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NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed to be not involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession G4VNA0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 148 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.8Very low62.2Low219 Ų219102.2 Ų102.2100%1.07955%0.552SS**  0106.10-68.3-142-96.600108.8V3M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 HydrophobicContact CB-CG2 4.46Å; M1-V3 WeakPolarHBondContact O-CG2 3.5Å; M1-V3 PolarHBondContact O-N 2.95Å
2S38Very low64Low35 Ų35105.3 Ų105.325%0.24558%0.577CS.*  trans-66.397.1169.970.10000107.5S4 W73S2-S4 PolarHBondContact O-N 2.98Å; S2-W73 VanDerWaalsContact CB-CD1 3.44Å
3V51.6Low65.7Low117 Ų117111.7 Ų111.771%0.70959%0.588SS**  trans-75.499-178.2-173.20000105.5M1 T5M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 HydrophobicContact CB-CG2 4.46Å; M1-V3 WeakPolarHBondContact O-CG2 3.5Å; M1-V3 PolarHBondContact O-N 2.95Å; V3-T5 PolarHBondContact O-N 3.29Å; V3-T5 VanDerWaalsContact O-N 3.13Å
4S53.7Low67.1Low14 Ų14115.9 Ų115.910%0.09861%0.61CS.*  trans-50129.5162.198.50000105.9S2 I6 R11S2-S4 PolarHBondContact O-N 2.98Å; S4-I6 CarbonylContact O-C 3.52Å; S4-I6 PolarHBondContact O-N 3.27Å; S4-I6 VanDerWaalsContact O-O 3.14Å; S4-I6 PolarHBondContact OG-O 3.43Å; S4-R11 PolarHBondContact OG-NE 2.91Å; S4-R11 PolarHBondContact OG-NH2 3.15Å
5T61.2Low68.4Low141 Ų141110.2 Ų110.287%0.86558%0.579SS**SBendtrans-55.5-20.2-17848.10000112.8V3V3-T5 PolarHBondContact O-N 3.29Å; V3-T5 VanDerWaalsContact O-N 3.13Å
6I65.4Low69.9Low81 Ų81107.3 Ų107.342%0.41557%0.571SS.*SBendtrans-84.3121.5174.6-57.8161.8000110.2S4 L10 R11S4-I6 CarbonylContact O-C 3.52Å; S4-I6 PolarHBondContact O-N 3.27Å; S4-I6 VanDerWaalsContact O-O 3.14Å; S4-I6 PolarHBondContact OG-O 3.43Å; I6-L10 HydrophobicContact CG2-CB 3.57Å; I6-R11 HydrophobicContact CB-CG 4.47Å; I6-R11 HydrophobicContact CG2-CG 4.06Å
7P71Confident71.2Confident52 Ų52105.8 Ų105.834%0.33856%0.56SS.*  trans-48.8143171.1-26.731.7000112.2H9 L10 R11P7-H9 WeakPolarHBondContact CB-CE1 3.43Å; P7-H9 PolarHBondContact O-N 3.35Å; P7-H9 VanDerWaalsContact O-N 3.08Å; P7-L10 HydrophobicContact CB-CD1 4.42Å; P7-L10 HydrophobicContact CB-CG 4.35Å; P7-L10 HydrophobicContact CG-CD1 3.99Å; P7-L10 HydrophobicContact CG-CG 4.46Å; P7-L10 PolarHBondContact O-N 3.35Å; P7-R11 PolarHBondContact O-N 2.92Å
8P71.9Confident72.5Confident104 Ų104102.1 Ų102.168%0.67555%0.551SS**G310 helixtrans-52.4-37.5-176.2-27.333.8000114L10 R11P8-L10 VanDerWaalsContact C-N 3.28Å; P8-L10 PolarHBondContact O-N 3.32Å; P8-R11 PolarHBondContact O-N 3.2Å
9H80.6Confident73.6Confident155 Ų155101.1 Ų101.172%0.71854%0.542SS*.G310 helixtrans-73.2-14179.965.3-92.6000114.3P7P7-H9 WeakPolarHBondContact CB-CE1 3.43Å; P7-H9 PolarHBondContact O-N 3.35Å; P7-H9 VanDerWaalsContact O-N 3.08Å
10L80.6Confident74.5Confident105 Ų105100.4 Ų100.455%0.5553%0.531SS..G310 helixtrans-97.4-4175.3-64.7-176.9000112.7I6 P7 P8 T12I6-L10 HydrophobicContact CG2-CB 3.57Å; P7-L10 HydrophobicContact CB-CD1 4.42Å; P7-L10 HydrophobicContact CB-CG 4.35Å; P7-L10 HydrophobicContact CG-CD1 3.99Å; P7-L10 HydrophobicContact CG-CG 4.46Å; P7-L10 PolarHBondContact O-N 3.35Å; P8-L10 VanDerWaalsContact C-N 3.28Å; P8-L10 PolarHBondContact O-N 3.32Å; L10-T12 PolarHBondContact O-N 3.38Å
11R76.4Confident75.6Confident101 Ų10197.6 Ų97.638%0.38152%0.518SS..  trans-75.3108.2178.1-63.3-175.9-172.7168.55.3109.7S4 I6 P7 P8 R13S4-R11 PolarHBondContact OG-NE 2.91Å; S4-R11 PolarHBondContact OG-NH2 3.15Å; I6-R11 HydrophobicContact CB-CG 4.47Å; I6-R11 HydrophobicContact CG2-CG 4.06Å; P7-R11 PolarHBondContact O-N 2.92Å; P8-R11 PolarHBondContact O-N 3.2Å; R11-R13 VanDerWaalsContact C-N 3.3Å
12T84.2Confident78.5Confident139 Ų13991.1 Ų91.185%0.85349%0.494SS*.SBendtrans-75.9-19.1176540000113.4L10L10-T12 PolarHBondContact O-N 3.38Å
13R86.2Confident81.2Confident189 Ų18993.4 Ų93.471%0.71350%0.5SS*.SBendtrans-146.2151.9-177.251.6-177.4174-179.4-1.8111.3R11R11-R13 VanDerWaalsContact C-N 3.3Å
14L85.2Confident83.4Confident171 Ų17188.2 Ų88.290%0.89547%0.469SS*.PPolyproline II helixtrans-69.8132.5173.9-63.6173.7000110
15I86Confident85.5Confident30 Ų3090.1 Ų90.115%0.15447%0.474CS..PPolyproline II helixtrans-84.4120.3177.8-55.1174.9000108.5Q19 R20I15-Q19 HydrophobicContact CG2-CB 3.59Å; I15-R20 HydrophobicContact CG2-CG 3.75Å; I15-R20 PolarHBondContact O-NE 3.32Å
16S92.2Very high87.2Confident63 Ų6389 Ų8944%0.44146%0.457SS..PPolyproline II helixtrans-69.4158.4178.773.70000111.8G18 Q19 R20S16-G18 VanDerWaalsContact C-N 3.32Å; S16-G18 PolarHBondContact O-N 3.08Å; S16-Q19 WeakPolarHBondContact O-CB 3.45Å; S16-Q19 PolarHBondContact O-N 3.28Å; S16-Q19 VanDerWaalsContact O-N 3.13Å; S16-Q19 WeakPolarHBondContact OG-CG 3.28Å; S16-Q19 PolarHBondContact OG-N 3.1Å; S16-R20 WeakPolarHBondContact O-CG 3.44Å; S16-R20 PolarHBondContact O-N 2.82Å; S16-R20 VanDerWaalsContact O-N 3.09Å
17H92.3Very high88.6Confident83 Ų8386.3 Ų86.338%0.38445%0.448SS..Hα-helixtrans-56.9-46.2177.2175.5-84.4000111.8Q19 R20 V21 A65H17-Q19 VanDerWaalsContact C-N 3.27Å; H17-Q19 PolarHBondContact O-N 3.13Å; H17-R20 WeakPolarHBondContact O-CA 3.27Å; H17-R20 WeakPolarHBondContact O-CB 3.41Å; H17-R20 PolarHBondContact O-N 3.43Å; H17-V21 WeakPolarHBondContact CE1-CG2 3.49Å; H17-V21 WeakPolarHBondContact O-CG2 3.32Å; H17-V21 PolarHBondContact O-N 3.22Å; H17-A65 PolarHBondContact NE2-O 2.94Å
18G94Very high89.8Confident39 Ų3985.1 Ų85.140%0.40244%0.439SS..Hα-helixtrans-58-37.4176.300000113.3S16 V21 C22S16-G18 VanDerWaalsContact C-N 3.32Å; S16-G18 PolarHBondContact O-N 3.08Å; G18-V21 PolarHBondContact O-N 3.34Å; G18-C22 PolarHBondContact O-N 3.5Å; G18-C22 PolarHBondContact O-SG 2.88Å
19Q93.4Very high91Very high83 Ų8381.5 Ų81.539%0.38841%0.414SS..Hα-helixtrans-64.4-41.5173.3-75.3172.4-24.300112I15 S16 H17 V21 C22 E23I15-Q19 HydrophobicContact CG2-CB 3.59Å; S16-Q19 WeakPolarHBondContact O-CB 3.45Å; S16-Q19 PolarHBondContact O-N 3.28Å; S16-Q19 VanDerWaalsContact O-N 3.13Å; S16-Q19 WeakPolarHBondContact OG-CG 3.28Å; S16-Q19 PolarHBondContact OG-N 3.1Å; H17-Q19 VanDerWaalsContact C-N 3.27Å; H17-Q19 PolarHBondContact O-N 3.13Å; Q19-V21 VanDerWaalsContact C-N 3.34Å; Q19-V21 PolarHBondContact O-N 3.47Å; Q19-C22 WeakPolarHBondContact O-CB 3.32Å; Q19-C22 PolarHBondContact O-N 3.42Å; Q19-E23 WeakPolarHBondContact O-CG 3.49Å; Q19-E23 PolarHBondContact O-N 2.91Å
20R93.2Very high91.7Very high86 Ų8677.6 Ų77.633%0.32539%0.393SS..Hα-helixtrans-63.6-38.9176.5-62.1178.9-167.7-172.72.9112.3I15 S16 H17 E23 L24 V69I15-R20 HydrophobicContact CG2-CG 3.75Å; I15-R20 PolarHBondContact O-NE 3.32Å; S16-R20 WeakPolarHBondContact O-CG 3.44Å; S16-R20 PolarHBondContact O-N 2.82Å; S16-R20 VanDerWaalsContact O-N 3.09Å; H17-R20 WeakPolarHBondContact O-CA 3.27Å; H17-R20 WeakPolarHBondContact O-CB 3.41Å; H17-R20 PolarHBondContact O-N 3.43Å; R20-E23 PolarHBondContact O-N 3.2Å; R20-L24 PolarHBondContact O-N 3.24Å; R20-V69 HydrophobicContact CB-CG1 4.27Å
21V96Very high92.5Very high42 Ų4273.2 Ų73.226%0.25537%0.371SS..Hα-helixtrans-62.2-45.7173.8176.50000110.2H17 G18 Q19 E23 L24 Y25 F53 V69H17-V21 WeakPolarHBondContact CE1-CG2 3.49Å; H17-V21 WeakPolarHBondContact O-CG2 3.32Å; H17-V21 PolarHBondContact O-N 3.22Å; G18-V21 PolarHBondContact O-N 3.34Å; Q19-V21 VanDerWaalsContact C-N 3.34Å; Q19-V21 PolarHBondContact O-N 3.47Å; V21-E23 VanDerWaalsContact C-N 3.35Å; V21-E23 PolarHBondContact O-N 3.06Å; V21-L24 PolarHBondContact O-N 2.89Å; V21-Y25 WeakPolarHBondContact O-CB 3.43Å; V21-Y25 PolarHBondContact O-N 3.15Å; V21-F53 HydrophobicContact CG1-CD1 4.12Å; V21-F53 HydrophobicContact CG1-CE1 4.24Å; V21-V69 HydrophobicContact CG2-CG2 3.62Å
22C96.2Very high93.5Very high84 Ų8469.4 Ų69.457%0.56836%0.358SS*.Hα-helixtrans-62.9-38.8176.8-72.10000112.8G18 Q19 K26G18-C22 PolarHBondContact O-N 3.5Å; G18-C22 PolarHBondContact O-SG 2.88Å; Q19-C22 WeakPolarHBondContact O-CB 3.32Å; Q19-C22 PolarHBondContact O-N 3.42Å; C22-K26 VanDerWaalsContact O-CB 3.31Å; C22-K26 WeakPolarHBondContact O-CB 3.23Å; C22-K26 PolarHBondContact O-N 3.31Å
23E95Very high94Very high82 Ų8266.3 Ų66.338%0.38333%0.332SS..Hα-helixtrans-62.7-48.1174.8-75.6174.417700111.5Q19 R20 V21 K26 A27 W73Q19-E23 WeakPolarHBondContact O-CG 3.49Å; Q19-E23 PolarHBondContact O-N 2.91Å; R20-E23 PolarHBondContact O-N 3.2Å; V21-E23 VanDerWaalsContact C-N 3.35Å; V21-E23 PolarHBondContact O-N 3.06Å; E23-K26 PolarHBondContact O-N 3.49Å; E23-A27 WeakPolarHBondContact O-CB 2.97Å; E23-A27 PolarHBondContact O-N 3.16Å; E23-W73 HydrophobicContact CB-CZ2 4.41Å
24L96.5Very high94.5Very high8 Ų858.6 Ų58.64%0.04231%0.309CS..Hα-helixtrans-60.3-48.1175.6177.162.8000111.1R20 V21 K26 A27 V28 F53 W73 L76R20-L24 PolarHBondContact O-N 3.24Å; V21-L24 PolarHBondContact O-N 2.89Å; L24-K26 VanDerWaalsContact C-N 3.32Å; L24-K26 PolarHBondContact O-N 3.19Å; L24-A27 WeakPolarHBondContact O-CB 3.13Å; L24-A27 PolarHBondContact O-N 3.36Å; L24-A27 VanDerWaalsContact O-N 3.11Å; L24-V28 HydrophobicContact CD1-CG2 4.31Å; L24-V28 WeakPolarHBondContact O-CG2 3.12Å; L24-V28 PolarHBondContact O-N 2.96Å; L24-F53 HydrophobicContact CD2-CE1 4.29Å; L24-F53 HydrophobicContact CD2-CZ 4.18Å; L24-F53 HydrophobicContact CG-CE1 4.38Å; L24-F53 HydrophobicContact CG-CZ 4.04Å; L24-W73 HydrophobicContact CB-CZ2 4.16Å; L24-W73 HydrophobicContact CD1-CD2 3.7Å; L24-W73 HydrophobicContact CD1-CE3 4.14Å; L24-W73 HydrophobicContact CD1-CG 3.86Å; L24-W73 HydrophobicContact CD1-CZ2 4.37Å; L24-L76 HydrophobicContact CD1-CD2 4.1Å
25Y97.6Very high95Very high54 Ų5454.5 Ų54.521%0.21228%0.284CS..Hα-helixtrans-58-44.9178.4178.4-110.1000111.8V21 A27 V28 L29 R50 F53V21-Y25 WeakPolarHBondContact O-CB 3.43Å; V21-Y25 PolarHBondContact O-N 3.15Å; Y25-A27 VanDerWaalsContact C-N 3.34Å; Y25-A27 PolarHBondContact O-N 3.28Å; Y25-V28 PolarHBondContact O-N 3.48Å; Y25-L29 HydrophobicContact CD1-CD1 4.14Å; Y25-L29 HydrophobicContact CE1-CD1 3.51Å; Y25-L29 HydrophobicContact CE1-CG 4.24Å; Y25-L29 HydrophobicContact CE2-CD1 4.37Å; Y25-L29 HydrophobicContact CE2-CD2 4.39Å; Y25-L29 HydrophobicContact CE2-CG 4.3Å; Y25-L29 WeakPolarHBondContact O-CG 3.46Å; Y25-L29 PolarHBondContact O-N 2.93Å; Y25-R50 HydrophobicContact CE2-CB 4.37Å; Y25-F53 HydrophobicContact CD2-CD1 4.14Å; Y25-F53 AromaticContact CD2-CD2 3.77Å; Y25-F53 HydrophobicContact CD2-CD2 3.77Å; Y25-F53 HydrophobicContact CD2-CE1 4.26Å; Y25-F53 AromaticContact CD2-CE2 3.9Å; Y25-F53 HydrophobicContact CD2-CE2 3.9Å; Y25-F53 AromaticContact CD2-CG 3.88Å; Y25-F53 HydrophobicContact CD2-CG 3.88Å; Y25-F53 HydrophobicContact CD2-CZ 4.14Å; Y25-F53 HydrophobicContact CE2-CD2 4.37Å
26K96.8Very high95.4Very high117 Ų11755.1 Ų55.151%0.50929%0.286SS..Hα-helixtrans-61.8-41.7175.5-176.2178.7-179.9179.90111.8C22 E23 L24 L29 Y30C22-K26 VanDerWaalsContact O-CB 3.31Å; C22-K26 WeakPolarHBondContact O-CB 3.23Å; C22-K26 PolarHBondContact O-N 3.31Å; E23-K26 PolarHBondContact O-N 3.49Å; L24-K26 VanDerWaalsContact C-N 3.32Å; L24-K26 PolarHBondContact O-N 3.19Å; K26-L29 PolarHBondContact O-N 3.49Å; K26-Y30 HydrophobicContact CD-CE2 4.5Å; K26-Y30 VanDerWaalsContact CE-CZ 3.5Å; K26-Y30 WeakPolarHBondContact CE-OH 3.39Å; K26-Y30 HydrophobicContact CG-CE1 4.41Å; K26-Y30 HydrophobicContact CG-CE2 4.17Å; K26-Y30 PolarHBondContact O-N 3.04Å; K26-Y30 VanDerWaalsContact O-N 3.07Å
27A95.5Very high95.4Very high26 Ų2663.6 Ų63.622%0.21531%0.309CS..Hα-helixtrans-63.6-44.6177.900000111.6E23 L24 Y25 L29 Y30 D31 W73 L76E23-A27 WeakPolarHBondContact O-CB 2.97Å; E23-A27 PolarHBondContact O-N 3.16Å; L24-A27 WeakPolarHBondContact O-CB 3.13Å; L24-A27 PolarHBondContact O-N 3.36Å; L24-A27 VanDerWaalsContact O-N 3.11Å; Y25-A27 VanDerWaalsContact C-N 3.34Å; Y25-A27 PolarHBondContact O-N 3.28Å; A27-L29 PolarHBondContact O-N 3.31Å; A27-Y30 PolarHBondContact O-N 2.96Å; A27-D31 PolarHBondContact O-N 3.33Å; A27-W73 HydrophobicContact CB-CH2 3.82Å; A27-W73 HydrophobicContact CB-CZ3 4.11Å; A27-L76 HydrophobicContact CB-CD2 3.6Å
28V96.8Very high95.6Very high27 Ų2763.2 Ų63.216%0.16431%0.309CS..Hα-helixtrans-58.2-45.9174.4171.90000111.1L24 Y25 Y30 D31 L32 A49 F53 L76L24-V28 HydrophobicContact CD1-CG2 4.31Å; L24-V28 WeakPolarHBondContact O-CG2 3.12Å; L24-V28 PolarHBondContact O-N 2.96Å; Y25-V28 PolarHBondContact O-N 3.48Å; V28-Y30 VanDerWaalsContact C-N 3.33Å; V28-Y30 PolarHBondContact O-N 3.2Å; V28-D31 PolarHBondContact O-N 3.08Å; V28-L32 HydrophobicContact CG1-CD1 4.21Å; V28-L32 HydrophobicContact CG1-CG 4.44Å; V28-L32 WeakPolarHBondContact O-CG 3.35Å; V28-L32 PolarHBondContact O-N 2.74Å; V28-A49 HydrophobicContact CG1-CB 4.15Å; V28-F53 HydrophobicContact CG2-CE2 4.36Å; V28-F53 HydrophobicContact CG2-CZ 4.32Å; V28-L76 HydrophobicContact CG2-CD1 4.16Å; V28-L76 HydrophobicContact CG2-CD2 4.25Å
29L97.1Very high95.7Very high28 Ų2866.4 Ų66.415%0.14732%0.321CS..Hα-helixtrans-63.1-37.7178.5-70.6-176.3000112.8Y25 K26 A27 L32 K33 Y42 A46Y25-L29 HydrophobicContact CD1-CD1 4.14Å; Y25-L29 HydrophobicContact CE1-CD1 3.51Å; Y25-L29 HydrophobicContact CE1-CG 4.24Å; Y25-L29 HydrophobicContact CE2-CD1 4.37Å; Y25-L29 HydrophobicContact CE2-CD2 4.39Å; Y25-L29 HydrophobicContact CE2-CG 4.3Å; Y25-L29 WeakPolarHBondContact O-CG 3.46Å; Y25-L29 PolarHBondContact O-N 2.93Å; K26-L29 PolarHBondContact O-N 3.49Å; A27-L29 PolarHBondContact O-N 3.31Å; L29-L32 HydrophobicContact CD2-CD1 4.5Å; L29-L32 PolarHBondContact O-N 2.87Å; L29-K33 WeakPolarHBondContact O-CB 3.48Å; L29-K33 PolarHBondContact O-N 3.32Å; L29-Y42 WeakPolarHBondContact O-CE2 3.42Å; L29-A46 HydrophobicContact CD2-CB 3.78Å
30Y95.6Very high95.9Very high72 Ų7268.8 Ų68.828%0.28234%0.335SS..Hα-helixtrans-70.5-37.1176.9-73.3-2.2000112.4K26 A27 V28 K33 A34 F85 Y87K26-Y30 HydrophobicContact CD-CE2 4.5Å; K26-Y30 VanDerWaalsContact CE-CZ 3.5Å; K26-Y30 WeakPolarHBondContact CE-OH 3.39Å; K26-Y30 HydrophobicContact CG-CE1 4.41Å; K26-Y30 HydrophobicContact CG-CE2 4.17Å; K26-Y30 PolarHBondContact O-N 3.04Å; K26-Y30 VanDerWaalsContact O-N 3.07Å; A27-Y30 PolarHBondContact O-N 2.96Å; V28-Y30 VanDerWaalsContact C-N 3.33Å; V28-Y30 PolarHBondContact O-N 3.2Å; Y30-K33 PolarHBondContact O-N 3.35Å; Y30-A34 PolarHBondContact O-N 2.95Å; Y30-F85 HydrophobicContact CD1-CD1 4.29Å; Y30-F85 HydrophobicContact CG-CD1 4.26Å; Y30-F85 WeakPolarHBondContact O-CB 3.25Å; Y30-Y87 HydrophobicContact CE1-CE2 4.46Å; Y30-Y87 AromaticContact CZ-CE2 3.94Å; Y30-Y87 WeakPolarHBondContact OH-CE2 3.48Å
31D96.5Very high96.1Very high14 Ų1470.6 Ų70.68%0.07535%0.345CS..Hα-helixtrans-62.2-46.1171.9178.866000111.5A27 V28 K33 A34 K35 L76 E80 A81A27-D31 PolarHBondContact O-N 3.33Å; V28-D31 PolarHBondContact O-N 3.08Å; D31-K33 VanDerWaalsContact C-N 3.29Å; D31-K33 PolarHBondContact O-N 3.31Å; D31-A34 WeakPolarHBondContact O-CB 3.43Å; D31-A34 PolarHBondContact O-N 3.47Å; D31-K35 WeakPolarHBondContact O-CG 3.44Å; D31-K35 PolarHBondContact O-N 2.91Å; D31-K35 IonicContact OD1-NZ 2.74Å; D31-K35 WeakPolarHBondContact OD2-CE 3.33Å; D31-K35 IonicContact OD2-NZ 3.31Å; D31-K35 PolarHBondContact OD2-NZ 2.66Å; D31-L76 HydrophobicContact CB-CD1 3.91Å; D31-E80 WeakPolarHBondContact OD1-CA 3.36Å; D31-A81 PolarHBondContact OD1-N 3.13Å
32L97.2Very high96.2Very high21 Ų2171.4 Ų71.411%0.1135%0.345CS..Hα-helixtrans-59.7-39.8174.1-71.8178.5000112.3V28 L29 A34 K35 H36 Y42 H45 A49V28-L32 HydrophobicContact CG1-CD1 4.21Å; V28-L32 HydrophobicContact CG1-CG 4.44Å; V28-L32 WeakPolarHBondContact O-CG 3.35Å; V28-L32 PolarHBondContact O-N 2.74Å; L29-L32 HydrophobicContact CD2-CD1 4.5Å; L29-L32 PolarHBondContact O-N 2.87Å; L32-A34 VanDerWaalsContact C-N 3.29Å; L32-A34 PolarHBondContact O-N 2.97Å; L32-K35 PolarHBondContact O-N 3.49Å; L32-H36 WeakPolarHBondContact O-CB 3.48Å; L32-H36 PolarHBondContact O-CD2 2.83Å; L32-H36 VanDerWaalsContact O-CD2 3.22Å; L32-H36 PolarHBondContact O-N 3.06Å; L32-Y42 HydrophobicContact CB-CD2 4.12Å; L32-Y42 HydrophobicContact CB-CE2 4.14Å; L32-H45 HydrophobicContact CD1-CB 4.24Å; L32-H45 HydrophobicContact CD2-CB 4.01Å; L32-A49 HydrophobicContact CD1-CB 3.87Å
33K95.5Very high96.3Very high73 Ų7376 Ų7632%0.31735%0.35SS..Hα-helixtrans-66.1-33.1176-169.2176.3179-177.70112.1L29 Y30 D31 Y42 F85L29-K33 WeakPolarHBondContact O-CB 3.48Å; L29-K33 PolarHBondContact O-N 3.32Å; Y30-K33 PolarHBondContact O-N 3.35Å; D31-K33 VanDerWaalsContact C-N 3.29Å; D31-K33 PolarHBondContact O-N 3.31Å; K33-Y42 HydrophobicContact CB-CD2 4.01Å; K33-Y42 HydrophobicContact CB-CE2 3.85Å; K33-F85 HydrophobicContact CD-CD1 3.95Å; K33-F85 HydrophobicContact CD-CD2 4.1Å; K33-F85 HydrophobicContact CD-CE1 3.93Å; K33-F85 HydrophobicContact CD-CE2 4.09Å; K33-F85 HydrophobicContact CD-CG 4.04Å; K33-F85 HydrophobicContact CD-CZ 4.03Å; K33-F85 HydrophobicContact CG-CD2 4.3Å; K33-F85 HydrophobicContact CG-CG 4.3Å
34A95.2Very high96.4Very high27 Ų2779.1 Ų79.122%0.22336%0.359CS..Hα-helixtrans-68.5-41174.500000111.8Y30 D31 L32 A81 F85Y30-A34 PolarHBondContact O-N 2.95Å; D31-A34 WeakPolarHBondContact O-CB 3.43Å; D31-A34 PolarHBondContact O-N 3.47Å; L32-A34 VanDerWaalsContact C-N 3.29Å; L32-A34 PolarHBondContact O-N 2.97Å; A34-A81 HydrophobicContact CB-CB 3.84Å; A34-F85 HydrophobicContact CB-CB 4.01Å
35K95.7Very high96.5Very high86 Ų8681.8 Ų81.837%0.37437%0.371SS..Hα-helixtrans-73-38.2179.2-69.7171.4177.2167.60113.2D31 L32 I79 A81D31-K35 WeakPolarHBondContact O-CG 3.44Å; D31-K35 PolarHBondContact O-N 2.91Å; D31-K35 IonicContact OD1-NZ 2.74Å; D31-K35 WeakPolarHBondContact OD2-CE 3.33Å; D31-K35 IonicContact OD2-NZ 3.31Å; D31-K35 PolarHBondContact OD2-NZ 2.66Å; L32-K35 PolarHBondContact O-N 3.49Å; K35-I79 WeakPolarHBondContact CE-O 3.41Å; K35-I79 PolarHBondContact NZ-O 3.01Å; K35-A81 HydrophobicContact CG-CB 4.11Å
36H95.8Very high96.5Very high42 Ų4279.9 Ų79.919%0.19437%0.367CS..  trans-113.595.6-175.2-54.7-65.5000110.9L32 D38 K41 H45L32-H36 WeakPolarHBondContact O-CB 3.48Å; L32-H36 PolarHBondContact O-CD2 2.83Å; L32-H36 VanDerWaalsContact O-CD2 3.22Å; L32-H36 PolarHBondContact O-N 3.06Å; H36-D38 VanDerWaalsContact C-N 3.31Å; H36-K41 HydrophobicContact CB-CB 4.19Å; H36-H45 AromaticContact CD2-CD2 3.53Å; H36-H45 AromaticContact CD2-CG 3.95Å; H36-H45 AromaticContact CE1-CD2 3.2Å; H36-H45 PolarHBondContact CE1-CD2 2.86Å; H36-H45 AromaticContact CE1-NE2 3.32Å; H36-H45 PolarHBondContact CE1-NE2 3.33Å; H36-H45 VanDerWaalsContact CE1-NE2 3.32Å; H36-H45 AromaticContact CG-CD2 3.9Å; H36-H45 AromaticContact ND1-CD2 3.71Å; H36-H45 AromaticContact NE2-CD2 3.08Å; H36-H45 PolarHBondContact NE2-CD2 3.22Å; H36-H45 AromaticContact NE2-CG 3.47Å; H36-H45 AromaticContact NE2-NE2 3.59Å
37R91.3Very high96.6Very high242 Ų24278.8 Ų78.891%0.91337%0.369SS*.  trans-69-30.6175.7-60.3-172.4-167.2-175.64.8113
38D96.2Very high96.7Very high75 Ų7581.3 Ų81.340%0.40138%0.379SS..SBendtrans-74.1126.7174.3179.5-6.1000110H36 L40 K41 Y42H36-D38 VanDerWaalsContact C-N 3.31Å; D38-L40 VanDerWaalsContact C-N 3.29Å; D38-L40 PolarHBondContact O-N 3.4Å; D38-L40 PolarHBondContact OD1-N 2.92Å; D38-K41 HydrophobicContact CB-CB 4.23Å; D38-K41 HydrophobicContact CB-CD 4.19Å; D38-K41 HydrophobicContact CB-CG 4.16Å; D38-K41 PolarHBondContact O-N 3.46Å; D38-Y42 WeakPolarHBondContact O-CB 3.44Å; D38-Y42 PolarHBondContact O-N 2.77Å
39V96.1Very high96.8Very high105 Ų10580.6 Ų80.664%0.63638%0.376SS*.Hα-helixtrans-59.6-38.4-178.2-178.50000111.7R43V39-R43 VanDerWaalsContact O-CB 3.28Å; V39-R43 WeakPolarHBondContact O-CB 3.41Å; V39-R43 PolarHBondContact O-N 3.25Å
40L97.7Very high96.8Very high133 Ų13384.8 Ų84.870%0.69639%0.39SS*.Hα-helixtrans-70.4-44-178.3-68.3177.4000111.3D38 R43 Y44D38-L40 VanDerWaalsContact C-N 3.29Å; D38-L40 PolarHBondContact O-N 3.4Å; D38-L40 PolarHBondContact OD1-N 2.92Å; L40-R43 PolarHBondContact O-N 2.69Å; L40-Y44 PolarHBondContact O-N 3.06Å
41K97.7Very high96.9Very high124 Ų12483.5 Ų83.554%0.53939%0.394SS..Hα-helixtrans-62.6-47.1175.2-66.5-176.2-176.9179.20111H36 D38 R43 Y44 H45H36-K41 HydrophobicContact CB-CB 4.19Å; D38-K41 HydrophobicContact CB-CB 4.23Å; D38-K41 HydrophobicContact CB-CD 4.19Å; D38-K41 HydrophobicContact CB-CG 4.16Å; D38-K41 PolarHBondContact O-N 3.46Å; K41-R43 VanDerWaalsContact C-N 3.31Å; K41-R43 PolarHBondContact O-N 3.22Å; K41-Y44 PolarHBondContact O-N 2.96Å; K41-H45 PolarHBondContact O-CD2 3.07Å; K41-H45 PolarHBondContact O-N 3.29Å; K41-H45 VanDerWaalsContact O-N 3.1Å
42Y97.8Very high97Very high60 Ų6089 Ų8924%0.23541%0.414CS..Hα-helixtrans-54.8-48.5174.5164.8-107.3000111.2L29 L32 K33 D38 Y44 H45 A46L29-Y42 WeakPolarHBondContact O-CE2 3.42Å; L32-Y42 HydrophobicContact CB-CD2 4.12Å; L32-Y42 HydrophobicContact CB-CE2 4.14Å; K33-Y42 HydrophobicContact CB-CD2 4.01Å; K33-Y42 HydrophobicContact CB-CE2 3.85Å; D38-Y42 WeakPolarHBondContact O-CB 3.44Å; D38-Y42 PolarHBondContact O-N 2.77Å; Y42-Y44 PolarHBondContact O-N 3.3Å; Y42-H45 PolarHBondContact O-N 3.36Å; Y42-A46 HydrophobicContact CE2-CB 4.19Å; Y42-A46 VanDerWaalsContact O-CB 3.27Å; Y42-A46 WeakPolarHBondContact O-CB 3.49Å; Y42-A46 PolarHBondContact O-N 2.95Å
43R98.1Very high97Very high179 Ų17990.5 Ų90.568%0.67542%0.419SS*.Hα-helixtrans-62.8-41.8-177.6-170.9167.4-172.6156.30.3112.1V39 L40 K41 A46 V47V39-R43 VanDerWaalsContact O-CB 3.28Å; V39-R43 WeakPolarHBondContact O-CB 3.41Å; V39-R43 PolarHBondContact O-N 3.25Å; L40-R43 PolarHBondContact O-N 2.69Å; K41-R43 VanDerWaalsContact C-N 3.31Å; K41-R43 PolarHBondContact O-N 3.22Å; R43-A46 PolarHBondContact O-N 3.44Å; R43-V47 WeakPolarHBondContact O-CG2 3.37Å; R43-V47 PolarHBondContact O-N 3.47Å
44Y98.3Very high97.1Very high148 Ų14890.5 Ų90.558%0.5842%0.421SS*.Hα-helixtrans-57.4-52.8174.6175.6-104.9000111.4L40 K41 Y42 A46 V47 L48L40-Y44 PolarHBondContact O-N 3.06Å; K41-Y44 PolarHBondContact O-N 2.96Å; Y42-Y44 PolarHBondContact O-N 3.3Å; Y44-A46 PolarHBondContact O-N 3.36Å; Y44-V47 PolarHBondContact O-N 3.05Å; Y44-L48 HydrophobicContact CD1-CD1 4.11Å; Y44-L48 HydrophobicContact CE1-CD1 3.51Å; Y44-L48 HydrophobicContact CE1-CG 4.45Å; Y44-L48 HydrophobicContact CE2-CD1 4.36Å; Y44-L48 PolarHBondContact O-N 3.19Å; Y44-L48 VanDerWaalsContact O-N 3.15Å
45H98.1Very high97.2Very high65 Ų6596.4 Ų96.430%0.30144%0.444SS..Hα-helixtrans-66.9-34.8180-71-70.3000113.2L32 H36 K41 Y42 V47 L48 A49L32-H45 HydrophobicContact CD1-CB 4.24Å; L32-H45 HydrophobicContact CD2-CB 4.01Å; H36-H45 AromaticContact CD2-CD2 3.53Å; H36-H45 AromaticContact CD2-CG 3.95Å; H36-H45 AromaticContact CE1-CD2 3.2Å; H36-H45 PolarHBondContact CE1-CD2 2.86Å; H36-H45 AromaticContact CE1-NE2 3.32Å; H36-H45 PolarHBondContact CE1-NE2 3.33Å; H36-H45 VanDerWaalsContact CE1-NE2 3.32Å; H36-H45 AromaticContact CG-CD2 3.9Å; H36-H45 AromaticContact ND1-CD2 3.71Å; H36-H45 AromaticContact NE2-CD2 3.08Å; H36-H45 PolarHBondContact NE2-CD2 3.22Å; H36-H45 AromaticContact NE2-CG 3.47Å; H36-H45 AromaticContact NE2-NE2 3.59Å; K41-H45 PolarHBondContact O-CD2 3.07Å; K41-H45 PolarHBondContact O-N 3.29Å; K41-H45 VanDerWaalsContact O-N 3.1Å; Y42-H45 PolarHBondContact O-N 3.36Å; H45-V47 VanDerWaalsContact C-N 3.33Å; H45-V47 PolarHBondContact O-N 2.94Å; H45-L48 PolarHBondContact O-N 3.38Å; H45-A49 WeakPolarHBondContact O-CB 3.38Å; H45-A49 PolarHBondContact O-N 3.4Å
46A98.2Very high97.2Very high14 Ų1496 Ų9612%0.11645%0.446CS..Hα-helixtrans-63.8-38175.800000112L29 Y42 R43 Y44 A49 R50L29-A46 HydrophobicContact CD2-CB 3.78Å; Y42-A46 HydrophobicContact CE2-CB 4.19Å; Y42-A46 VanDerWaalsContact O-CB 3.27Å; Y42-A46 WeakPolarHBondContact O-CB 3.49Å; Y42-A46 PolarHBondContact O-N 2.95Å; R43-A46 PolarHBondContact O-N 3.44Å; Y44-A46 PolarHBondContact O-N 3.36Å; A46-A49 PolarHBondContact O-N 3.37Å; A46-R50 WeakPolarHBondContact O-CB 3.43Å; A46-R50 PolarHBondContact O-N 3.02Å
47V98.3Very high97.1Very high93 Ų93102.2 Ų102.256%0.56447%0.467SS*.Hα-helixtrans-67.9-42.5175.4172.10000111.1R43 Y44 H45 R50 A51R43-V47 WeakPolarHBondContact O-CG2 3.37Å; R43-V47 PolarHBondContact O-N 3.47Å; Y44-V47 PolarHBondContact O-N 3.05Å; H45-V47 VanDerWaalsContact C-N 3.33Å; H45-V47 PolarHBondContact O-N 2.94Å; V47-R50 WeakPolarHBondContact O-CB 3.47Å; V47-R50 PolarHBondContact O-N 3.11Å; V47-A51 PolarHBondContact O-N 2.9Å
48L98.2Very high97.2Very high79 Ų7997.3 Ų97.341%0.41446%0.459SS..Hα-helixtrans-61.8-43.6174.6-67.3179000112.1Y44 H45 R50 A51 R52Y44-L48 HydrophobicContact CD1-CD1 4.11Å; Y44-L48 HydrophobicContact CE1-CD1 3.51Å; Y44-L48 HydrophobicContact CE1-CG 4.45Å; Y44-L48 HydrophobicContact CE2-CD1 4.36Å; Y44-L48 PolarHBondContact O-N 3.19Å; Y44-L48 VanDerWaalsContact O-N 3.15Å; H45-L48 PolarHBondContact O-N 3.38Å; L48-R50 VanDerWaalsContact C-N 3.33Å; L48-R50 PolarHBondContact O-N 2.96Å; L48-A51 WeakPolarHBondContact O-CB 3.46Å; L48-A51 PolarHBondContact O-N 3.44Å; L48-R52 PolarHBondContact O-N 2.93Å; L48-R52 VanDerWaalsContact O-N 3.16Å
49A97.4Very high97.1Very high12 Ų1296.2 Ų96.210%0.09945%0.453CS..Hα-helixtrans-60.8-44.4173.800000110.7V28 L32 H45 A46 A51 R52 F53V28-A49 HydrophobicContact CG1-CB 4.15Å; L32-A49 HydrophobicContact CD1-CB 3.87Å; H45-A49 WeakPolarHBondContact O-CB 3.38Å; H45-A49 PolarHBondContact O-N 3.4Å; A46-A49 PolarHBondContact O-N 3.37Å; A49-A51 VanDerWaalsContact C-N 3.31Å; A49-A51 PolarHBondContact O-N 2.82Å; A49-R52 WeakPolarHBondContact O-CB 3.31Å; A49-R52 PolarHBondContact O-N 3.36Å; A49-F53 WeakPolarHBondContact O-CD2 3.36Å; A49-F53 PolarHBondContact O-N 3.46Å; A49-F53 VanDerWaalsContact O-N 3.15Å
50R98.3Very high97Very high116 Ų116101 Ų10144%0.43847%0.465SS..Hα-helixtrans-59.3-41.2176.7179.955.8-176.4-132.55.1112.4Y25 A46 V47 L48 R52 F53 E54Y25-R50 HydrophobicContact CE2-CB 4.37Å; A46-R50 WeakPolarHBondContact O-CB 3.43Å; A46-R50 PolarHBondContact O-N 3.02Å; V47-R50 WeakPolarHBondContact O-CB 3.47Å; V47-R50 PolarHBondContact O-N 3.11Å; L48-R50 VanDerWaalsContact C-N 3.33Å; L48-R50 PolarHBondContact O-N 2.96Å; R50-R52 PolarHBondContact O-N 3.38Å; R50-F53 PolarHBondContact O-N 2.87Å; R50-E54 IonicContact CZ-OE2 2.97Å; R50-E54 IonicContact NE-OE2 3.49Å; R50-E54 PolarHBondContact NE-OE2 3.32Å; R50-E54 IonicContact NH2-OE2 2.72Å; R50-E54 PolarHBondContact NH2-OE2 3.31Å; R50-E54 PolarHBondContact O-N 3.03Å
51A98.3Very high96.9Very high45 Ų4598.6 Ų98.637%0.37245%0.453SS..Hα-helixtrans-58.6-46.4176.100000111.6V47 L48 A49 F53 E54 E55V47-A51 PolarHBondContact O-N 2.9Å; L48-A51 WeakPolarHBondContact O-CB 3.46Å; L48-A51 PolarHBondContact O-N 3.44Å; A49-A51 VanDerWaalsContact C-N 3.31Å; A49-A51 PolarHBondContact O-N 2.82Å; A51-F53 VanDerWaalsContact C-N 3.31Å; A51-F53 PolarHBondContact O-N 3.43Å; A51-E54 PolarHBondContact O-N 3.06Å; A51-E55 WeakPolarHBondContact O-CG 3.49Å; A51-E55 PolarHBondContact O-N 3.11Å
52R97.2Very high96.8Very high129 Ų129100.7 Ų100.749%0.48747%0.465SS..Hα-helixtrans-57.6-39.6175.5-71.7179.965.4-167.8-3.4113.3L48 A49 R50 N56 E75L48-R52 PolarHBondContact O-N 2.93Å; L48-R52 VanDerWaalsContact O-N 3.16Å; A49-R52 WeakPolarHBondContact O-CB 3.31Å; A49-R52 PolarHBondContact O-N 3.36Å; R50-R52 PolarHBondContact O-N 3.38Å; R52-N56 PolarHBondContact O-ND2 2.86Å; R52-E75 IonicContact CZ-OE1 3.63Å; R52-E75 IonicContact CZ-OE2 3.72Å; R52-E75 IonicContact NH1-OE1 3.21Å; R52-E75 PolarHBondContact NH1-OE1 2.93Å; R52-E75 IonicContact NH1-OE2 2.66Å; R52-E75 IonicContact NH2-OE1 2.73Å; R52-E75 PolarHBondContact NH2-OE1 3.14Å; R52-E75 IonicContact NH2-OE2 3.63Å; R52-E75 PolarHBondContact NH2-OE2 3.35Å
53F97.8Very high96.6Very high53 Ų53103.7 Ų103.723%0.23248%0.484CS..Hα-helixtrans-70.1-36.3176-84.8-99.7000111.9V21 L24 Y25 V28 A49 R50 A51 N56 R57V21-F53 HydrophobicContact CG1-CD1 4.12Å; V21-F53 HydrophobicContact CG1-CE1 4.24Å; L24-F53 HydrophobicContact CD2-CE1 4.29Å; L24-F53 HydrophobicContact CD2-CZ 4.18Å; L24-F53 HydrophobicContact CG-CE1 4.38Å; L24-F53 HydrophobicContact CG-CZ 4.04Å; Y25-F53 HydrophobicContact CD2-CD1 4.14Å; Y25-F53 AromaticContact CD2-CD2 3.77Å; Y25-F53 HydrophobicContact CD2-CD2 3.77Å; Y25-F53 HydrophobicContact CD2-CE1 4.26Å; Y25-F53 AromaticContact CD2-CE2 3.9Å; Y25-F53 HydrophobicContact CD2-CE2 3.9Å; Y25-F53 AromaticContact CD2-CG 3.88Å; Y25-F53 HydrophobicContact CD2-CG 3.88Å; Y25-F53 HydrophobicContact CD2-CZ 4.14Å; Y25-F53 HydrophobicContact CE2-CD2 4.37Å; V28-F53 HydrophobicContact CG2-CE2 4.36Å; V28-F53 HydrophobicContact CG2-CZ 4.32Å; A49-F53 WeakPolarHBondContact O-CD2 3.36Å; A49-F53 PolarHBondContact O-N 3.46Å; A49-F53 VanDerWaalsContact O-N 3.15Å; R50-F53 PolarHBondContact O-N 2.87Å; A51-F53 VanDerWaalsContact C-N 3.31Å; A51-F53 PolarHBondContact O-N 3.43Å; F53-N56 PolarHBondContact O-N 3.21Å; F53-R57 PolarHBondContact O-N 2.82Å
54E97.8Very high96.5Very high73 Ų7399 Ų9934%0.34147%0.471SS..Hα-helixtrans-70-36.8-179.7-160.868.7-152.200112R50 A51 N56 R57R50-E54 IonicContact CZ-OE2 2.97Å; R50-E54 IonicContact NE-OE2 3.49Å; R50-E54 PolarHBondContact NE-OE2 3.32Å; R50-E54 IonicContact NH2-OE2 2.72Å; R50-E54 PolarHBondContact NH2-OE2 3.31Å; R50-E54 PolarHBondContact O-N 3.03Å; A51-E54 PolarHBondContact O-N 3.06Å; E54-N56 PolarHBondContact O-N 3.01Å; E54-R57 VanDerWaalsContact O-CB 3.23Å; E54-R57 WeakPolarHBondContact O-CB 3.4Å; E54-R57 PolarHBondContact O-N 3.31Å; E54-R57 VanDerWaalsContact O-N 3.08Å; E54-R57 WeakPolarHBondContact OE1-CD 3.44Å; E54-R57 IonicContact OE1-CZ 3.15Å; E54-R57 IonicContact OE1-NE 3.17Å; E54-R57 IonicContact OE1-NH1 3.83Å; E54-R57 PolarHBondContact OE1-NH1 3.43Å
55E96.8Very high96.4Very high151 Ų15192.5 Ų92.571%0.70645%0.449SS*.Hα-helixtrans-54.2-35.3172.9-73.6168.1-173.600112.3A51A51-E55 WeakPolarHBondContact O-CG 3.49Å; A51-E55 PolarHBondContact O-N 3.11Å
56N95.1Very high96.3Very high79 Ų7996.1 Ų96.142%0.42246%0.46SS..THydrogen-bonded Turntrans-98.78.5-177.7-65.3-74.3000113.6R52 F53 E54 N58 I59R52-N56 PolarHBondContact O-ND2 2.86Å; F53-N56 PolarHBondContact O-N 3.21Å; E54-N56 PolarHBondContact O-N 3.01Å; N56-N58 VanDerWaalsContact C-N 3.35Å; N56-N58 PolarHBondContact O-N 3.21Å; N56-I59 HydrophobicContact CB-CD1 3.83Å; N56-I59 WeakPolarHBondContact O-CG1 3.43Å
57R93.6Very high96.2Very high171 Ų171101 Ų10165%0.64548%0.478SS*.THydrogen-bonded Turntrans-65.7-35.2-173.8-179.1178.2172.6-171.3-4113.4F53 E54F53-R57 PolarHBondContact O-N 2.82Å; E54-R57 VanDerWaalsContact O-CB 3.23Å; E54-R57 WeakPolarHBondContact O-CB 3.4Å; E54-R57 PolarHBondContact O-N 3.31Å; E54-R57 VanDerWaalsContact O-N 3.08Å; E54-R57 WeakPolarHBondContact OE1-CD 3.44Å; E54-R57 IonicContact OE1-CZ 3.15Å; E54-R57 IonicContact OE1-NE 3.17Å; E54-R57 IonicContact OE1-NH1 3.83Å; E54-R57 PolarHBondContact OE1-NH1 3.43Å
58N94.4Very high96.1Very high140 Ų14099.6 Ų99.675%0.74947%0.467SS*.THydrogen-bonded Turntrans-103.935.1-169.5-64.3-34000113.4N56 K60N56-N58 VanDerWaalsContact C-N 3.35Å; N56-N58 PolarHBondContact O-N 3.21Å; N58-K60 PolarHBondContact O-N 2.9Å
59I94Very high96Very high52 Ų5296.4 Ų96.427%0.26745%0.451SS..  trans-80.6118.1177.1-63175.1000109.3N56 L64 A65 L68N56-I59 HydrophobicContact CB-CD1 3.83Å; N56-I59 WeakPolarHBondContact O-CG1 3.43Å; I59-L64 HydrophobicContact CG2-CB 4.36Å; I59-L64 HydrophobicContact CG2-CD2 4.06Å; I59-L64 HydrophobicContact CG2-CG 4.33Å; I59-A65 HydrophobicContact CG2-CB 4.18Å; I59-L68 HydrophobicContact CD1-CD1 3.15Å
60K93.9Very high95.9Very high204 Ų20499.9 Ų99.989%0.88747%0.465SS*.  trans-82.5-27.4179.8-65.3-176.3179.9179.90113.5N58 E62N58-K60 PolarHBondContact O-N 2.9Å; K60-E62 PolarHBondContact O-N 3.35Å
61D96.5Very high95.8Very high83 Ų8398.3 Ų98.344%0.44447%0.465SS..  trans-77.2112.4179-179.9-0.7000110.4I63 L64 A65D61-I63 VanDerWaalsContact C-N 3.31Å; D61-I63 PolarHBondContact O-N 3.45Å; D61-I63 PolarHBondContact OD1-N 3.15Å; D61-L64 HydrophobicContact CB-CB 3.97Å; D61-L64 PolarHBondContact O-N 2.99Å; D61-A65 VanDerWaalsContact O-CB 3.3Å; D61-A65 WeakPolarHBondContact O-CB 3.47Å; D61-A65 PolarHBondContact O-N 3.44Å
62E94.3Very high95.7Very high168 Ų16896.9 Ų96.979%0.78546%0.455SS*.Hα-helixtrans-64.9-33.3-178.6-60.2-176.3177.300112.9K60 R66K60-E62 PolarHBondContact O-N 3.35Å; E62-R66 WeakPolarHBondContact O-CB 3.3Å; E62-R66 PolarHBondContact O-N 3.34Å
63I95.1Very high95.7Very high123 Ų12394.1 Ų94.163%0.63145%0.445SS*.Hα-helixtrans-69.5-47.3-179.4-60.4175.9000108.8D61 R66 K67D61-I63 VanDerWaalsContact C-N 3.31Å; D61-I63 PolarHBondContact O-N 3.45Å; D61-I63 PolarHBondContact OD1-N 3.15Å; I63-R66 PolarHBondContact O-N 3.06Å; I63-K67 WeakPolarHBondContact O-CB 3.34Å; I63-K67 PolarHBondContact O-N 3.38Å
64L96Very high95.7Very high80 Ų8093.9 Ų93.942%0.41945%0.453SS..Hα-helixtrans-62.3-45.1175.4-176.364.1000111.3I59 D61 R66 K67 L68I59-L64 HydrophobicContact CG2-CB 4.36Å; I59-L64 HydrophobicContact CG2-CD2 4.06Å; I59-L64 HydrophobicContact CG2-CG 4.33Å; D61-L64 HydrophobicContact CB-CB 3.97Å; D61-L64 PolarHBondContact O-N 2.99Å; L64-R66 VanDerWaalsContact C-N 3.28Å; L64-R66 PolarHBondContact O-N 2.89Å; L64-K67 PolarHBondContact O-N 3.43Å; L64-K67 VanDerWaalsContact O-N 3.15Å; L64-L68 HydrophobicContact CG-CD1 4.22Å; L64-L68 WeakPolarHBondContact O-CG 3.46Å; L64-L68 PolarHBondContact O-N 2.86Å
65A95.6Very high95.6Very high13 Ų1393.9 Ų93.911%0.10745%0.453CS..Hα-helixtrans-61.6-36.4178.400000112.2H17 I59 D61 V69H17-A65 PolarHBondContact NE2-O 2.94Å; I59-A65 HydrophobicContact CG2-CB 4.18Å; D61-A65 VanDerWaalsContact O-CB 3.3Å; D61-A65 WeakPolarHBondContact O-CB 3.47Å; D61-A65 PolarHBondContact O-N 3.44Å; A65-V69 WeakPolarHBondContact O-CG2 3.08Å; A65-V69 PolarHBondContact O-N 2.98Å
66R94.8Very high95.6Very high140 Ų14087.4 Ų87.453%0.52842%0.423SS..Hα-helixtrans-68.1-45.8173.4-174.5175.872.4174.33.2111.3E62 I63 L64 L68 V69 E70E62-R66 WeakPolarHBondContact O-CB 3.3Å; E62-R66 PolarHBondContact O-N 3.34Å; I63-R66 PolarHBondContact O-N 3.06Å; L64-R66 VanDerWaalsContact C-N 3.28Å; L64-R66 PolarHBondContact O-N 2.89Å; R66-L68 VanDerWaalsContact C-N 3.34Å; R66-L68 PolarHBondContact O-N 3.38Å; R66-V69 PolarHBondContact O-N 3.1Å; R66-E70 PolarHBondContact O-N 3.47Å; R66-E70 VanDerWaalsContact O-N 3.1Å
67K96.1Very high95.6Very high117 Ų11791.1 Ų91.151%0.50944%0.435SS..Hα-helixtrans-59.2-44.7179.6-174.1179.5176.3-177.80111.5I63 L64 V69 E70 D71I63-K67 WeakPolarHBondContact O-CB 3.34Å; I63-K67 PolarHBondContact O-N 3.38Å; L64-K67 PolarHBondContact O-N 3.43Å; L64-K67 VanDerWaalsContact O-N 3.15Å; K67-V69 VanDerWaalsContact C-N 3.29Å; K67-V69 PolarHBondContact O-N 3.04Å; K67-E70 WeakPolarHBondContact O-CB 3.42Å; K67-E70 PolarHBondContact O-N 3.02Å; K67-D71 WeakPolarHBondContact O-CB 3.44Å; K67-D71 VanDerWaalsContact O-CG 3.31Å; K67-D71 PolarHBondContact O-N 3.4Å
68L96.3Very high95.7Very high64 Ų6490.9 Ų90.934%0.33544%0.441SS..Hα-helixtrans-60.9-36177.7-74.7169.3000113.3I59 L64 R66 G72I59-L68 HydrophobicContact CD1-CD1 3.15Å; L64-L68 HydrophobicContact CG-CD1 4.22Å; L64-L68 WeakPolarHBondContact O-CG 3.46Å; L64-L68 PolarHBondContact O-N 2.86Å; R66-L68 VanDerWaalsContact C-N 3.34Å; R66-L68 PolarHBondContact O-N 3.38Å; L68-G72 PolarHBondContact O-N 2.98Å
69V96Very high95.7Very high11 Ų1188.2 Ų88.27%0.06743%0.426CS..Hα-helixtrans-67.4-42.1174.2172.60000110.6R20 V21 A65 R66 K67 G72 W73R20-V69 HydrophobicContact CB-CG1 4.27Å; V21-V69 HydrophobicContact CG2-CG2 3.62Å; A65-V69 WeakPolarHBondContact O-CG2 3.08Å; A65-V69 PolarHBondContact O-N 2.98Å; R66-V69 PolarHBondContact O-N 3.1Å; K67-V69 VanDerWaalsContact C-N 3.29Å; K67-V69 PolarHBondContact O-N 3.04Å; V69-G72 PolarHBondContact O-N 3.09Å; V69-W73 PolarHBondContact O-N 3.27Å
70E95.8Very high95.6Very high86 Ų8691.4 Ų91.440%0.40244%0.44SS..Hα-helixtrans-64.2-44.6176.8-69.3178.4176.500112.2R66 K67 W73 A74R66-E70 PolarHBondContact O-N 3.47Å; R66-E70 VanDerWaalsContact O-N 3.1Å; K67-E70 WeakPolarHBondContact O-CB 3.42Å; K67-E70 PolarHBondContact O-N 3.02Å; E70-W73 PolarHBondContact O-N 2.95Å; E70-A74 PolarHBondContact O-N 3.33Å
71D96.8Very high95.6Very high82 Ų8282.2 Ų82.244%0.43940%0.402SS..Hα-helixtrans-63.9-41.3176.3-68.3-16.4000110.7K67 W73 A74 E75K67-D71 WeakPolarHBondContact O-CB 3.44Å; K67-D71 VanDerWaalsContact O-CG 3.31Å; K67-D71 PolarHBondContact O-N 3.4Å; D71-W73 PolarHBondContact O-N 2.92Å; D71-A74 WeakPolarHBondContact O-CB 3.45Å; D71-A74 PolarHBondContact O-N 2.96Å; D71-A74 VanDerWaalsContact O-N 3.11Å; D71-E75 PolarHBondContact O-N 3.13Å
72G96.7Very high95.5Very high15 Ų1583.9 Ų83.916%0.15542%0.418CS..Hα-helixtrans-64.5-35.9176.200000113.4L68 V69 L76L68-G72 PolarHBondContact O-N 2.98Å; V69-G72 PolarHBondContact O-N 3.09Å; G72-L76 WeakPolarHBondContact O-CB 3.47Å; G72-L76 PolarHBondContact O-N 2.81Å
73W96.8Very high95.4Very high72 Ų7284.4 Ų84.427%0.27342%0.418SS..Hα-helixtrans-67.7-37.2170.6-85.2107.8000112.3S2 E23 L24 A27 V69 E70 D71 L76 K77S2-W73 VanDerWaalsContact CB-CD1 3.44Å; E23-W73 HydrophobicContact CB-CZ2 4.41Å; L24-W73 HydrophobicContact CB-CZ2 4.16Å; L24-W73 HydrophobicContact CD1-CD2 3.7Å; L24-W73 HydrophobicContact CD1-CE3 4.14Å; L24-W73 HydrophobicContact CD1-CG 3.86Å; L24-W73 HydrophobicContact CD1-CZ2 4.37Å; A27-W73 HydrophobicContact CB-CH2 3.82Å; A27-W73 HydrophobicContact CB-CZ3 4.11Å; V69-W73 PolarHBondContact O-N 3.27Å; E70-W73 PolarHBondContact O-N 2.95Å; D71-W73 PolarHBondContact O-N 2.92Å; W73-L76 HydrophobicContact CE3-CD2 4.15Å; W73-L76 HydrophobicContact CZ3-CD2 4Å; W73-K77 WeakPolarHBondContact O-CB 3.48Å; W73-K77 PolarHBondContact O-N 3.49Å
74A97Very high95.2Very high48 Ų4882.6 Ų82.640%0.39741%0.414SS..Hα-helixtrans-66.6-43.4175.900000111.4E70 D71 K77 Q78E70-A74 PolarHBondContact O-N 3.33Å; D71-A74 WeakPolarHBondContact O-CB 3.45Å; D71-A74 PolarHBondContact O-N 2.96Å; D71-A74 VanDerWaalsContact O-N 3.11Å; A74-K77 PolarHBondContact O-N 3.3Å; A74-Q78 WeakPolarHBondContact O-CG 3.44Å; A74-Q78 PolarHBondContact O-N 3.23Å
75E96.9Very high95.1Very high73 Ų7381.4 Ų81.434%0.34141%0.405SS..Hα-helixtrans-57.5-52.1172.9-176.4-174.5160.300110.2R52 D71 K77 Q78 I79R52-E75 IonicContact CZ-OE1 3.63Å; R52-E75 IonicContact CZ-OE2 3.72Å; R52-E75 IonicContact NH1-OE1 3.21Å; R52-E75 PolarHBondContact NH1-OE1 2.93Å; R52-E75 IonicContact NH1-OE2 2.66Å; R52-E75 IonicContact NH2-OE1 2.73Å; R52-E75 PolarHBondContact NH2-OE1 3.14Å; R52-E75 IonicContact NH2-OE2 3.63Å; R52-E75 PolarHBondContact NH2-OE2 3.35Å; D71-E75 PolarHBondContact O-N 3.13Å; E75-K77 VanDerWaalsContact C-N 3.29Å; E75-K77 PolarHBondContact O-N 3.4Å; E75-Q78 WeakPolarHBondContact O-CB 3.37Å; E75-Q78 PolarHBondContact O-N 3.01Å; E75-I79 WeakPolarHBondContact O-CG1 3.39Å; E75-I79 PolarHBondContact O-N 3.1Å
76L96.1Very high95Very high14 Ų1485.8 Ų85.87%0.07342%0.422CS..Hα-helixtrans-56.8-43.1-179.8-177.961.2000111.8L24 A27 V28 D31 G72 W73 Q78 I79 E80L24-L76 HydrophobicContact CD1-CD2 4.1Å; A27-L76 HydrophobicContact CB-CD2 3.6Å; V28-L76 HydrophobicContact CG2-CD1 4.16Å; V28-L76 HydrophobicContact CG2-CD2 4.25Å; D31-L76 HydrophobicContact CB-CD1 3.91Å; G72-L76 WeakPolarHBondContact O-CB 3.47Å; G72-L76 PolarHBondContact O-N 2.81Å; W73-L76 HydrophobicContact CE3-CD2 4.15Å; W73-L76 HydrophobicContact CZ3-CD2 4Å; L76-Q78 VanDerWaalsContact C-N 3.28Å; L76-Q78 PolarHBondContact O-N 2.79Å; L76-I79 PolarHBondContact O-N 3.22Å; L76-E80 WeakPolarHBondContact O-CB 3.39Å; L76-E80 PolarHBondContact O-N 3.09Å
77K94.4Very high95Very high157 Ų15783.9 Ų83.968%0.68342%0.416SS*.Hα-helixtrans-64.4-30.5179.1-172.7175.3-178.1-177.70113.2W73 A74 E75W73-K77 WeakPolarHBondContact O-CB 3.48Å; W73-K77 PolarHBondContact O-N 3.49Å; A74-K77 PolarHBondContact O-N 3.3Å; E75-K77 VanDerWaalsContact C-N 3.29Å; E75-K77 PolarHBondContact O-N 3.4Å
78Q95.7Very high95Very high166 Ų16682 Ų8278%0.77642%0.415SS*.Hα-helixtrans-74.8-32.4177.5-71176.53.200112.4A74 E75 L76A74-Q78 WeakPolarHBondContact O-CG 3.44Å; A74-Q78 PolarHBondContact O-N 3.23Å; E75-Q78 WeakPolarHBondContact O-CB 3.37Å; E75-Q78 PolarHBondContact O-N 3.01Å; L76-Q78 VanDerWaalsContact C-N 3.28Å; L76-Q78 PolarHBondContact O-N 2.79Å
79I94.6Very high94.9Very high84 Ų8484.8 Ų84.843%0.43143%0.43SS..Hα-helixtrans-102.9-2.9-173.869.3178.5000113.4K35 E75 L76K35-I79 WeakPolarHBondContact CE-O 3.41Å; K35-I79 PolarHBondContact NZ-O 3.01Å; E75-I79 WeakPolarHBondContact O-CG1 3.39Å; E75-I79 PolarHBondContact O-N 3.1Å; L76-I79 PolarHBondContact O-N 3.22Å
80E93.2Very high94.8Very high119 Ų11985.6 Ų85.656%0.55644%0.438SS*.  trans-56.1140.3-170.467.8-177.7-174.700112.8D31 L76D31-E80 WeakPolarHBondContact OD1-CA 3.36Å; L76-E80 WeakPolarHBondContact O-CB 3.39Å; L76-E80 PolarHBondContact O-N 3.09Å
81A93.7Very high94.6Very high12 Ų1285.8 Ų85.810%0.09945%0.447CS..  trans-62.7135.1176.900000110.3D31 A34 K35 F83D31-A81 PolarHBondContact OD1-N 3.13Å; A34-A81 HydrophobicContact CB-CB 3.84Å; K35-A81 HydrophobicContact CG-CB 4.11Å; A81-F83 PolarHBondContact O-N 2.91Å
82P93.6Very high94.3Very high118 Ų11884.4 Ų84.477%0.76645%0.452SS*.SBendtrans-55.6-30.1177.5-26.533.5000113.5
83F91.9Very high94.1Very high179 Ų17984.3 Ų84.379%0.78545%0.451SS*.SBendtrans-119.692.7175.8-58.4-71.4000109.4A81A81-F83 PolarHBondContact O-N 2.91Å
84P91.9Very high94Very high85 Ų8585.3 Ų85.355%0.55248%0.475SS*.  trans-68.5147.6-177.226.9-34.2000111.5K86P84-K86 PolarHBondContact O-N 2.99Å
85F92.8Very high93.9Very high54 Ų5484.3 Ų84.324%0.23747%0.466CS..  trans-67.9126.7173.6174.6-96000110.2Y30 K33 A34 Y87Y30-F85 HydrophobicContact CD1-CD1 4.29Å; Y30-F85 HydrophobicContact CG-CD1 4.26Å; Y30-F85 WeakPolarHBondContact O-CB 3.25Å; K33-F85 HydrophobicContact CD-CD1 3.95Å; K33-F85 HydrophobicContact CD-CD2 4.1Å; K33-F85 HydrophobicContact CD-CE1 3.93Å; K33-F85 HydrophobicContact CD-CE2 4.09Å; K33-F85 HydrophobicContact CD-CG 4.04Å; K33-F85 HydrophobicContact CD-CZ 4.03Å; K33-F85 HydrophobicContact CG-CD2 4.3Å; K33-F85 HydrophobicContact CG-CG 4.3Å; A34-F85 HydrophobicContact CB-CB 4.01Å; F85-Y87 HydrophobicContact CE1-CD1 4.31Å; F85-Y87 HydrophobicContact CE1-CD2 4.11Å; F85-Y87 HydrophobicContact CE1-CE1 4.01Å; F85-Y87 AromaticContact CE1-CE2 3.8Å; F85-Y87 HydrophobicContact CE1-CE2 3.8Å; F85-Y87 HydrophobicContact CE1-CG 4.35Å; F85-Y87 AromaticContact CE1-CZ 3.74Å; F85-Y87 HydrophobicContact CZ-CD1 4.02Å; F85-Y87 AromaticContact CZ-CE1 3.81Å; F85-Y87 HydrophobicContact CZ-CE1 3.81Å; F85-Y87 HydrophobicContact CZ-CE2 4.41Å; F85-Y87 HydrophobicContact CZ-CG 4.4Å
86K93.2Very high93.9Very high105 Ų10587.5 Ų87.546%0.45748%0.477SS..  trans-134143.1171.3-67.2-172.9173.7-167.60109.7P84 P91 G92P84-K86 PolarHBondContact O-N 2.99Å; K86-P91 PolarHBondContact NZ-O 2.9Å; K86-G92 WeakPolarHBondContact CD-O 3.4Å
87Y95Very high93.7Very high101 Ų10190.1 Ų90.140%0.39651%0.506SS..  trans-67147.5168.7-67.5-79.8000109.7Y30 F85 D89 A90 G93Y30-Y87 HydrophobicContact CE1-CE2 4.46Å; Y30-Y87 AromaticContact CZ-CE2 3.94Å; Y30-Y87 WeakPolarHBondContact OH-CE2 3.48Å; F85-Y87 HydrophobicContact CE1-CD1 4.31Å; F85-Y87 HydrophobicContact CE1-CD2 4.11Å; F85-Y87 HydrophobicContact CE1-CE1 4.01Å; F85-Y87 AromaticContact CE1-CE2 3.8Å; F85-Y87 HydrophobicContact CE1-CE2 3.8Å; F85-Y87 HydrophobicContact CE1-CG 4.35Å; F85-Y87 AromaticContact CE1-CZ 3.74Å; F85-Y87 HydrophobicContact CZ-CD1 4.02Å; F85-Y87 AromaticContact CZ-CE1 3.81Å; F85-Y87 HydrophobicContact CZ-CE1 3.81Å; F85-Y87 HydrophobicContact CZ-CE2 4.41Å; F85-Y87 HydrophobicContact CZ-CG 4.4Å; Y87-D89 WeakPolarHBondContact CB-OD1 3.5Å; Y87-D89 PolarHBondContact O-N 3.14Å; Y87-A90 WeakPolarHBondContact O-CB 3.47Å; Y87-A90 PolarHBondContact O-N 3.25Å; Y87-A90 VanDerWaalsContact O-N 3.1Å; Y87-G93 WeakPolarHBondContact O-CA 3.49Å
88P96.1Very high93.8Very high78 Ų7891.5 Ų91.551%0.50651%0.507SS..THydrogen-bonded Turntrans-55.3-40-175-26.935.3000113.5G93 A94 A95 Y96P88-G93 CarbonylContact O-C 3.57Å; P88-G93 VanDerWaalsContact O-C 3.3Å; P88-A94 PolarHBondContact O-N 2.82Å; P88-A95 HydrophobicContact CB-CB 3.96Å; P88-A95 CarbonylContact O-C 3.3Å; P88-A95 VanDerWaalsContact O-CA 3.25Å; P88-A95 WeakPolarHBondContact O-CA 3.29Å; P88-A95 PolarHBondContact O-N 2.96Å; P88-Y96 PolarHBondContact O-N 3.48Å
89D95Very high93.6Very high121 Ų12191.8 Ų91.865%0.64751%0.509SS*.THydrogen-bonded Turntrans-86.6-11.1-178.262.8-34.3000114Y87 Y96Y87-D89 WeakPolarHBondContact CB-OD1 3.5Å; Y87-D89 PolarHBondContact O-N 3.14Å; D89-Y96 WeakPolarHBondContact O-CD2 3.38Å
90A93.3Very high93.3Very high28 Ų2894.6 Ų94.623%0.23152%0.52CS..SBendtrans-75.2157.1178.400000111.6Y87 G92 G93 Y96Y87-A90 WeakPolarHBondContact O-CB 3.47Å; Y87-A90 PolarHBondContact O-N 3.25Å; Y87-A90 VanDerWaalsContact O-N 3.1Å; A90-G92 PolarHBondContact O-N 3.24Å; A90-G92 VanDerWaalsContact O-N 3.09Å; A90-G93 WeakPolarHBondContact O-CA 3.43Å; A90-G93 PolarHBondContact O-N 2.83Å; A90-Y96 WeakPolarHBondContact O-CB 3.43Å
91P91.4Very high93.1Very high90 Ų9094.9 Ų94.958%0.58453%0.53SS*.THydrogen-bonded Turntrans-51.4116.6176.9-29.436000114.2K86 Y96K86-P91 PolarHBondContact NZ-O 2.9Å; P91-Y96 HydrophobicContact CB-CE2 4.2Å; P91-Y96 HydrophobicContact CG-CD2 4.43Å; P91-Y96 HydrophobicContact CG-CE2 3.89Å
92G90.7Very high92.9Very high54 Ų54101 Ų10156%0.55755%0.554SS**THydrogen-bonded Turntrans79.413.3-175.500000115K86 A90K86-G92 WeakPolarHBondContact CD-O 3.4Å; A90-G92 PolarHBondContact O-N 3.24Å; A90-G92 VanDerWaalsContact O-N 3.09Å
93G93.4Very high92.8Very high13 Ų13101 Ų10113%0.13455%0.547CS..SBendtrans-77.6165164.400000112.1Y87 P88 A90 A95 Y96Y87-G93 WeakPolarHBondContact O-CA 3.49Å; P88-G93 CarbonylContact O-C 3.57Å; P88-G93 VanDerWaalsContact O-C 3.3Å; A90-G93 WeakPolarHBondContact O-CA 3.43Å; A90-G93 PolarHBondContact O-N 2.83Å; G93-A95 PolarHBondContact O-N 2.89Å; G93-A95 VanDerWaalsContact O-N 3.14Å; G93-Y96 WeakPolarHBondContact O-CB 3.5Å; G93-Y96 PolarHBondContact O-N 2.92Å
94A94.5Very high92.8Very high93 Ų9396.6 Ų96.677%0.76953%0.532SS*.THydrogen-bonded Turntrans-67.5-11.5-173.700000115.4P88 R98P88-A94 PolarHBondContact O-N 2.82Å; A94-R98 PolarHBondContact O-NH2 3.19Å
95A95.6Very high92.8Very high26 Ų2695.8 Ų95.822%0.21553%0.528CS..THydrogen-bonded Turntrans-125.915.9178.200000112.4P88 G93 G97 R98P88-A95 HydrophobicContact CB-CB 3.96Å; P88-A95 CarbonylContact O-C 3.3Å; P88-A95 VanDerWaalsContact O-CA 3.25Å; P88-A95 WeakPolarHBondContact O-CA 3.29Å; P88-A95 PolarHBondContact O-N 2.96Å; G93-A95 PolarHBondContact O-N 2.89Å; G93-A95 VanDerWaalsContact O-N 3.14Å; A95-G97 PolarHBondContact O-N 3.38Å; A95-R98 HydrophobicContact CB-CB 4.35Å; A95-R98 VanDerWaalsContact O-CB 3.29Å; A95-R98 WeakPolarHBondContact O-CB 3.3Å; A95-R98 PolarHBondContact O-N 3.08Å; A95-R98 VanDerWaalsContact O-N 3.14Å
96Y95.1Very high92.8Very high141 Ų14196.2 Ų96.255%0.55353%0.533SS*.THydrogen-bonded Turntrans-62123.2179-179-112.6000110.7P88 D89 A90 P91 G93 R98P88-Y96 PolarHBondContact O-N 3.48Å; D89-Y96 WeakPolarHBondContact O-CD2 3.38Å; A90-Y96 WeakPolarHBondContact O-CB 3.43Å; P91-Y96 HydrophobicContact CB-CE2 4.2Å; P91-Y96 HydrophobicContact CG-CD2 4.43Å; P91-Y96 HydrophobicContact CG-CE2 3.89Å; G93-Y96 WeakPolarHBondContact O-CB 3.5Å; G93-Y96 PolarHBondContact O-N 2.92Å; Y96-R98 PolarHBondContact O-N 3.5Å
97G93.7Very high92.9Very high68 Ų6895 Ų9570%0.70153%0.526SS*.THydrogen-bonded Turntrans63.821.5-179.300000114.1A95 E99A95-G97 PolarHBondContact O-N 3.38Å; G97-E99 VanDerWaalsContact C-N 3.34Å
98R95.3Very high92.8Very high186 Ų18693 Ų9370%0.70252%0.523SS*.  trans-64-39.7179.8-178.6178.4-67.5-173.50.3112.3A94 A95 Y96A94-R98 PolarHBondContact O-NH2 3.19Å; A95-R98 HydrophobicContact CB-CB 4.35Å; A95-R98 VanDerWaalsContact O-CB 3.29Å; A95-R98 WeakPolarHBondContact O-CB 3.3Å; A95-R98 PolarHBondContact O-N 3.08Å; A95-R98 VanDerWaalsContact O-N 3.14Å; Y96-R98 PolarHBondContact O-N 3.5Å
99E92.6Very high92.7Very high172 Ų17296.3 Ų96.380%0.80454%0.535SS*.SBendtrans-91126.8178.8-69.6179.7-170.400110.5G97G97-E99 VanDerWaalsContact C-N 3.34Å
100H87.1Confident92.7Very high143 Ų14394.8 Ų94.866%0.66252%0.521SS*.  trans-79.8124.1173.2-170-67.3000109.6F102H100-F102 AromaticContact CE1-CD1 3.97Å; H100-F102 AromaticContact ND1-CD1 3.76Å; H100-F102 AromaticContact ND1-CE1 3.83Å
101V88.8Confident92.9Very high126 Ų12698.4 Ų98.476%0.76453%0.532SS*.  trans-90109.9171.9-177.10000108.3
102F90.1Very high93.1Very high141 Ų14198 Ų9862%0.61853%0.53SS*.  trans-73.4137.8171.9-65.9-74000110.2H100 D104H100-F102 AromaticContact CE1-CD1 3.97Å; H100-F102 AromaticContact ND1-CD1 3.76Å; H100-F102 AromaticContact ND1-CE1 3.83Å; F102-D104 PolarHBondContact O-N 3.31Å
103N92.2Very high93.4Very high116 Ų116101 Ų10162%0.6253%0.532SS*.  trans-63.2137.6173.9-89.1-26.6000110.1S105 N106N103-S105 PolarHBondContact O-N 3.05Å; N103-N106 VanDerWaalsContact O-CB 3.22Å; N103-N106 WeakPolarHBondContact O-CB 3.33Å; N103-N106 VanDerWaalsContact O-CG 3.32Å; N103-N106 PolarHBondContact O-N 3.15Å
104D91.8Very high93.5Very high88 Ų88104.9 Ų104.947%0.47155%0.547SS..G310 helixtrans-58-32.9178.9-175.171.4000111.5F102 N106 Y107 R125F102-D104 PolarHBondContact O-N 3.31Å; D104-N106 PolarHBondContact O-N 3.14Å; D104-Y107 VanDerWaalsContact O-CD2 3.24Å; D104-Y107 WeakPolarHBondContact O-CD2 3.32Å; D104-Y107 PolarHBondContact O-N 3.36Å; D104-Y107 VanDerWaalsContact O-N 3.12Å; D104-R125 PolarHBondContact O-NH1 2.9Å; D104-R125 PolarHBondContact O-NH2 3.41Å; D104-R125 IonicContact OD1-CZ 4Å; D104-R125 IonicContact OD1-NH1 3.43Å; D104-R125 PolarHBondContact OD1-NH1 3.46Å; D104-R125 IonicContact OD1-NH2 3.65Å; D104-R125 IonicContact OD2-CZ 2.83Å; D104-R125 IonicContact OD2-NH1 3.75Å; D104-R125 PolarHBondContact OD2-NH1 3.5Å; D104-R125 IonicContact OD2-NH2 2.86Å; D104-R125 PolarHBondContact OD2-NH2 3.08Å
105S92.2Very high93.5Very high67 Ų67103.1 Ų103.147%0.46952%0.522SS..G310 helixtrans-57.1-20.7174.955.50000114.3N103 Y107 D108N103-S105 PolarHBondContact O-N 3.05Å; S105-Y107 PolarHBondContact O-N 3.35Å; S105-D108 WeakPolarHBondContact O-CB 3.48Å; S105-D108 PolarHBondContact O-N 3.37Å
106N92.8Very high93.5Very high64 Ų64109.2 Ų109.234%0.34254%0.544SS..G310 helixtrans-62.5-28.2177.4-68.11.1000112.5N103 D104 D108 L109N103-N106 VanDerWaalsContact O-CB 3.22Å; N103-N106 WeakPolarHBondContact O-CB 3.33Å; N103-N106 VanDerWaalsContact O-CG 3.32Å; N103-N106 PolarHBondContact O-N 3.15Å; D104-N106 PolarHBondContact O-N 3.14Å; N106-D108 PolarHBondContact O-N 3.31Å; N106-L109 WeakPolarHBondContact O-CB 3.24Å; N106-L109 PolarHBondContact O-N 3.47Å
107Y93.5Very high93.6Very high78 Ų78109 Ų10931%0.30655%0.548SS..G310 helixtrans-67.8-19.9176.5-67.4-68.7000113.1D104 S105 L109 W110 K115 F121 R125D104-Y107 VanDerWaalsContact O-CD2 3.24Å; D104-Y107 WeakPolarHBondContact O-CD2 3.32Å; D104-Y107 PolarHBondContact O-N 3.36Å; D104-Y107 VanDerWaalsContact O-N 3.12Å; S105-Y107 PolarHBondContact O-N 3.35Å; Y107-L109 PolarHBondContact O-N 3.46Å; Y107-W110 HydrophobicContact CD1-CD2 4.21Å; Y107-W110 AromaticContact CD1-CE2 3.58Å; Y107-W110 HydrophobicContact CD1-CH2 4.24Å; Y107-W110 AromaticContact CD1-CZ2 3.61Å; Y107-W110 HydrophobicContact CD1-CZ2 3.61Å; Y107-W110 AromaticContact CD1-NE1 3.78Å; Y107-W110 HydrophobicContact CE1-CH2 4.11Å; Y107-W110 AromaticContact CE1-CZ2 3.56Å; Y107-W110 HydrophobicContact CE1-CZ2 3.56Å; Y107-W110 PolarHBondContact O-N 2.92Å; Y107-K115 WeakPolarHBondContact O-CE 3.34Å; Y107-F121 HydrophobicContact CD1-CE1 4.28Å; Y107-F121 HydrophobicContact CD2-CZ 4.46Å; Y107-F121 HydrophobicContact CE1-CE1 4.48Å; Y107-F121 HydrophobicContact CE2-CZ 4.36Å; Y107-F121 HydrophobicContact CG-CE1 4.37Å; Y107-R125 VanDerWaalsContact CB-CZ 3.47Å
108D93.3Very high93.8Very high60 Ų60110.9 Ų110.932%0.32153%0.534SS..G310 helixtrans-72-26.4177.5-66.2-9.7000110.9S105 N106 W110 K115 R125 K129S105-D108 WeakPolarHBondContact O-CB 3.48Å; S105-D108 PolarHBondContact O-N 3.37Å; N106-D108 PolarHBondContact O-N 3.31Å; D108-W110 VanDerWaalsContact C-N 3.29Å; D108-W110 PolarHBondContact O-N 3.37Å; D108-K115 PolarHBondContact O-NZ 3.1Å; D108-R125 IonicContact OD1-CZ 3.89Å; D108-R125 IonicContact OD1-NE 3.06Å; D108-R125 PolarHBondContact OD1-NE 3.34Å; D108-R125 VanDerWaalsContact OD1-NE 3.17Å; D108-R125 IonicContact OD1-NH2 3.98Å; D108-R125 PolarHBondContact OD1-NH2 3.36Å; D108-K129 IonicContact OD1-NZ 3.84Å; D108-K129 PolarHBondContact OD1-NZ 3.26Å; D108-K129 IonicContact OD2-NZ 3.68Å; D108-K129 PolarHBondContact OD2-NZ 3.46Å
109L94.7Very high93.8Very high147 Ų147105.8 Ų105.877%0.7753%0.526SS*.G310 helixtrans-75.9-11.3177.7-58.9171.3000114N106 Y107N106-L109 WeakPolarHBondContact O-CB 3.24Å; N106-L109 PolarHBondContact O-N 3.47Å; Y107-L109 PolarHBondContact O-N 3.46Å
110W95.1Very high94Very high90 Ų90103.2 Ų103.234%0.34152%0.517SS..SBendtrans-63.6144-178-74.228000111.8Y107 D108 E114 K115 Y118 F122Y107-W110 HydrophobicContact CD1-CD2 4.21Å; Y107-W110 AromaticContact CD1-CE2 3.58Å; Y107-W110 HydrophobicContact CD1-CH2 4.24Å; Y107-W110 AromaticContact CD1-CZ2 3.61Å; Y107-W110 HydrophobicContact CD1-CZ2 3.61Å; Y107-W110 AromaticContact CD1-NE1 3.78Å; Y107-W110 HydrophobicContact CE1-CH2 4.11Å; Y107-W110 AromaticContact CE1-CZ2 3.56Å; Y107-W110 HydrophobicContact CE1-CZ2 3.56Å; Y107-W110 PolarHBondContact O-N 2.92Å; D108-W110 VanDerWaalsContact C-N 3.29Å; D108-W110 PolarHBondContact O-N 3.37Å; W110-E114 HydrophobicContact CE3-CB 3.96Å; W110-K115 HydrophobicContact CB-CD 4.48Å; W110-K115 HydrophobicContact CB-CG 3.88Å; W110-K115 WeakPolarHBondContact O-CE 3.24Å; W110-Y118 HydrophobicContact CH2-CE2 4.44Å; W110-Y118 AromaticContact CZ3-CD2 3.95Å; W110-Y118 HydrophobicContact CZ3-CD2 3.95Å; W110-Y118 AromaticContact CZ3-CE2 3.91Å; W110-Y118 HydrophobicContact CZ3-CE2 3.91Å; W110-F122 HydrophobicContact CD2-CZ 4.21Å; W110-F122 HydrophobicContact CE3-CE2 4.15Å; W110-F122 AromaticContact CE3-CZ 3.76Å; W110-F122 HydrophobicContact CE3-CZ 3.76Å; W110-F122 HydrophobicContact CZ3-CE2 4.4Å; W110-F122 HydrophobicContact CZ3-CZ 4.28Å
111H96.7Very high94.5Very high103 Ų10399.4 Ų99.448%0.47750%0.499SS..  trans-66.2143.6177.2-173.4-99.9000109.9L113 E114 K115H111-L113 WeakPolarHBondContact ND1-CB 3.26Å; H111-L113 PolarHBondContact ND1-N 3.14Å; H111-L113 PolarHBondContact O-N 3.25Å; H111-E114 HydrophobicContact CB-CG 4.18Å; H111-E114 PolarHBondContact N-OE2 3.21Å; H111-E114 WeakPolarHBondContact O-CB 3.4Å; H111-E114 PolarHBondContact O-N 3.4Å; H111-K115 PolarHBondContact O-N 3.12Å; H111-K115 VanDerWaalsContact O-N 3.08Å
112P95.9Very high94.9Very high81 Ų8194.3 Ų94.353%0.52647%0.467SS..Hα-helixtrans-54-30.7-178.9-30.136.7000114.7K115 K116P112-K115 PolarHBondContact O-N 3.4Å; P112-K116 WeakPolarHBondContact O-CG 3.38Å; P112-K116 PolarHBondContact O-N 3.37Å; P112-K116 VanDerWaalsContact O-N 3.1Å
113L96Very high95.2Very high117 Ų11790.7 Ų90.761%0.61346%0.463SS*.Hα-helixtrans-67.2-37.7174.8-63.9175.3000112.8H111 K116H111-L113 WeakPolarHBondContact ND1-CB 3.26Å; H111-L113 PolarHBondContact ND1-N 3.14Å; H111-L113 PolarHBondContact O-N 3.25Å; L113-K116 HydrophobicContact CD2-CD 4.49Å; L113-K116 PolarHBondContact O-N 3.08Å
114E95.9Very high95.4Very high96 Ų9692.6 Ų92.645%0.44946%0.461SS..Hα-helixtrans-69.4-38.4175.7-59.7169.7159.700110.4W110 H111 K116 Q117W110-E114 HydrophobicContact CE3-CB 3.96Å; H111-E114 HydrophobicContact CB-CG 4.18Å; H111-E114 PolarHBondContact N-OE2 3.21Å; H111-E114 WeakPolarHBondContact O-CB 3.4Å; H111-E114 PolarHBondContact O-N 3.4Å; E114-K116 VanDerWaalsContact C-N 3.28Å; E114-K116 PolarHBondContact O-N 3.44Å; E114-Q117 VanDerWaalsContact O-CB 3.26Å; E114-Q117 WeakPolarHBondContact O-CB 3.39Å; E114-Q117 PolarHBondContact O-N 3.2Å; E114-Q117 VanDerWaalsContact O-N 3.12Å
115K95.7Very high95.6Very high55 Ų5588.5 Ų88.524%0.23944%0.439CS..Hα-helixtrans-62-36.9175.8-61.8-171.3177.2167.40112.2Y107 D108 W110 H111 P112 Q117 Y118 F122Y107-K115 WeakPolarHBondContact O-CE 3.34Å; D108-K115 PolarHBondContact O-NZ 3.1Å; W110-K115 HydrophobicContact CB-CD 4.48Å; W110-K115 HydrophobicContact CB-CG 3.88Å; W110-K115 WeakPolarHBondContact O-CE 3.24Å; H111-K115 PolarHBondContact O-N 3.12Å; H111-K115 VanDerWaalsContact O-N 3.08Å; P112-K115 PolarHBondContact O-N 3.4Å; K115-Q117 PolarHBondContact O-N 3.29Å; K115-Y118 CarbonylContact O-C 3.43Å; K115-Y118 PolarHBondContact O-N 3.46Å; K115-F122 VanDerWaalsContact CA-CE2 3.47Å; K115-F122 HydrophobicContact CB-CD1 4.36Å; K115-F122 HydrophobicContact CB-CD2 3.8Å; K115-F122 HydrophobicContact CB-CE1 4.35Å; K115-F122 HydrophobicContact CB-CE2 3.82Å; K115-F122 HydrophobicContact CB-CG 4.1Å; K115-F122 HydrophobicContact CB-CZ 4.11Å; K115-F122 HydrophobicContact CD-CD1 3.99Å; K115-F122 HydrophobicContact CD-CE1 3.85Å; K115-F122 HydrophobicContact CD-CZ 4.3Å; K115-F122 HydrophobicContact CG-CD1 4.09Å; K115-F122 HydrophobicContact CG-CD2 4.22Å; K115-F122 HydrophobicContact CG-CE1 3.72Å; K115-F122 HydrophobicContact CG-CE2 3.89Å; K115-F122 HydrophobicContact CG-CG 4.34Å; K115-F122 HydrophobicContact CG-CZ 3.63Å; K115-F122 VanDerWaalsContact O-CD2 3.27Å; K115-F122 WeakPolarHBondContact O-CD2 3.45Å
116K95.4Very high95.7Very high155 Ų15589.8 Ų89.867%0.67444%0.438SS*.THydrogen-bonded Turntrans-62.9-20.2176.9-76.8177.7-177-174.70113.6P112 L113 E114 Y118P112-K116 WeakPolarHBondContact O-CG 3.38Å; P112-K116 PolarHBondContact O-N 3.37Å; P112-K116 VanDerWaalsContact O-N 3.1Å; L113-K116 HydrophobicContact CD2-CD 4.49Å; L113-K116 PolarHBondContact O-N 3.08Å; E114-K116 VanDerWaalsContact C-N 3.28Å; E114-K116 PolarHBondContact O-N 3.44Å; K116-Y118 PolarHBondContact O-N 3.49Å
117Q97Very high95.9Very high135 Ų13593.5 Ų93.563%0.63145%0.451SS*.THydrogen-bonded Turntrans-68.4-23.9174.4-169.7175.5-0.300112.3E114 K115E114-Q117 VanDerWaalsContact O-CB 3.26Å; E114-Q117 WeakPolarHBondContact O-CB 3.39Å; E114-Q117 PolarHBondContact O-N 3.2Å; E114-Q117 VanDerWaalsContact O-N 3.12Å; K115-Q117 PolarHBondContact O-N 3.29Å
118Y97Very high96.1Very high108 Ų10895.9 Ų95.942%0.42446%0.459SS..SBendtrans-129.560.3-175.9-52-77.7000112.2W110 K115 K116 D120 F121 F122W110-Y118 HydrophobicContact CH2-CE2 4.44Å; W110-Y118 AromaticContact CZ3-CD2 3.95Å; W110-Y118 HydrophobicContact CZ3-CD2 3.95Å; W110-Y118 AromaticContact CZ3-CE2 3.91Å; W110-Y118 HydrophobicContact CZ3-CE2 3.91Å; K115-Y118 CarbonylContact O-C 3.43Å; K115-Y118 PolarHBondContact O-N 3.46Å; K116-Y118 PolarHBondContact O-N 3.49Å; Y118-D120 PolarHBondContact O-N 2.97Å; Y118-F121 PolarHBondContact O-N 2.72Å; Y118-F121 VanDerWaalsContact O-N 3.14Å; Y118-F122 HydrophobicContact CD2-CE2 4.48Å; Y118-F122 WeakPolarHBondContact O-CD2 3.22Å; Y118-F122 PolarHBondContact O-N 3.12Å; Y118-F122 VanDerWaalsContact O-N 3.15Å
119P96.3Very high96.2Very high80 Ų8096.3 Ų96.352%0.51946%0.458SS..Hα-helixtrans-59.4-44.5-169.424.3-33.3000112.7F121 F122 A123P119-F121 VanDerWaalsContact C-N 3.3Å; P119-F121 PolarHBondContact O-N 3.03Å; P119-F122 PolarHBondContact O-N 3.18Å; P119-A123 WeakPolarHBondContact O-CB 3.47Å; P119-A123 PolarHBondContact O-N 3.25Å
120D97.5Very high96.3Very high118 Ų11895.5 Ų95.563%0.63145%0.449SS*.Hα-helixtrans-68.4-28.9-178.9-61.4-23.2000113.2Y118 R124Y118-D120 PolarHBondContact O-N 2.97Å; D120-R124 WeakPolarHBondContact O-CB 3.27Å; D120-R124 VanDerWaalsContact O-CG 3.32Å; D120-R124 WeakPolarHBondContact O-CG 3.17Å; D120-R124 PolarHBondContact O-N 2.98Å; D120-R124 PolarHBondContact O-NE 3.07Å
121F96.8Very high96.4Very high63 Ų6395.5 Ų95.528%0.27645%0.452SS..Hα-helixtrans-70.1-50.9175.4173.6-99.2000110.2Y107 Y118 P119 R124 R125Y107-F121 HydrophobicContact CD1-CE1 4.28Å; Y107-F121 HydrophobicContact CD2-CZ 4.46Å; Y107-F121 HydrophobicContact CE1-CE1 4.48Å; Y107-F121 HydrophobicContact CE2-CZ 4.36Å; Y107-F121 HydrophobicContact CG-CE1 4.37Å; Y118-F121 PolarHBondContact O-N 2.72Å; Y118-F121 VanDerWaalsContact O-N 3.14Å; P119-F121 VanDerWaalsContact C-N 3.3Å; P119-F121 PolarHBondContact O-N 3.03Å; F121-R124 PolarHBondContact O-N 3.17Å; F121-R125 WeakPolarHBondContact O-CB 3.36Å; F121-R125 PolarHBondContact O-N 2.95Å
122F97.2Very high96.3Very high19 Ų1997.2 Ų97.28%0.08346%0.459CS..Hα-helixtrans-68-37.1-178.7-76.2-76.7000112.5W110 K115 Y118 P119 R124 R125 E126W110-F122 HydrophobicContact CD2-CZ 4.21Å; W110-F122 HydrophobicContact CE3-CE2 4.15Å; W110-F122 AromaticContact CE3-CZ 3.76Å; W110-F122 HydrophobicContact CE3-CZ 3.76Å; W110-F122 HydrophobicContact CZ3-CE2 4.4Å; W110-F122 HydrophobicContact CZ3-CZ 4.28Å; K115-F122 VanDerWaalsContact CA-CE2 3.47Å; K115-F122 HydrophobicContact CB-CD1 4.36Å; K115-F122 HydrophobicContact CB-CD2 3.8Å; K115-F122 HydrophobicContact CB-CE1 4.35Å; K115-F122 HydrophobicContact CB-CE2 3.82Å; K115-F122 HydrophobicContact CB-CG 4.1Å; K115-F122 HydrophobicContact CB-CZ 4.11Å; K115-F122 HydrophobicContact CD-CD1 3.99Å; K115-F122 HydrophobicContact CD-CE1 3.85Å; K115-F122 HydrophobicContact CD-CZ 4.3Å; K115-F122 HydrophobicContact CG-CD1 4.09Å; K115-F122 HydrophobicContact CG-CD2 4.22Å; K115-F122 HydrophobicContact CG-CE1 3.72Å; K115-F122 HydrophobicContact CG-CE2 3.89Å; K115-F122 HydrophobicContact CG-CG 4.34Å; K115-F122 HydrophobicContact CG-CZ 3.63Å; K115-F122 VanDerWaalsContact O-CD2 3.27Å; K115-F122 WeakPolarHBondContact O-CD2 3.45Å; Y118-F122 HydrophobicContact CD2-CE2 4.48Å; Y118-F122 WeakPolarHBondContact O-CD2 3.22Å; Y118-F122 PolarHBondContact O-N 3.12Å; Y118-F122 VanDerWaalsContact O-N 3.15Å; P119-F122 PolarHBondContact O-N 3.18Å; F122-R124 PolarHBondContact O-N 2.73Å; F122-R125 WeakPolarHBondContact O-CB 3.47Å; F122-R125 PolarHBondContact O-N 3.23Å; F122-E126 WeakPolarHBondContact O-CG 3.44Å; F122-E126 PolarHBondContact O-N 2.74Å
123A96.1Very high96.2Very high65 Ų6599.4 Ų99.454%0.53746%0.463SS..Hα-helixtrans-60.4-44.9174.200000112.4P119 K127P119-A123 WeakPolarHBondContact O-CB 3.47Å; P119-A123 PolarHBondContact O-N 3.25Å; A123-K127 PolarHBondContact O-N 2.92Å
124R96.8Very high96.2Very high155 Ų15599 Ų9959%0.58546%0.459SS*.Hα-helixtrans-67.7-37.1175.9-73.5-177.8-68.7168.8-3.9112.3D120 F121 F122 K127 R128D120-R124 WeakPolarHBondContact O-CB 3.27Å; D120-R124 VanDerWaalsContact O-CG 3.32Å; D120-R124 WeakPolarHBondContact O-CG 3.17Å; D120-R124 PolarHBondContact O-N 2.98Å; D120-R124 PolarHBondContact O-NE 3.07Å; F121-R124 PolarHBondContact O-N 3.17Å; F122-R124 PolarHBondContact O-N 2.73Å; R124-K127 PolarHBondContact O-N 3.21Å; R124-R128 PolarHBondContact O-N 3.36Å; R124-R128 VanDerWaalsContact O-N 3.14Å
125R95.7Very high96.1Very high3 Ų397.2 Ų97.21%0.01146%0.46CS..Hα-helixtrans-60.9-48177-180-168-179.367.322.4111.5D104 Y107 D108 F121 F122 K127 R128 K129D104-R125 PolarHBondContact O-NH1 2.9Å; D104-R125 PolarHBondContact O-NH2 3.41Å; D104-R125 IonicContact OD1-CZ 4Å; D104-R125 IonicContact OD1-NH1 3.43Å; D104-R125 PolarHBondContact OD1-NH1 3.46Å; D104-R125 IonicContact OD1-NH2 3.65Å; D104-R125 IonicContact OD2-CZ 2.83Å; D104-R125 IonicContact OD2-NH1 3.75Å; D104-R125 PolarHBondContact OD2-NH1 3.5Å; D104-R125 IonicContact OD2-NH2 2.86Å; D104-R125 PolarHBondContact OD2-NH2 3.08Å; Y107-R125 VanDerWaalsContact CB-CZ 3.47Å; D108-R125 IonicContact OD1-CZ 3.89Å; D108-R125 IonicContact OD1-NE 3.06Å; D108-R125 PolarHBondContact OD1-NE 3.34Å; D108-R125 VanDerWaalsContact OD1-NE 3.17Å; D108-R125 IonicContact OD1-NH2 3.98Å; D108-R125 PolarHBondContact OD1-NH2 3.36Å; F121-R125 WeakPolarHBondContact O-CB 3.36Å; F121-R125 PolarHBondContact O-N 2.95Å; F122-R125 WeakPolarHBondContact O-CB 3.47Å; F122-R125 PolarHBondContact O-N 3.23Å; R125-K127 VanDerWaalsContact C-N 3.28Å; R125-K127 PolarHBondContact O-N 3.09Å; R125-R128 PolarHBondContact O-N 2.92Å; R125-R128 VanDerWaalsContact O-N 3.08Å; R125-K129 HydrophobicContact CG-CD 4.35Å; R125-K129 PolarHBondContact O-N 3.32Å
126E95.2Very high96.1Very high93 Ų93100.7 Ų100.744%0.43547%0.471SS..Hα-helixtrans-62-36.9179.4-69.8-52.513400112.1F122 R128 K129 K130F122-E126 WeakPolarHBondContact O-CG 3.44Å; F122-E126 PolarHBondContact O-N 2.74Å; E126-R128 PolarHBondContact O-N 3.39Å; E126-K129 PolarHBondContact O-N 3.47Å; E126-K129 IonicContact OE1-NZ 3.17Å; E126-K129 IonicContact OE2-NZ 2.79Å; E126-K130 PolarHBondContact O-N 3.35Å
127K97Very high96Very high142 Ų14296.7 Ų96.762%0.61746%0.46SS*.Hα-helixtrans-58.9-47.9171.2-171.6180176.4-175.60111.9A123 R124 R125 K129 K130 E131A123-K127 PolarHBondContact O-N 2.92Å; R124-K127 PolarHBondContact O-N 3.21Å; R125-K127 VanDerWaalsContact C-N 3.28Å; R125-K127 PolarHBondContact O-N 3.09Å; K127-K129 PolarHBondContact O-N 2.95Å; K127-K130 WeakPolarHBondContact O-CB 3.42Å; K127-K130 PolarHBondContact O-N 3.07Å; K127-E131 VanDerWaalsContact CE-OE1 3.24Å; K127-E131 WeakPolarHBondContact CE-OE1 3.46Å; K127-E131 WeakPolarHBondContact O-CG 3.47Å; K127-E131 PolarHBondContact O-N 3.36Å
128R96.6Very high96Very high128 Ų12899.5 Ų99.548%0.48347%0.47SS..Hα-helixtrans-64.9-35.8178.1-70.6-170.8-62.8-129.70.8113.2R124 R125 E126 K130 E131 F132R124-R128 PolarHBondContact O-N 3.36Å; R124-R128 VanDerWaalsContact O-N 3.14Å; R125-R128 PolarHBondContact O-N 2.92Å; R125-R128 VanDerWaalsContact O-N 3.08Å; E126-R128 PolarHBondContact O-N 3.39Å; R128-K130 VanDerWaalsContact C-N 3.32Å; R128-E131 PolarHBondContact O-N 3Å; R128-F132 WeakPolarHBondContact O-CB 3.35Å; R128-F132 PolarHBondContact O-N 3.14Å
129K95.9Very high95.9Very high69 Ų69103.4 Ų103.430%0.348%0.484SS..Hα-helixtrans-61.9-43.1174.4-75.2176.762.7174.40110.9D108 R125 E126 K127 F132 M133D108-K129 IonicContact OD1-NZ 3.84Å; D108-K129 PolarHBondContact OD1-NZ 3.26Å; D108-K129 IonicContact OD2-NZ 3.68Å; D108-K129 PolarHBondContact OD2-NZ 3.46Å; R125-K129 HydrophobicContact CG-CD 4.35Å; R125-K129 PolarHBondContact O-N 3.32Å; E126-K129 PolarHBondContact O-N 3.47Å; E126-K129 IonicContact OE1-NZ 3.17Å; E126-K129 IonicContact OE2-NZ 2.79Å; K127-K129 PolarHBondContact O-N 2.95Å; K129-F132 PolarHBondContact O-N 2.97Å; K129-M133 WeakPolarHBondContact O-CG 3.35Å; K129-M133 PolarHBondContact O-N 2.87Å; K129-M133 VanDerWaalsContact O-N 3.09Å
130K96Very high95.7Very high131 Ų131105.7 Ų105.757%0.5748%0.483SS*.Hα-helixtrans-62.6-47.9175.2-168.4-178.7179.3-172.20111.8E126 K127 R128 F132 M133 E134E126-K130 PolarHBondContact O-N 3.35Å; K127-K130 WeakPolarHBondContact O-CB 3.42Å; K127-K130 PolarHBondContact O-N 3.07Å; R128-K130 VanDerWaalsContact C-N 3.32Å; K130-F132 VanDerWaalsContact C-N 3.27Å; K130-F132 PolarHBondContact O-N 3.46Å; K130-M133 PolarHBondContact O-N 2.89Å; K130-M133 VanDerWaalsContact O-N 3.14Å; K130-E134 WeakPolarHBondContact CE-OE1 3.33Å; K130-E134 WeakPolarHBondContact O-CG 3.36Å; K130-E134 PolarHBondContact O-N 2.98Å
131E97Very high95.3Very high90 Ų90101.3 Ų101.342%0.42147%0.465SS..Hα-helixtrans-57-40.7176.3-70.3167-178.600111.9K127 R128 E134 A135K127-E131 VanDerWaalsContact CE-OE1 3.24Å; K127-E131 WeakPolarHBondContact CE-OE1 3.46Å; K127-E131 WeakPolarHBondContact O-CG 3.47Å; K127-E131 PolarHBondContact O-N 3.36Å; R128-E131 PolarHBondContact O-N 3Å; E131-E134 PolarHBondContact O-N 3.49Å; E131-A135 WeakPolarHBondContact O-CB 3.43Å; E131-A135 PolarHBondContact O-N 3.07Å
132F94.8Very high94.8Very high139 Ų139103.1 Ų103.161%0.6148%0.483SS*.Hα-helixtrans-62.9-45.3176179.4-93.8000112.1R128 K129 K130 A135 W136R128-F132 WeakPolarHBondContact O-CB 3.35Å; R128-F132 PolarHBondContact O-N 3.14Å; K129-F132 PolarHBondContact O-N 2.97Å; K130-F132 VanDerWaalsContact C-N 3.27Å; K130-F132 PolarHBondContact O-N 3.46Å; F132-A135 PolarHBondContact O-N 2.93Å; F132-W136 HydrophobicContact CZ-CE3 4.27Å; F132-W136 WeakPolarHBondContact O-CB 3.19Å; F132-W136 PolarHBondContact O-N 2.89Å
133M93.6Very high93.9Very high126 Ų126109.7 Ų109.762%0.62151%0.514SS*.Hα-helixtrans-64.7-41.3178-67.1-150-65.200112.1K129 K130 W136 V137K129-M133 WeakPolarHBondContact O-CG 3.35Å; K129-M133 PolarHBondContact O-N 2.87Å; K129-M133 VanDerWaalsContact O-N 3.09Å; K130-M133 PolarHBondContact O-N 2.89Å; K130-M133 VanDerWaalsContact O-N 3.14Å; M133-W136 WeakPolarHBondContact O-CB 3.46Å; M133-W136 PolarHBondContact O-N 3.06Å; M133-V137 WeakPolarHBondContact O-CG2 3.39Å; M133-V137 PolarHBondContact O-N 3.28Å
134E96.1Very high93Very high110 Ų110115.6 Ų115.651%0.51453%0.528SS..Hα-helixtrans-61.6-44.8175.3-70.4172.4-174.600111.4K130 E131 W136 V137 K138K130-E134 WeakPolarHBondContact CE-OE1 3.33Å; K130-E134 WeakPolarHBondContact O-CG 3.36Å; K130-E134 PolarHBondContact O-N 2.98Å; E131-E134 PolarHBondContact O-N 3.49Å; E134-W136 VanDerWaalsContact C-N 3.32Å; E134-W136 PolarHBondContact O-N 2.79Å; E134-V137 PolarHBondContact O-N 3.03Å; E134-K138 WeakPolarHBondContact O-CB 3.1Å; E134-K138 PolarHBondContact O-N 3.44Å
135A95.5Very high91.6Very high57 Ų57116.8 Ų116.847%0.47154%0.54SS..Hα-helixtrans-64.1-36.9175.900000112.4E131 F132 R139E131-A135 WeakPolarHBondContact O-CB 3.43Å; E131-A135 PolarHBondContact O-N 3.07Å; F132-A135 PolarHBondContact O-N 2.93Å; A135-R139 WeakPolarHBondContact O-CB 3.19Å; A135-R139 PolarHBondContact O-N 3.41Å; A135-R139 VanDerWaalsContact O-N 3.07Å
136W94.1Very high90.2Very high129 Ų129123.7 Ų123.749%0.48957%0.57SS.*Hα-helixtrans-63.6-52.9176.3-177.6-91.2000111.6F132 M133 E134 K138 R139 Y140F132-W136 HydrophobicContact CZ-CE3 4.27Å; F132-W136 WeakPolarHBondContact O-CB 3.19Å; F132-W136 PolarHBondContact O-N 2.89Å; M133-W136 WeakPolarHBondContact O-CB 3.46Å; M133-W136 PolarHBondContact O-N 3.06Å; E134-W136 VanDerWaalsContact C-N 3.32Å; E134-W136 PolarHBondContact O-N 2.79Å; W136-K138 VanDerWaalsContact C-N 3.26Å; W136-K138 PolarHBondContact O-N 2.95Å; W136-R139 PolarHBondContact O-N 3.33Å; W136-R139 VanDerWaalsContact O-N 3.07Å; W136-Y140 AromaticContact CD2-CD2 3.7Å; W136-Y140 HydrophobicContact CD2-CD2 3.7Å; W136-Y140 HydrophobicContact CD2-CE2 4.18Å; W136-Y140 AromaticContact CE2-CD2 3.83Å; W136-Y140 AromaticContact CE3-CD2 3.74Å; W136-Y140 HydrophobicContact CE3-CD2 3.74Å; W136-Y140 AromaticContact CE3-CE2 3.71Å; W136-Y140 HydrophobicContact CE3-CE2 3.71Å; W136-Y140 HydrophobicContact CG-CD2 4.31Å; W136-Y140 HydrophobicContact CH2-CD2 4.04Å; W136-Y140 AromaticContact CH2-CE2 3.97Å; W136-Y140 HydrophobicContact CH2-CE2 3.97Å; W136-Y140 HydrophobicContact CZ2-CD2 4Å; W136-Y140 HydrophobicContact CZ2-CE2 4.4Å; W136-Y140 AromaticContact CZ3-CD2 3.91Å; W136-Y140 HydrophobicContact CZ3-CD2 3.91Å; W136-Y140 AromaticContact CZ3-CE2 3.6Å; W136-Y140 HydrophobicContact CZ3-CE2 3.6Å; W136-Y140 PolarHBondContact O-N 2.92Å
137V94.6Very high88.4Confident71 Ų71126.2 Ų126.243%0.4359%0.592SS.*Hα-helixtrans-60.1-38.8178.2172.80000110.9M133 E134 R139 G141 P142M133-V137 WeakPolarHBondContact O-CG2 3.39Å; M133-V137 PolarHBondContact O-N 3.28Å; E134-V137 PolarHBondContact O-N 3.03Å; V137-R139 VanDerWaalsContact C-N 3.35Å; V137-R139 PolarHBondContact O-N 2.86Å; V137-G141 CarbonylContact O-C 3.17Å; V137-G141 WeakPolarHBondContact O-CA 3.38Å; V137-G141 PolarHBondContact O-N 3.17Å; V137-P142 HydrophobicContact CG1-CB 4.47Å
138K95.3Very high86.5Confident193 Ų193131.1 Ų131.184%0.83961%0.614SS**Hα-helixtrans-63.2-38.3175.6-176177.6179.9178.60113E134 W136E134-K138 WeakPolarHBondContact O-CB 3.1Å; E134-K138 PolarHBondContact O-N 3.44Å; W136-K138 VanDerWaalsContact C-N 3.26Å; W136-K138 PolarHBondContact O-N 2.95Å
139R95.8Very high86Confident190 Ų190131.3 Ų131.372%0.71762%0.62SS**Hα-helixtrans-83.9-37.1-175.1-173.7173.4-178.5-169.40.6113.2A135 W136 V137A135-R139 WeakPolarHBondContact O-CB 3.19Å; A135-R139 PolarHBondContact O-N 3.41Å; A135-R139 VanDerWaalsContact O-N 3.07Å; W136-R139 PolarHBondContact O-N 3.33Å; W136-R139 VanDerWaalsContact O-N 3.07Å; V137-R139 VanDerWaalsContact C-N 3.35Å; V137-R139 PolarHBondContact O-N 2.86Å
140Y92.4Very high85.5Confident129 Ų129134.6 Ų134.651%0.50664%0.637SS.*Hα-helixtrans-118-5.3-170.7-60.1-70.2000114W136W136-Y140 AromaticContact CD2-CD2 3.7Å; W136-Y140 HydrophobicContact CD2-CD2 3.7Å; W136-Y140 HydrophobicContact CD2-CE2 4.18Å; W136-Y140 AromaticContact CE2-CD2 3.83Å; W136-Y140 AromaticContact CE3-CD2 3.74Å; W136-Y140 HydrophobicContact CE3-CD2 3.74Å; W136-Y140 AromaticContact CE3-CE2 3.71Å; W136-Y140 HydrophobicContact CE3-CE2 3.71Å; W136-Y140 HydrophobicContact CG-CD2 4.31Å; W136-Y140 HydrophobicContact CH2-CD2 4.04Å; W136-Y140 AromaticContact CH2-CE2 3.97Å; W136-Y140 HydrophobicContact CH2-CE2 3.97Å; W136-Y140 HydrophobicContact CZ2-CD2 4Å; W136-Y140 HydrophobicContact CZ2-CE2 4.4Å; W136-Y140 AromaticContact CZ3-CD2 3.91Å; W136-Y140 HydrophobicContact CZ3-CD2 3.91Å; W136-Y140 AromaticContact CZ3-CE2 3.6Å; W136-Y140 HydrophobicContact CZ3-CE2 3.6Å; W136-Y140 PolarHBondContact O-N 2.92Å
141G88.5Confident84.9Confident25 Ų25134.8 Ų134.826%0.25864%0.641SS.*  trans84.4170.6-170.500000112.4V137V137-G141 CarbonylContact O-C 3.17Å; V137-G141 WeakPolarHBondContact O-CA 3.38Å; V137-G141 PolarHBondContact O-N 3.17Å
142P85.9Confident84.2Confident101 Ų101137.4 Ų137.466%0.65665%0.654SS**SBendtrans-63.3147.8173.127.3-32.9000110.4V137 K144V137-P142 HydrophobicContact CG1-CB 4.47Å; P142-K144 PolarHBondContact O-N 3.16Å; P142-K144 VanDerWaalsContact O-N 3.12Å
143E79.2Confident83.5Confident157 Ų157137.3 Ų137.373%0.73466%0.657SS**PPolyproline II helixtrans-58.7119.3174.9-166.1170.7-177.100108.4E145E143-E145 PolarHBondContact O-N 3.45Å
144K76.2Confident82.8Confident189 Ų189138.1 Ų138.182%0.82266%0.659SS**PPolyproline II helixtrans-66133.7174-64.2-174.8-179.3-1780107.2P142 K146P142-K144 PolarHBondContact O-N 3.16Å; P142-K144 VanDerWaalsContact O-N 3.12Å; K144-K146 PolarHBondContact O-N 3.06Å; K144-K146 VanDerWaalsContact O-N 3.16Å
145E67.8Low81.9Confident181 Ų181140.1 Ų140.185%0.84667%0.669SS**PPolyproline II helixtrans-47.6126.4173.2-86.1-179.3155.800109.2E143 V147E143-E145 PolarHBondContact O-N 3.45Å; E145-V147 PolarHBondContact O-N 3.12Å
146K66.3Low80.8Confident147 Ų147146.5 Ų146.564%0.63969%0.685SS**  trans-63.4103.1173.8-72.2-178.4-178.7174.10107K144 F148K144-K146 PolarHBondContact O-N 3.06Å; K144-K146 VanDerWaalsContact O-N 3.16Å; K146-F148 HydrophobicContact CB-CD2 3.78Å; K146-F148 HydrophobicContact CB-CE2 3.51Å; K146-F148 HydrophobicContact CB-CZ 4.35Å; K146-F148 HydrophobicContact CD-CE2 3.79Å; K146-F148 HydrophobicContact CD-CZ 4.01Å; K146-F148 HydrophobicContact CG-CE2 4.3Å; K146-F148 WeakPolarHBondContact O-CD2 3.47Å; K146-F148 PolarHBondContact O-N 2.9Å
147V57.7Low79.7Confident147 Ų147147.9 Ų147.989%0.89170%0.701SS**  trans-69.6101.7167.2-174.70000105.9E145E145-V147 PolarHBondContact O-N 3.12Å
148F57.3Low78.4Confident245 Ų245154.9 Ų154.9100%1.07573%0.726SS**  trans-88.30170.9-81.2-82.2000110.2K146K146-F148 HydrophobicContact CB-CD2 3.78Å; K146-F148 HydrophobicContact CB-CE2 3.51Å; K146-F148 HydrophobicContact CB-CZ 4.35Å; K146-F148 HydrophobicContact CD-CE2 3.79Å; K146-F148 HydrophobicContact CD-CZ 4.01Å; K146-F148 HydrophobicContact CG-CE2 4.3Å; K146-F148 WeakPolarHBondContact O-CD2 3.47Å; K146-F148 PolarHBondContact O-N 2.9Å

Retrieved 148 of 148 residues in 27.7 ms (Link to these results)

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