2.85Å; G62-I65 VanDerWaalsContact O-N 3.16Å; G62-V66 WeakPolarHBondContact O-CG2 3.46Å; G62-V66 PolarHBondContact O-N 2.89Å; G62-K105 CarbonylContact C-O 3.29Å; G62-K105 VanDerWaalsContact CA-O 3.23Å; G62-K105 WeakPolarHBondContact CA-O 3.17Å; G62-D107 PolarHBondContact N-O 3.16Å; G62-T109 PolarHBondContact N-O 3.45Å
63T98.2Very high94.5Very high50 Ų5049.1 Ų49.131%0.30725%0.254SS..Hα-helixtrans-58-43.4174.6-59.50000113.1T61 I65 V66 Q67 D106 D107T61-T63 VanDerWaalsContact C-N 3.32Å; T61-T63 PolarHBondContact O-N 3.14Å; T63-I65 VanDerWaalsContact C-N 3.31Å; T63-I65 PolarHBondContact O-N 3.17Å; T63-V66 PolarHBondContact O-N 3.29Å; T63-Q67 HydrophobicContact CG2-CG 4.18Å; T63-Q67 WeakPolarHBondContact O-CB 3.44Å; T63-Q67 VanDerWaalsContact O-CG 3.26Å; T63-Q67 WeakPolarHBondContact O-CG 3.31Å; T63-Q67 PolarHBondContact O-N 3.05Å; T63-D106 VanDerWaalsContact CA-OD1 3.23Å; T63-D106 WeakPolarHBondContact CA-OD1 3.45Å; T63-D106 WeakPolarHBondContact CB-OD1 3.4Å; T63-D106 PolarHBondContact OG1-OD1 2.68Å; T63-D107 PolarHBondContact N-O 3.01Å; T63-D107 VanDerWaalsContact N-O 3.09Å; T63-D107 WeakPolarHBondContact OG1-CA 3.45Å; T63-D107 PolarHBondContact OG1-N 2.71Å; T63-D107 PolarHBondContact OG1-O 3.18Å
64D97.9Very high95.5Very high42 Ų4246.8 Ų46.823%0.22525%0.25CS..Hα-helixtrans-62.5-38.5177.9-67.8-44.1000111.8V44 P45 T61 G62 W68V44-D64 HydrophobicContact CG1-CB 3.77Å; P45-D64 HydrophobicContact CG-CB 4.29Å; T61-D64 PolarHBondContact O-N 2.88Å; T61-D64 WeakPolarHBondContact OG1-CB 3.26Å; T61-D64 PolarHBondContact OG1-N 3.38Å; T61-D64 VanDerWaalsContact OG1-N 3.09Å; T61-D64 PolarHBondContact OG1-OD2 2.91Å; G62-D64 PolarHBondContact O-N 3.44Å; D64-W68 VanDerWaalsContact O-CB 3.28Å; D64-W68 WeakPolarHBondContact O-CB 3.44Å; D64-W68 PolarHBondContact O-N 3.26Å
65I98.3Very high96.3Very high0 Ų045.2 Ų45.20%024%0.238CC..Hα-helixtrans-67.3-47.7176.9-62.7162.7000110.7M36 V44 V60 T61 G62 T63 W68 L69 I94 M104 Y111M36-I65 HydrophobicContact CE-CG2 3.86Å; M36-I65 HydrophobicContact SD-CG2 4.47Å; V44-I65 HydrophobicContact CG1-CG1 4.11Å; V60-I65 HydrophobicContact CB-CG1 4.45Å; V60-I65 HydrophobicContact CG2-CD1 3.56Å; V60-I65 HydrophobicContact CG2-CG1 3.86Å; T61-I65 WeakPolarHBondContact O-CG1 3.48Å; T61-I65 PolarHBondContact O-N 3.31Å; G62-I65 PolarHBondContact O-N 2.85Å; G62-I65 VanDerWaalsContact O-N 3.16Å; T63-I65 VanDerWaalsContact C-N 3.31Å; T63-I65 PolarHBondContact O-N 3.17Å; I65-W68 PolarHBondContact O-N 3.39Å; I65-L69 HydrophobicContact CG2-CD1 4.06Å; I65-L69 HydrophobicContact CG2-CG 4.44Å; I65-L69 WeakPolarHBondContact O-CG 3.49Å; I65-L69 PolarHBondContact O-N 3.4Å; I65-I94 HydrophobicContact CD1-CD1 4.4Å; I65-I94 HydrophobicContact CD1-CG2 4.02Å; I65-I94 HydrophobicContact CG2-CD1 4.48Å; I65-M104 HydrophobicContact CB-SD 4.05Å; I65-M104 HydrophobicContact CG2-SD 3.54Å; I65-M104 VanDerWaalsContact CG2-SD 3.54Å; I65-Y111 HydrophobicContact CD1-CD2 4.19Å; I65-Y111 HydrophobicContact CD1-CG 4.07Å
66V98.5Very high96.8Very high0 Ų048 Ų480%025%0.253CS..Hα-helixtrans-60.3-48.1-179.1171.50000110.7G62 T63 W68 L69 M70 A81 I82 M104 D106G62-V66 WeakPolarHBondContact O-CG2 3.46Å; G62-V66 PolarHBondContact O-N 2.89Å; T63-V66 PolarHBondContact O-N 3.29Å; V66-W68 VanDerWaalsContact C-N 3.29Å; V66-W68 PolarHBondContact O-N 3.39Å; V66-L69 WeakPolarHBondContact O-CB 3.41Å; V66-L69 PolarHBondContact O-N 3.06Å; V66-L69 VanDerWaalsContact O-N 3.17Å; V66-M70 HydrophobicContact CG1-SD 4.26Å; V66-M70 WeakPolarHBondContact O-CG 3.33Å; V66-M70 PolarHBondContact O-N 3.22Å; V66-A81 HydrophobicContact CG1-CB 4.24Å; V66-I82 HydrophobicContact CG1-CG1 4.12Å; V66-I82 HydrophobicContact CG2-CG1 3.87Å; V66-M104 HydrophobicContact CG2-CE 3.56Å; V66-M104 HydrophobicContact CG2-CG 4.48Å; V66-M104 HydrophobicContact CG2-SD 4.15Å; V66-D106 HydrophobicContact CG1-CB 4.48Å; V66-D106 HydrophobicContact CG2-CB 4.08Å
67Q98.1Very high97.2Very high100 Ų10050 Ų5047%0.46726%0.264SS..Hα-helixtrans-63.3-37177.9-68.3-57.9-37.900112.2T63 K71T63-Q67 HydrophobicContact CG2-CG 4.18Å; T63-Q67 WeakPolarHBondContact O-CB 3.44Å; T63-Q67 VanDerWaalsContact O-CG 3.26Å; T63-Q67 WeakPolarHBondContact O-CG 3.31Å; T63-Q67 PolarHBondContact O-N 3.05Å; Q67-K71 WeakPolarHBondContact O-CB 3.45Å; Q67-K71 PolarHBondContact O-N 3.37Å
68W98.1Very high97.5Very high19 Ų1952 Ų527%0.07228%0.277CS..Hα-helixtrans-64.4-43.4174.4-172.199.1000111.8I32 K35 M36 G42 V44 D64 I65 V66 K71 N72I32-W68 HydrophobicContact CG2-CH2 4.43Å; I32-W68 HydrophobicContact CG2-CZ3 3.96Å; K35-W68 HydrophobicContact CB-CH2 3.74Å; K35-W68 HydrophobicContact CB-CZ2 3.74Å; M36-W68 HydrophobicContact CE-CD2 4.43Å; M36-W68 HydrophobicContact CE-CE3 3.45Å; M36-W68 VanDerWaalsContact CE-CE3 3.45Å; M36-W68 HydrophobicContact CE-CZ3 3.66Å; M36-W68 HydrophobicContact CG-CD2 3.81Å; M36-W68 HydrophobicContact CG-CE3 3.47Å; M36-W68 VanDerWaalsContact CG-CE3 3.47Å; M36-W68 HydrophobicContact CG-CH2 3.68Å; M36-W68 HydrophobicContact CG-CZ2 3.98Å; M36-W68 HydrophobicContact CG-CZ3 3.42Å; M36-W68 VanDerWaalsContact CG-CZ3 3.42Å; M36-W68 HydrophobicContact SD-CE3 4.35Å; M36-W68 HydrophobicContact SD-CZ3 4.4Å; G42-W68 PolarHBondContact O-NE1 3.18Å; G42-W68 VanDerWaalsContact O-NE1 3.16Å; V44-W68 HydrophobicContact CG2-CB 3.69Å; V44-W68 HydrophobicContact CG2-CD2 4.17Å; V44-W68 HydrophobicContact CG2-CG 3.6Å; D64-W68 VanDerWaalsContact O-CB 3.28Å; D64-W68 WeakPolarHBondContact O-CB 3.44Å; D64-W68 PolarHBondContact O-N 3.26Å; I65-W68 PolarHBondContact O-N 3.39Å; V66-W68 VanDerWaalsContact C-N 3.29Å; V66-W68 PolarHBondContact O-N 3.39Å; W68-K71 PolarHBondContact O-N 3.49Å; W68-N72 HydrophobicContact CD2-CB 4.26Å; W68-N72 VanDerWaalsContact CE2-ND2 3.29Å; W68-N72 HydrophobicContact CE3-CB 4.22Å; W68-N72 HydrophobicContact CH2-CB 4.01Å; W68-N72 HydrophobicContact CZ2-CB 4.04Å; W68-N72 HydrophobicContact CZ3-CB 4.09Å; W68-N72 PolarHBondContact NE1-ND2 3.24Å; W68-N72 WeakPolarHBondContact O-CB 3.23Å; W68-N72 PolarHBondContact O-N 3.2Å; W68-N72 PolarHBondContact O-ND2 3.16Å
69L98.4Very high97.7Very high0 Ų053.9 Ų53.90%029%0.286CS..Hα-helixtrans-61.3-50177-75.9168.7000111.3I32 M36 I65 V66 K71 N72 L73 A81 L84 M104I32-L69 HydrophobicContact CG2-CD2 4.22Å; M36-L69 HydrophobicContact CE-CD1 4.12Å; M36-L69 HydrophobicContact CE-CD2 3.29Å; M36-L69 HydrophobicContact CE-CG 3.48Å; M36-L69 VanDerWaalsContact CE-CG 3.48Å; I65-L69 HydrophobicContact CG2-CD1 4.06Å; I65-L69 HydrophobicContact CG2-CG 4.44Å; I65-L69 WeakPolarHBondContact O-CG 3.49Å; I65-L69 PolarHBondContact O-N 3.4Å; V66-L69 WeakPolarHBondContact O-CB 3.41Å; V66-L69 PolarHBondContact O-N 3.06Å; V66-L69 VanDerWaalsContact O-N 3.17Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.41Å; L69-N72 PolarHBondContact O-N 2.92Å; L69-L73 HydrophobicContact CD2-CD1 3.64Å; L69-L73 HydrophobicContact CD2-CG 4.49Å; L69-L73 VanDerWaalsContact O-CB 3.29Å; L69-L73 WeakPolarHBondContact O-CB 3.44Å; L69-L73 PolarHBondContact O-N 2.96Å; L69-A81 HydrophobicContact CB-CB 4.27Å; L69-L84 HydrophobicContact CD2-CD2 4.21Å; L69-M104 HydrophobicContact CD1-CE 3.97Å
70M98.3Very high97.9Very high34 Ų3459.1 Ų59.117%0.16731%0.311CS..Hα-helixtrans-55.4-49.3178.2-69.9-177.175.200111.9V66 S74 I75 E76 P78 A81V66-M70 HydrophobicContact CG1-SD 4.26Å; V66-M70 WeakPolarHBondContact O-CG 3.33Å; V66-M70 PolarHBondContact O-N 3.22Å; M70-S74 CarbonylContact O-C 3.52Å; M70-S74 WeakPolarHBondContact O-CA 3.44Å; M70-S74 PolarHBondContact O-N 2.88Å; M70-S74 VanDerWaalsContact O-N 3.11Å; M70-I75 PolarHBondContact O-N 2.77Å; M70-E76 WeakPolarHBondContact CE-O 3.43Å; M70-P78 HydrophobicContact CE-CB 4.32Å; M70-P78 HydrophobicContact CE-CG 3.75Å; M70-P78 HydrophobicContact SD-CB 4.08Å; M70-P78 HydrophobicContact SD-CG 4.09Å; M70-A81 HydrophobicContact CG-CB 3.51Å
71K97.3Very high97.9Very high172 Ų17259 Ų5975%0.74831%0.31SS*.Hα-helixtrans-68-46.9-178-177.4-178.2175.2-174.20113.2Q67 W68 L69Q67-K71 WeakPolarHBondContact O-CB 3.45Å; Q67-K71 PolarHBondContact O-N 3.37Å; W68-K71 PolarHBondContact O-N 3.49Å; L69-K71 VanDerWaalsContact C-N 3.34Å; L69-K71 PolarHBondContact O-N 3.41Å
72N97Very high98Very high73 Ų7359.9 Ų59.939%0.3931%0.313SS..Hα-helixtrans-87.9-19-169.3-70-85.3000113.6W68 L69W68-N72 HydrophobicContact CD2-CB 4.26Å; W68-N72 VanDerWaalsContact CE2-ND2 3.29Å; W68-N72 HydrophobicContact CE3-CB 4.22Å; W68-N72 HydrophobicContact CH2-CB 4.01Å; W68-N72 HydrophobicContact CZ2-CB 4.04Å; W68-N72 HydrophobicContact CZ3-CB 4.09Å; W68-N72 PolarHBondContact NE1-ND2 3.24Å; W68-N72 WeakPolarHBondContact O-CB 3.23Å; W68-N72 PolarHBondContact O-N 3.2Å; W68-N72 PolarHBondContact O-ND2 3.16Å; L69-N72 PolarHBondContact O-N 2.92Å
73L96.9Very high98Very high67 Ų6765.6 Ų65.635%0.35134%0.339SS..Hα-helixtrans-1084.5175.5-54.6-177.8000112.8I32 L69 I75 L84I32-L73 HydrophobicContact CD1-CD1 4.22Å; L69-L73 HydrophobicContact CD2-CD1 3.64Å; L69-L73 HydrophobicContact CD2-CG 4.49Å; L69-L73 VanDerWaalsContact O-CB 3.29Å; L69-L73 WeakPolarHBondContact O-CB 3.44Å; L69-L73 PolarHBondContact O-N 2.96Å; L73-I75 VanDerWaalsContact C-N 3.3Å; L73-I75 HydrophobicContact CB-CD1 3.98Å; L73-I75 HydrophobicContact CB-CG1 3.98Å; L73-I75 HydrophobicContact CD1-CD1 4.23Å; L73-I75 PolarHBondContact O-N 3.43Å; L73-L84 HydrophobicContact CD1-CD2 3.56Å
74S97.6Very high98Very high107 Ų10765.6 Ų65.675%0.74834%0.337SS*.THydrogen-bonded Turntrans54.542.9-177.9-55.30000113.1M70M70-S74 CarbonylContact O-C 3.52Å; M70-S74 WeakPolarHBondContact O-CA 3.44Å; M70-S74 PolarHBondContact O-N 2.88Å; M70-S74 VanDerWaalsContact O-N 3.11Å
75I98.3Very high98.1Very high16 Ų1663.7 Ų63.78%0.08233%0.327CS..  trans-87.1119.7177.1-58.5167.1000108.4M70 L73 D77 E80 A81 L84M70-I75 PolarHBondContact O-N 2.77Å; L73-I75 VanDerWaalsContact C-N 3.3Å; L73-I75 HydrophobicContact CB-CD1 3.98Å; L73-I75 HydrophobicContact CB-CG1 3.98Å; L73-I75 HydrophobicContact CD1-CD1 4.23Å; L73-I75 PolarHBondContact O-N 3.43Å; I75-D77 VanDerWaalsContact CG2-O 3.29Å; I75-D77 WeakPolarHBondContact CG2-O 3.46Å; I75-E80 HydrophobicContact CG2-CB 3.73Å; I75-E80 HydrophobicContact CG2-CG 3.86Å; I75-A81 HydrophobicContact CB-CB 4.49Å; I75-A81 HydrophobicContact CD1-CB 4.21Å; I75-A81 HydrophobicContact CG2-CB 4.09Å; I75-L84 HydrophobicContact CD1-CD2 3.95Å
76E97.5Very high98.1Very high184 Ų18464.8 Ų64.886%0.8634%0.335SS*.  trans-81.5-39.9-178.1-63.8-175.1176.100112.5M70 P78M70-E76 WeakPolarHBondContact CE-O 3.43Å; E76-P78 WeakPolarHBondContact O-CD 3.24Å
77D97.8Very high98.1Very high82 Ų8269 Ų6944%0.43936%0.357SS..  trans-88.1117.6-179.9-176-0.7000111.2I75 V79 E80 A81I75-D77 VanDerWaalsContact CG2-O 3.29Å; I75-D77 WeakPolarHBondContact CG2-O 3.46Å; D77-V79 PolarHBondContact O-N 2.93Å; D77-V79 VanDerWaalsContact O-N 3.15Å; D77-V79 WeakPolarHBondContact OD1-CB 3.49Å; D77-V79 PolarHBondContact OD1-N 2.83Å; D77-E80 HydrophobicContact CB-CB 4.31Å; D77-E80 WeakPolarHBondContact O-CB 3.27Å; D77-E80 PolarHBondContact O-N 3.36Å; D77-E80 VanDerWaalsContact O-N 3.1Å; D77-A81 PolarHBondContact O-N 2.88Å
78P97.5Very high98.1Very high56 Ų5664.2 Ų64.236%0.36434%0.335SS..Hα-helixtrans-54.5-32.1174.3-23.131.7000113.5M70 E76 E80 A81 I82M70-P78 HydrophobicContact CE-CB 4.32Å; M70-P78 HydrophobicContact CE-CG 3.75Å; M70-P78 HydrophobicContact SD-CB 4.08Å; M70-P78 HydrophobicContact SD-CG 4.09Å; E76-P78 WeakPolarHBondContact O-CD 3.24Å; P78-E80 VanDerWaalsContact C-N 3.33Å; P78-E80 PolarHBondContact O-N 3.09Å; P78-A81 PolarHBondContact O-N 3.22Å; P78-I82 WeakPolarHBondContact O-CD1 3.38Å; P78-I82 VanDerWaalsContact O-CG1 3.22Å; P78-I82 WeakPolarHBondContact O-CG1 3.27Å; P78-I82 PolarHBondContact O-N 3.09Å
79V98.3Very high98.1Very high97 Ų9763.4 Ų63.459%0.58833%0.332SS*.Hα-helixtrans-64.7-39.2179.9-179.10000110.9D77 I82 H83D77-V79 PolarHBondContact O-N 2.93Å; D77-V79 VanDerWaalsContact O-N 3.15Å; D77-V79 WeakPolarHBondContact OD1-CB 3.49Å; D77-V79 PolarHBondContact OD1-N 2.83Å; V79-I82 PolarHBondContact O-N 3.16Å; V79-H83 WeakPolarHBondContact O-CB 3.33Å; V79-H83 PolarHBondContact O-N 3.15Å
80E98.6Very high98.1Very high112 Ų11264.6 Ų64.652%0.52334%0.342SS..Hα-helixtrans-64.6-43174.8-179.8178.6-170.600111.2I75 D77 P78 H83 L84I75-E80 HydrophobicContact CG2-CB 3.73Å; I75-E80 HydrophobicContact CG2-CG 3.86Å; D77-E80 HydrophobicContact CB-CB 4.31Å; D77-E80 WeakPolarHBondContact O-CB 3.27Å; D77-E80 PolarHBondContact O-N 3.36Å; D77-E80 VanDerWaalsContact O-N 3.1Å; P78-E80 VanDerWaalsContact C-N 3.33Å; P78-E80 PolarHBondContact O-N 3.09Å; E80-H83 PolarHBondContact O-N 3.1Å; E80-L84 WeakPolarHBondContact O-CB 3.43Å; E80-L84 PolarHBondContact O-N 2.71Å
81A98.5Very high98Very high0 Ų064.8 Ų64.80%034%0.342CS..Hα-helixtrans-64.7-41.8177.800000112.2V66 L69 M70 I75 D77 P78 H83 L84 G85 M104V66-A81 HydrophobicContact CG1-CB 4.24Å; L69-A81 HydrophobicContact CB-CB 4.27Å; M70-A81 HydrophobicContact CG-CB 3.51Å; I75-A81 HydrophobicContact CB-CB 4.49Å; I75-A81 HydrophobicContact CD1-CB 4.21Å; I75-A81 HydrophobicContact CG2-CB 4.09Å; D77-A81 PolarHBondContact O-N 2.88Å; P78-A81 PolarHBondContact O-N 3.22Å; A81-H83 VanDerWaalsContact C-N 3.34Å; A81-L84 PolarHBondContact O-N 3.43Å; A81-G85 PolarHBondContact O-N 3.33Å; A81-M104 WeakPolarHBondContact O-CE 3.43Å
82I98.6Very high98Very high47 Ų4756.8 Ų56.824%0.24131%0.308CS..Hα-helixtrans-62.7-43.1174.6-66.9162.8000110.7V66 P78 V79 S86 D106V66-I82 HydrophobicContact CG1-CG1 4.12Å; V66-I82 HydrophobicContact CG2-CG1 3.87Å; P78-I82 WeakPolarHBondContact O-CD1 3.38Å; P78-I82 VanDerWaalsContact O-CG1 3.22Å; P78-I82 WeakPolarHBondContact O-CG1 3.27Å; P78-I82 PolarHBondContact O-N 3.09Å; V79-I82 PolarHBondContact O-N 3.16Å; I82-S86 VanDerWaalsContact O-CB 3.29Å; I82-S86 WeakPolarHBondContact O-CB 3.21Å; I82-S86 PolarHBondContact O-N 2.91Å; I82-S86 PolarHBondContact O-OG 3.25Å; I82-D106 HydrophobicContact CD1-CB 3.69Å; I82-D106 HydrophobicContact CG1-CB 4Å
83H98.6Very high98.1Very high119 Ų11953.3 Ų53.355%0.55129%0.29SS*.Hα-helixtrans-62.3-49.6177.2-176.866.8000111.4V79 E80 A81 G85 S86 L87V79-H83 WeakPolarHBondContact O-CB 3.33Å; V79-H83 PolarHBondContact O-N 3.15Å; E80-H83 PolarHBondContact O-N 3.1Å; A81-H83 VanDerWaalsContact C-N 3.34Å; H83-G85 PolarHBondContact O-N 3.48Å; H83-S86 WeakPolarHBondContact O-CB 3.36Å; H83-S86 PolarHBondContact O-N 2.97Å; H83-L87 WeakPolarHBondContact O-CG 3.35Å; H83-L87 PolarHBondContact O-N 3.49Å
84L98.6Very high98.2Very high50 Ų5050.2 Ų50.226%0.26227%0.273SS..Hα-helixtrans-58.6-49.6178.4176.359.3000111.6L69 L73 I75 E80 A81 S86 L87 I88L69-L84 HydrophobicContact CD2-CD2 4.21Å; L73-L84 HydrophobicContact CD1-CD2 3.56Å; I75-L84 HydrophobicContact CD1-CD2 3.95Å; E80-L84 WeakPolarHBondContact O-CB 3.43Å; E80-L84 PolarHBondContact O-N 2.71Å; A81-L84 PolarHBondContact O-N 3.43Å; L84-S86 VanDerWaalsContact C-N 3.28Å; L84-S86 PolarHBondContact O-N 3.27Å; L84-L87 WeakPolarHBondContact O-CB 3.38Å; L84-L87 PolarHBondContact O-N 2.84Å; L84-L87 VanDerWaalsContact O-N 3.14Å; L84-I88 HydrophobicContact CD1-CD1 4.4Å; L84-I88 HydrophobicContact CG-CD1 4.21Å; L84-I88 WeakPolarHBondContact O-CG1 3.48Å; L84-I88 PolarHBondContact O-N 3.37Å
85G98.6Very high98.2Very high2 Ų245.1 Ų45.12%0.02124%0.238CC..Hα-helixtrans-70.7-25179.200000113.3A81 H83 I88 A89A81-G85 PolarHBondContact O-N 3.33Å; H83-G85 PolarHBondContact O-N 3.48Å; G85-I88 PolarHBondContact O-N 3.39Å; G85-A89 WeakPolarHBondContact O-CB 3.42Å; G85-A89 PolarHBondContact O-N 3.32Å
86S98.6Very high98.2Very high23 Ų2344.5 Ų44.516%0.16124%0.235CC..Hα-helixtrans-65.8-38.8168-64.80000112I82 H83 L84 A89 A90 M104I82-S86 VanDerWaalsContact O-CB 3.29Å; I82-S86 WeakPolarHBondContact O-CB 3.21Å; I82-S86 PolarHBondContact O-N 2.91Å; I82-S86 PolarHBondContact O-OG 3.25Å; H83-S86 WeakPolarHBondContact O-CB 3.36Å; H83-S86 PolarHBondContact O-N 2.97Å; L84-S86 VanDerWaalsContact C-N 3.28Å; L84-S86 PolarHBondContact O-N 3.27Å; S86-A89 PolarHBondContact O-N 3.08Å; S86-A90 WeakPolarHBondContact O-CB 3.3Å; S86-A90 PolarHBondContact O-N 3.03Å; S86-M104 WeakPolarHBondContact OG-CB 3.5Å; S86-M104 PolarHBondContact OG-N 2.91Å; S86-M104 PolarHBondContact OG-O 3.26Å
87L98.5Very high98.1Very high88 Ų8837.4 Ų37.446%0.46120%0.203SC..Hα-helixtrans-65.4-42.4172.9-68.1175.5000111.7H83 L84 A89 A90 Q91H83-L87 WeakPolarHBondContact O-CG 3.35Å; H83-L87 PolarHBondContact O-N 3.49Å; L84-L87 WeakPolarHBondContact O-CB 3.38Å; L84-L87 PolarHBondContact O-N 2.84Å; L84-L87 VanDerWaalsContact O-N 3.14Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 3.02Å; L87-A90 PolarHBondContact O-N 2.88Å; L87-Q91 VanDerWaalsContact O-CG 3.27Å; L87-Q91 WeakPolarHBondContact O-CG 3.23Å; L87-Q91 PolarHBondContact O-N 3.35Å
88I98.4Very high97.8Very high1 Ų138.4 Ų38.41%0.00522%0.216CC..Hα-helixtrans-59.5-41.3174.2-67.6172.9000110.5I29 I32 I33 L84 G85 Q91 G92 Y93 I94I29-I88 HydrophobicContact CG1-CG1 4.5Å; I29-I88 HydrophobicContact CG2-CB 4.42Å; I29-I88 HydrophobicContact CG2-CG1 3.98Å; I29-I88 HydrophobicContact CG2-CG2 3.98Å; I32-I88 HydrophobicContact CG2-CD1 4.27Å; I33-I88 HydrophobicContact CD1-CG2 3.72Å; I33-I88 HydrophobicContact CG1-CG2 4.39Å; L84-I88 HydrophobicContact CD1-CD1 4.4Å; L84-I88 HydrophobicContact CG-CD1 4.21Å; L84-I88 WeakPolarHBondContact O-CG1 3.48Å; L84-I88 PolarHBondContact O-N 3.37Å; G85-I88 PolarHBondContact O-N 3.39Å; I88-Q91 PolarHBondContact O-N 3.49Å; I88-G92 PolarHBondContact O-N 3.35Å; I88-Y93 PolarHBondContact O-N 3.45Å; I88-I94 HydrophobicContact CG2-CD1 4.11Å; I88-I94 HydrophobicContact CG2-CG1 4.19Å
89A98.4Very high97.7Very high1 Ų138.5 Ų38.51%0.00821%0.214CC..Hα-helixtrans-67.4-44.4177.200000112.5G85 S86 L87 Q91 G92 I94G85-A89 WeakPolarHBondContact O-CB 3.42Å; G85-A89 PolarHBondContact O-N 3.32Å; S86-A89 PolarHBondContact O-N 3.08Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 3.02Å; A89-Q91 PolarHBondContact O-N 3.39Å; A89-G92 WeakPolarHBondContact O-CA 3.5Å; A89-G92 PolarHBondContact O-N 2.98Å; A89-I94 WeakPolarHBondContact CA-O 3.48Å; A89-I94 WeakPolarHBondContact CB-O 3.43Å
90A98Very high97.6Very high25 Ų2535.7 Ų35.721%0.20719%0.194CC..Hα-helixtrans-64.1-24.1177.400000113.4S86 L87 G92 L102 T212S86-A90 WeakPolarHBondContact O-CB 3.3Å; S86-A90 PolarHBondContact O-N 3.03Å; L87-A90 PolarHBondContact O-N 2.88Å; A90-G92 VanDerWaalsContact C-N 3.27Å; A90-L102 PolarHBondContact N-O 2.87Å; A90-T212 HydrophobicContact CB-CG2 3.87Å; A90-T212 WeakPolarHBondContact O-CG2 3.43Å; A90-T212 PolarHBondContact O-OG1 3.15Å
91Q97Very high97.6Very high39 Ų3932.4 Ų32.418%0.18218%0.181CC..THydrogen-bonded Turntrans-82.7-1.7170.1-65.3-67.4-18.300112.8I29 L87 I88 A89 Y93 P120I29-Q91 HydrophobicContact CD1-CG 4.23Å; L87-Q91 VanDerWaalsContact O-CG 3.27Å; L87-Q91 WeakPolarHBondContact O-CG 3.23Å; L87-Q91 PolarHBondContact O-N 3.35Å; I88-Q91 PolarHBondContact O-N 3.49Å; A89-Q91 PolarHBondContact O-N 3.39Å; Q91-Y93 HydrophobicContact CB-CD2 3.78Å; Q91-Y93 HydrophobicContact CB-CE2 3.89Å; Q91-P120 WeakPolarHBondContact O-CG 3.47Å
92G97.7Very high97.6Very high3 Ų333.1 Ų33.13%0.03119%0.185CC..THydrogen-bonded Turntrans8510.8172.400000115.9I88 A89 A90 Q114 V202I88-G92 PolarHBondContact O-N 3.35Å; A89-G92 WeakPolarHBondContact O-CA 3.5Å; A89-G92 PolarHBondContact O-N 2.98Å; A90-G92 VanDerWaalsContact C-N 3.27Å; G92-Q114 WeakPolarHBondContact O-CB 3.26Å; G92-Q114 WeakPolarHBondContact O-CG 3.24Å; G92-V202 VanDerWaalsContact CA-CG2 3.45Å
93Y98.6Very high97.5Very high0 Ų033.5 Ų33.50%019%0.19CC..SBendtrans-79.7-29178.9-69.7-80.5000113.2Y26 I29 E30 I33 I88 Q91 Q114 W119 P120Y26-Y93 WeakPolarHBondContact CB-OH 3.42Å; I29-Y93 HydrophobicContact CB-CD2 4.3Å; I29-Y93 HydrophobicContact CB-CE2 4Å; I29-Y93 HydrophobicContact CD1-CE2 4.17Å; I29-Y93 HydrophobicContact CG2-CD1 4.33Å; I29-Y93 HydrophobicContact CG2-CD2 3.34Å; I29-Y93 HydrophobicContact CG2-CE2 3.54Å; I29-Y93 HydrophobicContact CG2-CG 3.75Å; E30-Y93 HydrophobicContact CG-CD1 4.21Å; E30-Y93 HydrophobicContact CG-CE1 3.3Å; E30-Y93 WeakPolarHBondContact OE1-CE1 3.42Å; E30-Y93 PolarHBondContact OE1-OH 3.27Å; I33-Y93 HydrophobicContact CG1-CD1 4.2Å; I33-Y93 HydrophobicContact CG1-CG 4.16Å; I88-Y93 PolarHBondContact O-N 3.45Å; Q91-Y93 HydrophobicContact CB-CD2 3.78Å; Q91-Y93 HydrophobicContact CB-CE2 3.89Å; Y93-Q114 WeakPolarHBondContact O-CB 3.26Å; Y93-Q114 PolarHBondContact O-N 3.07Å; Y93-W119 AromaticContact CD1-CD1 3.69Å; Y93-W119 AromaticContact CD1-CD2 3.94Å; Y93-W119 HydrophobicContact CD1-CD2 3.94Å; Y93-W119 AromaticContact CD1-CE2 3.84Å; Y93-W119 AromaticContact CD1-CG 3.85Å; Y93-W119 HydrophobicContact CD1-CG 3.85Å; Y93-W119 AromaticContact CD1-NE1 3.71Å; Y93-W119 HydrophobicContact CE1-CB 3.87Å; Y93-W119 AromaticContact CE1-CD1 3.86Å; Y93-W119 AromaticContact CE1-CD2 3.64Å; Y93-W119 HydrophobicContact CE1-CD2 3.64Å; Y93-W119 HydrophobicContact CE1-CE3 4.15Å; Y93-W119 AromaticContact CE1-CG 3.52Å; Y93-W119 HydrophobicContact CE1-CG 3.52Å; Y93-P120 HydrophobicContact CE2-CG 4.16Å
94I98.3Very high97.5Very high2 Ų228.3 Ų28.31%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-135.6142175.9-56.7177.2000107.3I33 M36 I65 I88 A89 Y111 R112 F113I33-I94 HydrophobicContact CD1-CD1 3.63Å; I33-I94 HydrophobicContact CD1-CG1 3.58Å; M36-I94 HydrophobicContact SD-CD1 3.92Å; I65-I94 HydrophobicContact CD1-CD1 4.4Å; I65-I94 HydrophobicContact CD1-CG2 4.02Å; I65-I94 HydrophobicContact CG2-CD1 4.48Å; I88-I94 HydrophobicContact CG2-CD1 4.11Å; I88-I94 HydrophobicContact CG2-CG1 4.19Å; A89-I94 WeakPolarHBondContact CA-O 3.48Å; A89-I94 WeakPolarHBondContact CB-O 3.43Å; I94-Y111 HydrophobicContact CG2-CD1 3.94Å; I94-Y111 HydrophobicContact CG2-CG 4.15Å; I94-R112 CarbonylContact C-O 3.57Å; I94-R112 VanDerWaalsContact CA-O 3.29Å; I94-R112 WeakPolarHBondContact CA-O 3.45Å; I94-F113 HydrophobicContact CD1-CD1 4.09Å; I94-F113 HydrophobicContact CD1-CE1 3.69Å; I94-F113 HydrophobicContact CG1-CD1 3.75Å; I94-F113 HydrophobicContact CG1-CE1 3.9Å
95F98.6Very high97.4Very high0 Ų030.1 Ų30.10%017%0.171CC..EExtended strand (participates in β ladder)trans-143.7144.1-179.257.5-89.8000112.7L102 Y111 R112 Q114 S194 Q195 A198F95-L102 HydrophobicContact CB-CD2 3.71Å; F95-Y111 CarbonylContact O-C 3.44Å; F95-Y111 VanDerWaalsContact O-CA 3.27Å; F95-Y111 WeakPolarHBondContact O-CA 3.3Å; F95-R112 WeakPolarHBondContact CD1-O 3.29Å; F95-R112 HydrophobicContact CD2-CB 4.37Å; F95-R112 HydrophobicContact CE1-CB 3.96Å; F95-R112 HydrophobicContact CE2-CB 3.79Å; 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 2.81Å; F95-R112 PolarHBondContact O-N 3.35Å; F95-Q114 HydrophobicContact CD1-CB 4.28Å; F95-Q114 HydrophobicContact CE1-CB 4.14Å; F95-S194 WeakPolarHBondContact CE2-O 3.14Å; F95-Q195 HydrophobicContact CE1-CG 4.15Å; F95-Q195 HydrophobicContact CZ-CB 4.42Å; F95-Q195 HydrophobicContact CZ-CG 3.8Å; F95-A198 HydrophobicContact CB-CB 3.63Å; F95-A198 HydrophobicContact CD1-CB 3.37Å; F95-A198 HydrophobicContact CD2-CB 3.57Å; F95-A198 HydrophobicContact CE1-CB 3.81Å; F95-A198 HydrophobicContact CE2-CB 3.98Å; F95-A198 HydrophobicContact CG-CB 3.23Å; F95-A198 HydrophobicContact CZ-CB 4.09Å
96P97.9Very high97.4Very high3 Ų333.1 Ų33.12%0.01919%0.187CC..EExtended strand (participates in β ladder)trans-67.9136.7173.727.3-31.3000109.7S98 D99 V101 T109 Y111 R197P96-S98 VanDerWaalsContact C-N 3.29Å; P96-S98 PolarHBondContact O-N 3.35Å; P96-D99 HydrophobicContact CB-CB 4.21Å; P96-D99 HydrophobicContact CG-CB 4.02Å; P96-V101 WeakPolarHBondContact CG-O 3.12Å; P96-T109 HydrophobicContact CB-CG2 4.43Å; P96-Y111 HydrophobicContact CB-CD1 4.1Å; P96-Y111 HydrophobicContact CB-CE1 3.74Å; P96-Y111 HydrophobicContact CG-CE1 4.19Å; P96-R197 PolarHBondContact O-NH2 3.36Å
97I95.3Very high97.3Very high36 Ų3635.2 Ų35.219%0.18520%0.197CC..THydrogen-bonded Turntrans-75.3-21.3-174.667175.6000113.5I56 V59 F110 R112 R197I56-I97 HydrophobicContact CD1-CD1 4.16Å; I56-I97 HydrophobicContact CG2-CD1 3.67Å; V59-I97 HydrophobicContact CG1-CD1 4.11Å; V59-I97 HydrophobicContact CG1-CG2 4.16Å; I97-F110 HydrophobicContact CD1-CB 3.52Å; I97-F110 HydrophobicContact CD1-CD2 4.25Å; I97-F110 HydrophobicContact CD1-CG 4.28Å; I97-F110 HydrophobicContact CG1-CB 3.87Å; I97-F110 PolarHBondContact N-O 3.48Å; I97-R112 HydrophobicContact CG2-CB 4.32Å; I97-R112 HydrophobicContact CG2-CG 3.55Å; I97-R197 VanDerWaalsContact C-NH2 3.32Å; I97-R197 PolarHBondContact O-NH2 3.22Å; I97-R197 VanDerWaalsContact O-NH2 3.07Å
98S91.6Very high97.2Very high103 Ų10333.7 Ų33.772%0.7220%0.202SC*.THydrogen-bonded Turntrans-114.83.2-170540000114.3P96P96-S98 VanDerWaalsContact C-N 3.29Å; P96-S98 PolarHBondContact O-N 3.35Å
99D94.8Very high97.2Very high58 Ų5835.1 Ų35.131%0.3121%0.21SC..  trans-137.3147.2-176.1-158.1-23.8000110P96 V101 R197P96-D99 HydrophobicContact CB-CB 4.21Å; P96-D99 HydrophobicContact CG-CB 4.02Å; D99-V101 PolarHBondContact OD1-N 2.91Å; D99-R197 PolarHBondContact O-NH1 3.37Å; D99-R197 PolarHBondContact O-NH2 3.27Å
100H96.9Very high97.2Very high38 Ų3837.9 Ų37.918%0.17622%0.222CC..SBendtrans-85.1-19.6172.8-76.9-86000111.9L102 Y151 E152 D201 V206H100-L102 PolarHBondContact O-N 3.02Å; H100-Y151 PolarHBondContact ND1-OH 3.13Å; H100-E152 IonicContact CE1-OE1 3.5Å; H100-E152 IonicContact CE1-OE2 2.71Å; H100-E152 IonicContact NE2-OE2 2.68Å; H100-D201 IonicContact CE1-OD1 2.64Å; H100-D201 IonicContact CG-OD1 3.3Å; H100-D201 IonicContact ND1-OD1 2.82Å; H100-D201 PolarHBondContact ND1-OD1 3.05Å; H100-D201 IonicContact ND1-OD2 3.19Å; H100-V206 HydrophobicContact CB-CG2 3.56Å
101V97.9Very high97.2Very high43 Ų4336.8 Ų36.826%0.26121%0.213SC..SBendtrans-80.2112.2177-179.50000110P96 D99 T103 V206P96-V101 WeakPolarHBondContact CG-O 3.12Å; D99-V101 PolarHBondContact OD1-N 2.91Å; V101-T103 VanDerWaalsContact C-N 3.31Å; V101-T103 HydrophobicContact CG1-CG2 3.76Å; V101-T103 PolarHBondContact O-N 2.97Å; V101-V206 HydrophobicContact CG2-CB 4.42Å; V101-V206 HydrophobicContact CG2-CG1 4.5Å; V101-V206 HydrophobicContact CG2-CG2 4.17Å
102L98.2Very high97.2Very high14 Ų1435.7 Ų35.77%0.07321%0.207CC..  trans-78.275.3-177-59.8-177.5000112A90 F95 H100 D201 V202A90-L102 PolarHBondContact N-O 2.87Å; F95-L102 HydrophobicContact CB-CD2 3.71Å; H100-L102 PolarHBondContact O-N 3.02Å; L102-D201 HydrophobicContact CD1-CB 3.88Å; L102-D201 HydrophobicContact CD2-CB 4.01Å; L102-D201 HydrophobicContact CG-CB 3.9Å; L102-V202 HydrophobicContact CD1-CB 4.45Å; L102-V202 HydrophobicContact CD1-CG2 3.47Å; L102-V202 VanDerWaalsContact CD1-CG2 3.47Å
103T97.8Very high97.3Very high55 Ų5536.5 Ų36.534%0.33721%0.21SC..  trans-131.8154.5177.9580000111.7V101 Y111V101-T103 VanDerWaalsContact C-N 3.31Å; V101-T103 HydrophobicContact CG1-CG2 3.76Å; V101-T103 PolarHBondContact O-N 2.97Å; T103-Y111 VanDerWaalsContact O-CE1 3.27Å; T103-Y111 WeakPolarHBondContact O-CE1 3.37Å; T103-Y111 PolarHBondContact O-OH 3.15Å
104M97.8Very high97.3Very high10 Ų1036.7 Ų36.75%0.04921%0.211CC..  trans-98.1138.5177.4-162.916765.400111.3I65 V66 L69 A81 S86 Y111I65-M104 HydrophobicContact CB-SD 4.05Å; I65-M104 HydrophobicContact CG2-SD 3.54Å; I65-M104 VanDerWaalsContact CG2-SD 3.54Å; V66-M104 HydrophobicContact CG2-CE 3.56Å; V66-M104 HydrophobicContact CG2-CG 4.48Å; V66-M104 HydrophobicContact CG2-SD 4.15Å; L69-M104 HydrophobicContact CD1-CE 3.97Å; A81-M104 WeakPolarHBondContact O-CE 3.43Å; S86-M104 WeakPolarHBondContact OG-CB 3.5Å; S86-M104 PolarHBondContact OG-N 2.91Å; S86-M104 PolarHBondContact OG-O 3.26Å; M104-Y111 VanDerWaalsContact CA-OH 3.29Å; M104-Y111 WeakPolarHBondContact CA-OH 3.33Å
105K97.6Very high97.2Very high88 Ų8837.7 Ų37.738%0.38322%0.22SC..  trans-120.8136.1175.1-62.3178.4-177.3172.60108.6G62 D107 Y111G62-K105 CarbonylContact C-O 3.29Å; G62-K105 VanDerWaalsContact CA-O 3.23Å; G62-K105 WeakPolarHBondContact CA-O 3.17Å; K105-D107 PolarHBondContact O-N 2.65Å; K105-Y111 PolarHBondContact N-OH 3.37Å
106D97.6Very high97.1Very high66 Ų6641.6 Ų41.635%0.35325%0.245SC..SBendtrans-83.568.7172.6-173.513.6000110.3T63 V66 I82T63-D106 VanDerWaalsContact CA-OD1 3.23Å; T63-D106 WeakPolarHBondContact CA-OD1 3.45Å; T63-D106 WeakPolarHBondContact CB-OD1 3.4Å; T63-D106 PolarHBondContact OG1-OD1 2.68Å; V66-D106 HydrophobicContact CG1-CB 4.48Å; V66-D106 HydrophobicContact CG2-CB 4.08Å; I82-D106 HydrophobicContact CD1-CB 3.69Å; I82-D106 HydrophobicContact CG1-CB 4Å
107D97.4Very high97.1Very high67 Ų6748.5 Ų48.536%0.35827%0.272SS..SBendtrans-151.5-168.5177.564.720.1000111.2G62 T63 K105 T109G62-D107 PolarHBondContact N-O 3.16Å; T63-D107 PolarHBondContact N-O 3.01Å; T63-D107 VanDerWaalsContact N-O 3.09Å; T63-D107 WeakPolarHBondContact OG1-CA 3.45Å; T63-D107 PolarHBondContact OG1-N 2.71Å; T63-D107 PolarHBondContact OG1-O 3.18Å; K105-D107 PolarHBondContact O-N 2.65Å; D107-T109 PolarHBondContact O-N 2.8Å; D107-T109 VanDerWaalsContact O-N 3.13Å; D107-T109 WeakPolarHBondContact OD1-CA 3.24Å; D107-T109 WeakPolarHBondContact OD1-CB 3.49Å; D107-T109 PolarHBondContact OD1-N 3.32Å; D107-T109 PolarHBondContact OD1-OG1 3.11Å; D107-T109 PolarHBondContact OD2-OG1 3.41Å
108G96.6Very high97.2Very high55 Ų5548.6 Ų48.657%0.56727%0.271SS*.SBendtrans-71.6817700000115.5F110G108-F110 PolarHBondContact O-N 3.01Å
109T97.5Very high97.4Very high31 Ų3145 Ų4519%0.1924%0.241CC..  trans-58.8136.1176.4-63.40000110.2T61 G62 P96 D107 Y111T61-T109 CarbonylContact C-O 3.56Å; T61-T109 WeakPolarHBondContact CA-O 3.38Å; G62-T109 PolarHBondContact N-O 3.45Å; P96-T109 HydrophobicContact CB-CG2 4.43Å; D107-T109 PolarHBondContact O-N 2.8Å; D107-T109 VanDerWaalsContact O-N 3.13Å; D107-T109 WeakPolarHBondContact OD1-CA 3.24Å; D107-T109 WeakPolarHBondContact OD1-CB 3.49Å; D107-T109 PolarHBondContact OD1-N 3.32Å; D107-T109 PolarHBondContact OD1-OG1 3.11Å; D107-T109 PolarHBondContact OD2-OG1 3.41Å; T109-Y111 HydrophobicContact CG2-CD2 4.37Å; T109-Y111 HydrophobicContact CG2-CE2 3.66Å; T109-Y111 WeakPolarHBondContact O-CD2 3.48Å
110F97.8Very high97.2Very high59 Ų5943 Ų4326%0.25923%0.231SC..EExtended strand (participates in β ladder)trans-91.1131-178.3-65.3-54.9000112.4V49 V59 V60 T61 I97 G108V49-F110 HydrophobicContact CB-CZ 4.3Å; V49-F110 HydrophobicContact CG1-CE2 4.44Å; V49-F110 HydrophobicContact CG1-CZ 4.01Å; V49-F110 HydrophobicContact CG2-CE1 3.74Å; V49-F110 HydrophobicContact CG2-CZ 3.8Å; V59-F110 HydrophobicContact CB-CB 4.15Å; V59-F110 HydrophobicContact CB-CD1 4.17Å; V59-F110 HydrophobicContact CB-CG 4.37Å; V59-F110 HydrophobicContact CG1-CB 4.2Å; V59-F110 HydrophobicContact CG2-CD1 3.85Å; V59-F110 HydrophobicContact CG2-CE1 4.34Å; V59-F110 HydrophobicContact CG2-CG 4.25Å; V60-F110 WeakPolarHBondContact O-CA 3.37Å; T61-F110 HydrophobicContact CG2-CD1 4.2Å; T61-F110 HydrophobicContact CG2-CE1 3.97Å; I97-F110 HydrophobicContact CD1-CB 3.52Å; I97-F110 HydrophobicContact CD1-CD2 4.25Å; I97-F110 HydrophobicContact CD1-CG 4.28Å; I97-F110 HydrophobicContact CG1-CB 3.87Å; I97-F110 PolarHBondContact N-O 3.48Å; G108-F110 PolarHBondContact O-N 3.01Å
111Y98.4Very high96.9Very high2 Ų242 Ų421%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-118.1161.4177.1-66-94.2000111.6V59 V60 I65 I94 F95 P96 T103 M104 K105 T109V59-Y111 VanDerWaalsContact CA-O 3.3Å; V59-Y111 WeakPolarHBondContact CA-O 3.46Å; V60-Y111 PolarHBondContact N-O 3.42Å; V60-Y111 PolarHBondContact O-N 3.19Å; I65-Y111 HydrophobicContact CD1-CD2 4.19Å; I65-Y111 HydrophobicContact CD1-CG 4.07Å; I94-Y111 HydrophobicContact CG2-CD1 3.94Å; I94-Y111 HydrophobicContact CG2-CG 4.15Å; F95-Y111 CarbonylContact O-C 3.44Å; F95-Y111 VanDerWaalsContact O-CA 3.27Å; F95-Y111 WeakPolarHBondContact O-CA 3.3Å; P96-Y111 HydrophobicContact CB-CD1 4.1Å; P96-Y111 HydrophobicContact CB-CE1 3.74Å; P96-Y111 HydrophobicContact CG-CE1 4.19Å; T103-Y111 VanDerWaalsContact O-CE1 3.27Å; T103-Y111 WeakPolarHBondContact O-CE1 3.37Å; T103-Y111 PolarHBondContact O-OH 3.15Å; M104-Y111 VanDerWaalsContact CA-OH 3.29Å; M104-Y111 WeakPolarHBondContact CA-OH 3.33Å; K105-Y111 PolarHBondContact N-OH 3.37Å; T109-Y111 HydrophobicContact CG2-CD2 4.37Å; T109-Y111 HydrophobicContact CG2-CE2 3.66Å; T109-Y111 WeakPolarHBondContact O-CD2 3.48Å
112R98.1Very high96.5Very high16 Ų1644.1 Ų44.16%0.0624%0.239CC..EExtended strand (participates in β ladder)trans-129.4147.1171.1-76.6175-168.4-76.1-10.5110.3P57 S58 V59 I94 F95 I97 S194P57-R112 PolarHBondContact O-NH1 3.16Å; P57-R112 PolarHBondContact O-NH2 3.45Å; S58-R112 WeakPolarHBondContact O-CG 3.37Å; S58-R112 PolarHBondContact O-NH1 2.87Å; V59-R112 HydrophobicContact CG1-CG 4.22Å; I94-R112 CarbonylContact C-O 3.57Å; I94-R112 VanDerWaalsContact CA-O 3.29Å; I94-R112 WeakPolarHBondContact CA-O 3.45Å; F95-R112 WeakPolarHBondContact CD1-O 3.29Å; F95-R112 HydrophobicContact CD2-CB 4.37Å; F95-R112 HydrophobicContact CE1-CB 3.96Å; F95-R112 HydrophobicContact CE2-CB 3.79Å; 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 2.81Å; F95-R112 PolarHBondContact O-N 3.35Å; I97-R112 HydrophobicContact CG2-CB 4.32Å; I97-R112 HydrophobicContact CG2-CG 3.55Å; R112-S194 WeakPolarHBondContact CD-OG 3.47Å
113F98.4Very high95.7Very high20 Ų2046.9 Ų46.99%0.08826%0.259CS..EExtended strand (participates in β ladder)trans-73.6139.4164.6-63.8-72.6000110.7I33 M36 Q37 V44 I46 V60 I94I33-F113 HydrophobicContact CD1-CD1 4.29Å; I33-F113 HydrophobicContact CD1-CE1 4.3Å; I33-F113 HydrophobicContact CG2-CD1 4.33Å; M36-F113 HydrophobicContact CB-CE1 3.96Å; 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 3.61Å; Q37-F113 HydrophobicContact CG-CE1 4.04Å; Q37-F113 HydrophobicContact CG-CE2 3.66Å; Q37-F113 HydrophobicContact CG-CG 3.79Å; Q37-F113 HydrophobicContact CG-CZ 3.89Å; V44-F113 HydrophobicContact CB-CZ 4.48Å; I46-F113 HydrophobicContact CD1-CD2 4.08Å; I46-F113 HydrophobicContact CD1-CE2 4Å; I46-F113 HydrophobicContact CG1-CE2 4.13Å; V60-F113 HydrophobicContact CG1-CE2 3.95Å; V60-F113 HydrophobicContact CG2-CE2 4.44Å; I94-F113 HydrophobicContact CD1-CD1 4.09Å; I94-F113 HydrophobicContact CD1-CE1 3.69Å; I94-F113 HydrophobicContact CG1-CD1 3.75Å; I94-F113 HydrophobicContact CG1-CE1 3.9Å
114Q98.4Very high95.2Very high4 Ų448 Ų482%0.01926%0.257CS..PPolyproline II helixtrans-78.4145.2174.9-177.560.6-79.100111.4G92 Y93 F95 F118 W119 Q195G92-Q114 WeakPolarHBondContact O-CB 3.26Å; G92-Q114 WeakPolarHBondContact O-CG 3.24Å; Y93-Q114 WeakPolarHBondContact O-CB 3.26Å; Y93-Q114 PolarHBondContact O-N 3.07Å; F95-Q114 HydrophobicContact CD1-CB 4.28Å; F95-Q114 HydrophobicContact CE1-CB 4.14Å; Q114-F118 HydrophobicContact CG-CB 3.72Å; Q114-W119 PolarHBondContact O-NE1 3.07Å; Q114-Q195 PolarHBondContact NE2-O 3.34Å; Q114-Q195 VanDerWaalsContact OE1-CB 3.27Å
115A97.3Very high94.7Very high24 Ų2456.2 Ų56.220%0.19830%0.295CS..PPolyproline II helixtrans-65.8138.1174.400000110.5Y117 F118A115-Y117 PolarHBondContact O-N 2.67Å; A115-F118 HydrophobicContact CB-CD2 4.26Å; A115-F118 PolarHBondContact O-N 2.76Å
116P97.1Very high94.4Very high82 Ų8252.9 Ų52.953%0.53228%0.282SS..G310 helixtrans-54.3-26.8179.7-29.335.5000115.3F118 W119 N122P116-F118 VanDerWaalsContact C-N 3.26Å; P116-F118 PolarHBondContact O-N 3.37Å; P116-W119 HydrophobicContact CB-CD2 4.03Å; P116-W119 HydrophobicContact CB-CE3 4.14Å; P116-W119 HydrophobicContact CB-CH2 4.44Å; P116-W119 HydrophobicContact CB-CZ2 4.29Å; P116-W119 HydrophobicContact CB-CZ3 4.35Å; P116-W119 HydrophobicContact CG-CH2 4.2Å; P116-W119 HydrophobicContact CG-CZ2 3.91Å; P116-W119 WeakPolarHBondContact O-CB 3.37Å; P116-W119 PolarHBondContact O-N 3.39Å; P116-N122 PolarHBondContact O-ND2 3.46Å
117Y96Very high94.3Very high148 Ų14855.6 Ų55.658%0.5829%0.293SS*.G310 helixtrans-56.5-39.2172.7175.4-105.5000112.7A115 W119 N122 W124A115-Y117 PolarHBondContact O-N 2.67Å; Y117-W119 VanDerWaalsContact C-N 3.33Å; Y117-N122 PolarHBondContact O-ND2 3.01Å; Y117-W124 HydrophobicContact CD1-CZ2 4.23Å; Y117-W124 HydrophobicContact CD2-CZ2 4.14Å; Y117-W124 AromaticContact CE1-CH2 3.99Å; Y117-W124 HydrophobicContact CE1-CH2 3.99Å; Y117-W124 AromaticContact CE1-CZ2 3.83Å; Y117-W124 HydrophobicContact CE1-CZ2 3.83Å; Y117-W124 AromaticContact CE2-CH2 3.83Å; Y117-W124 HydrophobicContact CE2-CH2 3.83Å; Y117-W124 AromaticContact CE2-CZ2 3.73Å; Y117-W124 HydrophobicContact CE2-CZ2 3.73Å; Y117-W124 HydrophobicContact CG-CZ2 4.39Å; Y117-W124 AromaticContact CZ-CH2 3.45Å; Y117-W124 VanDerWaalsContact CZ-CH2 3.45Å; Y117-W124 AromaticContact CZ-CZ2 3.58Å; Y117-W124 VanDerWaalsContact O-CZ2 3.3Å; Y117-W124 WeakPolarHBondContact O-CZ2 3.47Å; Y117-W124 PolarHBondContact O-NE1 2.93Å; Y117-W124 WeakPolarHBondContact OH-CH2 3.27Å
118F97.3Very high94.3Very high38 Ų3856.1 Ų56.117%0.16730%0.296CS..G310 helixtrans-907.8-178.8-66.4-57.4000113.5Q114 A115 P116 Q195 E196 F199Q114-F118 HydrophobicContact CG-CB 3.72Å; A115-F118 HydrophobicContact CB-CD2 4.26Å; A115-F118 PolarHBondContact O-N 2.76Å; P116-F118 VanDerWaalsContact C-N 3.26Å; P116-F118 PolarHBondContact O-N 3.37Å; F118-Q195 HydrophobicContact CD2-CB 4.29Å; F118-Q195 HydrophobicContact CE2-CB 4.17Å; F118-E196 HydrophobicContact CZ-CB 4.49Å; F118-F199 HydrophobicContact CB-CB 4.34Å; F118-F199 HydrophobicContact CB-CD2 4.08Å; F118-F199 HydrophobicContact CD1-CB 3.84Å; F118-F199 HydrophobicContact CD1-CD1 4.45Å; F118-F199 AromaticContact CD1-CD2 3.54Å; F118-F199 HydrophobicContact CD1-CD2 3.54Å; F118-F199 HydrophobicContact CD1-CE2 4.19Å; F118-F199 AromaticContact CD1-CG 3.68Å; F118-F199 HydrophobicContact CD1-CG 3.68Å; F118-F199 HydrophobicContact CE1-CB 4.29Å; F118-F199 HydrophobicContact CE1-CD2 4.37Å; F118-F199 HydrophobicContact CE1-CG 4.15Å; F118-F199 HydrophobicContact CG-CB 4.09Å; F118-F199 HydrophobicContact CG-CD2 4.18Å; F118-F199 HydrophobicContact CG-CG 4.35Å
119W95.8Very high94.3Very high27 Ų2755.7 Ų55.710%0.10228%0.282CS..  trans-69142.4179.3-70.8-1.8000112E30 I33 Y93 Q114 P116 Y117 S121 N122E30-W119 HydrophobicContact CB-CE3 4.31Å; E30-W119 HydrophobicContact CB-CH2 4.32Å; E30-W119 HydrophobicContact CB-CZ3 3.82Å; E30-W119 HydrophobicContact CG-CD2 4.11Å; E30-W119 HydrophobicContact CG-CE3 3.45Å; E30-W119 VanDerWaalsContact CG-CE3 3.45Å; E30-W119 HydrophobicContact CG-CH2 4.15Å; E30-W119 HydrophobicContact CG-CZ3 3.46Å; E30-W119 VanDerWaalsContact CG-CZ3 3.46Å; I33-W119 HydrophobicContact CG2-CH2 4.35Å; I33-W119 HydrophobicContact CG2-CZ2 3.79Å; Y93-W119 AromaticContact CD1-CD1 3.69Å; Y93-W119 AromaticContact CD1-CD2 3.94Å; Y93-W119 HydrophobicContact CD1-CD2 3.94Å; Y93-W119 AromaticContact CD1-CE2 3.84Å; Y93-W119 AromaticContact CD1-CG 3.85Å; Y93-W119 HydrophobicContact CD1-CG 3.85Å; Y93-W119 AromaticContact CD1-NE1 3.71Å; Y93-W119 HydrophobicContact CE1-CB 3.87Å; Y93-W119 AromaticContact CE1-CD1 3.86Å; Y93-W119 AromaticContact CE1-CD2 3.64Å; Y93-W119 HydrophobicContact CE1-CD2 3.64Å; Y93-W119 HydrophobicContact CE1-CE3 4.15Å; Y93-W119 AromaticContact CE1-CG 3.52Å; Y93-W119 HydrophobicContact CE1-CG 3.52Å; Q114-W119 PolarHBondContact O-NE1 3.07Å; P116-W119 HydrophobicContact CB-CD2 4.03Å; P116-W119 HydrophobicContact CB-CE3 4.14Å; P116-W119 HydrophobicContact CB-CH2 4.44Å; P116-W119 HydrophobicContact CB-CZ2 4.29Å; P116-W119 HydrophobicContact CB-CZ3 4.35Å; P116-W119 HydrophobicContact CG-CH2 4.2Å; P116-W119 HydrophobicContact CG-CZ2 3.91Å; P116-W119 WeakPolarHBondContact O-CB 3.37Å; P116-W119 PolarHBondContact O-N 3.39Å; Y117-W119 VanDerWaalsContact C-N 3.33Å; W119-S121 PolarHBondContact O-N 2.96Å; W119-N122 WeakPolarHBondContact O-CB 3.29Å; W119-N122 PolarHBondContact O-N 3.24Å; W119-N122 VanDerWaalsContact O-N 3.09Å
120P91.7Very high94.3Very high15 Ų1557.8 Ų57.810%0.09729%0.292CS..G310 helixtrans-59.1-24.4178.7-24.931.9000115.3Y26 Q91 Y93 N122 C123Y26-P120 HydrophobicContact CD1-CB 4.16Å; Y26-P120 HydrophobicContact CD2-CB 4.45Å; Y26-P120 HydrophobicContact CE1-CB 3.89Å; Y26-P120 HydrophobicContact CE2-CB 4.17Å; Y26-P120 HydrophobicContact CG-CB 4.46Å; Q91-P120 WeakPolarHBondContact O-CG 3.47Å; Y93-P120 HydrophobicContact CE2-CG 4.16Å; P120-N122 PolarHBondContact O-N 3.4Å; P120-C123 PolarHBondContact O-N 3.05Å
121S90.6Very high94.3Very high19 Ų1955.1 Ų55.113%0.13328%0.281CS..G310 helixtrans-62.4-19.4175.151.30000113.6M23 E30 W119 C123M23-S121 WeakPolarHBondContact CE-O 3.17Å; E30-S121 WeakPolarHBondContact OE1-CB 3.44Å; E30-S121 PolarHBondContact OE1-OG 2.94Å; W119-S121 PolarHBondContact O-N 2.96Å; S121-C123 PolarHBondContact O-N 2.92Å
122N88.4Confident94.3Very high86 Ų8655 Ų5546%0.4628%0.28SS..G310 helixtrans-74.63.7170.3-63-38000113P116 Y117 W119 P120 W124P116-N122 PolarHBondContact O-ND2 3.46Å; Y117-N122 PolarHBondContact O-ND2 3.01Å; W119-N122 WeakPolarHBondContact O-CB 3.29Å; W119-N122 PolarHBondContact O-N 3.24Å; W119-N122 VanDerWaalsContact O-N 3.09Å; P120-N122 PolarHBondContact O-N 3.4Å; N122-W124 PolarHBondContact O-N 2.94Å
123C83.1Confident94.3Very high73 Ų7354.7 Ų54.749%0.49328%0.28SS..  trans54.947175-64.20000113.1P120 S121 E125P120-C123 PolarHBondContact O-N 3.05Å; S121-C123 PolarHBondContact O-N 2.92Å; C123-E125 PolarHBondContact O-N 2.99Å
124W86.3Confident94.3Very high78 Ų7854 Ų5430%0.29528%0.276SS..  trans-61.7126.2179.3-73.7108.7000112.8Y117 N122 P126 F199 H203Y117-W124 HydrophobicContact CD1-CZ2 4.23Å; Y117-W124 HydrophobicContact CD2-CZ2 4.14Å; Y117-W124 AromaticContact CE1-CH2 3.99Å; Y117-W124 HydrophobicContact CE1-CH2 3.99Å; Y117-W124 AromaticContact CE1-CZ2 3.83Å; Y117-W124 HydrophobicContact CE1-CZ2 3.83Å; Y117-W124 AromaticContact CE2-CH2 3.83Å; Y117-W124 HydrophobicContact CE2-CH2 3.83Å; Y117-W124 AromaticContact CE2-CZ2 3.73Å; Y117-W124 HydrophobicContact CE2-CZ2 3.73Å; Y117-W124 HydrophobicContact CG-CZ2 4.39Å; Y117-W124 AromaticContact CZ-CH2 3.45Å; Y117-W124 VanDerWaalsContact CZ-CH2 3.45Å; Y117-W124 AromaticContact CZ-CZ2 3.58Å; Y117-W124 VanDerWaalsContact O-CZ2 3.3Å; Y117-W124 WeakPolarHBondContact O-CZ2 3.47Å; Y117-W124 PolarHBondContact O-NE1 2.93Å; Y117-W124 WeakPolarHBondContact OH-CH2 3.27Å; N122-W124 PolarHBondContact O-N 2.94Å; W124-P126 VanDerWaalsContact C-CD 3.48Å; W124-F199 HydrophobicContact CB-CE2 4Å; W124-F199 HydrophobicContact CB-CZ 4.32Å; W124-F199 AromaticContact CD1-CE2 3.9Å; W124-F199 AromaticContact CD2-CE2 3.89Å; W124-F199 HydrophobicContact CD2-CE2 3.89Å; W124-F199 HydrophobicContact CD2-CZ 4.17Å; W124-F199 HydrophobicContact CE3-CE2 4.44Å; W124-F199 HydrophobicContact CE3-CZ 4.27Å; W124-F199 AromaticContact CG-CE2 3.67Å; W124-F199 HydrophobicContact CG-CE2 3.67Å; W124-F199 HydrophobicContact CG-CZ 4.21Å; W124-H203 PolarHBondContact O-CE1 3.35Å
125E87.3Confident94.3Very high182 Ų18253.8 Ų53.885%0.8528%0.275SS*.  trans-12369169.1-66.6-170.7165.600110.1C123 E127C123-E125 PolarHBondContact O-N 2.99Å; E125-E127 PolarHBondContact O-N 3.02Å
126P92.5Very high94.3Very high18 Ų1852.8 Ų52.812%0.11727%0.267CS..  trans-69.9134.3-171.928.3-34.3000112.3W124 F199 W200 H203 R204W124-P126 VanDerWaalsContact C-CD 3.48Å; P126-F199 HydrophobicContact CB-CE1 4.17Å; P126-F199 HydrophobicContact CB-CZ 4Å; P126-F199 HydrophobicContact CG-CE1 4.23Å; P126-F199 HydrophobicContact CG-CZ 3.89Å; P126-W200 HydrophobicContact CB-CH2 3.67Å; P126-W200 HydrophobicContact CB-CZ3 3.84Å; P126-W200 HydrophobicContact CG-CH2 4.38Å; P126-W200 HydrophobicContact CG-CZ3 4.05Å; P126-H203 VanDerWaalsContact CD-ND1 3.34Å; P126-H203 WeakPolarHBondContact CD-ND1 3.43Å; P126-H203 HydrophobicContact CG-CB 3.72Å; P126-H203 WeakPolarHBondContact CG-ND1 3.5Å; P126-R204 PolarHBondContact O-NH2 2.82Å
127E95Very high94.3Very high124 Ų12449.2 Ų49.258%0.57924%0.243SC*.  trans-80.2163.9-176.3-62.7-170.5178.400112.1E125 T129 D130 Y131E125-E127 PolarHBondContact O-N 3.02Å; E127-T129 PolarHBondContact O-N 3.44Å; E127-D130 WeakPolarHBondContact CB-OD2 3.28Å; E127-D130 PolarHBondContact N-OD2 2.58Å; E127-D130 PolarHBondContact O-N 3.01Å; E127-Y131 PolarHBondContact O-N 2.93Å
128N96.9Very high94.3Very high78 Ų7842.6 Ų42.642%0.41722%0.217SC..Hα-helixtrans-65.1-25.4173.2-74.2-22000112.8A132 L159 F163 R204N128-A132 WeakPolarHBondContact O-CB 3.44Å; N128-A132 PolarHBondContact O-N 2.9Å; N128-L159 HydrophobicContact CB-CD2 3.81Å; N128-F163 HydrophobicContact CB-CE2 3.91Å; N128-F163 HydrophobicContact CB-CZ 3.79Å; N128-R204 PolarHBondContact OD1-NH2 3.05Å
129T97.4Very high94.2Very high45 Ų4543.9 Ų43.928%0.27623%0.228SC..Hα-helixtrans-65.6-44.9174.6-48.40000110.6E127 Y131 A132 I133 I170E127-T129 PolarHBondContact O-N 3.44Å; T129-Y131 VanDerWaalsContact C-N 3.33Å; T129-Y131 PolarHBondContact O-N 3.32Å; T129-A132 WeakPolarHBondContact O-CB 3.13Å; T129-A132 PolarHBondContact O-N 3.23Å; T129-I133 HydrophobicContact CG2-CD1 4.39Å; T129-I133 WeakPolarHBondContact O-CG1 3.45Å; T129-I133 PolarHBondContact O-N 2.93Å; T129-I170 HydrophobicContact CG2-CG1 4.31Å
130D97.1Very high94.1Very high76 Ų7644.4 Ų44.441%0.40623%0.232SC..Hα-helixtrans-62.4-41.8178.4-56.2-49.8000111.3E127 A132 I133 Y134 W200E127-D130 WeakPolarHBondContact CB-OD2 3.28Å; E127-D130 PolarHBondContact N-OD2 2.58Å; E127-D130 PolarHBondContact O-N 3.01Å; D130-A132 VanDerWaalsContact C-N 3.35Å; D130-A132 PolarHBondContact O-N 3.45Å; D130-I133 PolarHBondContact O-N 3.5Å; D130-Y134 PolarHBondContact O-N 3.2Å; D130-W200 HydrophobicContact CB-CH2 3.82Å; D130-W200 HydrophobicContact CB-CZ2 3.91Å
131Y98.3Very high93.8Very high3 Ų344.8 Ų44.81%0.01223%0.232CC..Hα-helixtrans-65.8-38.4177.3-169.8-137.5000112.1E127 T129 I133 Y134 L135 N155 L159 W200 R204E127-Y131 PolarHBondContact O-N 2.93Å; T129-Y131 VanDerWaalsContact C-N 3.33Å; T129-Y131 PolarHBondContact O-N 3.32Å; Y131-I133 VanDerWaalsContact C-N 3.35Å; Y131-I133 PolarHBondContact O-N 2.94Å; Y131-Y134 AromaticContact CD2-CD1 3.92Å; Y131-Y134 HydrophobicContact CD2-CD1 3.92Å; Y131-Y134 AromaticContact CE2-CD1 3.89Å; Y131-Y134 HydrophobicContact CE2-CD1 3.89Å; Y131-Y134 HydrophobicContact CE2-CE1 4.27Å; Y131-Y134 PolarHBondContact O-N 3.19Å; Y131-L135 HydrophobicContact CD1-CD1 4.07Å; Y131-L135 HydrophobicContact CD2-CD1 4.42Å; Y131-L135 HydrophobicContact CD2-CG 4.17Å; Y131-L135 HydrophobicContact CE1-CD1 3.67Å; Y131-L135 HydrophobicContact CE1-CG 4.38Å; Y131-L135 HydrophobicContact CE2-CD1 4.07Å; Y131-L135 HydrophobicContact CE2-CD2 3.91Å; Y131-L135 HydrophobicContact CE2-CG 3.86Å; Y131-L135 HydrophobicContact CG-CD1 4.42Å; Y131-L135 WeakPolarHBondContact O-CG 3.17Å; Y131-L135 PolarHBondContact O-N 3.45Å; Y131-N155 HydrophobicContact CE1-CB 3.94Å; Y131-L159 HydrophobicContact CD1-CD1 3.73Å; Y131-L159 HydrophobicContact CE1-CD1 4.34Å; Y131-L159 HydrophobicContact CG-CD1 4.46Å; Y131-W200 VanDerWaalsContact CA-CH2 3.48Å; Y131-W200 AromaticContact CD2-CD2 3.54Å; Y131-W200 HydrophobicContact CD2-CD2 3.54Å; Y131-W200 AromaticContact CD2-CE3 3.4Å; Y131-W200 HydrophobicContact CD2-CE3 3.4Å; Y131-W200 VanDerWaalsContact CD2-CE3 3.4Å; Y131-W200 HydrophobicContact CD2-CG 4.05Å; Y131-W200 HydrophobicContact CD2-CH2 4.24Å; Y131-W200 HydrophobicContact CD2-CZ2 4.37Å; Y131-W200 AromaticContact CD2-CZ3 3.79Å; Y131-W200 HydrophobicContact CD2-CZ3 3.79Å; Y131-W200 HydrophobicContact CE2-CB 4.23Å; Y131-W200 HydrophobicContact CE2-CD2 4.13Å; Y131-W200 HydrophobicContact CE2-CE3 4.08Å; Y131-W200 HydrophobicContact CE2-CG 4.21Å; Y131-W200 HydrophobicContact CG-CD2 4.47Å; Y131-W200 HydrophobicContact CG-CE3 4Å; Y131-W200 HydrophobicContact CG-CH2 4.32Å; Y131-W200 AromaticContact CG-CZ3 3.93Å; Y131-W200 HydrophobicContact CG-CZ3 3.93Å; Y131-W200 VanDerWaalsContact N-CH2 3.3Å; Y131-R204 HydrophobicContact CD1-CG 3.8Å; Y131-R204 HydrophobicContact CD2-CG 4.05Å; Y131-R204 HydrophobicContact CE1-CB 4.02Å; Y131-R204 HydrophobicContact CE1-CG 3.78Å; Y131-R204 HydrophobicContact CE2-CB 4.06Å; Y131-R204 HydrophobicContact CE2-CG 4.04Å; Y131-R204 HydrophobicContact CG-CG 3.95Å
132A98.3Very high93.5Very high0 Ų051 Ų510%026%0.264CS..Hα-helixtrans-63-40.8175.100000111.9N128 T129 D130 C136 L159 F163 W167 I170N128-A132 WeakPolarHBondContact O-CB 3.44Å; N128-A132 PolarHBondContact O-N 2.9Å; T129-A132 WeakPolarHBondContact O-CB 3.13Å; T129-A132 PolarHBondContact O-N 3.23Å; D130-A132 VanDerWaalsContact C-N 3.35Å; D130-A132 PolarHBondContact O-N 3.45Å; A132-C136 WeakPolarHBondContact O-CB 3.28Å; A132-C136 PolarHBondContact O-N 2.94Å; A132-L159 HydrophobicContact CB-CB 4.15Å; A132-L159 HydrophobicContact CB-CD1 4.1Å; A132-F163 HydrophobicContact CB-CD2 4.34Å; A132-W167 HydrophobicContact CB-CZ3 4.31Å; A132-I170 HydrophobicContact CB-CD1 4.09Å; A132-I170 HydrophobicContact CB-CG2 4.08Å
133I98.3Very high93.4Very high9 Ų949.8 Ų49.85%0.04626%0.255CS..Hα-helixtrans-62.2-46.2174.6-64.1162000110.2T129 D130 Y131 C136 K137 I170 Q173 A174T129-I133 HydrophobicContact CG2-CD1 4.39Å; T129-I133 WeakPolarHBondContact O-CG1 3.45Å; T129-I133 PolarHBondContact O-N 2.93Å; D130-I133 PolarHBondContact O-N 3.5Å; Y131-I133 VanDerWaalsContact C-N 3.35Å; Y131-I133 PolarHBondContact O-N 2.94Å; I133-C136 PolarHBondContact O-N 3.24Å; I133-K137 WeakPolarHBondContact O-CB 3.25Å; I133-K137 PolarHBondContact O-N 2.83Å; I133-I170 HydrophobicContact CG1-CB 4.49Å; I133-I170 HydrophobicContact CG1-CG2 3.92Å; I133-Q173 HydrophobicContact CD1-CB 4.26Å; I133-Q173 HydrophobicContact CG1-CB 4.38Å; I133-Q173 HydrophobicContact CG2-CB 4.45Å; I133-A174 HydrophobicContact CG2-CB 4.19Å
134Y98.1Very high93.5Very high5 Ų549.9 Ų49.92%0.0226%0.261CS..Hα-helixtrans-58.8-50.6178167.4-104.3000112.7D130 Y131 K137 R138 E196 R197 W200D130-Y134 PolarHBondContact O-N 3.2Å; Y131-Y134 AromaticContact CD2-CD1 3.92Å; Y131-Y134 HydrophobicContact CD2-CD1 3.92Å; Y131-Y134 AromaticContact CE2-CD1 3.89Å; Y131-Y134 HydrophobicContact CE2-CD1 3.89Å; Y131-Y134 HydrophobicContact CE2-CE1 4.27Å; Y131-Y134 PolarHBondContact O-N 3.19Å; Y134-K137 WeakPolarHBondContact O-CB 3.48Å; Y134-K137 PolarHBondContact O-N 3.42Å; Y134-R138 HydrophobicContact CE2-CG 4.29Å; Y134-R138 PolarHBondContact O-N 3.45Å; Y134-R138 VanDerWaalsContact OH-CD 3.25Å; Y134-R138 WeakPolarHBondContact OH-CD 3.4Å; Y134-R138 PolarHBondContact OH-NH1 2.92Å; Y134-R138 VanDerWaalsContact OH-NH1 3.07Å; Y134-E196 HydrophobicContact CD2-CG 3.83Å; Y134-E196 HydrophobicContact CE2-CB 4.46Å; Y134-E196 HydrophobicContact CE2-CG 3.85Å; Y134-R197 VanDerWaalsContact OH-CA 3.28Å; Y134-R197 WeakPolarHBondContact OH-CA 3.4Å; Y134-R197 WeakPolarHBondContact OH-CB 3.33Å; Y134-W200 HydrophobicContact CD1-CB 4.4Å; Y134-W200 AromaticContact CD1-CD1 3.38Å; Y134-W200 HydrophobicContact CD1-CD2 4.38Å; Y134-W200 AromaticContact CD1-CG 3.81Å; Y134-W200 HydrophobicContact CD1-CG 3.81Å; Y134-W200 AromaticContact CD1-NE1 3.71Å; Y134-W200 AromaticContact CD2-CD1 3.45Å; Y134-W200 VanDerWaalsContact CD2-CD1 3.45Å; Y134-W200 AromaticContact CD2-NE1 3.53Å; Y134-W200 HydrophobicContact CE1-CB 4.08Å; Y134-W200 AromaticContact CE1-CD1 3.59Å; Y134-W200 AromaticContact CE1-CG 3.93Å; Y134-W200 HydrophobicContact CE1-CG 3.93Å; Y134-W200 AromaticContact CE2-CD1 3.63Å; Y134-W200 AromaticContact CG-CD1 3.31Å; Y134-W200 HydrophobicContact CG-CG 4.14Å; Y134-W200 AromaticContact CG-NE1 3.24Å; Y134-W200 AromaticContact CZ-CD1 3.69Å
135L98.1Very high93.5Very high0 Ų051.5 Ų51.50%027%0.267CS..Hα-helixtrans-64.5-43.6179.4-67.8179.4000111.5Y131 K137 R138 T139 L148 E152 N155 L156 L159Y131-L135 HydrophobicContact CD1-CD1 4.07Å; Y131-L135 HydrophobicContact CD2-CD1 4.42Å; Y131-L135 HydrophobicContact CD2-CG 4.17Å; Y131-L135 HydrophobicContact CE1-CD1 3.67Å; Y131-L135 HydrophobicContact CE1-CG 4.38Å; Y131-L135 HydrophobicContact CE2-CD1 4.07Å; Y131-L135 HydrophobicContact CE2-CD2 3.91Å; Y131-L135 HydrophobicContact CE2-CG 3.86Å; Y131-L135 HydrophobicContact CG-CD1 4.42Å; Y131-L135 WeakPolarHBondContact O-CG 3.17Å; Y131-L135 PolarHBondContact O-N 3.45Å; L135-K137 VanDerWaalsContact C-N 3.34Å; L135-K137 PolarHBondContact O-N 2.93Å; L135-R138 PolarHBondContact O-N 3.26Å; L135-T139 PolarHBondContact O-N 3.32Å; L135-T139 VanDerWaalsContact O-N 3.12Å; L135-L148 HydrophobicContact CD2-CD2 3.82Å; L135-E152 HydrophobicContact CD2-CB 3.96Å; L135-E152 HydrophobicContact CD2-CG 4.41Å; L135-N155 HydrophobicContact CD1-CB 4.21Å; L135-L156 HydrophobicContact CB-CB 4.4Å; L135-L156 HydrophobicContact CB-CD1 3.88Å; L135-L156 HydrophobicContact CD1-CB 3.99Å; L135-L159 HydrophobicContact CD1-CD1 4.1Å
136C97.4Very high93.6Very high3 Ų343.5 Ų43.52%0.0223%0.23CC..Hα-helixtrans-61.4-42.1175.4-172.80000111.5A132 I133 R138 T139 M140 W167 A174A132-C136 WeakPolarHBondContact O-CB 3.28Å; A132-C136 PolarHBondContact O-N 2.94Å; I133-C136 PolarHBondContact O-N 3.24Å; C136-R138 VanDerWaalsContact C-N 3.3Å; C136-R138 PolarHBondContact O-N 3.37Å; C136-T139 PolarHBondContact O-N 2.75Å; C136-T139 PolarHBondContact O-OG1 3.26Å; C136-M140 VanDerWaalsContact O-CG 3.23Å; C136-M140 WeakPolarHBondContact O-CG 3.45Å; C136-M140 PolarHBondContact O-N 2.75Å; C136-W167 HydrophobicContact CB-CH2 4.28Å; C136-W167 HydrophobicContact CB-CZ2 4.34Å; C136-A174 HydrophobicContact CB-CB 4Å
137K96.4Very high93.6Very high6 Ų649 Ų493%0.02625%0.254CS..Hα-helixtrans-58.6-42.5175.4178.417570.5-178.60111.2I133 Y134 L135 M140 Q141 A174 Q177 V178 D181 E196I133-K137 WeakPolarHBondContact O-CB 3.25Å; I133-K137 PolarHBondContact O-N 2.83Å; Y134-K137 WeakPolarHBondContact O-CB 3.48Å; Y134-K137 PolarHBondContact O-N 3.42Å; L135-K137 VanDerWaalsContact C-N 3.34Å; L135-K137 PolarHBondContact O-N 2.93Å; K137-M140 PolarHBondContact O-N 2.71Å; K137-Q141 WeakPolarHBondContact O-CG 3.38Å; K137-A174 HydrophobicContact CB-CB 4.14Å; K137-Q177 HydrophobicContact CD-CB 3.78Å; K137-V178 HydrophobicContact CB-CG2 4.49Å; K137-V178 HydrophobicContact CG-CG2 3.66Å; K137-D181 IonicContact NZ-OD2 3.88Å; K137-E196 WeakPolarHBondContact CE-OE2 3.3Å; K137-E196 IonicContact NZ-OE1 3.76Å; K137-E196 PolarHBondContact NZ-OE1 3.21Å; K137-E196 IonicContact NZ-OE2 2.69Å; K137-E196 PolarHBondContact NZ-OE2 2.82Å
138R95.6Very high93.7Very high10 Ų1044.7 Ų44.74%0.03824%0.235CC..Hα-helixtrans-64-43.6178.8-83-175.959.3-166.4-8113Y134 L135 C136 M140 Q141 L146 E147 L148 E152Y134-R138 HydrophobicContact CE2-CG 4.29Å; Y134-R138 PolarHBondContact O-N 3.45Å; Y134-R138 VanDerWaalsContact OH-CD 3.25Å; Y134-R138 WeakPolarHBondContact OH-CD 3.4Å; Y134-R138 PolarHBondContact OH-NH1 2.92Å; Y134-R138 VanDerWaalsContact OH-NH1 3.07Å; L135-R138 PolarHBondContact O-N 3.26Å; C136-R138 VanDerWaalsContact C-N 3.3Å; C136-R138 PolarHBondContact O-N 3.37Å; R138-M140 PolarHBondContact O-N 3.1Å; R138-Q141 PolarHBondContact O-N 3.37Å; R138-L146 PolarHBondContact NE-O 3.49Å; R138-L146 PolarHBondContact NH2-O 3.26Å; R138-E147 PolarHBondContact NH2-O 3.4Å; R138-L148 HydrophobicContact CB-CD2 3.91Å; R138-E152 IonicContact CZ-OE1 2.8Å; R138-E152 IonicContact CZ-OE2 2.67Å; R138-E152 VanDerWaalsContact CZ-OE2 3.28Å; R138-E152 IonicContact NH1-OE1 3.94Å; R138-E152 PolarHBondContact NH1-OE1 3.47Å; R138-E152 IonicContact NH1-OE2 3.76Å; R138-E152 PolarHBondContact NH1-OE2 3.11Å; R138-E152 IonicContact NH2-OE1 2.87Å; R138-E152 IonicContact NH2-OE2 3.7Å; R138-E152 PolarHBondContact NH2-OE2 3.38Å
139T94.9Very high93.6Very high64 Ų6442.4 Ų42.439%0.39323%0.227SC..Hα-helixtrans-63.5-26.4178.258.60000112.7L135 C136 Q141 N142 L148 L156L135-T139 PolarHBondContact O-N 3.32Å; L135-T139 VanDerWaalsContact O-N 3.12Å; C136-T139 PolarHBondContact O-N 2.75Å; C136-T139 PolarHBondContact O-OG1 3.26Å; T139-Q141 VanDerWaalsContact C-N 3.34Å; T139-Q141 PolarHBondContact O-N 3.24Å; T139-N142 PolarHBondContact O-OD1 2.65Å; T139-L148 HydrophobicContact CG2-CD1 3.51Å; T139-L148 HydrophobicContact CG2-CG 3.9Å; T139-L156 HydrophobicContact CG2-CD2 3.82Å
140M93.7Very high93.6Very high39 Ų3947.5 Ų47.519%0.19225%0.252CS..THydrogen-bonded Turntrans-78.9-12.4179.6-64.5171.78300114.4C136 K137 R138 F171 A174 E175 V178C136-M140 VanDerWaalsContact O-CG 3.23Å; C136-M140 WeakPolarHBondContact O-CG 3.45Å; C136-M140 PolarHBondContact O-N 2.75Å; K137-M140 PolarHBondContact O-N 2.71Å; R138-M140 PolarHBondContact O-N 3.1Å; M140-F171 HydrophobicContact CE-CE1 4.16Å; M140-F171 HydrophobicContact CE-CE2 3.82Å; M140-F171 HydrophobicContact CE-CZ 3.59Å; M140-F171 HydrophobicContact CG-CE2 4.46Å; M140-F171 HydrophobicContact SD-CD2 4.41Å; M140-F171 HydrophobicContact SD-CE2 4.04Å; M140-F171 HydrophobicContact SD-CZ 4.41Å; M140-A174 HydrophobicContact SD-CB 4.07Å; M140-E175 HydrophobicContact CE-CB 3.73Å; M140-E175 HydrophobicContact CE-CG 3.73Å; M140-V178 HydrophobicContact CB-CG2 4.24Å
141Q86.6Confident93.6Very high22 Ų2245.2 Ų45.210%0.10324%0.238CC..THydrogen-bonded Turntrans-84.9-15.4-173.7-67.1-154.336.700114.4K137 R138 T139 K143 L146K137-Q141 WeakPolarHBondContact O-CG 3.38Å; R138-Q141 PolarHBondContact O-N 3.37Å; T139-Q141 VanDerWaalsContact C-N 3.34Å; T139-Q141 PolarHBondContact O-N 3.24Å; Q141-K143 VanDerWaalsContact C-N 3.33Å; Q141-K143 WeakPolarHBondContact O-CG 3.37Å; Q141-K143 PolarHBondContact O-N 3.01Å; Q141-L146 HydrophobicContact CB-CD1 3.67Å; Q141-L146 HydrophobicContact CG-CD1 3.93Å
142N83.5Confident93.6Very high151 Ų15145.1 Ų45.181%0.80724%0.238SC*.  trans46.549.8179.2-63.8-14.9000113.5T139T139-N142 PolarHBondContact O-OD1 2.65Å
143K86.6Confident93.6Very high60 Ų6047.3 Ų47.326%0.26126%0.256SS..  trans-128.5128.4177.1-69.7170.5-166.61560109.1Q141 R145 L146 E147Q141-K143 VanDerWaalsContact C-N 3.33Å; Q141-K143 WeakPolarHBondContact O-CG 3.37Å; Q141-K143 PolarHBondContact O-N 3.01Å; K143-R145 VanDerWaalsContact C-N 3.26Å; K143-R145 HydrophobicContact CB-CG 4.39Å; K143-R145 PolarHBondContact O-N 2.99Å; K143-R145 VanDerWaalsContact O-N 3.14Å; K143-L146 HydrophobicContact CB-CB 4.44Å; K143-L146 HydrophobicContact CB-CD1 4.41Å; K143-L146 HydrophobicContact CB-CG 4.4Å; K143-L146 HydrophobicContact CD-CD1 4.11Å; K143-L146 WeakPolarHBondContact O-CA 3.46Å; K143-L146 PolarHBondContact O-N 3.46Å; K143-E147 PolarHBondContact O-N 3.39Å
144A86.3Confident93.5Very high74 Ų7453.7 Ų53.761%0.61229%0.285SS*.G310 helixtrans-48.7-44.4178.900000113.7L146 E147A144-L146 PolarHBondContact O-N 3.26Å; A144-E147 WeakPolarHBondContact O-CB 3.44Å; A144-E147 PolarHBondContact O-N 3.01Å; A144-E147 VanDerWaalsContact O-N 3.12Å
145R84.9Confident93.5Very high112 Ų11254.7 Ų54.742%0.42329%0.291SS..G310 helixtrans-62.7-12.2177.877.8-179.1175.489.211.6115.6K143 D193K143-R145 VanDerWaalsContact C-N 3.26Å; K143-R145 HydrophobicContact CB-CG 4.39Å; K143-R145 PolarHBondContact O-N 2.99Å; K143-R145 VanDerWaalsContact O-N 3.14Å; R145-D193 IonicContact CZ-OD2 2.86Å; R145-D193 VanDerWaalsContact CZ-OD2 3.24Å; R145-D193 IonicContact NH1-OD2 3.37Å; R145-D193 PolarHBondContact NH1-OD2 3.39Å; R145-D193 IonicContact NH2-OD2 2.8Å; R145-D193 PolarHBondContact NH2-OD2 2.86Å
146L89.3Confident93.5Very high14 Ų1455.4 Ų55.47%0.07330%0.295CS..G310 helixtrans-116.41.3-178.5-64.7-178.4000111.9R138 Q141 K143 A144 D193R138-L146 PolarHBondContact NE-O 3.49Å; R138-L146 PolarHBondContact NH2-O 3.26Å; Q141-L146 HydrophobicContact CB-CD1 3.67Å; Q141-L146 HydrophobicContact CG-CD1 3.93Å; K143-L146 HydrophobicContact CB-CB 4.44Å; K143-L146 HydrophobicContact CB-CD1 4.41Å; K143-L146 HydrophobicContact CB-CG 4.4Å; K143-L146 HydrophobicContact CD-CD1 4.11Å; K143-L146 WeakPolarHBondContact O-CA 3.46Å; K143-L146 PolarHBondContact O-N 3.46Å; A144-L146 PolarHBondContact O-N 3.26Å; L146-D193 HydrophobicContact CD2-CB 4.22Å
147E92.9Very high93.6Very high134 Ų13457.1 Ų57.163%0.62631%0.309SS*.PPolyproline II helixtrans-54.8142.2173.4-76.2171.9-173.900109.7R138 K143 A144R138-E147 PolarHBondContact NH2-O 3.4Å; K143-E147 PolarHBondContact O-N 3.39Å; A144-E147 WeakPolarHBondContact O-CB 3.44Å; A144-E147 PolarHBondContact O-N 3.01Å; A144-E147 VanDerWaalsContact O-N 3.12Å
148L96.1Very high93.6Very high34 Ų3463.4 Ų63.418%0.17833%0.332CS..PPolyproline II helixtrans-71.4135.9179.5-62.3-171.3000109L135 R138 T139 E152 A153 L156L135-L148 HydrophobicContact CD2-CD2 3.82Å; R138-L148 HydrophobicContact CB-CD2 3.91Å; T139-L148 HydrophobicContact CG2-CD1 3.51Å; T139-L148 HydrophobicContact CG2-CG 3.9Å; L148-E152 HydrophobicContact CB-CB 4.03Å; L148-E152 HydrophobicContact CD2-CB 4.27Å; L148-A153 HydrophobicContact CB-CB 4.36Å; L148-L156 HydrophobicContact CD1-CB 4.31Å; L148-L156 HydrophobicContact CD1-CD2 3.62Å
149A96Very high93.8Very high30 Ų3063.2 Ų63.225%0.24833%0.332CS..PPolyproline II helixtrans-66.7161.6163.800000110.3Y151 E152 A153A149-Y151 VanDerWaalsContact C-N 3.3Å; A149-Y151 HydrophobicContact CB-CD1 3.68Å; A149-Y151 HydrophobicContact CB-CE1 3.54Å; A149-Y151 PolarHBondContact O-N 2.84Å; A149-E152 HydrophobicContact CB-CG 4.23Å; A149-E152 PolarHBondContact N-OE2 2.82Å; A149-E152 WeakPolarHBondContact O-CA 3.42Å; A149-E152 WeakPolarHBondContact O-CB 3.36Å; A149-E152 PolarHBondContact O-N 3.4Å; A149-A153 PolarHBondContact O-N 3.28Å
150D97Very high93.9Very high151 Ų15164 Ų6481%0.80733%0.331SS*.Hα-helixtrans-55.4-43.9-176.2-65-29.7000112.7E152 A153 E154D150-E152 VanDerWaalsContact C-N 3.31Å; D150-E152 PolarHBondContact O-N 3.17Å; D150-A153 PolarHBondContact O-N 3.22Å; D150-E154 PolarHBondContact O-N 3.35Å
151Y97.2Very high94.1Very high29 Ų2970.6 Ų70.611%0.11435%0.354CS..Hα-helixtrans-66.1-32.4177.780.3-85.5000112.6H100 A149 N155 V206 P207H100-Y151 PolarHBondContact ND1-OH 3.13Å; A149-Y151 VanDerWaalsContact C-N 3.3Å; A149-Y151 HydrophobicContact CB-CD1 3.68Å; A149-Y151 HydrophobicContact CB-CE1 3.54Å; A149-Y151 PolarHBondContact O-N 2.84Å; Y151-N155 WeakPolarHBondContact O-CB 3.44Å; Y151-N155 VanDerWaalsContact O-CG 3.29Å; Y151-N155 PolarHBondContact O-N 3.06Å; Y151-N155 PolarHBondContact O-ND2 2.94Å; Y151-N155 VanDerWaalsContact O-ND2 3.15Å; Y151-V206 HydrophobicContact CE1-CG1 4.46Å; Y151-V206 HydrophobicContact CE1-CG2 4Å; Y151-P207 HydrophobicContact CD2-CG 4.45Å; Y151-P207 HydrophobicContact CG-CG 4.31Å
152E97.9Very high94.6Very high1 Ų173.1 Ų73.11%0.00538%0.379CS..Hα-helixtrans-71.8-39175.7-62-173.511700110.9H100 L135 R138 L148 A149 D150 N155 L156H100-E152 IonicContact CE1-OE1 3.5Å; H100-E152 IonicContact CE1-OE2 2.71Å; H100-E152 IonicContact NE2-OE2 2.68Å; L135-E152 HydrophobicContact CD2-CB 3.96Å; L135-E152 HydrophobicContact CD2-CG 4.41Å; R138-E152 IonicContact CZ-OE1 2.8Å; R138-E152 IonicContact CZ-OE2 2.67Å; R138-E152 VanDerWaalsContact CZ-OE2 3.28Å; R138-E152 IonicContact NH1-OE1 3.94Å; R138-E152 PolarHBondContact NH1-OE1 3.47Å; R138-E152 IonicContact NH1-OE2 3.76Å; R138-E152 PolarHBondContact NH1-OE2 3.11Å; R138-E152 IonicContact NH2-OE1 2.87Å; R138-E152 IonicContact NH2-OE2 3.7Å; R138-E152 PolarHBondContact NH2-OE2 3.38Å; L148-E152 HydrophobicContact CB-CB 4.03Å; L148-E152 HydrophobicContact CD2-CB 4.27Å; A149-E152 HydrophobicContact CB-CG 4.23Å; A149-E152 PolarHBondContact N-OE2 2.82Å; A149-E152 WeakPolarHBondContact O-CA 3.42Å; A149-E152 WeakPolarHBondContact O-CB 3.36Å; A149-E152 PolarHBondContact O-N 3.4Å; D150-E152 VanDerWaalsContact C-N 3.31Å; D150-E152 PolarHBondContact O-N 3.17Å; E152-N155 WeakPolarHBondContact O-CB 3.49Å; E152-N155 PolarHBondContact O-N 3.35Å; E152-L156 WeakPolarHBondContact O-CB 3.46Å; E152-L156 PolarHBondContact O-N 2.97Å
153A97.7Very high95.3Very high46 Ų4668 Ų6838%0.3835%0.349SS..Hα-helixtrans-64.9-41.5174.800000111.6L148 A149 D150 L156 A157L148-A153 HydrophobicContact CB-CB 4.36Å; A149-A153 PolarHBondContact O-N 3.28Å; D150-A153 PolarHBondContact O-N 3.22Å; A153-L156 PolarHBondContact O-N 3.18Å; A153-A157 WeakPolarHBondContact O-CB 3.34Å; A153-A157 PolarHBondContact O-N 3.36Å
154E97.8Very high95.8Very high142 Ų14268.3 Ų68.366%0.66436%0.363SS*.Hα-helixtrans-62.2-44.8173.1-172.1-176.2169.200111.5D150 L156 A157 R158D150-E154 PolarHBondContact O-N 3.35Å; E154-L156 PolarHBondContact O-N 3.06Å; E154-A157 PolarHBondContact O-N 3.48Å; E154-R158 PolarHBondContact O-N 3.44Å
155N97.7Very high96.3Very high27 Ų2776.7 Ų76.714%0.14438%0.379CS..Hα-helixtrans-59-45.7174.5-83.8-36.9000111.8Y131 L135 Y151 E152 A157 R158 L159Y131-N155 HydrophobicContact CE1-CB 3.94Å; L135-N155 HydrophobicContact CD1-CB 4.21Å; Y151-N155 WeakPolarHBondContact O-CB 3.44Å; Y151-N155 VanDerWaalsContact O-CG 3.29Å; Y151-N155 PolarHBondContact O-N 3.06Å; Y151-N155 PolarHBondContact O-ND2 2.94Å; Y151-N155 VanDerWaalsContact O-ND2 3.15Å; E152-N155 WeakPolarHBondContact O-CB 3.49Å; E152-N155 PolarHBondContact O-N 3.35Å; N155-A157 PolarHBondContact O-N 2.88Å; N155-R158 WeakPolarHBondContact O-CB 3.26Å; N155-R158 PolarHBondContact O-N 2.97Å; N155-R158 PolarHBondContact OD1-NH2 3.26Å; N155-L159 WeakPolarHBondContact O-CD1 3.29Å; N155-L159 WeakPolarHBondContact O-CG 3.47Å; N155-L159 PolarHBondContact O-N 2.9Å
156L98.2Very high96.8Very high15 Ų1578.1 Ų78.18%0.07939%0.388CS..Hα-helixtrans-58.8-47.3176.1-178.758.6000111.2L135 T139 L148 E152 A153 E154 R158 L159 Q160 W167L135-L156 HydrophobicContact CB-CB 4.4Å; L135-L156 HydrophobicContact CB-CD1 3.88Å; L135-L156 HydrophobicContact CD1-CB 3.99Å; T139-L156 HydrophobicContact CG2-CD2 3.82Å; L148-L156 HydrophobicContact CD1-CB 4.31Å; L148-L156 HydrophobicContact CD1-CD2 3.62Å; E152-L156 WeakPolarHBondContact O-CB 3.46Å; E152-L156 PolarHBondContact O-N 2.97Å; A153-L156 PolarHBondContact O-N 3.18Å; E154-L156 PolarHBondContact O-N 3.06Å; L156-R158 VanDerWaalsContact C-N 3.29Å; L156-R158 PolarHBondContact O-N 3.34Å; L156-L159 PolarHBondContact O-N 3.21Å; L156-L159 VanDerWaalsContact O-N 3.17Å; L156-Q160 HydrophobicContact CD1-CG 4.35Å; L156-Q160 WeakPolarHBondContact O-CB 3.47Å; L156-Q160 WeakPolarHBondContact O-CG 3.45Å; L156-Q160 PolarHBondContact O-N 3.47Å; L156-W167 HydrophobicContact CD1-CH2 3.57Å; L156-W167 HydrophobicContact CD1-CZ2 4.35Å; L156-W167 HydrophobicContact CD1-CZ3 4.43Å
157A98.2Very high97.2Very high38 Ų3879.9 Ų79.931%0.31439%0.394SS..Hα-helixtrans-61.5-36.8178.100000112.4A153 E154 N155 R161A153-A157 WeakPolarHBondContact O-CB 3.34Å; A153-A157 PolarHBondContact O-N 3.36Å; E154-A157 PolarHBondContact O-N 3.48Å; N155-A157 PolarHBondContact O-N 2.88Å; A157-R161 PolarHBondContact O-N 3.47Å; A157-R161 PolarHBondContact O-NE 2.8Å
158R98.1Very high97.4Very high138 Ų13881 Ų8152%0.52140%0.399SS..Hα-helixtrans-66.7-43.6173.6-176.8176.762.3172.3-2.8111.9E154 N155 L156 R161 A162E154-R158 PolarHBondContact O-N 3.44Å; N155-R158 WeakPolarHBondContact O-CB 3.26Å; N155-R158 PolarHBondContact O-N 2.97Å; N155-R158 PolarHBondContact OD1-NH2 3.26Å; L156-R158 VanDerWaalsContact C-N 3.29Å; L156-R158 PolarHBondContact O-N 3.34Å; R158-R161 PolarHBondContact O-N 3.39Å; R158-A162 WeakPolarHBondContact O-CB 3.47Å; R158-A162 PolarHBondContact O-N 2.92Å
159L98.1Very high97.4Very high7 Ų786 Ų864%0.03742%0.42CS..Hα-helixtrans-68.4-38.4179.6-67.4164.1000111.9N128 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 4.46Å; A132-L159 HydrophobicContact CB-CB 4.15Å; A132-L159 HydrophobicContact CB-CD1 4.1Å; L135-L159 HydrophobicContact CD1-CD1 4.1Å; N155-L159 WeakPolarHBondContact O-CD1 3.29Å; N155-L159 WeakPolarHBondContact O-CG 3.47Å; N155-L159 PolarHBondContact O-N 2.9Å; L156-L159 PolarHBondContact O-N 3.21Å; L156-L159 VanDerWaalsContact O-N 3.17Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 2.91Å; L159-A162 PolarHBondContact O-N 3.31Å; L159-F163 HydrophobicContact CB-CD2 4.28Å; L159-F163 HydrophobicContact CD2-CD2 4.25Å; L159-F163 HydrophobicContact CD2-CE2 3.7Å; L159-F163 WeakPolarHBondContact O-CB 3.32Å; L159-F163 WeakPolarHBondContact O-CD2 3.33Å; L159-F163 PolarHBondContact O-N 2.98Å
160Q97.9Very high97.5Very high80 Ų8084.9 Ų84.937%0.37441%0.409SS..Hα-helixtrans-58.1-43172.6-78.6176-20.100111.8L156 A164 W167L156-Q160 HydrophobicContact CD1-CG 4.35Å; L156-Q160 WeakPolarHBondContact O-CB 3.47Å; L156-Q160 WeakPolarHBondContact O-CG 3.45Å; L156-Q160 PolarHBondContact O-N 3.47Å; Q160-A164 VanDerWaalsContact O-CA 3.28Å; Q160-A164 WeakPolarHBondContact O-CA 3.49Å; Q160-A164 PolarHBondContact O-N 3.39Å; Q160-W167 HydrophobicContact CB-CE3 4.35Å; Q160-W167 HydrophobicContact CB-CZ3 4.3Å; Q160-W167 HydrophobicContact CG-CD2 3.97Å; Q160-W167 HydrophobicContact CG-CE3 3.76Å; Q160-W167 HydrophobicContact CG-CH2 3.36Å; Q160-W167 HydrophobicContact CG-CZ2 3.54Å; Q160-W167 HydrophobicContact CG-CZ3 3.44Å; Q160-W167 VanDerWaalsContact CG-CZ3 3.44Å; Q160-W167 VanDerWaalsContact NE2-CZ2 3.32Å
161R97.8Very high97.6Very high178 Ų17882 Ų8267%0.67239%0.39SS*.Hα-helixtrans-65-46.5173.8-75.3-178.8-78.7123.5-10.3111.9A157 R158 L159 F163A157-R161 PolarHBondContact O-N 3.47Å; A157-R161 PolarHBondContact O-NE 2.8Å; R158-R161 PolarHBondContact O-N 3.39Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 2.91Å; R161-F163 VanDerWaalsContact C-N 3.34Å; R161-F163 PolarHBondContact O-N 2.94Å
162A97.4Very high97.6Very high74 Ų7486.3 Ų86.361%0.61241%0.413SS*.Hα-helixtrans-65.4-35.6-178.800000113.1R158 L159R158-A162 WeakPolarHBondContact O-CB 3.47Å; R158-A162 PolarHBondContact O-N 2.92Å; L159-A162 PolarHBondContact O-N 3.31Å
163F97.6Very high97.6Very high44 Ų4491.1 Ų91.119%0.19344%0.435CS..THydrogen-bonded Turntrans-110.623.2-175.6-59-53.2000113.8N128 A132 L159 R161 R165 K166 W167 I170N128-F163 HydrophobicContact CB-CE2 3.91Å; N128-F163 HydrophobicContact CB-CZ 3.79Å; A132-F163 HydrophobicContact CB-CD2 4.34Å; L159-F163 HydrophobicContact CB-CD2 4.28Å; L159-F163 HydrophobicContact CD2-CD2 4.25Å; L159-F163 HydrophobicContact CD2-CE2 3.7Å; L159-F163 WeakPolarHBondContact O-CB 3.32Å; L159-F163 WeakPolarHBondContact O-CD2 3.33Å; L159-F163 PolarHBondContact O-N 2.98Å; R161-F163 VanDerWaalsContact C-N 3.34Å; R161-F163 PolarHBondContact O-N 2.94Å; F163-R165 PolarHBondContact O-N 2.85Å; F163-K166 CarbonylContact O-C 3.39Å; F163-K166 WeakPolarHBondContact O-CA 3.12Å; F163-K166 PolarHBondContact O-N 2.98Å; F163-W167 PolarHBondContact O-N 3.41Å; F163-I170 HydrophobicContact CB-CD1 3.71Å; F163-I170 HydrophobicContact CD2-CD1 4Å; F163-I170 HydrophobicContact CG-CD1 4.04Å
164A97.3Very high97.6Very high67 Ų6789 Ų8955%0.55442%0.417SS*.G310 helixtrans-49.3-41.4-173.800000113.7Q160 K166Q160-A164 VanDerWaalsContact O-CA 3.28Å; Q160-A164 WeakPolarHBondContact O-CA 3.49Å; Q160-A164 PolarHBondContact O-N 3.39Å; A164-K166 VanDerWaalsContact C-N 3.34Å; A164-K166 PolarHBondContact O-N 3.07Å
165R96.6Very high97.5Very high250 Ų25085.7 Ų85.794%0.94340%0.402SS*.G310 helixtrans-73.6-20.7179.1-65.8-177.4177.5173.1-0.8114.8F163F163-R165 PolarHBondContact O-N 2.85Å
166K95.5Very high97.5Very high141 Ų14186.7 Ų86.761%0.61341%0.414SS*.G310 helixtrans-108.13.3-179.5-66.9-177.4178.5-177.40112.2F163 A164 E168 F169 I170F163-K166 CarbonylContact O-C 3.39Å; F163-K166 WeakPolarHBondContact O-CA 3.12Å; F163-K166 PolarHBondContact O-N 2.98Å; A164-K166 VanDerWaalsContact C-N 3.34Å; A164-K166 PolarHBondContact O-N 3.07Å; K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 2.78Å; K166-F169 WeakPolarHBondContact O-CB 3.49Å; K166-F169 PolarHBondContact O-N 2.81Å; K166-F169 VanDerWaalsContact O-N 3.1Å; K166-I170 PolarHBondContact O-N 3.17Å
167W97.6Very high97.4Very high51 Ų5189.2 Ų89.219%0.19343%0.425CS..Hα-helixtrans-62.2-37.2-170.7-171.1-103.4000112.9A132 C136 L156 Q160 F163 F169 I170 F171A132-W167 HydrophobicContact CB-CZ3 4.31Å; C136-W167 HydrophobicContact CB-CH2 4.28Å; C136-W167 HydrophobicContact CB-CZ2 4.34Å; L156-W167 HydrophobicContact CD1-CH2 3.57Å; L156-W167 HydrophobicContact CD1-CZ2 4.35Å; L156-W167 HydrophobicContact CD1-CZ3 4.43Å; Q160-W167 HydrophobicContact CB-CE3 4.35Å; Q160-W167 HydrophobicContact CB-CZ3 4.3Å; Q160-W167 HydrophobicContact CG-CD2 3.97Å; Q160-W167 HydrophobicContact CG-CE3 3.76Å; Q160-W167 HydrophobicContact CG-CH2 3.36Å; Q160-W167 HydrophobicContact CG-CZ2 3.54Å; Q160-W167 HydrophobicContact CG-CZ3 3.44Å; Q160-W167 VanDerWaalsContact CG-CZ3 3.44Å; Q160-W167 VanDerWaalsContact NE2-CZ2 3.32Å; F163-W167 PolarHBondContact O-N 3.41Å; W167-F169 VanDerWaalsContact C-N 3.28Å; W167-F169 PolarHBondContact O-N 3.33Å; W167-I170 HydrophobicContact CE3-CB 4.46Å; W167-I170 HydrophobicContact CE3-CD1 4.08Å; W167-I170 HydrophobicContact CE3-CG2 4.35Å; W167-I170 HydrophobicContact CH2-CG2 4.29Å; W167-I170 HydrophobicContact CZ3-CD1 4.3Å; W167-I170 HydrophobicContact CZ3-CG2 4.06Å; W167-I170 WeakPolarHBondContact O-CB 3.19Å; W167-I170 PolarHBondContact O-N 3.14Å; W167-F171 WeakPolarHBondContact O-CB 3.41Å; W167-F171 PolarHBondContact O-N 3.06Å
168E97.2Very high97.2Very high159 Ų15987.8 Ų87.874%0.74341%0.413SS*.Hα-helixtrans-59.5-38.5176.2-66.8-173.5165.700112.4K166 F171 M172K166-E168 VanDerWaalsContact C-N 3.31Å; K166-E168 PolarHBondContact O-N 2.78Å; E168-F171 PolarHBondContact O-N 3.41Å; E168-M172 WeakPolarHBondContact O-CB 3.09Å; E168-M172 PolarHBondContact O-N 3.03Å
169F97.4Very high97.1Very high139 Ų13986.8 Ų86.861%0.6141%0.412SS*.Hα-helixtrans-68.5-41.8176.1-63.7-73.6000111.9K166 W167 F171 M172 Q173K166-F169 WeakPolarHBondContact O-CB 3.49Å; K166-F169 PolarHBondContact O-N 2.81Å; K166-F169 VanDerWaalsContact O-N 3.1Å; W167-F169 VanDerWaalsContact C-N 3.28Å; W167-F169 PolarHBondContact O-N 3.33Å; F169-F171 VanDerWaalsContact C-N 3.33Å; F169-F171 PolarHBondContact O-N 2.96Å; F169-M172 PolarHBondContact O-N 3.24Å; F169-Q173 WeakPolarHBondContact O-CG 3.35Å; F169-Q173 PolarHBondContact O-N 3.04Å
170I97.7Very high96.9Very high5 Ų591.1 Ų91.13%0.02643%0.434CS..Hα-helixtrans-59.8-46.5175.3-67.9171.4000110T129 A132 I133 F163 K166 W167 Q173 A174T129-I170 HydrophobicContact CG2-CG1 4.31Å; A132-I170 HydrophobicContact CB-CD1 4.09Å; A132-I170 HydrophobicContact CB-CG2 4.08Å; I133-I170 HydrophobicContact CG1-CB 4.49Å; I133-I170 HydrophobicContact CG1-CG2 3.92Å; F163-I170 HydrophobicContact CB-CD1 3.71Å; F163-I170 HydrophobicContact CD2-CD1 4Å; F163-I170 HydrophobicContact CG-CD1 4.04Å; K166-I170 PolarHBondContact O-N 3.17Å; W167-I170 HydrophobicContact CE3-CB 4.46Å; W167-I170 HydrophobicContact CE3-CD1 4.08Å; W167-I170 HydrophobicContact CE3-CG2 4.35Å; W167-I170 HydrophobicContact CH2-CG2 4.29Å; W167-I170 HydrophobicContact CZ3-CD1 4.3Å; W167-I170 HydrophobicContact CZ3-CG2 4.06Å; W167-I170 WeakPolarHBondContact O-CB 3.19Å; W167-I170 PolarHBondContact O-N 3.14Å; I170-Q173 PolarHBondContact O-N 3.28Å; I170-A174 WeakPolarHBondContact O-CB 3.33Å; I170-A174 PolarHBondContact O-N 2.86Å
171F98.1Very high96.6Very high90 Ų9088.5 Ų88.540%0.39542%0.423SS..Hα-helixtrans-62-45.1177.7-175.9-90.3000111.8M140 W167 E168 F169 Q173 A174 E175M140-F171 HydrophobicContact CE-CE1 4.16Å; M140-F171 HydrophobicContact CE-CE2 3.82Å; M140-F171 HydrophobicContact CE-CZ 3.59Å; M140-F171 HydrophobicContact CG-CE2 4.46Å; M140-F171 HydrophobicContact SD-CD2 4.41Å; M140-F171 HydrophobicContact SD-CE2 4.04Å; M140-F171 HydrophobicContact SD-CZ 4.41Å; W167-F171 WeakPolarHBondContact O-CB 3.41Å; W167-F171 PolarHBondContact O-N 3.06Å; E168-F171 PolarHBondContact O-N 3.41Å; F169-F171 VanDerWaalsContact C-N 3.33Å; F169-F171 PolarHBondContact O-N 2.96Å; F171-Q173 PolarHBondContact O-N 3.1Å; F171-A174 PolarHBondContact O-N 3.24Å; F171-E175 WeakPolarHBondContact O-CB 3.21Å; F171-E175 PolarHBondContact O-N 3.45Å
172M97.6Very high96.3Very high121 Ų12187.9 Ų87.960%0.59642%0.421SS*.Hα-helixtrans-62.1-41.5178.2-170.6-175.9-61.500112E168 F169 E175 A176E168-M172 WeakPolarHBondContact O-CB 3.09Å; E168-M172 PolarHBondContact O-N 3.03Å; F169-M172 PolarHBondContact O-N 3.24Å; M172-E175 PolarHBondContact O-N 3.39Å; M172-A176 WeakPolarHBondContact O-CB 3.49Å; M172-A176 PolarHBondContact O-N 3.04Å
173Q97.9Very high96.1Very high102 Ų10293.1 Ų93.148%0.47743%0.429SS..Hα-helixtrans-65.8-43.9175.4-75.8-175-32.500112.1I133 F169 I170 F171 E175 A176 Q177I133-Q173 HydrophobicContact CD1-CB 4.26Å; I133-Q173 HydrophobicContact CG1-CB 4.38Å; I133-Q173 HydrophobicContact CG2-CB 4.45Å; F169-Q173 WeakPolarHBondContact O-CG 3.35Å; F169-Q173 PolarHBondContact O-N 3.04Å; I170-Q173 PolarHBondContact O-N 3.28Å; F171-Q173 PolarHBondContact O-N 3.1Å; Q173-E175 VanDerWaalsContact C-N 3.35Å; Q173-E175 PolarHBondContact O-N 3.3Å; Q173-A176 PolarHBondContact O-N 3.18Å; Q173-Q177 WeakPolarHBondContact O-CG 3.45Å; Q173-Q177 PolarHBondContact O-N 2.8Å
174A97.4Very high95.9Very high0 Ų094.2 Ų94.20%043%0.434CS..Hα-helixtrans-59.7-45.317500000111.3I133 C136 K137 M140 I170 F171 A176 Q177 V178I133-A174 HydrophobicContact CG2-CB 4.19Å; C136-A174 HydrophobicContact CB-CB 4Å; K137-A174 HydrophobicContact CB-CB 4.14Å; M140-A174 HydrophobicContact SD-CB 4.07Å; I170-A174 WeakPolarHBondContact O-CB 3.33Å; I170-A174 PolarHBondContact O-N 2.86Å; F171-A174 PolarHBondContact O-N 3.24Å; A174-A176 PolarHBondContact O-N 3.47Å; A174-Q177 PolarHBondContact O-N 2.98Å; A174-V178 WeakPolarHBondContact O-CG2 3.43Å; A174-V178 PolarHBondContact O-N 3.34Å
175E97.2Very high95.8Very high73 Ų7395 Ų9534%0.34143%0.429SS..Hα-helixtrans-60.9-43.4177.4-162.1-166.9-144.500112.2M140 F171 M172 Q173 Q177 V178 K179M140-E175 HydrophobicContact CE-CB 3.73Å; M140-E175 HydrophobicContact CE-CG 3.73Å; F171-E175 WeakPolarHBondContact O-CB 3.21Å; F171-E175 PolarHBondContact O-N 3.45Å; M172-E175 PolarHBondContact O-N 3.39Å; Q173-E175 VanDerWaalsContact C-N 3.35Å; Q173-E175 PolarHBondContact O-N 3.3Å; E175-Q177 VanDerWaalsContact C-N 3.33Å; E175-Q177 PolarHBondContact O-N 3.11Å; E175-V178 PolarHBondContact O-N 2.84Å; E175-K179 VanDerWaalsContact CD-NZ 3.3Å; E175-K179 WeakPolarHBondContact O-CG 3.24Å; E175-K179 PolarHBondContact O-N 2.89Å; E175-K179 IonicContact OE1-NZ 3.24Å; E175-K179 IonicContact OE2-NZ 2.69Å; E175-K179 PolarHBondContact OE2-NZ 2.66Å
176A97.4Very high95.4Very high48 Ų4890 Ų9040%0.39741%0.414SS..Hα-helixtrans-60.5-42.717700000111.6M172 Q173 A174 K179 I180M172-A176 WeakPolarHBondContact O-CB 3.49Å; M172-A176 PolarHBondContact O-N 3.04Å; Q173-A176 PolarHBondContact O-N 3.18Å; A174-A176 PolarHBondContact O-N 3.47Å; A176-K179 WeakPolarHBondContact O-CB 3.47Å; A176-K179 PolarHBondContact O-N 3.32Å; A176-I180 WeakPolarHBondContact O-CG1 3.32Å; A176-I180 PolarHBondContact O-N 3.44Å; A176-I180 VanDerWaalsContact O-N 3.14Å
177Q95.6Very high95.1Very high68 Ų6886.5 Ų86.532%0.31840%0.404SS..Hα-helixtrans-63.9-44.1174.3-69.4-174.318.100112K137 Q173 A174 E175 K179 I180 D181K137-Q177 HydrophobicContact CD-CB 3.78Å; Q173-Q177 WeakPolarHBondContact O-CG 3.45Å; Q173-Q177 PolarHBondContact O-N 2.8Å; A174-Q177 PolarHBondContact O-N 2.98Å; E175-Q177 VanDerWaalsContact C-N 3.33Å; E175-Q177 PolarHBondContact O-N 3.11Å; Q177-K179 VanDerWaalsContact C-N 3.26Å; Q177-K179 PolarHBondContact O-N 3.03Å; Q177-I180 WeakPolarHBondContact O-CB 3.27Å; Q177-I180 PolarHBondContact O-N 3.2Å; Q177-D181 VanDerWaalsContact O-CG 3.31Å; Q177-D181 PolarHBondContact O-N 3.3Å
178V94.8Very high94.8Very high9 Ų987.8 Ų87.86%0.05541%0.413CS..Hα-helixtrans-56.7-41.4174.7174.40000111.4K137 M140 A174 E175 I180 D181 R182K137-V178 HydrophobicContact CB-CG2 4.49Å; K137-V178 HydrophobicContact CG-CG2 3.66Å; M140-V178 HydrophobicContact CB-CG2 4.24Å; A174-V178 WeakPolarHBondContact O-CG2 3.43Å; A174-V178 PolarHBondContact O-N 3.34Å; E175-V178 PolarHBondContact O-N 2.84Å; V178-I180 VanDerWaalsContact C-N 3.31Å; V178-I180 PolarHBondContact O-N 2.87Å; V178-D181 PolarHBondContact O-N 3.49Å; V178-R182 HydrophobicContact CG1-CG 4.32Å; V178-R182 WeakPolarHBondContact O-CB 3.36Å; V178-R182 VanDerWaalsContact O-CG 3.28Å; V178-R182 WeakPolarHBondContact O-CG 3.45Å; V178-R182 PolarHBondContact O-N 2.72Å
179K95.2Very high94.6Very high116 Ų11682.4 Ų82.450%0.50439%0.386SS..Hα-helixtrans-62.9-37.9177.6-73169.9-174.9161.80111.8E175 A176 Q177E175-K179 VanDerWaalsContact CD-NZ 3.3Å; E175-K179 WeakPolarHBondContact O-CG 3.24Å; E175-K179 PolarHBondContact O-N 2.89Å; E175-K179 IonicContact OE1-NZ 3.24Å; E175-K179 IonicContact OE2-NZ 2.69Å; E175-K179 PolarHBondContact OE2-NZ 2.66Å; A176-K179 WeakPolarHBondContact O-CB 3.47Å; A176-K179 PolarHBondContact O-N 3.32Å; Q177-K179 VanDerWaalsContact C-N 3.26Å; Q177-K179 PolarHBondContact O-N 3.03Å
180I93.8Very high94.3Very high98 Ų9879.2 Ų79.250%0.50337%0.371SS..Hα-helixtrans-68.1-48.6174.9-65.8166000110.1A176 Q177 V178 R182 K183A176-I180 WeakPolarHBondContact O-CG1 3.32Å; A176-I180 PolarHBondContact O-N 3.44Å; A176-I180 VanDerWaalsContact O-N 3.14Å; Q177-I180 WeakPolarHBondContact O-CB 3.27Å; Q177-I180 PolarHBondContact O-N 3.2Å; V178-I180 VanDerWaalsContact C-N 3.31Å; V178-I180 PolarHBondContact O-N 2.87Å; I180-R182 PolarHBondContact O-N 3.47Å; I180-K183 WeakPolarHBondContact O-CB 3.47Å; I180-K183 PolarHBondContact O-N 3.04Å
181D91.8Very high94.1Very high25 Ų2580.6 Ų80.613%0.13438%0.379CS..Hα-helixtrans-62.6-31.2-178.4-66-22.5000112.3K137 Q177 V178 K183 K184 R189K137-D181 IonicContact NZ-OD2 3.88Å; Q177-D181 VanDerWaalsContact O-CG 3.31Å; Q177-D181 PolarHBondContact O-N 3.3Å; V178-D181 PolarHBondContact O-N 3.49Å; D181-K183 PolarHBondContact O-N 3.46Å; D181-K184 PolarHBondContact O-N 2.86Å; D181-R189 WeakPolarHBondContact O-CD 3.34Å
182R91.1Very high93.9Very high166 Ų16678.8 Ų78.863%0.62637%0.373SS*.THydrogen-bonded Turntrans-66.2-21.3175-77.6177.1-177.5-170.93.3114V178 I180V178-R182 HydrophobicContact CG1-CG 4.32Å; V178-R182 WeakPolarHBondContact O-CB 3.36Å; V178-R182 VanDerWaalsContact O-CG 3.28Å; V178-R182 WeakPolarHBondContact O-CG 3.45Å; V178-R182 PolarHBondContact O-N 2.72Å; I180-R182 PolarHBondContact O-N 3.47Å
183K93.9Very high93.8Very high183 Ų18373.5 Ų73.580%0.79635%0.347SS*.THydrogen-bonded Turntrans-78.8-20176.4-62.6177.6-178.6-179.20112.8I180 D181I180-K183 WeakPolarHBondContact O-CB 3.47Å; I180-K183 PolarHBondContact O-N 3.04Å; D181-K183 PolarHBondContact O-N 3.46Å
184K93.3Very high93.7Very high67 Ų6769.3 Ų69.329%0.29133%0.329SS..SBendtrans-77.1153.7178.4-58.6-168.9174-148.50111.3D181 E188 R189 L192D181-K184 PolarHBondContact O-N 2.86Å; K184-E188 IonicContact NZ-OE1 2.74Å; K184-E188 PolarHBondContact NZ-OE1 2.64Å; K184-R189 HydrophobicContact CB-CB 4.4Å; K184-L192 HydrophobicContact CD-CD1 3.46Å; K184-L192 VanDerWaalsContact CD-CD1 3.46Å
185D94Very high93.7Very high85 Ų8570.7 Ų70.746%0.45534%0.335SS..  trans-66.9158.8176.18579000111.3T187 E188 R189D185-T187 PolarHBondContact O-N 3.2Å; D185-T187 WeakPolarHBondContact OD1-CA 3.37Å; D185-T187 WeakPolarHBondContact OD1-CB 3.28Å; D185-T187 PolarHBondContact OD1-N 3.42Å; D185-T187 PolarHBondContact OD1-OG1 3.05Å; D185-E188 PolarHBondContact O-N 3.05Å; D185-E188 PolarHBondContact OD1-N 2.72Å; D185-E188 VanDerWaalsContact OD1-N 3.07Å; D185-E188 WeakPolarHBondContact OD2-CB 3.33Å; D185-R189 VanDerWaalsContact O-CB 3.29Å; D185-R189 WeakPolarHBondContact O-CB 3.47Å; D185-R189 PolarHBondContact O-N 3.06Å
186K89.8Confident93.7Very high145 Ų14569 Ų6963%0.6333%0.327SS*.Hα-helixtrans-61.3-32.8-173.5-176.3178.5179.7178.50112.8K190K186-K190 WeakPolarHBondContact O-CG 3.49Å; K186-K190 PolarHBondContact O-N 3.1Å
187T89.1Confident93.7Very high66 Ų6668 Ų6841%0.40531%0.313SS..Hα-helixtrans-76.7-53-177.3-49.90000109.6P57 D185 R189 K190 I191P57-T187 HydrophobicContact CB-CG2 3.94Å; P57-T187 HydrophobicContact CG-CG2 3.56Å; D185-T187 PolarHBondContact O-N 3.2Å; D185-T187 WeakPolarHBondContact OD1-CA 3.37Å; D185-T187 WeakPolarHBondContact OD1-CB 3.28Å; D185-T187 PolarHBondContact OD1-N 3.42Å; D185-T187 PolarHBondContact OD1-OG1 3.05Å; T187-R189 VanDerWaalsContact C-N 3.34Å; T187-R189 PolarHBondContact O-N 3.22Å; T187-K190 WeakPolarHBondContact O-CB 3.49Å; T187-K190 PolarHBondContact O-N 3.08Å; T187-K190 VanDerWaalsContact O-N 3.13Å; T187-I191 WeakPolarHBondContact O-CG1 3.47Å; T187-I191 PolarHBondContact O-N 3.14Å
188E91.6Very high93.9Very high79 Ų7964.7 Ų64.737%0.36930%0.298SS..Hα-helixtrans-56.4-48.2177.1-173.2-163.2167.600111.1K184 D185 K190 I191 L192K184-E188 IonicContact NZ-OE1 2.74Å; K184-E188 PolarHBondContact NZ-OE1 2.64Å; D185-E188 PolarHBondContact O-N 3.05Å; D185-E188 PolarHBondContact OD1-N 2.72Å; D185-E188 VanDerWaalsContact OD1-N 3.07Å; D185-E188 WeakPolarHBondContact OD2-CB 3.33Å; E188-K190 VanDerWaalsContact C-N 3.29Å; E188-K190 PolarHBondContact O-N 3.41Å; E188-I191 PolarHBondContact O-N 3.27Å; E188-I191 VanDerWaalsContact O-N 3.07Å; E188-L192 HydrophobicContact CG-CD1 3.87Å; E188-L192 HydrophobicContact CG-CG 4.42Å; E188-L192 WeakPolarHBondContact O-CG 3.29Å; E188-L192 PolarHBondContact O-N 3.33Å
189R92.4Very high94.1Very high45 Ų4565 Ų6517%0.1730%0.298CS..Hα-helixtrans-56.9-40.7177.5-179.5175.356.4-157.1-7112.7D181 K184 D185 T187 I191 L192 D193D181-R189 WeakPolarHBondContact O-CD 3.34Å; K184-R189 HydrophobicContact CB-CB 4.4Å; D185-R189 VanDerWaalsContact O-CB 3.29Å; D185-R189 WeakPolarHBondContact O-CB 3.47Å; D185-R189 PolarHBondContact O-N 3.06Å; T187-R189 VanDerWaalsContact C-N 3.34Å; T187-R189 PolarHBondContact O-N 3.22Å; R189-I191 VanDerWaalsContact C-N 3.31Å; R189-I191 PolarHBondContact O-N 3.22Å; R189-L192 PolarHBondContact O-N 3.39Å; R189-D193 WeakPolarHBondContact O-CB 3.37Å; R189-D193 PolarHBondContact O-N 2.93Å
190K90.9Very high94.2Very high72 Ų7259.9 Ų59.931%0.31328%0.276SS..Hα-helixtrans-63.5-37.7178.3-83.3-178.3173.8-1660112.3K186 T187 E188 S194K186-K190 WeakPolarHBondContact O-CG 3.49Å; K186-K190 PolarHBondContact O-N 3.1Å; T187-K190 WeakPolarHBondContact O-CB 3.49Å; T187-K190 PolarHBondContact O-N 3.08Å; T187-K190 VanDerWaalsContact O-N 3.13Å; E188-K190 VanDerWaalsContact C-N 3.29Å; E188-K190 PolarHBondContact O-N 3.41Å; K190-S194 PolarHBondContact O-N 3.22Å; K190-S194 PolarHBondContact O-OG 2.75Å
191I92.7Very high94.4Very high35 Ų3555.5 Ų55.518%0.17925%0.254CS..Hα-helixtrans-69.1-49.7178.9-59.4179.5000109.2P57 T187 E188 R189 D193 S194 Q195P57-I191 HydrophobicContact CB-CD1 4.41Å; P57-I191 HydrophobicContact CG-CD1 3.87Å; P57-I191 HydrophobicContact CG-CG1 4.06Å; T187-I191 WeakPolarHBondContact O-CG1 3.47Å; T187-I191 PolarHBondContact O-N 3.14Å; E188-I191 PolarHBondContact O-N 3.27Å; E188-I191 VanDerWaalsContact O-N 3.07Å; R189-I191 VanDerWaalsContact C-N 3.31Å; R189-I191 PolarHBondContact O-N 3.22Å; I191-D193 PolarHBondContact O-N 3.19Å; I191-S194 PolarHBondContact O-N 2.9Å; I191-S194 VanDerWaalsContact O-N 3.07Å; I191-S194 PolarHBondContact O-OG 2.84Å; I191-Q195 HydrophobicContact CG2-CG 4.4Å; I191-Q195 WeakPolarHBondContact O-CG 3.46Å; I191-Q195 PolarHBondContact O-N 3.1Å
192L94.8Very high94.7Very high52 Ų5254.7 Ų54.727%0.27225%0.25SC..Hα-helixtrans-60.3-45.3179.4-69.1169.9000112.5K184 E188 R189 S194 Q195 E196K184-L192 HydrophobicContact CD-CD1 3.46Å; K184-L192 VanDerWaalsContact CD-CD1 3.46Å; E188-L192 HydrophobicContact CG-CD1 3.87Å; E188-L192 HydrophobicContact CG-CG 4.42Å; E188-L192 WeakPolarHBondContact O-CG 3.29Å; E188-L192 PolarHBondContact O-N 3.33Å; R189-L192 PolarHBondContact O-N 3.39Å; L192-S194 PolarHBondContact O-N 3.13Å; L192-Q195 PolarHBondContact O-N 3.28Å; L192-E196 PolarHBondContact O-N 3.23Å
193D94.6Very high95Very high10 Ų1047.6 Ų47.65%0.05322%0.224CC..Hα-helixtrans-56.2-40.1175.1-67.7-23.6000111R145 L146 R189 I191 R197R145-D193 IonicContact CZ-OD2 2.86Å; R145-D193 VanDerWaalsContact CZ-OD2 3.24Å; R145-D193 IonicContact NH1-OD2 3.37Å; R145-D193 PolarHBondContact NH1-OD2 3.39Å; R145-D193 IonicContact NH2-OD2 2.8Å; R145-D193 PolarHBondContact NH2-OD2 2.86Å; L146-D193 HydrophobicContact CD2-CB 4.22Å; R189-D193 WeakPolarHBondContact O-CB 3.37Å; R189-D193 PolarHBondContact O-N 2.93Å; I191-D193 PolarHBondContact O-N 3.19Å; D193-R197 WeakPolarHBondContact O-CB 3.47Å; D193-R197 PolarHBondContact O-N 3.05Å
194S95.8Very high95.2Very high14 Ų1441.5 Ų41.510%0.09820%0.195CC..Hα-helixtrans-74.6-33.7-179.570.60000113.4F95 R112 K190 I191 L192 A198F95-S194 WeakPolarHBondContact CE2-O 3.14Å; R112-S194 WeakPolarHBondContact CD-OG 3.47Å; K190-S194 PolarHBondContact O-N 3.22Å; K190-S194 PolarHBondContact O-OG 2.75Å; I191-S194 PolarHBondContact O-N 2.9Å; I191-S194 VanDerWaalsContact O-N 3.07Å; I191-S194 PolarHBondContact O-OG 2.84Å; L192-S194 PolarHBondContact O-N 3.13Å; S194-A198 WeakPolarHBondContact O-CB 3.43Å; S194-A198 PolarHBondContact O-N 3.4Å
195Q97.8Very high95.3Very high28 Ų2839.8 Ų39.813%0.13119%0.191CC..Hα-helixtrans-69-43.4175.4-77.2178.2-30.800111.5F95 Q114 F118 I191 L192 A198 F199F95-Q195 HydrophobicContact CE1-CG 4.15Å; F95-Q195 HydrophobicContact CZ-CB 4.42Å; F95-Q195 HydrophobicContact CZ-CG 3.8Å; Q114-Q195 PolarHBondContact NE2-O 3.34Å; Q114-Q195 VanDerWaalsContact OE1-CB 3.27Å; F118-Q195 HydrophobicContact CD2-CB 4.29Å; F118-Q195 HydrophobicContact CE2-CB 4.17Å; I191-Q195 HydrophobicContact CG2-CG 4.4Å; I191-Q195 WeakPolarHBondContact O-CG 3.46Å; I191-Q195 PolarHBondContact O-N 3.1Å; L192-Q195 PolarHBondContact O-N 3.28Å; Q195-A198 PolarHBondContact O-N 3.43Å; Q195-F199 PolarHBondContact O-N 3.34Å
196E97.8Very high95.5Very high38 Ų3837.1 Ų37.118%0.17818%0.178CC..Hα-helixtrans-66.2-38.5174.9-170.5-177.5-16100111.5F118 Y134 K137 L192 F199 W200F118-E196 HydrophobicContact CZ-CB 4.49Å; Y134-E196 HydrophobicContact CD2-CG 3.83Å; Y134-E196 HydrophobicContact CE2-CB 4.46Å; Y134-E196 HydrophobicContact CE2-CG 3.85Å; K137-E196 WeakPolarHBondContact CE-OE2 3.3Å; K137-E196 IonicContact NZ-OE1 3.76Å; K137-E196 PolarHBondContact NZ-OE1 3.21Å; K137-E196 IonicContact NZ-OE2 2.69Å; K137-E196 PolarHBondContact NZ-OE2 2.82Å; L192-E196 PolarHBondContact O-N 3.23Å; E196-F199 WeakPolarHBondContact O-CB 3.49Å; E196-F199 PolarHBondContact O-N 2.87Å; E196-W200 PolarHBondContact O-N 2.96Å; E196-W200 VanDerWaalsContact O-N 3.16Å
197R97.9Very high95.9Very high26 Ų2634.8 Ų34.810%0.09818%0.178CC..Hα-helixtrans-57.4-51.4170.6-179.2-174.161.482.6-14.3111.4P96 I97 D99 Y134 D193 F199 W200 D201P96-R197 PolarHBondContact O-NH2 3.36Å; I97-R197 VanDerWaalsContact C-NH2 3.32Å; I97-R197 PolarHBondContact O-NH2 3.22Å; I97-R197 VanDerWaalsContact O-NH2 3.07Å; D99-R197 PolarHBondContact O-NH1 3.37Å; D99-R197 PolarHBondContact O-NH2 3.27Å; Y134-R197 VanDerWaalsContact OH-CA 3.28Å; Y134-R197 WeakPolarHBondContact OH-CA 3.4Å; Y134-R197 WeakPolarHBondContact OH-CB 3.33Å; D193-R197 WeakPolarHBondContact O-CB 3.47Å; D193-R197 PolarHBondContact O-N 3.05Å; R197-F199 VanDerWaalsContact C-N 3.27Å; R197-F199 PolarHBondContact O-N 3.48Å; R197-W200 CarbonylContact O-C 3.59Å; R197-W200 PolarHBondContact O-N 3.18Å; R197-D201 IonicContact CZ-OD2 2.82Å; R197-D201 IonicContact NH1-OD2 2.82Å; R197-D201 PolarHBondContact NH1-OD2 3.01Å; R197-D201 VanDerWaalsContact O-CG 3.29Å; R197-D201 PolarHBondContact O-N 3.32Å
198A98.4Very high96.2Very high0 Ų035.9 Ų35.90%020%0.202CC..Hα-helixtrans-62.3-33.3-179.300000113.3F95 S194 Q195 D201 V202F95-A198 HydrophobicContact CB-CB 3.63Å; F95-A198 HydrophobicContact CD1-CB 3.37Å; F95-A198 HydrophobicContact CD2-CB 3.57Å; F95-A198 HydrophobicContact CE1-CB 3.81Å; F95-A198 HydrophobicContact CE2-CB 3.98Å; F95-A198 HydrophobicContact CG-CB 3.23Å; F95-A198 HydrophobicContact CZ-CB 4.09Å; S194-A198 WeakPolarHBondContact O-CB 3.43Å; S194-A198 PolarHBondContact O-N 3.4Å; Q195-A198 PolarHBondContact O-N 3.43Å; A198-D201 PolarHBondContact O-N 3.05Å; A198-V202 PolarHBondContact O-N 3.48Å
199F98.5Very high96.4Very high14 Ų1434.6 Ų34.66%0.06120%0.201CC..Hα-helixtrans-59.1-48.9170.2170.3-97.1000111F118 W124 P126 Q195 E196 R197 D201 V202 H203F118-F199 HydrophobicContact CB-CB 4.34Å; F118-F199 HydrophobicContact CB-CD2 4.08Å; F118-F199 HydrophobicContact CD1-CB 3.84Å; F118-F199 HydrophobicContact CD1-CD1 4.45Å; F118-F199 AromaticContact CD1-CD2 3.54Å; F118-F199 HydrophobicContact CD1-CD2 3.54Å; F118-F199 HydrophobicContact CD1-CE2 4.19Å; F118-F199 AromaticContact CD1-CG 3.68Å; F118-F199 HydrophobicContact CD1-CG 3.68Å; F118-F199 HydrophobicContact CE1-CB 4.29Å; F118-F199 HydrophobicContact CE1-CD2 4.37Å; F118-F199 HydrophobicContact CE1-CG 4.15Å; F118-F199 HydrophobicContact CG-CB 4.09Å; F118-F199 HydrophobicContact CG-CD2 4.18Å; F118-F199 HydrophobicContact CG-CG 4.35Å; W124-F199 HydrophobicContact CB-CE2 4Å; W124-F199 HydrophobicContact CB-CZ 4.32Å; W124-F199 AromaticContact CD1-CE2 3.9Å; W124-F199 AromaticContact CD2-CE2 3.89Å; W124-F199 HydrophobicContact CD2-CE2 3.89Å; W124-F199 HydrophobicContact CD2-CZ 4.17Å; W124-F199 HydrophobicContact CE3-CE2 4.44Å; W124-F199 HydrophobicContact CE3-CZ 4.27Å; W124-F199 AromaticContact CG-CE2 3.67Å; W124-F199 HydrophobicContact CG-CE2 3.67Å; W124-F199 HydrophobicContact CG-CZ 4.21Å; P126-F199 HydrophobicContact CB-CE1 4.17Å; P126-F199 HydrophobicContact CB-CZ 4Å; P126-F199 HydrophobicContact CG-CE1 4.23Å; P126-F199 HydrophobicContact CG-CZ 3.89Å; Q195-F199 PolarHBondContact O-N 3.34Å; E196-F199 WeakPolarHBondContact O-CB 3.49Å; E196-F199 PolarHBondContact O-N 2.87Å; R197-F199 VanDerWaalsContact C-N 3.27Å; R197-F199 PolarHBondContact O-N 3.48Å; F199-D201 VanDerWaalsContact C-N 3.33Å; F199-D201 PolarHBondContact O-N 3.45Å; F199-V202 WeakPolarHBondContact O-CB 3.37Å; F199-V202 PolarHBondContact O-N 3.43Å; F199-H203 AromaticContact CD2-CD2 3.69Å; F199-H203 AromaticContact CD2-NE2 3.85Å; F199-H203 AromaticContact CE2-CD2 3.37Å; F199-H203 WeakPolarHBondContact CE2-CD2 3.49Å; F199-H203 AromaticContact CE2-NE2 3.29Å; F199-H203 VanDerWaalsContact CE2-NE2 3.29Å; F199-H203 WeakPolarHBondContact CE2-NE2 3.39Å; F199-H203 AromaticContact CZ-CD2 3.62Å; F199-H203 AromaticContact CZ-NE2 3.8Å; F199-H203 PolarHBondContact O-CD2 2.94Å; F199-H203 VanDerWaalsContact O-CD2 3.27Å; F199-H203 PolarHBondContact O-N 3.01Å
200W98.3Very high96.6Very high10 Ų1038.3 Ų38.34%0.03823%0.228CC..Hα-helixtrans-68.6-30.2177.6-72.2113.2000113.6P126 D130 Y131 Y134 E196 R197 V202 H203 R204P126-W200 HydrophobicContact CB-CH2 3.67Å; P126-W200 HydrophobicContact CB-CZ3 3.84Å; P126-W200 HydrophobicContact CG-CH2 4.38Å; P126-W200 HydrophobicContact CG-CZ3 4.05Å; D130-W200 HydrophobicContact CB-CH2 3.82Å; D130-W200 HydrophobicContact CB-CZ2 3.91Å; Y131-W200 VanDerWaalsContact CA-CH2 3.48Å; Y131-W200 AromaticContact CD2-CD2 3.54Å; Y131-W200 HydrophobicContact CD2-CD2 3.54Å; Y131-W200 AromaticContact CD2-CE3 3.4Å; Y131-W200 HydrophobicContact CD2-CE3 3.4Å; Y131-W200 VanDerWaalsContact CD2-CE3 3.4Å; Y131-W200 HydrophobicContact CD2-CG 4.05Å; Y131-W200 HydrophobicContact CD2-CH2 4.24Å; Y131-W200 HydrophobicContact CD2-CZ2 4.37Å; Y131-W200 AromaticContact CD2-CZ3 3.79Å; Y131-W200 HydrophobicContact CD2-CZ3 3.79Å; Y131-W200 HydrophobicContact CE2-CB 4.23Å; Y131-W200 HydrophobicContact CE2-CD2 4.13Å; Y131-W200 HydrophobicContact CE2-CE3 4.08Å; Y131-W200 HydrophobicContact CE2-CG 4.21Å; Y131-W200 HydrophobicContact CG-CD2 4.47Å; Y131-W200 HydrophobicContact CG-CE3 4Å; Y131-W200 HydrophobicContact CG-CH2 4.32Å; Y131-W200 AromaticContact CG-CZ3 3.93Å; Y131-W200 HydrophobicContact CG-CZ3 3.93Å; Y131-W200 VanDerWaalsContact N-CH2 3.3Å; Y134-W200 HydrophobicContact CD1-CB 4.4Å; Y134-W200 AromaticContact CD1-CD1 3.38Å; Y134-W200 HydrophobicContact CD1-CD2 4.38Å; Y134-W200 AromaticContact CD1-CG 3.81Å; Y134-W200 HydrophobicContact CD1-CG 3.81Å; Y134-W200 AromaticContact CD1-NE1 3.71Å; Y134-W200 AromaticContact CD2-CD1 3.45Å; Y134-W200 VanDerWaalsContact CD2-CD1 3.45Å; Y134-W200 AromaticContact CD2-NE1 3.53Å; Y134-W200 HydrophobicContact CE1-CB 4.08Å; Y134-W200 AromaticContact CE1-CD1 3.59Å; Y134-W200 AromaticContact CE1-CG 3.93Å; Y134-W200 HydrophobicContact CE1-CG 3.93Å; Y134-W200 AromaticContact CE2-CD1 3.63Å; Y134-W200 AromaticContact CG-CD1 3.31Å; Y134-W200 HydrophobicContact CG-CG 4.14Å; Y134-W200 AromaticContact CG-NE1 3.24Å; Y134-W200 AromaticContact CZ-CD1 3.69Å; E196-W200 PolarHBondContact O-N 2.96Å; E196-W200 VanDerWaalsContact O-N 3.16Å; R197-W200 CarbonylContact O-C 3.59Å; R197-W200 PolarHBondContact O-N 3.18Å; W200-V202 PolarHBondContact O-N 3.22Å; W200-H203 HydrophobicContact CE3-CB 4.32Å; W200-H203 PolarHBondContact O-N 3.3Å; W200-R204 HydrophobicContact CE3-CG 3.82Å; W200-R204 HydrophobicContact CZ3-CG 4.1Å; W200-R204 CarbonylContact O-C 3.57Å; W200-R204 WeakPolarHBondContact O-CA 3.37Å; W200-R204 WeakPolarHBondContact O-CB 3.4Å; W200-R204 PolarHBondContact O-N 2.82Å
201D98.4Very high96.8Very high6 Ų636.9 Ų36.93%0.03222%0.224CC..Hα-helixtrans-64-25.1174.2-65.3-27.2000112.2H100 L102 R197 A198 F199 P205H100-D201 IonicContact CE1-OD1 2.64Å; H100-D201 IonicContact CG-OD1 3.3Å; H100-D201 IonicContact ND1-OD1 2.82Å; H100-D201 PolarHBondContact ND1-OD1 3.05Å; H100-D201 IonicContact ND1-OD2 3.19Å; L102-D201 HydrophobicContact CD1-CB 3.88Å; L102-D201 HydrophobicContact CD2-CB 4.01Å; L102-D201 HydrophobicContact CG-CB 3.9Å; R197-D201 IonicContact CZ-OD2 2.82Å; R197-D201 IonicContact NH1-OD2 2.82Å; R197-D201 PolarHBondContact NH1-OD2 3.01Å; R197-D201 VanDerWaalsContact O-CG 3.29Å; R197-D201 PolarHBondContact O-N 3.32Å; A198-D201 PolarHBondContact O-N 3.05Å; F199-D201 VanDerWaalsContact C-N 3.33Å; F199-D201 PolarHBondContact O-N 3.45Å; D201-P205 VanDerWaalsContact O-CA 3.25Å; D201-P205 WeakPolarHBondContact O-CA 3.28Å; D201-P205 WeakPolarHBondContact O-CB 3.41Å
202V97.9Very high96.9Very high8 Ų836.5 Ų36.55%0.04822%0.224CC..Hα-helixtrans-77.5-50.6170.4175.50000111.4G92 L102 A198 F199 W200 T213G92-V202 VanDerWaalsContact CA-CG2 3.45Å; L102-V202 HydrophobicContact CD1-CB 4.45Å; L102-V202 HydrophobicContact CD1-CG2 3.47Å; L102-V202 VanDerWaalsContact CD1-CG2 3.47Å; A198-V202 PolarHBondContact O-N 3.48Å; F199-V202 WeakPolarHBondContact O-CB 3.37Å; F199-V202 PolarHBondContact O-N 3.43Å; W200-V202 PolarHBondContact O-N 3.22Å; V202-T213 HydrophobicContact CG1-CG2 3.91Å
203H97.1Very high96.7Very high17 Ų1736.9 Ų36.98%0.07923%0.228CC..Hα-helixtrans-84.6-17.9-169.7-72.6-84.8000114.2W124 P126 F199 W200W124-H203 PolarHBondContact O-CE1 3.35Å; P126-H203 VanDerWaalsContact CD-ND1 3.34Å; P126-H203 WeakPolarHBondContact CD-ND1 3.43Å; P126-H203 HydrophobicContact CG-CB 3.72Å; P126-H203 WeakPolarHBondContact CG-ND1 3.5Å; F199-H203 AromaticContact CD2-CD2 3.69Å; F199-H203 AromaticContact CD2-NE2 3.85Å; F199-H203 AromaticContact CE2-CD2 3.37Å; F199-H203 WeakPolarHBondContact CE2-CD2 3.49Å; F199-H203 AromaticContact CE2-NE2 3.29Å; F199-H203 VanDerWaalsContact CE2-NE2 3.29Å; F199-H203 WeakPolarHBondContact CE2-NE2 3.39Å; F199-H203 AromaticContact CZ-CD2 3.62Å; F199-H203 AromaticContact CZ-NE2 3.8Å; F199-H203 PolarHBondContact O-CD2 2.94Å; F199-H203 VanDerWaalsContact O-CD2 3.27Å; F199-H203 PolarHBondContact O-N 3.01Å; W200-H203 HydrophobicContact CE3-CB 4.32Å; W200-H203 PolarHBondContact O-N 3.3Å
204R97.4Very high96.5Very high54 Ų5443.3 Ų43.320%0.20426%0.258CS..SBendtrans-140.164.9177.9-62.6-64.3-176.8-74.4-4.2108.2P126 N128 Y131 W200P126-R204 PolarHBondContact O-NH2 2.82Å; N128-R204 PolarHBondContact OD1-NH2 3.05Å; Y131-R204 HydrophobicContact CD1-CG 3.8Å; Y131-R204 HydrophobicContact CD2-CG 4.05Å; Y131-R204 HydrophobicContact CE1-CB 4.02Å; Y131-R204 HydrophobicContact CE1-CG 3.78Å; Y131-R204 HydrophobicContact CE2-CB 4.06Å; Y131-R204 HydrophobicContact CE2-CG 4.04Å; Y131-R204 HydrophobicContact CG-CG 3.95Å; W200-R204 HydrophobicContact CE3-CG 3.82Å; W200-R204 HydrophobicContact CZ3-CG 4.1Å; W200-R204 CarbonylContact O-C 3.57Å; W200-R204 WeakPolarHBondContact O-CA 3.37Å; W200-R204 WeakPolarHBondContact O-CB 3.4Å; W200-R204 PolarHBondContact O-N 2.82Å
205P97.2Very high96.1Very high31 Ų3145.6 Ų45.620%0.20127%0.268CS..PPolyproline II helixtrans-64.6157.8-170.128.4-36.2000112.5D201 C209 N211D201-P205 VanDerWaalsContact O-CA 3.25Å; D201-P205 WeakPolarHBondContact O-CA 3.28Å; D201-P205 WeakPolarHBondContact O-CB 3.41Å; P205-C209 HydrophobicContact CB-CB 4.17Å; P205-N211 HydrophobicContact CG-CB 4.14Å
206V97.4Very high95.6Very high29 Ų2947.3 Ų47.318%0.17628%0.278CS..PPolyproline II helixtrans-53.9135171.9-1770000109.3H100 V101 Y151 G208 C209H100-V206 HydrophobicContact CB-CG2 3.56Å; V101-V206 HydrophobicContact CG2-CB 4.42Å; V101-V206 HydrophobicContact CG2-CG1 4.5Å; V101-V206 HydrophobicContact CG2-CG2 4.17Å; Y151-V206 HydrophobicContact CE1-CG1 4.46Å; Y151-V206 HydrophobicContact CE1-CG2 4Å; V206-G208 PolarHBondContact O-N 2.75Å; V206-C209 VanDerWaalsContact O-CB 3.28Å; V206-C209 WeakPolarHBondContact O-CB 3.35Å; V206-C209 PolarHBondContact O-N 3.37Å
207P97.3Very high95.1Very high97 Ų9752 Ų5263%0.6330%0.303SS*.THydrogen-bonded Turntrans-52.5130.3177.2-2835.3000112.4Y151Y151-P207 HydrophobicContact CD2-CG 4.45Å; Y151-P207 HydrophobicContact CG-CG 4.31Å
208G95.5Very high94.4Very high88 Ų8859 Ų5991%0.90733%0.329SS*.THydrogen-bonded Turntrans94.6-16-175.100000114.5V206V206-G208 PolarHBondContact O-N 2.75Å
209C96.5Very high93.7Very high52 Ų5262 Ų6235%0.35134%0.342SS..SBendtrans-78.1149.5169.4-66.10000111.5P205 V206 N211P205-C209 HydrophobicContact CB-CB 4.17Å; V206-C209 VanDerWaalsContact O-CB 3.28Å; V206-C209 WeakPolarHBondContact O-CB 3.35Å; V206-C209 PolarHBondContact O-N 3.37Å; C209-N211 PolarHBondContact O-N 3.49Å
210V96Very high92.8Very high123 Ų12362.9 Ų62.975%0.74535%0.35SS*.  trans-67.5129.9174.2177.90000109.6T212V210-T212 PolarHBondContact O-N 3.17Å
211N95.6Very high91.6Very high42 Ų4270.9 Ų70.923%0.22538%0.38CS..  trans-80.9101.2172-177-5.2000110P205 C209 T213 E214P205-N211 HydrophobicContact CG-CB 4.14Å; C209-N211 PolarHBondContact O-N 3.49Å; N211-T213 PolarHBondContact O-N 3.11Å; N211-T213 WeakPolarHBondContact OD1-CB 3.28Å; N211-T213 PolarHBondContact OD1-N 3.5Å; N211-T213 VanDerWaalsContact OD1-N 3.12Å; N211-T213 PolarHBondContact OD1-OG1 3.07Å; N211-E214 HydrophobicContact CB-CG 3.94Å; N211-E214 PolarHBondContact ND2-OE1 3.35Å; N211-E214 PolarHBondContact O-N 3.43Å
212T94.7Very high90.3Very high27 Ų2776.2 Ų76.217%0.16640%0.4CS..THydrogen-bonded Turntrans-69.9-12.4-176.651.90000114.1A90 V210A90-T212 HydrophobicContact CB-CG2 3.87Å; A90-T212 WeakPolarHBondContact O-CG2 3.43Å; A90-T212 PolarHBondContact O-OG1 3.15Å; V210-T212 PolarHBondContact O-N 3.17Å
213T91.3Very high88.9Confident60 Ų6079.2 Ų79.237%0.36842%0.415SS..THydrogen-bonded Turntrans-83.2-12.2176.372.70000113.3V202 N211V202-T213 HydrophobicContact CG1-CG2 3.91Å; N211-T213 PolarHBondContact O-N 3.11Å; N211-T213 WeakPolarHBondContact OD1-CB 3.28Å; N211-T213 PolarHBondContact OD1-N 3.5Å; N211-T213 VanDerWaalsContact OD1-N 3.12Å; N211-T213 PolarHBondContact OD1-OG1 3.07Å
214E90.9Very high87.3Confident145 Ų14587 Ų8768%0.67845%0.449SS*.  trans-68136.2177.2-71.6179.2-167.400111.4N211N211-E214 HydrophobicContact CB-CG 3.94Å; N211-E214 PolarHBondContact ND2-OE1 3.35Å; N211-E214 PolarHBondContact O-N 3.43Å
215M86.1Confident85.5Confident62 Ų6287.9 Ų87.931%0.30546%0.457SS..  trans-123.6138.1-175.8-179.8164.951.200111.1P21 I217 K219 C220 L223P21-M215 HydrophobicContact CG-SD 4.29Å; M215-I217 PolarHBondContact O-N 3.18Å; M215-K219 HydrophobicContact CG-CB 3.54Å; M215-K219 HydrophobicContact CG-CD 4.17Å; M215-K219 HydrophobicContact SD-CB 3.74Å; M215-C220 HydrophobicContact CE-CB 4.37Å; M215-C220 WeakPolarHBondContact CE-SG 3.35Å; M215-L223 HydrophobicContact CE-CD1 3.28Å; M215-L223 HydrophobicContact SD-CD1 3.69Å
216D88.6Confident83.5Confident65 Ų6589.4 Ų89.435%0.34847%0.467SS..  trans-52.2131.4174.7-178.3-54.2000110.3R218 K219 C220D216-R218 PolarHBondContact O-N 3.44Å; D216-R218 WeakPolarHBondContact OD1-CA 3.21Å; D216-R218 WeakPolarHBondContact OD1-CB 3.48Å; D216-R218 WeakPolarHBondContact OD1-CG 3.36Å; D216-R218 PolarHBondContact OD1-N 3.38Å; D216-R218 IonicContact OD1-NE 3.07Å; D216-R218 PolarHBondContact OD1-NE 3.47Å; D216-R218 IonicContact OD2-CZ 2.9Å; D216-R218 IonicContact OD2-NE 3.81Å; D216-R218 PolarHBondContact OD2-NE 3.08Å; D216-R218 IonicContact OD2-NH2 3.6Å; D216-R218 PolarHBondContact OD2-NH2 3.11Å; D216-K219 HydrophobicContact CB-CB 4.44Å; D216-K219 HydrophobicContact CB-CD 4.3Å; D216-K219 HydrophobicContact CB-CG 4.35Å; D216-K219 WeakPolarHBondContact O-CA 3.33Å; D216-K219 VanDerWaalsContact O-CB 3.29Å; D216-K219 WeakPolarHBondContact O-CB 3.5Å; D216-K219 PolarHBondContact O-N 3.43Å; D216-C220 PolarHBondContact O-N 3.33Å; D216-C220 PolarHBondContact O-SG 3.42Å
217I86.6Confident81.4Confident135 Ų13594.3 Ų94.369%0.69249%0.488SS*.Hα-helixtrans-54.2-31.4-177.6-171.759000113.2M215 C220 R221M215-I217 PolarHBondContact O-N 3.18Å; I217-C220 HydrophobicContact CD1-CB 4.48Å; I217-C220 PolarHBondContact O-N 3Å; I217-R221 WeakPolarHBondContact O-CB 3.48Å; I217-R221 PolarHBondContact O-N 3.15Å
218R83.4Confident79.1Confident175 Ų17596.4 Ų96.466%0.6649%0.487SS*.Hα-helixtrans-68.6-38.7175.2-58.9174.8-73.1-166.6-2.3111D216 R221 R222D216-R218 PolarHBondContact O-N 3.44Å; D216-R218 WeakPolarHBondContact OD1-CA 3.21Å; D216-R218 WeakPolarHBondContact OD1-CB 3.48Å; D216-R218 WeakPolarHBondContact OD1-CG 3.36Å; D216-R218 PolarHBondContact OD1-N 3.38Å; D216-R218 IonicContact OD1-NE 3.07Å; D216-R218 PolarHBondContact OD1-NE 3.47Å; D216-R218 IonicContact OD2-CZ 2.9Å; D216-R218 IonicContact OD2-NE 3.81Å; D216-R218 PolarHBondContact OD2-NE 3.08Å; D216-R218 IonicContact OD2-NH2 3.6Å; D216-R218 PolarHBondContact OD2-NH2 3.11Å; R218-R221 PolarHBondContact O-N 3.11Å; R218-R222 VanDerWaalsContact O-CG 3.3Å; R218-R222 WeakPolarHBondContact O-CG 3.28Å; R218-R222 PolarHBondContact O-N 3.38Å; R218-R222 VanDerWaalsContact O-N 3.15Å
219K82.9Confident76.9Confident63 Ų6395.5 Ų95.527%0.27446%0.464SS..Hα-helixtrans-65.8-44.3172.9-75.9177.6170.5-172.10110.8P21 N22 M215 D216 R221 R222 L223P21-K219 HydrophobicContact CB-CB 4.08Å; P21-K219 HydrophobicContact CB-CD 3.9Å; P21-K219 HydrophobicContact CB-CG 3.83Å; P21-K219 HydrophobicContact CG-CB 3.98Å; P21-K219 HydrophobicContact CG-CG 4.27Å; N22-K219 PolarHBondContact OD1-NZ 3.03Å; M215-K219 HydrophobicContact CG-CB 3.54Å; M215-K219 HydrophobicContact CG-CD 4.17Å; M215-K219 HydrophobicContact SD-CB 3.74Å; D216-K219 HydrophobicContact CB-CB 4.44Å; D216-K219 HydrophobicContact CB-CD 4.3Å; D216-K219 HydrophobicContact CB-CG 4.35Å; D216-K219 WeakPolarHBondContact O-CA 3.33Å; D216-K219 VanDerWaalsContact O-CB 3.29Å; D216-K219 WeakPolarHBondContact O-CB 3.5Å; D216-K219 PolarHBondContact O-N 3.43Å; K219-R221 VanDerWaalsContact C-N 3.32Å; K219-R221 PolarHBondContact O-N 3.26Å; K219-R222 VanDerWaalsContact CG-NH2 3.33Å; K219-R222 PolarHBondContact O-N 2.88Å; K219-R222 VanDerWaalsContact O-N 3.17Å; K219-L223 PolarHBondContact O-N 3.41Å; K219-L223 VanDerWaalsContact O-N 3.07Å
220C79.5Confident74.5Confident32 Ų3299.6 Ų99.622%0.21648%0.476CS..Hα-helixtrans-57.5-43.1174.6-600000112.5M215 D216 I217 R222 L223 K224M215-C220 HydrophobicContact CE-CB 4.37Å; M215-C220 WeakPolarHBondContact CE-SG 3.35Å; D216-C220 PolarHBondContact O-N 3.33Å; D216-C220 PolarHBondContact O-SG 3.42Å; I217-C220 HydrophobicContact CD1-CB 4.48Å; I217-C220 PolarHBondContact O-N 3Å; C220-R222 PolarHBondContact O-N 3.24Å; C220-L223 PolarHBondContact O-N 2.96Å; C220-K224 WeakPolarHBondContact O-CG 3.36Å; C220-K224 PolarHBondContact O-N 3.2Å; C220-K224 VanDerWaalsContact O-N 3.11Å
221R73.1Confident72.1Confident178 Ų178101.3 Ų101.367%0.67247%0.473SS*.Hα-helixtrans-65.1-38.2178.1-172-179.7-177.1-140.64.2112.3I217 R218 K219 K224 N225I217-R221 WeakPolarHBondContact O-CB 3.48Å; I217-R221 PolarHBondContact O-N 3.15Å; R218-R221 PolarHBondContact O-N 3.11Å; K219-R221 VanDerWaalsContact C-N 3.32Å; K219-R221 PolarHBondContact O-N 3.26Å; R221-K224 PolarHBondContact O-N 3.39Å; R221-N225 PolarHBondContact O-N 3.45Å; R221-N225 VanDerWaalsContact O-N 3.15Å
222R70.5Confident69.4Low118 Ų118103.9 Ų103.945%0.44549%0.494SS..Hα-helixtrans-64.7-44.3177.2-71.8-170.8-77.8172.8-5.5111.4R218 K219 C220 K224 N225 V229R218-R222 VanDerWaalsContact O-CG 3.3Å; R218-R222 WeakPolarHBondContact O-CG 3.28Å; R218-R222 PolarHBondContact O-N 3.38Å; R218-R222 VanDerWaalsContact O-N 3.15Å; K219-R222 VanDerWaalsContact CG-NH2 3.33Å; K219-R222 PolarHBondContact O-N 2.88Å; K219-R222 VanDerWaalsContact O-N 3.17Å; C220-R222 PolarHBondContact O-N 3.24Å; R222-K224 VanDerWaalsContact C-N 3.34Å; R222-K224 PolarHBondContact O-N 3.08Å; R222-N225 CarbonylContact O-C 3.58Å; R222-N225 VanDerWaalsContact O-C 3.27Å; R222-N225 PolarHBondContact O-N 2.92Å; R222-V229 HydrophobicContact CB-CG2 3.91Å; R222-V229 HydrophobicContact CG-CG1 4.26Å; R222-V229 HydrophobicContact CG-CG2 3.55Å
223L68.8Low66.8Low71 Ų71108.1 Ų108.137%0.37252%0.52SS..Hα-helixtrans-58.1-43.7174.4-87.8163.4000113P21 M215 K219 C220 N225P21-L223 VanDerWaalsContact CD-CG 3.47Å; P21-L223 HydrophobicContact CG-CD1 3.89Å; P21-L223 HydrophobicContact CG-CG 3.85Å; M215-L223 HydrophobicContact CE-CD1 3.28Å; M215-L223 HydrophobicContact SD-CD1 3.69Å; K219-L223 PolarHBondContact O-N 3.41Å; K219-L223 VanDerWaalsContact O-N 3.07Å; C220-L223 PolarHBondContact O-N 2.96Å; L223-N225 VanDerWaalsContact C-N 3.26Å; L223-N225 PolarHBondContact O-N 3.23Å
224K65Low64.4Low181 Ų181116 Ų11679%0.78754%0.544SS*.Hα-helixtrans-75.9-11.2180-68-176.7179.6-174.80113.9C220 R221 R222C220-K224 WeakPolarHBondContact O-CG 3.36Å; C220-K224 PolarHBondContact O-N 3.2Å; C220-K224 VanDerWaalsContact O-N 3.11Å; R221-K224 PolarHBondContact O-N 3.39Å; R222-K224 VanDerWaalsContact C-N 3.34Å; R222-K224 PolarHBondContact O-N 3.08Å
225N58.3Low61.9Low72 Ų72111.8 Ų111.839%0.38554%0.54SS..  trans-151.460.6-173-117.1-28.5000112.5R221 R222 L223 Q227 K228R221-N225 PolarHBondContact O-N 3.45Å; R221-N225 VanDerWaalsContact O-N 3.15Å; R222-N225 CarbonylContact O-C 3.58Å; R222-N225 VanDerWaalsContact O-C 3.27Å; R222-N225 PolarHBondContact O-N 2.92Å; L223-N225 VanDerWaalsContact C-N 3.26Å; L223-N225 PolarHBondContact O-N 3.23Å; N225-Q227 PolarHBondContact O-N 3.43Å; N225-Q227 VanDerWaalsContact O-N 3.08Å; N225-K228 PolarHBondContact O-N 3.36Å; N225-K228 VanDerWaalsContact O-N 3.11Å
226P54.8Low59.5Low62 Ų62115.6 Ų115.640%0.40357%0.567SS.*Hα-helixtrans-59.1-28.1-173.320.1-30.7000113K228 V229P226-K228 PolarHBondContact O-N 2.94Å; P226-V229 PolarHBondContact O-N 3.49Å
227Q53.9Low57.1Low133 Ų133118.4 Ų118.462%0.62159%0.586SS**Hα-helixtrans-70.9-24.1-179.7-59.7-160.1-3.500114.8N225N225-Q227 PolarHBondContact O-N 3.43Å; N225-Q227 VanDerWaalsContact O-N 3.08Å
228K48.7Very low54.8Low141 Ų141118 Ų11861%0.61359%0.585SS**Hα-helixtrans-81.8-16.2-179.9-71.2-170.7178.1-175.10113.5N225 P226N225-K228 PolarHBondContact O-N 3.36Å; N225-K228 VanDerWaalsContact O-N 3.11Å; P226-K228 PolarHBondContact O-N 2.94Å
229V49.1Very low52.7Low68 Ų68118.2 Ų118.241%0.41259%0.594SS.*Hα-helixtrans-81.5-20.6-177.5-166.20000111.8R222 P226 K231R222-V229 HydrophobicContact CB-CG2 3.91Å; R222-V229 HydrophobicContact CG-CG1 4.26Å; R222-V229 HydrophobicContact CG-CG2 3.55Å; P226-V229 PolarHBondContact O-N 3.49Å; V229-K231 PolarHBondContact O-N 2.95Å
230K46.6Very low50.6Low138 Ų138120.5 Ų120.560%0.661%0.613SS**THydrogen-bonded Turntrans-65.9-2.7174.9-64.2-173.4178.1-177.60113.7E17E17-K230 VanDerWaalsContact OE1-CE 3.26Å; E17-K230 WeakPolarHBondContact OE1-CE 3.47Å; E17-K230 IonicContact OE1-NZ 2.66Å; E17-K230 PolarHBondContact OE1-NZ 3.16Å; E17-K230 IonicContact OE2-NZ 2.89Å; E17-K230 PolarHBondContact OE2-NZ 3.37Å
231K46.8Very low48.6Very low160 Ų160128.3 Ų128.370%0.69665%0.647SS**SBendtrans-117.764.9177.8-70.5-172.2175.7-174.30112.4V229V229-K231 PolarHBondContact O-N 2.95Å
232S38.1Very low47Very low96 Ų96124.9 Ų124.967%0.67165%0.65SS**  trans-178128.1153.9-1640000107.6
233V39.6Very low45.3Very low116 Ų116128.6 Ų128.670%0.70367%0.672SS**SBend-136.5-3.160.1170.90000114.2
234Y40.7Very low43.6Very low224 Ų224130.2 Ų130.288%0.87869%0.69SS**SBendtrans-130.67.7176.3-67.2-77.5000114.8
235G39.8Very low42.3Very low57 Ų57127.9 Ų127.959%0.58869%0.693SS**SBendtrans-89.7116.3178.700000111.2T237G235-T237 PolarHBondContact O-N 3.22Å
236V35.2Very low41.2Very low143 Ų143130.2 Ų130.287%0.86771%0.71SS**  trans-46126.6169.7178.40000110D238V236-D238 PolarHBondContact O-N 2.63Å
237T38.1Very low40.5Very low123 Ų123136 Ų13676%0.75573%0.731SS**  trans-67.5121.6174.633.70000110.1G235G235-T237 PolarHBondContact O-N 3.22Å
238D37.5Very low39.6Very low126 Ų126135.5 Ų135.567%0.67473%0.731SS**  trans-99.8106166.2-137.6-12.3000107.9V236 T240V236-D238 PolarHBondContact O-N 2.63Å; D238-T240 PolarHBondContact O-N 3.25Å
239E39.7Very low39.2Very low180 Ų180133.6 Ų133.684%0.84173%0.733SS**  trans-78.881.6175.1-83.1-89.6147.400108.7
240T39.9Very low38.8Very low111 Ų111135.6 Ų135.668%0.68175%0.75SS**  trans-162.693.6158.927.50000109.4D238D238-T240 PolarHBondContact O-N 3.25Å
241Q35.7Very low38.7Very low197 Ų197135.1 Ų135.192%0.92175%0.75SS**  trans-176.6105.3143.3-102.4162.228.400110.3
242S39.7Very low38.7Very low106 Ų106133 Ų13374%0.74175%0.752SS**  trans-66.4132.615140.80000108.7
243Q36.5Very low39.3Very low195 Ų195135.8 Ų135.891%0.91176%0.758SS**  trans173.1149.7134.3-92.7170.82300114.5
244S32.4Very low40.4Very low105 Ų105139.6 Ų139.673%0.73476%0.76SS**  trans-49.2162.9-175.6-70.90000118V246S244-V246 PolarHBondContact O-N 3.32Å
245P37.3Very low42Very low132 Ų132137.8 Ų137.886%0.85776%0.757SS**  trans-82.999.1-177.833.3-29.8000110.4
246V34.3Very low44Very low121 Ų121140.3 Ų140.373%0.73376%0.761SS**  trans-119.9130.5163.4-177.60000108.2S244 I248S244-V246 PolarHBondContact O-N 3.32Å; V246-I248 PolarHBondContact O-N 3.02Å
247H40.3Very low46.6Very low184 Ų184135.9 Ų135.985%0.85273%0.734SS**  trans-51.1122.2177.3-162.266.9000110.6
248I35.1Very low49.2Very low122 Ų122136.9 Ų136.963%0.62673%0.728SS**  trans-117.6127.8172.2-56.6178000107.2V246 Q251V246-I248 PolarHBondContact O-N 3.02Å; I248-Q251 HydrophobicContact CG2-CG 4.16Å
249P40.4Very low51.8Low102 Ų102135.1 Ų135.166%0.66272%0.719SS**  trans-63.1147.8174.5-11.425.7000110.3Q251P249-Q251 PolarHBondContact O-N 3.18Å
250S40.9Very low54.2Low109 Ų109129 Ų12976%0.76269%0.692SS**  trans-28.2103.7174.853.10000112.9
251Q44.5Very low56.7Low129 Ų129128.1 Ų128.160%0.60368%0.682SS**  trans-72.5141.7175.9-74.9-145.4-12.600110.4I248 P249I248-Q251 HydrophobicContact CG2-CG 4.16Å; P249-Q251 PolarHBondContact O-N 3.18Å
252P46.9Very low59.5Low114 Ų114124.9 Ų124.974%0.7466%0.661SS**  trans-63.8148.5178.926.1-32.5000111R254P252-R254 PolarHBondContact O-N 3.28Å
253I50.4Low62Low155 Ų155126.7 Ų126.780%0.79566%0.656SS**  trans-38.5113.2175.6-62.1166000109.8K255I253-K255 PolarHBondContact O-N 2.82Å
254R63.9Low64.7Low196 Ų196122.2 Ų122.274%0.7464%0.635SS**  trans-59.5113.7-179.7-174.8179.4179.2-172.5-1.8108.2P252 T256P252-R254 PolarHBondContact O-N 3.28Å; R254-T256 PolarHBondContact O-N 3.43Å
255K74.6Confident67.7Low187 Ų187121.4 Ų121.481%0.81362%0.622SS**PPolyproline II helixtrans-61.1128.3175.3-67.7-177.6178.7179.70108.9I253 T257I253-K255 PolarHBondContact O-N 2.82Å; K255-T257 PolarHBondContact O-N 3.45Å
256T80.5Confident70.4Confident109 Ų109119.8 Ų119.867%0.66961%0.609SS**PPolyproline II helixtrans-52.4123.6177.4-49.90000109.9R254 D260 I261R254-T256 PolarHBondContact O-N 3.43Å; T256-D260 HydrophobicContact CG2-CB 4.07Å; T256-I261 HydrophobicContact CG2-CD1 4.47Å; T256-I261 HydrophobicContact CG2-CG1 3.94Å
257T90.7Very high73.3Confident51 Ų51118.8 Ų118.831%0.31360%0.595SS.*PPolyproline II helixtrans-90.4162.7-178.869.80000111.3K255 D259 D260 I261K255-T257 PolarHBondContact O-N 3.45Å; T257-D259 PolarHBondContact O-N 3.4Å; T257-D260 WeakPolarHBondContact CB-OD2 3.41Å; T257-D260 PolarHBondContact N-OD2 2.97Å; T257-D260 WeakPolarHBondContact O-CB 3.48Å; T257-D260 PolarHBondContact O-N 3.25Å; T257-D260 PolarHBondContact OG1-N 2.93Å; T257-D260 PolarHBondContact OG1-OD2 3.15Å; T257-I261 PolarHBondContact O-N 2.85Å; T257-I261 VanDerWaalsContact O-N 3.16Å
258K91.8Very high75.9Confident144 Ų144113.9 Ų113.963%0.62658%0.575SS**Hα-helixtrans-56.9-35.1173.2-175.1178.5-178.4178.80112.3I261 R262K258-I261 PolarHBondContact O-N 2.98Å; K258-R262 WeakPolarHBondContact O-CG 3.41Å; K258-R262 PolarHBondContact O-N 3.29Å
259D92.8Very high78.8Confident88 Ų88112.1 Ų112.147%0.47157%0.567SS.*Hα-helixtrans-74.6-32.2179.5-66.3-28.2000112.2T257 I261 R262 K263T257-D259 PolarHBondContact O-N 3.4Å; D259-I261 VanDerWaalsContact C-N 3.33Å; D259-R262 PolarHBondContact O-N 3.47Å; D259-R262 IonicContact OD1-CZ 3.62Å; D259-R262 IonicContact OD1-NH1 3.19Å; D259-R262 PolarHBondContact OD1-NH1 2.96Å; D259-K263 WeakPolarHBondContact O-CG 3.48Å; D259-K263 PolarHBondContact O-N 3.04Å
260D89.1Confident81.4Confident53 Ų53109.7 Ų109.728%0.28356%0.555SS.*Hα-helixtrans-63.1-42.4171.4-58.7-43.5000110.7T256 T257 K263 Q264T256-D260 HydrophobicContact CG2-CB 4.07Å; T257-D260 WeakPolarHBondContact CB-OD2 3.41Å; T257-D260 PolarHBondContact N-OD2 2.97Å; T257-D260 WeakPolarHBondContact O-CB 3.48Å; T257-D260 PolarHBondContact O-N 3.25Å; T257-D260 PolarHBondContact OG1-N 2.93Å; T257-D260 PolarHBondContact OG1-OD2 3.15Å; D260-K263 PolarHBondContact O-N 2.96Å; D260-Q264 WeakPolarHBondContact O-CB 3.29Å; D260-Q264 PolarHBondContact O-N 2.96Å
261I92.1Very high83.9Confident92 Ų92107 Ų10747%0.47253%0.531SS..Hα-helixtrans-63.3-43.3175.7-63.3173.1000110.7T256 T257 K258 D259 K263 Q264 I265T256-I261 HydrophobicContact CG2-CD1 4.47Å; T256-I261 HydrophobicContact CG2-CG1 3.94Å; T257-I261 PolarHBondContact O-N 2.85Å; T257-I261 VanDerWaalsContact O-N 3.16Å; K258-I261 PolarHBondContact O-N 2.98Å; D259-I261 VanDerWaalsContact C-N 3.33Å; I261-K263 PolarHBondContact O-N 3.32Å; I261-Q264 WeakPolarHBondContact O-CB 3.41Å; I261-Q264 PolarHBondContact O-N 3Å; I261-I265 HydrophobicContact CG2-CD1 3.95Å; I261-I265 HydrophobicContact CG2-CG1 4.46Å; I261-I265 WeakPolarHBondContact O-CG1 3.48Å; I261-I265 PolarHBondContact O-N 2.95Å
262R94.6Very high86.3Confident128 Ų128107 Ų10748%0.48353%0.533SS..Hα-helixtrans-59.9-46.5176.2-75.3169171.3163.2-13111.8K258 D259 Q264 I265 T266K258-R262 WeakPolarHBondContact O-CG 3.41Å; K258-R262 PolarHBondContact O-N 3.29Å; D259-R262 PolarHBondContact O-N 3.47Å; D259-R262 IonicContact OD1-CZ 3.62Å; D259-R262 IonicContact OD1-NH1 3.19Å; D259-R262 PolarHBondContact OD1-NH1 2.96Å; R262-Q264 VanDerWaalsContact C-N 3.3Å; R262-Q264 PolarHBondContact O-N 3.23Å; R262-I265 PolarHBondContact O-N 2.76Å; R262-T266 PolarHBondContact O-N 3.36Å; R262-T266 PolarHBondContact O-OG1 3.48Å
263K92.8Very high88.5Confident145 Ų145108 Ų10863%0.6353%0.532SS*.Hα-helixtrans-59.9-41.6175.7-73.7177.7179.6-1780111.5D259 D260 I261 T266 F267D259-K263 WeakPolarHBondContact O-CG 3.48Å; D259-K263 PolarHBondContact O-N 3.04Å; D260-K263 PolarHBondContact O-N 2.96Å; I261-K263 PolarHBondContact O-N 3.32Å; K263-T266 PolarHBondContact O-N 3.26Å; K263-F267 WeakPolarHBondContact O-CB 3.26Å; K263-F267 PolarHBondContact O-N 3.28Å
264Q92.7Very high90.6Very high101 Ų101107.1 Ų107.147%0.47252%0.519SS..Hα-helixtrans-63-42.3176.6-170.464.322.100111.8D260 I261 R262 F267 L268D260-Q264 WeakPolarHBondContact O-CB 3.29Å; D260-Q264 PolarHBondContact O-N 2.96Å; I261-Q264 WeakPolarHBondContact O-CB 3.41Å; I261-Q264 PolarHBondContact O-N 3Å; R262-Q264 VanDerWaalsContact C-N 3.3Å; R262-Q264 PolarHBondContact O-N 3.23Å; Q264-F267 PolarHBondContact O-N 2.94Å; Q264-L268 HydrophobicContact CG-CD1 4.03Å; Q264-L268 HydrophobicContact CG-CG 4.42Å; Q264-L268 WeakPolarHBondContact O-CB 3.39Å; Q264-L268 VanDerWaalsContact O-CG 3.24Å; Q264-L268 WeakPolarHBondContact O-CG 3.4Å; Q264-L268 PolarHBondContact O-N 2.84Å
265I95.2Very high92.1Very high88 Ų88106 Ų10645%0.45152%0.521SS..Hα-helixtrans-62.1-48.8175.7-68.7165.6000110.4I261 R262 F267 L268 N269I261-I265 HydrophobicContact CG2-CD1 3.95Å; I261-I265 HydrophobicContact CG2-CG1 4.46Å; I261-I265 WeakPolarHBondContact O-CG1 3.48Å; I261-I265 PolarHBondContact O-N 2.95Å; R262-I265 PolarHBondContact O-N 2.76Å; I265-F267 VanDerWaalsContact C-N 3.31Å; I265-F267 PolarHBondContact O-N 3.47Å; I265-L268 PolarHBondContact O-N 2.91Å; I265-N269 WeakPolarHBondContact O-CB 3.49Å; I265-N269 VanDerWaalsContact O-CG 3.3Å; I265-N269 PolarHBondContact O-N 2.76Å
266T95.8Very high93Very high97 Ų97102 Ų10260%0.59552%0.517SS*.Hα-helixtrans-57.8-45177-58.70000111.4R262 K263 A270R262-T266 PolarHBondContact O-N 3.36Å; R262-T266 PolarHBondContact O-OG1 3.48Å; K263-T266 PolarHBondContact O-N 3.26Å; T266-A270 WeakPolarHBondContact O-CB 3.48Å; T266-A270 PolarHBondContact O-N 3.36Å; T266-A270 VanDerWaalsContact O-N 3.08Å
267F94.1Very high93.7Very high101 Ų101102.7 Ų102.744%0.44352%0.515SS..Hα-helixtrans-60.2-49.7176.8172.6-99.2000111.8K263 Q264 I265 A270 Q271K263-F267 WeakPolarHBondContact O-CB 3.26Å; K263-F267 PolarHBondContact O-N 3.28Å; Q264-F267 PolarHBondContact O-N 2.94Å; I265-F267 VanDerWaalsContact C-N 3.31Å; I265-F267 PolarHBondContact O-N 3.47Å; F267-A270 WeakPolarHBondContact O-CB 3.24Å; F267-A270 PolarHBondContact O-N 3.33Å; F267-Q271 HydrophobicContact CD1-CG 4.08Å; F267-Q271 HydrophobicContact CE1-CG 3.69Å; F267-Q271 HydrophobicContact CE2-CG 4.33Å; F267-Q271 HydrophobicContact CZ-CG 3.83Å; F267-Q271 VanDerWaalsContact CZ-OE1 3.26Å; F267-Q271 VanDerWaalsContact O-CG 3.29Å; F267-Q271 WeakPolarHBondContact O-CG 3.38Å; F267-Q271 PolarHBondContact O-N 3.23Å; F267-Q271 PolarHBondContact O-NE2 2.71Å
268L94.9Very high94.1Very high81 Ų81108 Ų10842%0.42453%0.534SS..Hα-helixtrans-64.6-42-178.6-72.1173.2000112.3Q264 I265 A270 Q271 I272Q264-L268 HydrophobicContact CG-CD1 4.03Å; Q264-L268 HydrophobicContact CG-CG 4.42Å; Q264-L268 WeakPolarHBondContact O-CB 3.39Å; Q264-L268 VanDerWaalsContact O-CG 3.24Å; Q264-L268 WeakPolarHBondContact O-CG 3.4Å; Q264-L268 PolarHBondContact O-N 2.84Å; I265-L268 PolarHBondContact O-N 2.91Å; L268-A270 VanDerWaalsContact C-N 3.32Å; L268-A270 PolarHBondContact O-N 3.22Å; L268-Q271 WeakPolarHBondContact O-CA 3.34Å; L268-Q271 WeakPolarHBondContact O-CB 3.45Å; L268-Q271 PolarHBondContact O-N 2.99Å; L268-I272 WeakPolarHBondContact O-CG1 3.46Å; L268-I272 PolarHBondContact O-N 3.29Å
269N95.9Very high94.4Very high85 Ų85107.4 Ų107.446%0.45554%0.535SS..Hα-helixtrans-57.9-47.1173.9-72.8-14.2000110.6I265 Q271 I272 D273I265-N269 WeakPolarHBondContact O-CB 3.49Å; I265-N269 VanDerWaalsContact O-CG 3.3Å; I265-N269 PolarHBondContact O-N 2.76Å; N269-Q271 PolarHBondContact O-N 3.24Å; N269-I272 WeakPolarHBondContact O-CB 3.46Å; N269-I272 PolarHBondContact O-N 3.3Å; N269-D273 PolarHBondContact O-N 3.08Å; N269-D273 VanDerWaalsContact O-N 3.11Å
270A94.3Very high94.6Very high50 Ų50106.2 Ų106.241%0.41353%0.533SS..Hα-helixtrans-62.7-27.4174.600000113.2T266 F267 L268 R274T266-A270 WeakPolarHBondContact O-CB 3.48Å; T266-A270 PolarHBondContact O-N 3.36Å; T266-A270 VanDerWaalsContact O-N 3.08Å; F267-A270 WeakPolarHBondContact O-CB 3.24Å; F267-A270 PolarHBondContact O-N 3.33Å; L268-A270 VanDerWaalsContact C-N 3.32Å; L268-A270 PolarHBondContact O-N 3.22Å; A270-R274 WeakPolarHBondContact O-CG 3.29Å
271Q94.1Very high95Very high54 Ų54108.9 Ų108.925%0.25254%0.543SS..Hα-helixtrans-72.8-36.3173.5-55.3-47.3-100.400112.1F267 L268 N269 R274F267-Q271 HydrophobicContact CD1-CG 4.08Å; F267-Q271 HydrophobicContact CE1-CG 3.69Å; F267-Q271 HydrophobicContact CE2-CG 4.33Å; F267-Q271 HydrophobicContact CZ-CG 3.83Å; F267-Q271 VanDerWaalsContact CZ-OE1 3.26Å; F267-Q271 VanDerWaalsContact O-CG 3.29Å; F267-Q271 WeakPolarHBondContact O-CG 3.38Å; F267-Q271 PolarHBondContact O-N 3.23Å; F267-Q271 PolarHBondContact O-NE2 2.71Å; L268-Q271 WeakPolarHBondContact O-CA 3.34Å; L268-Q271 WeakPolarHBondContact O-CB 3.45Å; L268-Q271 PolarHBondContact O-N 2.99Å; N269-Q271 PolarHBondContact O-N 3.24Å; Q271-R274 VanDerWaalsContact NE2-NH1 3.11Å; Q271-R274 PolarHBondContact O-N 3.03Å
272I94.3Very high95.3Very high128 Ų128106.7 Ų106.766%0.65653%0.534SS*.Hα-helixtrans-67.6-38.5-179.8-68.9165.9000110.6L268 N269 R274L268-I272 WeakPolarHBondContact O-CG1 3.46Å; L268-I272 PolarHBondContact O-N 3.29Å; N269-I272 WeakPolarHBondContact O-CB 3.46Å; N269-I272 PolarHBondContact O-N 3.3Å; I272-R274 PolarHBondContact O-N 2.84Å
273D94.9Very high95.5Very high134 Ų134102.4 Ų102.472%0.71753%0.525SS*.THydrogen-bonded Turntrans-70.7-10.6-179.1-64.9-24.8000113.3N269 H275N269-D273 PolarHBondContact O-N 3.08Å; N269-D273 VanDerWaalsContact O-N 3.11Å; D273-H275 PolarHBondContact O-N 2.81Å
274R94.1Very high95.8Very high138 Ų138100.3 Ų100.352%0.52152%0.518SS..SBendtrans-75.4120.4177.4-68.2-171.6-54.8-141.9-0.9111.3A270 Q271 I272 C276A270-R274 WeakPolarHBondContact O-CG 3.29Å; Q271-R274 VanDerWaalsContact NE2-NH1 3.11Å; Q271-R274 PolarHBondContact O-N 3.03Å; I272-R274 PolarHBondContact O-N 2.84Å; R274-C276 PolarHBondContact O-N 3.17Å; R274-C276 VanDerWaalsContact O-N 3.11Å; R274-C276 PolarHBondContact O-SG 2.63Å; R274-C276 VanDerWaalsContact O-SG 3.41Å
275H94.2Very high96.1Very high171 Ų17199.1 Ų99.179%0.79252%0.521SS*.  trans-65.7111.1175.3-171.1-80.5000111.2D273D273-H275 PolarHBondContact O-N 2.81Å
276C94.4Very high96.2Very high105 Ų105100 Ų10071%0.70953%0.526SS*.PPolyproline II helixtrans-97.2146177.7-63.40000111.4R274R274-C276 PolarHBondContact O-N 3.17Å; R274-C276 VanDerWaalsContact O-N 3.11Å; R274-C276 PolarHBondContact O-SG 2.63Å; R274-C276 VanDerWaalsContact O-SG 3.41Å
277L95.5Very high96.3Very high123 Ų123100 Ų10064%0.64452%0.521SS*.PPolyproline II helixtrans-93.5153.1172-69.4168.8000110.8V282L277-V282 HydrophobicContact CB-CG2 3.73Å; L277-V282 HydrophobicContact CD1-CG2 4.47Å
278K98Very high96.5Very high162 Ų16297.7 Ų97.770%0.70452%0.521SS*.PPolyproline II helixtrans-62.8140.7171.6-68.6-174.8178.7-178.70110S280 K281 V282K278-S280 PolarHBondContact O-N 3.12Å; K278-K281 HydrophobicContact CB-CG 4.47Å; K278-K281 PolarHBondContact O-N 2.81Å; K278-V282 PolarHBondContact O-N 3.07Å
279M97.8Very high96.7Very high131 Ų13199.7 Ų99.765%0.64552%0.523SS*.Hα-helixtrans-58.7-35.5-179.1-165.461.7-117.400112.9K281 V282 A283M279-K281 VanDerWaalsContact C-N 3.32Å; M279-K281 PolarHBondContact O-N 3.31Å; M279-V282 HydrophobicContact CE-CB 3.7Å; M279-V282 HydrophobicContact CE-CG1 3.66Å; M279-V282 PolarHBondContact O-N 2.95Å; M279-A283 HydrophobicContact CE-CB 4.35Å; M279-A283 WeakPolarHBondContact O-CB 3.34Å; M279-A283 PolarHBondContact O-N 3.46Å
280S98Very high96.8Very high63 Ų6399.7 Ų99.744%0.44153%0.527SS..Hα-helixtrans-59.4-42.317453.80000112.3K278 A283 E284K278-S280 PolarHBondContact O-N 3.12Å; S280-A283 PolarHBondContact O-N 2.83Å; S280-E284 WeakPolarHBondContact O-CB 3.42Å; S280-E284 VanDerWaalsContact O-CG 3.23Å; S280-E284 WeakPolarHBondContact O-CG 3.49Å; S280-E284 PolarHBondContact O-N 2.95Å
281K98.3Very high97Very high109 Ų109103.8 Ų103.847%0.47454%0.537SS..Hα-helixtrans-69.6-37.6177.9-67.6-52.7-176.5-170.70113K278 M279 E284 S285K278-K281 HydrophobicContact CB-CG 4.47Å; K278-K281 PolarHBondContact O-N 2.81Å; M279-K281 VanDerWaalsContact C-N 3.32Å; M279-K281 PolarHBondContact O-N 3.31Å; K281-E284 WeakPolarHBondContact CD-OE2 3.48Å; K281-E284 IonicContact NZ-OE1 3.69Å; K281-E284 IonicContact NZ-OE2 2.79Å; K281-E284 PolarHBondContact NZ-OE2 3.03Å; K281-S285 WeakPolarHBondContact O-CB 3.25Å; K281-S285 PolarHBondContact O-N 3.41Å; K281-S285 VanDerWaalsContact O-N 3.08Å; K281-S285 PolarHBondContact O-OG 3.07Å
282V98.3Very high97.1Very high47 Ų47104.9 Ų104.929%0.28554%0.542SS..Hα-helixtrans-64.3-47.7173.7176.70000110.3L277 K278 M279 S285 L286L277-V282 HydrophobicContact CB-CG2 3.73Å; L277-V282 HydrophobicContact CD1-CG2 4.47Å; K278-V282 PolarHBondContact O-N 3.07Å; M279-V282 HydrophobicContact CE-CB 3.7Å; M279-V282 HydrophobicContact CE-CG1 3.66Å; M279-V282 PolarHBondContact O-N 2.95Å; V282-S285 PolarHBondContact O-N 3.11Å; V282-L286 HydrophobicContact CG1-CD1 3.94Å; V282-L286 HydrophobicContact CG1-CG 4.41Å; V282-L286 WeakPolarHBondContact O-CG 3.4Å; V282-L286 PolarHBondContact O-N 2.8Å
283A98.5Very high97.3Very high37 Ų37100.1 Ų100.131%0.30652%0.517SS..Hα-helixtrans-62.2-49.6179.300000112.2M279 S280 S285 L286 I287M279-A283 HydrophobicContact CE-CB 4.35Å; M279-A283 WeakPolarHBondContact O-CB 3.34Å; M279-A283 PolarHBondContact O-N 3.46Å; S280-A283 PolarHBondContact O-N 2.83Å; A283-S285 VanDerWaalsContact C-N 3.26Å; A283-S285 PolarHBondContact O-N 2.99Å; A283-L286 PolarHBondContact O-N 2.74Å; A283-I287 VanDerWaalsContact O-CG1 3.29Å; A283-I287 WeakPolarHBondContact O-CG1 3.36Å; A283-I287 PolarHBondContact O-N 2.89Å
284E98.4Very high97.4Very high101 Ų10196.2 Ų96.247%0.47250%0.497SS..Hα-helixtrans-53.2-44.4175.2-77167.1-158.100111.3S280 K281 A288S280-E284 WeakPolarHBondContact O-CB 3.42Å; S280-E284 VanDerWaalsContact O-CG 3.23Å; S280-E284 WeakPolarHBondContact O-CG 3.49Å; S280-E284 PolarHBondContact O-N 2.95Å; K281-E284 WeakPolarHBondContact CD-OE2 3.48Å; K281-E284 IonicContact NZ-OE1 3.69Å; K281-E284 IonicContact NZ-OE2 2.79Å; K281-E284 PolarHBondContact NZ-OE2 3.03Å; E284-A288 WeakPolarHBondContact O-CB 3.23Å; E284-A288 PolarHBondContact O-N 3.27Å
285S98.1Very high97.5Very high77 Ų7794.4 Ų94.454%0.53850%0.495SS..Hα-helixtrans-68.8-41.1-178.7-55.60000112.7K281 V282 A283 Y289K281-S285 WeakPolarHBondContact O-CB 3.25Å; K281-S285 PolarHBondContact O-N 3.41Å; K281-S285 VanDerWaalsContact O-N 3.08Å; K281-S285 PolarHBondContact O-OG 3.07Å; V282-S285 PolarHBondContact O-N 3.11Å; A283-S285 VanDerWaalsContact C-N 3.26Å; A283-S285 PolarHBondContact O-N 2.99Å; S285-Y289 WeakPolarHBondContact O-CB 3.34Å; S285-Y289 PolarHBondContact O-N 2.88Å
286L98.5Very high97.5Very high107 Ų10788.4 Ų88.456%0.5647%0.465SS*.Hα-helixtrans-68.1-39.7178.6-70.4174.4000111.9V282 A283 T290V282-L286 HydrophobicContact CG1-CD1 3.94Å; V282-L286 HydrophobicContact CG1-CG 4.41Å; V282-L286 WeakPolarHBondContact O-CG 3.4Å; V282-L286 PolarHBondContact O-N 2.8Å; A283-L286 PolarHBondContact O-N 2.74Å; L286-T290 WeakPolarHBondContact O-CB 3.34Å; L286-T290 PolarHBondContact O-N 2.91Å; L286-T290 PolarHBondContact O-OG1 3.24Å
287I98.4Very high97.6Very high96 Ų9686.1 Ų86.149%0.49245%0.446SS..Hα-helixtrans-63.1-53175.4-68.2166.9000109.5A283 Y289 T290 E291A283-I287 VanDerWaalsContact O-CG1 3.29Å; A283-I287 WeakPolarHBondContact O-CG1 3.36Å; A283-I287 PolarHBondContact O-N 2.89Å; I287-Y289 VanDerWaalsContact C-N 3.3Å; I287-Y289 PolarHBondContact O-N 2.98Å; I287-T290 PolarHBondContact O-N 3.04Å; I287-E291 HydrophobicContact CG2-CG 4.24Å; I287-E291 WeakPolarHBondContact CG2-OE1 3.38Å; I287-E291 WeakPolarHBondContact O-CG 3.16Å; I287-E291 PolarHBondContact O-N 3.04Å
288A98.3Very high97.6Very high53 Ų5383.5 Ų83.544%0.43844%0.436SS..Hα-helixtrans-59.7-40.4-179.500000112.4E284 Q292E284-A288 WeakPolarHBondContact O-CB 3.23Å; E284-A288 PolarHBondContact O-N 3.27Å; A288-Q292 WeakPolarHBondContact O-CB 3.34Å; A288-Q292 PolarHBondContact O-N 2.91Å
289Y98.1Very high97.5Very high122 Ų12285 Ų8548%0.47844%0.443SS..Hα-helixtrans-61.3-48173.2-176.2-91000110.8S285 I287 E291 Q292 Y293S285-Y289 WeakPolarHBondContact O-CB 3.34Å; S285-Y289 PolarHBondContact O-N 2.88Å; I287-Y289 VanDerWaalsContact C-N 3.3Å; I287-Y289 PolarHBondContact O-N 2.98Å; Y289-E291 PolarHBondContact O-N 3.34Å; Y289-Q292 WeakPolarHBondContact O-CB 3.41Å; Y289-Q292 PolarHBondContact O-N 3.16Å; Y289-Y293 HydrophobicContact CD1-CD2 4.3Å; Y289-Y293 HydrophobicContact CD2-CD2 4.27Å; Y289-Y293 AromaticContact CD2-CE2 3.81Å; Y289-Y293 HydrophobicContact CD2-CE2 3.81Å; Y289-Y293 HydrophobicContact CE1-CD2 4.04Å; Y289-Y293 HydrophobicContact CE1-CE2 4.17Å; Y289-Y293 HydrophobicContact CE2-CD2 4.01Å; Y289-Y293 AromaticContact CE2-CE2 3.34Å; Y289-Y293 HydrophobicContact CE2-CE2 3.34Å; Y289-Y293 AromaticContact CE2-CZ 3.97Å; Y289-Y293 HydrophobicContact CG-CD2 4.41Å; Y289-Y293 HydrophobicContact CG-CE2 4.4Å; Y289-Y293 AromaticContact CZ-CD2 3.87Å; Y289-Y293 AromaticContact CZ-CE2 3.54Å; Y289-Y293 VanDerWaalsContact O-CD2 3.28Å; Y289-Y293 WeakPolarHBondContact O-CD2 3.47Å; Y289-Y293 PolarHBondContact O-N 2.96Å
290T98.3Very high97.5Very high86 Ų8683.9 Ų83.953%0.52844%0.439SS..Hα-helixtrans-61.9-45.7-179.6-54.30000111.8L286 I287 Q292 Y293 V294L286-T290 WeakPolarHBondContact O-CB 3.34Å; L286-T290 PolarHBondContact O-N 2.91Å; L286-T290 PolarHBondContact O-OG1 3.24Å; I287-T290 PolarHBondContact O-N 3.04Å; T290-Q292 VanDerWaalsContact C-N 3.28Å; T290-Q292 PolarHBondContact O-N 2.91Å; T290-Y293 PolarHBondContact O-N 3.24Å; T290-V294 PolarHBondContact O-N 3.29Å
291E97.7Very high97.4Very high135 Ų13583.1 Ų83.163%0.63143%0.432SS*.Hα-helixtrans-60-37.4176.5-71.8175.9169.700112.1I287 Y289 Y293 V294I287-E291 HydrophobicContact CG2-CG 4.24Å; I287-E291 WeakPolarHBondContact CG2-OE1 3.38Å; I287-E291 WeakPolarHBondContact O-CG 3.16Å; I287-E291 PolarHBondContact O-N 3.04Å; Y289-E291 PolarHBondContact O-N 3.34Å; E291-Y293 VanDerWaalsContact C-N 3.29Å; E291-Y293 PolarHBondContact O-N 3.26Å; E291-V294 VanDerWaalsContact O-CG1 3.28Å; E291-V294 WeakPolarHBondContact O-CG1 3.5Å; E291-V294 PolarHBondContact O-N 2.73Å
292Q97.6Very high97.1Very high77 Ų7783.3 Ų83.336%0.3644%0.444SS..Hα-helixtrans-64.6-32178.4-175.4174.133.900113A288 Y289 T290 F335A288-Q292 WeakPolarHBondContact O-CB 3.34Å; A288-Q292 PolarHBondContact O-N 2.91Å; Y289-Q292 WeakPolarHBondContact O-CB 3.41Å; Y289-Q292 PolarHBondContact O-N 3.16Å; T290-Q292 VanDerWaalsContact C-N 3.28Å; T290-Q292 PolarHBondContact O-N 2.91Å; Q292-F335 HydrophobicContact CG-CD1 4.06Å; Q292-F335 HydrophobicContact CG-CD2 3.71Å; Q292-F335 HydrophobicContact CG-CE1 4.05Å; Q292-F335 HydrophobicContact CG-CE2 3.69Å; Q292-F335 HydrophobicContact CG-CG 3.87Å; Q292-F335 HydrophobicContact CG-CZ 3.84Å; Q292-F335 VanDerWaalsContact NE2-CD1 3.26Å; Q292-F335 VanDerWaalsContact NE2-CG 3.28Å; Q292-F335 VanDerWaalsContact O-CE2 3.27Å; Q292-F335 WeakPolarHBondContact O-CE2 3.43Å; Q292-F335 WeakPolarHBondContact O-CZ 3.44Å
293Y97.6Very high96.8Very high29 Ų2982 Ų8211%0.11444%0.439CS..Hα-helixtrans-102-1.2-177.7-71.5-96.8000113.9Y289 T290 E291 E295 Y296 D297 R332 F335 E339Y289-Y293 HydrophobicContact CD1-CD2 4.3Å; Y289-Y293 HydrophobicContact CD2-CD2 4.27Å; Y289-Y293 AromaticContact CD2-CE2 3.81Å; Y289-Y293 HydrophobicContact CD2-CE2 3.81Å; Y289-Y293 HydrophobicContact CE1-CD2 4.04Å; Y289-Y293 HydrophobicContact CE1-CE2 4.17Å; Y289-Y293 HydrophobicContact CE2-CD2 4.01Å; Y289-Y293 AromaticContact CE2-CE2 3.34Å; Y289-Y293 HydrophobicContact CE2-CE2 3.34Å; Y289-Y293 AromaticContact CE2-CZ 3.97Å; Y289-Y293 HydrophobicContact CG-CD2 4.41Å; Y289-Y293 HydrophobicContact CG-CE2 4.4Å; Y289-Y293 AromaticContact CZ-CD2 3.87Å; Y289-Y293 AromaticContact CZ-CE2 3.54Å; Y289-Y293 VanDerWaalsContact O-CD2 3.28Å; Y289-Y293 WeakPolarHBondContact O-CD2 3.47Å; Y289-Y293 PolarHBondContact O-N 2.96Å; T290-Y293 PolarHBondContact O-N 3.24Å; E291-Y293 VanDerWaalsContact C-N 3.29Å; E291-Y293 PolarHBondContact O-N 3.26Å; Y293-E295 PolarHBondContact O-N 3.26Å; Y293-Y296 CarbonylContact O-C 3.56Å; Y293-Y296 WeakPolarHBondContact O-CA 3.47Å; Y293-Y296 WeakPolarHBondContact O-CB 3.46Å; Y293-Y296 PolarHBondContact O-N 2.91Å; Y293-D297 PolarHBondContact O-N 2.9Å; Y293-R332 HydrophobicContact CE1-CG 4.33Å; Y293-F335 HydrophobicContact CD1-CD2 4.29Å; Y293-F335 HydrophobicContact CD1-CE2 4.42Å; Y293-F335 HydrophobicContact CD2-CD2 4.47Å; Y293-F335 AromaticContact CE1-CD2 3.81Å; Y293-F335 HydrophobicContact CE1-CD2 3.81Å; Y293-F335 HydrophobicContact CE1-CE2 4.37Å; Y293-F335 HydrophobicContact CE2-CD2 4Å; Y293-F335 AromaticContact CZ-CD2 3.66Å; Y293-E339 HydrophobicContact CE1-CG 4.44Å; Y293-E339 VanDerWaalsContact OH-CD 3.31Å; Y293-E339 WeakPolarHBondContact OH-CG 3.46Å; Y293-E339 PolarHBondContact OH-OE1 3.2Å
294V97.3Very high96.3Very high51 Ų5187.2 Ų87.231%0.30946%0.456SS..G310 helixtrans-58.6-35.7-176.476.80000112.8T290 E291 Y296 D297 I300 T301T290-V294 PolarHBondContact O-N 3.29Å; E291-V294 VanDerWaalsContact O-CG1 3.28Å; E291-V294 WeakPolarHBondContact O-CG1 3.5Å; E291-V294 PolarHBondContact O-N 2.73Å; V294-Y296 PolarHBondContact O-N 3.27Å; V294-D297 PolarHBondContact O-N 3.43Å; V294-I300 HydrophobicContact CG2-CB 4.29Å; V294-I300 HydrophobicContact CG2-CD1 4.12Å; V294-I300 HydrophobicContact CG2-CG2 3.66Å; V294-T301 WeakPolarHBondContact O-CB 3.37Å; V294-T301 PolarHBondContact O-OG1 3.22Å
295E95.4Very high96Very high101 Ų10185.9 Ų85.947%0.47246%0.456SS..G310 helixtrans-67-15.2176.1-66.9-175.1164.400113.1Y293 K331Y293-E295 PolarHBondContact O-N 3.26Å; E295-K331 IonicContact OE2-NZ 2.85Å; E295-K331 PolarHBondContact OE2-NZ 3.32Å
296Y94.9Very high95.8Very high44 Ų4483.6 Ų83.617%0.17344%0.44CS..G310 helixtrans-109-0.9-177.3-59.3-96.2000112.7Y293 V294 P298 Q328 R332 F335Y293-Y296 CarbonylContact O-C 3.56Å; Y293-Y296 WeakPolarHBondContact O-CA 3.47Å; Y293-Y296 WeakPolarHBondContact O-CB 3.46Å; Y293-Y296 PolarHBondContact O-N 2.91Å; V294-Y296 PolarHBondContact O-N 3.27Å; Y296-P298 VanDerWaalsContact O-CD 3.32Å; Y296-P298 WeakPolarHBondContact O-CD 3.35Å; Y296-Q328 HydrophobicContact CE1-CB 4Å; Y296-Q328 WeakPolarHBondContact CE1-O 3.46Å; Y296-Q328 PolarHBondContact OH-O 2.72Å; Y296-Q328 VanDerWaalsContact OH-O 3.11Å; Y296-R332 HydrophobicContact CE1-CB 3.88Å; Y296-R332 HydrophobicContact CE1-CG 4.42Å; Y296-F335 HydrophobicContact CD2-CE2 4.03Å; Y296-F335 HydrophobicContact CD2-CZ 4.47Å; Y296-F335 AromaticContact CE2-CE2 3.43Å; Y296-F335 HydrophobicContact CE2-CE2 3.43Å; Y296-F335 VanDerWaalsContact CE2-CE2 3.43Å; Y296-F335 AromaticContact CE2-CZ 3.51Å; Y296-F335 HydrophobicContact CE2-CZ 3.51Å; Y296-F335 AromaticContact CZ-CE2 3.97Å; Y296-F335 AromaticContact CZ-CZ 3.97Å
297D96.8Very high95.7Very high58 Ų5880 Ų8031%0.3142%0.422SS..  trans-89.7110.5177.6-170-33.5000110Y293 V294 F299 I300 T301Y293-D297 PolarHBondContact O-N 2.9Å; V294-D297 PolarHBondContact O-N 3.43Å; D297-F299 PolarHBondContact O-N 2.94Å; D297-F299 VanDerWaalsContact O-N 3.13Å; D297-F299 WeakPolarHBondContact OD1-CB 3.48Å; D297-F299 PolarHBondContact OD1-N 3.48Å; D297-I300 HydrophobicContact CB-CB 4.35Å; D297-I300 HydrophobicContact CB-CD1 4.35Å; D297-I300 HydrophobicContact CB-CG1 4.36Å; D297-I300 PolarHBondContact O-N 2.87Å; D297-I300 VanDerWaalsContact O-N 3.1Å; D297-T301 PolarHBondContact O-N 2.75Å
298P94.9Very high95.6Very high67 Ų6775.7 Ų75.744%0.43540%0.4SS..THydrogen-bonded Turntrans-66.9-12.5-177.2-19.934.3000114.7Y296 T301 A303Y296-P298 VanDerWaalsContact O-CD 3.32Å; Y296-P298 WeakPolarHBondContact O-CD 3.35Å; P298-T301 WeakPolarHBondContact CA-O 3.49Å; P298-A303 HydrophobicContact CB-CB 4.45Å
299F96.8Very high95.6Very high194 Ų19482.8 Ų82.885%0.85142%0.416SS*.THydrogen-bonded Turntrans-84.5-23.9174.8-66.2-74.4000112.7D297D297-F299 PolarHBondContact O-N 2.94Å; D297-F299 VanDerWaalsContact O-N 3.13Å; D297-F299 WeakPolarHBondContact OD1-CB 3.48Å; D297-F299 PolarHBondContact OD1-N 3.48Å
300I96.8Very high95.5Very high107 Ų10783.7 Ų83.755%0.54943%0.428SS..THydrogen-bonded Turntrans-104.9-49.4-178.1-56.1176.5000110.3V294 D297V294-I300 HydrophobicContact CG2-CB 4.29Å; V294-I300 HydrophobicContact CG2-CD1 4.12Å; V294-I300 HydrophobicContact CG2-CG2 3.66Å; D297-I300 HydrophobicContact CB-CB 4.35Å; D297-I300 HydrophobicContact CB-CD1 4.35Å; D297-I300 HydrophobicContact CB-CG1 4.36Å; D297-I300 PolarHBondContact O-N 2.87Å; D297-I300 VanDerWaalsContact O-N 3.1Å
301T95.6Very high95.4Very high48 Ų4882 Ų8229%0.29442%0.419SS..SBendtrans-107.1126.3-179.3-57.50000109.5V294 D297 P298 A303V294-T301 WeakPolarHBondContact O-CB 3.37Å; V294-T301 PolarHBondContact O-OG1 3.22Å; D297-T301 PolarHBondContact O-N 2.75Å; P298-T301 WeakPolarHBondContact CA-O 3.49Å; T301-A303 PolarHBondContact O-N 3.04Å
302P93.6Very high95.4Very high112 Ų11282.8 Ų82.873%0.72743%0.428SS*.PPolyproline II helixtrans-56.2125.8176.9-25.834.6000111.7
303A90.7Very high95.3Very high21 Ų2182 Ų8217%0.17443%0.426CS..PPolyproline II helixtrans-70.3137.7177.400000111.1P298 T301 P305 S306 L316P298-A303 HydrophobicContact CB-CB 4.45Å; T301-A303 PolarHBondContact O-N 3.04Å; A303-P305 CarbonylContact O-C 3.57Å; A303-S306 CarbonylContact O-C 3.38Å; A303-S306 WeakPolarHBondContact O-CA 3.4Å; A303-S306 PolarHBondContact O-N 3.29Å; A303-L316 HydrophobicContact CB-CD2 3.7Å
304E89Confident95.3Very high145 Ų14585 Ų8568%0.67844%0.443SS*.SBendtrans-102.3128.4177.1-67.6-170.117400111.3L316E304-L316 VanDerWaalsContact O-CD1 3.24Å; E304-L316 WeakPolarHBondContact O-CD1 3.14Å
305P91.5Very high95.2Very high73 Ų7385.2 Ų85.247%0.47445%0.445SS..SBendcis-81.2-30.412.230.1-35.1000114.8A303 T315A303-P305 CarbonylContact O-C 3.57Å; P305-T315 HydrophobicContact CG-CG2 3.98Å
306S94.7Very high95.1Very high29 Ų2981.4 Ų81.420%0.20343%0.427CS..  trans-161.7161.1173.262.90000110A303 P308 S311A303-S306 CarbonylContact O-C 3.38Å; A303-S306 WeakPolarHBondContact O-CA 3.4Å; A303-S306 PolarHBondContact O-N 3.29Å; S306-P308 WeakPolarHBondContact O-CD 3.44Å; S306-S311 WeakPolarHBondContact CB-OG 3.46Å; S306-S311 WeakPolarHBondContact OG-CB 3.29Å; S306-S311 PolarHBondContact OG-OG 3.21Å
307N95.9Very high95.1Very high31 Ų3184 Ų8417%0.16644%0.437CS..  trans-76.2116.8172.7-175.6-26.3000109.7W309 I310 S311N307-W309 PolarHBondContact O-N 2.95Å; N307-W309 VanDerWaalsContact O-N 3.08Å; N307-W309 WeakPolarHBondContact OD1-CB 3.32Å; N307-W309 VanDerWaalsContact OD1-CD1 3.25Å; N307-W309 PolarHBondContact OD1-N 3.49Å; N307-W309 VanDerWaalsContact OD1-N 3.1Å; N307-I310 HydrophobicContact CB-CB 4.49Å; N307-I310 HydrophobicContact CB-CD1 4.1Å; N307-I310 HydrophobicContact CB-CG1 4.26Å; N307-I310 PolarHBondContact O-N 3.22Å; N307-S311 PolarHBondContact O-N 2.96Å; N307-S311 PolarHBondContact O-OG 3.31Å; N307-S311 VanDerWaalsContact O-OG 3.05Å
308P96.9Very high95Very high7 Ų785.8 Ų85.85%0.04545%0.446CS..Hα-helixtrans-57.8-27.5-175.4-27.336.2000114.3S306 I310 D312 D313 L316 W317S306-P308 WeakPolarHBondContact O-CD 3.44Å; P308-I310 PolarHBondContact O-N 3.4Å; P308-D312 WeakPolarHBondContact O-CA 3.5Å; P308-D312 PolarHBondContact O-N 2.86Å; P308-D313 WeakPolarHBondContact CA-O 3.39Å; P308-D313 WeakPolarHBondContact CB-O 3.39Å; P308-D313 WeakPolarHBondContact CG-O 3.36Å; P308-L316 HydrophobicContact CG-CB 3.95Å; P308-L316 HydrophobicContact CG-CD2 4.28Å; P308-W317 HydrophobicContact CB-CD2 4.22Å; P308-W317 HydrophobicContact CB-CE3 4.42Å; P308-W317 HydrophobicContact CB-CH2 4.06Å; P308-W317 HydrophobicContact CB-CZ2 3.82Å; P308-W317 HydrophobicContact CB-CZ3 4.35Å; P308-W317 HydrophobicContact CG-CD2 4.02Å; P308-W317 HydrophobicContact CG-CG 4.25Å; P308-W317 HydrophobicContact CG-CZ2 4.17Å
309W96.9Very high94.9Very high202 Ų20284.7 Ų84.777%0.76544%0.436SS*.Hα-helixtrans-73.3-15178.2-58.2108.9000114N307 W317N307-W309 PolarHBondContact O-N 2.95Å; N307-W309 VanDerWaalsContact O-N 3.08Å; N307-W309 WeakPolarHBondContact OD1-CB 3.32Å; N307-W309 VanDerWaalsContact OD1-CD1 3.25Å; N307-W309 PolarHBondContact OD1-N 3.49Å; N307-W309 VanDerWaalsContact OD1-N 3.1Å; W309-W317 HydrophobicContact CD2-CZ2 4.43Å; W309-W317 AromaticContact CE2-CZ2 3.73Å; W309-W317 HydrophobicContact CH2-CH2 4.2Å; W309-W317 HydrophobicContact CH2-CZ2 4.47Å; W309-W317 AromaticContact CZ2-CH2 3.94Å; W309-W317 HydrophobicContact CZ2-CH2 3.94Å; W309-W317 AromaticContact CZ2-CZ2 3.76Å; W309-W317 HydrophobicContact CZ2-CZ2 3.76Å; W309-W317 AromaticContact NE1-CZ2 3.83Å
310I96.8Very high94.6Very high141 Ų14180.8 Ų80.872%0.72342%0.421SS*.Hα-helixtrans-108.4-38.2-178.6-57.4177.3000110.4N307 P308N307-I310 HydrophobicContact CB-CB 4.49Å; N307-I310 HydrophobicContact CB-CD1 4.1Å; N307-I310 HydrophobicContact CB-CG1 4.26Å; N307-I310 PolarHBondContact O-N 3.22Å; P308-I310 PolarHBondContact O-N 3.4Å
311S96.6Very high94.3Very high51 Ų5183.2 Ų83.236%0.35743%0.432SS..Hα-helixtrans-97.9-11.1-174.359.50000114.6S306 N307 D313S306-S311 WeakPolarHBondContact CB-OG 3.46Å; S306-S311 WeakPolarHBondContact OG-CB 3.29Å; S306-S311 PolarHBondContact OG-OG 3.21Å; N307-S311 PolarHBondContact O-N 2.96Å; N307-S311 PolarHBondContact O-OG 3.31Å; N307-S311 VanDerWaalsContact O-OG 3.05Å; S311-D313 PolarHBondContact O-N 3.19Å; S311-D313 VanDerWaalsContact O-N 3.14Å; S311-D313 PolarHBondContact OG-N 3.34Å
312D96.3Very high94.1Very high150 Ų15083 Ų8380%0.80243%0.432SS*.  trans54.921.2-168.3-61.9-35.6000113.5P308P308-D312 WeakPolarHBondContact O-CA 3.5Å; P308-D312 PolarHBondContact O-N 2.86Å
313D96.1Very high94Very high62 Ų6286.6 Ų86.633%0.33244%0.436SS..  trans-104.1111.2176.3179.29000110.7P308 S311 T315P308-D313 WeakPolarHBondContact CA-O 3.39Å; P308-D313 WeakPolarHBondContact CB-O 3.39Å; P308-D313 WeakPolarHBondContact CG-O 3.36Å; S311-D313 PolarHBondContact O-N 3.19Å; S311-D313 VanDerWaalsContact O-N 3.14Å; S311-D313 PolarHBondContact OG-N 3.34Å; D313-T315 PolarHBondContact O-N 3.44Å; D313-T315 WeakPolarHBondContact OD1-CB 3.42Å; D313-T315 PolarHBondContact OD1-N 3.26Å; D313-T315 PolarHBondContact OD1-OG1 3.06Å; D313-T315 PolarHBondContact OD2-OG1 3.28Å
314I96.9Very high94Very high90 Ų9093.4 Ų93.446%0.46246%0.464SS..THydrogen-bonded Turntrans-78.5-0.5-178.763.8169.5000114.1L316 W317 D318I314-L316 PolarHBondContact O-N 3.5Å; I314-W317 HydrophobicContact CB-CE3 4.12Å; I314-W317 HydrophobicContact CG2-CE3 3.86Å; I314-W317 HydrophobicContact CG2-CZ3 3.94Å; I314-W317 PolarHBondContact O-N 3.04Å; I314-D318 PolarHBondContact O-N 2.94Å
315T95.9Very high94.1Very high57 Ų5787.9 Ų87.935%0.3544%0.441SS..Hα-helixtrans-52.8-34.8-176.6-62.50000112.8P305 D313 D318 I319P305-T315 HydrophobicContact CG-CG2 3.98Å; D313-T315 PolarHBondContact O-N 3.44Å; D313-T315 WeakPolarHBondContact OD1-CB 3.42Å; D313-T315 PolarHBondContact OD1-N 3.26Å; D313-T315 PolarHBondContact OD1-OG1 3.06Å; D313-T315 PolarHBondContact OD2-OG1 3.28Å; T315-D318 PolarHBondContact O-N 3.28Å; T315-I319 HydrophobicContact CG2-CD1 3.83Å; T315-I319 HydrophobicContact CG2-CG1 4.36Å; T315-I319 WeakPolarHBondContact O-CD1 3.42Å; T315-I319 VanDerWaalsContact O-CG1 3.24Å; T315-I319 WeakPolarHBondContact O-CG1 3.47Å; T315-I319 PolarHBondContact O-N 3.33Å
316L93.6Very high94.1Very high20 Ų2086.1 Ų86.111%0.10543%0.431CS..Hα-helixtrans-59.6-48.7175.617664.8000111.9A303 E304 P308 I314 D318 I319 E320A303-L316 HydrophobicContact CB-CD2 3.7Å; E304-L316 VanDerWaalsContact O-CD1 3.24Å; E304-L316 WeakPolarHBondContact O-CD1 3.14Å; P308-L316 HydrophobicContact CG-CB 3.95Å; P308-L316 HydrophobicContact CG-CD2 4.28Å; I314-L316 PolarHBondContact O-N 3.5Å; L316-D318 VanDerWaalsContact C-N 3.32Å; L316-D318 PolarHBondContact O-N 3.23Å; L316-I319 WeakPolarHBondContact O-CB 3.28Å; L316-I319 PolarHBondContact O-N 3.4Å; L316-E320 HydrophobicContact CD1-CG 4.37Å; L316-E320 WeakPolarHBondContact O-CG 3.38Å; L316-E320 PolarHBondContact O-N 2.98Å
317W95.3Very high94Very high99 Ų9989.3 Ų89.338%0.37544%0.442SS..Hα-helixtrans-64.4-38.9-179.8-65.4-25.3000111.7P308 W309 I314 I319 E320 M321P308-W317 HydrophobicContact CB-CD2 4.22Å; P308-W317 HydrophobicContact CB-CE3 4.42Å; P308-W317 HydrophobicContact CB-CH2 4.06Å; P308-W317 HydrophobicContact CB-CZ2 3.82Å; P308-W317 HydrophobicContact CB-CZ3 4.35Å; P308-W317 HydrophobicContact CG-CD2 4.02Å; P308-W317 HydrophobicContact CG-CG 4.25Å; P308-W317 HydrophobicContact CG-CZ2 4.17Å; W309-W317 HydrophobicContact CD2-CZ2 4.43Å; W309-W317 AromaticContact CE2-CZ2 3.73Å; W309-W317 HydrophobicContact CH2-CH2 4.2Å; W309-W317 HydrophobicContact CH2-CZ2 4.47Å; W309-W317 AromaticContact CZ2-CH2 3.94Å; W309-W317 HydrophobicContact CZ2-CH2 3.94Å; W309-W317 AromaticContact CZ2-CZ2 3.76Å; W309-W317 HydrophobicContact CZ2-CZ2 3.76Å; W309-W317 AromaticContact NE1-CZ2 3.83Å; I314-W317 HydrophobicContact CB-CE3 4.12Å; I314-W317 HydrophobicContact CG2-CE3 3.86Å; I314-W317 HydrophobicContact CG2-CZ3 3.94Å; I314-W317 PolarHBondContact O-N 3.04Å; W317-I319 VanDerWaalsContact C-N 3.32Å; W317-I319 PolarHBondContact O-N 3.4Å; W317-E320 PolarHBondContact O-N 3.31Å; W317-M321 WeakPolarHBondContact O-CB 3.25Å; W317-M321 WeakPolarHBondContact O-CG 3.43Å; W317-M321 PolarHBondContact O-N 2.83Å
318D94.6Very high93.8Very high95 Ų9592 Ų9251%0.50845%0.454SS..Hα-helixtrans-61.5-41.6174.5-71.1-25.9000111.7I314 T315 L316 M321 S322I314-D318 PolarHBondContact O-N 2.94Å; T315-D318 PolarHBondContact O-N 3.28Å; L316-D318 VanDerWaalsContact C-N 3.32Å; L316-D318 PolarHBondContact O-N 3.23Å; D318-M321 PolarHBondContact O-N 3.1Å; D318-S322 PolarHBondContact O-N 2.93Å; D318-S322 VanDerWaalsContact O-N 3.08Å
319I91.6Very high93.7Very high44 Ų4493.9 Ų93.923%0.22646%0.46CS..Hα-helixtrans-64-43.1175.1-69.4165.5000110.8T315 L316 W317 M321 S322T315-I319 HydrophobicContact CG2-CD1 3.83Å; T315-I319 HydrophobicContact CG2-CG1 4.36Å; T315-I319 WeakPolarHBondContact O-CD1 3.42Å; T315-I319 VanDerWaalsContact O-CG1 3.24Å; T315-I319 WeakPolarHBondContact O-CG1 3.47Å; T315-I319 PolarHBondContact O-N 3.33Å; L316-I319 WeakPolarHBondContact O-CB 3.28Å; L316-I319 PolarHBondContact O-N 3.4Å; W317-I319 VanDerWaalsContact C-N 3.32Å; W317-I319 PolarHBondContact O-N 3.4Å; I319-M321 VanDerWaalsContact C-N 3.35Å; I319-M321 PolarHBondContact O-N 3.17Å; I319-S322 WeakPolarHBondContact O-CB 3.38Å; I319-S322 PolarHBondContact O-N 2.89Å
320E90.8Very high93.7Very high112 Ų11284.3 Ų84.352%0.52342%0.424SS..Hα-helixtrans-67.2-33.9179.4-73.1-175.6162.800112.7L316 W317 S322 R329L316-E320 HydrophobicContact CD1-CG 4.37Å; L316-E320 WeakPolarHBondContact O-CG 3.38Å; L316-E320 PolarHBondContact O-N 2.98Å; W317-E320 PolarHBondContact O-N 3.31Å; E320-S322 VanDerWaalsContact C-N 3.32Å; E320-R329 PolarHBondContact O-NH1 3.48Å
321M91.1Very high93.6Very high159 Ų15981.4 Ų81.478%0.78341%0.406SS*.Hα-helixtrans-80.9-11.1176-69.9-175.564.500113.8W317 D318 I319W317-M321 WeakPolarHBondContact O-CB 3.25Å; W317-M321 WeakPolarHBondContact O-CG 3.43Å; W317-M321 PolarHBondContact O-N 2.83Å; D318-M321 PolarHBondContact O-N 3.1Å; I319-M321 VanDerWaalsContact C-N 3.35Å; I319-M321 PolarHBondContact O-N 3.17Å
322S91.9Very high93.6Very high42 Ų4283.5 Ų83.529%0.29441%0.406SS..  trans-58.1147.3-179.6-176.30000112.5D318 I319 E320 E324 R329D318-S322 PolarHBondContact O-N 2.93Å; D318-S322 VanDerWaalsContact O-N 3.08Å; I319-S322 WeakPolarHBondContact O-CB 3.38Å; I319-S322 PolarHBondContact O-N 2.89Å; E320-S322 VanDerWaalsContact C-N 3.32Å; S322-E324 VanDerWaalsContact C-N 3.25Å; S322-E324 PolarHBondContact OG-N 3.04Å; S322-E324 PolarHBondContact OG-O 3.44Å; S322-R329 PolarHBondContact O-NH1 2.98Å
323K91Very high93.7Very high188 Ų18876.5 Ų76.582%0.81737%0.369SS*.SBendtrans-74.8-18168.5-67.7-174.4178.3-178.60112.4P325K323-P325 WeakPolarHBondContact O-CD 3.27Å
324E90.9Very high93.8Very high164 Ų16474.7 Ų74.777%0.76637%0.365SS*.SBendtrans-95.6101.7171.4-66.5-174.5179.700108.6S322S322-E324 VanDerWaalsContact C-N 3.25Å; S322-E324 PolarHBondContact OG-N 3.04Å; S322-E324 PolarHBondContact OG-O 3.44Å
325P91.8Very high93.8Very high29 Ų2972.4 Ų72.419%0.18835%0.352CS..  trans-73.5143.5-172.632.4-35.4000110.5K323 R329 V330 W333 V345K323-P325 WeakPolarHBondContact O-CD 3.27Å; P325-R329 HydrophobicContact CB-CB 4.39Å; P325-R329 HydrophobicContact CB-CG 4.28Å; P325-V330 HydrophobicContact CB-CG2 3.84Å; P325-V330 HydrophobicContact CG-CG2 3.63Å; P325-W333 HydrophobicContact CB-CH2 4.08Å; P325-W333 HydrophobicContact CB-CZ2 3.96Å; P325-W333 HydrophobicContact CG-CH2 3.76Å; P325-W333 HydrophobicContact CG-CZ2 4.16Å; P325-V345 HydrophobicContact CG-CG1 4.08Å
326S91.6Very high93.8Very high37 Ų3771.2 Ų71.226%0.25935%0.345SS..  trans-67.9159.3171.773.50000111.2Q328 R329 V330S326-Q328 PolarHBondContact O-N 3.1Å; S326-R329 WeakPolarHBondContact O-CB 3.23Å; S326-R329 PolarHBondContact O-N 2.81Å; S326-R329 VanDerWaalsContact O-N 3.1Å; S326-R329 WeakPolarHBondContact OG-CB 3.22Å; S326-R329 PolarHBondContact OG-N 3.28Å; S326-R329 VanDerWaalsContact OG-N 3.17Å; S326-V330 WeakPolarHBondContact O-CG2 3.44Å; S326-V330 PolarHBondContact O-N 2.9Å
327Q91.8Very high94Very high95 Ų9570.3 Ų70.344%0.44434%0.341SS..Hα-helixtrans-56.9-39.4176.3-174.917835.500112.4V330 K331 L451Q327-V330 PolarHBondContact O-N 2.89Å; Q327-K331 WeakPolarHBondContact O-CB 3.37Å; Q327-K331 PolarHBondContact O-N 3.46Å; Q327-L451 WeakPolarHBondContact CG-O 3.49Å; Q327-L451 PolarHBondContact NE2-O 2.86Å
328Q91.8Very high94.1Very high87 Ų8768.3 Ų68.341%0.40734%0.338SS..Hα-helixtrans-63.6-45.5175.9-74.4177.8-1900111.2Y296 S326 V330 K331 R332Y296-Q328 HydrophobicContact CE1-CB 4Å; Y296-Q328 WeakPolarHBondContact CE1-O 3.46Å; Y296-Q328 PolarHBondContact OH-O 2.72Å; Y296-Q328 VanDerWaalsContact OH-O 3.11Å; S326-Q328 PolarHBondContact O-N 3.1Å; Q328-V330 VanDerWaalsContact C-N 3.32Å; Q328-V330 PolarHBondContact O-N 2.79Å; Q328-K331 PolarHBondContact O-N 3.45Å; Q328-R332 PolarHBondContact O-N 2.86Å
329R94.6Very high94.3Very high47 Ų4764.2 Ų64.218%0.17732%0.315CS..Hα-helixtrans-59.6-42.1176.7-174.5171.9172.8-157.6-9.1111.8E320 S322 P325 S326 R332 W333 D343E320-R329 PolarHBondContact O-NH1 3.48Å; S322-R329 PolarHBondContact O-NH1 2.98Å; P325-R329 HydrophobicContact CB-CB 4.39Å; P325-R329 HydrophobicContact CB-CG 4.28Å; S326-R329 WeakPolarHBondContact O-CB 3.23Å; S326-R329 PolarHBondContact O-N 2.81Å; S326-R329 VanDerWaalsContact O-N 3.1Å; S326-R329 WeakPolarHBondContact OG-CB 3.22Å; S326-R329 PolarHBondContact OG-N 3.28Å; S326-R329 VanDerWaalsContact OG-N 3.17Å; R329-R332 WeakPolarHBondContact O-CB 2.97Å; R329-R332 PolarHBondContact O-N 3.4Å; R329-W333 VanDerWaalsContact O-CD1 3.26Å; R329-W333 PolarHBondContact O-NE1 3.04Å; R329-D343 WeakPolarHBondContact CG-OD2 3.42Å; R329-D343 IonicContact CZ-OD1 3.72Å; R329-D343 IonicContact CZ-OD2 3.77Å; R329-D343 IonicContact NE-OD1 3.41Å; R329-D343 IonicContact NE-OD2 2.65Å; R329-D343 PolarHBondContact NE-OD2 2.81Å; R329-D343 VanDerWaalsContact NH2-CG 3.35Å; R329-D343 IonicContact NH2-OD1 3.8Å; R329-D343 PolarHBondContact NH2-OD1 2.97Å; R329-D343 IonicContact NH2-OD2 2.71Å; R329-D343 PolarHBondContact NH2-OD2 3.37Å
330V96.3Very high94.6Very high1 Ų162.1 Ų62.11%0.00631%0.305CS..Hα-helixtrans-66.2-45.3175.1178.60000111.8P325 S326 Q327 Q328 R332 W333 Y447 L450 L451P325-V330 HydrophobicContact CB-CG2 3.84Å; P325-V330 HydrophobicContact CG-CG2 3.63Å; S326-V330 WeakPolarHBondContact O-CG2 3.44Å; S326-V330 PolarHBondContact O-N 2.9Å; Q327-V330 PolarHBondContact O-N 2.89Å; Q328-V330 VanDerWaalsContact C-N 3.32Å; Q328-V330 PolarHBondContact O-N 2.79Å; V330-R332 PolarHBondContact O-N 3.17Å; V330-W333 HydrophobicContact CB-CE3 4.3Å; V330-W333 HydrophobicContact CB-CZ3 4.39Å; V330-W333 HydrophobicContact CG1-CE3 3.94Å; V330-W333 HydrophobicContact CG1-CZ3 4.12Å; V330-W333 HydrophobicContact CG2-CE3 4.31Å; V330-W333 HydrophobicContact CG2-CH2 4.01Å; V330-W333 HydrophobicContact CG2-CZ2 4.42Å; V330-W333 HydrophobicContact CG2-CZ3 3.93Å; V330-W333 VanDerWaalsContact O-CB 3.29Å; V330-W333 WeakPolarHBondContact O-CB 3.36Å; V330-W333 PolarHBondContact O-N 3.35Å; V330-Y447 HydrophobicContact CG1-CD2 4.19Å; V330-Y447 HydrophobicContact CG1-CE2 3.72Å; V330-Y447 PolarHBondContact O-OH 2.92Å; V330-L450 HydrophobicContact CG1-CB 4.04Å; V330-L450 HydrophobicContact CG2-CB 4.42Å; V330-L451 HydrophobicContact CG1-CB 4.28Å; V330-L451 HydrophobicContact CG1-CD1 4.28Å
331K95.9Very high94.9Very high81 Ų8157.2 Ų57.235%0.35228%0.282SS..Hα-helixtrans-55.2-39.3177.3-179.5-176.4174-166.90111.3E295 Q327 Q328 W333 G334 F335 L451E295-K331 IonicContact OE2-NZ 2.85Å; E295-K331 PolarHBondContact OE2-NZ 3.32Å; Q327-K331 WeakPolarHBondContact O-CB 3.37Å; Q327-K331 PolarHBondContact O-N 3.46Å; Q328-K331 PolarHBondContact O-N 3.45Å; K331-W333 VanDerWaalsContact C-N 3.31Å; K331-W333 PolarHBondContact O-N 3.14Å; K331-G334 PolarHBondContact O-N 2.93Å; K331-G334 VanDerWaalsContact O-N 3.14Å; K331-F335 HydrophobicContact CG-CE1 4.25Å; K331-L451 HydrophobicContact CB-CD1 3.88Å
332R96.8Very high95.1Very high95 Ų9555.9 Ų55.936%0.35827%0.272SS..Hα-helixtrans-63.2-32.6178.1-172.6174.2167.6174.4-0.7113.3Y293 Y296 Q328 R329 V330 G334 F335 E339Y293-R332 HydrophobicContact CE1-CG 4.33Å; Y296-R332 HydrophobicContact CE1-CB 3.88Å; Y296-R332 HydrophobicContact CE1-CG 4.42Å; Q328-R332 PolarHBondContact O-N 2.86Å; R329-R332 WeakPolarHBondContact O-CB 2.97Å; R329-R332 PolarHBondContact O-N 3.4Å; V330-R332 PolarHBondContact O-N 3.17Å; R332-G334 PolarHBondContact O-N 2.95Å; R332-F335 HydrophobicContact CB-CD2 4.47Å; R332-F335 HydrophobicContact CG-CD2 4.05Å; R332-F335 HydrophobicContact CG-CE2 4.37Å; R332-F335 WeakPolarHBondContact O-CB 3.49Å; R332-F335 WeakPolarHBondContact O-CG 3.45Å; R332-F335 PolarHBondContact O-N 3.47Å; R332-E339 HydrophobicContact CG-CG 4.33Å; R332-E339 IonicContact CZ-OE2 3.9Å; R332-E339 IonicContact NE-OE2 3.95Å; R332-E339 PolarHBondContact NE-OE2 3.38Å; R332-E339 IonicContact NH2-OE2 3.7Å; R332-E339 PolarHBondContact NH2-OE2 3.45Å; R332-E339 WeakPolarHBondContact O-CB 3.42Å
333W97.6Very high95.4Very high2 Ų255 Ų551%0.00826%0.264CS..Hα-helixtrans-59.9-27.7174.9-57.7-17.8000112.7P325 R329 V330 K331 F335 I340 D343 V345 Q349 Y438 Y447 L450P325-W333 HydrophobicContact CB-CH2 4.08Å; P325-W333 HydrophobicContact CB-CZ2 3.96Å; P325-W333 HydrophobicContact CG-CH2 3.76Å; P325-W333 HydrophobicContact CG-CZ2 4.16Å; R329-W333 VanDerWaalsContact O-CD1 3.26Å; R329-W333 PolarHBondContact O-NE1 3.04Å; V330-W333 HydrophobicContact CB-CE3 4.3Å; V330-W333 HydrophobicContact CB-CZ3 4.39Å; V330-W333 HydrophobicContact CG1-CE3 3.94Å; V330-W333 HydrophobicContact CG1-CZ3 4.12Å; V330-W333 HydrophobicContact CG2-CE3 4.31Å; V330-W333 HydrophobicContact CG2-CH2 4.01Å; V330-W333 HydrophobicContact CG2-CZ2 4.42Å; V330-W333 HydrophobicContact CG2-CZ3 3.93Å; V330-W333 VanDerWaalsContact O-CB 3.29Å; V330-W333 WeakPolarHBondContact O-CB 3.36Å; V330-W333 PolarHBondContact O-N 3.35Å; K331-W333 VanDerWaalsContact C-N 3.31Å; K331-W333 PolarHBondContact O-N 3.14Å; W333-F335 VanDerWaalsContact C-N 3.29Å; W333-F335 PolarHBondContact O-N 2.86Å; W333-I340 HydrophobicContact CB-CB 4.02Å; W333-I340 HydrophobicContact CB-CD1 4.47Å; W333-I340 HydrophobicContact CB-CG1 4.26Å; W333-I340 HydrophobicContact CG-CB 4.4Å; W333-I340 HydrophobicContact CG-CG1 4.36Å; W333-D343 PolarHBondContact NE1-OD2 3.3Å; W333-V345 HydrophobicContact CH2-CB 4.37Å; W333-V345 HydrophobicContact CH2-CG1 3.96Å; W333-V345 HydrophobicContact CZ2-CB 4.14Å; W333-V345 HydrophobicContact CZ2-CG1 4.21Å; W333-Q349 HydrophobicContact CH2-CG 4.4Å; W333-Q349 HydrophobicContact CZ3-CG 4.38Å; W333-Y438 PolarHBondContact O-OH 3.12Å; W333-Y447 HydrophobicContact CB-CE2 4.4Å; W333-Y447 HydrophobicContact CE3-CE2 4.39Å; W333-L450 HydrophobicContact CZ3-CD1 4.22Å
334G97.1Very high95.6Very high25 Ų2550.7 Ų50.726%0.25825%0.247SC..THydrogen-bonded Turntrans-75.8-10.5177.200000114.9K331 R332 Y438K331-G334 PolarHBondContact O-N 2.93Å; K331-G334 VanDerWaalsContact O-N 3.14Å; R332-G334 PolarHBondContact O-N 2.95Å; G334-Y438 VanDerWaalsContact C-OH 3.28Å; G334-Y438 WeakPolarHBondContact CA-OH 3.29Å; G334-Y438 PolarHBondContact O-OH 3.35Å
335F97.1Very high95.8Very high42 Ų4243.5 Ų43.518%0.18421%0.214CC..THydrogen-bonded Turntrans-72.8-39.8-175.7-67.9-5.6000112.5Q292 Y293 Y296 K331 R332 W333 E339Q292-F335 HydrophobicContact CG-CD1 4.06Å; Q292-F335 HydrophobicContact CG-CD2 3.71Å; Q292-F335 HydrophobicContact CG-CE1 4.05Å; Q292-F335 HydrophobicContact CG-CE2 3.69Å; Q292-F335 HydrophobicContact CG-CG 3.87Å; Q292-F335 HydrophobicContact CG-CZ 3.84Å; Q292-F335 VanDerWaalsContact NE2-CD1 3.26Å; Q292-F335 VanDerWaalsContact NE2-CG 3.28Å; Q292-F335 VanDerWaalsContact O-CE2 3.27Å; Q292-F335 WeakPolarHBondContact O-CE2 3.43Å; Q292-F335 WeakPolarHBondContact O-CZ 3.44Å; Y293-F335 HydrophobicContact CD1-CD2 4.29Å; Y293-F335 HydrophobicContact CD1-CE2 4.42Å; Y293-F335 HydrophobicContact CD2-CD2 4.47Å; Y293-F335 AromaticContact CE1-CD2 3.81Å; Y293-F335 HydrophobicContact CE1-CD2 3.81Å; Y293-F335 HydrophobicContact CE1-CE2 4.37Å; Y293-F335 HydrophobicContact CE2-CD2 4Å; Y293-F335 AromaticContact CZ-CD2 3.66Å; Y296-F335 HydrophobicContact CD2-CE2 4.03Å; Y296-F335 HydrophobicContact CD2-CZ 4.47Å; Y296-F335 AromaticContact CE2-CE2 3.43Å; Y296-F335 HydrophobicContact CE2-CE2 3.43Å; Y296-F335 VanDerWaalsContact CE2-CE2 3.43Å; Y296-F335 AromaticContact CE2-CZ 3.51Å; Y296-F335 HydrophobicContact CE2-CZ 3.51Å; Y296-F335 AromaticContact CZ-CE2 3.97Å; Y296-F335 AromaticContact CZ-CZ 3.97Å; K331-F335 HydrophobicContact CG-CE1 4.25Å; R332-F335 HydrophobicContact CB-CD2 4.47Å; R332-F335 HydrophobicContact CG-CD2 4.05Å; R332-F335 HydrophobicContact CG-CE2 4.37Å; R332-F335 WeakPolarHBondContact O-CB 3.49Å; R332-F335 WeakPolarHBondContact O-CG 3.45Å; R332-F335 PolarHBondContact O-N 3.47Å; W333-F335 VanDerWaalsContact C-N 3.29Å; W333-F335 PolarHBondContact O-N 2.86Å; F335-E339 HydrophobicContact CB-CG 4.32Å
336S97.4Very high96.1Very high31 Ų3142.1 Ų42.122%0.21721%0.205CC..  trans-160.9158.5175.873.50000110.6D338 E339 Y438S336-D338 PolarHBondContact O-N 2.67Å; S336-D338 PolarHBondContact OG-N 3.07Å; S336-E339 PolarHBondContact O-N 3.02Å; S336-E339 PolarHBondContact OG-N 3.31Å; S336-Y438 PolarHBondContact N-OH 3.24Å; S336-Y438 PolarHBondContact O-OH 3.2Å
337F98.1Very high96.4Very high1 Ų142.7 Ų42.70%0.00420%0.201CC..Hα-helixtrans-59.4-29.7174.9-172-137.6000112.3E339 I340 L341 F350 Y430 M433 K434 Y438F337-E339 VanDerWaalsContact C-N 3.34Å; F337-E339 PolarHBondContact O-N 3.46Å; F337-I340 HydrophobicContact CD2-CG2 3.77Å; F337-I340 HydrophobicContact CE2-CG2 4.29Å; F337-I340 WeakPolarHBondContact O-CG2 3.47Å; F337-L341 HydrophobicContact CD1-CD1 3.83Å; F337-L341 HydrophobicContact CD2-CD1 4.33Å; F337-L341 HydrophobicContact CD2-CG 4.2Å; F337-L341 HydrophobicContact CE1-CD1 3.56Å; F337-L341 HydrophobicContact CE1-CG 4.34Å; F337-L341 HydrophobicContact CE2-CD1 4.06Å; F337-L341 HydrophobicContact CE2-CD2 4.1Å; F337-L341 HydrophobicContact CE2-CG 3.93Å; F337-L341 HydrophobicContact CG-CD1 4.22Å; F337-L341 HydrophobicContact CZ-CD1 3.68Å; F337-L341 HydrophobicContact CZ-CD2 4.09Å; F337-L341 HydrophobicContact CZ-CG 4.01Å; F337-L341 WeakPolarHBondContact O-CB 3.22Å; F337-L341 VanDerWaalsContact O-CG 3.28Å; F337-L341 WeakPolarHBondContact O-CG 3.44Å; F337-L341 PolarHBondContact O-N 2.81Å; F337-L341 VanDerWaalsContact O-N 3.13Å; F337-F350 HydrophobicContact CE2-CD1 4.19Å; F337-F350 AromaticContact CE2-CE1 3.51Å; F337-F350 HydrophobicContact CE2-CE1 3.51Å; F337-F350 AromaticContact CE2-CZ 3.87Å; F337-F350 HydrophobicContact CE2-CZ 3.87Å; F337-F350 AromaticContact CZ-CE1 3.94Å; F337-F350 HydrophobicContact CZ-CE1 3.94Å; F337-F350 HydrophobicContact CZ-CZ 4.41Å; F337-Y430 AromaticContact CD1-CD2 3.85Å; F337-Y430 HydrophobicContact CD1-CD2 3.85Å; F337-Y430 HydrophobicContact CD1-CE1 4.31Å; F337-Y430 AromaticContact CD1-CE2 3.48Å; F337-Y430 HydrophobicContact CD1-CE2 3.48Å; F337-Y430 VanDerWaalsContact CD1-CE2 3.48Å; F337-Y430 HydrophobicContact CD1-CG 4.44Å; F337-Y430 AromaticContact CD1-CZ 3.72Å; F337-Y430 AromaticContact CE1-CD2 3.71Å; F337-Y430 HydrophobicContact CE1-CD2 3.71Å; F337-Y430 AromaticContact CE1-CE2 3.82Å; F337-Y430 HydrophobicContact CE1-CE2 3.82Å; F337-Y430 HydrophobicContact CE1-CG 4.27Å; F337-M433 HydrophobicContact CE1-CB 3.85Å; F337-M433 HydrophobicContact CE1-CE 4.41Å; F337-M433 HydrophobicContact CE2-CB 4.42Å; F337-M433 HydrophobicContact CZ-CB 3.52Å; F337-M433 HydrophobicContact CZ-CE 4.05Å; F337-M433 HydrophobicContact CZ-CG 4.49Å; F337-M433 HydrophobicContact CZ-SD 4.23Å; F337-K434 HydrophobicContact CB-CB 4.32Å; F337-K434 HydrophobicContact CB-CD 4.24Å; F337-K434 HydrophobicContact CB-CG 3.93Å; F337-K434 HydrophobicContact CD1-CB 3.61Å; F337-K434 HydrophobicContact CD1-CD 4.4Å; F337-K434 HydrophobicContact CD1-CG 4.12Å; F337-K434 HydrophobicContact CE1-CB 4.18Å; F337-K434 HydrophobicContact CG-CB 4.15Å; F337-K434 HydrophobicContact CG-CG 4.31Å; F337-Y438 HydrophobicContact CB-CD1 3.94Å; F337-Y438 HydrophobicContact CB-CD2 4.49Å; F337-Y438 HydrophobicContact CB-CE1 4.11Å; F337-Y438 HydrophobicContact CB-CG 4.13Å; F337-Y438 HydrophobicContact CD2-CD1 4.22Å; F337-Y438 AromaticContact CD2-CD2 3.59Å; F337-Y438 HydrophobicContact CD2-CD2 3.59Å; F337-Y438 HydrophobicContact CD2-CE2 4.28Å; F337-Y438 AromaticContact CD2-CG 3.54Å; F337-Y438 HydrophobicContact CD2-CG 3.54Å; F337-Y438 HydrophobicContact CE2-CD2 4.32Å; F337-Y438 HydrophobicContact CE2-CG 4.3Å; F337-Y438 HydrophobicContact CG-CD1 4.39Å; F337-Y438 HydrophobicContact CG-CD2 4.47Å; F337-Y438 HydrophobicContact CG-CG 4.14Å
338D97.4Very high96.6Very high58 Ų5841 Ų4131%0.3120%0.195SC..Hα-helixtrans-67.7-32.5176-59-67.8000112.6S336 L341 K342 Y430S336-D338 PolarHBondContact O-N 2.67Å; S336-D338 PolarHBondContact OG-N 3.07Å; D338-L341 PolarHBondContact O-N 3.44Å; D338-K342 WeakPolarHBondContact O-CB 3.46Å; D338-K342 WeakPolarHBondContact O-CD 3.27Å; D338-K342 WeakPolarHBondContact O-CG 3.29Å; D338-K342 PolarHBondContact O-N 3.32Å; D338-Y430 PolarHBondContact OD1-OH 3.04Å; D338-Y430 PolarHBondContact OD2-OH 3.14Å
339E97.9Very high96.8Very high9 Ų938.9 Ų38.94%0.04219%0.185CC..Hα-helixtrans-67.3-45179.6-70.2-53.7115.300111.8Y293 R332 F335 S336 F337 L341 K342 D343Y293-E339 HydrophobicContact CE1-CG 4.44Å; Y293-E339 VanDerWaalsContact OH-CD 3.31Å; Y293-E339 WeakPolarHBondContact OH-CG 3.46Å; Y293-E339 PolarHBondContact OH-OE1 3.2Å; R332-E339 HydrophobicContact CG-CG 4.33Å; R332-E339 IonicContact CZ-OE2 3.9Å; R332-E339 IonicContact NE-OE2 3.95Å; R332-E339 PolarHBondContact NE-OE2 3.38Å; R332-E339 IonicContact NH2-OE2 3.7Å; R332-E339 PolarHBondContact NH2-OE2 3.45Å; R332-E339 WeakPolarHBondContact O-CB 3.42Å; F335-E339 HydrophobicContact CB-CG 4.32Å; S336-E339 PolarHBondContact O-N 3.02Å; S336-E339 PolarHBondContact OG-N 3.31Å; F337-E339 VanDerWaalsContact C-N 3.34Å; F337-E339 PolarHBondContact O-N 3.46Å; E339-L341 VanDerWaalsContact C-N 3.33Å; E339-L341 PolarHBondContact O-N 2.86Å; E339-K342 PolarHBondContact O-N 3.3Å; E339-K342 IonicContact OE1-NZ 3.68Å; E339-K342 PolarHBondContact OE1-NZ 3.26Å; E339-D343 PolarHBondContact O-N 3.03Å
340I97.5Very high97Very high0 Ų036.6 Ų36.60%018%0.177CC..Hα-helixtrans-66.7-36.1175.4-168.4168.5000112W333 F337 D343 G346 R347 F350 Y438 F441W333-I340 HydrophobicContact CB-CB 4.02Å; W333-I340 HydrophobicContact CB-CD1 4.47Å; W333-I340 HydrophobicContact CB-CG1 4.26Å; W333-I340 HydrophobicContact CG-CB 4.4Å; W333-I340 HydrophobicContact CG-CG1 4.36Å; F337-I340 HydrophobicContact CD2-CG2 3.77Å; F337-I340 HydrophobicContact CE2-CG2 4.29Å; F337-I340 WeakPolarHBondContact O-CG2 3.47Å; I340-D343 PolarHBondContact O-N 3.44Å; I340-D343 VanDerWaalsContact O-O 3.13Å; I340-G346 WeakPolarHBondContact CG1-O 3.36Å; I340-R347 PolarHBondContact O-N 3.25Å; I340-F350 HydrophobicContact CD1-CB 3.77Å; I340-F350 HydrophobicContact CD1-CD2 4.47Å; I340-F350 HydrophobicContact CD1-CG 4.19Å; I340-F350 HydrophobicContact CG1-CB 4.35Å; I340-Y438 HydrophobicContact CB-CE2 4.4Å; I340-Y438 HydrophobicContact CG2-CD2 3.88Å; I340-Y438 HydrophobicContact CG2-CE2 3.65Å; I340-F441 HydrophobicContact CD1-CD1 3.72Å; I340-F441 HydrophobicContact CD1-CE1 3.22Å; I340-F441 HydrophobicContact CD1-CZ 3.84Å
341L97.3Very high97.1Very high8 Ų838.4 Ų38.44%0.04219%0.186CC..Hα-helixtrans-72.8-25.5178.3-72.3-179.5000113.3F337 D338 E339 R347 L363 W366 Y430F337-L341 HydrophobicContact CD1-CD1 3.83Å; F337-L341 HydrophobicContact CD2-CD1 4.33Å; F337-L341 HydrophobicContact CD2-CG 4.2Å; F337-L341 HydrophobicContact CE1-CD1 3.56Å; F337-L341 HydrophobicContact CE1-CG 4.34Å; F337-L341 HydrophobicContact CE2-CD1 4.06Å; F337-L341 HydrophobicContact CE2-CD2 4.1Å; F337-L341 HydrophobicContact CE2-CG 3.93Å; F337-L341 HydrophobicContact CG-CD1 4.22Å; F337-L341 HydrophobicContact CZ-CD1 3.68Å; F337-L341 HydrophobicContact CZ-CD2 4.09Å; F337-L341 HydrophobicContact CZ-CG 4.01Å; F337-L341 WeakPolarHBondContact O-CB 3.22Å; F337-L341 VanDerWaalsContact O-CG 3.28Å; F337-L341 WeakPolarHBondContact O-CG 3.44Å; F337-L341 PolarHBondContact O-N 2.81Å; F337-L341 VanDerWaalsContact O-N 3.13Å; D338-L341 PolarHBondContact O-N 3.44Å; E339-L341 VanDerWaalsContact C-N 3.33Å; E339-L341 PolarHBondContact O-N 2.86Å; L341-R347 VanDerWaalsContact O-CD 3.26Å; L341-R347 WeakPolarHBondContact O-CD 3.37Å; L341-R347 WeakPolarHBondContact O-CG 3.34Å; L341-R347 PolarHBondContact O-NH1 2.87Å; L341-L363 HydrophobicContact CD2-CD1 3.6Å; L341-W366 HydrophobicContact CB-CH2 4.28Å; L341-W366 HydrophobicContact CB-CZ3 4.4Å; L341-W366 HydrophobicContact CD1-CE3 4.44Å; L341-W366 HydrophobicContact CD1-CH2 3.81Å; L341-W366 HydrophobicContact CD1-CZ2 3.93Å; L341-W366 HydrophobicContact CD1-CZ3 4.07Å; L341-W366 HydrophobicContact CD2-CE3 4.42Å; L341-W366 HydrophobicContact CD2-CZ3 4.2Å; L341-W366 HydrophobicContact CG-CZ3 4.48Å; L341-Y430 HydrophobicContact CD1-CD2 4.02Å; L341-Y430 HydrophobicContact CD1-CE2 3.78Å
342K96.1Very high97.1Very high131 Ų13141.1 Ų41.157%0.5719%0.194SC*.Hα-helixtrans-75.4-35.7173.8-73.6165.4-163.5166.20111.9D338 E339 R347D338-K342 WeakPolarHBondContact O-CB 3.46Å; D338-K342 WeakPolarHBondContact O-CD 3.27Å; D338-K342 WeakPolarHBondContact O-CG 3.29Å; D338-K342 PolarHBondContact O-N 3.32Å; E339-K342 PolarHBondContact O-N 3.3Å; E339-K342 IonicContact OE1-NZ 3.68Å; E339-K342 PolarHBondContact OE1-NZ 3.26Å; K342-R347 VanDerWaalsContact C-NH1 3.26Å; K342-R347 PolarHBondContact O-NH1 3.45Å
343D96.8Very high97.1Very high24 Ų2437.5 Ų37.513%0.12818%0.181CC..  trans-78.1124.7-178.2-167.1-51.5000112.2R329 W333 E339 I340 V345 G346 R347R329-D343 WeakPolarHBondContact CG-OD2 3.42Å; R329-D343 IonicContact CZ-OD1 3.72Å; R329-D343 IonicContact CZ-OD2 3.77Å; R329-D343 IonicContact NE-OD1 3.41Å; R329-D343 IonicContact NE-OD2 2.65Å; R329-D343 PolarHBondContact NE-OD2 2.81Å; R329-D343 VanDerWaalsContact NH2-CG 3.35Å; R329-D343 IonicContact NH2-OD1 3.8Å; R329-D343 PolarHBondContact NH2-OD1 2.97Å; R329-D343 IonicContact NH2-OD2 2.71Å; R329-D343 PolarHBondContact NH2-OD2 3.37Å; W333-D343 PolarHBondContact NE1-OD2 3.3Å; E339-D343 PolarHBondContact O-N 3.03Å; I340-D343 PolarHBondContact O-N 3.44Å; I340-D343 VanDerWaalsContact O-O 3.13Å; D343-V345 PolarHBondContact O-N 2.98Å; D343-V345 PolarHBondContact OD1-N 3.16Å; D343-G346 PolarHBondContact O-N 3.41Å; D343-G346 PolarHBondContact OD1-N 3.27Å; D343-R347 WeakPolarHBondContact O-CG 3.23Å; D343-R347 PolarHBondContact O-N 3.39Å
344Q95.6Very high97.1Very high98 Ų9837.4 Ų37.446%0.45818%0.181SC..Hα-helixtrans-61.8-44.8178.5-17963.556.100112.8G346 R347 D348Q344-G346 VanDerWaalsContact C-N 3.32Å; Q344-R347 PolarHBondContact O-N 2.82Å; Q344-D348 PolarHBondContact NE2-OD1 3.04Å; Q344-D348 PolarHBondContact O-N 3.45Å
345V96.3Very high97.1Very high13 Ų1340 Ų408%0.07919%0.186CC..Hα-helixtrans-70.1-37.4-179.9-177.60000109.5P325 W333 D343 D348 Q349P325-V345 HydrophobicContact CG-CG1 4.08Å; W333-V345 HydrophobicContact CH2-CB 4.37Å; W333-V345 HydrophobicContact CH2-CG1 3.96Å; W333-V345 HydrophobicContact CZ2-CB 4.14Å; W333-V345 HydrophobicContact CZ2-CG1 4.21Å; D343-V345 PolarHBondContact O-N 2.98Å; D343-V345 PolarHBondContact OD1-N 3.16Å; V345-D348 PolarHBondContact O-N 3.3Å; V345-Q349 HydrophobicContact CG1-CG 4.44Å; V345-Q349 WeakPolarHBondContact O-CG 3.47Å; V345-Q349 PolarHBondContact O-N 3.37Å
346G96.9Very high97Very high0 Ų042 Ų420%021%0.205CC..Hα-helixtrans-57.5-48.9172.800000112.2I340 D343 Q344 D348 Q349 F350I340-G346 WeakPolarHBondContact CG1-O 3.36Å; D343-G346 PolarHBondContact O-N 3.41Å; D343-G346 PolarHBondContact OD1-N 3.27Å; Q344-G346 VanDerWaalsContact C-N 3.32Å; G346-D348 PolarHBondContact O-N 3.5Å; G346-Q349 PolarHBondContact O-N 2.92Å; G346-F350 WeakPolarHBondContact O-CB 3.29Å; G346-F350 PolarHBondContact O-N 3.03Å
347R97.6Very high96.8Very high48 Ų4843.7 Ų43.718%0.18121%0.21CC..Hα-helixtrans-57-45.6173.7-74.4-168.1-63.5-90.64.5112.3I340 L341 K342 D343 Q344 Q349 F350 L351I340-R347 PolarHBondContact O-N 3.25Å; L341-R347 VanDerWaalsContact O-CD 3.26Å; L341-R347 WeakPolarHBondContact O-CD 3.37Å; L341-R347 WeakPolarHBondContact O-CG 3.34Å; L341-R347 PolarHBondContact O-NH1 2.87Å; K342-R347 VanDerWaalsContact C-NH1 3.26Å; K342-R347 PolarHBondContact O-NH1 3.45Å; D343-R347 WeakPolarHBondContact O-CG 3.23Å; D343-R347 PolarHBondContact O-N 3.39Å; Q344-R347 PolarHBondContact O-N 2.82Å; R347-Q349 PolarHBondContact O-N 2.86Å; R347-F350 PolarHBondContact O-N 3.34Å; R347-L351 VanDerWaalsContact O-CB 3.3Å; R347-L351 WeakPolarHBondContact O-CB 3.47Å; R347-L351 PolarHBondContact O-N 2.93Å
348D96.8Very high96.5Very high59 Ų5952.7 Ų52.732%0.31625%0.249SC..Hα-helixtrans-64.1-41.7-178.5-64.8-14.1000111.4Q344 V345 G346 L351 R352Q344-D348 PolarHBondContact NE2-OD1 3.04Å; Q344-D348 PolarHBondContact O-N 3.45Å; V345-D348 PolarHBondContact O-N 3.3Å; G346-D348 PolarHBondContact O-N 3.5Å; D348-L351 PolarHBondContact O-N 3.46Å; D348-R352 WeakPolarHBondContact O-CG 3.49Å; D348-R352 PolarHBondContact O-N 3.1Å
349Q96.8Very high96.3Very high43 Ų4350.7 Ų50.720%0.20124%0.24CC..Hα-helixtrans-69-39.9176.9-63.9-62-4.100112W333 V345 G346 R347 R352 F353 F441 L450W333-Q349 HydrophobicContact CH2-CG 4.4Å; W333-Q349 HydrophobicContact CZ3-CG 4.38Å; V345-Q349 HydrophobicContact CG1-CG 4.44Å; V345-Q349 WeakPolarHBondContact O-CG 3.47Å; V345-Q349 PolarHBondContact O-N 3.37Å; G346-Q349 PolarHBondContact O-N 2.92Å; R347-Q349 PolarHBondContact O-N 2.86Å; Q349-R352 VanDerWaalsContact NE2-NH1 3.1Å; Q349-R352 PolarHBondContact O-N 3.16Å; Q349-F353 PolarHBondContact O-N 3.25Å; Q349-F353 VanDerWaalsContact O-N 3.08Å; Q349-F441 HydrophobicContact CB-CZ 4.39Å; Q349-L450 HydrophobicContact CB-CD1 4.4Å; Q349-L450 HydrophobicContact CG-CD1 3.88Å
350F97.9Very high96.2Very high0 Ų050.9 Ų50.90%024%0.242CC..Hα-helixtrans-64.7-42.2175.4-172.6-128.9000111.5F337 I340 G346 R347 R352 F353 L354 L363 M433 F441F337-F350 HydrophobicContact CE2-CD1 4.19Å; F337-F350 AromaticContact CE2-CE1 3.51Å; F337-F350 HydrophobicContact CE2-CE1 3.51Å; F337-F350 AromaticContact CE2-CZ 3.87Å; F337-F350 HydrophobicContact CE2-CZ 3.87Å; F337-F350 AromaticContact CZ-CE1 3.94Å; F337-F350 HydrophobicContact CZ-CE1 3.94Å; F337-F350 HydrophobicContact CZ-CZ 4.41Å; I340-F350 HydrophobicContact CD1-CB 3.77Å; I340-F350 HydrophobicContact CD1-CD2 4.47Å; I340-F350 HydrophobicContact CD1-CG 4.19Å; I340-F350 HydrophobicContact CG1-CB 4.35Å; G346-F350 WeakPolarHBondContact O-CB 3.29Å; G346-F350 PolarHBondContact O-N 3.03Å; R347-F350 PolarHBondContact O-N 3.34Å; F350-R352 PolarHBondContact O-N 3.2Å; F350-F353 HydrophobicContact CD2-CD1 4.33Å; F350-F353 HydrophobicContact CE2-CD1 4.3Å; F350-F353 WeakPolarHBondContact O-CB 3.4Å; F350-F353 PolarHBondContact O-N 3.31Å; F350-L354 HydrophobicContact CD1-CD1 4.13Å; F350-L354 HydrophobicContact CE1-CD1 3.77Å; F350-L354 HydrophobicContact CE1-CG 4.39Å; F350-L354 HydrophobicContact CE2-CD2 4.14Å; F350-L354 HydrophobicContact CE2-CG 4.27Å; F350-L354 HydrophobicContact CZ-CD1 4Å; F350-L354 HydrophobicContact CZ-CD2 4.03Å; F350-L354 HydrophobicContact CZ-CG 4.2Å; F350-L354 WeakPolarHBondContact O-CG 3.36Å; F350-L354 PolarHBondContact O-N 3.38Å; F350-L363 HydrophobicContact CD1-CD1 4.34Å; F350-L363 HydrophobicContact CD1-CD2 3.69Å; F350-L363 HydrophobicContact CE1-CD1 4.48Å; F350-L363 HydrophobicContact CE1-CD2 4.29Å; F350-L363 HydrophobicContact CG-CD2 4.5Å; F350-M433 HydrophobicContact CE1-SD 4.2Å; F350-F441 HydrophobicContact CD2-CB 3.74Å; F350-F441 HydrophobicContact CD2-CD1 4.13Å; F350-F441 AromaticContact CD2-CD2 3.92Å; F350-F441 HydrophobicContact CD2-CD2 3.92Å; F350-F441 AromaticContact CD2-CG 3.65Å; F350-F441 HydrophobicContact CD2-CG 3.65Å; F350-F441 HydrophobicContact CE2-CB 3.74Å; F350-F441 HydrophobicContact CE2-CG 4.17Å
351L97.8Very high96.2Very high38 Ų3853 Ų5320%0.19925%0.252CS..Hα-helixtrans-59.8-47.3175.9-177.963.2000111.6R347 D348 F353 L354 E355 L363 R364R347-L351 VanDerWaalsContact O-CB 3.3Å; R347-L351 WeakPolarHBondContact O-CB 3.47Å; R347-L351 PolarHBondContact O-N 2.93Å; D348-L351 PolarHBondContact O-N 3.46Å; L351-F353 VanDerWaalsContact C-N 3.28Å; L351-F353 PolarHBondContact O-N 2.92Å; L351-L354 PolarHBondContact O-N 3.22Å; L351-L354 VanDerWaalsContact O-N 3.13Å; L351-E355 WeakPolarHBondContact O-CG 3.47Å; L351-E355 PolarHBondContact O-N 3.18Å; L351-L363 HydrophobicContact CB-CD2 3.81Å; L351-L363 HydrophobicContact CD1-CB 4.5Å; L351-L363 HydrophobicContact CD1-CD2 4.01Å; L351-R364 HydrophobicContact CD1-CG 4.12Å
352R96.8Very high96.2Very high139 Ų13953.2 Ų53.253%0.52525%0.253SS..Hα-helixtrans-59.1-39.6176.6-73.8176.1-169.81444.5112.4D348 Q349 F350 E355 S356D348-R352 WeakPolarHBondContact O-CG 3.49Å; D348-R352 PolarHBondContact O-N 3.1Å; Q349-R352 VanDerWaalsContact NE2-NH1 3.1Å; Q349-R352 PolarHBondContact O-N 3.16Å; F350-R352 PolarHBondContact O-N 3.2Å; R352-E355 PolarHBondContact O-N 2.93Å; R352-S356 PolarHBondContact O-N 3.49Å; R352-S356 VanDerWaalsContact O-N 3.07Å
353F97.4Very high96.2Very high18 Ų1847 Ų478%0.07923%0.226CC..Hα-helixtrans-61.8-47.8174.4169.3-100.1000111.1Q349 F350 L351 E355 S356 E357 R440 F441Q349-F353 PolarHBondContact O-N 3.25Å; Q349-F353 VanDerWaalsContact O-N 3.08Å; F350-F353 HydrophobicContact CD2-CD1 4.33Å; F350-F353 HydrophobicContact CE2-CD1 4.3Å; F350-F353 WeakPolarHBondContact O-CB 3.4Å; F350-F353 PolarHBondContact O-N 3.31Å; L351-F353 VanDerWaalsContact C-N 3.28Å; L351-F353 PolarHBondContact O-N 2.92Å; F353-E355 VanDerWaalsContact C-N 3.32Å; F353-E355 PolarHBondContact O-N 2.9Å; F353-S356 WeakPolarHBondContact O-CB 3.37Å; F353-S356 PolarHBondContact O-N 2.9Å; F353-S356 VanDerWaalsContact O-N 3.15Å; F353-S356 PolarHBondContact O-OG 3.25Å; F353-E357 WeakPolarHBondContact CE1-OE2 3.13Å; F353-E357 HydrophobicContact CE2-CG 4.4Å; F353-E357 HydrophobicContact CZ-CG 4.3Å; F353-E357 VanDerWaalsContact CZ-OE1 3.23Å; F353-E357 WeakPolarHBondContact CZ-OE1 3.29Å; F353-E357 WeakPolarHBondContact CZ-OE2 3.41Å; F353-E357 PolarHBondContact O-N 3.3Å; F353-R440 HydrophobicContact CE1-CB 4.44Å; F353-R440 HydrophobicContact CZ-CB 4.05Å; F353-F441 HydrophobicContact CB-CD2 3.69Å; F353-F441 HydrophobicContact CB-CE2 4.17Å; F353-F441 HydrophobicContact CD1-CB 3.78Å; F353-F441 AromaticContact CD1-CD2 3.9Å; F353-F441 HydrophobicContact CD1-CD2 3.9Å; F353-F441 HydrophobicContact CD1-CG 4.32Å; F353-F441 HydrophobicContact CD2-CD2 4.29Å; F353-F441 HydrophobicContact CE1-CB 3.82Å; F353-F441 HydrophobicContact CG-CB 4.34Å; F353-F441 AromaticContact CG-CD2 3.69Å; F353-F441 HydrophobicContact CG-CD2 3.69Å; F353-F441 HydrophobicContact CZ-CB 4.41Å
354L96.8Very high96.3Very high0 Ų050.2 Ų50.20%024%0.237CC..Hα-helixtrans-63.7-36177.4-63.4175.7000112.8F350 L351 S356 E357 F358 S359 L363 M433F350-L354 HydrophobicContact CD1-CD1 4.13Å; F350-L354 HydrophobicContact CE1-CD1 3.77Å; F350-L354 HydrophobicContact CE1-CG 4.39Å; F350-L354 HydrophobicContact CE2-CD2 4.14Å; F350-L354 HydrophobicContact CE2-CG 4.27Å; F350-L354 HydrophobicContact CZ-CD1 4Å; F350-L354 HydrophobicContact CZ-CD2 4.03Å; F350-L354 HydrophobicContact CZ-CG 4.2Å; F350-L354 WeakPolarHBondContact O-CG 3.36Å; F350-L354 PolarHBondContact O-N 3.38Å; L351-L354 PolarHBondContact O-N 3.22Å; L351-L354 VanDerWaalsContact O-N 3.13Å; L354-S356 VanDerWaalsContact C-N 3.31Å; L354-E357 CarbonylContact O-C 3.55Å; L354-E357 PolarHBondContact O-N 3.46Å; L354-E357 VanDerWaalsContact O-N 3.16Å; L354-F358 PolarHBondContact O-N 2.95Å; L354-S359 PolarHBondContact O-N 3.39Å; L354-S359 PolarHBondContact O-OG 2.93Å; L354-L363 HydrophobicContact CD1-CB 3.54Å; L354-L363 HydrophobicContact CD1-CD2 3.93Å; L354-L363 HydrophobicContact CD1-CG 4.37Å; L354-M433 HydrophobicContact CD1-SD 4.45Å
355E96.3Very high96.4Very high80 Ų8045.6 Ų45.637%0.37422%0.215SC..Hα-helixtrans-62.7-39.2174.2-73.8174.2166.100111.5L351 R352 F353 E357 F358 R364L351-E355 WeakPolarHBondContact O-CG 3.47Å; L351-E355 PolarHBondContact O-N 3.18Å; R352-E355 PolarHBondContact O-N 2.93Å; F353-E355 VanDerWaalsContact C-N 3.32Å; F353-E355 PolarHBondContact O-N 2.9Å; E355-E357 PolarHBondContact O-N 3.2Å; E355-F358 PolarHBondContact O-N 3.46Å; E355-F358 VanDerWaalsContact O-N 3.16Å; E355-R364 IonicContact OE1-CZ 3.09Å; E355-R364 IonicContact OE1-NH2 3.81Å; E355-R364 PolarHBondContact OE1-NH2 2.84Å
356S94.8Very high96.5Very high83 Ų8346.3 Ų46.358%0.5822%0.216SC*.Hα-helixtrans-65.9-22.1175.578.20000113.6R352 F353 L354R352-S356 PolarHBondContact O-N 3.49Å; R352-S356 VanDerWaalsContact O-N 3.07Å; F353-S356 WeakPolarHBondContact O-CB 3.37Å; F353-S356 PolarHBondContact O-N 2.9Å; F353-S356 VanDerWaalsContact O-N 3.15Å; F353-S356 PolarHBondContact O-OG 3.25Å; L354-S356 VanDerWaalsContact C-N 3.31Å
357E94.2Very high96.5Very high68 Ų6848.9 Ų48.932%0.31823%0.23SC..THydrogen-bonded Turntrans-104.910.1176.6-62.1-169.914800113F353 L354 E355 S359 R440F353-E357 WeakPolarHBondContact CE1-OE2 3.13Å; F353-E357 HydrophobicContact CE2-CG 4.4Å; F353-E357 HydrophobicContact CZ-CG 4.3Å; F353-E357 VanDerWaalsContact CZ-OE1 3.23Å; F353-E357 WeakPolarHBondContact CZ-OE1 3.29Å; F353-E357 WeakPolarHBondContact CZ-OE2 3.41Å; F353-E357 PolarHBondContact O-N 3.3Å; L354-E357 CarbonylContact O-C 3.55Å; L354-E357 PolarHBondContact O-N 3.46Å; L354-E357 VanDerWaalsContact O-N 3.16Å; E355-E357 PolarHBondContact O-N 3.2Å; E357-S359 VanDerWaalsContact C-N 3.27Å; E357-S359 PolarHBondContact O-N 2.84Å; E357-R440 IonicContact OE1-NH1 2.97Å; E357-R440 PolarHBondContact OE1-NH1 3.15Å; E357-R440 IonicContact OE2-CZ 2.74Å; E357-R440 IonicContact OE2-NH1 3.43Å; E357-R440 PolarHBondContact OE2-NH1 3.47Å; E357-R440 IonicContact OE2-NH2 3.27Å
358F90.9Very high96.5Very high189 Ų18947.4 Ų47.483%0.82923%0.227SC*.THydrogen-bonded Turntrans52.440.8-178.5-54.1-86.8000113.9L354 E355L354-F358 PolarHBondContact O-N 2.95Å; E355-F358 PolarHBondContact O-N 3.46Å; E355-F358 VanDerWaalsContact O-N 3.16Å
359S94.4Very high96.6Very high16 Ų1644.6 Ų44.611%0.11221%0.212CC..  trans-132.420.7-178.659.90000114L354 E357 E361L354-S359 PolarHBondContact O-N 3.39Å; L354-S359 PolarHBondContact O-OG 2.93Å; E357-S359 VanDerWaalsContact C-N 3.27Å; E357-S359 PolarHBondContact O-N 2.84Å; S359-E361 VanDerWaalsContact C-N 3.29Å; S359-E361 WeakPolarHBondContact CA-OE1 2.97Å; S359-E361 VanDerWaalsContact CA-OE2 3.23Å; S359-E361 WeakPolarHBondContact CA-OE2 3.38Å; S359-E361 PolarHBondContact O-N 2.99Å
360S96.2Very high96.6Very high14 Ų1445.2 Ų45.210%0.09821%0.214CC..THydrogen-bonded Turntrans-69.7-21.2-175.368.60000114.7N362 L363 R364S360-N362 PolarHBondContact O-N 3.45Å; S360-L363 PolarHBondContact O-N 3.29Å; S360-R364 WeakPolarHBondContact O-CG 3.47Å; S360-R364 PolarHBondContact O-N 3.29Å
361E96.9Very high96.5Very high44 Ų4448 Ų4821%0.20623%0.23CC..Hα-helixtrans-56.6-35.4179.765.4-73.4168.900112.3S359 R364 F365 I400S359-E361 VanDerWaalsContact C-N 3.29Å; S359-E361 WeakPolarHBondContact CA-OE1 2.97Å; S359-E361 VanDerWaalsContact CA-OE2 3.23Å; S359-E361 WeakPolarHBondContact CA-OE2 3.38Å; S359-E361 PolarHBondContact O-N 2.99Å; E361-R364 PolarHBondContact O-N 2.98Å; E361-F365 VanDerWaalsContact O-CB 3.31Å; E361-F365 WeakPolarHBondContact O-CB 3.2Å; E361-F365 PolarHBondContact O-N 3.14Å; E361-I400 HydrophobicContact CB-CG2 4.07Å; E361-I400 HydrophobicContact CG-CG2 3.85Å
362N96.4Very high96.5Very high13 Ų1346.2 Ų46.27%0.0722%0.22CC..Hα-helixtrans-63-46.3178.9-67.1-39.9000112.2S360 W366 I429 M433S360-N362 PolarHBondContact O-N 3.45Å; N362-W366 WeakPolarHBondContact O-CB 3.47Å; N362-W366 PolarHBondContact O-N 3.32Å; N362-I429 HydrophobicContact CB-CG2 3.88Å; N362-I429 WeakPolarHBondContact O-CG2 3.46Å; N362-M433 HydrophobicContact CB-CG 3.97Å; N362-M433 HydrophobicContact CB-SD 3.88Å
363L97.5Very high96.5Very high0 Ų041.9 Ų41.90%021%0.205CC..Hα-helixtrans-71.6-39.8178.7-179.161.1000111.1L341 F350 L351 L354 S360 W366 L367 M433L341-L363 HydrophobicContact CD2-CD1 3.6Å; F350-L363 HydrophobicContact CD1-CD1 4.34Å; F350-L363 HydrophobicContact CD1-CD2 3.69Å; F350-L363 HydrophobicContact CE1-CD1 4.48Å; F350-L363 HydrophobicContact CE1-CD2 4.29Å; F350-L363 HydrophobicContact CG-CD2 4.5Å; L351-L363 HydrophobicContact CB-CD2 3.81Å; L351-L363 HydrophobicContact CD1-CB 4.5Å; L351-L363 HydrophobicContact CD1-CD2 4.01Å; L354-L363 HydrophobicContact CD1-CB 3.54Å; L354-L363 HydrophobicContact CD1-CD2 3.93Å; L354-L363 HydrophobicContact CD1-CG 4.37Å; S360-L363 PolarHBondContact O-N 3.29Å; L363-W366 PolarHBondContact O-N 3.12Å; L363-L367 HydrophobicContact CD1-CD1 4.2Å; L363-L367 HydrophobicContact CD1-CG 4.15Å; L363-L367 HydrophobicContact CG-CD1 3.96Å; L363-L367 HydrophobicContact CG-CG 4.35Å; L363-L367 WeakPolarHBondContact O-CB 3.25Å; L363-L367 VanDerWaalsContact O-CG 3.26Å; L363-L367 WeakPolarHBondContact O-CG 3.4Å; L363-L367 PolarHBondContact O-N 3.07Å; L363-M433 HydrophobicContact CB-SD 3.88Å; L363-M433 HydrophobicContact CD1-CE 4.28Å; L363-M433 HydrophobicContact CD1-SD 4.35Å
364R97.9Very high96.5Very high92 Ų9248.6 Ų48.635%0.34723%0.234SC..Hα-helixtrans-61.4-45.9176.7-69.6178.1-173.7176.34.1111.4L351 E355 S360 E361 L367 S368 F391L351-R364 HydrophobicContact CD1-CG 4.12Å; E355-R364 IonicContact OE1-CZ 3.09Å; E355-R364 IonicContact OE1-NH2 3.81Å; E355-R364 PolarHBondContact OE1-NH2 2.84Å; S360-R364 WeakPolarHBondContact O-CG 3.47Å; S360-R364 PolarHBondContact O-N 3.29Å; E361-R364 PolarHBondContact O-N 2.98Å; R364-L367 PolarHBondContact O-N 3.47Å; R364-S368 WeakPolarHBondContact O-CB 3.29Å; R364-S368 PolarHBondContact O-N 3.4Å; R364-S368 PolarHBondContact O-OG 3.02Å; R364-F391 HydrophobicContact CB-CE1 3.92Å; R364-F391 HydrophobicContact CB-CZ 3.94Å
365F98.2Very high96.5Very high0 Ų050.8 Ų50.80%025%0.245CC..Hα-helixtrans-57-51.5172.9171.3-104.3000111.1E361 L367 S368 V369 I387 F391 L392 I400 F422 A425 I429E361-F365 VanDerWaalsContact O-CB 3.31Å; E361-F365 WeakPolarHBondContact O-CB 3.2Å; E361-F365 PolarHBondContact O-N 3.14Å; F365-L367 VanDerWaalsContact C-N 3.3Å; F365-L367 PolarHBondContact O-N 2.81Å; F365-S368 PolarHBondContact O-N 3.39Å; F365-S368 VanDerWaalsContact O-N 3.14Å; F365-V369 HydrophobicContact CD2-CG2 4.22Å; F365-V369 HydrophobicContact CE1-CG2 4.14Å; F365-V369 HydrophobicContact CE2-CG2 3.77Å; F365-V369 HydrophobicContact CZ-CG2 3.73Å; F365-V369 WeakPolarHBondContact O-CG2 3.3Å; F365-V369 PolarHBondContact O-N 3.49Å; F365-I387 HydrophobicContact CD2-CG2 4.07Å; F365-I387 HydrophobicContact CE2-CG2 3.88Å; F365-F391 HydrophobicContact CB-CB 4.47Å; F365-F391 HydrophobicContact CB-CD1 3.72Å; F365-F391 HydrophobicContact CB-CD2 4.3Å; F365-F391 HydrophobicContact CB-CE1 3.99Å; F365-F391 HydrophobicContact CB-CG 3.91Å; F365-F391 HydrophobicContact CB-CZ 4.4Å; F365-F391 HydrophobicContact CD2-CB 3.69Å; F365-F391 HydrophobicContact CD2-CD1 4.41Å; F365-F391 AromaticContact CD2-CD2 3.86Å; F365-F391 HydrophobicContact CD2-CD2 3.86Å; F365-F391 AromaticContact CD2-CG 3.73Å; F365-F391 HydrophobicContact CD2-CG 3.73Å; F365-F391 HydrophobicContact CE2-CB 4.41Å; F365-F391 HydrophobicContact CG-CB 4.44Å; F365-F391 HydrophobicContact CG-CG 4.29Å; F365-L392 HydrophobicContact CE2-CD1 4.13Å; F365-L392 HydrophobicContact CZ-CD1 4.45Å; F365-I400 HydrophobicContact CB-CD1 4.3Å; F365-I400 HydrophobicContact CB-CG2 3.98Å; F365-I400 HydrophobicContact CD1-CD1 3.54Å; F365-I400 HydrophobicContact CD2-CD1 3.84Å; F365-I400 HydrophobicContact CE1-CD1 3.68Å; F365-I400 HydrophobicContact CE2-CD1 3.99Å; F365-I400 HydrophobicContact CG-CD1 3.61Å; F365-I400 HydrophobicContact CG-CG2 4.45Å; F365-I400 HydrophobicContact CZ-CD1 3.9Å; F365-F422 HydrophobicContact CE2-CD1 4.17Å; F365-F422 HydrophobicContact CZ-CB 4.19Å; F365-F422 HydrophobicContact CZ-CD1 4.27Å; F365-F422 HydrophobicContact CZ-CG 4.48Å; F365-A425 HydrophobicContact CE1-CB 4.11Å; F365-A425 HydrophobicContact CZ-CB 3.78Å; F365-I429 HydrophobicContact CD1-CB 4.24Å; F365-I429 HydrophobicContact CD1-CG1 3.9Å; F365-I429 HydrophobicContact CD1-CG2 4.26Å; F365-I429 HydrophobicContact CE1-CB 4.45Å; F365-I429 HydrophobicContact CE1-CG1 4Å
366W97.7Very high96.5Very high28 Ų2850.1 Ų50.111%0.10625%0.247CC..Hα-helixtrans-58.7-42.6-178.3-174.192.7000112.2L341 N362 L363 V369 Q370 Q426 Y430 M433L341-W366 HydrophobicContact CB-CH2 4.28Å; L341-W366 HydrophobicContact CB-CZ3 4.4Å; L341-W366 HydrophobicContact CD1-CE3 4.44Å; L341-W366 HydrophobicContact CD1-CH2 3.81Å; L341-W366 HydrophobicContact CD1-CZ2 3.93Å; L341-W366 HydrophobicContact CD1-CZ3 4.07Å; L341-W366 HydrophobicContact CD2-CE3 4.42Å; L341-W366 HydrophobicContact CD2-CZ3 4.2Å; L341-W366 HydrophobicContact CG-CZ3 4.48Å; N362-W366 WeakPolarHBondContact O-CB 3.47Å; N362-W366 PolarHBondContact O-N 3.32Å; L363-W366 PolarHBondContact O-N 3.12Å; W366-V369 PolarHBondContact O-N 3.19Å; W366-Q370 HydrophobicContact CD2-CG 4.04Å; W366-Q370 HydrophobicContact CE3-CG 3.77Å; W366-Q370 HydrophobicContact CH2-CG 3.54Å; W366-Q370 HydrophobicContact CZ2-CG 3.81Å; W366-Q370 HydrophobicContact CZ3-CG 3.52Å; W366-Q370 WeakPolarHBondContact O-CG 3.45Å; W366-Q370 PolarHBondContact O-N 3.3Å; W366-Q426 HydrophobicContact CG-CG 4.22Å; W366-Q426 PolarHBondContact O-NE2 2.97Å; W366-Y430 HydrophobicContact CZ2-CD2 4.23Å; W366-Y430 AromaticContact NE1-CD2 3.62Å; W366-M433 HydrophobicContact CB-CE 3.79Å; W366-M433 HydrophobicContact CG-CE 4.07Å
367L97.4Very high96.5Very high55 Ų5552.8 Ų52.829%0.28825%0.254SS..Hα-helixtrans-67-40.3176.5-69.3172.1000112.3L363 R364 F365 V369 Q370 D371L363-L367 HydrophobicContact CD1-CD1 4.2Å; L363-L367 HydrophobicContact CD1-CG 4.15Å; L363-L367 HydrophobicContact CG-CD1 3.96Å; L363-L367 HydrophobicContact CG-CG 4.35Å; L363-L367 WeakPolarHBondContact O-CB 3.25Å; L363-L367 VanDerWaalsContact O-CG 3.26Å; L363-L367 WeakPolarHBondContact O-CG 3.4Å; L363-L367 PolarHBondContact O-N 3.07Å; R364-L367 PolarHBondContact O-N 3.47Å; F365-L367 VanDerWaalsContact C-N 3.3Å; F365-L367 PolarHBondContact O-N 2.81Å; L367-V369 VanDerWaalsContact C-N 3.31Å; L367-V369 PolarHBondContact O-N 2.68Å; L367-Q370 WeakPolarHBondContact O-CB 3.31Å; L367-Q370 PolarHBondContact O-N 2.75Å; L367-D371 WeakPolarHBondContact O-CB 3.42Å; L367-D371 PolarHBondContact O-N 2.88Å
368S97.8Very high96.6Very high16 Ų1657.3 Ų57.311%0.11228%0.275CS..Hα-helixtrans-61.4-38.9174.9-72.70000112.1R364 F365 D371 L372 R383 I387R364-S368 WeakPolarHBondContact O-CB 3.29Å; R364-S368 PolarHBondContact O-N 3.4Å; R364-S368 PolarHBondContact O-OG 3.02Å; F365-S368 PolarHBondContact O-N 3.39Å; F365-S368 VanDerWaalsContact O-N 3.14Å; S368-D371 PolarHBondContact O-N 3.32Å; S368-L372 PolarHBondContact O-N 2.98Å; S368-R383 PolarHBondContact OG-NH2 2.97Å; S368-I387 WeakPolarHBondContact O-CD1 3.38Å
369V97.8Very high96.9Very high1 Ų151.2 Ų51.21%0.00625%0.251CS..Hα-helixtrans-70.6-36174.3179.90000111.9F365 W366 L367 D371 L372 K373 I387 F422 Q426F365-V369 HydrophobicContact CD2-CG2 4.22Å; F365-V369 HydrophobicContact CE1-CG2 4.14Å; F365-V369 HydrophobicContact CE2-CG2 3.77Å; F365-V369 HydrophobicContact CZ-CG2 3.73Å; F365-V369 WeakPolarHBondContact O-CG2 3.3Å; F365-V369 PolarHBondContact O-N 3.49Å; W366-V369 PolarHBondContact O-N 3.19Å; L367-V369 VanDerWaalsContact C-N 3.31Å; L367-V369 PolarHBondContact O-N 2.68Å; V369-D371 VanDerWaalsContact C-N 3.3Å; V369-D371 PolarHBondContact O-N 3.23Å; V369-L372 WeakPolarHBondContact O-CB 3.49Å; V369-L372 PolarHBondContact O-N 3.29Å; V369-K373 PolarHBondContact O-N 2.71Å; V369-I387 HydrophobicContact CG2-CG2 4.33Å; V369-F422 HydrophobicContact CB-CB 4.44Å; V369-F422 HydrophobicContact CG1-CB 3.85Å; V369-F422 HydrophobicContact CG2-CB 3.63Å; V369-F422 HydrophobicContact CG2-CD2 4.12Å; V369-F422 HydrophobicContact CG2-CG 3.98Å; V369-Q426 HydrophobicContact CB-CB 4.46Å; V369-Q426 HydrophobicContact CB-CG 4.31Å; V369-Q426 HydrophobicContact CG1-CB 4.03Å; V369-Q426 VanDerWaalsContact CG1-CD 3.42Å; V369-Q426 HydrophobicContact CG1-CG 4.11Å
370Q96.6Very high97Very high55 Ų5550.8 Ų50.826%0.25725%0.248SC..Hα-helixtrans-63-38.1171.9-73.5-61-28.400112.3W366 L367W366-Q370 HydrophobicContact CD2-CG 4.04Å; W366-Q370 HydrophobicContact CE3-CG 3.77Å; W366-Q370 HydrophobicContact CH2-CG 3.54Å; W366-Q370 HydrophobicContact CZ2-CG 3.81Å; W366-Q370 HydrophobicContact CZ3-CG 3.52Å; W366-Q370 WeakPolarHBondContact O-CG 3.45Å; W366-Q370 PolarHBondContact O-N 3.3Å; L367-Q370 WeakPolarHBondContact O-CB 3.31Å; L367-Q370 PolarHBondContact O-N 2.75Å
371D97Very high97Very high59 Ų5953.3 Ų53.332%0.31627%0.27SS..Hα-helixtrans-66.4-46.2174.8177.270.4000111.3L367 S368 V369 K373 K374 Q375 R383L367-D371 WeakPolarHBondContact O-CB 3.42Å; L367-D371 PolarHBondContact O-N 2.88Å; S368-D371 PolarHBondContact O-N 3.32Å; V369-D371 VanDerWaalsContact C-N 3.3Å; V369-D371 PolarHBondContact O-N 3.23Å; D371-K373 PolarHBondContact O-N 2.8Å; D371-K374 WeakPolarHBondContact O-CA 3.35Å; D371-K374 WeakPolarHBondContact O-CB 3.07Å; D371-K374 PolarHBondContact O-N 3Å; D371-Q375 VanDerWaalsContact CG-NE2 3.32Å; D371-Q375 PolarHBondContact O-N 2.94Å; D371-Q375 PolarHBondContact OD1-NE2 3.33Å; D371-Q375 PolarHBondContact OD2-NE2 2.93Å; D371-R383 IonicContact OD2-CZ 3.97Å; D371-R383 IonicContact OD2-NE 3.28Å; D371-R383 PolarHBondContact OD2-NE 3.04Å; D371-R383 IonicContact OD2-NH2 2.81Å
372L97.8Very high97Very high0 Ų058 Ų580%029%0.289CS..Hα-helixtrans-50.3-44.1175.4173.967.7000112.6S368 V369 K374 Q375 V380 R383 V384 I387 F422S368-L372 PolarHBondContact O-N 2.98Å; V369-L372 WeakPolarHBondContact O-CB 3.49Å; V369-L372 PolarHBondContact O-N 3.29Å; L372-K374 PolarHBondContact O-N 3.37Å; L372-K374 VanDerWaalsContact O-N 3.16Å; L372-Q375 PolarHBondContact O-N 3Å; L372-Q375 VanDerWaalsContact O-N 3.16Å; L372-V380 HydrophobicContact CD1-CG1 4.11Å; L372-R383 HydrophobicContact CB-CG 4.22Å; L372-R383 HydrophobicContact CD1-CB 3.66Å; L372-R383 HydrophobicContact CD1-CG 3.66Å; L372-V384 HydrophobicContact CD1-CG2 3.89Å; L372-V384 HydrophobicContact CD2-CG2 3.84Å; L372-I387 HydrophobicContact CB-CD1 3.89Å; L372-I387 HydrophobicContact CD2-CD1 4.24Å; L372-F422 HydrophobicContact CD2-CD2 3.59Å; L372-F422 HydrophobicContact CD2-CE2 3.82Å
373K96.9Very high97Very high49 Ų4959.6 Ų59.621%0.21329%0.294CS..THydrogen-bonded Turntrans-62.3-21.6179.7-73.4174.5175.5-179.10113.2V369 D371 R419V369-K373 PolarHBondContact O-N 2.71Å; D371-K373 PolarHBondContact O-N 2.8Å; K373-R419 VanDerWaalsContact CG-O 3.29Å; K373-R419 WeakPolarHBondContact CG-O 3.46Å
374K96.4Very high97Very high159 Ų15959.8 Ų59.869%0.69130%0.296SS*.THydrogen-bonded Turntrans-99.2-9.8-179.6-60.4173.1-171.8174.30113.2D371 L372D371-K374 WeakPolarHBondContact O-CA 3.35Å; D371-K374 WeakPolarHBondContact O-CB 3.07Å; D371-K374 PolarHBondContact O-N 3Å; L372-K374 PolarHBondContact O-N 3.37Å; L372-K374 VanDerWaalsContact O-N 3.16Å
375Q96.8Very high96.9Very high46 Ų4659.7 Ų59.722%0.21530%0.299CS..SBendtrans-66.5146.5-178.8-68.8-60-27.900112.5D371 L372 V380 R383 R419D371-Q375 VanDerWaalsContact CG-NE2 3.32Å; D371-Q375 PolarHBondContact O-N 2.94Å; D371-Q375 PolarHBondContact OD1-NE2 3.33Å; D371-Q375 PolarHBondContact OD2-NE2 2.93Å; L372-Q375 PolarHBondContact O-N 3Å; L372-Q375 VanDerWaalsContact O-N 3.16Å; Q375-V380 HydrophobicContact CB-CG2 4.35Å; Q375-R383 HydrophobicContact CG-CG 4.24Å; Q375-R419 PolarHBondContact O-NH2 2.7Å
376P96.8Very high96.9Very high65 Ų6563.2 Ų63.242%0.42232%0.316SS..  trans-54.5144167-22.434000111.1Q378 D379 V380P376-Q378 HydrophobicContact CB-CG 4.21Å; P376-Q378 PolarHBondContact O-N 2.86Å; P376-Q378 VanDerWaalsContact O-N 3.08Å; P376-D379 PolarHBondContact O-N 3.28Å; P376-V380 PolarHBondContact O-N 2.7Å
377L95.8Very high96.9Very high139 Ų13961.9 Ų61.973%0.72831%0.311SS*.Hα-helixtrans-54.4-34.3-174.3-78.3166000113.6D379 V380L377-D379 VanDerWaalsContact C-N 3.27Å; L377-D379 PolarHBondContact O-N 2.87Å; L377-V380 PolarHBondContact O-N 3.4Å
378Q96.2Very high96.9Very high164 Ų16460.7 Ų60.777%0.76630%0.302SS*.Hα-helixtrans-64.3-28.2178.670.2-171.918.800113.7P376P376-Q378 HydrophobicContact CB-CG 4.21Å; P376-Q378 PolarHBondContact O-N 2.86Å; P376-Q378 VanDerWaalsContact O-N 3.08Å
379D96.4Very high96.9Very high61 Ų6164.5 Ų64.533%0.32632%0.318SS..Hα-helixtrans-96.3-13.2-175.1-60.6-50.7000112.1P376 L377 A381 K382 R383P376-D379 PolarHBondContact O-N 3.28Å; L377-D379 VanDerWaalsContact C-N 3.27Å; L377-D379 PolarHBondContact O-N 2.87Å; D379-A381 PolarHBondContact O-N 3.05Å; D379-K382 PolarHBondContact O-N 3.47Å; D379-R383 WeakPolarHBondContact O-CB 3.01Å; D379-R383 PolarHBondContact O-N 3Å
380V96.9Very high96.9Very high6 Ų667.6 Ų67.64%0.03633%0.333CS..Hα-helixtrans-56.8-49.5-176.9169.40000111.6L372 Q375 P376 L377 K382 R383 V384 R419L372-V380 HydrophobicContact CD1-CG1 4.11Å; Q375-V380 HydrophobicContact CB-CG2 4.35Å; P376-V380 PolarHBondContact O-N 2.7Å; L377-V380 PolarHBondContact O-N 3.4Å; V380-K382 VanDerWaalsContact C-N 3.33Å; V380-K382 PolarHBondContact O-N 3.34Å; V380-R383 PolarHBondContact O-N 3.44Å; V380-V384 HydrophobicContact CG1-CG2 4.31Å; V380-V384 WeakPolarHBondContact O-CG2 3.46Å; V380-V384 PolarHBondContact O-N 3.1Å; V380-R419 HydrophobicContact CG1-CG 4.27Å; V380-R419 HydrophobicContact CG2-CG 3.84Å
381A95.6Very high96.9Very high68 Ų6865 Ų6556%0.56232%0.321SS*.Hα-helixtrans-61-43.4-17700000111.9D379 V384 E385D379-A381 PolarHBondContact O-N 3.05Å; A381-V384 PolarHBondContact O-N 3.26Å; A381-E385 PolarHBondContact O-N 3.48Å
382K96.1Very high96.9Very high142 Ų14262.7 Ų62.762%0.61731%0.308SS*.Hα-helixtrans-63.8-45.5176-174.8-172.4176.7-155.90111.1D379 V380 V384 E385 E386D379-K382 PolarHBondContact O-N 3.47Å; V380-K382 VanDerWaalsContact C-N 3.33Å; V380-K382 PolarHBondContact O-N 3.34Å; K382-V384 VanDerWaalsContact C-N 3.31Å; K382-V384 PolarHBondContact O-N 3.29Å; K382-E385 PolarHBondContact O-N 2.69Å; K382-E386 WeakPolarHBondContact CE-OE1 3.44Å; K382-E386 IonicContact NZ-OE1 3.57Å; K382-E386 WeakPolarHBondContact O-CG 3.42Å; K382-E386 PolarHBondContact O-N 2.94Å
383R97.6Very high96.7Very high46 Ų4663.1 Ų63.117%0.17431%0.312CS..Hα-helixtrans-65.5-34.3-179.4-171.764174.6142.99.1112.3S368 D371 L372 Q375 D379 V380 E386 I387S368-R383 PolarHBondContact OG-NH2 2.97Å; D371-R383 IonicContact OD2-CZ 3.97Å; D371-R383 IonicContact OD2-NE 3.28Å; D371-R383 PolarHBondContact OD2-NE 3.04Å; D371-R383 IonicContact OD2-NH2 2.81Å; L372-R383 HydrophobicContact CB-CG 4.22Å; L372-R383 HydrophobicContact CD1-CB 3.66Å; L372-R383 HydrophobicContact CD1-CG 3.66Å; Q375-R383 HydrophobicContact CG-CG 4.24Å; D379-R383 WeakPolarHBondContact O-CB 3.01Å; D379-R383 PolarHBondContact O-N 3Å; V380-R383 PolarHBondContact O-N 3.44Å; R383-E386 WeakPolarHBondContact CD-OE2 3.32Å; R383-E386 IonicContact NH1-OE2 2.75Å; R383-E386 PolarHBondContact NH1-OE2 2.85Å; R383-E386 VanDerWaalsContact NH1-OE2 3.09Å; R383-E386 PolarHBondContact O-N 2.87Å; R383-I387 HydrophobicContact CG-CD1 4.06Å; R383-I387 VanDerWaalsContact O-CG1 3.25Å; R383-I387 WeakPolarHBondContact O-CG1 3.4Å; R383-I387 PolarHBondContact O-N 3.32Å; R383-I387 VanDerWaalsContact O-N 3.07Å
384V97.8Very high96.5Very high4 Ų466.4 Ų66.42%0.02434%0.338CS..Hα-helixtrans-60-48.2173167.50000110.7L372 V380 A381 K382 E386 I387 W388 V414 T421 F422L372-V384 HydrophobicContact CD1-CG2 3.89Å; L372-V384 HydrophobicContact CD2-CG2 3.84Å; V380-V384 HydrophobicContact CG1-CG2 4.31Å; V380-V384 WeakPolarHBondContact O-CG2 3.46Å; V380-V384 PolarHBondContact O-N 3.1Å; A381-V384 PolarHBondContact O-N 3.26Å; K382-V384 VanDerWaalsContact C-N 3.31Å; K382-V384 PolarHBondContact O-N 3.29Å; V384-E386 PolarHBondContact O-N 3.35Å; V384-I387 PolarHBondContact O-N 3.46Å; V384-W388 WeakPolarHBondContact O-CB 3.39Å; V384-W388 PolarHBondContact O-N 3.46Å; V384-V414 HydrophobicContact CG1-CB 4.49Å; V384-V414 HydrophobicContact CG1-CG1 4.16Å; V384-V414 HydrophobicContact CG1-CG2 4.15Å; V384-T421 HydrophobicContact CG1-CG2 3.98Å; V384-F422 HydrophobicContact CB-CE2 4.23Å; V384-F422 HydrophobicContact CG1-CE2 3.99Å; V384-F422 HydrophobicContact CG1-CZ 3.97Å; V384-F422 HydrophobicContact CG2-CE2 4.13Å; V384-F422 WeakPolarHBondContact O-CZ 3.23Å
385E96.3Very high96.3Very high90 Ų9062.8 Ų62.842%0.42135%0.346SS..Hα-helixtrans-62.3-44.3179-172.161.1-145.600111.6A381 K382 I387 W388 Q389A381-E385 PolarHBondContact O-N 3.48Å; K382-E385 PolarHBondContact O-N 2.69Å; E385-I387 PolarHBondContact O-N 3.25Å; E385-W388 PolarHBondContact O-N 3.05Å; E385-Q389 HydrophobicContact CG-CG 4.4Å; E385-Q389 VanDerWaalsContact O-CG 3.3Å; E385-Q389 WeakPolarHBondContact O-CG 3.48Å; E385-Q389 PolarHBondContact O-N 3.09Å; E385-Q389 WeakPolarHBondContact OE1-CG 3.49Å; E385-Q389 PolarHBondContact OE1-NE2 2.85Å
386E97.3Very high96.2Very high75 Ų7561.2 Ų61.235%0.3534%0.341SS..Hα-helixtrans-57.1-47.5176.7-71171.9-177.900112.2K382 R383 V384 Q389 E390K382-E386 WeakPolarHBondContact CE-OE1 3.44Å; K382-E386 IonicContact NZ-OE1 3.57Å; K382-E386 WeakPolarHBondContact O-CG 3.42Å; K382-E386 PolarHBondContact O-N 2.94Å; R383-E386 WeakPolarHBondContact CD-OE2 3.32Å; R383-E386 IonicContact NH1-OE2 2.75Å; R383-E386 PolarHBondContact NH1-OE2 2.85Å; R383-E386 VanDerWaalsContact NH1-OE2 3.09Å; R383-E386 PolarHBondContact O-N 2.87Å; V384-E386 PolarHBondContact O-N 3.35Å; E386-Q389 PolarHBondContact O-N 3.2Å; E386-E390 WeakPolarHBondContact O-CB 3.42Å; E386-E390 PolarHBondContact O-N 2.56Å
387I97.9Very high96.1Very high0 Ų063.4 Ų63.40%036%0.355CS..Hα-helixtrans-65.3-41179.4-67171000110.8F365 S368 V369 L372 R383 V384 E385 E390 F391 F422F365-I387 HydrophobicContact CD2-CG2 4.07Å; F365-I387 HydrophobicContact CE2-CG2 3.88Å; S368-I387 WeakPolarHBondContact O-CD1 3.38Å; V369-I387 HydrophobicContact CG2-CG2 4.33Å; L372-I387 HydrophobicContact CB-CD1 3.89Å; L372-I387 HydrophobicContact CD2-CD1 4.24Å; R383-I387 HydrophobicContact CG-CD1 4.06Å; R383-I387 VanDerWaalsContact O-CG1 3.25Å; R383-I387 WeakPolarHBondContact O-CG1 3.4Å; R383-I387 PolarHBondContact O-N 3.32Å; R383-I387 VanDerWaalsContact O-N 3.07Å; V384-I387 PolarHBondContact O-N 3.46Å; E385-I387 PolarHBondContact O-N 3.25Å; I387-E390 PolarHBondContact O-N 2.85Å; I387-F391 HydrophobicContact CG2-CD2 4.08Å; I387-F391 WeakPolarHBondContact O-CD2 3.49Å; I387-F391 PolarHBondContact O-N 2.58Å; I387-F391 VanDerWaalsContact O-N 3.12Å; I387-F422 HydrophobicContact CB-CE2 3.91Å; I387-F422 HydrophobicContact CB-CZ 3.9Å; I387-F422 HydrophobicContact CD1-CE2 4.31Å; I387-F422 HydrophobicContact CG2-CD1 4.4Å; I387-F422 HydrophobicContact CG2-CD2 4.18Å; I387-F422 HydrophobicContact CG2-CE1 4.02Å; I387-F422 HydrophobicContact CG2-CE2 3.76Å; I387-F422 HydrophobicContact CG2-CG 4.49Å; I387-F422 HydrophobicContact CG2-CZ 3.69Å
388W96.9Very high96Very high29 Ų2958.1 Ų58.111%0.1133%0.33CS..Hα-helixtrans-60-50176.2176.2-101000111.1V384 E385 E390 L392 A393 Y407 T410 V414 F422V384-W388 WeakPolarHBondContact O-CB 3.39Å; V384-W388 PolarHBondContact O-N 3.46Å; E385-W388 PolarHBondContact O-N 3.05Å; W388-E390 VanDerWaalsContact C-N 3.34Å; W388-E390 PolarHBondContact O-N 3Å; W388-L392 HydrophobicContact CD2-CB 4.13Å; W388-L392 HydrophobicContact CE3-CB 3.57Å; W388-L392 HydrophobicContact CE3-CD1 3.94Å; W388-L392 HydrophobicContact CE3-CG 4.41Å; W388-L392 HydrophobicContact CH2-CB 4.37Å; W388-L392 HydrophobicContact CZ3-CB 3.73Å; W388-L392 HydrophobicContact CZ3-CD1 4.05Å; W388-L392 CarbonylContact O-C 3.6Å; W388-L392 PolarHBondContact O-N 2.81Å; W388-A393 PolarHBondContact O-N 3.13Å; W388-Y407 HydrophobicContact CH2-CE2 4.07Å; W388-Y407 AromaticContact CH2-CZ 3.94Å; W388-T410 HydrophobicContact CE3-CG2 4.47Å; W388-T410 HydrophobicContact CZ3-CG2 4.2Å; W388-V414 HydrophobicContact CB-CG1 4.47Å; W388-V414 HydrophobicContact CD2-CG1 4.37Å; W388-V414 HydrophobicContact CD2-CG2 4.25Å; W388-V414 HydrophobicContact CE3-CG2 3.74Å; W388-V414 HydrophobicContact CG-CG1 4.28Å; W388-V414 HydrophobicContact CZ3-CG2 4.31Å; W388-F422 HydrophobicContact CB-CZ 4.38Å; W388-F422 HydrophobicContact CE3-CE1 4.42Å
389Q97.3Very high95.9Very high96 Ų9653.3 Ų53.345%0.44932%0.318SS..Hα-helixtrans-65.1-34.7-179.2-66-60.8-28.100113.2E385 E386 P397E385-Q389 HydrophobicContact CG-CG 4.4Å; E385-Q389 VanDerWaalsContact O-CG 3.3Å; E385-Q389 WeakPolarHBondContact O-CG 3.48Å; E385-Q389 PolarHBondContact O-N 3.09Å; E385-Q389 WeakPolarHBondContact OE1-CG 3.49Å; E385-Q389 PolarHBondContact OE1-NE2 2.85Å; E386-Q389 PolarHBondContact O-N 3.2Å; Q389-P397 WeakPolarHBondContact O-CD 3.46Å
390E97.8Very high95.8Very high66 Ų6651.3 Ų51.331%0.30831%0.307SS..Hα-helixtrans-76-37.8-177.9-173177.7176.300113.3E386 I387 W388 A396 P397 S398E386-E390 WeakPolarHBondContact O-CB 3.42Å; E386-E390 PolarHBondContact O-N 2.56Å; I387-E390 PolarHBondContact O-N 2.85Å; W388-E390 VanDerWaalsContact C-N 3.34Å; W388-E390 PolarHBondContact O-N 3Å; E390-A396 WeakPolarHBondContact O-CB 3.32Å; E390-P397 WeakPolarHBondContact O-CD 3.29Å; E390-S398 CarbonylContact O-C 3.52Å; E390-S398 PolarHBondContact O-N 3.32Å
391F97.5Very high95.4Very high1 Ų157 Ų570%0.00434%0.338CS..Hα-helixtrans-119.9-23.5-167.2-61.2-76.7000115.8R364 F365 I387 S398 A399 I400R364-F391 HydrophobicContact CB-CE1 3.92Å; R364-F391 HydrophobicContact CB-CZ 3.94Å; F365-F391 HydrophobicContact CB-CB 4.47Å; F365-F391 HydrophobicContact CB-CD1 3.72Å; F365-F391 HydrophobicContact CB-CD2 4.3Å; F365-F391 HydrophobicContact CB-CE1 3.99Å; F365-F391 HydrophobicContact CB-CG 3.91Å; F365-F391 HydrophobicContact CB-CZ 4.4Å; F365-F391 HydrophobicContact CD2-CB 3.69Å; F365-F391 HydrophobicContact CD2-CD1 4.41Å; F365-F391 AromaticContact CD2-CD2 3.86Å; F365-F391 HydrophobicContact CD2-CD2 3.86Å; F365-F391 AromaticContact CD2-CG 3.73Å; F365-F391 HydrophobicContact CD2-CG 3.73Å; F365-F391 HydrophobicContact CE2-CB 4.41Å; F365-F391 HydrophobicContact CG-CB 4.44Å; F365-F391 HydrophobicContact CG-CG 4.29Å; I387-F391 HydrophobicContact CG2-CD2 4.08Å; I387-F391 WeakPolarHBondContact O-CD2 3.49Å; I387-F391 PolarHBondContact O-N 2.58Å; I387-F391 VanDerWaalsContact O-N 3.12Å; F391-S398 VanDerWaalsContact CD1-O 3.29Å; F391-S398 WeakPolarHBondContact CD1-O 3.33Å; F391-A399 WeakPolarHBondContact O-CA 3.36Å; F391-I400 HydrophobicContact CB-CG1 4.34Å; F391-I400 HydrophobicContact CB-CG2 4.46Å; F391-I400 HydrophobicContact CD1-CG2 4.1Å; F391-I400 PolarHBondContact O-N 2.98Å
392L96Very high95.2Very high10 Ų1054.8 Ų54.85%0.05232%0.316CS..THydrogen-bonded Turntrans-129.2-23.7-167.7-69.2175.9000115.1F365 W388 I400 L402 Y407 T410 F422F365-L392 HydrophobicContact CE2-CD1 4.13Å; F365-L392 HydrophobicContact CZ-CD1 4.45Å; W388-L392 HydrophobicContact CD2-CB 4.13Å; W388-L392 HydrophobicContact CE3-CB 3.57Å; W388-L392 HydrophobicContact CE3-CD1 3.94Å; W388-L392 HydrophobicContact CE3-CG 4.41Å; W388-L392 HydrophobicContact CH2-CB 4.37Å; W388-L392 HydrophobicContact CZ3-CB 3.73Å; W388-L392 HydrophobicContact CZ3-CD1 4.05Å; W388-L392 CarbonylContact O-C 3.6Å; W388-L392 PolarHBondContact O-N 2.81Å; L392-I400 HydrophobicContact CD2-CD1 3.78Å; L392-I400 HydrophobicContact CD2-CG1 3.55Å; L392-I400 HydrophobicContact CG-CD1 4.4Å; L392-I400 HydrophobicContact CG-CG1 4.34Å; L392-L402 HydrophobicContact CD1-CD1 4.31Å; L392-L402 HydrophobicContact CD2-CD1 3.38Å; L392-L402 HydrophobicContact CD2-CG 4.11Å; L392-L402 HydrophobicContact CG-CD1 4.49Å; L392-Y407 HydrophobicContact CD2-CD2 4.36Å; L392-Y407 WeakPolarHBondContact O-CE2 3.27Å; L392-T410 HydrophobicContact CD1-CG2 3.82Å; L392-F422 HydrophobicContact CD1-CD1 3.99Å; L392-F422 HydrophobicContact CD1-CE1 3.94Å
393A94.2Very high95Very high9 Ų951.1 Ų51.17%0.07430%0.303CS..SBendtrans-60.3151.2178.300000111.6W388 G395 A396W388-A393 PolarHBondContact O-N 3.13Å; A393-G395 PolarHBondContact O-N 3.48Å; A393-G395 VanDerWaalsContact O-N 3.11Å; A393-A396 WeakPolarHBondContact O-CB 3.3Å; A393-A396 PolarHBondContact O-N 3.29Å
394P92.3Very high94.6Very high118 Ų11853.1 Ų53.177%0.76633%0.325SS*.THydrogen-bonded Turntrans-56.9119.2173.6-24.434.3000111.2
395G92.1Very high94.3Very high84 Ų8458.7 Ų58.787%0.86635%0.35SS*.THydrogen-bonded Turntrans80.118.2-175.400000114.6A393A393-G395 PolarHBondContact O-N 3.48Å; A393-G395 VanDerWaalsContact O-N 3.11Å
396A95Very high94.1Very high13 Ų1354.9 Ų54.911%0.10733%0.333CS..  trans-52.4138.217600000112.1E390 A393 S398 A399E390-A396 WeakPolarHBondContact O-CB 3.32Å; A393-A396 WeakPolarHBondContact O-CB 3.3Å; A393-A396 PolarHBondContact O-N 3.29Å; A396-S398 PolarHBondContact O-N 3.31Å; A396-A399 HydrophobicContact CB-CB 4.17Å; A396-A399 PolarHBondContact O-N 3.09Å
397P94.1Very high93.9Very high111 Ų11155 Ų5572%0.72133%0.331SS*.THydrogen-bonded Turntrans-66.6-23.8-176.227.6-35.7000113.4Q389 E390Q389-P397 WeakPolarHBondContact O-CD 3.46Å; E390-P397 WeakPolarHBondContact O-CD 3.29Å
398S94.9Very high93.7Very high28 Ų2860.8 Ų60.820%0.19636%0.358CS..THydrogen-bonded Turntrans-130.150.1176.5-67.40000110.3E390 F391 A396 I400E390-S398 CarbonylContact O-C 3.52Å; E390-S398 PolarHBondContact O-N 3.32Å; F391-S398 VanDerWaalsContact CD1-O 3.29Å; F391-S398 WeakPolarHBondContact CD1-O 3.33Å; A396-S398 PolarHBondContact O-N 3.31Å; S398-I400 PolarHBondContact O-N 3.05Å
399A93.9Very high93.5Very high63 Ų6361.5 Ų61.552%0.52136%0.363SS..  trans-55.3121.7-176.600000112.5F391 A396F391-A399 WeakPolarHBondContact O-CA 3.36Å; A396-A399 HydrophobicContact CB-CB 4.17Å; A396-A399 PolarHBondContact O-N 3.09Å
400I95Very high93.3Very high18 Ų1856.9 Ų56.99%0.09234%0.342CS..  trans-89.1152.5174.858.1165.2000111.2E361 F365 F391 L392 S398 L402 I429E361-I400 HydrophobicContact CB-CG2 4.07Å; E361-I400 HydrophobicContact CG-CG2 3.85Å; F365-I400 HydrophobicContact CB-CD1 4.3Å; F365-I400 HydrophobicContact CB-CG2 3.98Å; F365-I400 HydrophobicContact CD1-CD1 3.54Å; F365-I400 HydrophobicContact CD2-CD1 3.84Å; F365-I400 HydrophobicContact CE1-CD1 3.68Å; F365-I400 HydrophobicContact CE2-CD1 3.99Å; F365-I400 HydrophobicContact CG-CD1 3.61Å; F365-I400 HydrophobicContact CG-CG2 4.45Å; F365-I400 HydrophobicContact CZ-CD1 3.9Å; F391-I400 HydrophobicContact CB-CG1 4.34Å; F391-I400 HydrophobicContact CB-CG2 4.46Å; F391-I400 HydrophobicContact CD1-CG2 4.1Å; F391-I400 PolarHBondContact O-N 2.98Å; L392-I400 HydrophobicContact CD2-CD1 3.78Å; L392-I400 HydrophobicContact CD2-CG1 3.55Å; L392-I400 HydrophobicContact CG-CD1 4.4Å; L392-I400 HydrophobicContact CG-CG1 4.34Å; S398-I400 PolarHBondContact O-N 3.05Å; I400-L402 HydrophobicContact CD1-CD1 4.07Å; I400-L402 HydrophobicContact CD1-CD2 4.07Å; I400-L402 HydrophobicContact CD1-CG 3.86Å; I400-L402 HydrophobicContact CG1-CG 4.22Å; I400-I429 HydrophobicContact CB-CD1 4.29Å; I400-I429 HydrophobicContact CD1-CD1 3.92Å; I400-I429 HydrophobicContact CD1-CG1 3.82Å
401N88.5Confident93Very high127 Ų12755.8 Ų55.868%0.67934%0.342SS*.  trans-87113.8174-169.614.4000110.1
402L91.3Very high92.8Very high21 Ų2162.2 Ų62.211%0.1137%0.372CS..  trans-119.5149.5174.2-73-176.4000110.4L392 I400 A425 H428 I429L392-L402 HydrophobicContact CD1-CD1 4.31Å; L392-L402 HydrophobicContact CD2-CD1 3.38Å; L392-L402 HydrophobicContact CD2-CG 4.11Å; L392-L402 HydrophobicContact CG-CD1 4.49Å; I400-L402 HydrophobicContact CD1-CD1 4.07Å; I400-L402 HydrophobicContact CD1-CD2 4.07Å; I400-L402 HydrophobicContact CD1-CG 3.86Å; I400-L402 HydrophobicContact CG1-CG 4.22Å; L402-A425 HydrophobicContact CD1-CB 3.64Å; L402-A425 HydrophobicContact CD2-CB 4.2Å; L402-H428 HydrophobicContact CD2-CB 4.2Å; L402-I429 HydrophobicContact CD2-CD1 3.74Å; L402-I429 HydrophobicContact CD2-CG1 3.69Å
403D90.6Very high92.7Very high64 Ų6464.5 Ų64.534%0.34238%0.384SS..  trans-64.8155.8166.766.243.4000111.7H405 S406 Y407 H428D403-H405 PolarHBondContact O-N 2.99Å; D403-H405 PolarHBondContact OD1-N 2.94Å; D403-S406 PolarHBondContact O-N 3.16Å; D403-S406 WeakPolarHBondContact OD1-CB 3.5Å; D403-S406 PolarHBondContact OD1-N 3.19Å; D403-S406 PolarHBondContact OD1-OG 3.5Å; D403-S406 PolarHBondContact OD2-OG 3.41Å; D403-Y407 WeakPolarHBondContact O-CB 3.48Å; D403-Y407 PolarHBondContact O-N 2.95Å; D403-Y407 VanDerWaalsContact O-N 3.07Å; D403-H428 IonicContact OD2-CE1 2.75Å; D403-H428 PolarHBondContact OD2-CE1 3.18Å; D403-H428 IonicContact OD2-ND1 2.71Å; D403-H428 PolarHBondContact OD2-ND1 3.48Å
404S90.8Very high92.6Very high89 Ų8965.2 Ų65.262%0.62239%0.387SS*.Hα-helixtrans-59.6-35.6-175.357.50000112.3E408S404-E408 WeakPolarHBondContact O-CB 3.4Å; S404-E408 VanDerWaalsContact O-CG 3.27Å; S404-E408 WeakPolarHBondContact O-CG 3.34Å; S404-E408 PolarHBondContact O-N 3.17Å
405H91.1Very high92.5Very high121 Ų12168 Ų6856%0.5639%0.387SS*.Hα-helixtrans-66.2-49.8-178.5-176.359000112.1D403 Y407 E408 I409D403-H405 PolarHBondContact O-N 2.99Å; D403-H405 PolarHBondContact OD1-N 2.94Å; H405-Y407 VanDerWaalsContact C-N 3.31Å; H405-Y407 PolarHBondContact O-N 3.28Å; H405-E408 PolarHBondContact O-N 2.95Å; H405-I409 WeakPolarHBondContact NE2-CD1 3.33Å; H405-I409 WeakPolarHBondContact O-CG1 3.42Å; H405-I409 PolarHBondContact O-N 3.35Å; H405-I409 VanDerWaalsContact O-N 3.07Å
406S91.8Very high92.4Very high9 Ų971 Ų716%0.06338%0.383CS..Hα-helixtrans-65-37.6178.9-53.80000111.1D403 T410D403-S406 PolarHBondContact O-N 3.16Å; D403-S406 WeakPolarHBondContact OD1-CB 3.5Å; D403-S406 PolarHBondContact OD1-N 3.19Å; D403-S406 PolarHBondContact OD1-OG 3.5Å; D403-S406 PolarHBondContact OD2-OG 3.41Å; S406-T410 VanDerWaalsContact O-CB 3.27Å; S406-T410 WeakPolarHBondContact O-CB 3.34Å; S406-T410 PolarHBondContact O-N 3.39Å; S406-T410 PolarHBondContact O-OG1 3.11Å
407Y93.6Very high92.1Very high79 Ų7971.6 Ų71.631%0.3139%0.391SS..Hα-helixtrans-64.2-45.5175.4-175.3-91.1000112.1W388 L392 D403 H405 T410 S411W388-Y407 HydrophobicContact CH2-CE2 4.07Å; W388-Y407 AromaticContact CH2-CZ 3.94Å; L392-Y407 HydrophobicContact CD2-CD2 4.36Å; L392-Y407 WeakPolarHBondContact O-CE2 3.27Å; D403-Y407 WeakPolarHBondContact O-CB 3.48Å; D403-Y407 PolarHBondContact O-N 2.95Å; D403-Y407 VanDerWaalsContact O-N 3.07Å; H405-Y407 VanDerWaalsContact C-N 3.31Å; H405-Y407 PolarHBondContact O-N 3.28Å; Y407-T410 PolarHBondContact O-N 2.95Å; Y407-S411 VanDerWaalsContact O-CB 3.24Å; Y407-S411 WeakPolarHBondContact O-CB 3.45Å; Y407-S411 PolarHBondContact O-N 3.38Å
408E92.9Very high92Very high121 Ų12167.6 Ų67.657%0.56537%0.37SS*.Hα-helixtrans-62-46.8178.4-78.1171.9-163.400112.5S404 H405 S411 Q412S404-E408 WeakPolarHBondContact O-CB 3.4Å; S404-E408 VanDerWaalsContact O-CG 3.27Å; S404-E408 WeakPolarHBondContact O-CG 3.34Å; S404-E408 PolarHBondContact O-N 3.17Å; H405-E408 PolarHBondContact O-N 2.95Å; E408-S411 PolarHBondContact O-N 2.96Å; E408-Q412 PolarHBondContact O-N 3.01Å; E408-Q412 VanDerWaalsContact O-N 3.1Å
409I92.3Very high92.1Very high43 Ų4370.3 Ų70.322%0.22138%0.376CS..Hα-helixtrans-60.6-49.6176.9-69.4170000110.2H405 S411 Q412 N413 D424H405-I409 WeakPolarHBondContact NE2-CD1 3.33Å; H405-I409 WeakPolarHBondContact O-CG1 3.42Å; H405-I409 PolarHBondContact O-N 3.35Å; H405-I409 VanDerWaalsContact O-N 3.07Å; I409-S411 VanDerWaalsContact C-N 3.31Å; I409-S411 PolarHBondContact O-N 3.07Å; I409-Q412 PolarHBondContact O-N 2.91Å; I409-Q412 VanDerWaalsContact O-N 3.15Å; I409-N413 WeakPolarHBondContact CG2-ND2 3.49Å; I409-N413 VanDerWaalsContact O-CG 3.23Å; I409-N413 PolarHBondContact O-N 2.95Å; I409-N413 PolarHBondContact O-OD1 3.39Å; I409-D424 HydrophobicContact CG2-CB 4.45Å; I409-D424 WeakPolarHBondContact CG2-OD2 3.28Å
410T93.3Very high92.2Very high0 Ų074.5 Ų74.50%038%0.38CS..Hα-helixtrans-61.1-42.3-179.3-56.70000111.1W388 L392 S406 Y407 Q412 N413 V414 F422W388-T410 HydrophobicContact CE3-CG2 4.47Å; W388-T410 HydrophobicContact CZ3-CG2 4.2Å; L392-T410 HydrophobicContact CD1-CG2 3.82Å; S406-T410 VanDerWaalsContact O-CB 3.27Å; S406-T410 WeakPolarHBondContact O-CB 3.34Å; S406-T410 PolarHBondContact O-N 3.39Å; S406-T410 PolarHBondContact O-OG1 3.11Å; Y407-T410 PolarHBondContact O-N 2.95Å; T410-Q412 VanDerWaalsContact C-N 3.3Å; T410-Q412 PolarHBondContact O-N 3.49Å; T410-N413 PolarHBondContact O-N 3.01Å; T410-N413 VanDerWaalsContact O-N 3.16Å; T410-V414 HydrophobicContact CG2-CG2 4.3Å; T410-V414 VanDerWaalsContact O-CG2 3.25Å; T410-V414 WeakPolarHBondContact O-CG2 3.46Å; T410-V414 PolarHBondContact O-N 3.39Å; T410-F422 HydrophobicContact CG2-CD1 3.45Å; T410-F422 VanDerWaalsContact CG2-CD1 3.45Å; T410-F422 HydrophobicContact CG2-CE1 3.8Å; T410-F422 HydrophobicContact CG2-CG 4.48Å
411S92.8Very high92.3Very high43 Ų4374 Ų7430%0.30138%0.377SS..Hα-helixtrans-61.2-35.6177.1-177.50000113Y407 E408 I409Y407-S411 VanDerWaalsContact O-CB 3.24Å; Y407-S411 WeakPolarHBondContact O-CB 3.45Å; Y407-S411 PolarHBondContact O-N 3.38Å; E408-S411 PolarHBondContact O-N 2.96Å; I409-S411 VanDerWaalsContact C-N 3.31Å; I409-S411 PolarHBondContact O-N 3.07Å
412Q93.1Very high92.7Very high136 Ų13668 Ų6864%0.63635%0.345SS*.Hα-helixtrans-71.2-45.3171.4-77.7-177.9-5.600112E408 I409 T410 V414 K415E408-Q412 PolarHBondContact O-N 3.01Å; E408-Q412 VanDerWaalsContact O-N 3.1Å; I409-Q412 PolarHBondContact O-N 2.91Å; I409-Q412 VanDerWaalsContact O-N 3.15Å; T410-Q412 VanDerWaalsContact C-N 3.3Å; T410-Q412 PolarHBondContact O-N 3.49Å; Q412-V414 VanDerWaalsContact C-N 3.28Å; Q412-V414 PolarHBondContact O-N 3.46Å; Q412-K415 WeakPolarHBondContact O-CB 3.42Å; Q412-K415 PolarHBondContact O-N 2.86Å; Q412-K415 VanDerWaalsContact O-N 3.17Å
413N92.4Very high92.9Very high58 Ų5871.5 Ų71.531%0.3136%0.361SS..Hα-helixtrans-63.9-30.3-177.9-68.7-12.7000113.2I409 T410 K415 D416 T421I409-N413 WeakPolarHBondContact CG2-ND2 3.49Å; I409-N413 VanDerWaalsContact O-CG 3.23Å; I409-N413 PolarHBondContact O-N 2.95Å; I409-N413 PolarHBondContact O-OD1 3.39Å; T410-N413 PolarHBondContact O-N 3.01Å; T410-N413 VanDerWaalsContact O-N 3.16Å; N413-K415 PolarHBondContact O-N 2.93Å; N413-D416 CarbonylContact O-C 3.27Å; N413-D416 VanDerWaalsContact O-C 3.29Å; N413-D416 PolarHBondContact O-N 2.69Å; N413-T421 HydrophobicContact CB-CG2 3.93Å; N413-T421 PolarHBondContact ND2-O 3.07Å
414V93Very high93Very high23 Ų2371.4 Ų71.414%0.13936%0.36CS..G310 helixtrans-65.8-25178.2168.50000112V384 W388 T410 Q412 D416 G417 T421 F422V384-V414 HydrophobicContact CG1-CB 4.49Å; V384-V414 HydrophobicContact CG1-CG1 4.16Å; V384-V414 HydrophobicContact CG1-CG2 4.15Å; W388-V414 HydrophobicContact CB-CG1 4.47Å; W388-V414 HydrophobicContact CD2-CG1 4.37Å; W388-V414 HydrophobicContact CD2-CG2 4.25Å; W388-V414 HydrophobicContact CE3-CG2 3.74Å; W388-V414 HydrophobicContact CG-CG1 4.28Å; W388-V414 HydrophobicContact CZ3-CG2 4.31Å; T410-V414 HydrophobicContact CG2-CG2 4.3Å; T410-V414 VanDerWaalsContact O-CG2 3.25Å; T410-V414 WeakPolarHBondContact O-CG2 3.46Å; T410-V414 PolarHBondContact O-N 3.39Å; Q412-V414 VanDerWaalsContact C-N 3.28Å; Q412-V414 PolarHBondContact O-N 3.46Å; V414-D416 PolarHBondContact O-N 2.86Å; V414-G417 PolarHBondContact O-N 2.89Å; V414-T421 HydrophobicContact CB-CG2 4.22Å; V414-T421 HydrophobicContact CG2-CG2 3.43Å; V414-T421 VanDerWaalsContact CG2-CG2 3.43Å; V414-F422 HydrophobicContact CG2-CE1 4.01Å; V414-F422 HydrophobicContact CG2-CZ 4.14Å
415K90.6Very high93.2Very high176 Ų17667.1 Ų67.177%0.76533%0.331SS*.G310 helixtrans-64.2-29.5178.4-60.8-179.5-177.8176.90113.1Q412 N413Q412-K415 WeakPolarHBondContact O-CB 3.42Å; Q412-K415 PolarHBondContact O-N 2.86Å; Q412-K415 VanDerWaalsContact O-N 3.17Å; N413-K415 PolarHBondContact O-N 2.93Å
416D89.3Confident93.5Very high147 Ų14761.8 Ų61.879%0.78631%0.306SS*.G310 helixtrans-127.669.8172.6-170.920.4000108.6N413 V414 G418N413-D416 CarbonylContact O-C 3.27Å; N413-D416 VanDerWaalsContact O-C 3.29Å; N413-D416 PolarHBondContact O-N 2.69Å; V414-D416 PolarHBondContact O-N 2.86Å; D416-G418 PolarHBondContact O-N 3.44Å
417G88.4Confident93.7Very high27 Ų2766 Ų6628%0.27833%0.325SS..  trans-62.4127-169.600000113.9V414 T421V414-G417 PolarHBondContact O-N 2.89Å; G417-T421 WeakPolarHBondContact CA-OG1 3.4Å
418G93.1Very high93.8Very high27 Ų2764.8 Ų64.828%0.27832%0.321SS..  trans-137.6-177175.100000112.4D416 Y420 T421D416-G418 PolarHBondContact O-N 3.44Å; G418-Y420 PolarHBondContact O-N 2.92Å; G418-Y420 VanDerWaalsContact O-N 3.09Å; G418-T421 PolarHBondContact N-OG1 3.46Å; G418-T421 WeakPolarHBondContact O-CB 3.38Å; G418-T421 PolarHBondContact O-N 3.2Å; G418-T421 PolarHBondContact O-OG1 3.27Å; G418-T421 VanDerWaalsContact O-OG1 3.09Å
419R96.3Very high94Very high84 Ų8459 Ų5932%0.31729%0.294SS..THydrogen-bonded Turntrans-62.5-19.9-178-70-176.7175.9-175.3-1.9114.3K373 Q375 V380K373-R419 VanDerWaalsContact CG-O 3.29Å; K373-R419 WeakPolarHBondContact CG-O 3.46Å; Q375-R419 PolarHBondContact O-NH2 2.7Å; V380-R419 HydrophobicContact CG1-CG 4.27Å; V380-R419 HydrophobicContact CG2-CG 3.84Å
420Y96.1Very high94.2Very high152 Ų15258.7 Ų58.760%0.59629%0.291SS*.THydrogen-bonded Turntrans-110.610.7-175.7-54.7-76.2000112.8G418 F422 E423G418-Y420 PolarHBondContact O-N 2.92Å; G418-Y420 VanDerWaalsContact O-N 3.09Å; Y420-F422 PolarHBondContact O-N 3.38Å; Y420-F422 VanDerWaalsContact O-N 3.15Å; Y420-E423 WeakPolarHBondContact O-CB 3.26Å; Y420-E423 PolarHBondContact O-N 3.46Å; Y420-E423 VanDerWaalsContact O-N 3.11Å
421T96.2Very high94.3Very high6 Ų664.1 Ų64.14%0.03731%0.314CS..THydrogen-bonded Turntrans-54.5-37.1-177.2-72.70000113.9V384 N413 V414 G417 G418V384-T421 HydrophobicContact CG1-CG2 3.98Å; N413-T421 HydrophobicContact CB-CG2 3.93Å; N413-T421 PolarHBondContact ND2-O 3.07Å; V414-T421 HydrophobicContact CB-CG2 4.22Å; V414-T421 HydrophobicContact CG2-CG2 3.43Å; V414-T421 VanDerWaalsContact CG2-CG2 3.43Å; G417-T421 WeakPolarHBondContact CA-OG1 3.4Å; G418-T421 PolarHBondContact N-OG1 3.46Å; G418-T421 WeakPolarHBondContact O-CB 3.38Å; G418-T421 PolarHBondContact O-N 3.2Å; G418-T421 PolarHBondContact O-OG1 3.27Å; G418-T421 VanDerWaalsContact O-OG1 3.09Å
422F97.2Very high94.4Very high1 Ų165 Ų650%0.00432%0.315CS..THydrogen-bonded Turntrans-101.619.6-177.3-56.6-77.5000113.4F365 V369 L372 V384 I387 W388 L392 T410 V414 Y420 A425 Q426F365-F422 HydrophobicContact CE2-CD1 4.17Å; F365-F422 HydrophobicContact CZ-CB 4.19Å; F365-F422 HydrophobicContact CZ-CD1 4.27Å; F365-F422 HydrophobicContact CZ-CG 4.48Å; V369-F422 HydrophobicContact CB-CB 4.44Å; V369-F422 HydrophobicContact CG1-CB 3.85Å; V369-F422 HydrophobicContact CG2-CB 3.63Å; V369-F422 HydrophobicContact CG2-CD2 4.12Å; V369-F422 HydrophobicContact CG2-CG 3.98Å; L372-F422 HydrophobicContact CD2-CD2 3.59Å; L372-F422 HydrophobicContact CD2-CE2 3.82Å; V384-F422 HydrophobicContact CB-CE2 4.23Å; V384-F422 HydrophobicContact CG1-CE2 3.99Å; V384-F422 HydrophobicContact CG1-CZ 3.97Å; V384-F422 HydrophobicContact CG2-CE2 4.13Å; V384-F422 WeakPolarHBondContact O-CZ 3.23Å; I387-F422 HydrophobicContact CB-CE2 3.91Å; I387-F422 HydrophobicContact CB-CZ 3.9Å; I387-F422 HydrophobicContact CD1-CE2 4.31Å; I387-F422 HydrophobicContact CG2-CD1 4.4Å; I387-F422 HydrophobicContact CG2-CD2 4.18Å; I387-F422 HydrophobicContact CG2-CE1 4.02Å; I387-F422 HydrophobicContact CG2-CE2 3.76Å; I387-F422 HydrophobicContact CG2-CG 4.49Å; I387-F422 HydrophobicContact CG2-CZ 3.69Å; W388-F422 HydrophobicContact CB-CZ 4.38Å; W388-F422 HydrophobicContact CE3-CE1 4.42Å; L392-F422 HydrophobicContact CD1-CD1 3.99Å; L392-F422 HydrophobicContact CD1-CE1 3.94Å; T410-F422 HydrophobicContact CG2-CD1 3.45Å; T410-F422 VanDerWaalsContact CG2-CD1 3.45Å; T410-F422 HydrophobicContact CG2-CE1 3.8Å; T410-F422 HydrophobicContact CG2-CG 4.48Å; V414-F422 HydrophobicContact CG2-CE1 4.01Å; V414-F422 HydrophobicContact CG2-CZ 4.14Å; Y420-F422 PolarHBondContact O-N 3.38Å; Y420-F422 VanDerWaalsContact O-N 3.15Å; F422-A425 PolarHBondContact O-N 3.27Å; F422-Q426 WeakPolarHBondContact O-CB 3.33Å; F422-Q426 PolarHBondContact O-N 2.87Å
423E95.3Very high94.6Very high96 Ų9658.5 Ų58.545%0.44929%0.285SS..Hα-helixtrans-60.8-48.9-173.7-172.8161.5-15900112.7Y420 Q426 E427Y420-E423 WeakPolarHBondContact O-CB 3.26Å; Y420-E423 PolarHBondContact O-N 3.46Å; Y420-E423 VanDerWaalsContact O-N 3.11Å; E423-Q426 PolarHBondContact O-N 3.17Å; E423-E427 PolarHBondContact O-N 3.2Å
424D93.7Very high94.8Very high61 Ų6160.1 Ų60.133%0.32629%0.289SS..Hα-helixtrans-61.4-48.2177.5-57.2-90.7000112I409 Q426 E427 H428I409-D424 HydrophobicContact CG2-CB 4.45Å; I409-D424 WeakPolarHBondContact CG2-OD2 3.28Å; D424-Q426 PolarHBondContact O-N 3.35Å; D424-E427 PolarHBondContact O-N 2.77Å; D424-H428 PolarHBondContact O-N 2.83Å
425A96.1Very high94.9Very high0 Ų063.4 Ų63.40%031%0.313CS..Hα-helixtrans-61.6-42176.900000112.1F365 L402 F422 H428 I429F365-A425 HydrophobicContact CE1-CB 4.11Å; F365-A425 HydrophobicContact CZ-CB 3.78Å; L402-A425 HydrophobicContact CD1-CB 3.64Å; L402-A425 HydrophobicContact CD2-CB 4.2Å; F422-A425 PolarHBondContact O-N 3.27Å; A425-H428 PolarHBondContact O-N 2.88Å; A425-I429 VanDerWaalsContact O-CG1 3.3Å; A425-I429 WeakPolarHBondContact O-CG1 3.35Å; A425-I429 PolarHBondContact O-N 2.93Å
426Q96.7Very high95.1Very high9 Ų958.1 Ų58.14%0.04229%0.293CS..Hα-helixtrans-65-40.8178-174.6-179.244.800111.5W366 V369 F422 E423 D424 Y430W366-Q426 HydrophobicContact CG-CG 4.22Å; W366-Q426 PolarHBondContact O-NE2 2.97Å; V369-Q426 HydrophobicContact CB-CB 4.46Å; V369-Q426 HydrophobicContact CB-CG 4.31Å; V369-Q426 HydrophobicContact CG1-CB 4.03Å; V369-Q426 VanDerWaalsContact CG1-CD 3.42Å; V369-Q426 HydrophobicContact CG1-CG 4.11Å; F422-Q426 WeakPolarHBondContact O-CB 3.33Å; F422-Q426 PolarHBondContact O-N 2.87Å; E423-Q426 PolarHBondContact O-N 3.17Å; D424-Q426 PolarHBondContact O-N 3.35Å; Q426-Y430 VanDerWaalsContact O-CB 3.25Å; Q426-Y430 WeakPolarHBondContact O-CB 3.48Å; Q426-Y430 PolarHBondContact O-N 3.3Å
427E95.4Very high95.5Very high98 Ų9851.2 Ų51.246%0.45826%0.257SS..Hα-helixtrans-65.1-43.3176.9-171.5-179.7-178.100111.4E423 D424 Y430 K431E423-E427 PolarHBondContact O-N 3.2Å; D424-E427 PolarHBondContact O-N 2.77Å; E427-Y430 PolarHBondContact O-N 3.37Å; E427-K431 VanDerWaalsContact CD-NZ 3.31Å; E427-K431 HydrophobicContact CG-CD 4.28Å; E427-K431 WeakPolarHBondContact O-CG 3.48Å; E427-K431 PolarHBondContact O-N 3.03Å; E427-K431 WeakPolarHBondContact OE1-CE 3.48Å; E427-K431 IonicContact OE1-NZ 3.35Å; E427-K431 PolarHBondContact OE1-NZ 2.67Å
428H95.4Very high95.9Very high52 Ų5250.8 Ų50.824%0.24125%0.247CC..Hα-helixtrans-57.2-53.6175.2-176.795.5000111.1L402 D403 D424 A425 Y430 K431 L432L402-H428 HydrophobicContact CD2-CB 4.2Å; D403-H428 IonicContact OD2-CE1 2.75Å; D403-H428 PolarHBondContact OD2-CE1 3.18Å; D403-H428 IonicContact OD2-ND1 2.71Å; D403-H428 PolarHBondContact OD2-ND1 3.48Å; D424-H428 PolarHBondContact O-N 2.83Å; A425-H428 PolarHBondContact O-N 2.88Å; H428-Y430 VanDerWaalsContact C-N 3.33Å; H428-Y430 PolarHBondContact O-N 3.47Å; H428-K431 PolarHBondContact O-N 3.06Å; H428-L432 WeakPolarHBondContact O-CB 3.46Å; H428-L432 PolarHBondContact O-N 3.31Å
429I96.6Very high96.1Very high0 Ų051.1 Ų51.10%025%0.247CC..Hα-helixtrans-63.5-37.9-179.5-66.3-63.1000111.9N362 F365 I400 L402 A425 L432 M433N362-I429 HydrophobicContact CB-CG2 3.88Å; N362-I429 WeakPolarHBondContact O-CG2 3.46Å; F365-I429 HydrophobicContact CD1-CB 4.24Å; F365-I429 HydrophobicContact CD1-CG1 3.9Å; F365-I429 HydrophobicContact CD1-CG2 4.26Å; F365-I429 HydrophobicContact CE1-CB 4.45Å; F365-I429 HydrophobicContact CE1-CG1 4Å; I400-I429 HydrophobicContact CB-CD1 4.29Å; I400-I429 HydrophobicContact CD1-CD1 3.92Å; I400-I429 HydrophobicContact CD1-CG1 3.82Å; L402-I429 HydrophobicContact CD2-CD1 3.74Å; L402-I429 HydrophobicContact CD2-CG1 3.69Å; A425-I429 VanDerWaalsContact O-CG1 3.3Å; A425-I429 WeakPolarHBondContact O-CG1 3.35Å; A425-I429 PolarHBondContact O-N 2.93Å; I429-L432 HydrophobicContact CD1-CD2 4.42Å; I429-L432 PolarHBondContact O-N 3.28Å; I429-M433 HydrophobicContact CG2-CE 3.88Å; I429-M433 WeakPolarHBondContact O-CG 3.48Å; I429-M433 PolarHBondContact O-N 3.23Å
430Y96.9Very high96.2Very high37 Ų3750.9 Ų50.915%0.14525%0.246CC..Hα-helixtrans-61.2-47.6174.4175.7-85.8000111.7F337 D338 L341 W366 Q426 E427 H428 L432 M433 K434F337-Y430 AromaticContact CD1-CD2 3.85Å; F337-Y430 HydrophobicContact CD1-CD2 3.85Å; F337-Y430 HydrophobicContact CD1-CE1 4.31Å; F337-Y430 AromaticContact CD1-CE2 3.48Å; F337-Y430 HydrophobicContact CD1-CE2 3.48Å; F337-Y430 VanDerWaalsContact CD1-CE2 3.48Å; F337-Y430 HydrophobicContact CD1-CG 4.44Å; F337-Y430 AromaticContact CD1-CZ 3.72Å; F337-Y430 AromaticContact CE1-CD2 3.71Å; F337-Y430 HydrophobicContact CE1-CD2 3.71Å; F337-Y430 AromaticContact CE1-CE2 3.82Å; F337-Y430 HydrophobicContact CE1-CE2 3.82Å; F337-Y430 HydrophobicContact CE1-CG 4.27Å; D338-Y430 PolarHBondContact OD1-OH 3.04Å; D338-Y430 PolarHBondContact OD2-OH 3.14Å; L341-Y430 HydrophobicContact CD1-CD2 4.02Å; L341-Y430 HydrophobicContact CD1-CE2 3.78Å; W366-Y430 HydrophobicContact CZ2-CD2 4.23Å; W366-Y430 AromaticContact NE1-CD2 3.62Å; Q426-Y430 VanDerWaalsContact O-CB 3.25Å; Q426-Y430 WeakPolarHBondContact O-CB 3.48Å; Q426-Y430 PolarHBondContact O-N 3.3Å; E427-Y430 PolarHBondContact O-N 3.37Å; H428-Y430 VanDerWaalsContact C-N 3.33Å; H428-Y430 PolarHBondContact O-N 3.47Å; Y430-L432 VanDerWaalsContact C-N 3.33Å; Y430-L432 PolarHBondContact O-N 2.86Å; Y430-M433 PolarHBondContact O-N 2.78Å; Y430-K434 HydrophobicContact CD1-CD 4.48Å; Y430-K434 HydrophobicContact CE1-CB 4.48Å; Y430-K434 HydrophobicContact CE1-CD 3.62Å; Y430-K434 WeakPolarHBondContact O-CB 3.3Å; Y430-K434 PolarHBondContact O-N 2.91Å; Y430-K434 PolarHBondContact OH-NZ 3Å
431K95.6Very high96.3Very high114 Ų11443.7 Ų43.750%0.49622%0.218SC..Hα-helixtrans-64.3-38.2178.5-73.6174.1-176.7164.90111.8E427 H428 K434 S435E427-K431 VanDerWaalsContact CD-NZ 3.31Å; E427-K431 HydrophobicContact CG-CD 4.28Å; E427-K431 WeakPolarHBondContact O-CG 3.48Å; E427-K431 PolarHBondContact O-N 3.03Å; E427-K431 WeakPolarHBondContact OE1-CE 3.48Å; E427-K431 IonicContact OE1-NZ 3.35Å; E427-K431 PolarHBondContact OE1-NZ 2.67Å; H428-K431 PolarHBondContact O-N 3.06Å; K431-K434 PolarHBondContact O-N 3.27Å; K431-S435 WeakPolarHBondContact O-CB 3.28Å; K431-S435 PolarHBondContact O-N 2.83Å; K431-S435 PolarHBondContact O-OG 2.84Å
432L94.9Very high96.3Very high60 Ų6045.1 Ų45.131%0.31423%0.225SC..Hα-helixtrans-60.5-55.7175.2179.864.2000110.7H428 I429 Y430 K434 S435 D436H428-L432 WeakPolarHBondContact O-CB 3.46Å; H428-L432 PolarHBondContact O-N 3.31Å; I429-L432 HydrophobicContact CD1-CD2 4.42Å; I429-L432 PolarHBondContact O-N 3.28Å; Y430-L432 VanDerWaalsContact C-N 3.33Å; Y430-L432 PolarHBondContact O-N 2.86Å; L432-K434 VanDerWaalsContact C-N 3.32Å; L432-K434 PolarHBondContact O-N 2.75Å; L432-S435 PolarHBondContact O-N 3.09Å; L432-S435 PolarHBondContact O-OG 3.07Å; L432-D436 PolarHBondContact O-N 3.16Å
433M96.5Very high96.3Very high0 Ų053.7 Ų53.70%026%0.257CS..Hα-helixtrans-61.4-40178.6-69.9-166.4-74.300112.3F337 F350 L354 N362 L363 W366 I429 Y430 S435 S437 Y438F337-M433 HydrophobicContact CE1-CB 3.85Å; F337-M433 HydrophobicContact CE1-CE 4.41Å; F337-M433 HydrophobicContact CE2-CB 4.42Å; F337-M433 HydrophobicContact CZ-CB 3.52Å; F337-M433 HydrophobicContact CZ-CE 4.05Å; F337-M433 HydrophobicContact CZ-CG 4.49Å; F337-M433 HydrophobicContact CZ-SD 4.23Å; F350-M433 HydrophobicContact CE1-SD 4.2Å; L354-M433 HydrophobicContact CD1-SD 4.45Å; N362-M433 HydrophobicContact CB-CG 3.97Å; N362-M433 HydrophobicContact CB-SD 3.88Å; L363-M433 HydrophobicContact CB-SD 3.88Å; L363-M433 HydrophobicContact CD1-CE 4.28Å; L363-M433 HydrophobicContact CD1-SD 4.35Å; W366-M433 HydrophobicContact CB-CE 3.79Å; W366-M433 HydrophobicContact CG-CE 4.07Å; I429-M433 HydrophobicContact CG2-CE 3.88Å; I429-M433 WeakPolarHBondContact O-CG 3.48Å; I429-M433 PolarHBondContact O-N 3.23Å; Y430-M433 PolarHBondContact O-N 2.78Å; M433-S435 PolarHBondContact O-N 3.44Å; M433-S437 PolarHBondContact O-N 3.25Å; M433-Y438 VanDerWaalsContact O-CB 3.28Å; M433-Y438 WeakPolarHBondContact O-CB 3.45Å; M433-Y438 PolarHBondContact O-N 3.35Å
434K97.1Very high96.4Very high93 Ų9350.1 Ų50.140%0.40424%0.243SC..Hα-helixtrans-62.2-41.8-179.9-177.3167.3-176.8164.70112.7F337 Y430 K431 L432F337-K434 HydrophobicContact CB-CB 4.32Å; F337-K434 HydrophobicContact CB-CD 4.24Å; F337-K434 HydrophobicContact CB-CG 3.93Å; F337-K434 HydrophobicContact CD1-CB 3.61Å; F337-K434 HydrophobicContact CD1-CD 4.4Å; F337-K434 HydrophobicContact CD1-CG 4.12Å; F337-K434 HydrophobicContact CE1-CB 4.18Å; F337-K434 HydrophobicContact CG-CB 4.15Å; F337-K434 HydrophobicContact CG-CG 4.31Å; Y430-K434 HydrophobicContact CD1-CD 4.48Å; Y430-K434 HydrophobicContact CE1-CB 4.48Å; Y430-K434 HydrophobicContact CE1-CD 3.62Å; Y430-K434 WeakPolarHBondContact O-CB 3.3Å; Y430-K434 PolarHBondContact O-N 2.91Å; Y430-K434 PolarHBondContact OH-NZ 3Å; K431-K434 PolarHBondContact O-N 3.27Å; L432-K434 VanDerWaalsContact C-N 3.32Å; L432-K434 PolarHBondContact O-N 2.75Å
435S95.5Very high96.4Very high91 Ų9153.2 Ų53.264%0.63626%0.259SS*.Hα-helixtrans-84.9-28.2-174.858.30000113.5K431 L432 M433K431-S435 WeakPolarHBondContact O-CB 3.28Å; K431-S435 PolarHBondContact O-N 2.83Å; K431-S435 PolarHBondContact O-OG 2.84Å; L432-S435 PolarHBondContact O-N 3.09Å; L432-S435 PolarHBondContact O-OG 3.07Å; M433-S435 PolarHBondContact O-N 3.44Å
436D95.5Very high96.2Very high65 Ų6555.6 Ų55.635%0.34828%0.279SS..THydrogen-bonded Turntrans-113.7-74.6-178.6179.246000113.1L432 Y438 A439 R440L432-D436 PolarHBondContact O-N 3.16Å; D436-Y438 PolarHBondContact O-N 3.27Å; D436-A439 PolarHBondContact O-N 3.07Å; D436-A439 VanDerWaalsContact O-N 3.11Å; D436-R440 PolarHBondContact O-N 3.41Å; D436-R440 IonicContact OD1-CZ 3.74Å; D436-R440 IonicContact OD1-NE 3.26Å; D436-R440 PolarHBondContact OD1-NE 3.26Å; D436-R440 IonicContact OD1-NH2 3.45Å; D436-R440 IonicContact OD2-CZ 3.9Å; D436-R440 IonicContact OD2-NE 3.6Å; D436-R440 PolarHBondContact OD2-NE 3.3Å; D436-R440 IonicContact OD2-NH2 3.02Å; D436-R440 PolarHBondContact OD2-NH2 3.23Å
437S96.8Very high96.2Very high3 Ų355.8 Ų55.82%0.02128%0.279CS..Hα-helixtrans-60.5-41.1-168.7-41.70000113.5M433 R440 F441M433-S437 PolarHBondContact O-N 3.25Å; S437-R440 PolarHBondContact O-N 2.78Å; S437-F441 WeakPolarHBondContact O-CB 3.42Å; S437-F441 PolarHBondContact O-N 3.24Å
438Y98.1Very high96.2Very high18 Ų1854.4 Ų54.47%0.07127%0.273CS..Hα-helixtrans-65.8-42.6176.5172.9-113.2000112W333 G334 S336 F337 I340 M433 D436 R440 F441 L442W333-Y438 PolarHBondContact O-OH 3.12Å; G334-Y438 VanDerWaalsContact C-OH 3.28Å; G334-Y438 WeakPolarHBondContact CA-OH 3.29Å; G334-Y438 PolarHBondContact O-OH 3.35Å; S336-Y438 PolarHBondContact N-OH 3.24Å; S336-Y438 PolarHBondContact O-OH 3.2Å; F337-Y438 HydrophobicContact CB-CD1 3.94Å; F337-Y438 HydrophobicContact CB-CD2 4.49Å; F337-Y438 HydrophobicContact CB-CE1 4.11Å; F337-Y438 HydrophobicContact CB-CG 4.13Å; F337-Y438 HydrophobicContact CD2-CD1 4.22Å; F337-Y438 AromaticContact CD2-CD2 3.59Å; F337-Y438 HydrophobicContact CD2-CD2 3.59Å; F337-Y438 HydrophobicContact CD2-CE2 4.28Å; F337-Y438 AromaticContact CD2-CG 3.54Å; F337-Y438 HydrophobicContact CD2-CG 3.54Å; F337-Y438 HydrophobicContact CE2-CD2 4.32Å; F337-Y438 HydrophobicContact CE2-CG 4.3Å; F337-Y438 HydrophobicContact CG-CD1 4.39Å; F337-Y438 HydrophobicContact CG-CD2 4.47Å; F337-Y438 HydrophobicContact CG-CG 4.14Å; I340-Y438 HydrophobicContact CB-CE2 4.4Å; I340-Y438 HydrophobicContact CG2-CD2 3.88Å; I340-Y438 HydrophobicContact CG2-CE2 3.65Å; M433-Y438 VanDerWaalsContact O-CB 3.28Å; M433-Y438 WeakPolarHBondContact O-CB 3.45Å; M433-Y438 PolarHBondContact O-N 3.35Å; D436-Y438 PolarHBondContact O-N 3.27Å; Y438-R440 VanDerWaalsContact C-N 3.27Å; Y438-R440 PolarHBondContact O-N 3.13Å; Y438-F441 WeakPolarHBondContact O-CB 3.29Å; Y438-F441 PolarHBondContact O-N 2.95Å; Y438-L442 HydrophobicContact CD2-CG 4.37Å; Y438-L442 HydrophobicContact CE1-CD1 3.81Å; Y438-L442 HydrophobicContact CE1-CG 4.43Å; Y438-L442 HydrophobicContact CE2-CD1 4.09Å; Y438-L442 HydrophobicContact CE2-CD2 3.91Å; Y438-L442 HydrophobicContact CE2-CG 3.94Å; Y438-L442 WeakPolarHBondContact O-CG 3.36Å; Y438-L442 PolarHBondContact O-N 3.33Å
439A97.1Very high96.1Very high34 Ų3456.9 Ų56.928%0.28129%0.288SS..Hα-helixtrans-65.5-31.3176.600000112.3D436 R443D436-A439 PolarHBondContact O-N 3.07Å; D436-A439 VanDerWaalsContact O-N 3.11Å; A439-R443 PolarHBondContact O-NE 3.18Å
440R97.6Very high95.9Very high79 Ų7959 Ų5930%0.29830%0.299SS..Hα-helixtrans-73.3-42.6171.1-69.6-167.9-77.7127.40.1111.8F353 E357 D436 S437 Y438 L442 R443 S444F353-R440 HydrophobicContact CE1-CB 4.44Å; F353-R440 HydrophobicContact CZ-CB 4.05Å; E357-R440 IonicContact OE1-NH1 2.97Å; E357-R440 PolarHBondContact OE1-NH1 3.15Å; E357-R440 IonicContact OE2-CZ 2.74Å; E357-R440 IonicContact OE2-NH1 3.43Å; E357-R440 PolarHBondContact OE2-NH1 3.47Å; E357-R440 IonicContact OE2-NH2 3.27Å; D436-R440 PolarHBondContact O-N 3.41Å; D436-R440 IonicContact OD1-CZ 3.74Å; D436-R440 IonicContact OD1-NE 3.26Å; D436-R440 PolarHBondContact OD1-NE 3.26Å; D436-R440 IonicContact OD1-NH2 3.45Å; D436-R440 IonicContact OD2-CZ 3.9Å; D436-R440 IonicContact OD2-NE 3.6Å; D436-R440 PolarHBondContact OD2-NE 3.3Å; D436-R440 IonicContact OD2-NH2 3.02Å; D436-R440 PolarHBondContact OD2-NH2 3.23Å; S437-R440 PolarHBondContact O-N 2.78Å; Y438-R440 VanDerWaalsContact C-N 3.27Å; Y438-R440 PolarHBondContact O-N 3.13Å; R440-L442 PolarHBondContact O-N 2.97Å; R440-R443 CarbonylContact O-C 3.45Å; R440-R443 PolarHBondContact O-N 3.22Å; R440-S444 PolarHBondContact O-N 2.99Å
441F97.9Very high95.7Very high0 Ų059 Ų590%030%0.302CS..Hα-helixtrans-55.3-48.4175.5172.2-102.4000112.3I340 Q349 F350 F353 S437 Y438 R443 S444 Y447I340-F441 HydrophobicContact CD1-CD1 3.72Å; I340-F441 HydrophobicContact CD1-CE1 3.22Å; I340-F441 HydrophobicContact CD1-CZ 3.84Å; Q349-F441 HydrophobicContact CB-CZ 4.39Å; F350-F441 HydrophobicContact CD2-CB 3.74Å; F350-F441 HydrophobicContact CD2-CD1 4.13Å; F350-F441 AromaticContact CD2-CD2 3.92Å; F350-F441 HydrophobicContact CD2-CD2 3.92Å; F350-F441 AromaticContact CD2-CG 3.65Å; F350-F441 HydrophobicContact CD2-CG 3.65Å; F350-F441 HydrophobicContact CE2-CB 3.74Å; F350-F441 HydrophobicContact CE2-CG 4.17Å; F353-F441 HydrophobicContact CB-CD2 3.69Å; F353-F441 HydrophobicContact CB-CE2 4.17Å; F353-F441 HydrophobicContact CD1-CB 3.78Å; F353-F441 AromaticContact CD1-CD2 3.9Å; F353-F441 HydrophobicContact CD1-CD2 3.9Å; F353-F441 HydrophobicContact CD1-CG 4.32Å; F353-F441 HydrophobicContact CD2-CD2 4.29Å; F353-F441 HydrophobicContact CE1-CB 3.82Å; F353-F441 HydrophobicContact CG-CB 4.34Å; F353-F441 AromaticContact CG-CD2 3.69Å; F353-F441 HydrophobicContact CG-CD2 3.69Å; F353-F441 HydrophobicContact CZ-CB 4.41Å; S437-F441 WeakPolarHBondContact O-CB 3.42Å; S437-F441 PolarHBondContact O-N 3.24Å; Y438-F441 WeakPolarHBondContact O-CB 3.29Å; Y438-F441 PolarHBondContact O-N 2.95Å; F441-R443 PolarHBondContact O-N 3.26Å; F441-R443 VanDerWaalsContact O-N 3.17Å; F441-S444 VanDerWaalsContact O-CB 3.29Å; F441-S444 WeakPolarHBondContact O-CB 3.46Å; F441-S444 PolarHBondContact O-N 3.37Å; F441-S444 PolarHBondContact O-OG 2.91Å; F441-Y447 HydrophobicContact CD1-CD2 4.44Å; F441-Y447 AromaticContact CE1-CD2 3.6Å; F441-Y447 HydrophobicContact CE1-CD2 3.6Å; F441-Y447 HydrophobicContact CE1-CE2 4.44Å; F441-Y447 HydrophobicContact CE1-CG 4.08Å; F441-Y447 AromaticContact CZ-CD2 3.96Å; F441-Y447 HydrophobicContact CZ-CD2 3.96Å; F441-Y447 HydrophobicContact CZ-CG 4.4Å; F441-Y447 VanDerWaalsContact O-CB 3.27Å; F441-Y447 WeakPolarHBondContact O-CB 3.39Å
442L97.1Very high95.4Very high36 Ų3659.3 Ų59.319%0.18831%0.308CS..Hα-helixtrans-62.8-24179.1-65.9-175.1000113.8Y438 R440 Y447 Q448Y438-L442 HydrophobicContact CD2-CG 4.37Å; Y438-L442 HydrophobicContact CE1-CD1 3.81Å; Y438-L442 HydrophobicContact CE1-CG 4.43Å; Y438-L442 HydrophobicContact CE2-CD1 4.09Å; Y438-L442 HydrophobicContact CE2-CD2 3.91Å; Y438-L442 HydrophobicContact CE2-CG 3.94Å; Y438-L442 WeakPolarHBondContact O-CG 3.36Å; Y438-L442 PolarHBondContact O-N 3.33Å; R440-L442 PolarHBondContact O-N 2.97Å; L442-Y447 HydrophobicContact CB-CD1 4.47Å; L442-Y447 HydrophobicContact CD2-CD1 4.15Å; L442-Y447 HydrophobicContact CD2-CD2 4.18Å; L442-Y447 HydrophobicContact CD2-CE1 3.9Å; L442-Y447 HydrophobicContact CD2-CE2 3.95Å; L442-Y447 HydrophobicContact CD2-CG 4.27Å; L442-Y447 VanDerWaalsContact O-CD1 3.26Å; L442-Y447 WeakPolarHBondContact O-CD1 3.16Å; L442-Q448 PolarHBondContact O-NE2 2.82Å
443R96.5Very high94.6Very high182 Ų18259.4 Ų59.469%0.68732%0.317SS*.Hα-helixtrans-92.5-9176.1-69.2-178.5-71.5175.70.5113.1A439 R440 F441A439-R443 PolarHBondContact O-NE 3.18Å; R440-R443 CarbonylContact O-C 3.45Å; R440-R443 PolarHBondContact O-N 3.22Å; F441-R443 PolarHBondContact O-N 3.26Å; F441-R443 VanDerWaalsContact O-N 3.17Å
444S96.4Very high92.8Very high20 Ų2067.9 Ų67.914%0.1435%0.354CS..SBendtrans-73.2151.4-177.876.10000111.8R440 F441 A446 Y447 Q448R440-S444 PolarHBondContact O-N 2.99Å; F441-S444 VanDerWaalsContact O-CB 3.29Å; F441-S444 WeakPolarHBondContact O-CB 3.46Å; F441-S444 PolarHBondContact O-N 3.37Å; F441-S444 PolarHBondContact O-OG 2.91Å; S444-A446 PolarHBondContact O-N 3.45Å; S444-Y447 PolarHBondContact O-N 3.2Å; S444-Y447 PolarHBondContact OG-N 3.04Å; S444-Q448 WeakPolarHBondContact O-CG 3.47Å; S444-Q448 PolarHBondContact O-N 2.85Å; S444-Q448 VanDerWaalsContact O-N 3.1Å
445N94.4Very high90.8Very high126 Ų12671.6 Ų71.667%0.67437%0.37SS*.Hα-helixtrans-58.7-33.3172.9-66.4-19.9000111.4Y447 Q448 D449N445-Y447 VanDerWaalsContact C-N 3.33Å; N445-Y447 PolarHBondContact O-N 3.09Å; N445-Q448 PolarHBondContact O-N 3.28Å; N445-D449 VanDerWaalsContact O-CB 3.26Å; N445-D449 WeakPolarHBondContact O-CB 3.42Å; N445-D449 PolarHBondContact O-N 2.87Å
446A92.3Very high88.2Confident50 Ų5076.7 Ų76.741%0.41338%0.381SS..Hα-helixtrans-57.2-43178.300000112.8S444 L450S444-A446 PolarHBondContact O-N 3.45Å; A446-L450 WeakPolarHBondContact O-CD1 3.42Å; A446-L450 WeakPolarHBondContact O-CG 3.34Å
447Y96Very high85.4Confident13 Ų1383 Ų835%0.05141%0.405CS..Hα-helixtrans-76.8-43175.8175.9-102000112.2V330 W333 F441 L442 S444 N445 D449 L450 L451V330-Y447 HydrophobicContact CG1-CD2 4.19Å; V330-Y447 HydrophobicContact CG1-CE2 3.72Å; V330-Y447 PolarHBondContact O-OH 2.92Å; W333-Y447 HydrophobicContact CB-CE2 4.4Å; W333-Y447 HydrophobicContact CE3-CE2 4.39Å; F441-Y447 HydrophobicContact CD1-CD2 4.44Å; F441-Y447 AromaticContact CE1-CD2 3.6Å; F441-Y447 HydrophobicContact CE1-CD2 3.6Å; F441-Y447 HydrophobicContact CE1-CE2 4.44Å; F441-Y447 HydrophobicContact CE1-CG 4.08Å; F441-Y447 AromaticContact CZ-CD2 3.96Å; F441-Y447 HydrophobicContact CZ-CD2 3.96Å; F441-Y447 HydrophobicContact CZ-CG 4.4Å; F441-Y447 VanDerWaalsContact O-CB 3.27Å; F441-Y447 WeakPolarHBondContact O-CB 3.39Å; L442-Y447 HydrophobicContact CB-CD1 4.47Å; L442-Y447 HydrophobicContact CD2-CD1 4.15Å; L442-Y447 HydrophobicContact CD2-CD2 4.18Å; L442-Y447 HydrophobicContact CD2-CE1 3.9Å; L442-Y447 HydrophobicContact CD2-CE2 3.95Å; L442-Y447 HydrophobicContact CD2-CG 4.27Å; L442-Y447 VanDerWaalsContact O-CD1 3.26Å; L442-Y447 WeakPolarHBondContact O-CD1 3.16Å; S444-Y447 PolarHBondContact O-N 3.2Å; S444-Y447 PolarHBondContact OG-N 3.04Å; N445-Y447 VanDerWaalsContact C-N 3.33Å; N445-Y447 PolarHBondContact O-N 3.09Å; Y447-D449 VanDerWaalsContact C-N 3.33Å; Y447-D449 PolarHBondContact O-N 3.15Å; Y447-L450 PolarHBondContact O-N 3.47Å; Y447-L451 HydrophobicContact CE1-CD2 4.03Å; Y447-L451 WeakPolarHBondContact O-CB 3.18Å; Y447-L451 PolarHBondContact O-N 2.76Å
448Q95.8Very high82.6Confident69 Ų6989.3 Ų89.332%0.32244%0.443SS..Hα-helixtrans-63.3-39.1-177.9-65-61.6-36.600112.1L442 S444 N445 L451 L452L442-Q448 PolarHBondContact O-NE2 2.82Å; S444-Q448 WeakPolarHBondContact O-CG 3.47Å; S444-Q448 PolarHBondContact O-N 2.85Å; S444-Q448 VanDerWaalsContact O-N 3.1Å; N445-Q448 PolarHBondContact O-N 3.28Å; Q448-L451 PolarHBondContact O-N 3.23Å; Q448-L452 WeakPolarHBondContact O-CB 3.11Å; Q448-L452 VanDerWaalsContact O-CG 3.24Å; Q448-L452 WeakPolarHBondContact O-CG 3.32Å; Q448-L452 PolarHBondContact O-N 2.78Å
449D93.4Very high79.5Confident105 Ų10593.3 Ų93.356%0.56147%0.474SS*.Hα-helixtrans-64.9-40.7176.8-68.2-21.3000111.4N445 Y447 L452 A453N445-D449 VanDerWaalsContact O-CB 3.26Å; N445-D449 WeakPolarHBondContact O-CB 3.42Å; N445-D449 PolarHBondContact O-N 2.87Å; Y447-D449 VanDerWaalsContact C-N 3.33Å; Y447-D449 PolarHBondContact O-N 3.15Å; D449-L452 PolarHBondContact O-N 3.03Å; D449-A453 WeakPolarHBondContact O-CB 3.38Å; D449-A453 PolarHBondContact O-N 2.89Å
450L92.9Very high76.7Confident44 Ų44100.9 Ų100.923%0.2350%0.501CS..Hα-helixtrans-65.5-38.2174.2-71.4172.7000112.1V330 W333 Q349 A446 Y447 L452V330-L450 HydrophobicContact CG1-CB 4.04Å; V330-L450 HydrophobicContact CG2-CB 4.42Å; W333-L450 HydrophobicContact CZ3-CD1 4.22Å; Q349-L450 HydrophobicContact CB-CD1 4.4Å; Q349-L450 HydrophobicContact CG-CD1 3.88Å; A446-L450 WeakPolarHBondContact O-CD1 3.42Å; A446-L450 WeakPolarHBondContact O-CG 3.34Å; Y447-L450 PolarHBondContact O-N 3.47Å; L450-L452 VanDerWaalsContact C-N 3.33Å
451L92.3Very high73.8Confident38 Ų38103.8 Ų103.820%0.19953%0.527CS..Hα-helixtrans-69.9-31.7178.1-172.864.6000112Q327 V330 K331 Y447 Q448Q327-L451 WeakPolarHBondContact CG-O 3.49Å; Q327-L451 PolarHBondContact NE2-O 2.86Å; V330-L451 HydrophobicContact CG1-CB 4.28Å; V330-L451 HydrophobicContact CG1-CD1 4.28Å; K331-L451 HydrophobicContact CB-CD1 3.88Å; Y447-L451 HydrophobicContact CE1-CD2 4.03Å; Y447-L451 WeakPolarHBondContact O-CB 3.18Å; Y447-L451 PolarHBondContact O-N 2.76Å; Q448-L451 PolarHBondContact O-N 3.23Å
452L88.7Confident71Confident119 Ų119109 Ų10962%0.62356%0.558SS**Hα-helixtrans-90.9-13.5-179.2-67.8173.5000113.8Q448 D449 L450 K454Q448-L452 WeakPolarHBondContact O-CB 3.11Å; Q448-L452 VanDerWaalsContact O-CG 3.24Å; Q448-L452 WeakPolarHBondContact O-CG 3.32Å; Q448-L452 PolarHBondContact O-N 2.78Å; D449-L452 PolarHBondContact O-N 3.03Å; L450-L452 VanDerWaalsContact C-N 3.33Å; L452-K454 VanDerWaalsContact C-N 3.34Å; L452-K454 PolarHBondContact O-N 3.31Å
453A77.9Confident68.4Low62 Ų62110.8 Ų110.851%0.51259%0.586SS.*  trans-61.589.917800000111.2D449D449-A453 WeakPolarHBondContact O-CB 3.38Å; D449-A453 PolarHBondContact O-N 2.89Å
454K59Low65.4Low178 Ų178109 Ų10977%0.77459%0.59SS**  trans-67.6138.3170.2-72-173.3177.2-1790109.2L452 K456L452-K454 VanDerWaalsContact C-N 3.34Å; L452-K454 PolarHBondContact O-N 3.31Å; K454-K456 PolarHBondContact O-N 3.33Å
455K55.1Low62.8Low172 Ų172117.3 Ų117.375%0.74864%0.643SS**  trans-42.6116.4167.9-86.8-178.4173.9174.20109K457K455-K457 PolarHBondContact O-N 3.14Å
456K41.9Very low61.2Low198 Ų198116.9 Ų116.986%0.86164%0.641SS**  trans-55.3112.9156.3-92.4-179.2176.4174.30105K454 V458K454-K456 PolarHBondContact O-N 3.33Å; K456-V458 PolarHBondContact O-N 3.3Å
457K36.3Very low59.5Low197 Ų197120.4 Ų120.486%0.85765%0.653SS**  trans-52.9112.3171.9-79.6-177.5174.8-179.20106.4K455 S459K455-K457 PolarHBondContact O-N 3.14Å; K457-S459 VanDerWaalsContact C-N 3.31Å; K457-S459 PolarHBondContact O-N 2.66Å
458V37.9Very low57.5Low135 Ų135126.4 Ų126.482%0.81869%0.687SS**  trans-63.5103.9165.5178.40000104.7K456 K460K456-V458 PolarHBondContact O-N 3.3Å; V458-K460 PolarHBondContact O-N 3.07Å
459S33.3Very low55.3Low103 Ų103129.8 Ų129.872%0.7271%0.708SS**  trans-56.5105.2172.5-55.30000106.9K457 V461K457-S459 VanDerWaalsContact C-N 3.31Å; K457-S459 PolarHBondContact O-N 2.66Å; S459-V461 PolarHBondContact O-N 3.48Å
460K37.5Very low52.9Low192 Ų192131.3 Ų131.384%0.83572%0.717SS**  trans-57109164.2-83.2-173.5174.8-177.40105.8V458 V462V458-K460 PolarHBondContact O-N 3.07Å; K460-V462 VanDerWaalsContact C-N 3.33Å; K460-V462 PolarHBondContact O-N 3.32Å
461V36.6Very low50.2Low140 Ų140137.1 Ų137.185%0.84875%0.75SS**  trans-61.1105.4165.21760000105.1S459 G463S459-V461 PolarHBondContact O-N 3.48Å; V461-G463 PolarHBondContact O-N 2.97Å
462V39.6Very low47.2Very low109 Ų109144.2 Ų144.266%0.66179%0.789SS**  trans-68.399.8171.5177.60000106K460 L464K460-V462 VanDerWaalsContact C-N 3.33Å; K460-V462 PolarHBondContact O-N 3.32Å; V462-L464 HydrophobicContact CG1-CD1 3.82Å; V462-L464 HydrophobicContact CG1-CG 3.76Å; V462-L464 PolarHBondContact O-N 3.46Å
463G41.7Very low44Very low75 Ų75146.2 Ų146.277%0.77380%0.802SS**  trans-71.7112.1157.600000107.9V461V461-G463 PolarHBondContact O-N 2.97Å
464L33.3Very low41.2Very low145 Ų145153.2 Ų153.276%0.75983%0.826SS**  trans-112.8158.4167.3-92.1158.3000107.3V462V462-L464 HydrophobicContact CG1-CD1 3.82Å; V462-L464 HydrophobicContact CG1-CG 3.76Å; V462-L464 PolarHBondContact O-N 3.46Å
465P41.9Very low39.6Very low194 Ų194150.9 Ų150.9100%1.2683%0.831SS**  -93.10-65.7317.7000112.4

Retrieved 465 of 465 residues in 2892 ms (Link to these results)

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