A0A096MQY6_PAPAN Loading...

Oligosaccharyltransferase complex subunit

Subunit of STT3A-containing oligosaccharyl transferase (OST-A) complex that catalyzes the initial transfer of a defined glycan (Glc(3)Man(9)GlcNAc(2) in eukaryotes) from the lipid carrier dolichol-pyrophosphate to an asparagine residue within an Asn-X-Ser/Thr consensus motif in nascent polypeptide chains, the first step in protein N-glycosylation. N-glycosylation occurs cotranslationally and the complex associates with the Sec61 complex at the channel-forming translocon complex that mediates protein translocation across the endoplasmic reticulum (ER). Within the OST-A complex, acts as an adapter that anchors the OST-A complex to the Sec61 complex. May be involved in N-glycosylation of APP (amyloid-beta precursor protein). Can modulate gamma-secretase cleavage of APP by enhancing endoprotelysis of PSEN1.

AlphaFold DB (Q9NRP0), UniProt , Accession A0A096MQY6, Species PAPAN (Papio anubis, Olive baboon), Gene OSTC, Length 149 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
1M63.9Low75.8Confident187 Ų187138.8 Ų138.892%0.92169%0.69SS**  0-43.40-73.4-164.9177.300112T3 L4 Y5M1-T3 VanDerWaalsContact C-N 3.25Å; M1-T3 PolarHBondContact O-N 3.15Å; M1-L4 PolarHBondContact O-N 3.1Å; M1-Y5 WeakPolarHBondContact O-CD2 3.21Å
2E76.6Confident75.5Confident168 Ų168136.1 Ų136.179%0.78568%0.678SS**Hα-helixtrans-54.9-35.4178-62.3-176.7166.200114.6L4 Y5 R6E2-L4 VanDerWaalsContact C-N 3.35Å; E2-L4 PolarHBondContact O-N 3.18Å; E2-Y5 PolarHBondContact O-N 2.94Å; E2-R6 PolarHBondContact O-N 2.92Å
3T78.4Confident75.1Confident115 Ų115139.2 Ų139.271%0.70669%0.69SS**Hα-helixtrans-63.6-37.4179.9-11.70000113M1 R6M1-T3 VanDerWaalsContact C-N 3.25Å; M1-T3 PolarHBondContact O-N 3.15Å; T3-R6 PolarHBondContact O-N 3.34Å
4L78.8Confident74.6Confident136 Ų136137.6 Ų137.671%0.71270%0.697SS**Hα-helixtrans-68.9-36.6178.5-80.5164.7000111.7M1 E2 R6 V7M1-L4 PolarHBondContact O-N 3.1Å; E2-L4 VanDerWaalsContact C-N 3.35Å; E2-L4 PolarHBondContact O-N 3.18Å; L4-R6 VanDerWaalsContact C-N 3.27Å; L4-R6 PolarHBondContact O-N 3.07Å; L4-V7 PolarHBondContact O-N 3.46Å
5Y77.6Confident74.1Confident169 Ų169135 Ų13566%0.66369%0.693SS**Hα-helixtrans-65.4-29.3177.1-73.2-68.4000112.8M1 E2 P8 F9M1-Y5 WeakPolarHBondContact O-CD2 3.21Å; E2-Y5 PolarHBondContact O-N 2.94Å; Y5-P8 WeakPolarHBondContact O-CD 3.45Å; Y5-P8 WeakPolarHBondContact O-CG 3.37Å; Y5-F9 WeakPolarHBondContact O-CD2 3.41Å; Y5-F9 WeakPolarHBondContact O-CE2 3.39Å
6R77.1Confident73.8Confident189 Ų189136 Ų13671%0.71370%0.7SS**Hα-helixtrans-73.6-25.9179.4-84.2-172.5172.6-171.8-1.3114.4E2 T3 L4 F9 L10E2-R6 PolarHBondContact O-N 2.92Å; T3-R6 PolarHBondContact O-N 3.34Å; L4-R6 VanDerWaalsContact C-N 3.27Å; L4-R6 PolarHBondContact O-N 3.07Å; R6-F9 PolarHBondContact O-N 3.44Å; R6-F9 VanDerWaalsContact O-N 3.11Å; R6-L10 PolarHBondContact O-N 3.36Å; R6-L10 VanDerWaalsContact O-N 3.07Å
7V79.4Confident73.5Confident88 Ų88134.8 Ų134.853%0.53370%0.695SS.*Hα-helixtrans-56-49.4-175.2-179.30000113.2L4 F9 L10L4-V7 PolarHBondContact O-N 3.46Å; V7-F9 VanDerWaalsContact C-N 3.31Å; V7-F9 PolarHBondContact O-N 3.23Å; V7-L10 PolarHBondContact O-N 2.87Å
8P76.9Confident73.2Confident65 Ų65137.7 Ų137.742%0.42270%0.701SS.*Hα-helixtrans-65.4-32.7176.722.5-32.3000113.1Y5 L10 V11 L12Y5-P8 WeakPolarHBondContact O-CD 3.45Å; Y5-P8 WeakPolarHBondContact O-CG 3.37Å; P8-L10 VanDerWaalsContact C-N 3.3Å; P8-L10 PolarHBondContact O-N 3.33Å; P8-V11 PolarHBondContact O-N 3.49Å; P8-L12 HydrophobicContact CB-CD1 4.32Å; P8-L12 WeakPolarHBondContact O-CB 3.41Å; P8-L12 WeakPolarHBondContact O-CD1 3.24Å; P8-L12 WeakPolarHBondContact O-CG 3.48Å; P8-L12 PolarHBondContact O-N 3.42Å
9F74.1Confident73.1Confident140 Ų140137.8 Ų137.861%0.61470%0.703SS**Hα-helixtrans-75.6-13.4178.5-63.1-69.7000114.3Y5 R6 V7Y5-F9 WeakPolarHBondContact O-CD2 3.41Å; Y5-F9 WeakPolarHBondContact O-CE2 3.39Å; R6-F9 PolarHBondContact O-N 3.44Å; R6-F9 VanDerWaalsContact O-N 3.11Å; V7-F9 VanDerWaalsContact C-N 3.31Å; V7-F9 PolarHBondContact O-N 3.23Å
10L74.6Confident72.9Confident144 Ų144141 Ų14175%0.75471%0.711SS**Hα-helixtrans-73.5-30.3169.4-83.6157.9000111.9R6 V7 P8R6-L10 PolarHBondContact O-N 3.36Å; R6-L10 VanDerWaalsContact O-N 3.07Å; V7-L10 PolarHBondContact O-N 2.87Å; P8-L10 VanDerWaalsContact C-N 3.3Å; P8-L10 PolarHBondContact O-N 3.33Å
11V76.8Confident72.8Confident126 Ų126142.9 Ų142.976%0.76472%0.715SS**Hα-helixtrans-89.4-36.6177.8-177.40000111P8 E13P8-V11 PolarHBondContact O-N 3.49Å; V11-E13 PolarHBondContact O-N 3.38Å
12L72Confident73.4Confident106 Ų106136.3 Ų136.356%0.55569%0.686SS**SBendtrans-76.786.4175-71.7155.7000109.5P8 C14P8-L12 HydrophobicContact CB-CD1 4.32Å; P8-L12 WeakPolarHBondContact O-CB 3.41Å; P8-L12 WeakPolarHBondContact O-CD1 3.24Å; P8-L12 WeakPolarHBondContact O-CG 3.48Å; P8-L12 PolarHBondContact O-N 3.42Å; L12-C14 PolarHBondContact O-N 2.91Å; L12-C14 VanDerWaalsContact O-N 3.13Å
13E70.3Confident73.3Confident177 Ų177133.9 Ų133.983%0.82769%0.685SS**  trans-54.6120.6161.3-76.1-168.3157.500108.3V11 P15V11-E13 PolarHBondContact O-N 3.38Å; E13-P15 WeakPolarHBondContact O-CD 3.42Å
14C67.8Low73.5Confident117 Ų117138.7 Ų138.779%0.79169%0.691SS**  trans-60.7112.2173.8-72.20000107.4L12 N16L12-C14 PolarHBondContact O-N 2.91Å; L12-C14 VanDerWaalsContact O-N 3.13Å; C14-N16 PolarHBondContact O-N 3.37Å; C14-N16 VanDerWaalsContact O-N 3.16Å
15P68Low73.5Confident98 Ų98138.2 Ų138.264%0.63669%0.688SS**  trans-61.8127.5-178.925.5-32.6000107.4E13 L17E13-P15 WeakPolarHBondContact O-CD 3.42Å; P15-L17 HydrophobicContact CB-CD1 4.34Å; P15-L17 HydrophobicContact CB-CG 4.18Å; P15-L17 HydrophobicContact CG-CD1 3.94Å; P15-L17 HydrophobicContact CG-CG 4.31Å; P15-L17 PolarHBondContact O-N 2.91Å
16N69.2Low73.6Confident151 Ų151137.5 Ų137.581%0.80769%0.69SS**  trans-74.364.3-179.4-160.5-6.6000109.7C14 K18C14-N16 PolarHBondContact O-N 3.37Å; C14-N16 VanDerWaalsContact O-N 3.16Å; N16-K18 PolarHBondContact O-N 2.96Å
17L67.9Low73.8Confident116 Ų116137.1 Ų137.161%0.60770%0.699SS**  trans-71.699.2177.7-78.6166.3000107P15 L19P15-L17 HydrophobicContact CB-CD1 4.34Å; P15-L17 HydrophobicContact CB-CG 4.18Å; P15-L17 HydrophobicContact CG-CD1 3.94Å; P15-L17 HydrophobicContact CG-CG 4.31Å; P15-L17 PolarHBondContact O-N 2.91Å; L17-L19 HydrophobicContact CB-CD1 3.95Å; L17-L19 HydrophobicContact CB-CG 3.99Å; L17-L19 HydrophobicContact CD1-CD1 4.18Å; L17-L19 HydrophobicContact CD2-CD1 4.44Å; L17-L19 HydrophobicContact CD2-CG 4.47Å; L17-L19 HydrophobicContact CG-CD1 4.42Å; L17-L19 PolarHBondContact O-N 3.38Å
18K68.6Low74.3Confident187 Ų187136.6 Ų136.681%0.81370%0.697SS**  trans-69.649.6167.2-65.2-176.6179.7177.60110.9N16 K20N16-K18 PolarHBondContact O-N 2.96Å; K18-K20 PolarHBondContact O-N 3.14Å
19L70.4Confident75Confident140 Ų140136.6 Ų136.673%0.73370%0.699SS**  trans-70.498.9172.9-70.6168.2000107L17 K21L17-L19 HydrophobicContact CB-CD1 3.95Å; L17-L19 HydrophobicContact CB-CG 3.99Å; L17-L19 HydrophobicContact CD1-CD1 4.18Å; L17-L19 HydrophobicContact CD2-CD1 4.44Å; L17-L19 HydrophobicContact CD2-CG 4.47Å; L17-L19 HydrophobicContact CG-CD1 4.42Å; L17-L19 PolarHBondContact O-N 3.38Å; L19-K21 PolarHBondContact O-N 3.5Å; L19-K21 VanDerWaalsContact O-N 3.09Å
20K68.7Low75.9Confident200 Ų200134.1 Ų134.187%0.8770%0.704SS**  trans-62.5113.3164.9-83.5-174.1175-1790106.8K18K18-K20 PolarHBondContact O-N 3.14Å
21K71.8Confident76.7Confident181 Ų181133.6 Ų133.679%0.78770%0.7SS**  trans-49.8129.6165.459.8-178.9-178.6175.70107.9L19L19-K21 PolarHBondContact O-N 3.5Å; L19-K21 VanDerWaalsContact O-N 3.09Å
22P77.2Confident77.5Confident49 Ų49130.9 Ų130.932%0.31868%0.683SS.*  trans-63.1132.7177.924.2-30.7000108.3W24 L25P22-W24 HydrophobicContact CB-CD2 4.21Å; P22-W24 HydrophobicContact CB-CG 4.22Å; P22-W24 HydrophobicContact CB-CZ2 4.18Å; P22-W24 VanDerWaalsContact CB-NE1 3.3Å; P22-W24 PolarHBondContact O-N 2.91Å; P22-W24 VanDerWaalsContact O-N 3.08Å; P22-L25 HydrophobicContact CG-CB 3.93Å; P22-L25 PolarHBondContact O-N 3.37Å
23P74.5Confident78.6Confident118 Ų118129.1 Ų129.177%0.76668%0.677SS**THydrogen-bonded Turntrans-63.7-18.9-172.424.3-33.4000113.1
24W81.2Confident79.6Confident216 Ų216124.7 Ų124.782%0.81865%0.653SS**THydrogen-bonded Turntrans-75.1-19.8175.657.251.5000114.1P22 H26P22-W24 HydrophobicContact CB-CD2 4.21Å; P22-W24 HydrophobicContact CB-CG 4.22Å; P22-W24 HydrophobicContact CB-CZ2 4.18Å; P22-W24 VanDerWaalsContact CB-NE1 3.3Å; P22-W24 PolarHBondContact O-N 2.91Å; P22-W24 VanDerWaalsContact O-N 3.08Å; W24-H26 PolarHBondContact O-N 2.93Å
25L78.9Confident80.9Confident125 Ų125121.3 Ų121.365%0.65463%0.634SS**  trans-9485-172.7-168.667.6000108.5P22P22-L25 HydrophobicContact CG-CB 3.93Å; P22-L25 PolarHBondContact O-N 3.37Å
26H79.5Confident82.2Confident154 Ų154122.1 Ų122.171%0.71363%0.632SS**PPolyproline II helixtrans-72.6136.3171.4-70.3-83.5000109.9W24W24-H26 PolarHBondContact O-N 2.93Å
27M82.3Confident83.4Confident182 Ų182119 Ų11990%0.89762%0.618SS**PPolyproline II helixtrans-63.9125.5174.9-163168179.200108.2
28P88.6Confident84.7Confident77 Ų77115.4 Ų115.450%0.560%0.601SS.*PPolyproline II helixtrans-63.5148.4-178.726.4-34000110.2T32 V33P28-T32 HydrophobicContact CB-CG2 4.33Å; P28-V33 HydrophobicContact CB-CG2 4.13Å; P28-V33 HydrophobicContact CG-CG2 3.85Å
29S92.8Very high86Confident64 Ų64110.5 Ų110.545%0.44859%0.586SS.*PPolyproline II helixtrans-66153175.882.60000110.7M31 T32 V33S29-M31 PolarHBondContact O-N 3.25Å; S29-T32 WeakPolarHBondContact O-CA 3.34Å; S29-T32 WeakPolarHBondContact O-CB 3.28Å; S29-T32 PolarHBondContact O-N 3.28Å; S29-T32 PolarHBondContact OG-N 3.5Å; S29-T32 VanDerWaalsContact OG-N 3.1Å; S29-T32 PolarHBondContact OG-OG1 2.97Å; S29-V33 PolarHBondContact O-N 2.87Å
30A92.4Very high87.2Confident89 Ų89106.2 Ų106.274%0.73657%0.568SS**Hα-helixtrans-55.6-36176.500000112.4V33 Y34A30-V33 PolarHBondContact O-N 3.47Å; A30-Y34 WeakPolarHBondContact O-CB 3.45Å; A30-Y34 PolarHBondContact O-N 3.05Å
31M92.1Very high88.4Confident132 Ų132102.3 Ų102.365%0.6555%0.549SS*.Hα-helixtrans-69-36.2176.5-171.159.870.100112.2S29 Y34 A35S29-M31 PolarHBondContact O-N 3.25Å; M31-Y34 PolarHBondContact O-N 3.23Å; M31-Y34 HydrophobicContact SD-CD1 3.69Å; M31-Y34 HydrophobicContact SD-CE1 4.36Å; M31-A35 WeakPolarHBondContact O-CB 3.17Å; M31-A35 PolarHBondContact O-N 2.62Å
32T92.9Very high89.5Confident69 Ų6996.3 Ų96.342%0.42352%0.523SS..Hα-helixtrans-63.3-45.5174.4-51.10000110.6P28 S29 A35 L36P28-T32 HydrophobicContact CB-CG2 4.33Å; S29-T32 WeakPolarHBondContact O-CA 3.34Å; S29-T32 WeakPolarHBondContact O-CB 3.28Å; S29-T32 PolarHBondContact O-N 3.28Å; S29-T32 PolarHBondContact OG-N 3.5Å; S29-T32 VanDerWaalsContact OG-N 3.1Å; S29-T32 PolarHBondContact OG-OG1 2.97Å; T32-A35 PolarHBondContact O-N 3.4Å; T32-L36 HydrophobicContact CG2-CD1 4.46Å; T32-L36 WeakPolarHBondContact O-CG 3.39Å; T32-L36 PolarHBondContact O-N 3.19Å
33V94.8Very high90.4Very high69 Ų6997.3 Ų97.342%0.41853%0.525SS..Hα-helixtrans-63.1-45.4176.81790000110.5P28 S29 A30 A35 L36 V37P28-V33 HydrophobicContact CB-CG2 4.13Å; P28-V33 HydrophobicContact CG-CG2 3.85Å; S29-V33 PolarHBondContact O-N 2.87Å; A30-V33 PolarHBondContact O-N 3.47Å; V33-A35 PolarHBondContact O-N 2.95Å; V33-L36 PolarHBondContact O-N 2.91Å; V33-V37 HydrophobicContact CG1-CG2 4.48Å; V33-V37 WeakPolarHBondContact O-CG2 3.48Å; V33-V37 PolarHBondContact O-N 3.31Å
34Y92.5Very high91.4Very high85 Ų8596.7 Ų96.733%0.33352%0.515SS..Hα-helixtrans-56.6-48.2175.2169.5-100000112.1A30 M31 L36 V37 V38 L99 I102A30-Y34 WeakPolarHBondContact O-CB 3.45Å; A30-Y34 PolarHBondContact O-N 3.05Å; M31-Y34 PolarHBondContact O-N 3.23Å; M31-Y34 HydrophobicContact SD-CD1 3.69Å; M31-Y34 HydrophobicContact SD-CE1 4.36Å; Y34-L36 VanDerWaalsContact C-N 3.34Å; Y34-L36 PolarHBondContact O-N 2.93Å; Y34-V37 PolarHBondContact O-N 3.32Å; Y34-V38 HydrophobicContact CD1-CG2 4.42Å; Y34-V38 HydrophobicContact CD2-CG2 4.11Å; Y34-V38 HydrophobicContact CE1-CG2 3.94Å; Y34-V38 HydrophobicContact CE2-CG2 3.59Å; Y34-V38 HydrophobicContact CG-CG2 4.5Å; Y34-V38 VanDerWaalsContact CZ-CG2 3.49Å; Y34-V38 WeakPolarHBondContact O-CG2 3.41Å; Y34-V38 PolarHBondContact O-N 2.89Å; Y34-L99 VanDerWaalsContact OH-CD2 3.31Å; Y34-L99 WeakPolarHBondContact OH-CD2 3.29Å; Y34-I102 HydrophobicContact CE2-CD1 3.87Å; Y34-I102 WeakPolarHBondContact OH-CD1 3.18Å
35A94.2Very high91.9Very high46 Ų4688.4 Ų88.438%0.3849%0.488SS..Hα-helixtrans-60.8-42.6178.300000111.9M31 T32 V33 V37 V38 V39M31-A35 WeakPolarHBondContact O-CB 3.17Å; M31-A35 PolarHBondContact O-N 2.62Å; T32-A35 PolarHBondContact O-N 3.4Å; V33-A35 PolarHBondContact O-N 2.95Å; A35-V37 VanDerWaalsContact C-N 3.33Å; A35-V37 PolarHBondContact O-N 3.32Å; A35-V38 PolarHBondContact O-N 3.1Å; A35-V39 WeakPolarHBondContact O-CB 3.05Å; A35-V39 VanDerWaalsContact O-CG2 3.26Å; A35-V39 WeakPolarHBondContact O-CG2 3.21Å; A35-V39 PolarHBondContact O-N 2.85Å
36L95.8Very high92.6Very high115 Ų11582.5 Ų82.560%0.60246%0.457SS*.Hα-helixtrans-61.7-40.4175.6-72.3172.7000112.2T32 V33 Y34 S40T32-L36 HydrophobicContact CG2-CD1 4.46Å; T32-L36 WeakPolarHBondContact O-CG 3.39Å; T32-L36 PolarHBondContact O-N 3.19Å; V33-L36 PolarHBondContact O-N 2.91Å; Y34-L36 VanDerWaalsContact C-N 3.34Å; Y34-L36 PolarHBondContact O-N 2.93Å; L36-S40 WeakPolarHBondContact O-CB 3.35Å; L36-S40 PolarHBondContact O-N 3.2Å; L36-S40 PolarHBondContact O-OG 3.02Å; L36-S40 VanDerWaalsContact O-OG 3.13Å
37V95.6Very high93.3Very high86 Ų8675.7 Ų75.752%0.52143%0.429SS..Hα-helixtrans-67.8-41.2177172.50000111.5V33 Y34 A35 S40 Y41V33-V37 HydrophobicContact CG1-CG2 4.48Å; V33-V37 WeakPolarHBondContact O-CG2 3.48Å; V33-V37 PolarHBondContact O-N 3.31Å; Y34-V37 PolarHBondContact O-N 3.32Å; A35-V37 VanDerWaalsContact C-N 3.33Å; A35-V37 PolarHBondContact O-N 3.32Å; V37-S40 WeakPolarHBondContact CA-OG 3.45Å; V37-S40 PolarHBondContact O-OG 3.42Å; V37-Y41 VanDerWaalsContact O-CB 3.23Å; V37-Y41 WeakPolarHBondContact O-CB 3.38Å; V37-Y41 PolarHBondContact O-N 2.76Å
38V93.9Very high93.8Very high40 Ų4070.5 Ų70.524%0.24240%0.404CS..Hα-helixtrans-67.1-42.8177.5172.30000111.2Y34 A35 Y41 F42Y34-V38 HydrophobicContact CD1-CG2 4.42Å; Y34-V38 HydrophobicContact CD2-CG2 4.11Å; Y34-V38 HydrophobicContact CE1-CG2 3.94Å; Y34-V38 HydrophobicContact CE2-CG2 3.59Å; Y34-V38 HydrophobicContact CG-CG2 4.5Å; Y34-V38 VanDerWaalsContact CZ-CG2 3.49Å; Y34-V38 WeakPolarHBondContact O-CG2 3.41Å; Y34-V38 PolarHBondContact O-N 2.89Å; A35-V38 PolarHBondContact O-N 3.1Å; V38-Y41 PolarHBondContact O-N 2.98Å; V38-F42 WeakPolarHBondContact O-CB 3.27Å; V38-F42 PolarHBondContact O-N 2.99Å
39V95.3Very high94.1Very high83 Ų8371.8 Ų71.850%0.50341%0.405SS..Hα-helixtrans-65-44.2176.9170.90000110.7A35 Y41 F42 L43A35-V39 WeakPolarHBondContact O-CB 3.05Å; A35-V39 VanDerWaalsContact O-CG2 3.26Å; A35-V39 WeakPolarHBondContact O-CG2 3.21Å; A35-V39 PolarHBondContact O-N 2.85Å; V39-Y41 PolarHBondContact O-N 2.86Å; V39-F42 WeakPolarHBondContact O-CB 3.34Å; V39-F42 PolarHBondContact O-N 3.37Å; V39-L43 HydrophobicContact CG1-CD1 4.12Å; V39-L43 HydrophobicContact CG1-CG 4.47Å; V39-L43 WeakPolarHBondContact O-CG 3.37Å; V39-L43 PolarHBondContact O-N 3.05Å
40S95.7Very high94Very high51 Ų5172 Ų7236%0.35740%0.397SS..Hα-helixtrans-64.7-41.5177.167.70000111.8L36 V37 F42 L43 I44L36-S40 WeakPolarHBondContact O-CB 3.35Å; L36-S40 PolarHBondContact O-N 3.2Å; L36-S40 PolarHBondContact O-OG 3.02Å; L36-S40 VanDerWaalsContact O-OG 3.13Å; V37-S40 WeakPolarHBondContact CA-OG 3.45Å; V37-S40 PolarHBondContact O-OG 3.42Å; S40-F42 PolarHBondContact O-N 3.47Å; S40-L43 PolarHBondContact O-N 2.82Å; S40-I44 WeakPolarHBondContact O-CB 3.2Å; S40-I44 VanDerWaalsContact O-CG1 3.23Å; S40-I44 WeakPolarHBondContact O-CG1 3.49Å; S40-I44 PolarHBondContact O-N 3.37Å
41Y94Very high94Very high118 Ų11869.1 Ų69.146%0.46337%0.369SS..Hα-helixtrans-58.8-45.6172.9176.5-100.8000111.8V37 V38 V39 L43 I44 T45 T95V37-Y41 VanDerWaalsContact O-CB 3.23Å; V37-Y41 WeakPolarHBondContact O-CB 3.38Å; V37-Y41 PolarHBondContact O-N 2.76Å; V38-Y41 PolarHBondContact O-N 2.98Å; V39-Y41 PolarHBondContact O-N 2.86Å; Y41-L43 PolarHBondContact O-N 3.08Å; Y41-I44 PolarHBondContact O-N 3.09Å; Y41-T45 HydrophobicContact CD1-CG2 4.41Å; Y41-T45 HydrophobicContact CD2-CG2 3.91Å; Y41-T45 HydrophobicContact CE1-CG2 4.06Å; Y41-T45 HydrophobicContact CE2-CG2 3.51Å; Y41-T45 HydrophobicContact CG-CG2 4.35Å; Y41-T45 WeakPolarHBondContact O-CB 3.36Å; Y41-T45 WeakPolarHBondContact O-CG2 3.33Å; Y41-T45 PolarHBondContact O-N 3.4Å; Y41-T45 PolarHBondContact O-OG1 3.41Å; Y41-T95 HydrophobicContact CD1-CG2 3.84Å; Y41-T95 HydrophobicContact CE1-CG2 4.04Å
42F95.4Very high94Very high54 Ų5467.9 Ų67.924%0.23737%0.369CS..Hα-helixtrans-58.4-46176.6176.6-94.2000112.3V38 V39 S40 T45 G46 L88 S91 F92 T95V38-F42 WeakPolarHBondContact O-CB 3.27Å; V38-F42 PolarHBondContact O-N 2.99Å; V39-F42 WeakPolarHBondContact O-CB 3.34Å; V39-F42 PolarHBondContact O-N 3.37Å; S40-F42 PolarHBondContact O-N 3.47Å; F42-T45 PolarHBondContact O-OG1 3.35Å; F42-G46 WeakPolarHBondContact O-CA 3.47Å; F42-G46 PolarHBondContact O-N 2.88Å; F42-L88 HydrophobicContact CE1-CD2 4.2Å; F42-L88 HydrophobicContact CZ-CD2 4.25Å; F42-S91 WeakPolarHBondContact CE2-OG 3.36Å; F42-S91 WeakPolarHBondContact O-CB 3.39Å; F42-F92 HydrophobicContact CE2-CB 4.04Å; F42-T95 HydrophobicContact CB-CG2 3.97Å; F42-T95 HydrophobicContact CD2-CG2 3.88Å; F42-T95 HydrophobicContact CG-CG2 4.43Å
43L95.5Very high94Very high70 Ų7070.7 Ų70.737%0.36638%0.38SS..Hα-helixtrans-69.4-43.2-178.6-66175.2000112V39 S40 Y41 G46 G47 I48V39-L43 HydrophobicContact CG1-CD1 4.12Å; V39-L43 HydrophobicContact CG1-CG 4.47Å; V39-L43 WeakPolarHBondContact O-CG 3.37Å; V39-L43 PolarHBondContact O-N 3.05Å; S40-L43 PolarHBondContact O-N 2.82Å; Y41-L43 PolarHBondContact O-N 3.08Å; L43-G46 PolarHBondContact O-N 3.42Å; L43-G47 PolarHBondContact O-N 3.27Å; L43-I48 HydrophobicContact CB-CD1 4.45Å; L43-I48 HydrophobicContact CB-CG2 4.15Å; L43-I48 HydrophobicContact CD2-CD1 4.21Å; L43-I48 WeakPolarHBondContact O-CB 3.35Å; L43-I48 VanDerWaalsContact O-CG2 3.29Å; L43-I48 WeakPolarHBondContact O-CG2 3.5Å; L43-I48 PolarHBondContact O-N 2.97Å; L43-I48 VanDerWaalsContact O-N 3.14Å
44I95.5Very high93.8Very high106 Ų10670.9 Ų70.954%0.54438%0.381SS..Hα-helixtrans-65.5-48179.2-67.8167.7000110.3S40 Y41 G46 G47S40-I44 WeakPolarHBondContact O-CB 3.2Å; S40-I44 VanDerWaalsContact O-CG1 3.23Å; S40-I44 WeakPolarHBondContact O-CG1 3.49Å; S40-I44 PolarHBondContact O-N 3.37Å; Y41-I44 PolarHBondContact O-N 3.09Å; I44-G46 VanDerWaalsContact C-N 3.27Å; I44-G46 PolarHBondContact O-N 3.22Å; I44-G47 PolarHBondContact O-N 3.23Å; I44-G47 VanDerWaalsContact O-N 3.1Å
45T92.7Very high93.7Very high41 Ų4174.5 Ų74.525%0.25240%0.401SS..Hα-helixtrans-67-29.5176.754.10000112.7Y41 F42 G47 S91Y41-T45 HydrophobicContact CD1-CG2 4.41Å; Y41-T45 HydrophobicContact CD2-CG2 3.91Å; Y41-T45 HydrophobicContact CE1-CG2 4.06Å; Y41-T45 HydrophobicContact CE2-CG2 3.51Å; Y41-T45 HydrophobicContact CG-CG2 4.35Å; Y41-T45 WeakPolarHBondContact O-CB 3.36Å; Y41-T45 WeakPolarHBondContact O-CG2 3.33Å; Y41-T45 PolarHBondContact O-N 3.4Å; Y41-T45 PolarHBondContact O-OG1 3.41Å; F42-T45 PolarHBondContact O-OG1 3.35Å; T45-G47 PolarHBondContact O-N 3.06Å; T45-S91 WeakPolarHBondContact OG1-CB 3.47Å
46G93.5Very high93.5Very high2 Ų273 Ų732%0.02139%0.387CS..THydrogen-bonded Turntrans-66.1-12173.400000113.5F42 L43 I44 Q82 G87F42-G46 WeakPolarHBondContact O-CA 3.47Å; F42-G46 PolarHBondContact O-N 2.88Å; L43-G46 PolarHBondContact O-N 3.42Å; I44-G46 VanDerWaalsContact C-N 3.27Å; I44-G46 PolarHBondContact O-N 3.22Å; G46-Q82 PolarHBondContact O-NE2 3.36Å; G46-G87 CarbonylContact O-C 3.58Å; G46-G87 VanDerWaalsContact O-CA 3.25Å; G46-G87 WeakPolarHBondContact O-CA 3.45Å
47G93.4Very high93.2Very high11 Ų1171.3 Ų71.311%0.11338%0.383CS..THydrogen-bonded Turntrans86.823.4178.500000113.4L43 I44 T45 I49 Y50 D51L43-G47 PolarHBondContact O-N 3.27Å; I44-G47 PolarHBondContact O-N 3.23Å; I44-G47 VanDerWaalsContact O-N 3.1Å; T45-G47 PolarHBondContact O-N 3.06Å; G47-I49 PolarHBondContact O-N 3.47Å; G47-Y50 CarbonylContact O-C 3.58Å; G47-Y50 VanDerWaalsContact O-CA 3.32Å; G47-Y50 WeakPolarHBondContact O-CA 3.48Å; G47-Y50 VanDerWaalsContact O-CB 3.24Å; G47-Y50 WeakPolarHBondContact O-CB 3.49Å; G47-Y50 PolarHBondContact O-N 3.42Å; G47-D51 PolarHBondContact O-N 3.16Å
48I94.1Very high92.9Very high72 Ų7270.4 Ų70.437%0.36938%0.381SS..Hα-helixtrans-56.1-33.1-177.5-162.6163.8000113.5L43 D51 V52L43-I48 HydrophobicContact CB-CD1 4.45Å; L43-I48 HydrophobicContact CB-CG2 4.15Å; L43-I48 HydrophobicContact CD2-CD1 4.21Å; L43-I48 WeakPolarHBondContact O-CB 3.35Å; L43-I48 VanDerWaalsContact O-CG2 3.29Å; L43-I48 WeakPolarHBondContact O-CG2 3.5Å; L43-I48 PolarHBondContact O-N 2.97Å; L43-I48 VanDerWaalsContact O-N 3.14Å; I48-D51 PolarHBondContact O-N 2.87Å; I48-V52 VanDerWaalsContact O-CG2 3.29Å; I48-V52 WeakPolarHBondContact O-CG2 3.24Å; I48-V52 PolarHBondContact O-N 3.22Å
49I94.1Very high92.7Very high104 Ų10472 Ų7253%0.53339%0.39SS..Hα-helixtrans-67.8-40.6175.6-60.6175.2000110.2G47 V52 I53G47-I49 PolarHBondContact O-N 3.47Å; I49-V52 PolarHBondContact O-N 2.8Å; I49-I53 HydrophobicContact CG2-CD1 3.78Å; I49-I53 WeakPolarHBondContact O-CD1 3.04Å; I49-I53 VanDerWaalsContact O-CG1 3.25Å; I49-I53 WeakPolarHBondContact O-CG1 3.31Å; I49-I53 PolarHBondContact O-N 3.17Å; I49-I53 VanDerWaalsContact O-N 3.15Å
50Y91.8Very high92.2Very high70 Ų7068.4 Ų68.428%0.27537%0.371SS..Hα-helixtrans-65.6-42174.7-179.1-94.6000111G47 V52 I53 V54 P56 N80 G81 Q82G47-Y50 CarbonylContact O-C 3.58Å; G47-Y50 VanDerWaalsContact O-CA 3.32Å; G47-Y50 WeakPolarHBondContact O-CA 3.48Å; G47-Y50 VanDerWaalsContact O-CB 3.24Å; G47-Y50 WeakPolarHBondContact O-CB 3.49Å; G47-Y50 PolarHBondContact O-N 3.42Å; Y50-V52 VanDerWaalsContact C-N 3.31Å; Y50-V52 PolarHBondContact O-N 2.89Å; Y50-I53 PolarHBondContact O-N 3.42Å; Y50-V54 HydrophobicContact CD2-CB 4.5Å; Y50-V54 HydrophobicContact CD2-CG2 3.89Å; Y50-V54 HydrophobicContact CE1-CB 4.15Å; Y50-V54 HydrophobicContact CE1-CG1 4.27Å; Y50-V54 HydrophobicContact CE1-CG2 4.47Å; Y50-V54 HydrophobicContact CE2-CB 4.15Å; Y50-V54 HydrophobicContact CE2-CG1 4.42Å; Y50-V54 HydrophobicContact CE2-CG2 3.58Å; Y50-V54 HydrophobicContact CG-CG2 4.47Å; Y50-V54 WeakPolarHBondContact O-CB 3.41Å; Y50-V54 PolarHBondContact O-N 3.42Å; Y50-P56 HydrophobicContact CD1-CG 4.1Å; Y50-P56 HydrophobicContact CE1-CB 4.23Å; Y50-P56 HydrophobicContact CE1-CG 3.84Å; Y50-N80 PolarHBondContact OH-O 3.35Å; Y50-G81 WeakPolarHBondContact OH-CA 3.29Å; Y50-Q82 HydrophobicContact CD1-CB 4.28Å; Y50-Q82 HydrophobicContact CE1-CB 4.02Å; Y50-Q82 WeakPolarHBondContact CE1-O 3.29Å
51D91.9Very high91.5Very high27 Ų2769.5 Ų69.514%0.14438%0.378CS..Hα-helixtrans-61.3-40178.5-63.7-17.7000111.7G47 I48 E55G47-D51 PolarHBondContact O-N 3.16Å; I48-D51 PolarHBondContact O-N 2.87Å; D51-E55 WeakPolarHBondContact O-CA 3.31Å; D51-E55 PolarHBondContact O-N 3.14Å
52V92Very high90.8Very high107 Ų10769.9 Ų69.965%0.64839%0.386SS*.Hα-helixtrans-71.8-34.8177.6170.50000112.7I48 I49 Y50I48-V52 VanDerWaalsContact O-CG2 3.29Å; I48-V52 WeakPolarHBondContact O-CG2 3.24Å; I48-V52 PolarHBondContact O-N 3.22Å; I49-V52 PolarHBondContact O-N 2.8Å; Y50-V52 VanDerWaalsContact C-N 3.31Å; Y50-V52 PolarHBondContact O-N 2.89Å
53I93.4Very high90Very high127 Ų12772.1 Ų72.165%0.65140%0.404SS*.Hα-helixtrans-83.2-44.3-175.8-66.8168.7000111.6I49 Y50I49-I53 HydrophobicContact CG2-CD1 3.78Å; I49-I53 WeakPolarHBondContact O-CD1 3.04Å; I49-I53 VanDerWaalsContact O-CG1 3.25Å; I49-I53 WeakPolarHBondContact O-CG1 3.31Å; I49-I53 PolarHBondContact O-N 3.17Å; I49-I53 VanDerWaalsContact O-N 3.15Å; Y50-I53 PolarHBondContact O-N 3.42Å
54V90.8Very high89.3Confident73 Ų7370.9 Ų70.944%0.44240%0.398SS..Hα-helixtrans-97.8-19.7-171.2179.60000111.7Y50 P56Y50-V54 HydrophobicContact CD2-CB 4.5Å; Y50-V54 HydrophobicContact CD2-CG2 3.89Å; Y50-V54 HydrophobicContact CE1-CB 4.15Å; Y50-V54 HydrophobicContact CE1-CG1 4.27Å; Y50-V54 HydrophobicContact CE1-CG2 4.47Å; Y50-V54 HydrophobicContact CE2-CB 4.15Å; Y50-V54 HydrophobicContact CE2-CG1 4.42Å; Y50-V54 HydrophobicContact CE2-CG2 3.58Å; Y50-V54 HydrophobicContact CG-CG2 4.47Å; Y50-V54 WeakPolarHBondContact O-CB 3.41Å; Y50-V54 PolarHBondContact O-N 3.42Å; V54-P56 VanDerWaalsContact C-N 3.31Å
55E90.3Very high88.7Confident161 Ų16174.9 Ų74.975%0.75241%0.414SS*.  trans46.351.8-176.1-59.7-178.1163.800112D51D51-E55 WeakPolarHBondContact O-CA 3.31Å; D51-E55 PolarHBondContact O-N 3.14Å
56P89.1Confident88.3Confident15 Ų1579.8 Ų79.810%0.09743%0.434CS..  trans-67152.7-178.932.9-36.4000110.6Y50 V54 Q82 I84Y50-P56 HydrophobicContact CD1-CG 4.1Å; Y50-P56 HydrophobicContact CE1-CB 4.23Å; Y50-P56 HydrophobicContact CE1-CG 3.84Å; V54-P56 VanDerWaalsContact C-N 3.31Å; P56-Q82 WeakPolarHBondContact CB-O 3.41Å; P56-I84 HydrophobicContact CG-CG1 4.13Å; P56-I84 WeakPolarHBondContact O-CD1 3.37Å
57P90.3Very high87.7Confident80 Ų8082.2 Ų82.252%0.51946%0.459SS..  trans-63.9152.5174.229.4-35.2000110.7V59 Y83P57-V59 VanDerWaalsContact C-N 3.35Å; P57-V59 PolarHBondContact O-N 3.27Å; P57-Y83 HydrophobicContact CG-CD1 3.87Å; P57-Y83 HydrophobicContact CG-CE1 3.65Å; P57-Y83 WeakPolarHBondContact O-CD1 3.26Å
58S88.5Confident87.3Confident67 Ų6787.9 Ų87.947%0.46948%0.482SS..SBendtrans-66.4-37.7-177.2-47.40000113M85S58-M85 WeakPolarHBondContact O-CB 3.32Å; S58-M85 VanDerWaalsContact O-CG 3.26Å; S58-M85 WeakPolarHBondContact O-CG 3.41Å; S58-M85 PolarHBondContact O-N 3.38Å
59V88.7Confident86.6Confident72 Ų7291.3 Ų91.344%0.43650%0.497SS..SBendtrans-140.7145.9176.4-66.50000109.2P57 M85P57-V59 VanDerWaalsContact C-N 3.35Å; P57-V59 PolarHBondContact O-N 3.27Å; V59-M85 HydrophobicContact CG1-CB 4.2Å; V59-M85 HydrophobicContact CG1-CG 3.72Å
60G85.9Confident86.2Confident9 Ų993.4 Ų93.49%0.09350%0.498CS..EExtended strand (participates in β ladder)trans-86.1174.7170.500000112.2P71 V72 Y83G60-P71 CarbonylContact O-C 3.52Å; G60-P71 WeakPolarHBondContact O-CA 3.12Å; G60-V72 PolarHBondContact N-O 3.19Å; G60-V72 PolarHBondContact O-N 2.95Å; G60-Y83 WeakPolarHBondContact CA-OH 3.35Å
61S81.7Confident85.8Confident73 Ų7395.3 Ų95.351%0.5152%0.519SS..EExtended strand (participates in β ladder)trans-127.7141.3167.361.10000110.6R70S61-R70 CarbonylContact C-O 3.53Å; S61-R70 WeakPolarHBondContact CA-O 3.34Å
62M79.2Confident85.3Confident127 Ų12796.2 Ų96.263%0.62653%0.525SS*.EExtended strand (participates in β ladder)trans-120.3132.3171.6-172.5173.3-173.600108.3D64 R70 V72M62-D64 PolarHBondContact O-N 3.01Å; M62-R70 PolarHBondContact N-O 3.06Å; M62-R70 PolarHBondContact O-N 2.97Å; M62-V72 HydrophobicContact CB-CG1 3.89Å; M62-V72 HydrophobicContact CB-CG2 4.46Å
63T78.7Confident84.9Confident100 Ų10093 Ų9361%0.61351%0.51SS*.EExtended strand (participates in β ladder)trans-76120.8173.350.50000109.3Q69T63-Q69 HydrophobicContact CG2-CG 4.32Å
64D80.5Confident84.5Confident45 Ų4589 Ų8924%0.24149%0.488CS..  trans-70.7167.4171.9-164.214.3000110.8M62 H66 G67 H68 R70M62-D64 PolarHBondContact O-N 3.01Å; D64-H66 PolarHBondContact O-N 2.9Å; D64-H66 IonicContact OD2-ND1 3.99Å; D64-G67 PolarHBondContact O-N 3.45Å; D64-H68 WeakPolarHBondContact CB-O 3.42Å; D64-H68 PolarHBondContact N-O 3.36Å; D64-R70 HydrophobicContact CB-CG 4.31Å; D64-R70 IonicContact OD2-CZ 3.13Å; D64-R70 IonicContact OD2-NE 2.92Å; D64-R70 PolarHBondContact OD2-NE 2.71Å; D64-R70 IonicContact OD2-NH2 2.69Å; D64-R70 PolarHBondContact OD2-NH2 3.47Å
65E82.6Confident84.1Confident189 Ų18987.3 Ų87.388%0.88348%0.476SS*.THydrogen-bonded Turntrans-58.7-24.9-179.4-62.5-168.3160.600113G67E65-G67 VanDerWaalsContact C-N 3.31Å
66H83.1Confident83.7Confident144 Ų14481.6 Ų81.667%0.66746%0.456SS*.THydrogen-bonded Turntrans-86.75.1176.8-58.593.9000113.7D64 H68D64-H66 PolarHBondContact O-N 2.9Å; D64-H66 IonicContact OD2-ND1 3.99Å; H66-H68 VanDerWaalsContact C-N 3.26Å; H66-H68 PolarHBondContact O-N 3.45Å
67G82.1Confident83.3Confident54 Ų5488.9 Ų88.956%0.55748%0.483SS*.SBendtrans790.5-177.600000114.9D64 E65D64-G67 PolarHBondContact O-N 3.45Å; E65-G67 VanDerWaalsContact C-N 3.31Å
68H83.9Confident82.9Confident129 Ų12993.5 Ų93.560%0.59749%0.49SS*.PPolyproline II helixtrans-75.1135.8175.6-64.3-56000111.3D64 H66 R70D64-H68 WeakPolarHBondContact CB-O 3.42Å; D64-H68 PolarHBondContact N-O 3.36Å; H66-H68 VanDerWaalsContact C-N 3.26Å; H66-H68 PolarHBondContact O-N 3.45Å; H68-R70 PolarHBondContact O-N 2.77Å
69Q80.8Confident82.6Confident144 Ų14494.4 Ų94.467%0.67349%0.493SS*.EExtended strand (participates in β ladder)trans-79.8119.1173.4-63.7-172.929.200109.8T63T63-Q69 HydrophobicContact CG2-CG 4.32Å
70R84.1Confident82.3Confident149 Ų14998.3 Ų98.356%0.56251%0.511SS*.EExtended strand (participates in β ladder)trans-102.9132.5172.2-64.8-169.9-176-152.95109.8S61 M62 D64 H68S61-R70 CarbonylContact C-O 3.53Å; S61-R70 WeakPolarHBondContact CA-O 3.34Å; M62-R70 PolarHBondContact N-O 3.06Å; M62-R70 PolarHBondContact O-N 2.97Å; D64-R70 HydrophobicContact CB-CG 4.31Å; D64-R70 IonicContact OD2-CZ 3.13Å; D64-R70 IonicContact OD2-NE 2.92Å; D64-R70 PolarHBondContact OD2-NE 2.71Å; D64-R70 IonicContact OD2-NH2 2.69Å; D64-R70 PolarHBondContact OD2-NH2 3.47Å; H68-R70 PolarHBondContact O-N 2.77Å
71P83.6Confident82.3Confident109 Ų10998.2 Ų98.271%0.70851%0.511SS*.EExtended strand (participates in β ladder)trans-68.7135.6176.828.8-33.5000110.2G60G60-P71 CarbonylContact O-C 3.52Å; G60-P71 WeakPolarHBondContact O-CA 3.12Å
72V82.6Confident82.5Confident46 Ų4696.8 Ų96.828%0.27950%0.496SS..EExtended strand (participates in β ladder)trans-122.4123.7176.1-68.40000109.5G60 M62G60-V72 PolarHBondContact N-O 3.19Å; G60-V72 PolarHBondContact O-N 2.95Å; M62-V72 HydrophobicContact CB-CG1 3.89Å; M62-V72 HydrophobicContact CB-CG2 4.46Å
73A83.5Confident83.1Confident41 Ų4192.4 Ų92.434%0.33947%0.472SS..SBendtrans-84.5-16.5-178.900000113.3M85 E86A73-M85 HydrophobicContact CB-CB 4.46Å; A73-E86 WeakPolarHBondContact O-CB 3.49Å
74F84Confident83.7Confident42 Ų4289.7 Ų89.718%0.18445%0.454CS..SBendtrans-111.9132.8-178.3-75.8-93.1000110.8A76 E86 F138 M141F74-A76 PolarHBondContact O-N 3.45Å; F74-E86 HydrophobicContact CD1-CG 3.43Å; F74-E86 VanDerWaalsContact CD1-CG 3.43Å; F74-E86 HydrophobicContact CE1-CG 3.52Å; F74-E86 HydrophobicContact CG-CG 4.14Å; F74-E86 HydrophobicContact CZ-CG 4.3Å; F74-F138 HydrophobicContact CE1-CB 4.07Å; F74-F138 AromaticContact CE1-CD1 3.94Å; F74-F138 HydrophobicContact CE1-CD1 3.94Å; F74-F138 AromaticContact CE1-CD2 3.87Å; F74-F138 HydrophobicContact CE1-CD2 3.87Å; F74-F138 HydrophobicContact CE1-CE1 4.34Å; F74-F138 HydrophobicContact CE1-CE2 4.22Å; F74-F138 AromaticContact CE1-CG 3.71Å; F74-F138 HydrophobicContact CE1-CG 3.71Å; F74-F138 HydrophobicContact CE1-CZ 4.47Å; F74-F138 HydrophobicContact CE2-CD1 4.29Å; F74-F138 HydrophobicContact CE2-CE1 4.07Å; F74-F138 HydrophobicContact CE2-CZ 4.37Å; F74-F138 HydrophobicContact CZ-CB 4.46Å; F74-F138 AromaticContact CZ-CD1 3.46Å; F74-F138 HydrophobicContact CZ-CD1 3.46Å; F74-F138 VanDerWaalsContact CZ-CD1 3.46Å; F74-F138 AromaticContact CZ-CD2 3.78Å; F74-F138 HydrophobicContact CZ-CD2 3.78Å; F74-F138 AromaticContact CZ-CE1 3.44Å; F74-F138 HydrophobicContact CZ-CE1 3.44Å; F74-F138 VanDerWaalsContact CZ-CE1 3.44Å; F74-F138 AromaticContact CZ-CE2 3.7Å; F74-F138 HydrophobicContact CZ-CE2 3.7Å; F74-F138 AromaticContact CZ-CG 3.65Å; F74-F138 HydrophobicContact CZ-CG 3.65Å; F74-F138 AromaticContact CZ-CZ 3.56Å; F74-F138 HydrophobicContact CZ-CZ 3.56Å; F74-M141 HydrophobicContact CD1-CB 4.39Å; F74-M141 HydrophobicContact CD2-SD 4.07Å; F74-M141 HydrophobicContact CE2-SD 4.06Å; F74-M141 HydrophobicContact CG-CB 4.33Å
75L82.5Confident84.2Confident37 Ų3792 Ų9219%0.19446%0.464CS..  trans-86.892.6172.7-173.867.2000110R78 Y83 E86L75-R78 HydrophobicContact CD2-CB 3.74Å; L75-R78 HydrophobicContact CD2-CG 4.38Å; L75-R78 HydrophobicContact CG-CB 3.97Å; L75-Y83 HydrophobicContact CB-CD2 3.87Å; L75-Y83 HydrophobicContact CB-CE2 3.67Å; L75-Y83 HydrophobicContact CB-CG 4.48Å; L75-Y83 HydrophobicContact CD1-CE1 4.31Å; L75-Y83 HydrophobicContact CD1-CE2 3.93Å; L75-Y83 WeakPolarHBondContact CD1-OH 3.2Å; L75-Y83 HydrophobicContact CG-CE2 4.36Å; L75-E86 PolarHBondContact N-OE2 2.9Å
76A82.7Confident84.7Confident41 Ų4183.4 Ų83.434%0.33942%0.424SS..THydrogen-bonded Turntrans-62.9146.2179.800000112.3F74 R78F74-A76 PolarHBondContact O-N 3.45Å; A76-R78 PolarHBondContact O-N 3.06Å
77Y80.4Confident85.1Confident169 Ų16976.5 Ų76.566%0.66339%0.392SS*.THydrogen-bonded Turntrans66.1-13175.7-52.6-79.1000117.1K142 P144Y77-K142 PolarHBondContact N-O 3.25Å; Y77-P144 HydrophobicContact CE1-CB 4.16Å; Y77-P144 HydrophobicContact CE1-CG 3.9Å; Y77-P144 HydrophobicContact CE2-CG 4.21Å
78R82.9Confident85.7Confident176 Ų17677.3 Ų77.366%0.66438%0.383SS*.  trans-102.492.2174.4-68.5-172.4174.4-147.31.9110.7L75 A76 N80 G81L75-R78 HydrophobicContact CD2-CB 3.74Å; L75-R78 HydrophobicContact CD2-CG 4.38Å; L75-R78 HydrophobicContact CG-CB 3.97Å; A76-R78 PolarHBondContact O-N 3.06Å; R78-N80 VanDerWaalsContact C-N 3.27Å; R78-N80 PolarHBondContact O-N 2.72Å; R78-G81 PolarHBondContact O-N 2.88Å; R78-G81 VanDerWaalsContact O-N 3.1Å
79V80.8Confident86.1Confident86 Ų8672.9 Ų72.952%0.52137%0.369SS..THydrogen-bonded Turntrans-63.2-34.9-178.8-143.90000112.6G81 L143V79-G81 VanDerWaalsContact C-N 3.3Å; V79-L143 HydrophobicContact CG1-CD1 4.48Å; V79-L143 HydrophobicContact CG2-CD2 3.91Å
80N83.1Confident86.7Confident155 Ų15566.8 Ų66.883%0.82934%0.342SS*.THydrogen-bonded Turntrans-82.5-6.7179-59.7-31.3000113.5Y50 R78Y50-N80 PolarHBondContact OH-O 3.35Å; R78-N80 VanDerWaalsContact C-N 3.27Å; R78-N80 PolarHBondContact O-N 2.72Å
81G85.6Confident87.2Confident7 Ų759.7 Ų59.77%0.07232%0.315CS..  trans-105.6147178.800000110.6Y50 R78 V79 K142Y50-G81 WeakPolarHBondContact OH-CA 3.29Å; R78-G81 PolarHBondContact O-N 2.88Å; R78-G81 VanDerWaalsContact O-N 3.1Å; V79-G81 VanDerWaalsContact C-N 3.3Å; G81-K142 PolarHBondContact O-NZ 3.15Å
82Q86.7Confident87.7Confident42 Ų4259.9 Ų59.920%0.19631%0.305CS..  trans-148.5136.3-180-173.6169.1-50.500109.5G46 Y50 P56 E86G46-Q82 PolarHBondContact O-NE2 3.36Å; Y50-Q82 HydrophobicContact CD1-CB 4.28Å; Y50-Q82 HydrophobicContact CE1-CB 4.02Å; Y50-Q82 WeakPolarHBondContact CE1-O 3.29Å; P56-Q82 WeakPolarHBondContact CB-O 3.41Å; Q82-E86 HydrophobicContact CG-CB 3.99Å; Q82-E86 HydrophobicContact CG-CG 4.35Å
83Y91.4Very high88.2Confident35 Ų3558.5 Ų58.514%0.13730%0.296CS..  trans-84.7153.4166.6-64.5-49.8000110.3P57 G60 L75 M85 E86 G87P57-Y83 HydrophobicContact CG-CD1 3.87Å; P57-Y83 HydrophobicContact CG-CE1 3.65Å; P57-Y83 WeakPolarHBondContact O-CD1 3.26Å; G60-Y83 WeakPolarHBondContact CA-OH 3.35Å; L75-Y83 HydrophobicContact CB-CD2 3.87Å; L75-Y83 HydrophobicContact CB-CE2 3.67Å; L75-Y83 HydrophobicContact CB-CG 4.48Å; L75-Y83 HydrophobicContact CD1-CE1 4.31Å; L75-Y83 HydrophobicContact CD1-CE2 3.93Å; L75-Y83 WeakPolarHBondContact CD1-OH 3.2Å; L75-Y83 HydrophobicContact CG-CE2 4.36Å; Y83-M85 VanDerWaalsContact C-N 3.27Å; Y83-M85 PolarHBondContact O-N 2.99Å; Y83-E86 WeakPolarHBondContact O-CA 3.29Å; Y83-E86 WeakPolarHBondContact O-CB 3.25Å; Y83-E86 PolarHBondContact O-N 2.92Å; Y83-G87 PolarHBondContact O-N 3.24Å; Y83-G87 VanDerWaalsContact O-N 3.07Å
84I91.5Very high88.6Confident44 Ų4461 Ų6123%0.22630%0.3CS..Hα-helixtrans-57.8-43.3-178.3-55177000110.7P56 E86 G87 L88P56-I84 HydrophobicContact CG-CG1 4.13Å; P56-I84 WeakPolarHBondContact O-CD1 3.37Å; I84-E86 VanDerWaalsContact C-N 3.29Å; I84-E86 PolarHBondContact O-N 3.48Å; I84-G87 PolarHBondContact O-N 3.13Å; I84-L88 HydrophobicContact CG2-CD1 3.96Å; I84-L88 HydrophobicContact CG2-CG 4.32Å; I84-L88 WeakPolarHBondContact O-CG 3.35Å; I84-L88 PolarHBondContact O-N 2.98Å
85M91.4Very high89.1Confident93 Ų9359.8 Ų59.846%0.45830%0.296SS..Hα-helixtrans-66.2-31.8178.5-69.7-60.2-66.500113S58 V59 A73 Y83 L88 A89S58-M85 WeakPolarHBondContact O-CB 3.32Å; S58-M85 VanDerWaalsContact O-CG 3.26Å; S58-M85 WeakPolarHBondContact O-CG 3.41Å; S58-M85 PolarHBondContact O-N 3.38Å; V59-M85 HydrophobicContact CG1-CB 4.2Å; V59-M85 HydrophobicContact CG1-CG 3.72Å; A73-M85 HydrophobicContact CB-CB 4.46Å; Y83-M85 VanDerWaalsContact C-N 3.27Å; Y83-M85 PolarHBondContact O-N 2.99Å; M85-L88 HydrophobicContact SD-CD1 4.49Å; M85-A89 WeakPolarHBondContact O-CB 3.41Å; M85-A89 PolarHBondContact O-N 2.92Å
86E91.6Very high89.6Confident8 Ų860 Ų604%0.03730%0.297CS..Hα-helixtrans-62.3-46.5173.5-162-173.4134.500111A73 F74 L75 Q82 Y83 I84 S90 K142A73-E86 WeakPolarHBondContact O-CB 3.49Å; F74-E86 HydrophobicContact CD1-CG 3.43Å; F74-E86 VanDerWaalsContact CD1-CG 3.43Å; F74-E86 HydrophobicContact CE1-CG 3.52Å; F74-E86 HydrophobicContact CG-CG 4.14Å; F74-E86 HydrophobicContact CZ-CG 4.3Å; L75-E86 PolarHBondContact N-OE2 2.9Å; Q82-E86 HydrophobicContact CG-CB 3.99Å; Q82-E86 HydrophobicContact CG-CG 4.35Å; Y83-E86 WeakPolarHBondContact O-CA 3.29Å; Y83-E86 WeakPolarHBondContact O-CB 3.25Å; Y83-E86 PolarHBondContact O-N 2.92Å; I84-E86 VanDerWaalsContact C-N 3.29Å; I84-E86 PolarHBondContact O-N 3.48Å; E86-S90 WeakPolarHBondContact O-CB 3.21Å; E86-S90 PolarHBondContact O-N 2.8Å; E86-S90 PolarHBondContact O-OG 3.33Å; E86-K142 WeakPolarHBondContact OE1-CD 3.45Å; E86-K142 WeakPolarHBondContact OE1-CE 3.47Å; E86-K142 IonicContact OE1-NZ 3.94Å; E86-K142 PolarHBondContact OE1-NZ 3.42Å; E86-K142 IonicContact OE2-NZ 2.65Å
87G92.9Very high90.2Very high0 Ų058.2 Ų58.20%028%0.282CS..Hα-helixtrans-62.6-52177.500000113.2G46 Y83 I84 A89 S90 S91G46-G87 CarbonylContact O-C 3.58Å; G46-G87 VanDerWaalsContact O-CA 3.25Å; G46-G87 WeakPolarHBondContact O-CA 3.45Å; Y83-G87 PolarHBondContact O-N 3.24Å; Y83-G87 VanDerWaalsContact O-N 3.07Å; I84-G87 PolarHBondContact O-N 3.13Å; G87-A89 VanDerWaalsContact C-N 3.32Å; G87-A89 PolarHBondContact O-N 2.91Å; G87-S90 PolarHBondContact O-N 3.06Å; G87-S90 PolarHBondContact O-OG 3.28Å; G87-S91 PolarHBondContact O-N 3.48Å; G87-S91 PolarHBondContact O-OG 3.43Å
88L93.6Very high90.9Very high70 Ų7051.8 Ų51.837%0.36627%0.267SS..Hα-helixtrans-60.9-40178-68.3175.7000112.4F42 I84 M85 S91 F92F42-L88 HydrophobicContact CE1-CD2 4.2Å; F42-L88 HydrophobicContact CZ-CD2 4.25Å; I84-L88 HydrophobicContact CG2-CD1 3.96Å; I84-L88 HydrophobicContact CG2-CG 4.32Å; I84-L88 WeakPolarHBondContact O-CG 3.35Å; I84-L88 PolarHBondContact O-N 2.98Å; M85-L88 HydrophobicContact SD-CD1 4.49Å; L88-S91 PolarHBondContact O-OG 3.33Å; L88-S91 VanDerWaalsContact O-OG 3.14Å; L88-F92 VanDerWaalsContact O-CB 3.25Å; L88-F92 WeakPolarHBondContact O-CB 3.47Å; L88-F92 PolarHBondContact O-N 3.33Å
89A93.4Very high91.4Very high36 Ų3646.8 Ų46.830%0.29825%0.253SS..Hα-helixtrans-66.2-42.617700000111.6M85 G87 L93 F138M85-A89 WeakPolarHBondContact O-CB 3.41Å; M85-A89 PolarHBondContact O-N 2.92Å; G87-A89 VanDerWaalsContact C-N 3.32Å; G87-A89 PolarHBondContact O-N 2.91Å; A89-L93 WeakPolarHBondContact O-CG 3.33Å; A89-L93 PolarHBondContact O-N 2.98Å; A89-L93 VanDerWaalsContact O-N 3.13Å; A89-F138 HydrophobicContact CB-CE2 3.99Å; A89-F138 HydrophobicContact CB-CZ 3.97Å
90S92.7Very high92.1Very high16 Ų1642.7 Ų42.711%0.11223%0.228CC..Hα-helixtrans-68.4-44.6-18060.30000112.4E86 G87 F92 L93 F94E86-S90 WeakPolarHBondContact O-CB 3.21Å; E86-S90 PolarHBondContact O-N 2.8Å; E86-S90 PolarHBondContact O-OG 3.33Å; G87-S90 PolarHBondContact O-N 3.06Å; G87-S90 PolarHBondContact O-OG 3.28Å; S90-F92 VanDerWaalsContact C-N 3.31Å; S90-F92 PolarHBondContact O-N 2.87Å; S90-L93 PolarHBondContact O-N 3Å; S90-F94 WeakPolarHBondContact O-CD2 3.38Å; S90-F94 VanDerWaalsContact O-CG 3.29Å; S90-F94 WeakPolarHBondContact O-CG 3.14Å; S90-F94 PolarHBondContact O-N 3.5Å
91S94.5Very high92.6Very high0 Ų041.5 Ų41.50%022%0.216CC..Hα-helixtrans-64.1-35.6175.965.10000112.7F42 T45 G87 L88 F94 T95F42-S91 WeakPolarHBondContact CE2-OG 3.36Å; F42-S91 WeakPolarHBondContact O-CB 3.39Å; T45-S91 WeakPolarHBondContact OG1-CB 3.47Å; G87-S91 PolarHBondContact O-N 3.48Å; G87-S91 PolarHBondContact O-OG 3.43Å; L88-S91 PolarHBondContact O-OG 3.33Å; L88-S91 VanDerWaalsContact O-OG 3.14Å; S91-F94 PolarHBondContact O-N 3.13Å; S91-T95 WeakPolarHBondContact O-CB 3.23Å; S91-T95 WeakPolarHBondContact O-CG2 3.33Å; S91-T95 PolarHBondContact O-N 2.91Å; S91-T95 PolarHBondContact O-OG1 3.16Å
92F93.8Very high93Very high113 Ų11345 Ų4550%0.49623%0.232SC..Hα-helixtrans-63.5-44.1174.3-177.4-107.2000112F42 L88 S90 T95 M96F42-F92 HydrophobicContact CE2-CB 4.04Å; L88-F92 VanDerWaalsContact O-CB 3.25Å; L88-F92 WeakPolarHBondContact O-CB 3.47Å; L88-F92 PolarHBondContact O-N 3.33Å; S90-F92 VanDerWaalsContact C-N 3.31Å; S90-F92 PolarHBondContact O-N 2.87Å; F92-T95 WeakPolarHBondContact CA-OG1 3.5Å; F92-T95 PolarHBondContact O-OG1 2.89Å; F92-M96 HydrophobicContact CD1-CE 3.97Å; F92-M96 HydrophobicContact CE1-CE 3.18Å; F92-M96 HydrophobicContact CE2-CE 4.5Å; F92-M96 HydrophobicContact CZ-CE 3.5Å; F92-M96 VanDerWaalsContact O-CB 3.29Å; F92-M96 WeakPolarHBondContact O-CB 3.39Å; F92-M96 PolarHBondContact O-N 3.4Å
93L93.5Very high93.3Very high18 Ų1845.2 Ų45.29%0.09423%0.234CC..Hα-helixtrans-67.7-39.8177.7-71.3169.8000112.6A89 S90 M96 G97 S131 M134 F138A89-L93 WeakPolarHBondContact O-CG 3.33Å; A89-L93 PolarHBondContact O-N 2.98Å; A89-L93 VanDerWaalsContact O-N 3.13Å; S90-L93 PolarHBondContact O-N 3Å; L93-M96 PolarHBondContact O-N 3.13Å; L93-G97 PolarHBondContact O-N 3.48Å; L93-S131 WeakPolarHBondContact O-CB 3.37Å; L93-M134 HydrophobicContact CD1-CB 3.47Å; L93-M134 VanDerWaalsContact CD1-CB 3.47Å; L93-M134 HydrophobicContact CD1-CG 4.32Å; L93-M134 HydrophobicContact CD2-CB 3.82Å; L93-M134 HydrophobicContact CD2-CG 3.97Å; L93-M134 HydrophobicContact CG-CB 4.24Å; L93-F138 HydrophobicContact CD1-CD2 3.95Å; L93-F138 HydrophobicContact CD1-CE1 3.97Å; L93-F138 HydrophobicContact CD1-CE2 3.28Å; L93-F138 HydrophobicContact CD1-CZ 3.26Å; L93-F138 HydrophobicContact CG-CE2 4.48Å
94F91.9Very high93.4Very high92 Ų9245.5 Ų45.540%0.40424%0.238SC..Hα-helixtrans-66.9-41.6177-63.6-34.3000112.2S90 S91 G97 G98 A135S90-F94 WeakPolarHBondContact O-CD2 3.38Å; S90-F94 VanDerWaalsContact O-CG 3.29Å; S90-F94 WeakPolarHBondContact O-CG 3.14Å; S90-F94 PolarHBondContact O-N 3.5Å; S91-F94 PolarHBondContact O-N 3.13Å; F94-G97 PolarHBondContact O-N 2.92Å; F94-G98 PolarHBondContact O-N 3.16Å; F94-A135 HydrophobicContact CE1-CB 4.15Å
95T94.1Very high93.4Very high17 Ų1749 Ų4910%0.10426%0.257CS..Hα-helixtrans-66.8-38.9174.650.60000111.9Y41 F42 S91 F92 G97 G98 L99Y41-T95 HydrophobicContact CD1-CG2 3.84Å; Y41-T95 HydrophobicContact CE1-CG2 4.04Å; F42-T95 HydrophobicContact CB-CG2 3.97Å; F42-T95 HydrophobicContact CD2-CG2 3.88Å; F42-T95 HydrophobicContact CG-CG2 4.43Å; S91-T95 WeakPolarHBondContact O-CB 3.23Å; S91-T95 WeakPolarHBondContact O-CG2 3.33Å; S91-T95 PolarHBondContact O-N 2.91Å; S91-T95 PolarHBondContact O-OG1 3.16Å; F92-T95 WeakPolarHBondContact CA-OG1 3.5Å; F92-T95 PolarHBondContact O-OG1 2.89Å; T95-G97 VanDerWaalsContact C-N 3.34Å; T95-G97 PolarHBondContact O-N 2.83Å; T95-G98 PolarHBondContact O-N 3.39Å; T95-L99 VanDerWaalsContact O-CB 3.31Å; T95-L99 WeakPolarHBondContact O-CB 3.22Å; T95-L99 VanDerWaalsContact O-CG 3.24Å; T95-L99 WeakPolarHBondContact O-CG 3.21Å; T95-L99 PolarHBondContact O-N 3.18Å
96M94.3Very high93.3Very high43 Ų4352.6 Ų52.621%0.21227%0.265CS..Hα-helixtrans-61.2-42172.7-173.3-174.4-58.100112F92 L93 G100 C127 L130F92-M96 HydrophobicContact CD1-CE 3.97Å; F92-M96 HydrophobicContact CE1-CE 3.18Å; F92-M96 HydrophobicContact CE2-CE 4.5Å; F92-M96 HydrophobicContact CZ-CE 3.5Å; F92-M96 VanDerWaalsContact O-CB 3.29Å; F92-M96 WeakPolarHBondContact O-CB 3.39Å; F92-M96 PolarHBondContact O-N 3.4Å; L93-M96 PolarHBondContact O-N 3.13Å; M96-G100 PolarHBondContact O-N 3.47Å; M96-C127 HydrophobicContact CG-CB 4.23Å; M96-L130 HydrophobicContact SD-CD2 4Å
97G95.4Very high93.2Very high3 Ų352.2 Ų52.23%0.03126%0.264CS..Hα-helixtrans-62.3-46.9174.400000112.4L93 F94 T95 G100 F101 S131L93-G97 PolarHBondContact O-N 3.48Å; F94-G97 PolarHBondContact O-N 2.92Å; T95-G97 VanDerWaalsContact C-N 3.34Å; T95-G97 PolarHBondContact O-N 2.83Å; G97-G100 WeakPolarHBondContact O-CA 3.4Å; G97-G100 PolarHBondContact O-N 3.41Å; G97-G100 VanDerWaalsContact O-N 3.16Å; G97-F101 VanDerWaalsContact O-CD2 3.32Å; G97-F101 WeakPolarHBondContact O-CD2 3.35Å; G97-F101 PolarHBondContact O-N 3.18Å; G97-S131 VanDerWaalsContact CA-OG 3.29Å; G97-S131 WeakPolarHBondContact CA-OG 3.32Å
98G93.7Very high92.9Very high34 Ų3457.5 Ų57.535%0.35129%0.292SS..Hα-helixtrans-61.9-44.217600000113.1F94 T95 G100 F101 I102F94-G98 PolarHBondContact O-N 3.16Å; T95-G98 PolarHBondContact O-N 3.39Å; G98-G100 VanDerWaalsContact C-N 3.27Å; G98-G100 PolarHBondContact O-N 3.31Å; G98-F101 PolarHBondContact O-N 3.2Å; G98-I102 WeakPolarHBondContact O-CG1 3.44Å; G98-I102 PolarHBondContact O-N 2.93Å
99L93.5Very high92.6Very high71 Ų7155.1 Ų55.137%0.37228%0.283SS..Hα-helixtrans-62.6-35.6173.3-73.5172.5000111.6Y34 T95 F101 I102 I103Y34-L99 VanDerWaalsContact OH-CD2 3.31Å; Y34-L99 WeakPolarHBondContact OH-CD2 3.29Å; T95-L99 VanDerWaalsContact O-CB 3.31Å; T95-L99 WeakPolarHBondContact O-CB 3.22Å; T95-L99 VanDerWaalsContact O-CG 3.24Å; T95-L99 WeakPolarHBondContact O-CG 3.21Å; T95-L99 PolarHBondContact O-N 3.18Å; L99-F101 VanDerWaalsContact C-N 3.33Å; L99-F101 PolarHBondContact O-N 3.39Å; L99-I102 HydrophobicContact CD2-CD1 4.5Å; L99-I102 PolarHBondContact O-N 2.97Å; L99-I102 VanDerWaalsContact O-N 3.14Å; L99-I103 VanDerWaalsContact O-CG1 3.27Å; L99-I103 WeakPolarHBondContact O-CG1 3.32Å; L99-I103 PolarHBondContact O-N 3.38Å
100G95.5Very high92.1Very high0 Ų058.7 Ų58.70%030%0.302CS..Hα-helixtrans-54.9-46.4172.700000112.3M96 G97 G98 I102 I103 L104M96-G100 PolarHBondContact O-N 3.47Å; G97-G100 WeakPolarHBondContact O-CA 3.4Å; G97-G100 PolarHBondContact O-N 3.41Å; G97-G100 VanDerWaalsContact O-N 3.16Å; G98-G100 VanDerWaalsContact C-N 3.27Å; G98-G100 PolarHBondContact O-N 3.31Å; G100-I102 PolarHBondContact O-N 3.42Å; G100-I103 PolarHBondContact O-N 2.98Å; G100-L104 WeakPolarHBondContact O-CG 3.32Å; G100-L104 PolarHBondContact O-N 3.22Å
101F94.5Very high91.7Very high130 Ų13065.5 Ų65.557%0.5734%0.338SS*.Hα-helixtrans-63.6-38.7175-73.3-67.4000113.1G97 G98 L99 L104 D105 V128G97-F101 VanDerWaalsContact O-CD2 3.32Å; G97-F101 WeakPolarHBondContact O-CD2 3.35Å; G97-F101 PolarHBondContact O-N 3.18Å; G98-F101 PolarHBondContact O-N 3.2Å; L99-F101 VanDerWaalsContact C-N 3.33Å; L99-F101 PolarHBondContact O-N 3.39Å; F101-L104 HydrophobicContact CD1-CD1 4.46Å; F101-L104 PolarHBondContact O-N 2.97Å; F101-D105 PolarHBondContact O-N 2.93Å; F101-V128 HydrophobicContact CD1-CG2 4.1Å; F101-V128 HydrophobicContact CD2-CG2 4.07Å; F101-V128 HydrophobicContact CE1-CG1 4.14Å; F101-V128 HydrophobicContact CE1-CG2 4.05Å; F101-V128 HydrophobicContact CE2-CG1 4.12Å; F101-V128 HydrophobicContact CE2-CG2 4.02Å; F101-V128 HydrophobicContact CG-CG2 4.11Å; F101-V128 HydrophobicContact CZ-CG1 3.67Å; F101-V128 HydrophobicContact CZ-CG2 4.01Å
102I92.9Very high91.3Very high79 Ų7967 Ų6741%0.40535%0.345SS..Hα-helixtrans-67.5-38.3177.8-63.5171.5000110.9Y34 G98 L99 G100 D105 R106Y34-I102 HydrophobicContact CE2-CD1 3.87Å; Y34-I102 WeakPolarHBondContact OH-CD1 3.18Å; G98-I102 WeakPolarHBondContact O-CG1 3.44Å; G98-I102 PolarHBondContact O-N 2.93Å; L99-I102 HydrophobicContact CD2-CD1 4.5Å; L99-I102 PolarHBondContact O-N 2.97Å; L99-I102 VanDerWaalsContact O-N 3.14Å; G100-I102 PolarHBondContact O-N 3.42Å; I102-D105 PolarHBondContact O-N 3.02Å; I102-R106 WeakPolarHBondContact O-CB 3.34Å; I102-R106 PolarHBondContact O-N 3.19Å
103I93Very high91.1Very high48 Ų4865.4 Ų65.425%0.24635%0.347CS..Hα-helixtrans-64.7-41.5174.6-69165.8000110.6L99 G100 R106 S107 L120L99-I103 VanDerWaalsContact O-CG1 3.27Å; L99-I103 WeakPolarHBondContact O-CG1 3.32Å; L99-I103 PolarHBondContact O-N 3.38Å; G100-I103 PolarHBondContact O-N 2.98Å; I103-R106 PolarHBondContact O-N 2.9Å; I103-S107 PolarHBondContact O-N 2.86Å; I103-L120 HydrophobicContact CG2-CB 4.28Å; I103-L120 HydrophobicContact CG2-CD2 3.98Å; I103-L120 WeakPolarHBondContact CG2-O 3.42Å
104L93.9Very high90.9Very high40 Ų4073.8 Ų73.821%0.20938%0.382CS..Hα-helixtrans-61.8-44.9175-71.9174.2000111.6G100 F101 R106 S107 N108 L121 V128G100-L104 WeakPolarHBondContact O-CG 3.32Å; G100-L104 PolarHBondContact O-N 3.22Å; F101-L104 HydrophobicContact CD1-CD1 4.46Å; F101-L104 PolarHBondContact O-N 2.97Å; L104-R106 PolarHBondContact O-N 3.38Å; L104-S107 WeakPolarHBondContact O-CB 3.47Å; L104-S107 PolarHBondContact O-N 3.14Å; L104-S107 PolarHBondContact O-OG 2.86Å; L104-N108 PolarHBondContact O-ND2 2.9Å; L104-L121 HydrophobicContact CD2-CD2 4.03Å; L104-L121 WeakPolarHBondContact CD2-O 3.41Å; L104-V128 HydrophobicContact CD1-CG2 4.15Å
105D91.5Very high90.8Very high119 Ų11975.2 Ų75.264%0.63639%0.393SS*.Hα-helixtrans-62.3-44.3175-175.959.7000111.5F101 I102 S107 N108F101-D105 PolarHBondContact O-N 2.93Å; I102-D105 PolarHBondContact O-N 3.02Å; D105-S107 PolarHBondContact O-N 3.42Å; D105-N108 WeakPolarHBondContact O-CB 3.09Å; D105-N108 PolarHBondContact O-N 2.67Å
106R89.3Confident90.7Very high167 Ų16778.3 Ų78.363%0.6341%0.409SS*.Hα-helixtrans-61.7-32.6178.1-173.157.3173.9166.4-0112.7I102 I103 L104 N108 A109 I112I102-R106 WeakPolarHBondContact O-CB 3.34Å; I102-R106 PolarHBondContact O-N 3.19Å; I103-R106 PolarHBondContact O-N 2.9Å; L104-R106 PolarHBondContact O-N 3.38Å; R106-N108 PolarHBondContact O-N 3.21Å; R106-A109 WeakPolarHBondContact O-CB 3.34Å; R106-A109 PolarHBondContact O-N 3.47Å; R106-A109 VanDerWaalsContact O-N 3.14Å; R106-I112 WeakPolarHBondContact O-CD1 3.4Å
107S89Confident90.6Very high0 Ų080.7 Ų80.70%042%0.416CS..Hα-helixtrans-63.6-21.9177.981.80000113.3I103 L104 D105 A109 R117 L121I103-S107 PolarHBondContact O-N 2.86Å; L104-S107 WeakPolarHBondContact O-CB 3.47Å; L104-S107 PolarHBondContact O-N 3.14Å; L104-S107 PolarHBondContact O-OG 2.86Å; D105-S107 PolarHBondContact O-N 3.42Å; S107-A109 PolarHBondContact O-N 3.35Å; S107-R117 WeakPolarHBondContact O-CG 3.29Å; S107-L121 WeakPolarHBondContact OG-CD2 3.35Å; S107-L121 WeakPolarHBondContact OG-CG 3.45Å
108N87.2Confident90.4Very high112 Ų11287.1 Ų87.160%0.59944%0.443SS*.THydrogen-bonded Turntrans-78.2-4.9176.9-64.5-41.4000113.5L104 D105 R106L104-N108 PolarHBondContact O-ND2 2.9Å; D105-N108 WeakPolarHBondContact O-CB 3.09Å; D105-N108 PolarHBondContact O-N 2.67Å; R106-N108 PolarHBondContact O-N 3.21Å
109A87.2Confident90.4Very high20 Ų2089.2 Ų89.217%0.16545%0.446CS..  trans-63.5138.3-179.900000111.8R106 S107 N111 I112R106-A109 WeakPolarHBondContact O-CB 3.34Å; R106-A109 PolarHBondContact O-N 3.47Å; R106-A109 VanDerWaalsContact O-N 3.14Å; S107-A109 PolarHBondContact O-N 3.35Å; A109-N111 VanDerWaalsContact C-N 3.29Å; A109-N111 PolarHBondContact O-N 3.46Å; A109-I112 HydrophobicContact CB-CD1 3.86Å; A109-I112 HydrophobicContact CB-CG1 4.18Å
110P83.5Confident90.5Very high110 Ų11088.3 Ų88.371%0.71444%0.441SS*.THydrogen-bonded Turntrans-66-28.6-17023.3-33.4000113.8I112 R117P110-I112 PolarHBondContact O-N 3.3Å; P110-R117 PolarHBondContact O-NH2 3.13Å
111N84.5Confident90.4Very high159 Ų15991.7 Ų91.785%0.8546%0.459SS*.THydrogen-bonded Turntrans-92.320.1-169.4-65.1-19000114.9A109A109-N111 VanDerWaalsContact C-N 3.29Å; A109-N111 PolarHBondContact O-N 3.46Å
112I84.9Confident90.4Very high31 Ų3191.1 Ų91.116%0.15946%0.456CS..SBendtrans-99.4127.4-177.8-54.7176.9000110.2R106 A109 P110 N116 R117 L120R106-I112 WeakPolarHBondContact O-CD1 3.4Å; A109-I112 HydrophobicContact CB-CD1 3.86Å; A109-I112 HydrophobicContact CB-CG1 4.18Å; P110-I112 PolarHBondContact O-N 3.3Å; I112-N116 HydrophobicContact CG2-CB 3.66Å; I112-R117 HydrophobicContact CG2-CB 4.11Å; I112-L120 HydrophobicContact CD1-CD1 4Å; I112-L120 HydrophobicContact CG2-CD1 4.35Å
113P90.6Very high90.5Very high81 Ų8191.2 Ų91.253%0.52646%0.457SS..  trans-52.9146.2172.5-25.533.6000112.3L115 N116 R117P113-L115 VanDerWaalsContact C-N 3.3Å; P113-L115 PolarHBondContact O-N 3.27Å; P113-N116 PolarHBondContact O-N 3.37Å; P113-N116 VanDerWaalsContact O-N 3.1Å; P113-R117 PolarHBondContact O-N 3.41Å
114K88.5Confident90.7Very high194 Ų19489 Ų8984%0.84345%0.445SS*.Hα-helixtrans-52.9-43.2-173.4-67.2-175.9-179.9-179.90113.4R117 F118K114-R117 PolarHBondContact O-N 3.07Å; K114-F118 PolarHBondContact O-N 3.11Å
115L90.2Very high90.7Very high121 Ų12192.6 Ų92.663%0.63446%0.46SS*.Hα-helixtrans-63.2-50.4178.5-176.868.1000111.6P113 R117 F118 L119P113-L115 VanDerWaalsContact C-N 3.3Å; P113-L115 PolarHBondContact O-N 3.27Å; L115-R117 VanDerWaalsContact C-N 3.26Å; L115-R117 PolarHBondContact O-N 3.25Å; L115-F118 PolarHBondContact O-N 2.94Å; L115-F118 VanDerWaalsContact O-N 3.15Å; L115-L119 HydrophobicContact CG-CD1 4.15Å; L115-L119 WeakPolarHBondContact O-CG 3.5Å; L115-L119 PolarHBondContact O-N 3.14Å
116N91.2Very high90.9Very high83 Ų8389.9 Ų89.944%0.44445%0.447SS..Hα-helixtrans-63-36.3-179.6-67.213.1000111.5I112 P113 L119 L120I112-N116 HydrophobicContact CG2-CB 3.66Å; P113-N116 PolarHBondContact O-N 3.37Å; P113-N116 VanDerWaalsContact O-N 3.1Å; N116-L119 PolarHBondContact O-N 3.43Å; N116-L120 WeakPolarHBondContact O-CB 3.26Å; N116-L120 VanDerWaalsContact O-CG 3.24Å; N116-L120 WeakPolarHBondContact O-CG 3.4Å; N116-L120 PolarHBondContact O-N 3.16Å
117R92Very high91.3Very high93 Ų9383.1 Ų83.135%0.35143%0.425SS..Hα-helixtrans-60.4-49.1173.6-176.9-180-54.2-161.41.7111.4S107 P110 I112 P113 K114 L115 L119 L120 L121S107-R117 WeakPolarHBondContact O-CG 3.29Å; P110-R117 PolarHBondContact O-NH2 3.13Å; I112-R117 HydrophobicContact CG2-CB 4.11Å; P113-R117 PolarHBondContact O-N 3.41Å; K114-R117 PolarHBondContact O-N 3.07Å; L115-R117 VanDerWaalsContact C-N 3.26Å; L115-R117 PolarHBondContact O-N 3.25Å; R117-L119 VanDerWaalsContact C-N 3.35Å; R117-L119 PolarHBondContact O-N 3.02Å; R117-L120 PolarHBondContact O-N 3.45Å; R117-L121 HydrophobicContact CG-CD1 4.2Å; R117-L121 WeakPolarHBondContact O-CB 3.39Å; R117-L121 WeakPolarHBondContact O-CG 3.49Å; R117-L121 PolarHBondContact O-N 3.33Å
118F92.3Very high91.6Very high137 Ų13784.4 Ų84.460%0.60143%0.433SS*.Hα-helixtrans-61.4-43.6177.9-179.5-99.1000111.8K114 L115 L121 F122K114-F118 PolarHBondContact O-N 3.11Å; L115-F118 PolarHBondContact O-N 2.94Å; L115-F118 VanDerWaalsContact O-N 3.15Å; F118-L121 PolarHBondContact O-N 2.95Å; F118-F122 WeakPolarHBondContact O-CB 3.41Å; F118-F122 PolarHBondContact O-N 3.25Å
119L93.8Very high92Very high78 Ų7882.2 Ų82.241%0.40842%0.421SS..Hα-helixtrans-62-44.9176.8-68.4174000112.1L115 N116 R117 F122 I123L115-L119 HydrophobicContact CG-CD1 4.15Å; L115-L119 WeakPolarHBondContact O-CG 3.5Å; L115-L119 PolarHBondContact O-N 3.14Å; N116-L119 PolarHBondContact O-N 3.43Å; R117-L119 VanDerWaalsContact C-N 3.35Å; R117-L119 PolarHBondContact O-N 3.02Å; L119-F122 PolarHBondContact O-N 2.88Å; L119-I123 WeakPolarHBondContact O-CB 3.23Å; L119-I123 WeakPolarHBondContact O-CD1 3.41Å; L119-I123 WeakPolarHBondContact O-CG1 3.4Å; L119-I123 PolarHBondContact O-N 3.27Å
120L94.1Very high92.3Very high53 Ų5384.5 Ų84.528%0.27743%0.43SS..Hα-helixtrans-63.6-42.8177.3-72.3169.2000111.8I103 I112 N116 R117 I123 G124I103-L120 HydrophobicContact CG2-CB 4.28Å; I103-L120 HydrophobicContact CG2-CD2 3.98Å; I103-L120 WeakPolarHBondContact CG2-O 3.42Å; I112-L120 HydrophobicContact CD1-CD1 4Å; I112-L120 HydrophobicContact CG2-CD1 4.35Å; N116-L120 WeakPolarHBondContact O-CB 3.26Å; N116-L120 VanDerWaalsContact O-CG 3.24Å; N116-L120 WeakPolarHBondContact O-CG 3.4Å; N116-L120 PolarHBondContact O-N 3.16Å; R117-L120 PolarHBondContact O-N 3.45Å; L120-I123 PolarHBondContact O-N 3.37Å; L120-G124 PolarHBondContact O-N 2.99Å
121L94.2Very high92.9Very high70 Ų7080 Ų8037%0.36640%0.401SS..Hα-helixtrans-59-47.9174.5-78.8169.1000111.2L104 S107 R117 F118 F125L104-L121 HydrophobicContact CD2-CD2 4.03Å; L104-L121 WeakPolarHBondContact CD2-O 3.41Å; S107-L121 WeakPolarHBondContact OG-CD2 3.35Å; S107-L121 WeakPolarHBondContact OG-CG 3.45Å; R117-L121 HydrophobicContact CG-CD1 4.2Å; R117-L121 WeakPolarHBondContact O-CB 3.39Å; R117-L121 WeakPolarHBondContact O-CG 3.49Å; R117-L121 PolarHBondContact O-N 3.33Å; F118-L121 PolarHBondContact O-N 2.95Å; L121-F125 WeakPolarHBondContact O-CB 3.34Å; L121-F125 PolarHBondContact O-N 3.45Å
122F95Very high93.3Very high118 Ų11877 Ų7752%0.51838%0.381SS..Hα-helixtrans-62.9-48.2180-176.7-102.1000111.9F118 L119 F125 V126F118-F122 WeakPolarHBondContact O-CB 3.41Å; F118-F122 PolarHBondContact O-N 3.25Å; L119-F122 PolarHBondContact O-N 2.88Å; F122-F125 PolarHBondContact O-N 3.39Å; F122-V126 HydrophobicContact CD1-CG2 4.31Å; F122-V126 HydrophobicContact CE1-CG2 3.96Å; F122-V126 HydrophobicContact CE2-CG2 4.22Å; F122-V126 HydrophobicContact CZ-CG2 3.91Å; F122-V126 WeakPolarHBondContact O-CB 3.31Å; F122-V126 VanDerWaalsContact O-CG2 3.28Å; F122-V126 WeakPolarHBondContact O-CG2 3.34Å; F122-V126 PolarHBondContact O-N 2.95Å
123I95.8Very high93.8Very high82 Ų8281 Ų8142%0.42140%0.397SS..Hα-helixtrans-62.5-48.4179-68.3164.2000110.6L119 L120 F125 V126 C127L119-I123 WeakPolarHBondContact O-CB 3.23Å; L119-I123 WeakPolarHBondContact O-CD1 3.41Å; L119-I123 WeakPolarHBondContact O-CG1 3.4Å; L119-I123 PolarHBondContact O-N 3.27Å; L120-I123 PolarHBondContact O-N 3.37Å; I123-F125 VanDerWaalsContact C-N 3.31Å; I123-F125 PolarHBondContact O-N 3.37Å; I123-V126 PolarHBondContact O-N 2.86Å; I123-C127 WeakPolarHBondContact O-CB 3.14Å; I123-C127 PolarHBondContact O-N 2.86Å; I123-C127 PolarHBondContact O-SG 3.07Å; I123-C127 VanDerWaalsContact O-SG 3.35Å
124G95.1Very high93.9Very high0 Ų080.6 Ų80.60%039%0.389CS..Hα-helixtrans-59.7-42.8178.600000112L120 C127 V128L120-G124 PolarHBondContact O-N 2.99Å; G124-C127 PolarHBondContact O-N 2.69Å; G124-V128 WeakPolarHBondContact O-CG2 3.36Å; G124-V128 PolarHBondContact O-N 2.85Å
125F95.4Very high94Very high117 Ų11772.6 Ų72.651%0.51336%0.359SS..Hα-helixtrans-63.7-45.3176.5-175.4-106.1000112.3L121 F122 I123 V128 L129L121-F125 WeakPolarHBondContact O-CB 3.34Å; L121-F125 PolarHBondContact O-N 3.45Å; F122-F125 PolarHBondContact O-N 3.39Å; I123-F125 VanDerWaalsContact C-N 3.31Å; I123-F125 PolarHBondContact O-N 3.37Å; F125-V128 PolarHBondContact O-N 3.4Å; F125-L129 HydrophobicContact CD1-CD1 3.84Å; F125-L129 HydrophobicContact CD1-CG 4.41Å; F125-L129 HydrophobicContact CE1-CD1 3.26Å; F125-L129 HydrophobicContact CE1-CG 4.08Å; F125-L129 HydrophobicContact CE2-CD1 4.38Å; F125-L129 HydrophobicContact CE2-CG 4.43Å; F125-L129 HydrophobicContact CZ-CD1 3.58Å; F125-L129 HydrophobicContact CZ-CD2 4.45Å; F125-L129 HydrophobicContact CZ-CG 4.09Å; F125-L129 WeakPolarHBondContact O-CG 3.38Å; F125-L129 PolarHBondContact O-N 2.92Å
126V96.1Very high94Very high62 Ų6273.9 Ų73.938%0.37636%0.356SS..Hα-helixtrans-62.4-43.6176.3169.80000111.2F122 I123 V128 L129 L130F122-V126 HydrophobicContact CD1-CG2 4.31Å; F122-V126 HydrophobicContact CE1-CG2 3.96Å; F122-V126 HydrophobicContact CE2-CG2 4.22Å; F122-V126 HydrophobicContact CZ-CG2 3.91Å; F122-V126 WeakPolarHBondContact O-CB 3.31Å; F122-V126 VanDerWaalsContact O-CG2 3.28Å; F122-V126 WeakPolarHBondContact O-CG2 3.34Å; F122-V126 PolarHBondContact O-N 2.95Å; I123-V126 PolarHBondContact O-N 2.86Å; V126-V128 PolarHBondContact O-N 2.81Å; V126-L129 PolarHBondContact O-N 3.45Å; V126-L130 WeakPolarHBondContact O-CB 3.25Å; V126-L130 PolarHBondContact O-N 2.85Å
127C96Very high93.9Very high24 Ų2472.9 Ų72.916%0.16235%0.352CS..Hα-helixtrans-59.3-45.7176.9-750000112M96 I123 G124 S131M96-C127 HydrophobicContact CG-CB 4.23Å; I123-C127 WeakPolarHBondContact O-CB 3.14Å; I123-C127 PolarHBondContact O-N 2.86Å; I123-C127 PolarHBondContact O-SG 3.07Å; I123-C127 VanDerWaalsContact O-SG 3.35Å; G124-C127 PolarHBondContact O-N 2.69Å; C127-S131 WeakPolarHBondContact O-CB 3.24Å; C127-S131 PolarHBondContact O-N 3.07Å; C127-S131 PolarHBondContact O-OG 2.82Å
128V95.4Very high93.8Very high28 Ų2870.1 Ų70.117%0.1734%0.343CS..Hα-helixtrans-63-49.1177.3173.50000110.8F101 L104 G124 F125 V126 L130 S131 F132F101-V128 HydrophobicContact CD1-CG2 4.1Å; F101-V128 HydrophobicContact CD2-CG2 4.07Å; F101-V128 HydrophobicContact CE1-CG1 4.14Å; F101-V128 HydrophobicContact CE1-CG2 4.05Å; F101-V128 HydrophobicContact CE2-CG1 4.12Å; F101-V128 HydrophobicContact CE2-CG2 4.02Å; F101-V128 HydrophobicContact CG-CG2 4.11Å; F101-V128 HydrophobicContact CZ-CG1 3.67Å; F101-V128 HydrophobicContact CZ-CG2 4.01Å; L104-V128 HydrophobicContact CD1-CG2 4.15Å; G124-V128 WeakPolarHBondContact O-CG2 3.36Å; G124-V128 PolarHBondContact O-N 2.85Å; F125-V128 PolarHBondContact O-N 3.4Å; V126-V128 PolarHBondContact O-N 2.81Å; V128-L130 PolarHBondContact O-N 3.19Å; V128-S131 PolarHBondContact O-N 3.21Å; V128-S131 PolarHBondContact O-OG 2.98Å; V128-F132 PolarHBondContact O-N 2.65Å
129L95.7Very high93.6Very high65 Ų6567.4 Ų67.434%0.3433%0.333SS..Hα-helixtrans-61.4-45.5178.7-75.5-174.8000112.6F125 V126 S131 F132 F133F125-L129 HydrophobicContact CD1-CD1 3.84Å; F125-L129 HydrophobicContact CD1-CG 4.41Å; F125-L129 HydrophobicContact CE1-CD1 3.26Å; F125-L129 HydrophobicContact CE1-CG 4.08Å; F125-L129 HydrophobicContact CE2-CD1 4.38Å; F125-L129 HydrophobicContact CE2-CG 4.43Å; F125-L129 HydrophobicContact CZ-CD1 3.58Å; F125-L129 HydrophobicContact CZ-CD2 4.45Å; F125-L129 HydrophobicContact CZ-CG 4.09Å; F125-L129 WeakPolarHBondContact O-CG 3.38Å; F125-L129 PolarHBondContact O-N 2.92Å; V126-L129 PolarHBondContact O-N 3.45Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 3.01Å; L129-F132 WeakPolarHBondContact O-CB 3.47Å; L129-F132 PolarHBondContact O-N 3.38Å; L129-F133 HydrophobicContact CB-CD2 4.41Å; L129-F133 HydrophobicContact CB-CE2 4.33Å; L129-F133 HydrophobicContact CD2-CE2 4.35Å; L129-F133 WeakPolarHBondContact O-CD2 3.47Å; L129-F133 PolarHBondContact O-N 3.3Å
130L95.1Very high93.3Very high68 Ų6869.2 Ų69.236%0.35634%0.335SS..Hα-helixtrans-60.4-45.6179.1-174.567000110.6M96 V126 V128 F132 F133 M134M96-L130 HydrophobicContact SD-CD2 4Å; V126-L130 WeakPolarHBondContact O-CB 3.25Å; V126-L130 PolarHBondContact O-N 2.85Å; V128-L130 PolarHBondContact O-N 3.19Å; L130-F132 VanDerWaalsContact C-N 3.29Å; L130-F132 PolarHBondContact O-N 3.44Å; L130-F133 PolarHBondContact O-N 3.4Å; L130-M134 HydrophobicContact CD1-CE 3.68Å; L130-M134 HydrophobicContact CD1-CG 4.03Å; L130-M134 HydrophobicContact CG-CG 4.2Å; L130-M134 VanDerWaalsContact O-CB 3.29Å; L130-M134 WeakPolarHBondContact O-CB 3.35Å; L130-M134 WeakPolarHBondContact O-CG 3.32Å; L130-M134 PolarHBondContact O-N 2.82Å
131S94.7Very high92.8Very high16 Ų1671.2 Ų71.211%0.11234%0.343CS..Hα-helixtrans-59.5-40.3176.973.40000112.2L93 G97 C127 V128 L129 A135L93-S131 WeakPolarHBondContact O-CB 3.37Å; G97-S131 VanDerWaalsContact CA-OG 3.29Å; G97-S131 WeakPolarHBondContact CA-OG 3.32Å; C127-S131 WeakPolarHBondContact O-CB 3.24Å; C127-S131 PolarHBondContact O-N 3.07Å; C127-S131 PolarHBondContact O-OG 2.82Å; V128-S131 PolarHBondContact O-N 3.21Å; V128-S131 PolarHBondContact O-OG 2.98Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 3.01Å; S131-A135 VanDerWaalsContact O-CB 3.22Å; S131-A135 WeakPolarHBondContact O-CB 3.36Å; S131-A135 PolarHBondContact O-N 3.37Å
132F93.4Very high92.5Very high96 Ų9669 Ų6942%0.42133%0.331SS..Hα-helixtrans-67-48.4178.8175.4-100000112.6V128 L129 L130 A135 R136V128-F132 PolarHBondContact O-N 2.65Å; L129-F132 WeakPolarHBondContact O-CB 3.47Å; L129-F132 PolarHBondContact O-N 3.38Å; L130-F132 VanDerWaalsContact C-N 3.29Å; L130-F132 PolarHBondContact O-N 3.44Å; F132-A135 PolarHBondContact O-N 3.1Å; F132-R136 VanDerWaalsContact CZ-NE 3.27Å; F132-R136 VanDerWaalsContact CZ-NH2 3.32Å; F132-R136 PolarHBondContact O-N 3.03Å; F132-R136 VanDerWaalsContact O-N 3.13Å
133F94.5Very high92Very high115 Ų11565.6 Ų65.650%0.50432%0.318SS..Hα-helixtrans-66-42.6178.3-73.5-62.9000111.7L129 L130 R136 V137L129-F133 HydrophobicContact CB-CD2 4.41Å; L129-F133 HydrophobicContact CB-CE2 4.33Å; L129-F133 HydrophobicContact CD2-CE2 4.35Å; L129-F133 WeakPolarHBondContact O-CD2 3.47Å; L129-F133 PolarHBondContact O-N 3.3Å; L130-F133 PolarHBondContact O-N 3.4Å; F133-R136 WeakPolarHBondContact O-CB 3.42Å; F133-R136 PolarHBondContact O-N 3.5Å; F133-V137 WeakPolarHBondContact O-CG2 3.48Å; F133-V137 PolarHBondContact O-N 3Å
134M92.9Very high91.3Very high72 Ų7264.6 Ų64.636%0.35532%0.317SS..Hα-helixtrans-66.8-37.9178.5-67.3-65.1167.800112.1L93 L130 R136 V137 F138L93-M134 HydrophobicContact CD1-CB 3.47Å; L93-M134 VanDerWaalsContact CD1-CB 3.47Å; L93-M134 HydrophobicContact CD1-CG 4.32Å; L93-M134 HydrophobicContact CD2-CB 3.82Å; L93-M134 HydrophobicContact CD2-CG 3.97Å; L93-M134 HydrophobicContact CG-CB 4.24Å; L130-M134 HydrophobicContact CD1-CE 3.68Å; L130-M134 HydrophobicContact CD1-CG 4.03Å; L130-M134 HydrophobicContact CG-CG 4.2Å; L130-M134 VanDerWaalsContact O-CB 3.29Å; L130-M134 WeakPolarHBondContact O-CB 3.35Å; L130-M134 WeakPolarHBondContact O-CG 3.32Å; L130-M134 PolarHBondContact O-N 2.82Å; M134-R136 VanDerWaalsContact C-N 3.29Å; M134-R136 PolarHBondContact O-N 3.41Å; M134-V137 WeakPolarHBondContact O-CB 3.35Å; M134-V137 PolarHBondContact O-N 3Å; M134-V137 VanDerWaalsContact O-N 3.16Å; M134-F138 WeakPolarHBondContact O-CD1 3.17Å; M134-F138 WeakPolarHBondContact O-CG 3.29Å; M134-F138 PolarHBondContact O-N 2.75Å
135A90.8Very high90.3Very high26 Ų2666.4 Ų66.422%0.21534%0.336CS..Hα-helixtrans-59.7-40.617200000111.7F94 S131 F132 F138 M139F94-A135 HydrophobicContact CE1-CB 4.15Å; S131-A135 VanDerWaalsContact O-CB 3.22Å; S131-A135 WeakPolarHBondContact O-CB 3.36Å; S131-A135 PolarHBondContact O-N 3.37Å; F132-A135 PolarHBondContact O-N 3.1Å; A135-F138 PolarHBondContact O-N 2.97Å; A135-M139 VanDerWaalsContact O-CG 3.31Å; A135-M139 WeakPolarHBondContact O-CG 3.18Å; A135-M139 PolarHBondContact O-N 2.86Å
136R90.8Very high89.1Confident149 Ų14966 Ų6656%0.56233%0.331SS*.Hα-helixtrans-64.8-40.8173.8-73.9-169.6172.1-167.9-3.6112.6F132 F133 M134 F138 M139 R140F132-R136 VanDerWaalsContact CZ-NE 3.27Å; F132-R136 VanDerWaalsContact CZ-NH2 3.32Å; F132-R136 PolarHBondContact O-N 3.03Å; F132-R136 VanDerWaalsContact O-N 3.13Å; F133-R136 WeakPolarHBondContact O-CB 3.42Å; F133-R136 PolarHBondContact O-N 3.5Å; M134-R136 VanDerWaalsContact C-N 3.29Å; M134-R136 PolarHBondContact O-N 3.41Å; R136-F138 VanDerWaalsContact C-N 3.34Å; R136-M139 PolarHBondContact O-N 3.06Å; R136-R140 WeakPolarHBondContact O-CG 3.41Å; R136-R140 PolarHBondContact O-N 2.82Å
137V89.4Confident87.7Confident61 Ų6168.9 Ų68.937%0.3734%0.344SS..Hα-helixtrans-61.5-45175.1171.90000110.4F133 M134 M139 R140 M141F133-V137 WeakPolarHBondContact O-CG2 3.48Å; F133-V137 PolarHBondContact O-N 3Å; M134-V137 WeakPolarHBondContact O-CB 3.35Å; M134-V137 PolarHBondContact O-N 3Å; M134-V137 VanDerWaalsContact O-N 3.16Å; V137-M139 PolarHBondContact O-N 3.02Å; V137-R140 PolarHBondContact O-N 2.9Å; V137-R140 VanDerWaalsContact O-N 3.16Å; V137-M141 HydrophobicContact CG1-CE 3.45Å; V137-M141 VanDerWaalsContact CG1-CE 3.45Å; V137-M141 HydrophobicContact CG1-CG 4.39Å; V137-M141 HydrophobicContact CG1-SD 3.93Å; V137-M141 WeakPolarHBondContact O-CG 3.43Å; V137-M141 PolarHBondContact O-N 2.8Å
138F89.2Confident86.3Confident36 Ų3674.6 Ų74.616%0.15837%0.37CS..Hα-helixtrans-63.2-41.6178.4-76.313000111.7F74 A89 L93 M134 A135 R136 R140 M141 K142F74-F138 HydrophobicContact CE1-CB 4.07Å; F74-F138 AromaticContact CE1-CD1 3.94Å; F74-F138 HydrophobicContact CE1-CD1 3.94Å; F74-F138 AromaticContact CE1-CD2 3.87Å; F74-F138 HydrophobicContact CE1-CD2 3.87Å; F74-F138 HydrophobicContact CE1-CE1 4.34Å; F74-F138 HydrophobicContact CE1-CE2 4.22Å; F74-F138 AromaticContact CE1-CG 3.71Å; F74-F138 HydrophobicContact CE1-CG 3.71Å; F74-F138 HydrophobicContact CE1-CZ 4.47Å; F74-F138 HydrophobicContact CE2-CD1 4.29Å; F74-F138 HydrophobicContact CE2-CE1 4.07Å; F74-F138 HydrophobicContact CE2-CZ 4.37Å; F74-F138 HydrophobicContact CZ-CB 4.46Å; F74-F138 AromaticContact CZ-CD1 3.46Å; F74-F138 HydrophobicContact CZ-CD1 3.46Å; F74-F138 VanDerWaalsContact CZ-CD1 3.46Å; F74-F138 AromaticContact CZ-CD2 3.78Å; F74-F138 HydrophobicContact CZ-CD2 3.78Å; F74-F138 AromaticContact CZ-CE1 3.44Å; F74-F138 HydrophobicContact CZ-CE1 3.44Å; F74-F138 VanDerWaalsContact CZ-CE1 3.44Å; F74-F138 AromaticContact CZ-CE2 3.7Å; F74-F138 HydrophobicContact CZ-CE2 3.7Å; F74-F138 AromaticContact CZ-CG 3.65Å; F74-F138 HydrophobicContact CZ-CG 3.65Å; F74-F138 AromaticContact CZ-CZ 3.56Å; F74-F138 HydrophobicContact CZ-CZ 3.56Å; A89-F138 HydrophobicContact CB-CE2 3.99Å; A89-F138 HydrophobicContact CB-CZ 3.97Å; L93-F138 HydrophobicContact CD1-CD2 3.95Å; L93-F138 HydrophobicContact CD1-CE1 3.97Å; L93-F138 HydrophobicContact CD1-CE2 3.28Å; L93-F138 HydrophobicContact CD1-CZ 3.26Å; L93-F138 HydrophobicContact CG-CE2 4.48Å; M134-F138 WeakPolarHBondContact O-CD1 3.17Å; M134-F138 WeakPolarHBondContact O-CG 3.29Å; M134-F138 PolarHBondContact O-N 2.75Å; A135-F138 PolarHBondContact O-N 2.97Å; R136-F138 VanDerWaalsContact C-N 3.34Å; F138-R140 VanDerWaalsContact C-N 3.34Å; F138-R140 PolarHBondContact O-N 3.45Å; F138-M141 HydrophobicContact CD1-SD 4.48Å; F138-M141 PolarHBondContact O-N 2.87Å; F138-K142 WeakPolarHBondContact O-CB 3.36Å; F138-K142 PolarHBondContact O-N 3.37Å
139M88.2Confident84.4Confident79 Ų7979.7 Ų79.739%0.38943%0.429SS..Hα-helixtrans-61.7-41174.1-72.2-59.9-65.400112.2A135 R136 V137 L143 Y146A135-M139 VanDerWaalsContact O-CG 3.31Å; A135-M139 WeakPolarHBondContact O-CG 3.18Å; A135-M139 PolarHBondContact O-N 2.86Å; R136-M139 PolarHBondContact O-N 3.06Å; V137-M139 PolarHBondContact O-N 3.02Å; M139-L143 HydrophobicContact CE-CD1 4.38Å; M139-L143 PolarHBondContact O-N 2.98Å; M139-Y146 HydrophobicContact CB-CD1 4.26Å; M139-Y146 HydrophobicContact CE-CD1 3.94Å; M139-Y146 HydrophobicContact CE-CE1 3.6Å
140R86.8Confident83.9Confident117 Ų11780.5 Ų80.544%0.44243%0.433SS..Hα-helixtrans-67.4-35.3176.1-72.3-74.5-119.7-154.1-1.8112.7R136 V137 F138 L143 Y146 L147R136-R140 WeakPolarHBondContact O-CG 3.41Å; R136-R140 PolarHBondContact O-N 2.82Å; V137-R140 PolarHBondContact O-N 2.9Å; V137-R140 VanDerWaalsContact O-N 3.16Å; F138-R140 VanDerWaalsContact C-N 3.34Å; F138-R140 PolarHBondContact O-N 3.45Å; R140-L143 CarbonylContact O-C 3.44Å; R140-Y146 PolarHBondContact NH1-O 3.28Å; R140-L147 PolarHBondContact NH1-O 3.44Å
141M85.2Confident83.3Confident94 Ų9481.1 Ų81.146%0.46344%0.437SS..Hα-helixtrans-70.4-43.8175.3-71.8174.2175.100111.7F74 V137 F138F74-M141 HydrophobicContact CD1-CB 4.39Å; F74-M141 HydrophobicContact CD2-SD 4.07Å; F74-M141 HydrophobicContact CE2-SD 4.06Å; F74-M141 HydrophobicContact CG-CB 4.33Å; V137-M141 HydrophobicContact CG1-CE 3.45Å; V137-M141 VanDerWaalsContact CG1-CE 3.45Å; V137-M141 HydrophobicContact CG1-CG 4.39Å; V137-M141 HydrophobicContact CG1-SD 3.93Å; V137-M141 WeakPolarHBondContact O-CG 3.43Å; V137-M141 PolarHBondContact O-N 2.8Å; F138-M141 HydrophobicContact CD1-SD 4.48Å; F138-M141 PolarHBondContact O-N 2.87Å
142K86.4Confident82.6Confident25 Ų2584.7 Ų84.711%0.10946%0.455CS..Hα-helixtrans-70.2-39.5-179.8-171.1140.9-170.7164.10112.3Y77 G81 E86 F138Y77-K142 PolarHBondContact N-O 3.25Å; G81-K142 PolarHBondContact O-NZ 3.15Å; E86-K142 WeakPolarHBondContact OE1-CD 3.45Å; E86-K142 WeakPolarHBondContact OE1-CE 3.47Å; E86-K142 IonicContact OE1-NZ 3.94Å; E86-K142 PolarHBondContact OE1-NZ 3.42Å; E86-K142 IonicContact OE2-NZ 2.65Å; F138-K142 WeakPolarHBondContact O-CB 3.36Å; F138-K142 PolarHBondContact O-N 3.37Å
143L86.2Confident82Confident45 Ų4584.1 Ų84.124%0.23646%0.457CS..SBendtrans-126.984.1179.3-68.2170.6000111.1V79 M139 R140 G145 Y146V79-L143 HydrophobicContact CG1-CD1 4.48Å; V79-L143 HydrophobicContact CG2-CD2 3.91Å; M139-L143 HydrophobicContact CE-CD1 4.38Å; M139-L143 PolarHBondContact O-N 2.98Å; R140-L143 CarbonylContact O-C 3.44Å; L143-G145 PolarHBondContact O-N 2.96Å; L143-Y146 HydrophobicContact CB-CG 4.42Å; L143-Y146 HydrophobicContact CD1-CD2 4.15Å; L143-Y146 HydrophobicContact CD1-CG 4.38Å; L143-Y146 VanDerWaalsContact O-CB 3.32Å; L143-Y146 WeakPolarHBondContact O-CB 3.25Å; L143-Y146 PolarHBondContact O-N 3.1Å
144P79.9Confident81.2Confident62 Ų6282.1 Ų82.140%0.40345%0.454SS..THydrogen-bonded Turntrans-62.1108.8172.9-19.732.9000109.5Y77Y77-P144 HydrophobicContact CE1-CB 4.16Å; Y77-P144 HydrophobicContact CE1-CG 3.9Å; Y77-P144 HydrophobicContact CE2-CG 4.21Å
145G75.2Confident80.5Confident38 Ų3882.8 Ų82.839%0.39246%0.461SS..THydrogen-bonded Turntrans118.5-11.3-173.600000114.7L143 L147L143-G145 PolarHBondContact O-N 2.96Å; G145-L147 PolarHBondContact O-N 3.32Å
146Y70.1Confident79.7Confident108 Ų10886.9 Ų86.942%0.42448%0.478SS..THydrogen-bonded Turntrans-66.8125.8176-172-109.5000111.1M139 R140 L143M139-Y146 HydrophobicContact CB-CD1 4.26Å; M139-Y146 HydrophobicContact CE-CD1 3.94Å; M139-Y146 HydrophobicContact CE-CE1 3.6Å; R140-Y146 PolarHBondContact NH1-O 3.28Å; L143-Y146 HydrophobicContact CB-CG 4.42Å; L143-Y146 HydrophobicContact CD1-CD2 4.15Å; L143-Y146 HydrophobicContact CD1-CG 4.38Å; L143-Y146 VanDerWaalsContact O-CB 3.32Å; L143-Y146 WeakPolarHBondContact O-CB 3.25Å; L143-Y146 PolarHBondContact O-N 3.1Å
147L64.9Low78.9Confident122 Ų12282.1 Ų82.164%0.63947%0.472SS*.THydrogen-bonded Turntrans58.147.1-177-58.6169.9000114.2R140 G145R140-L147 PolarHBondContact NH1-O 3.44Å; G145-L147 PolarHBondContact O-N 3.32Å
148M68.5Low78Confident144 Ų14483.8 Ų83.871%0.70948%0.48SS*.  trans-91.5-0.1167.7-74.5-171.4167.900114
149G55.3Low77Confident136 Ų13688.2 Ų88.2100%1.40251%0.51SS*.  trans-90.40169.200000110.9

Retrieved 149 of 149 residues in 26.7 ms (Link to these results)

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