A0A077ZJ00_TRITR Loading...

CENP-B N and HTH Tnp Tc5 domain containing protei n

AlphaFold DB , UniProt , Accession A0A077ZJ00, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 302 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M47.1Very low50Low248 Ų248148 Ų148100%1.22287%0.865SS**  0125.30-79.8163.5157.800108.1
2S54.8Low50.2Low120 Ų120145.2 Ų145.284%0.83986%0.86SS**PPolyproline II helixtrans-62137.5-160.7-48.80000114.1L4S2-L4 PolarHBondContact O-N 2.93Å
3K47.7Very low50.7Low206 Ų206138.8 Ų138.890%0.89684%0.843SS**PPolyproline II helixtrans-55.4128.1175.7-76179.2175-174.10110.7
4L47.9Very low51.7Low164 Ų164143.1 Ų143.186%0.85984%0.836SS**PPolyproline II helixtrans-58138.6169.8-9989.1000110.2S2S2-L4 PolarHBondContact O-N 2.93Å
5P55.2Low53.1Low121 Ų121146.5 Ų146.579%0.78684%0.837SS**PPolyproline II helixtrans-74.1131.1174.629.4-31.5000110.8S7P5-S7 PolarHBondContact O-N 2.87Å
6D53.8Low54.4Low163 Ų163152.4 Ų152.487%0.87284%0.841SS**PPolyproline II helixtrans-46.2122.5173.9-86.2-52.4000112K8D6-K8 PolarHBondContact O-N 3.38Å; D6-K8 VanDerWaalsContact O-N 3.13Å
7S50.1Low55.5Low113 Ų113153.6 Ų153.679%0.7984%0.836SS**  trans-60.6111.617455.80000110.1P5P5-S7 PolarHBondContact O-N 2.87Å
8K47.7Very low57Low197 Ų197148.6 Ų148.686%0.85782%0.818SS**PPolyproline II helixtrans-55.6131.6168-92-178.8176.7172.60109.6D6 A10D6-K8 PolarHBondContact O-N 3.38Å; D6-K8 VanDerWaalsContact O-N 3.13Å; K8-A10 PolarHBondContact O-N 3.21Å
9P47.1Very low58.5Low115 Ų115142.2 Ų142.275%0.74778%0.783SS**PPolyproline II helixtrans-64.1132-177.525.8-32.8000110.2G11P9-G11 PolarHBondContact O-N 3.46Å
10A50.3Low59.9Low104 Ų104136.5 Ų136.586%0.8675%0.752SS**THydrogen-bonded Turntrans-54.3119.2179.300000111.3K8 S12K8-A10 PolarHBondContact O-N 3.21Å; A10-S12 PolarHBondContact O-N 3.02Å
11G48.5Very low60.9Low77 Ų77130.1 Ų130.179%0.79472%0.717SS**THydrogen-bonded Turntrans62.451.7150.400000117.5P9 G13P9-G11 PolarHBondContact O-N 3.46Å; G11-G13 PolarHBondContact O-N 3.29Å
12S52.4Low62.7Low114 Ų114119.5 Ų119.580%0.79767%0.671SS**  trans-75.456.6158.562.10000110.9A10 R14A10-S12 PolarHBondContact O-N 3.02Å; S12-R14 PolarHBondContact O-N 2.86Å; S12-R14 VanDerWaalsContact O-N 3.11Å
13G55.8Low64.3Low62 Ų62118.1 Ų118.164%0.63965%0.652SS**  trans-56120.7170.400000108.8G11 K15G11-G13 PolarHBondContact O-N 3.29Å; G13-K15 PolarHBondContact O-N 3.34Å
14R65.3Low66.4Low200 Ų200110.6 Ų110.676%0.75562%0.619SS**  trans-53.1113.4179179.1173.4168.3164.8-3.2108.8S12 R16S12-R14 PolarHBondContact O-N 2.86Å; S12-R14 VanDerWaalsContact O-N 3.11Å; R14-R16 PolarHBondContact O-N 2.87Å
15K72.4Confident68.4Low194 Ų194105.4 Ų105.484%0.84359%0.589SS**PPolyproline II helixtrans-53.4128.7179.2-69.3-174.2-179.7-179.80109.1G13 K17G13-K15 PolarHBondContact O-N 3.34Å; K15-K17 PolarHBondContact O-N 3.29Å
16R73.6Confident70.2Confident241 Ų241103 Ų10391%0.90957%0.568SS**PPolyproline II helixtrans-60.1122.5178.2-178.4177.4177.7165.80.6108.6R14 A18R14-R16 PolarHBondContact O-N 2.87Å; R16-A18 PolarHBondContact O-N 3.42Å
17K74.4Confident72.2Confident173 Ų17395.5 Ų95.575%0.75253%0.527SS*.PPolyproline II helixtrans-75.7118.2171-66-170.7174.7-169.30108.6K15K15-K17 PolarHBondContact O-N 3.29Å
18A81.1Confident74.3Confident62 Ų6290.3 Ų90.351%0.51249%0.491SS..PPolyproline II helixtrans-92.3117.417600000109R16 V75R16-A18 PolarHBondContact O-N 3.42Å; A18-V75 HydrophobicContact CB-CG1 3.57Å; A18-V75 HydrophobicContact CB-CG2 4.3Å
19L86.2Confident76.5Confident28 Ų2884.2 Ų84.215%0.14746%0.464CS..PPolyproline II helixtrans-79.9134.4-179.9-62.7168.9000110.6E23 K24 I46 T50 I54L19-E23 WeakPolarHBondContact CA-OE2 3.5Å; L19-E23 HydrophobicContact CB-CB 4.48Å; L19-E23 HydrophobicContact CD2-CB 4.45Å; L19-K24 HydrophobicContact CB-CG 4.15Å; L19-K24 WeakPolarHBondContact O-CE 3.4Å; L19-I46 HydrophobicContact CD1-CD1 3.77Å; L19-I46 HydrophobicContact CD1-CG1 4.41Å; L19-I46 HydrophobicContact CD1-CG2 4.38Å; L19-I46 HydrophobicContact CD2-CD1 3.71Å; L19-I46 HydrophobicContact CD2-CG1 4.28Å; L19-I46 HydrophobicContact CG-CD1 4.42Å; L19-T50 HydrophobicContact CD1-CG2 3.84Å; L19-I54 HydrophobicContact CD1-CD1 3.84Å
20T85.8Confident78.8Confident27 Ų2781.6 Ų81.617%0.16644%0.44CS..PPolyproline II helixtrans-67.1163.8173.872.80000111.1G22 E23 K24 V75T20-G22 PolarHBondContact O-N 3.32Å; T20-G22 PolarHBondContact OG1-N 3.36Å; T20-E23 PolarHBondContact N-OE2 3.33Å; T20-E23 PolarHBondContact O-N 3.46Å; T20-E23 WeakPolarHBondContact OG1-CG 3.38Å; T20-E23 PolarHBondContact OG1-N 2.96Å; T20-K24 WeakPolarHBondContact O-CG 3.46Å; T20-K24 PolarHBondContact O-N 2.85Å; T20-V75 HydrophobicContact CG2-CG2 4.24Å
21V82.5Confident81Confident4 Ų477.8 Ų77.82%0.02440%0.403CS..Hα-helixtrans-63.8-38.2174.5-173.20000109.6K24 F25 T64 C65V21-K24 PolarHBondContact O-N 3.43Å; V21-F25 WeakPolarHBondContact O-CB 3.43Å; V21-F25 PolarHBondContact O-N 3.4Å; V21-T64 HydrophobicContact CG1-CG2 4.01Å; V21-T64 HydrophobicContact CG2-CG2 4.35Å; V21-C65 VanDerWaalsContact CG1-SG 3.59Å
22G83.9Confident83.2Confident25 Ų2579 Ų7926%0.25839%0.388SS..Hα-helixtrans-59.8-47175.500000113.5T20 K24 F25 E26T20-G22 PolarHBondContact O-N 3.32Å; T20-G22 PolarHBondContact OG1-N 3.36Å; G22-K24 VanDerWaalsContact C-N 3.32Å; G22-K24 PolarHBondContact O-N 3.48Å; G22-F25 PolarHBondContact O-N 3Å; G22-E26 PolarHBondContact O-N 3.22Å
23E89.4Confident85.3Confident91 Ų9180.5 Ų80.543%0.42538%0.377SS..Hα-helixtrans-60.6-41.9177-73.7174.1130.900111.8L19 T20 F25 E26 I27L19-E23 WeakPolarHBondContact CA-OE2 3.5Å; L19-E23 HydrophobicContact CB-CB 4.48Å; L19-E23 HydrophobicContact CD2-CB 4.45Å; T20-E23 PolarHBondContact N-OE2 3.33Å; T20-E23 PolarHBondContact O-N 3.46Å; T20-E23 WeakPolarHBondContact OG1-CG 3.38Å; T20-E23 PolarHBondContact OG1-N 2.96Å; E23-F25 VanDerWaalsContact C-N 3.33Å; E23-F25 PolarHBondContact O-N 3.16Å; E23-E26 PolarHBondContact O-N 3.41Å; E23-I27 WeakPolarHBondContact O-CD1 3.37Å; E23-I27 VanDerWaalsContact O-CG1 3.3Å; E23-I27 WeakPolarHBondContact O-CG1 3.36Å; E23-I27 PolarHBondContact O-N 2.86Å
24K91.2Very high87.1Confident48 Ų4884.5 Ų84.521%0.20938%0.383CS..Hα-helixtrans-64.4-39.5176.6-66.4174.5-170.6170.50111.8L19 T20 V21 G22 I27 L28 I54 I61L19-K24 HydrophobicContact CB-CG 4.15Å; L19-K24 WeakPolarHBondContact O-CE 3.4Å; T20-K24 WeakPolarHBondContact O-CG 3.46Å; T20-K24 PolarHBondContact O-N 2.85Å; V21-K24 PolarHBondContact O-N 3.43Å; G22-K24 VanDerWaalsContact C-N 3.32Å; G22-K24 PolarHBondContact O-N 3.48Å; K24-I27 WeakPolarHBondContact O-CB 3.35Å; K24-I27 PolarHBondContact O-N 3Å; K24-L28 WeakPolarHBondContact O-CG 3.25Å; K24-L28 PolarHBondContact O-N 2.86Å; K24-I54 HydrophobicContact CB-CG2 4.24Å; K24-I54 HydrophobicContact CD-CG1 4.49Å; K24-I54 HydrophobicContact CG-CD1 3.95Å; K24-I54 HydrophobicContact CG-CG1 4.06Å; K24-I61 HydrophobicContact CB-CD1 4.15Å; K24-I61 HydrophobicContact CB-CG2 3.94Å; K24-I61 HydrophobicContact CD-CD1 4.25Å
25F90.7Very high88.5Confident54 Ų5477.7 Ų77.724%0.23736%0.36CS..Hα-helixtrans-67.6-38.7177.4-177-114.8000112.1V21 G22 E23 I27 L28 K29 I61 K62 C65V21-F25 WeakPolarHBondContact O-CB 3.43Å; V21-F25 PolarHBondContact O-N 3.4Å; G22-F25 PolarHBondContact O-N 3Å; E23-F25 VanDerWaalsContact C-N 3.33Å; E23-F25 PolarHBondContact O-N 3.16Å; F25-I27 VanDerWaalsContact C-N 3.32Å; F25-I27 PolarHBondContact O-N 3.3Å; F25-L28 WeakPolarHBondContact O-CB 3.4Å; F25-L28 PolarHBondContact O-N 2.8Å; F25-L28 VanDerWaalsContact O-N 3.09Å; F25-K29 HydrophobicContact CE1-CD 4.37Å; F25-K29 PolarHBondContact O-N 3.07Å; F25-I61 HydrophobicContact CB-CG2 4.33Å; F25-K62 HydrophobicContact CD2-CG 4.29Å; F25-K62 HydrophobicContact CE2-CG 4.06Å; F25-C65 WeakPolarHBondContact CB-SG 3.41Å; F25-C65 HydrophobicContact CD2-CB 4.15Å; F25-C65 HydrophobicContact CE2-CB 4.48Å; F25-C65 HydrophobicContact CG-CB 4.22Å
26E92.1Very high89.6Confident72 Ų7271.9 Ų71.934%0.33634%0.341SS..Hα-helixtrans-64.6-37.9173.9-169.155.9-139.900111.8G22 E23 L28 K29 R30 R33G22-E26 PolarHBondContact O-N 3.22Å; E23-E26 PolarHBondContact O-N 3.41Å; E26-L28 VanDerWaalsContact C-N 3.27Å; E26-L28 PolarHBondContact O-N 3.41Å; E26-K29 PolarHBondContact O-N 3.27Å; E26-K29 IonicContact OE2-NZ 3.77Å; E26-R30 WeakPolarHBondContact O-CG 3.16Å; E26-R30 PolarHBondContact O-N 3.11Å; E26-R33 IonicContact OE1-CZ 3.82Å; E26-R33 IonicContact OE1-NH1 3.02Å; E26-R33 PolarHBondContact OE1-NH1 3.49Å; E26-R33 IonicContact OE1-NH2 3.96Å
27I95.1Very high90.6Very high4 Ų462.6 Ų62.62%0.02131%0.311CS..Hα-helixtrans-60.1-38.6171.5-69.5159.3000111.3E23 K24 F25 R30 Y31 I40 T44 I46 L51 I54E23-I27 WeakPolarHBondContact O-CD1 3.37Å; E23-I27 VanDerWaalsContact O-CG1 3.3Å; E23-I27 WeakPolarHBondContact O-CG1 3.36Å; E23-I27 PolarHBondContact O-N 2.86Å; K24-I27 WeakPolarHBondContact O-CB 3.35Å; K24-I27 PolarHBondContact O-N 3Å; F25-I27 VanDerWaalsContact C-N 3.32Å; F25-I27 PolarHBondContact O-N 3.3Å; I27-R30 WeakPolarHBondContact O-CB 3.43Å; I27-R30 PolarHBondContact O-N 2.87Å; I27-Y31 HydrophobicContact CG2-CD2 4.12Å; I27-Y31 HydrophobicContact CG2-CE2 3.97Å; I27-Y31 WeakPolarHBondContact O-CD2 3.49Å; I27-Y31 PolarHBondContact O-N 2.92Å; I27-Y31 VanDerWaalsContact O-N 3.16Å; I27-I40 HydrophobicContact CG2-CG2 4.32Å; I27-T44 HydrophobicContact CG1-CG2 4.4Å; I27-I46 HydrophobicContact CD1-CD1 3.31Å; I27-I46 HydrophobicContact CG1-CD1 4.33Å; I27-L51 HydrophobicContact CD1-CD2 4.09Å; I27-L51 HydrophobicContact CG1-CD2 4.32Å; I27-L51 HydrophobicContact CG2-CD2 3.66Å; I27-I54 HydrophobicContact CB-CG2 4.27Å; I27-I54 HydrophobicContact CD1-CD1 3.66Å; I27-I54 HydrophobicContact CG2-CD1 4.45Å; I27-I54 HydrophobicContact CG2-CG2 3.85Å
28L94.4Very high91.6Very high5 Ų563.2 Ų63.23%0.02631%0.309CS..Hα-helixtrans-66.8-40.9175.5-67.1174000112K24 F25 E26 R30 Y31 E32 I54 A58 I61 K62K24-L28 WeakPolarHBondContact O-CG 3.25Å; K24-L28 PolarHBondContact O-N 2.86Å; F25-L28 WeakPolarHBondContact O-CB 3.4Å; F25-L28 PolarHBondContact O-N 2.8Å; F25-L28 VanDerWaalsContact O-N 3.09Å; E26-L28 VanDerWaalsContact C-N 3.27Å; E26-L28 PolarHBondContact O-N 3.41Å; L28-R30 VanDerWaalsContact C-N 3.27Å; L28-R30 PolarHBondContact O-N 3.3Å; L28-Y31 WeakPolarHBondContact O-CB 3.44Å; L28-Y31 PolarHBondContact O-N 2.99Å; L28-Y31 VanDerWaalsContact O-N 3.09Å; L28-E32 WeakPolarHBondContact O-CG 3.47Å; L28-E32 PolarHBondContact O-N 2.77Å; L28-I54 HydrophobicContact CD2-CG2 3.94Å; L28-I54 HydrophobicContact CG-CG2 4.05Å; L28-A58 HydrophobicContact CD1-CB 4.06Å; L28-A58 HydrophobicContact CD2-CB 3.65Å; L28-A58 HydrophobicContact CG-CB 4.5Å; L28-I61 HydrophobicContact CD1-CB 3.78Å; L28-I61 HydrophobicContact CD1-CD1 4.26Å; L28-I61 HydrophobicContact CD1-CG2 3.65Å; L28-K62 HydrophobicContact CD1-CG 4.3Å
29K94.6Very high92.3Very high68 Ų6863.7 Ų63.730%0.29630%0.303SS..Hα-helixtrans-59.7-37.8173.8-70.1-175.4-173.3168.70112.4F25 E26 Y31 E32 R33F25-K29 HydrophobicContact CE1-CD 4.37Å; F25-K29 PolarHBondContact O-N 3.07Å; E26-K29 PolarHBondContact O-N 3.27Å; E26-K29 IonicContact OE2-NZ 3.77Å; K29-Y31 VanDerWaalsContact C-N 3.34Å; K29-E32 WeakPolarHBondContact O-CB 3.37Å; K29-E32 PolarHBondContact O-N 3.02Å; K29-R33 WeakPolarHBondContact O-CG 3.42Å; K29-R33 PolarHBondContact O-N 3.14Å
30R96Very high92.8Very high60 Ų6062.4 Ų62.423%0.22630%0.296CS..Hα-helixtrans-62-41.8173.5-69.1176172.7-106.27112E26 I27 L28 E32 R33 E35 I40E26-R30 WeakPolarHBondContact O-CG 3.16Å; E26-R30 PolarHBondContact O-N 3.11Å; I27-R30 WeakPolarHBondContact O-CB 3.43Å; I27-R30 PolarHBondContact O-N 2.87Å; L28-R30 VanDerWaalsContact C-N 3.27Å; L28-R30 PolarHBondContact O-N 3.3Å; R30-E32 VanDerWaalsContact C-N 3.33Å; R30-E32 PolarHBondContact O-N 3.12Å; R30-R33 PolarHBondContact O-N 2.97Å; R30-E35 HydrophobicContact CB-CB 4.43Å; R30-E35 HydrophobicContact CB-CG 4.46Å; R30-E35 WeakPolarHBondContact CG-OE1 3.39Å; R30-E35 WeakPolarHBondContact CG-OE2 3.48Å; R30-E35 IonicContact CZ-OE2 3.87Å; R30-E35 IonicContact NH1-OE2 2.9Å; R30-E35 PolarHBondContact NH1-OE2 2.93Å; R30-E35 WeakPolarHBondContact O-CB 3.2Å; R30-E35 PolarHBondContact O-N 3.47Å; R30-E35 VanDerWaalsContact O-N 3.12Å; R30-I40 HydrophobicContact CB-CD1 3.92Å; R30-I40 HydrophobicContact CB-CG1 3.99Å
31Y96.4Very high93.3Very high24 Ų2462.9 Ų62.99%0.09430%0.299CS..Hα-helixtrans-64-36.9173-83-61.2000112.9I27 L28 K29 R33 N34 T37 I40 L51 R55I27-Y31 HydrophobicContact CG2-CD2 4.12Å; I27-Y31 HydrophobicContact CG2-CE2 3.97Å; I27-Y31 WeakPolarHBondContact O-CD2 3.49Å; I27-Y31 PolarHBondContact O-N 2.92Å; I27-Y31 VanDerWaalsContact O-N 3.16Å; L28-Y31 WeakPolarHBondContact O-CB 3.44Å; L28-Y31 PolarHBondContact O-N 2.99Å; L28-Y31 VanDerWaalsContact O-N 3.09Å; K29-Y31 VanDerWaalsContact C-N 3.34Å; Y31-R33 VanDerWaalsContact C-N 3.3Å; Y31-R33 PolarHBondContact O-N 3.06Å; Y31-N34 WeakPolarHBondContact O-CA 3.24Å; Y31-N34 PolarHBondContact O-N 3.37Å; Y31-T37 PolarHBondContact OH-OG1 2.92Å; Y31-I40 HydrophobicContact CD1-CD1 3.75Å; Y31-I40 HydrophobicContact CD2-CD1 3.93Å; Y31-I40 HydrophobicContact CE1-CD1 3.64Å; Y31-I40 HydrophobicContact CE2-CD1 3.85Å; Y31-I40 HydrophobicContact CG-CD1 3.89Å; Y31-L51 HydrophobicContact CE2-CB 4.42Å; Y31-L51 WeakPolarHBondContact OH-CB 3.35Å; Y31-R55 HydrophobicContact CD2-CB 4.41Å; Y31-R55 HydrophobicContact CE2-CB 4.15Å
32E94.8Very high93.9Very high103 Ų10370.8 Ų70.848%0.48133%0.333SS..Hα-helixtrans-66.8-31175.6-69.9168.7173.200112.7L28 K29 R30 N34 K62L28-E32 WeakPolarHBondContact O-CG 3.47Å; L28-E32 PolarHBondContact O-N 2.77Å; K29-E32 WeakPolarHBondContact O-CB 3.37Å; K29-E32 PolarHBondContact O-N 3.02Å; R30-E32 VanDerWaalsContact C-N 3.33Å; R30-E32 PolarHBondContact O-N 3.12Å; E32-N34 PolarHBondContact O-N 3.12Å; E32-K62 WeakPolarHBondContact OE1-CE 3.45Å; E32-K62 IonicContact OE1-NZ 2.92Å; E32-K62 PolarHBondContact OE1-NZ 3.18Å
33R95.6Very high94.4Very high146 Ų14672.4 Ų72.455%0.55134%0.343SS*.THydrogen-bonded Turntrans-73.75.1170-65169.9-172.3130.60.5113.2E26 K29 R30 Y31 E35E26-R33 IonicContact OE1-CZ 3.82Å; E26-R33 IonicContact OE1-NH1 3.02Å; E26-R33 PolarHBondContact OE1-NH1 3.49Å; E26-R33 IonicContact OE1-NH2 3.96Å; K29-R33 WeakPolarHBondContact O-CG 3.42Å; K29-R33 PolarHBondContact O-N 3.14Å; R30-R33 PolarHBondContact O-N 2.97Å; Y31-R33 VanDerWaalsContact C-N 3.3Å; Y31-R33 PolarHBondContact O-N 3.06Å; R33-E35 HydrophobicContact CB-CG 4.49Å; R33-E35 PolarHBondContact O-N 3.23Å
34N93.5Very high94.4Very high146 Ų14670.4 Ų70.478%0.78134%0.338SS*.THydrogen-bonded Turntrans59.226.3-175.8-57.9-59.4000114.4Y31 E32Y31-N34 WeakPolarHBondContact O-CA 3.24Å; Y31-N34 PolarHBondContact O-N 3.37Å; E32-N34 PolarHBondContact O-N 3.12Å
35E95.6Very high94.4Very high56 Ų5671 Ų7126%0.26236%0.357SS..  trans-61.4140.2170.7-70.3175.3-140.300110.1R30 R33 I40R30-E35 HydrophobicContact CB-CB 4.43Å; R30-E35 HydrophobicContact CB-CG 4.46Å; R30-E35 WeakPolarHBondContact CG-OE1 3.39Å; R30-E35 WeakPolarHBondContact CG-OE2 3.48Å; R30-E35 IonicContact CZ-OE2 3.87Å; R30-E35 IonicContact NH1-OE2 2.9Å; R30-E35 PolarHBondContact NH1-OE2 2.93Å; R30-E35 WeakPolarHBondContact O-CB 3.2Å; R30-E35 PolarHBondContact O-N 3.47Å; R30-E35 VanDerWaalsContact O-N 3.12Å; R33-E35 HydrophobicContact CB-CG 4.49Å; R33-E35 PolarHBondContact O-N 3.23Å; E35-I40 HydrophobicContact CB-CD1 4.22Å; E35-I40 HydrophobicContact CB-CG1 3.95Å
36T95.3Very high94.5Very high72 Ų7269.5 Ų69.544%0.44235%0.351SS..  trans-71.6150.5177.280.80000110.4R38 D39 I40T36-R38 PolarHBondContact O-N 3.24Å; T36-R38 VanDerWaalsContact O-N 3.15Å; T36-D39 WeakPolarHBondContact CB-OD2 3.04Å; T36-D39 PolarHBondContact O-N 3.49Å; T36-D39 PolarHBondContact OG1-N 2.89Å; T36-D39 PolarHBondContact OG1-OD2 2.88Å; T36-I40 WeakPolarHBondContact O-CG1 3.32Å; T36-I40 PolarHBondContact O-N 3.17Å; T36-I40 VanDerWaalsContact O-N 3.09Å
37T94.9Very high94.5Very high46 Ų4673.1 Ų73.128%0.28237%0.366SS..Hα-helixtrans-53.9-37.8176-59.10000111.6Y31 D39 I40 V41 E48 L51Y31-T37 PolarHBondContact OH-OG1 2.92Å; T37-D39 VanDerWaalsContact C-N 3.33Å; T37-D39 PolarHBondContact O-N 3.45Å; T37-I40 PolarHBondContact O-N 3.21Å; T37-V41 HydrophobicContact CG2-CG2 4.38Å; T37-V41 WeakPolarHBondContact O-CG2 3.37Å; T37-V41 PolarHBondContact O-N 3.44Å; T37-E48 HydrophobicContact CG2-CB 4.34Å; T37-E48 HydrophobicContact CG2-CG 4Å; T37-L51 HydrophobicContact CG2-CD1 4.03Å
38R95Very high94.5Very high187 Ų18778.2 Ų78.271%0.70639%0.39SS*.Hα-helixtrans-62.5-39.1178.1-81.1-171.9-93169.4-6.5112.1T36 V41 K42T36-R38 PolarHBondContact O-N 3.24Å; T36-R38 VanDerWaalsContact O-N 3.15Å; R38-V41 PolarHBondContact O-N 2.86Å; R38-K42 WeakPolarHBondContact O-CG 2.99Å; R38-K42 PolarHBondContact O-N 3.05Å
39D96Very high94.5Very high72 Ų7281.7 Ų81.739%0.38541%0.414SS..Hα-helixtrans-70.7-40.2178.7-57.5-39.6000111.3T36 T37 V41 K42 A43T36-D39 WeakPolarHBondContact CB-OD2 3.04Å; T36-D39 PolarHBondContact O-N 3.49Å; T36-D39 PolarHBondContact OG1-N 2.89Å; T36-D39 PolarHBondContact OG1-OD2 2.88Å; T37-D39 VanDerWaalsContact C-N 3.33Å; T37-D39 PolarHBondContact O-N 3.45Å; D39-V41 VanDerWaalsContact C-N 3.34Å; D39-V41 PolarHBondContact O-N 3.37Å; D39-K42 PolarHBondContact O-N 2.97Å; D39-A43 WeakPolarHBondContact O-CB 3.46Å; D39-A43 PolarHBondContact O-N 3.43Å
40I96Very high94.4Very high0 Ų081 Ų810%042%0.416CS..Hα-helixtrans-63.2-40.7175.3-59172000110.9I27 R30 Y31 E35 T36 T37 A43 T44 L51I27-I40 HydrophobicContact CG2-CG2 4.32Å; R30-I40 HydrophobicContact CB-CD1 3.92Å; R30-I40 HydrophobicContact CB-CG1 3.99Å; Y31-I40 HydrophobicContact CD1-CD1 3.75Å; Y31-I40 HydrophobicContact CD2-CD1 3.93Å; Y31-I40 HydrophobicContact CE1-CD1 3.64Å; Y31-I40 HydrophobicContact CE2-CD1 3.85Å; Y31-I40 HydrophobicContact CG-CD1 3.89Å; E35-I40 HydrophobicContact CB-CD1 4.22Å; E35-I40 HydrophobicContact CB-CG1 3.95Å; T36-I40 WeakPolarHBondContact O-CG1 3.32Å; T36-I40 PolarHBondContact O-N 3.17Å; T36-I40 VanDerWaalsContact O-N 3.09Å; T37-I40 PolarHBondContact O-N 3.21Å; I40-A43 PolarHBondContact O-N 2.81Å; I40-T44 HydrophobicContact CG2-CG2 4.24Å; I40-T44 WeakPolarHBondContact O-CB 3.44Å; I40-T44 PolarHBondContact O-N 2.94Å; I40-T44 PolarHBondContact O-OG1 2.82Å; I40-L51 HydrophobicContact CB-CD1 4.02Å; I40-L51 HydrophobicContact CG2-CD1 3.72Å; I40-L51 HydrophobicContact CG2-CD2 3.75Å; I40-L51 HydrophobicContact CG2-CG 4.4Å
41V96.1Very high94.4Very high38 Ų3878.1 Ų78.123%0.2341%0.405CS..Hα-helixtrans-59.9-48.2174.5173.10000110.5T37 R38 D39 A43 G45 I46 E48 L51T37-V41 HydrophobicContact CG2-CG2 4.38Å; T37-V41 WeakPolarHBondContact O-CG2 3.37Å; T37-V41 PolarHBondContact O-N 3.44Å; R38-V41 PolarHBondContact O-N 2.86Å; D39-V41 VanDerWaalsContact C-N 3.34Å; D39-V41 PolarHBondContact O-N 3.37Å; V41-A43 VanDerWaalsContact C-N 3.33Å; V41-A43 PolarHBondContact O-N 3.27Å; V41-G45 WeakPolarHBondContact O-CA 3.35Å; V41-G45 PolarHBondContact O-N 3.49Å; V41-I46 WeakPolarHBondContact CG2-O 3.31Å; V41-E48 HydrophobicContact CG2-CG 3.52Å; V41-L51 HydrophobicContact CG2-CD1 3.55Å
42K95.3Very high94.3Very high170 Ų17086.6 Ų86.674%0.73944%0.437SS*.Hα-helixtrans-61.6-42178.8-73.4175.7-179.8178.80111.8R38 D39R38-K42 WeakPolarHBondContact O-CG 2.99Å; R38-K42 PolarHBondContact O-N 3.05Å; D39-K42 PolarHBondContact O-N 2.97Å
43A93.4Very high94.3Very high58 Ų5885.5 Ų85.548%0.47944%0.437SS..Hα-helixtrans-75.6-33.1-176.200000114.1D39 I40 V41D39-A43 WeakPolarHBondContact O-CB 3.46Å; D39-A43 PolarHBondContact O-N 3.43Å; I40-A43 PolarHBondContact O-N 2.81Å; V41-A43 VanDerWaalsContact C-N 3.33Å; V41-A43 PolarHBondContact O-N 3.27Å
44T91.4Very high94.2Very high50 Ų5078.9 Ų78.931%0.30741%0.413SS..Hα-helixtrans-107-17.6-174.9640000113.8I27 I40 I46I27-T44 HydrophobicContact CG1-CG2 4.4Å; I40-T44 HydrophobicContact CG2-CG2 4.24Å; I40-T44 WeakPolarHBondContact O-CB 3.44Å; I40-T44 PolarHBondContact O-N 2.94Å; I40-T44 PolarHBondContact O-OG1 2.82Å; T44-I46 HydrophobicContact CG2-CD1 4.48Å; T44-I46 PolarHBondContact O-N 2.98Å; T44-I46 WeakPolarHBondContact OG1-CB 3.41Å; T44-I46 PolarHBondContact OG1-N 2.88Å
45G91.2Very high94.3Very high60 Ų6078.9 Ų78.962%0.61940%0.402SS*.  trans68.112.1-170.800000114.1V41V41-G45 WeakPolarHBondContact O-CA 3.35Å; V41-G45 PolarHBondContact O-N 3.49Å
46I91.5Very high94.2Very high23 Ų2381.1 Ų81.112%0.11842%0.424CS..  trans-87.4133.8-178.5-62.9167.8000109.6L19 I27 V41 T44 T50 L51L19-I46 HydrophobicContact CD1-CD1 3.77Å; L19-I46 HydrophobicContact CD1-CG1 4.41Å; L19-I46 HydrophobicContact CD1-CG2 4.38Å; L19-I46 HydrophobicContact CD2-CD1 3.71Å; L19-I46 HydrophobicContact CD2-CG1 4.28Å; L19-I46 HydrophobicContact CG-CD1 4.42Å; I27-I46 HydrophobicContact CD1-CD1 3.31Å; I27-I46 HydrophobicContact CG1-CD1 4.33Å; V41-I46 WeakPolarHBondContact CG2-O 3.31Å; T44-I46 HydrophobicContact CG2-CD1 4.48Å; T44-I46 PolarHBondContact O-N 2.98Å; T44-I46 WeakPolarHBondContact OG1-CB 3.41Å; T44-I46 PolarHBondContact OG1-N 2.88Å; I46-T50 HydrophobicContact CG2-CG2 3.64Å; I46-L51 HydrophobicContact CB-CD2 3.93Å; I46-L51 HydrophobicContact CB-CG 4.35Å; I46-L51 HydrophobicContact CG2-CD2 3.67Å; I46-L51 HydrophobicContact CG2-CG 3.94Å
47K92.5Very high94Very high147 Ų14781.4 Ų81.464%0.63942%0.422SS*.  trans-62.8145179-63.8-179.2179.3178.40111.5S49 T50 L51K47-S49 VanDerWaalsContact C-N 3.25Å; K47-S49 PolarHBondContact O-N 2.94Å; K47-S49 VanDerWaalsContact O-N 3.17Å; K47-T50 WeakPolarHBondContact O-CB 3.45Å; K47-T50 PolarHBondContact O-N 2.86Å; K47-L51 PolarHBondContact O-N 3.02Å; K47-L51 VanDerWaalsContact O-N 3.14Å
48E94.7Very high93.9Very high111 Ų11180.3 Ų80.352%0.51942%0.418SS..Hα-helixtrans-54-38.2-179.4-64.7-174.3170.300113.7T37 V41 T50 L51 R52T37-E48 HydrophobicContact CG2-CB 4.34Å; T37-E48 HydrophobicContact CG2-CG 4Å; V41-E48 HydrophobicContact CG2-CG 3.52Å; E48-T50 VanDerWaalsContact C-N 3.32Å; E48-T50 PolarHBondContact O-N 3.25Å; E48-L51 PolarHBondContact O-N 3.47Å; E48-R52 WeakPolarHBondContact O-CB 3.36Å; E48-R52 PolarHBondContact O-N 2.92Å
49S94.2Very high93.7Very high78 Ų7879.4 Ų79.455%0.54542%0.422SS..Hα-helixtrans-61.2-39.8177.1570000112.8K47 T53K47-S49 VanDerWaalsContact C-N 3.25Å; K47-S49 PolarHBondContact O-N 2.94Å; K47-S49 VanDerWaalsContact O-N 3.17Å; S49-T53 PolarHBondContact O-N 3.49Å; S49-T53 VanDerWaalsContact O-N 3.14Å; S49-T53 PolarHBondContact O-OG1 3.01Å
50T93.6Very high93.3Very high54 Ų5483 Ų8333%0.33143%0.434SS..Hα-helixtrans-68.1-43.5175.7-56.20000110.5L19 I46 K47 E48 R52 T53 I54L19-T50 HydrophobicContact CD1-CG2 3.84Å; I46-T50 HydrophobicContact CG2-CG2 3.64Å; K47-T50 WeakPolarHBondContact O-CB 3.45Å; K47-T50 PolarHBondContact O-N 2.86Å; E48-T50 VanDerWaalsContact C-N 3.32Å; E48-T50 PolarHBondContact O-N 3.25Å; T50-R52 VanDerWaalsContact C-N 3.33Å; T50-R52 PolarHBondContact O-N 3.39Å; T50-T53 WeakPolarHBondContact O-CB 3.16Å; T50-T53 PolarHBondContact O-N 3.33Å; T50-I54 HydrophobicContact CG2-CD1 4.02Å; T50-I54 WeakPolarHBondContact O-CG1 3.33Å; T50-I54 PolarHBondContact O-N 3.49Å
51L95Very high92.8Very high0 Ų083.8 Ų83.80%044%0.438CS..Hα-helixtrans-61-42.2176.9-61.8179.9000111.9I27 Y31 T37 I40 V41 I46 K47 E48 T53 I54 R55I27-L51 HydrophobicContact CD1-CD2 4.09Å; I27-L51 HydrophobicContact CG1-CD2 4.32Å; I27-L51 HydrophobicContact CG2-CD2 3.66Å; Y31-L51 HydrophobicContact CE2-CB 4.42Å; Y31-L51 WeakPolarHBondContact OH-CB 3.35Å; T37-L51 HydrophobicContact CG2-CD1 4.03Å; I40-L51 HydrophobicContact CB-CD1 4.02Å; I40-L51 HydrophobicContact CG2-CD1 3.72Å; I40-L51 HydrophobicContact CG2-CD2 3.75Å; I40-L51 HydrophobicContact CG2-CG 4.4Å; V41-L51 HydrophobicContact CG2-CD1 3.55Å; I46-L51 HydrophobicContact CB-CD2 3.93Å; I46-L51 HydrophobicContact CB-CG 4.35Å; I46-L51 HydrophobicContact CG2-CD2 3.67Å; I46-L51 HydrophobicContact CG2-CG 3.94Å; K47-L51 PolarHBondContact O-N 3.02Å; K47-L51 VanDerWaalsContact O-N 3.14Å; E48-L51 PolarHBondContact O-N 3.47Å; L51-T53 VanDerWaalsContact C-N 3.31Å; L51-T53 PolarHBondContact O-N 3.45Å; L51-I54 WeakPolarHBondContact O-CB 3.3Å; L51-I54 PolarHBondContact O-N 3.38Å; L51-R55 WeakPolarHBondContact O-CB 3.3Å; L51-R55 PolarHBondContact O-N 3.37Å
52R95Very high92.4Very high201 Ų20185.8 Ų85.876%0.75844%0.444SS*.Hα-helixtrans-59-42.7174.7-172.9177.5-178174.91111.9E48 T50 R55 S56E48-R52 WeakPolarHBondContact O-CB 3.36Å; E48-R52 PolarHBondContact O-N 2.92Å; T50-R52 VanDerWaalsContact C-N 3.33Å; T50-R52 PolarHBondContact O-N 3.39Å; R52-R55 PolarHBondContact O-N 3.04Å; R52-S56 PolarHBondContact O-N 3.34Å
53T94.8Very high91.8Very high80 Ų8084.2 Ų84.249%0.49144%0.439SS..Hα-helixtrans-66.1-40177.1-54.40000111.7S49 T50 L51 S56 N57S49-T53 PolarHBondContact O-N 3.49Å; S49-T53 VanDerWaalsContact O-N 3.14Å; S49-T53 PolarHBondContact O-OG1 3.01Å; T50-T53 WeakPolarHBondContact O-CB 3.16Å; T50-T53 PolarHBondContact O-N 3.33Å; L51-T53 VanDerWaalsContact C-N 3.31Å; L51-T53 PolarHBondContact O-N 3.45Å; T53-S56 PolarHBondContact O-N 2.94Å; T53-N57 PolarHBondContact O-N 2.91Å; T53-N57 PolarHBondContact O-ND2 3.44Å
54I93.8Very high91Very high7 Ų783.9 Ų83.94%0.03643%0.431CS..Hα-helixtrans-62.2-48175.7-71167.4000110L19 K24 I27 L28 T50 L51 S56 N57 A58 I61L19-I54 HydrophobicContact CD1-CD1 3.84Å; K24-I54 HydrophobicContact CB-CG2 4.24Å; K24-I54 HydrophobicContact CD-CG1 4.49Å; K24-I54 HydrophobicContact CG-CD1 3.95Å; K24-I54 HydrophobicContact CG-CG1 4.06Å; I27-I54 HydrophobicContact CB-CG2 4.27Å; I27-I54 HydrophobicContact CD1-CD1 3.66Å; I27-I54 HydrophobicContact CG2-CD1 4.45Å; I27-I54 HydrophobicContact CG2-CG2 3.85Å; L28-I54 HydrophobicContact CD2-CG2 3.94Å; L28-I54 HydrophobicContact CG-CG2 4.05Å; T50-I54 HydrophobicContact CG2-CD1 4.02Å; T50-I54 WeakPolarHBondContact O-CG1 3.33Å; T50-I54 PolarHBondContact O-N 3.49Å; L51-I54 WeakPolarHBondContact O-CB 3.3Å; L51-I54 PolarHBondContact O-N 3.38Å; I54-S56 VanDerWaalsContact C-N 3.35Å; I54-S56 PolarHBondContact O-N 3.37Å; I54-N57 CarbonylContact O-C 3.59Å; I54-N57 PolarHBondContact O-N 3.26Å; I54-N57 VanDerWaalsContact O-N 3.09Å; I54-A58 PolarHBondContact O-N 3.5Å; I54-I61 HydrophobicContact CB-CD1 4.47Å; I54-I61 HydrophobicContact CG2-CD1 3.99Å; I54-I61 WeakPolarHBondContact O-CD1 3.48Å
55R94.2Very high90Very high147 Ų14783.4 Ų83.456%0.55543%0.43SS*.Hα-helixtrans-59.4-42.3177-173175.4-178.4161.21.1112.6Y31 L51 R52 N57 A58Y31-R55 HydrophobicContact CD2-CB 4.41Å; Y31-R55 HydrophobicContact CE2-CB 4.15Å; L51-R55 WeakPolarHBondContact O-CB 3.3Å; L51-R55 PolarHBondContact O-N 3.37Å; R52-R55 PolarHBondContact O-N 3.04Å; R55-N57 PolarHBondContact O-N 2.94Å; R55-A58 VanDerWaalsContact O-CB 3.29Å; R55-A58 WeakPolarHBondContact O-CB 3.33Å; R55-A58 PolarHBondContact O-N 2.92Å
56S94.9Very high88.9Confident103 Ų10386.2 Ų86.272%0.7244%0.435SS*.Hα-helixtrans-66.2-24.4177-170.40000113.4R52 T53 I54R52-S56 PolarHBondContact O-N 3.34Å; T53-S56 PolarHBondContact O-N 2.94Å; I54-S56 VanDerWaalsContact C-N 3.35Å; I54-S56 PolarHBondContact O-N 3.37Å
57N91.5Very high87.4Confident77 Ų7788.6 Ų88.641%0.41245%0.453SS..THydrogen-bonded Turntrans-101.620.4179.3-69.8-30.1000112.4T53 I54 R55 E59 K60 I61T53-N57 PolarHBondContact O-N 2.91Å; T53-N57 PolarHBondContact O-ND2 3.44Å; I54-N57 CarbonylContact O-C 3.59Å; I54-N57 PolarHBondContact O-N 3.26Å; I54-N57 VanDerWaalsContact O-N 3.09Å; R55-N57 PolarHBondContact O-N 2.94Å; N57-E59 PolarHBondContact O-N 3.35Å; N57-K60 PolarHBondContact O-N 3.21Å; N57-I61 HydrophobicContact CB-CD1 3.88Å; N57-I61 HydrophobicContact CB-CG1 4.3Å; N57-I61 WeakPolarHBondContact O-CD1 3.39Å; N57-I61 VanDerWaalsContact O-CG1 3.29Å; N57-I61 WeakPolarHBondContact O-CG1 3.38Å; N57-I61 PolarHBondContact O-N 2.85Å
58A92.9Very high85.5Confident24 Ų2484.9 Ų84.920%0.19846%0.457CS..Hα-helixtrans-54.8-50.5-170.300000113L28 I54 R55 K60 I61 K62L28-A58 HydrophobicContact CD1-CB 4.06Å; L28-A58 HydrophobicContact CD2-CB 3.65Å; L28-A58 HydrophobicContact CG-CB 4.5Å; I54-A58 PolarHBondContact O-N 3.5Å; R55-A58 VanDerWaalsContact O-CB 3.29Å; R55-A58 WeakPolarHBondContact O-CB 3.33Å; R55-A58 PolarHBondContact O-N 2.92Å; A58-K60 PolarHBondContact O-N 3.35Å; A58-I61 PolarHBondContact O-N 3.45Å; A58-K62 WeakPolarHBondContact O-CB 3.49Å; A58-K62 VanDerWaalsContact O-CG 3.26Å; A58-K62 WeakPolarHBondContact O-CG 3.26Å; A58-K62 PolarHBondContact O-N 3.45Å
59E91Very high83.6Confident167 Ų16783.4 Ų83.478%0.7846%0.455SS*.Hα-helixtrans-58.2-48.6-179.8-67.9176.8-17900111.9N57 I61 K62 Q63N57-E59 PolarHBondContact O-N 3.35Å; E59-I61 VanDerWaalsContact C-N 3.34Å; E59-I61 PolarHBondContact O-N 3.25Å; E59-K62 PolarHBondContact O-N 3.17Å; E59-Q63 WeakPolarHBondContact O-CB 3.29Å; E59-Q63 PolarHBondContact O-N 2.94Å
60K86.6Confident81.6Confident148 Ų14884.7 Ų84.764%0.64346%0.464SS*.Hα-helixtrans-61.6-41.2178.9-173.1170.3-174.9166.10112.4N57 A58 T64N57-K60 PolarHBondContact O-N 3.21Å; A58-K60 PolarHBondContact O-N 3.35Å; K60-T64 WeakPolarHBondContact O-CB 3.44Å; K60-T64 PolarHBondContact O-N 3.35Å; K60-T64 PolarHBondContact O-OG1 3.17Å
61I86.4Confident79.6Confident16 Ų1683.1 Ų83.18%0.08246%0.456CS..Hα-helixtrans-66.9-44.5177.8-67.3161.8000109.9K24 F25 L28 I54 N57 A58 E59 T64 C65K24-I61 HydrophobicContact CB-CD1 4.15Å; K24-I61 HydrophobicContact CB-CG2 3.94Å; K24-I61 HydrophobicContact CD-CD1 4.25Å; F25-I61 HydrophobicContact CB-CG2 4.33Å; L28-I61 HydrophobicContact CD1-CB 3.78Å; L28-I61 HydrophobicContact CD1-CD1 4.26Å; L28-I61 HydrophobicContact CD1-CG2 3.65Å; I54-I61 HydrophobicContact CB-CD1 4.47Å; I54-I61 HydrophobicContact CG2-CD1 3.99Å; I54-I61 WeakPolarHBondContact O-CD1 3.48Å; N57-I61 HydrophobicContact CB-CD1 3.88Å; N57-I61 HydrophobicContact CB-CG1 4.3Å; N57-I61 WeakPolarHBondContact O-CD1 3.39Å; N57-I61 VanDerWaalsContact O-CG1 3.29Å; N57-I61 WeakPolarHBondContact O-CG1 3.38Å; N57-I61 PolarHBondContact O-N 2.85Å; A58-I61 PolarHBondContact O-N 3.45Å; E59-I61 VanDerWaalsContact C-N 3.34Å; E59-I61 PolarHBondContact O-N 3.25Å; I61-T64 PolarHBondContact O-N 3.33Å; I61-C65 PolarHBondContact O-N 3Å
62K86.7Confident77.6Confident80 Ų8087.3 Ų87.335%0.34849%0.485SS..Hα-helixtrans-59.5-49.1176.7-72.1176.9176.1-170.60111.7F25 L28 E32 A58 E59 T64 C65 V66F25-K62 HydrophobicContact CD2-CG 4.29Å; F25-K62 HydrophobicContact CE2-CG 4.06Å; L28-K62 HydrophobicContact CD1-CG 4.3Å; E32-K62 WeakPolarHBondContact OE1-CE 3.45Å; E32-K62 IonicContact OE1-NZ 2.92Å; E32-K62 PolarHBondContact OE1-NZ 3.18Å; A58-K62 WeakPolarHBondContact O-CB 3.49Å; A58-K62 VanDerWaalsContact O-CG 3.26Å; A58-K62 WeakPolarHBondContact O-CG 3.26Å; A58-K62 PolarHBondContact O-N 3.45Å; E59-K62 PolarHBondContact O-N 3.17Å; K62-T64 VanDerWaalsContact C-N 3.29Å; K62-T64 PolarHBondContact O-N 3.47Å; K62-C65 WeakPolarHBondContact O-CB 3.5Å; K62-C65 PolarHBondContact O-N 3.41Å; K62-C65 VanDerWaalsContact O-N 3.15Å; K62-V66 WeakPolarHBondContact O-CG2 3.4Å; K62-V66 PolarHBondContact O-N 2.98Å
63Q83.6Confident75.5Confident138 Ų13884.8 Ų84.865%0.64549%0.485SS*.Hα-helixtrans-59.4-40.1177.6-170.1-178.112.800112.1E59 V66 S67E59-Q63 WeakPolarHBondContact O-CB 3.29Å; E59-Q63 PolarHBondContact O-N 2.94Å; Q63-V66 PolarHBondContact O-N 3.5Å; Q63-S67 PolarHBondContact O-N 3.27Å; Q63-S67 PolarHBondContact O-OG 3.13Å
64T75.7Confident73.6Confident50 Ų5082.6 Ų82.631%0.30748%0.475SS..Hα-helixtrans-67.6-37177.4-520000111.8V21 K60 I61 K62V21-T64 HydrophobicContact CG1-CG2 4.01Å; V21-T64 HydrophobicContact CG2-CG2 4.35Å; K60-T64 WeakPolarHBondContact O-CB 3.44Å; K60-T64 PolarHBondContact O-N 3.35Å; K60-T64 PolarHBondContact O-OG1 3.17Å; I61-T64 PolarHBondContact O-N 3.33Å; K62-T64 VanDerWaalsContact C-N 3.29Å; K62-T64 PolarHBondContact O-N 3.47Å
65C69.6Low71.8Confident41 Ų4185.6 Ų85.628%0.27749%0.493SS..Hα-helixtrans-67.8-41.3174.2-930000113.6V21 F25 I61 K62V21-C65 VanDerWaalsContact CG1-SG 3.59Å; F25-C65 WeakPolarHBondContact CB-SG 3.41Å; F25-C65 HydrophobicContact CD2-CB 4.15Å; F25-C65 HydrophobicContact CE2-CB 4.48Å; F25-C65 HydrophobicContact CG-CB 4.22Å; I61-C65 PolarHBondContact O-N 3Å; K62-C65 WeakPolarHBondContact O-CB 3.5Å; K62-C65 PolarHBondContact O-N 3.41Å; K62-C65 VanDerWaalsContact O-N 3.15Å
66V69.7Low69.8Low119 Ų11981.1 Ų81.172%0.72149%0.485SS*.Hα-helixtrans-68.9-33.5-178172.40000112K62 Q63 G68K62-V66 WeakPolarHBondContact O-CG2 3.4Å; K62-V66 PolarHBondContact O-N 2.98Å; Q63-V66 PolarHBondContact O-N 3.5Å; V66-G68 PolarHBondContact O-N 3.5Å
67S59.6Low68.2Low73 Ų7382.2 Ų82.251%0.5148%0.481SS..THydrogen-bonded Turntrans-68.110.6-174.3-57.60000115.1Q63 T69Q63-S67 PolarHBondContact O-N 3.27Å; Q63-S67 PolarHBondContact O-OG 3.13Å; S67-T69 PolarHBondContact O-N 2.95Å; S67-T69 PolarHBondContact O-OG1 3.35Å
68G51.9Low66.8Low69 Ų6989.6 Ų89.671%0.71150%0.503SS*.  trans59.74.3168.200000116.1V66 S70V66-G68 PolarHBondContact O-N 3.5Å; G68-S70 PolarHBondContact O-N 3.42Å
69T55.8Low65.7Low80 Ų8093.4 Ų93.449%0.49152%0.524SS..SBendtrans-79.268-168.5-43.40000110S67 S71 T79S67-T69 PolarHBondContact O-N 2.95Å; S67-T69 PolarHBondContact O-OG1 3.35Å; T69-S71 WeakPolarHBondContact O-CA 3.49Å; T69-S71 VanDerWaalsContact O-CB 3.27Å; T69-S71 WeakPolarHBondContact O-CB 3.38Å; T69-S71 PolarHBondContact O-N 2.87Å; T69-S71 PolarHBondContact O-OG 3.48Å; T69-T79 HydrophobicContact CG2-CG2 4.47Å
70S51.4Low65.1Low104 Ų10489.1 Ų89.173%0.72750%0.501SS*.SBendtrans38.332.8171.9-165.50000115.5G68G68-S70 PolarHBondContact O-N 3.42Å
71S51.6Low65.1Low22 Ų2285.4 Ų85.415%0.15449%0.492CS..THydrogen-bonded Turntrans-99.6-2.7-162-78.30000112.9T69 I73T69-S71 WeakPolarHBondContact O-CA 3.49Å; T69-S71 VanDerWaalsContact O-CB 3.27Å; T69-S71 WeakPolarHBondContact O-CB 3.38Å; T69-S71 PolarHBondContact O-N 2.87Å; T69-S71 PolarHBondContact O-OG 3.48Å; S71-I73 VanDerWaalsContact C-N 3.32Å
72S52.1Low65.2Low88 Ų8893.1 Ų93.162%0.61553%0.525SS*.THydrogen-bonded Turntrans-67.4-35177.956.70000111.6
73I51.8Low65.5Low148 Ų14890.8 Ų90.876%0.75952%0.516SS*.THydrogen-bonded Turntrans-94.7-39.4-178.2-57.5175.3000111.6S71 V75S71-I73 VanDerWaalsContact C-N 3.32Å; I73-V75 PolarHBondContact O-N 3.09Å
74A53.6Low65.9Low34 Ų3485.5 Ų85.528%0.28149%0.492SS..SBendtrans-80.6125.2-174.700000111.6S76 I77A74-S76 PolarHBondContact O-N 3.37Å; A74-I77 HydrophobicContact CB-CD1 3.91Å; A74-I77 HydrophobicContact CB-CG1 4.23Å
75V56.9Low66.6Low70 Ų7087.8 Ų87.842%0.42450%0.499SS..  trans-52.199.9169.11740000109.6A18 T20 I73 I77A18-V75 HydrophobicContact CB-CG1 3.57Å; A18-V75 HydrophobicContact CB-CG2 4.3Å; T20-V75 HydrophobicContact CG2-CG2 4.24Å; I73-V75 PolarHBondContact O-N 3.09Å; V75-I77 WeakPolarHBondContact O-CG1 3.46Å; V75-I77 PolarHBondContact O-N 3.47Å
76S52.3Low67.9Low53 Ų5390.9 Ų90.937%0.37151%0.51SS..  trans12.762.8170.7-178.40000113.9A74 R78A74-S76 PolarHBondContact O-N 3.37Å; S76-R78 PolarHBondContact O-N 3.47Å; S76-R78 VanDerWaalsContact O-N 3.08Å
77I60.6Low69.1Low126 Ų12685.2 Ų85.265%0.64648%0.475SS*.  trans-71.7112.9176.5-58.5177.8000102.4A74 V75 T79A74-I77 HydrophobicContact CB-CD1 3.91Å; A74-I77 HydrophobicContact CB-CG1 4.23Å; V75-I77 WeakPolarHBondContact O-CG1 3.46Å; V75-I77 PolarHBondContact O-N 3.47Å; I77-T79 PolarHBondContact O-N 3.11Å
78R63.1Low70.8Confident231 Ų23182 Ų8287%0.87245%0.452SS*.PPolyproline II helixtrans-52.6117.2178.5-67.7-179.4-179.9176.9-1.1106.4S76 R80S76-R78 PolarHBondContact O-N 3.47Å; S76-R78 VanDerWaalsContact O-N 3.08Å; R78-R80 PolarHBondContact O-N 3.24Å
79T69.9Low72.9Confident105 Ų10585 Ų8564%0.64445%0.445SS*.PPolyproline II helixtrans-58.7130.2178.242.20000108T69 I77T69-T79 HydrophobicContact CG2-CG2 4.47Å; I77-T79 PolarHBondContact O-N 3.11Å
80R77.8Confident74.9Confident76 Ų7684.9 Ų84.929%0.28744%0.442SS..PPolyproline II helixtrans-75.4136.4-179.8-168.473.4-172.1-97.1-0.4107.9R78 K82 L84 E85 E88 W140R78-R80 PolarHBondContact O-N 3.24Å; R80-K82 PolarHBondContact O-N 2.92Å; R80-L84 HydrophobicContact CG-CB 4.32Å; R80-E85 HydrophobicContact CB-CG 3.92Å; R80-E85 WeakPolarHBondContact CB-OE1 3.32Å; R80-E85 HydrophobicContact CG-CG 3.78Å; R80-E88 IonicContact CZ-OE1 3.6Å; R80-E88 IonicContact CZ-OE2 3.24Å; R80-E88 VanDerWaalsContact NH1-CD 3.31Å; R80-E88 IonicContact NH1-OE1 3.58Å; R80-E88 PolarHBondContact NH1-OE1 3.28Å; R80-E88 IonicContact NH1-OE2 3.75Å; R80-E88 PolarHBondContact NH1-OE2 3.36Å; R80-E88 IonicContact NH2-OE1 2.98Å; R80-E88 PolarHBondContact NH2-OE1 2.85Å; R80-E88 IonicContact NH2-OE2 2.79Å; R80-W140 VanDerWaalsContact NH2-CD1 3.27Å
81P86.3Confident77Confident70 Ų7080 Ų8046%0.45541%0.407SS..PPolyproline II helixtrans-58.9132.5173.5-24.732.9000111I83 L84 E85P81-I83 VanDerWaalsContact C-N 3.27Å; P81-I83 HydrophobicContact CB-CG2 4.32Å; P81-I83 PolarHBondContact O-N 3.18Å; P81-L84 HydrophobicContact CB-CD1 4.32Å; P81-L84 HydrophobicContact CB-CG 4.42Å; P81-L84 HydrophobicContact CG-CD1 4Å; P81-L84 WeakPolarHBondContact O-CB 3.31Å; P81-L84 PolarHBondContact O-N 3.27Å; P81-E85 PolarHBondContact O-N 3.23Å
82K88.6Confident79Confident179 Ų17979.2 Ų79.278%0.77840%0.402SS*.Hα-helixtrans-52.3-42.2-176.8-67.8-175.6176.7-177.50113.4R80 L84 E85 E86R80-K82 PolarHBondContact O-N 2.92Å; K82-L84 VanDerWaalsContact C-N 3.26Å; K82-L84 PolarHBondContact O-N 2.93Å; K82-E85 WeakPolarHBondContact O-CB 3.38Å; K82-E85 PolarHBondContact O-N 3.48Å; K82-E85 VanDerWaalsContact O-N 3.12Å; K82-E86 PolarHBondContact O-N 3.02Å
83I93Very high81Confident31 Ų3178.9 Ų78.916%0.15939%0.392CS..Hα-helixtrans-60-34.7177.5-171.6168.7000113.1P81 M87 Y118 L121 I131P81-I83 VanDerWaalsContact C-N 3.27Å; P81-I83 HydrophobicContact CB-CG2 4.32Å; P81-I83 PolarHBondContact O-N 3.18Å; I83-M87 WeakPolarHBondContact O-CB 3.31Å; I83-M87 PolarHBondContact O-N 2.74Å; I83-Y118 HydrophobicContact CD1-CE2 3.99Å; I83-Y118 HydrophobicContact CG1-CD2 4.35Å; I83-Y118 HydrophobicContact CG1-CE2 3.9Å; I83-Y118 HydrophobicContact CG2-CE2 4.02Å; I83-L121 HydrophobicContact CD1-CB 4.23Å; I83-L121 HydrophobicContact CG1-CB 4.13Å; I83-L121 HydrophobicContact CG1-CD1 4.47Å; I83-I131 HydrophobicContact CD1-CD1 3.8Å; I83-I131 HydrophobicContact CD1-CG1 4.45Å; I83-I131 HydrophobicContact CD1-CG2 3.76Å
84L92.1Very high83Confident27 Ų2774.4 Ų74.414%0.14137%0.366CS..Hα-helixtrans-73-38.4176.6-71.7175.7000111R80 P81 K82 E86 M87 E88 Y118 F134R80-L84 HydrophobicContact CG-CB 4.32Å; P81-L84 HydrophobicContact CB-CD1 4.32Å; P81-L84 HydrophobicContact CB-CG 4.42Å; P81-L84 HydrophobicContact CG-CD1 4Å; P81-L84 WeakPolarHBondContact O-CB 3.31Å; P81-L84 PolarHBondContact O-N 3.27Å; K82-L84 VanDerWaalsContact C-N 3.26Å; K82-L84 PolarHBondContact O-N 2.93Å; L84-E86 VanDerWaalsContact C-N 3.33Å; L84-M87 HydrophobicContact CD2-CE 4.49Å; L84-E88 WeakPolarHBondContact O-CB 3.45Å; L84-E88 WeakPolarHBondContact O-CG 3.17Å; L84-E88 PolarHBondContact O-N 3.26Å; L84-Y118 HydrophobicContact CD2-CD2 3.94Å; L84-Y118 HydrophobicContact CD2-CE2 3.57Å; L84-Y118 HydrophobicContact CG-CE2 4.27Å; L84-F134 HydrophobicContact CD2-CD2 3.71Å; L84-F134 HydrophobicContact CD2-CE2 3.99Å; L84-F134 HydrophobicContact CD2-CG 4.42Å
85E91.7Very high84.8Confident98 Ų9872.8 Ų72.846%0.45835%0.353SS..Hα-helixtrans-62.2-42.9175.5-62.4179.3167.200111.2R80 P81 K82 E88 K89R80-E85 HydrophobicContact CB-CG 3.92Å; R80-E85 WeakPolarHBondContact CB-OE1 3.32Å; R80-E85 HydrophobicContact CG-CG 3.78Å; P81-E85 PolarHBondContact O-N 3.23Å; K82-E85 WeakPolarHBondContact O-CB 3.38Å; K82-E85 PolarHBondContact O-N 3.48Å; K82-E85 VanDerWaalsContact O-N 3.12Å; E85-E88 PolarHBondContact O-N 3.05Å; E85-K89 WeakPolarHBondContact O-CB 3.21Å; E85-K89 PolarHBondContact O-N 3.2Å
86E95.1Very high86.4Confident106 Ų10674 Ų7450%0.49535%0.353SS..Hα-helixtrans-65.5-47.2177.7-173.5167.6-159.600112K82 L84 E88 K89 L90 L121K82-E86 PolarHBondContact O-N 3.02Å; L84-E86 VanDerWaalsContact C-N 3.33Å; E86-E88 VanDerWaalsContact C-N 3.33Å; E86-E88 PolarHBondContact O-N 2.79Å; E86-K89 PolarHBondContact O-N 2.86Å; E86-L90 WeakPolarHBondContact O-CG 3.34Å; E86-L90 PolarHBondContact O-N 3.15Å; E86-L121 HydrophobicContact CB-CD1 4.18Å; E86-L121 HydrophobicContact CG-CD1 4Å; E86-L121 HydrophobicContact CG-CD2 3.96Å
87M96.9Very high88.2Confident0 Ų074 Ų740%035%0.351CS..Hα-helixtrans-58.8-44.1174.7179.3-129.951.200111.6I83 L84 K89 L90 L91 A114 I117 Y118 L121 F134 W140I83-M87 WeakPolarHBondContact O-CB 3.31Å; I83-M87 PolarHBondContact O-N 2.74Å; L84-M87 HydrophobicContact CD2-CE 4.49Å; M87-K89 VanDerWaalsContact C-N 3.35Å; M87-K89 PolarHBondContact O-N 3.38Å; M87-L90 PolarHBondContact O-N 2.81Å; M87-L91 VanDerWaalsContact O-CB 3.26Å; M87-L91 WeakPolarHBondContact O-CB 3.4Å; M87-L91 PolarHBondContact O-N 3.19Å; M87-A114 HydrophobicContact SD-CB 4.07Å; M87-I117 HydrophobicContact CB-CG2 4.03Å; M87-I117 HydrophobicContact CG-CB 4Å; M87-I117 HydrophobicContact CG-CG2 3.61Å; M87-Y118 HydrophobicContact CB-CD2 4.34Å; M87-Y118 HydrophobicContact CG-CD2 4.33Å; M87-Y118 HydrophobicContact SD-CD2 4.12Å; M87-L121 HydrophobicContact CB-CD1 3.68Å; M87-F134 HydrophobicContact CE-CZ 4.25Å; M87-F134 HydrophobicContact SD-CD1 4.2Å; M87-F134 HydrophobicContact SD-CE1 3.64Å; M87-F134 HydrophobicContact SD-CE2 4.45Å; M87-F134 HydrophobicContact SD-CZ 3.79Å; M87-W140 HydrophobicContact CE-CZ2 3.58Å; M87-W140 HydrophobicContact SD-CZ2 4.45Å
88E95.3Very high89.5Confident5 Ų569.2 Ų69.22%0.02333%0.326CS..Hα-helixtrans-65.5-38.1179.4-74.1178.916400111.9R80 L84 E85 E86 L91 S92 W140 F144 Y148R80-E88 IonicContact CZ-OE1 3.6Å; R80-E88 IonicContact CZ-OE2 3.24Å; R80-E88 VanDerWaalsContact NH1-CD 3.31Å; R80-E88 IonicContact NH1-OE1 3.58Å; R80-E88 PolarHBondContact NH1-OE1 3.28Å; R80-E88 IonicContact NH1-OE2 3.75Å; R80-E88 PolarHBondContact NH1-OE2 3.36Å; R80-E88 IonicContact NH2-OE1 2.98Å; R80-E88 PolarHBondContact NH2-OE1 2.85Å; R80-E88 IonicContact NH2-OE2 2.79Å; L84-E88 WeakPolarHBondContact O-CB 3.45Å; L84-E88 WeakPolarHBondContact O-CG 3.17Å; L84-E88 PolarHBondContact O-N 3.26Å; E85-E88 PolarHBondContact O-N 3.05Å; E86-E88 VanDerWaalsContact C-N 3.33Å; E86-E88 PolarHBondContact O-N 2.79Å; E88-L91 PolarHBondContact O-N 3.42Å; E88-S92 PolarHBondContact O-N 2.92Å; E88-W140 HydrophobicContact CG-CZ2 4.29Å; E88-W140 PolarHBondContact OE1-NE1 2.67Å; E88-F144 HydrophobicContact CB-CD2 3.93Å; E88-F144 HydrophobicContact CB-CE2 4.01Å; E88-F144 HydrophobicContact CG-CD2 3.77Å; E88-F144 HydrophobicContact CG-CE2 4.27Å; E88-Y148 HydrophobicContact CB-CE2 3.69Å; E88-Y148 WeakPolarHBondContact CB-OH 2.99Å
89K95.6Very high90.5Very high132 Ų13261 Ų6157%0.57430%0.302SS*.Hα-helixtrans-65.5-44.7175.6-175.5-177.1178.2-175.30111.9E85 E86 M87 L91 S92 I93 Y148E85-K89 WeakPolarHBondContact O-CB 3.21Å; E85-K89 PolarHBondContact O-N 3.2Å; E86-K89 PolarHBondContact O-N 2.86Å; M87-K89 VanDerWaalsContact C-N 3.35Å; M87-K89 PolarHBondContact O-N 3.38Å; K89-L91 VanDerWaalsContact C-N 3.27Å; K89-L91 PolarHBondContact O-N 3.47Å; K89-S92 PolarHBondContact O-N 3.29Å; K89-S92 PolarHBondContact O-OG 2.91Å; K89-I93 HydrophobicContact CG-CD1 4.41Å; K89-I93 WeakPolarHBondContact O-CG1 3.47Å; K89-I93 PolarHBondContact O-N 3.42Å; K89-Y148 WeakPolarHBondContact CA-OH 3.34Å; K89-Y148 PolarHBondContact N-OH 2.97Å; K89-Y148 VanDerWaalsContact N-OH 3.13Å
90L97.3Very high91.3Very high78 Ų7863.6 Ų63.641%0.40831%0.309SS..Hα-helixtrans-63.7-38.2175.3-70.1175.3000111.4E86 M87 W94 I117 L121E86-L90 WeakPolarHBondContact O-CG 3.34Å; E86-L90 PolarHBondContact O-N 3.15Å; M87-L90 PolarHBondContact O-N 2.81Å; L90-W94 PolarHBondContact O-N 2.97Å; L90-I117 HydrophobicContact CB-CD1 4.15Å; L90-I117 HydrophobicContact CB-CG2 3.91Å; L90-I117 HydrophobicContact CD1-CG2 3.78Å; L90-I117 HydrophobicContact CG-CG2 4.5Å; L90-L121 HydrophobicContact CD1-CD1 4.27Å; L90-L121 HydrophobicContact CD1-CD2 4.2Å; L90-L121 HydrophobicContact CD1-CG 4.44Å
91L95.8Very high91.8Very high0 Ų066.6 Ų66.60%032%0.324CS..Hα-helixtrans-66.9-39.4177.1-17265.5000112.2M87 E88 K89 W94 I95 V110 K113 A114 I117 W140 F144M87-L91 VanDerWaalsContact O-CB 3.26Å; M87-L91 WeakPolarHBondContact O-CB 3.4Å; M87-L91 PolarHBondContact O-N 3.19Å; E88-L91 PolarHBondContact O-N 3.42Å; K89-L91 VanDerWaalsContact C-N 3.27Å; K89-L91 PolarHBondContact O-N 3.47Å; L91-W94 HydrophobicContact CD1-CE3 3.98Å; L91-W94 HydrophobicContact CD1-CZ3 4.49Å; L91-W94 PolarHBondContact O-N 3.12Å; L91-I95 HydrophobicContact CG-CD1 4.32Å; L91-I95 WeakPolarHBondContact O-CG1 3.11Å; L91-I95 PolarHBondContact O-N 3.45Å; L91-V110 HydrophobicContact CD1-CG1 4.07Å; L91-V110 HydrophobicContact CD2-CG1 3.69Å; L91-V110 HydrophobicContact CG-CG1 4.09Å; L91-K113 HydrophobicContact CD1-CB 3.86Å; L91-K113 HydrophobicContact CD1-CG 3.84Å; L91-A114 HydrophobicContact CD1-CB 4.34Å; L91-A114 HydrophobicContact CD2-CB 3.69Å; L91-I117 HydrophobicContact CB-CD1 4.15Å; L91-I117 HydrophobicContact CD1-CD1 4.08Å; L91-W140 HydrophobicContact CD2-CH2 3.59Å; L91-W140 HydrophobicContact CD2-CZ2 3.99Å; L91-F144 HydrophobicContact CB-CZ 4.29Å; L91-F144 HydrophobicContact CD2-CE1 4.01Å; L91-F144 HydrophobicContact CD2-CE2 4.2Å; L91-F144 HydrophobicContact CD2-CZ 3.8Å; L91-F144 HydrophobicContact CG-CE1 4.44Å; L91-F144 HydrophobicContact CG-CZ 3.96Å
92S93.7Very high91.5Very high7 Ų773.8 Ų73.85%0.04934%0.342CS..Hα-helixtrans-62.8-46177.774.70000111.3E88 K89 W94 I95 E96 Y148E88-S92 PolarHBondContact O-N 2.92Å; K89-S92 PolarHBondContact O-N 3.29Å; K89-S92 PolarHBondContact O-OG 2.91Å; S92-W94 VanDerWaalsContact C-N 3.28Å; S92-W94 PolarHBondContact O-N 3.24Å; S92-I95 PolarHBondContact O-N 2.75Å; S92-E96 WeakPolarHBondContact O-CG 2.98Å; S92-E96 PolarHBondContact O-N 3.21Å; S92-Y148 WeakPolarHBondContact OG-CE1 3.36Å
93I94.1Very high91.1Very high81 Ų8169.4 Ų69.442%0.41533%0.326SS..Hα-helixtrans-59.9-41175.5-64.3164.9000110.6K89 E96 T97K89-I93 HydrophobicContact CG-CD1 4.41Å; K89-I93 WeakPolarHBondContact O-CG1 3.47Å; K89-I93 PolarHBondContact O-N 3.42Å; I93-E96 PolarHBondContact O-N 3.17Å; I93-T97 PolarHBondContact O-N 3.2Å; I93-T97 PolarHBondContact O-OG1 2.76Å
94W94.5Very high90.3Very high54 Ų5470.1 Ų70.121%0.20534%0.341CS..Hα-helixtrans-64.2-42.7176.7176.479.9000112.3L90 L91 S92 T97 Q98 T105 V110 K113L90-W94 PolarHBondContact O-N 2.97Å; L91-W94 HydrophobicContact CD1-CE3 3.98Å; L91-W94 HydrophobicContact CD1-CZ3 4.49Å; L91-W94 PolarHBondContact O-N 3.12Å; S92-W94 VanDerWaalsContact C-N 3.28Å; S92-W94 PolarHBondContact O-N 3.24Å; W94-T97 WeakPolarHBondContact O-CB 3.32Å; W94-T97 PolarHBondContact O-N 2.89Å; W94-Q98 HydrophobicContact CD2-CG 4Å; W94-Q98 HydrophobicContact CE3-CG 4.26Å; W94-Q98 HydrophobicContact CH2-CG 3.92Å; W94-Q98 HydrophobicContact CZ2-CG 3.63Å; W94-Q98 HydrophobicContact CZ3-CG 4.22Å; W94-Q98 VanDerWaalsContact NE1-NE2 3.13Å; W94-Q98 WeakPolarHBondContact O-CG 3.1Å; W94-Q98 PolarHBondContact O-N 2.9Å; W94-T105 HydrophobicContact CH2-CG2 4.05Å; W94-T105 HydrophobicContact CZ3-CG2 3.83Å; W94-V110 HydrophobicContact CZ3-CG2 4.34Å; W94-K113 HydrophobicContact CD2-CB 4.33Å; W94-K113 HydrophobicContact CD2-CD 4.13Å; W94-K113 HydrophobicContact CD2-CG 3.61Å; W94-K113 HydrophobicContact CE3-CB 4.1Å; W94-K113 HydrophobicContact CE3-CG 3.79Å; W94-K113 HydrophobicContact CG-CD 4.34Å; W94-K113 HydrophobicContact CG-CG 4.03Å; W94-K113 HydrophobicContact CH2-CB 4.09Å; W94-K113 HydrophobicContact CH2-CG 4.36Å; W94-K113 HydrophobicContact CZ2-CB 4.3Å; W94-K113 HydrophobicContact CZ2-CD 4.3Å; W94-K113 HydrophobicContact CZ2-CG 4.19Å; W94-K113 HydrophobicContact CZ3-CB 3.98Å; W94-K113 HydrophobicContact CZ3-CG 4.17Å
95I91.4Very high89.8Confident0 Ų069.4 Ų69.40%034%0.338CS..Hα-helixtrans-63.1-42.8176.4-68.9172.1000111L91 S92 T97 Q98 T99 V110 F144 F150 V153 L155L91-I95 HydrophobicContact CG-CD1 4.32Å; L91-I95 WeakPolarHBondContact O-CG1 3.11Å; L91-I95 PolarHBondContact O-N 3.45Å; S92-I95 PolarHBondContact O-N 2.75Å; I95-T97 VanDerWaalsContact C-N 3.29Å; I95-T97 PolarHBondContact O-N 3.08Å; I95-Q98 PolarHBondContact O-N 3.47Å; I95-T99 WeakPolarHBondContact O-CB 3.34Å; I95-T99 PolarHBondContact O-N 3.04Å; I95-T99 PolarHBondContact O-OG1 2.03Å; I95-V110 HydrophobicContact CD1-CG1 4Å; I95-V110 HydrophobicContact CD1-CG2 4Å; I95-V110 HydrophobicContact CG1-CG2 4.29Å; I95-F144 HydrophobicContact CD1-CE1 3.57Å; I95-F144 HydrophobicContact CD1-CZ 3.78Å; I95-F150 HydrophobicContact CB-CZ 4.27Å; I95-F150 HydrophobicContact CD1-CD2 4.48Å; I95-F150 HydrophobicContact CD1-CE2 4.08Å; I95-F150 HydrophobicContact CD1-CZ 4.41Å; I95-F150 HydrophobicContact CG2-CD1 4.4Å; I95-F150 HydrophobicContact CG2-CE1 4.02Å; I95-F150 HydrophobicContact CG2-CZ 4.18Å; I95-V153 HydrophobicContact CG2-CG1 4.25Å; I95-L155 HydrophobicContact CD1-CD1 4.38Å
96E88.8Confident89.4Confident94 Ų9466.2 Ų66.244%0.43933%0.325SS..Hα-helixtrans-58.8-44174.7-73.1167.7-160.700110.8S92 I93 Q98 T99 M100S92-E96 WeakPolarHBondContact O-CG 2.98Å; S92-E96 PolarHBondContact O-N 3.21Å; I93-E96 PolarHBondContact O-N 3.17Å; E96-Q98 PolarHBondContact O-N 3.17Å; E96-T99 WeakPolarHBondContact O-CB 3.41Å; E96-T99 PolarHBondContact O-N 3.37Å; E96-M100 WeakPolarHBondContact O-CG 3.48Å; E96-M100 PolarHBondContact O-N 3.31Å
97T90.7Very high89Confident54 Ų5461.5 Ų61.533%0.33130%0.303SS..Hα-helixtrans-61-43175.4-55.40000111.9I93 W94 I95 T99 M100 K101I93-T97 PolarHBondContact O-N 3.2Å; I93-T97 PolarHBondContact O-OG1 2.76Å; W94-T97 WeakPolarHBondContact O-CB 3.32Å; W94-T97 PolarHBondContact O-N 2.89Å; I95-T97 VanDerWaalsContact C-N 3.29Å; I95-T97 PolarHBondContact O-N 3.08Å; T97-T99 VanDerWaalsContact C-N 3.32Å; T97-T99 PolarHBondContact O-N 3.46Å; T97-M100 PolarHBondContact O-N 2.9Å; T97-K101 HydrophobicContact CG2-CD 4.39Å; T97-K101 WeakPolarHBondContact O-CG 3.48Å; T97-K101 PolarHBondContact O-N 3.47Å; T97-K101 VanDerWaalsContact O-N 3.07Å
98Q88.1Confident88.6Confident25 Ų2566.9 Ų66.912%0.11733%0.327CS..Hα-helixtrans-63.7-40.5175.8-61.3-38.9-69.200111.3W94 I95 E96 M100 K101 R102 I103 T105W94-Q98 HydrophobicContact CD2-CG 4Å; W94-Q98 HydrophobicContact CE3-CG 4.26Å; W94-Q98 HydrophobicContact CH2-CG 3.92Å; W94-Q98 HydrophobicContact CZ2-CG 3.63Å; W94-Q98 HydrophobicContact CZ3-CG 4.22Å; W94-Q98 VanDerWaalsContact NE1-NE2 3.13Å; W94-Q98 WeakPolarHBondContact O-CG 3.1Å; W94-Q98 PolarHBondContact O-N 2.9Å; I95-Q98 PolarHBondContact O-N 3.47Å; E96-Q98 PolarHBondContact O-N 3.17Å; Q98-M100 PolarHBondContact O-N 2.88Å; Q98-K101 CarbonylContact O-C 3.53Å; Q98-K101 PolarHBondContact O-N 3.1Å; Q98-R102 PolarHBondContact O-N 3.18Å; Q98-R102 VanDerWaalsContact O-N 3.12Å; Q98-I103 HydrophobicContact CB-CB 4.41Å; Q98-I103 PolarHBondContact O-N 2.9Å; Q98-T105 WeakPolarHBondContact CB-OG1 3.34Å
99T84.1Confident88.4Confident59 Ų5968.9 Ų68.936%0.36234%0.34SS..Hα-helixtrans-63.6-41.5178.7-54.90000111.3I95 E96 T97 R102I95-T99 WeakPolarHBondContact O-CB 3.34Å; I95-T99 PolarHBondContact O-N 3.04Å; I95-T99 PolarHBondContact O-OG1 2.03Å; E96-T99 WeakPolarHBondContact O-CB 3.41Å; E96-T99 PolarHBondContact O-N 3.37Å; T97-T99 VanDerWaalsContact C-N 3.32Å; T97-T99 PolarHBondContact O-N 3.46Å; T99-R102 PolarHBondContact O-N 3.28Å; T99-R102 VanDerWaalsContact O-N 3.12Å
100M86.6Confident88.2Confident160 Ų16062.6 Ų62.679%0.78831%0.312SS*.Hα-helixtrans-63-40.7174.2-72.2-178.2176.900112.2E96 T97 Q98 R102E96-M100 WeakPolarHBondContact O-CG 3.48Å; E96-M100 PolarHBondContact O-N 3.31Å; T97-M100 PolarHBondContact O-N 2.9Å; Q98-M100 PolarHBondContact O-N 2.88Å; M100-R102 PolarHBondContact O-N 2.98Å
101K87.8Confident87.9Confident138 Ų13861.8 Ų61.860%0.630%0.304SS*.THydrogen-bonded Turntrans-74.40.8175.5-67.2-179.1179.4-170.20113.7T97 Q98 I103T97-K101 HydrophobicContact CG2-CD 4.39Å; T97-K101 WeakPolarHBondContact O-CG 3.48Å; T97-K101 PolarHBondContact O-N 3.47Å; T97-K101 VanDerWaalsContact O-N 3.07Å; Q98-K101 CarbonylContact O-C 3.53Å; Q98-K101 PolarHBondContact O-N 3.1Å; K101-I103 HydrophobicContact CB-CD1 3.75Å; K101-I103 HydrophobicContact CB-CG1 3.85Å; K101-I103 HydrophobicContact CD-CD1 4.02Å; K101-I103 PolarHBondContact O-N 3.35Å; K101-I103 VanDerWaalsContact O-N 3.16Å
102R80.6Confident87.8Confident222 Ų22268 Ų6884%0.83833%0.333SS*.THydrogen-bonded Turntrans56.523.8-174-56-64.4-169.8175.11.9113.6Q98 T99 M100 G104Q98-R102 PolarHBondContact O-N 3.18Å; Q98-R102 VanDerWaalsContact O-N 3.12Å; T99-R102 PolarHBondContact O-N 3.28Å; T99-R102 VanDerWaalsContact O-N 3.12Å; M100-R102 PolarHBondContact O-N 2.98Å; R102-G104 PolarHBondContact O-N 2.84Å
103I80.6Confident87.9Confident86 Ų8671.1 Ų71.144%0.44135%0.345SS..  trans-82.1120.2177.2-62170.1000108.1Q98 K101 T105Q98-I103 HydrophobicContact CB-CB 4.41Å; Q98-I103 PolarHBondContact O-N 2.9Å; K101-I103 HydrophobicContact CB-CD1 3.75Å; K101-I103 HydrophobicContact CB-CG1 3.85Å; K101-I103 HydrophobicContact CD-CD1 4.02Å; K101-I103 PolarHBondContact O-N 3.35Å; K101-I103 VanDerWaalsContact O-N 3.16Å; I103-T105 PolarHBondContact O-N 2.98Å; I103-T105 PolarHBondContact O-OG1 2.64Å
104G74.8Confident88.1Confident47 Ų4767.2 Ų67.249%0.48533%0.326SS..  trans-57.2112174.300000110.5R102R102-G104 PolarHBondContact O-N 2.84Å
105T82.8Confident88.2Confident11 Ų1167.2 Ų67.27%0.06733%0.331CS..  trans-97.1122.5177-55.30000108.9W94 Q98 I103 V110 L155W94-T105 HydrophobicContact CH2-CG2 4.05Å; W94-T105 HydrophobicContact CZ3-CG2 3.83Å; Q98-T105 WeakPolarHBondContact CB-OG1 3.34Å; I103-T105 PolarHBondContact O-N 2.98Å; I103-T105 PolarHBondContact O-OG1 2.64Å; T105-V110 HydrophobicContact CG2-CG2 3.37Å; T105-L155 HydrophobicContact CG2-CD2 3.63Å; T105-L155 WeakPolarHBondContact O-CD2 3.42Å
106T84.1Confident88.5Confident32 Ų3270.5 Ų70.520%0.19635%0.351CS..  trans-105.3165.2179.467.80000111.3F108 T109 V110 L155T106-F108 PolarHBondContact O-N 2.76Å; T106-T109 PolarHBondContact N-OG1 2.74Å; T106-T109 PolarHBondContact O-N 3.19Å; T106-T109 PolarHBondContact O-OG1 3.3Å; T106-T109 PolarHBondContact OG1-N 2.92Å; T106-T109 PolarHBondContact OG1-OG1 3.41Å; T106-V110 WeakPolarHBondContact O-CG2 3.44Å; T106-V110 PolarHBondContact O-N 3.48Å; T106-L155 CarbonylContact C-O 3.45Å
107F86.5Confident88.9Confident6 Ų666.8 Ų66.83%0.02633%0.334CS..Hα-helixtrans-51.6-43.1175.8169.3-109.7000111.9V110 R111 F141 L155 N237 C239F107-V110 PolarHBondContact O-N 2.92Å; F107-R111 VanDerWaalsContact O-CB 3.29Å; F107-R111 WeakPolarHBondContact O-CB 3.49Å; F107-R111 PolarHBondContact O-N 2.9Å; F107-F141 HydrophobicContact CD2-CB 4.19Å; F107-F141 AromaticContact CD2-CD1 3.44Å; F107-F141 HydrophobicContact CD2-CD1 3.44Å; F107-F141 VanDerWaalsContact CD2-CD1 3.44Å; F107-F141 HydrophobicContact CD2-CD2 4.15Å; F107-F141 AromaticContact CD2-CE1 3.75Å; F107-F141 HydrophobicContact CD2-CE1 3.75Å; F107-F141 HydrophobicContact CD2-CE2 4.43Å; F107-F141 AromaticContact CD2-CG 3.65Å; F107-F141 HydrophobicContact CD2-CG 3.65Å; F107-F141 HydrophobicContact CD2-CZ 4.24Å; F107-F141 HydrophobicContact CE2-CB 3.69Å; F107-F141 AromaticContact CE2-CD1 3.75Å; F107-F141 HydrophobicContact CE2-CD1 3.75Å; F107-F141 HydrophobicContact CE2-CD2 4.41Å; F107-F141 HydrophobicContact CE2-CE1 4.5Å; F107-F141 AromaticContact CE2-CG 3.68Å; F107-F141 HydrophobicContact CE2-CG 3.68Å; F107-L155 WeakPolarHBondContact CA-O 3.39Å; F107-L155 WeakPolarHBondContact CB-O 3.34Å; F107-L155 PolarHBondContact N-O 3.29Å; F107-N237 WeakPolarHBondContact CE1-O 3.46Å; F107-C239 HydrophobicContact CB-CB 3.72Å; F107-C239 HydrophobicContact CD1-CB 4.1Å; F107-C239 HydrophobicContact CD2-CB 3.99Å; F107-C239 HydrophobicContact CG-CB 3.65Å
108F87.8Confident89.2Confident113 Ų11364.5 Ų64.550%0.49632%0.32SS..Hα-helixtrans-65.9-43.4-179.7-63.3-72.4000112.4T106 R111 Q112T106-F108 PolarHBondContact O-N 2.76Å; F108-R111 WeakPolarHBondContact O-CB 3.19Å; F108-R111 PolarHBondContact O-N 2.8Å; F108-Q112 WeakPolarHBondContact O-CG 3.48Å; F108-Q112 PolarHBondContact O-N 3.44Å
109T90.4Very high89.6Confident48 Ų4866.7 Ų66.729%0.29433%0.33SS..Hα-helixtrans-67.4-39.6178.856.90000111.6T106 R111 Q112 K113T106-T109 PolarHBondContact N-OG1 2.74Å; T106-T109 PolarHBondContact O-N 3.19Å; T106-T109 PolarHBondContact O-OG1 3.3Å; T106-T109 PolarHBondContact OG1-N 2.92Å; T106-T109 PolarHBondContact OG1-OG1 3.41Å; T109-R111 VanDerWaalsContact C-N 3.34Å; T109-Q112 PolarHBondContact O-N 3.34Å; T109-K113 WeakPolarHBondContact O-CB 3.31Å; T109-K113 PolarHBondContact O-N 2.99Å
110V91.5Very high90.2Very high0 Ų067.2 Ų67.20%033%0.33CS..Hα-helixtrans-62.5-44.4174-178.30000110.5L91 W94 I95 T105 T106 F107 K113 A114 F141 F144 L155L91-V110 HydrophobicContact CD1-CG1 4.07Å; L91-V110 HydrophobicContact CD2-CG1 3.69Å; L91-V110 HydrophobicContact CG-CG1 4.09Å; W94-V110 HydrophobicContact CZ3-CG2 4.34Å; I95-V110 HydrophobicContact CD1-CG1 4Å; I95-V110 HydrophobicContact CD1-CG2 4Å; I95-V110 HydrophobicContact CG1-CG2 4.29Å; T105-V110 HydrophobicContact CG2-CG2 3.37Å; T106-V110 WeakPolarHBondContact O-CG2 3.44Å; T106-V110 PolarHBondContact O-N 3.48Å; F107-V110 PolarHBondContact O-N 2.92Å; V110-K113 PolarHBondContact O-N 3.19Å; V110-A114 VanDerWaalsContact O-CB 3.32Å; V110-A114 WeakPolarHBondContact O-CB 3.42Å; V110-A114 PolarHBondContact O-N 3.41Å; V110-F141 HydrophobicContact CB-CE2 3.96Å; V110-F141 HydrophobicContact CG1-CD2 4.07Å; V110-F141 HydrophobicContact CG1-CE2 3.73Å; V110-F141 HydrophobicContact CG2-CE2 4.17Å; V110-F144 HydrophobicContact CG1-CE1 4.38Å; V110-L155 HydrophobicContact CG2-CD1 4.49Å; V110-L155 HydrophobicContact CG2-CD2 3.91Å
111R92.2Very high90.6Very high60 Ų6060.3 Ų60.323%0.22630%0.297CS..Hα-helixtrans-58.8-51178.9-171.9-175.5171.4158.7-5.5111.4F107 F108 T109 K113 A114 V115 A136 N237F107-R111 VanDerWaalsContact O-CB 3.29Å; F107-R111 WeakPolarHBondContact O-CB 3.49Å; F107-R111 PolarHBondContact O-N 2.9Å; F108-R111 WeakPolarHBondContact O-CB 3.19Å; F108-R111 PolarHBondContact O-N 2.8Å; T109-R111 VanDerWaalsContact C-N 3.34Å; R111-K113 VanDerWaalsContact C-N 3.32Å; R111-K113 PolarHBondContact O-N 2.62Å; R111-A114 PolarHBondContact O-N 2.71Å; R111-V115 WeakPolarHBondContact O-CG2 3.27Å; R111-V115 PolarHBondContact O-N 3.1Å; R111-A136 HydrophobicContact CB-CB 4.47Å; R111-A136 VanDerWaalsContact CD-O 3.32Å; R111-A136 WeakPolarHBondContact CD-O 3.46Å; R111-A136 HydrophobicContact CG-CB 3.43Å; R111-A136 VanDerWaalsContact CG-CB 3.43Å; R111-A136 WeakPolarHBondContact CG-O 3.45Å; R111-A136 PolarHBondContact NE-O 3.46Å; R111-A136 VanDerWaalsContact NE-O 3.08Å; R111-N237 PolarHBondContact NH1-OD1 3.25Å
112Q93.8Very high90.9Very high132 Ų13255.9 Ų55.962%0.61728%0.277SS*.Hα-helixtrans-59.7-43.9178.3-74.1175-43.800111.6F108 T109 A114 V115 T116F108-Q112 WeakPolarHBondContact O-CG 3.48Å; F108-Q112 PolarHBondContact O-N 3.44Å; T109-Q112 PolarHBondContact O-N 3.34Å; Q112-A114 PolarHBondContact O-N 3.27Å; Q112-V115 PolarHBondContact O-N 2.81Å; Q112-T116 PolarHBondContact O-N 3.03Å; Q112-T116 PolarHBondContact O-OG1 3.24Å
113K95.6Very high91.6Very high71 Ų7152.4 Ų52.431%0.30927%0.269SS..Hα-helixtrans-64.9-40.8178.3-168.469.9178.4174.40112.1L91 W94 T109 V110 R111 T116 I117L91-K113 HydrophobicContact CD1-CB 3.86Å; L91-K113 HydrophobicContact CD1-CG 3.84Å; W94-K113 HydrophobicContact CD2-CB 4.33Å; W94-K113 HydrophobicContact CD2-CD 4.13Å; W94-K113 HydrophobicContact CD2-CG 3.61Å; W94-K113 HydrophobicContact CE3-CB 4.1Å; W94-K113 HydrophobicContact CE3-CG 3.79Å; W94-K113 HydrophobicContact CG-CD 4.34Å; W94-K113 HydrophobicContact CG-CG 4.03Å; W94-K113 HydrophobicContact CH2-CB 4.09Å; W94-K113 HydrophobicContact CH2-CG 4.36Å; W94-K113 HydrophobicContact CZ2-CB 4.3Å; W94-K113 HydrophobicContact CZ2-CD 4.3Å; W94-K113 HydrophobicContact CZ2-CG 4.19Å; W94-K113 HydrophobicContact CZ3-CB 3.98Å; W94-K113 HydrophobicContact CZ3-CG 4.17Å; T109-K113 WeakPolarHBondContact O-CB 3.31Å; T109-K113 PolarHBondContact O-N 2.99Å; V110-K113 PolarHBondContact O-N 3.19Å; R111-K113 VanDerWaalsContact C-N 3.32Å; R111-K113 PolarHBondContact O-N 2.62Å; K113-T116 PolarHBondContact O-N 2.9Å; K113-I117 HydrophobicContact CG-CD1 3.89Å; K113-I117 HydrophobicContact CG-CG1 4.39Å; K113-I117 VanDerWaalsContact O-CG1 3.3Å; K113-I117 WeakPolarHBondContact O-CG1 3.34Å; K113-I117 PolarHBondContact O-N 3.26Å
114A97.1Very high92.1Very high0 Ų055.7 Ų55.70%028%0.282CS..Hα-helixtrans-60.7-45.9176.800000111.9M87 L91 V110 R111 Q112 T116 I117 Y118 F134 W140M87-A114 HydrophobicContact SD-CB 4.07Å; L91-A114 HydrophobicContact CD1-CB 4.34Å; L91-A114 HydrophobicContact CD2-CB 3.69Å; V110-A114 VanDerWaalsContact O-CB 3.32Å; V110-A114 WeakPolarHBondContact O-CB 3.42Å; V110-A114 PolarHBondContact O-N 3.41Å; R111-A114 PolarHBondContact O-N 2.71Å; Q112-A114 PolarHBondContact O-N 3.27Å; A114-T116 VanDerWaalsContact C-N 3.33Å; A114-T116 PolarHBondContact O-N 3.26Å; A114-I117 PolarHBondContact O-N 3.36Å; A114-Y118 VanDerWaalsContact O-CB 3.31Å; A114-Y118 WeakPolarHBondContact O-CB 3.44Å; A114-Y118 PolarHBondContact O-N 2.65Å; A114-F134 HydrophobicContact CB-CE1 3.91Å; A114-F134 HydrophobicContact CB-CZ 4.31Å; A114-W140 HydrophobicContact CB-CH2 3.43Å; A114-W140 VanDerWaalsContact CB-CH2 3.43Å; A114-W140 HydrophobicContact CB-CZ2 4.17Å; A114-W140 HydrophobicContact CB-CZ3 4.02Å
115V97.1Very high92.8Very high54 Ų5455.9 Ų55.933%0.32728%0.276SS..Hα-helixtrans-60.4-45.1175.4176.20000110.7R111 Q112 I117 Y118 E119 F134 A136R111-V115 WeakPolarHBondContact O-CG2 3.27Å; R111-V115 PolarHBondContact O-N 3.1Å; Q112-V115 PolarHBondContact O-N 2.81Å; V115-I117 PolarHBondContact O-N 3.46Å; V115-Y118 PolarHBondContact O-N 2.67Å; V115-E119 HydrophobicContact CG1-CG 4.29Å; V115-E119 WeakPolarHBondContact O-CG 3.42Å; V115-E119 PolarHBondContact O-N 2.83Å; V115-F134 HydrophobicContact CG2-CD1 4.41Å; V115-F134 HydrophobicContact CG2-CE1 4.41Å; V115-A136 HydrophobicContact CG2-CB 3.98Å
116T97.6Very high93.1Very high68 Ų6861.7 Ų61.742%0.41731%0.312SS..Hα-helixtrans-59.2-51.1179-52.70000111.4Q112 K113 A114 Y118 E119 D120Q112-T116 PolarHBondContact O-N 3.03Å; Q112-T116 PolarHBondContact O-OG1 3.24Å; K113-T116 PolarHBondContact O-N 2.9Å; A114-T116 VanDerWaalsContact C-N 3.33Å; A114-T116 PolarHBondContact O-N 3.26Å; T116-Y118 VanDerWaalsContact C-N 3.29Å; T116-Y118 PolarHBondContact O-N 3.46Å; T116-E119 PolarHBondContact O-N 3.46Å; T116-D120 VanDerWaalsContact O-CG 3.27Å; T116-D120 PolarHBondContact O-N 3.49Å
117I97.9Very high93.2Very high16 Ų1663.9 Ų63.98%0.08232%0.322CS..Hα-helixtrans-60-42178.4-67.4168.7000110.8M87 L90 L91 K113 A114 V115 D120 L121M87-I117 HydrophobicContact CB-CG2 4.03Å; M87-I117 HydrophobicContact CG-CB 4Å; M87-I117 HydrophobicContact CG-CG2 3.61Å; L90-I117 HydrophobicContact CB-CD1 4.15Å; L90-I117 HydrophobicContact CB-CG2 3.91Å; L90-I117 HydrophobicContact CD1-CG2 3.78Å; L90-I117 HydrophobicContact CG-CG2 4.5Å; L91-I117 HydrophobicContact CB-CD1 4.15Å; L91-I117 HydrophobicContact CD1-CD1 4.08Å; K113-I117 HydrophobicContact CG-CD1 3.89Å; K113-I117 HydrophobicContact CG-CG1 4.39Å; K113-I117 VanDerWaalsContact O-CG1 3.3Å; K113-I117 WeakPolarHBondContact O-CG1 3.34Å; K113-I117 PolarHBondContact O-N 3.26Å; A114-I117 PolarHBondContact O-N 3.36Å; V115-I117 PolarHBondContact O-N 3.46Å; I117-D120 PolarHBondContact O-N 2.9Å; I117-L121 HydrophobicContact CG2-CD1 3.97Å; I117-L121 HydrophobicContact CG2-CG 4.39Å; I117-L121 WeakPolarHBondContact O-CB 3.33Å; I117-L121 WeakPolarHBondContact O-CG 3.36Å; I117-L121 PolarHBondContact O-N 2.95Å
118Y97.3Very high93.1Very high6 Ų666.1 Ų66.12%0.02434%0.337CS..Hα-helixtrans-64.6-45.1-179.3-170.3-91.6000112.3I83 L84 M87 A114 V115 T116 D120 L121 K122 I131 P132 F134I83-Y118 HydrophobicContact CD1-CE2 3.99Å; I83-Y118 HydrophobicContact CG1-CD2 4.35Å; I83-Y118 HydrophobicContact CG1-CE2 3.9Å; I83-Y118 HydrophobicContact CG2-CE2 4.02Å; L84-Y118 HydrophobicContact CD2-CD2 3.94Å; L84-Y118 HydrophobicContact CD2-CE2 3.57Å; L84-Y118 HydrophobicContact CG-CE2 4.27Å; M87-Y118 HydrophobicContact CB-CD2 4.34Å; M87-Y118 HydrophobicContact CG-CD2 4.33Å; M87-Y118 HydrophobicContact SD-CD2 4.12Å; A114-Y118 VanDerWaalsContact O-CB 3.31Å; A114-Y118 WeakPolarHBondContact O-CB 3.44Å; A114-Y118 PolarHBondContact O-N 2.65Å; V115-Y118 PolarHBondContact O-N 2.67Å; T116-Y118 VanDerWaalsContact C-N 3.29Å; T116-Y118 PolarHBondContact O-N 3.46Å; Y118-D120 VanDerWaalsContact C-N 3.32Å; Y118-D120 PolarHBondContact O-N 3.29Å; Y118-L121 PolarHBondContact O-N 2.85Å; Y118-K122 VanDerWaalsContact O-CB 3.31Å; Y118-K122 WeakPolarHBondContact O-CB 3.19Å; Y118-K122 PolarHBondContact O-N 3.21Å; Y118-I131 HydrophobicContact CE1-CG2 4.09Å; Y118-I131 WeakPolarHBondContact OH-CG2 3.44Å; Y118-P132 PolarHBondContact OH-O 3.16Å; Y118-F134 HydrophobicContact CD1-CB 3.28Å; Y118-F134 HydrophobicContact CD1-CD1 4.31Å; Y118-F134 HydrophobicContact CD1-CG 4.14Å; Y118-F134 HydrophobicContact CD2-CB 3.79Å; Y118-F134 HydrophobicContact CD2-CD1 4.19Å; Y118-F134 AromaticContact CD2-CG 3.95Å; Y118-F134 HydrophobicContact CD2-CG 3.95Å; Y118-F134 HydrophobicContact CE1-CB 3.34Å; Y118-F134 HydrophobicContact CE1-CG 4.48Å; Y118-F134 HydrophobicContact CE2-CB 3.85Å; Y118-F134 HydrophobicContact CE2-CG 4.32Å; Y118-F134 HydrophobicContact CG-CB 3.49Å; Y118-F134 VanDerWaalsContact CG-CB 3.49Å; Y118-F134 AromaticContact CG-CD1 3.81Å; Y118-F134 HydrophobicContact CG-CD1 3.81Å; Y118-F134 AromaticContact CG-CG 3.85Å; Y118-F134 HydrophobicContact CG-CG 3.85Å
119E96.1Very high93.1Very high72 Ų7267.3 Ų67.334%0.33635%0.354SS..Hα-helixtrans-64-38.1177-69.9-57.4138.600111.6V115 T116 K122 K123V115-E119 HydrophobicContact CG1-CG 4.29Å; V115-E119 WeakPolarHBondContact O-CG 3.42Å; V115-E119 PolarHBondContact O-N 2.83Å; T116-E119 PolarHBondContact O-N 3.46Å; E119-K122 PolarHBondContact O-N 3.41Å; E119-K123 VanDerWaalsContact O-CG 3.3Å; E119-K123 WeakPolarHBondContact O-CG 3.46Å; E119-K123 PolarHBondContact O-N 2.97Å
120D96.1Very high93Very high69 Ų6972 Ų7237%0.36937%0.372SS..Hα-helixtrans-66.2-43.9176.1-68.2-20.7000111.8T116 I117 Y118 K122 K123 Q124T116-D120 VanDerWaalsContact O-CG 3.27Å; T116-D120 PolarHBondContact O-N 3.49Å; I117-D120 PolarHBondContact O-N 2.9Å; Y118-D120 VanDerWaalsContact C-N 3.32Å; Y118-D120 PolarHBondContact O-N 3.29Å; D120-K122 VanDerWaalsContact C-N 3.32Å; D120-K122 PolarHBondContact O-N 3.43Å; D120-K123 PolarHBondContact O-N 3.41Å; D120-K123 IonicContact OD1-NZ 2.88Å; D120-Q124 VanDerWaalsContact O-CG 3.31Å; D120-Q124 WeakPolarHBondContact O-CG 3.44Å; D120-Q124 PolarHBondContact O-N 3.34Å
121L95.8Very high92.9Very high15 Ų1573 Ų738%0.07938%0.378CS..Hα-helixtrans-63.7-38.1173.9-72.4172.7000112.2I83 E86 M87 L90 I117 Y118 K123 Q124 S125I83-L121 HydrophobicContact CD1-CB 4.23Å; I83-L121 HydrophobicContact CG1-CB 4.13Å; I83-L121 HydrophobicContact CG1-CD1 4.47Å; E86-L121 HydrophobicContact CB-CD1 4.18Å; E86-L121 HydrophobicContact CG-CD1 4Å; E86-L121 HydrophobicContact CG-CD2 3.96Å; M87-L121 HydrophobicContact CB-CD1 3.68Å; L90-L121 HydrophobicContact CD1-CD1 4.27Å; L90-L121 HydrophobicContact CD1-CD2 4.2Å; L90-L121 HydrophobicContact CD1-CG 4.44Å; I117-L121 HydrophobicContact CG2-CD1 3.97Å; I117-L121 HydrophobicContact CG2-CG 4.39Å; I117-L121 WeakPolarHBondContact O-CB 3.33Å; I117-L121 WeakPolarHBondContact O-CG 3.36Å; I117-L121 PolarHBondContact O-N 2.95Å; Y118-L121 PolarHBondContact O-N 2.85Å; L121-K123 PolarHBondContact O-N 3.15Å; L121-Q124 PolarHBondContact O-N 2.98Å; L121-S125 PolarHBondContact O-N 2.94Å; L121-S125 VanDerWaalsContact O-N 3.17Å
122K94.5Very high92.8Very high45 Ų4574.4 Ų74.420%0.19639%0.394CS..Hα-helixtrans-61.9-43.3177-179.1173179.7172.90111.5Y118 E119 D120 Q124 S125 P128 I131Y118-K122 VanDerWaalsContact O-CB 3.31Å; Y118-K122 WeakPolarHBondContact O-CB 3.19Å; Y118-K122 PolarHBondContact O-N 3.21Å; E119-K122 PolarHBondContact O-N 3.41Å; D120-K122 VanDerWaalsContact C-N 3.32Å; D120-K122 PolarHBondContact O-N 3.43Å; K122-Q124 VanDerWaalsContact C-N 3.29Å; K122-Q124 PolarHBondContact O-N 3.14Å; K122-S125 PolarHBondContact O-N 3.43Å; K122-P128 WeakPolarHBondContact CE-O 3.36Å; K122-P128 HydrophobicContact CG-CB 4.47Å; K122-I131 HydrophobicContact CB-CD1 4.38Å; K122-I131 HydrophobicContact CB-CG2 4.45Å; K122-I131 HydrophobicContact CD-CB 4.23Å; K122-I131 HydrophobicContact CD-CG2 4.02Å; K122-I131 HydrophobicContact CG-CB 4.05Å; K122-I131 HydrophobicContact CG-CD1 4.01Å; K122-I131 HydrophobicContact CG-CG2 4.01Å; K122-I131 PolarHBondContact NZ-O 2.88Å
123K93.6Very high92.7Very high150 Ų15073.4 Ų73.465%0.65240%0.4SS*.Hα-helixtrans-65.2-30.7176.3-69.7167.3-170.9167.50113.2E119 D120 L121E119-K123 VanDerWaalsContact O-CG 3.3Å; E119-K123 WeakPolarHBondContact O-CG 3.46Å; E119-K123 PolarHBondContact O-N 2.97Å; D120-K123 PolarHBondContact O-N 3.41Å; D120-K123 IonicContact OD1-NZ 2.88Å; L121-K123 PolarHBondContact O-N 3.15Å
124Q91.7Very high92.6Very high154 Ų15471.4 Ų71.472%0.7239%0.391SS*.Hα-helixtrans-82.8-11.6179.6-68.617232.900113.5D120 L121 K122D120-Q124 VanDerWaalsContact O-CG 3.31Å; D120-Q124 WeakPolarHBondContact O-CG 3.44Å; D120-Q124 PolarHBondContact O-N 3.34Å; L121-Q124 PolarHBondContact O-N 2.98Å; K122-Q124 VanDerWaalsContact C-N 3.29Å; K122-Q124 PolarHBondContact O-N 3.14Å
125S90.3Very high92.4Very high51 Ų5176.1 Ų76.136%0.35742%0.42SS..SBendtrans-76153.1-179.5-169.70000112.5L121 K122 N127 I131L121-S125 PolarHBondContact O-N 2.94Å; L121-S125 VanDerWaalsContact O-N 3.17Å; K122-S125 PolarHBondContact O-N 3.43Å; S125-N127 VanDerWaalsContact C-N 3.3Å; S125-N127 PolarHBondContact O-N 3Å; S125-I131 WeakPolarHBondContact OG-CD1 3.46Å
126T88Confident92.1Very high134 Ų13473.6 Ų73.682%0.82241%0.405SS*.SBendtrans-56.4-41.4176.8-45.70000112.7P128T126-P128 WeakPolarHBondContact O-CD 3.47Å
127N87.5Confident91.7Very high77 Ų7771.8 Ų71.841%0.41240%0.395SS..  trans-125.577.3-176-65.9-21.3000111S125 T129 E130S125-N127 VanDerWaalsContact C-N 3.3Å; S125-N127 PolarHBondContact O-N 3Å; N127-T129 PolarHBondContact O-N 2.96Å; N127-E130 HydrophobicContact CB-CB 4.13Å; N127-E130 HydrophobicContact CB-CG 3.98Å; N127-E130 WeakPolarHBondContact CB-OE2 3.4Å; N127-E130 PolarHBondContact ND2-OE2 3.42Å; N127-E130 PolarHBondContact O-N 3.22Å; N127-E130 VanDerWaalsContact O-N 3.17Å
128P84.2Confident91.2Very high54 Ų5471.1 Ų71.135%0.35139%0.392SS..G310 helixtrans-60.1-31.2-176.423.3-33.6000113.1K122 T126 E130 I131K122-P128 WeakPolarHBondContact CE-O 3.36Å; K122-P128 HydrophobicContact CG-CB 4.47Å; T126-P128 WeakPolarHBondContact O-CD 3.47Å; P128-E130 VanDerWaalsContact C-N 3.33Å; P128-E130 PolarHBondContact O-N 3.02Å; P128-I131 PolarHBondContact O-N 3.18Å
129T87.4Confident90.7Very high137 Ų13772.2 Ų72.284%0.8440%0.404SS*.G310 helixtrans-70.9-26.5-178.8-46.10000113.2N127 I131N127-T129 PolarHBondContact O-N 2.96Å; T129-I131 VanDerWaalsContact C-N 3.32Å
130E87.8Confident90.4Very high146 Ų14669.1 Ų69.168%0.68239%0.39SS*.G310 helixtrans-81.8-14.8-179.8-65.4179.8167.900112.6N127 P128 P132N127-E130 HydrophobicContact CB-CB 4.13Å; N127-E130 HydrophobicContact CB-CG 3.98Å; N127-E130 WeakPolarHBondContact CB-OE2 3.4Å; N127-E130 PolarHBondContact ND2-OE2 3.42Å; N127-E130 PolarHBondContact O-N 3.22Å; N127-E130 VanDerWaalsContact O-N 3.17Å; P128-E130 VanDerWaalsContact C-N 3.33Å; P128-E130 PolarHBondContact O-N 3.02Å; E130-P132 WeakPolarHBondContact O-CD 3.43Å
131I89Confident90.2Very high22 Ų2265.9 Ų65.911%0.11337%0.372CS..SBendtrans-79119.2-177.1-66170.5000110.1I83 Y118 K122 S125 P128 T129I83-I131 HydrophobicContact CD1-CD1 3.8Å; I83-I131 HydrophobicContact CD1-CG1 4.45Å; I83-I131 HydrophobicContact CD1-CG2 3.76Å; Y118-I131 HydrophobicContact CE1-CG2 4.09Å; Y118-I131 WeakPolarHBondContact OH-CG2 3.44Å; K122-I131 HydrophobicContact CB-CD1 4.38Å; K122-I131 HydrophobicContact CB-CG2 4.45Å; K122-I131 HydrophobicContact CD-CB 4.23Å; K122-I131 HydrophobicContact CD-CG2 4.02Å; K122-I131 HydrophobicContact CG-CB 4.05Å; K122-I131 HydrophobicContact CG-CD1 4.01Å; K122-I131 HydrophobicContact CG-CG2 4.01Å; K122-I131 PolarHBondContact NZ-O 2.88Å; S125-I131 WeakPolarHBondContact OG-CD1 3.46Å; P128-I131 PolarHBondContact O-N 3.18Å; T129-I131 VanDerWaalsContact C-N 3.32Å
132P89.8Confident89.7Confident89 Ų8967.7 Ų67.758%0.57839%0.386SS*.PPolyproline II helixtrans-58.6150.8177.9-2434.6000112.6Y118 E130Y118-P132 PolarHBondContact OH-O 3.16Å; E130-P132 WeakPolarHBondContact O-CD 3.43Å
133P92.1Very high89.3Confident112 Ų11272.8 Ų72.873%0.72740%0.404SS*.PPolyproline II helixtrans-64.3139.9173.227.6-33.9000110.9
134F93.9Very high89.2Confident29 Ų2965.6 Ų65.613%0.12737%0.372CS..PPolyproline II helixtrans-94128.7175.8171-121.6000111.1L84 M87 A114 V115 Y118 A136 W140L84-F134 HydrophobicContact CD2-CD2 3.71Å; L84-F134 HydrophobicContact CD2-CE2 3.99Å; L84-F134 HydrophobicContact CD2-CG 4.42Å; M87-F134 HydrophobicContact CE-CZ 4.25Å; M87-F134 HydrophobicContact SD-CD1 4.2Å; M87-F134 HydrophobicContact SD-CE1 3.64Å; M87-F134 HydrophobicContact SD-CE2 4.45Å; M87-F134 HydrophobicContact SD-CZ 3.79Å; A114-F134 HydrophobicContact CB-CE1 3.91Å; A114-F134 HydrophobicContact CB-CZ 4.31Å; V115-F134 HydrophobicContact CG2-CD1 4.41Å; V115-F134 HydrophobicContact CG2-CE1 4.41Å; Y118-F134 HydrophobicContact CD1-CB 3.28Å; Y118-F134 HydrophobicContact CD1-CD1 4.31Å; Y118-F134 HydrophobicContact CD1-CG 4.14Å; Y118-F134 HydrophobicContact CD2-CB 3.79Å; Y118-F134 HydrophobicContact CD2-CD1 4.19Å; Y118-F134 AromaticContact CD2-CG 3.95Å; Y118-F134 HydrophobicContact CD2-CG 3.95Å; Y118-F134 HydrophobicContact CE1-CB 3.34Å; Y118-F134 HydrophobicContact CE1-CG 4.48Å; Y118-F134 HydrophobicContact CE2-CB 3.85Å; Y118-F134 HydrophobicContact CE2-CG 4.32Å; Y118-F134 HydrophobicContact CG-CB 3.49Å; Y118-F134 VanDerWaalsContact CG-CB 3.49Å; Y118-F134 AromaticContact CG-CD1 3.81Å; Y118-F134 HydrophobicContact CG-CD1 3.81Å; Y118-F134 AromaticContact CG-CG 3.85Å; Y118-F134 HydrophobicContact CG-CG 3.85Å; F134-A136 HydrophobicContact CD1-CB 4.45Å; F134-A136 HydrophobicContact CE1-CB 3.62Å; F134-A136 HydrophobicContact CZ-CB 3.68Å; F134-W140 AromaticContact CE2-CD2 3.95Å; F134-W140 HydrophobicContact CE2-CD2 3.95Å; F134-W140 AromaticContact CE2-CE2 3.94Å; F134-W140 HydrophobicContact CE2-CG 4.06Å; F134-W140 AromaticContact CZ-CD2 3.72Å; F134-W140 HydrophobicContact CZ-CD2 3.72Å; F134-W140 AromaticContact CZ-CE2 3.64Å; F134-W140 AromaticContact CZ-CE3 3.99Å; F134-W140 HydrophobicContact CZ-CE3 3.99Å; F134-W140 HydrophobicContact CZ-CG 4.32Å; F134-W140 HydrophobicContact CZ-CH2 4.11Å; F134-W140 AromaticContact CZ-CZ2 3.86Å; F134-W140 HydrophobicContact CZ-CZ2 3.86Å; F134-W140 HydrophobicContact CZ-CZ3 4.17Å
135T92.3Very high89Confident98 Ų9860.3 Ų60.360%0.60135%0.347SS*.  trans-111.6111.5170.4-58.40000109.2S137T135-S137 PolarHBondContact O-N 3.3Å
136A91.7Very high88.8Confident2 Ų262.4 Ų62.42%0.01735%0.354CS..  trans-78.167.3176.600000111.1R111 V115 F134 W140R111-A136 HydrophobicContact CB-CB 4.47Å; R111-A136 VanDerWaalsContact CD-O 3.32Å; R111-A136 WeakPolarHBondContact CD-O 3.46Å; R111-A136 HydrophobicContact CG-CB 3.43Å; R111-A136 VanDerWaalsContact CG-CB 3.43Å; R111-A136 WeakPolarHBondContact CG-O 3.45Å; R111-A136 PolarHBondContact NE-O 3.46Å; R111-A136 VanDerWaalsContact NE-O 3.08Å; V115-A136 HydrophobicContact CG2-CB 3.98Å; F134-A136 HydrophobicContact CD1-CB 4.45Å; F134-A136 HydrophobicContact CE1-CB 3.62Å; F134-A136 HydrophobicContact CZ-CB 3.68Å; A136-W140 HydrophobicContact CB-CE3 3.98Å; A136-W140 HydrophobicContact CB-CZ3 3.98Å
137S89.1Confident88.7Confident29 Ų2962.7 Ų62.720%0.20335%0.346CS..  trans-77.2161.9-179.963.70000112.6T135 G139 W140 F141T135-S137 PolarHBondContact O-N 3.3Å; S137-G139 PolarHBondContact O-N 3.11Å; S137-W140 PolarHBondContact O-N 3.03Å; S137-W140 VanDerWaalsContact O-N 3.1Å; S137-W140 PolarHBondContact OG-N 3.03Å; S137-F141 PolarHBondContact O-N 3.11Å
138S87.2Confident88.7Confident3 Ų362.3 Ų62.32%0.02134%0.339CS..Hα-helixtrans-51.7-41.5171.9179.70000112.8W140 F141 C142 D236 D238S138-W140 PolarHBondContact O-N 3.34Å; S138-F141 PolarHBondContact O-N 3.35Å; S138-C142 WeakPolarHBondContact O-CB 3.2Å; S138-C142 PolarHBondContact O-N 2.97Å; S138-D236 PolarHBondContact N-O 2.79Å; S138-D238 WeakPolarHBondContact CB-O 3.49Å; S138-D238 PolarHBondContact OG-O 3.11Å
139G86.1Confident88.6Confident28 Ų2863.5 Ų63.529%0.28935%0.349SS..Hα-helixtrans-65.6-37178.200000113.9S137 R143S137-G139 PolarHBondContact O-N 3.11Å; G139-R143 WeakPolarHBondContact O-CG 3.34Å; G139-R143 PolarHBondContact O-N 3.35Å; G139-R143 PolarHBondContact O-NE 3.08Å; G139-R143 PolarHBondContact O-NH1 3.49Å
140W90.8Very high88.1Confident8 Ų858 Ų583%0.0331%0.314CS..Hα-helixtrans-65.1-48172162.175.6000110.6R80 M87 E88 L91 A114 F134 A136 S137 S138 C142 R143 F144R80-W140 VanDerWaalsContact NH2-CD1 3.27Å; M87-W140 HydrophobicContact CE-CZ2 3.58Å; M87-W140 HydrophobicContact SD-CZ2 4.45Å; E88-W140 HydrophobicContact CG-CZ2 4.29Å; E88-W140 PolarHBondContact OE1-NE1 2.67Å; L91-W140 HydrophobicContact CD2-CH2 3.59Å; L91-W140 HydrophobicContact CD2-CZ2 3.99Å; A114-W140 HydrophobicContact CB-CH2 3.43Å; A114-W140 VanDerWaalsContact CB-CH2 3.43Å; A114-W140 HydrophobicContact CB-CZ2 4.17Å; A114-W140 HydrophobicContact CB-CZ3 4.02Å; F134-W140 AromaticContact CE2-CD2 3.95Å; F134-W140 HydrophobicContact CE2-CD2 3.95Å; F134-W140 AromaticContact CE2-CE2 3.94Å; F134-W140 HydrophobicContact CE2-CG 4.06Å; F134-W140 AromaticContact CZ-CD2 3.72Å; F134-W140 HydrophobicContact CZ-CD2 3.72Å; F134-W140 AromaticContact CZ-CE2 3.64Å; F134-W140 AromaticContact CZ-CE3 3.99Å; F134-W140 HydrophobicContact CZ-CE3 3.99Å; F134-W140 HydrophobicContact CZ-CG 4.32Å; F134-W140 HydrophobicContact CZ-CH2 4.11Å; F134-W140 AromaticContact CZ-CZ2 3.86Å; F134-W140 HydrophobicContact CZ-CZ2 3.86Å; F134-W140 HydrophobicContact CZ-CZ3 4.17Å; A136-W140 HydrophobicContact CB-CE3 3.98Å; A136-W140 HydrophobicContact CB-CZ3 3.98Å; S137-W140 PolarHBondContact O-N 3.03Å; S137-W140 VanDerWaalsContact O-N 3.1Å; S137-W140 PolarHBondContact OG-N 3.03Å; S138-W140 PolarHBondContact O-N 3.34Å; W140-C142 VanDerWaalsContact C-N 3.32Å; W140-C142 PolarHBondContact O-N 2.7Å; W140-R143 WeakPolarHBondContact O-CB 3.42Å; W140-R143 PolarHBondContact O-N 2.85Å; W140-R143 VanDerWaalsContact O-N 3.1Å; W140-F144 HydrophobicContact CZ2-CB 4.25Å; W140-F144 HydrophobicContact CZ2-CG 4.27Å; W140-F144 PolarHBondContact O-N 3.23Å
141F90.3Very high87.1Confident1 Ų157.2 Ų57.20%0.00431%0.31CS..Hα-helixtrans-60.7-40-178.7178.9-104.8000112.8F107 V110 S137 S138 R143 F144 K145 L155F107-F141 HydrophobicContact CD2-CB 4.19Å; F107-F141 AromaticContact CD2-CD1 3.44Å; F107-F141 HydrophobicContact CD2-CD1 3.44Å; F107-F141 VanDerWaalsContact CD2-CD1 3.44Å; F107-F141 HydrophobicContact CD2-CD2 4.15Å; F107-F141 AromaticContact CD2-CE1 3.75Å; F107-F141 HydrophobicContact CD2-CE1 3.75Å; F107-F141 HydrophobicContact CD2-CE2 4.43Å; F107-F141 AromaticContact CD2-CG 3.65Å; F107-F141 HydrophobicContact CD2-CG 3.65Å; F107-F141 HydrophobicContact CD2-CZ 4.24Å; F107-F141 HydrophobicContact CE2-CB 3.69Å; F107-F141 AromaticContact CE2-CD1 3.75Å; F107-F141 HydrophobicContact CE2-CD1 3.75Å; F107-F141 HydrophobicContact CE2-CD2 4.41Å; F107-F141 HydrophobicContact CE2-CE1 4.5Å; F107-F141 AromaticContact CE2-CG 3.68Å; F107-F141 HydrophobicContact CE2-CG 3.68Å; V110-F141 HydrophobicContact CB-CE2 3.96Å; V110-F141 HydrophobicContact CG1-CD2 4.07Å; V110-F141 HydrophobicContact CG1-CE2 3.73Å; V110-F141 HydrophobicContact CG2-CE2 4.17Å; S137-F141 PolarHBondContact O-N 3.11Å; S138-F141 PolarHBondContact O-N 3.35Å; F141-R143 PolarHBondContact O-N 3.05Å; F141-F144 HydrophobicContact CD2-CD1 4.21Å; F141-F144 HydrophobicContact CE2-CD1 4.32Å; F141-F144 PolarHBondContact O-N 2.88Å; F141-K145 HydrophobicContact CD1-CD 4.28Å; F141-K145 HydrophobicContact CD1-CG 4.42Å; F141-K145 HydrophobicContact CE1-CD 3.51Å; F141-K145 VanDerWaalsContact CE1-CE 3.47Å; F141-K145 HydrophobicContact CE1-CG 3.93Å; F141-K145 HydrophobicContact CE2-CG 4.2Å; F141-K145 HydrophobicContact CZ-CD 3.65Å; F141-K145 HydrophobicContact CZ-CG 3.79Å; F141-K145 PolarHBondContact O-N 2.94Å; F141-L155 HydrophobicContact CE1-CB 4.28Å; F141-L155 HydrophobicContact CE2-CD1 3.96Å; F141-L155 HydrophobicContact CZ-CB 3.55Å; F141-L155 HydrophobicContact CZ-CD1 3.59Å; F141-L155 HydrophobicContact CZ-CG 4.17Å
142C85.9Confident85.8Confident53 Ų5363.7 Ų63.736%0.35834%0.344SS..Hα-helixtrans-60.1-44174.5-174.70000112S138 W140 K145 N146S138-C142 WeakPolarHBondContact O-CB 3.2Å; S138-C142 PolarHBondContact O-N 2.97Å; W140-C142 VanDerWaalsContact C-N 3.32Å; W140-C142 PolarHBondContact O-N 2.7Å; C142-K145 PolarHBondContact O-N 2.76Å; C142-N146 PolarHBondContact O-N 2.87Å
143R87.5Confident84.6Confident151 Ų15161 Ų6157%0.5733%0.327SS*.Hα-helixtrans-65.5-42.8175.5-70.4-175.5-71.5-89.53.7112G139 W140 F141 N146 Q147G139-R143 WeakPolarHBondContact O-CG 3.34Å; G139-R143 PolarHBondContact O-N 3.35Å; G139-R143 PolarHBondContact O-NE 3.08Å; G139-R143 PolarHBondContact O-NH1 3.49Å; W140-R143 WeakPolarHBondContact O-CB 3.42Å; W140-R143 PolarHBondContact O-N 2.85Å; W140-R143 VanDerWaalsContact O-N 3.1Å; F141-R143 PolarHBondContact O-N 3.05Å; R143-N146 PolarHBondContact O-N 3.42Å; R143-Q147 WeakPolarHBondContact O-CB 3.43Å; R143-Q147 PolarHBondContact O-N 3.28Å
144F90.1Very high83.3Confident0 Ų065.6 Ų65.60%033%0.33CS..Hα-helixtrans-58.3-47.4175.8166.9-105.8000111.7E88 L91 I95 V110 W140 F141 N146 Q147 Y148 F150E88-F144 HydrophobicContact CB-CD2 3.93Å; E88-F144 HydrophobicContact CB-CE2 4.01Å; E88-F144 HydrophobicContact CG-CD2 3.77Å; E88-F144 HydrophobicContact CG-CE2 4.27Å; L91-F144 HydrophobicContact CB-CZ 4.29Å; L91-F144 HydrophobicContact CD2-CE1 4.01Å; L91-F144 HydrophobicContact CD2-CE2 4.2Å; L91-F144 HydrophobicContact CD2-CZ 3.8Å; L91-F144 HydrophobicContact CG-CE1 4.44Å; L91-F144 HydrophobicContact CG-CZ 3.96Å; I95-F144 HydrophobicContact CD1-CE1 3.57Å; I95-F144 HydrophobicContact CD1-CZ 3.78Å; V110-F144 HydrophobicContact CG1-CE1 4.38Å; W140-F144 HydrophobicContact CZ2-CB 4.25Å; W140-F144 HydrophobicContact CZ2-CG 4.27Å; W140-F144 PolarHBondContact O-N 3.23Å; F141-F144 HydrophobicContact CD2-CD1 4.21Å; F141-F144 HydrophobicContact CE2-CD1 4.32Å; F141-F144 PolarHBondContact O-N 2.88Å; F144-N146 VanDerWaalsContact C-N 3.33Å; F144-N146 PolarHBondContact O-N 2.96Å; F144-Q147 PolarHBondContact O-N 3.15Å; F144-Y148 AromaticContact CD2-CD2 3.5Å; F144-Y148 HydrophobicContact CD2-CD2 3.5Å; F144-Y148 VanDerWaalsContact CD2-CD2 3.5Å; F144-Y148 AromaticContact CD2-CE2 3.71Å; F144-Y148 HydrophobicContact CD2-CE2 3.71Å; F144-Y148 HydrophobicContact CD2-CG 4.44Å; F144-Y148 AromaticContact CE2-CD2 3.46Å; F144-Y148 HydrophobicContact CE2-CD2 3.46Å; F144-Y148 VanDerWaalsContact CE2-CD2 3.46Å; F144-Y148 AromaticContact CE2-CE2 3.69Å; F144-Y148 HydrophobicContact CE2-CE2 3.69Å; F144-Y148 HydrophobicContact CE2-CG 4.04Å; F144-Y148 HydrophobicContact CG-CD2 4.48Å; F144-Y148 HydrophobicContact CZ-CD2 4.41Å; F144-Y148 WeakPolarHBondContact O-CD2 3.29Å; F144-Y148 PolarHBondContact O-N 2.95Å; F144-F150 AromaticContact CE1-CD2 3.91Å; F144-F150 HydrophobicContact CE1-CD2 3.91Å; F144-F150 AromaticContact CE1-CE2 3.83Å; F144-F150 HydrophobicContact CE1-CE2 3.83Å; F144-F150 HydrophobicContact CE2-CE2 4.27Å; F144-F150 HydrophobicContact CZ-CD2 4.08Å; F144-F150 AromaticContact CZ-CE2 3.53Å; F144-F150 HydrophobicContact CZ-CE2 3.53Å
145K87.8Confident81.9Confident43 Ų4364.3 Ų64.319%0.18732%0.324CS..Hα-helixtrans-57.9-43.9175.9-76.6-165.1-62.8176.60112.8F141 C142 Q147 S149 F150 L155F141-K145 HydrophobicContact CD1-CD 4.28Å; F141-K145 HydrophobicContact CD1-CG 4.42Å; F141-K145 HydrophobicContact CE1-CD 3.51Å; F141-K145 VanDerWaalsContact CE1-CE 3.47Å; F141-K145 HydrophobicContact CE1-CG 3.93Å; F141-K145 HydrophobicContact CE2-CG 4.2Å; F141-K145 HydrophobicContact CZ-CD 3.65Å; F141-K145 HydrophobicContact CZ-CG 3.79Å; F141-K145 PolarHBondContact O-N 2.94Å; C142-K145 PolarHBondContact O-N 2.76Å; K145-Q147 VanDerWaalsContact C-N 3.33Å; K145-S149 WeakPolarHBondContact O-CA 3.33Å; K145-S149 PolarHBondContact O-N 3.24Å; K145-F150 HydrophobicContact CB-CB 4.49Å; K145-F150 HydrophobicContact CG-CB 4.34Å; K145-F150 PolarHBondContact O-N 2.91Å; K145-L155 HydrophobicContact CD-CD1 4.15Å; K145-L155 HydrophobicContact CG-CD1 4.14Å
146N85.7Confident80.4Confident95 Ų9562 Ų6251%0.50831%0.311SS..Hα-helixtrans-68.2-34.8179-68.9-13.4000111.9C142 R143 F144C142-N146 PolarHBondContact O-N 2.87Å; R143-N146 PolarHBondContact O-N 3.42Å; F144-N146 VanDerWaalsContact C-N 3.33Å; F144-N146 PolarHBondContact O-N 2.96Å
147Q86Confident78.5Confident140 Ų14063.5 Ų63.565%0.65433%0.327SS*.Hα-helixtrans-69.1-40.9180-177.164.532.600112.3R143 F144 K145R143-Q147 WeakPolarHBondContact O-CB 3.43Å; R143-Q147 PolarHBondContact O-N 3.28Å; F144-Q147 PolarHBondContact O-N 3.15Å; K145-Q147 VanDerWaalsContact C-N 3.33Å
148Y87.9Confident76.8Confident68 Ų6871.2 Ų71.227%0.26736%0.36SS..THydrogen-bonded Turntrans-99.811.5-178.6-70.4-96.3000112.8E88 K89 S92 F144 F150E88-Y148 HydrophobicContact CB-CE2 3.69Å; E88-Y148 WeakPolarHBondContact CB-OH 2.99Å; K89-Y148 WeakPolarHBondContact CA-OH 3.34Å; K89-Y148 PolarHBondContact N-OH 2.97Å; K89-Y148 VanDerWaalsContact N-OH 3.13Å; S92-Y148 WeakPolarHBondContact OG-CE1 3.36Å; F144-Y148 AromaticContact CD2-CD2 3.5Å; F144-Y148 HydrophobicContact CD2-CD2 3.5Å; F144-Y148 VanDerWaalsContact CD2-CD2 3.5Å; F144-Y148 AromaticContact CD2-CE2 3.71Å; F144-Y148 HydrophobicContact CD2-CE2 3.71Å; F144-Y148 HydrophobicContact CD2-CG 4.44Å; F144-Y148 AromaticContact CE2-CD2 3.46Å; F144-Y148 HydrophobicContact CE2-CD2 3.46Å; F144-Y148 VanDerWaalsContact CE2-CD2 3.46Å; F144-Y148 AromaticContact CE2-CE2 3.69Å; F144-Y148 HydrophobicContact CE2-CE2 3.69Å; F144-Y148 HydrophobicContact CE2-CG 4.04Å; F144-Y148 HydrophobicContact CG-CD2 4.48Å; F144-Y148 HydrophobicContact CZ-CD2 4.41Å; F144-Y148 WeakPolarHBondContact O-CD2 3.29Å; F144-Y148 PolarHBondContact O-N 2.95Å; Y148-F150 HydrophobicContact CG-CE2 4.03Å; Y148-F150 PolarHBondContact O-N 3.43Å; Y148-F150 VanDerWaalsContact O-N 3.15Å
149S82.4Confident75.1Confident80 Ų8075.3 Ų75.356%0.55939%0.393SS*.THydrogen-bonded Turntrans52.336177.3-58.30000114.4K145 H151K145-S149 WeakPolarHBondContact O-CA 3.33Å; K145-S149 PolarHBondContact O-N 3.24Å; S149-H151 PolarHBondContact O-N 3.38Å
150F77Confident73.4Confident21 Ų2175.5 Ų75.59%0.09240%0.395CS..THydrogen-bonded Turntrans-7650.5176-67.1-54.7000112.1I95 F144 K145 Y148 V153 L155I95-F150 HydrophobicContact CB-CZ 4.27Å; I95-F150 HydrophobicContact CD1-CD2 4.48Å; I95-F150 HydrophobicContact CD1-CE2 4.08Å; I95-F150 HydrophobicContact CD1-CZ 4.41Å; I95-F150 HydrophobicContact CG2-CD1 4.4Å; I95-F150 HydrophobicContact CG2-CE1 4.02Å; I95-F150 HydrophobicContact CG2-CZ 4.18Å; F144-F150 AromaticContact CE1-CD2 3.91Å; F144-F150 HydrophobicContact CE1-CD2 3.91Å; F144-F150 AromaticContact CE1-CE2 3.83Å; F144-F150 HydrophobicContact CE1-CE2 3.83Å; F144-F150 HydrophobicContact CE2-CE2 4.27Å; F144-F150 HydrophobicContact CZ-CD2 4.08Å; F144-F150 AromaticContact CZ-CE2 3.53Å; F144-F150 HydrophobicContact CZ-CE2 3.53Å; K145-F150 HydrophobicContact CB-CB 4.49Å; K145-F150 HydrophobicContact CG-CB 4.34Å; K145-F150 PolarHBondContact O-N 2.91Å; Y148-F150 HydrophobicContact CG-CE2 4.03Å; Y148-F150 PolarHBondContact O-N 3.43Å; Y148-F150 VanDerWaalsContact O-N 3.15Å; F150-V153 HydrophobicContact CB-CB 4.45Å; F150-V153 HydrophobicContact CB-CG2 4.44Å; F150-V153 HydrophobicContact CD1-CG2 3.75Å; F150-V153 HydrophobicContact CG-CG2 4.48Å; F150-L155 HydrophobicContact CB-CD1 4.29Å
151H67Low71.5Confident130 Ų13079.1 Ų79.160%0.60242%0.422SS*.THydrogen-bonded Turntrans-73.6-31.6176.3-60.8-61.1000111.7S149S149-H151 PolarHBondContact O-N 3.38Å
152N61.8Low69.6Low157 Ų15781.6 Ų81.684%0.8444%0.442SS*.SBendtrans-90.5-18.3-175.7-62-22.4000113.3R154N152-R154 PolarHBondContact O-N 2.86Å
153V64Low67.9Low34 Ų3483.6 Ų83.621%0.20645%0.45CS..SBendtrans-83.1111.7176.9-167.80000107.2I95 F150 L155I95-V153 HydrophobicContact CG2-CG1 4.25Å; F150-V153 HydrophobicContact CB-CB 4.45Å; F150-V153 HydrophobicContact CB-CG2 4.44Å; F150-V153 HydrophobicContact CD1-CG2 3.75Å; F150-V153 HydrophobicContact CG-CG2 4.48Å; V153-L155 HydrophobicContact CB-CD1 4.42Å; V153-L155 HydrophobicContact CB-CD2 4.33Å; V153-L155 HydrophobicContact CB-CG 4Å; V153-L155 HydrophobicContact CG1-CD1 4.36Å; V153-L155 HydrophobicContact CG1-CD2 3.44Å; V153-L155 VanDerWaalsContact CG1-CD2 3.44Å; V153-L155 HydrophobicContact CG1-CG 3.65Å; V153-L155 PolarHBondContact O-N 3.46Å
154R64.6Low66.6Low208 Ų20881.6 Ų81.679%0.78545%0.454SS*.  trans-70.466.5179.8-69.1-177.6179.2174.50111.2N152 C156N152-R154 PolarHBondContact O-N 2.86Å; R154-C156 PolarHBondContact O-N 3.09Å
155L64.7Low65.1Low2 Ų286.8 Ų86.81%0.0148%0.482CS..THydrogen-bonded Turntrans-76.8-4.3-176.9-60.4172.3000113.5I95 T105 T106 F107 V110 F141 K145 F150 V153I95-L155 HydrophobicContact CD1-CD1 4.38Å; T105-L155 HydrophobicContact CG2-CD2 3.63Å; T105-L155 WeakPolarHBondContact O-CD2 3.42Å; T106-L155 CarbonylContact C-O 3.45Å; F107-L155 WeakPolarHBondContact CA-O 3.39Å; F107-L155 WeakPolarHBondContact CB-O 3.34Å; F107-L155 PolarHBondContact N-O 3.29Å; V110-L155 HydrophobicContact CG2-CD1 4.49Å; V110-L155 HydrophobicContact CG2-CD2 3.91Å; F141-L155 HydrophobicContact CE1-CB 4.28Å; F141-L155 HydrophobicContact CE2-CD1 3.96Å; F141-L155 HydrophobicContact CZ-CB 3.55Å; F141-L155 HydrophobicContact CZ-CD1 3.59Å; F141-L155 HydrophobicContact CZ-CG 4.17Å; K145-L155 HydrophobicContact CD-CD1 4.15Å; K145-L155 HydrophobicContact CG-CD1 4.14Å; F150-L155 HydrophobicContact CB-CD1 4.29Å; V153-L155 HydrophobicContact CB-CD1 4.42Å; V153-L155 HydrophobicContact CB-CD2 4.33Å; V153-L155 HydrophobicContact CB-CG 4Å; V153-L155 HydrophobicContact CG1-CD1 4.36Å; V153-L155 HydrophobicContact CG1-CD2 3.44Å; V153-L155 VanDerWaalsContact CG1-CD2 3.44Å; V153-L155 HydrophobicContact CG1-CG 3.65Å; V153-L155 PolarHBondContact O-N 3.46Å
156C60.4Low63.8Low49 Ų4986.7 Ų86.733%0.33149%0.489SS..THydrogen-bonded Turntrans-124.317.5-168.4-172.30000114.1R154 C239R154-C156 PolarHBondContact O-N 3.09Å; C156-C239 WeakPolarHBondContact CA-SG 3.31Å; C156-C239 HydrophobicContact CB-CB 3.81Å; C156-C239 WeakPolarHBondContact CB-SG 3.46Å; C156-C239 PolarHBondContact O-SG 3.1Å; C156-C239 WeakPolarHBondContact SG-CB 3.46Å; C156-C239 PolarHBondContact SG-O 3.3Å; C156-C239 CovalentContact SG-SG 2.03Å; C156-C239 PolarHBondContact SG-SG 3.24Å
157G52.5Low62.6Low33 Ų3386 Ų8634%0.3449%0.488SS..  trans-119.3129.8-177.200000113.5A159 G160G157-A159 PolarHBondContact O-N 2.98Å; G157-G160 PolarHBondContact O-N 3.33Å; G157-G160 VanDerWaalsContact O-N 3.11Å
158E53.8Low61.6Low192 Ų19286 Ų8690%0.89749%0.488SS*.G310 helixtrans-51.4-33.4161.9-80.1171.2141.300111.6G160 S161E158-G160 PolarHBondContact O-N 3.48Å; E158-G160 VanDerWaalsContact O-N 3.09Å; E158-S161 PolarHBondContact O-N 2.98Å
159A51.1Low60.8Low88 Ų8885.3 Ų85.373%0.72749%0.491SS*.G310 helixtrans-66.9-9.2179.500000114.8G157G157-A159 PolarHBondContact O-N 2.98Å
160G51Low60.2Low32 Ų3287.7 Ų87.733%0.3349%0.491SS..G310 helixtrans-92-14.4-179.900000115G157 E158 A162G157-G160 PolarHBondContact O-N 3.33Å; G157-G160 VanDerWaalsContact O-N 3.11Å; E158-G160 PolarHBondContact O-N 3.48Å; E158-G160 VanDerWaalsContact O-N 3.09Å; G160-A162 VanDerWaalsContact C-N 3.33Å
161S50.4Low60.2Low84 Ų8490.3 Ų90.359%0.58751%0.511SS*.  trans-93.35.7177.9-1680000112.8E158 D163E158-S161 PolarHBondContact O-N 2.98Å; S161-D163 PolarHBondContact O-N 2.82Å
162A49.2Very low60.7Low53 Ų5388.7 Ų88.744%0.43851%0.505SS..SBendtrans-63.195.816100000105.6G160 V164 V167G160-A162 VanDerWaalsContact C-N 3.33Å; A162-V164 PolarHBondContact O-N 3.18Å; A162-V167 HydrophobicContact CB-CG2 3.68Å
163D51.9Low61.5Low96 Ų9686.7 Ų86.751%0.51349%0.491SS..  trans-50.9112.7171.6175.66.6000106S161 D165 A166 V167S161-D163 PolarHBondContact O-N 2.82Å; D163-D165 PolarHBondContact O-N 3.48Å; D163-D165 VanDerWaalsContact O-N 3.11Å; D163-D165 WeakPolarHBondContact OD1-CB 3.26Å; D163-D165 PolarHBondContact OD1-N 2.93Å; D163-D165 VanDerWaalsContact OD1-N 3.14Å; D163-A166 HydrophobicContact CB-CB 3.67Å; D163-A166 CarbonylContact O-C 3.49Å; D163-A166 PolarHBondContact O-N 3.15Å; D163-V167 VanDerWaalsContact O-CG2 3.32Å; D163-V167 WeakPolarHBondContact O-CG2 3.46Å; D163-V167 PolarHBondContact O-N 3.08Å
164V58.9Low62.2Low108 Ų10888 Ų8866%0.65550%0.499SS*.Hα-helixtrans-60.2-27.3-173.3-1730000109.4A162 Q168A162-V164 PolarHBondContact O-N 3.18Å; V164-Q168 PolarHBondContact O-N 3.3Å
165D59Low62.8Low110 Ų11083.5 Ų83.559%0.58849%0.487SS*.Hα-helixtrans-71.5-49.7174.1-142.541.8000110.9D163 V167 Q168 T169D163-D165 PolarHBondContact O-N 3.48Å; D163-D165 VanDerWaalsContact O-N 3.11Å; D163-D165 WeakPolarHBondContact OD1-CB 3.26Å; D163-D165 PolarHBondContact OD1-N 2.93Å; D163-D165 VanDerWaalsContact OD1-N 3.14Å; D165-V167 VanDerWaalsContact C-N 3.25Å; D165-V167 PolarHBondContact O-N 3.12Å; D165-Q168 PolarHBondContact O-N 2.88Å; D165-T169 PolarHBondContact O-N 2.98Å; D165-T169 PolarHBondContact O-OG1 3.31Å
166A60.2Low63.4Low41 Ų4187.5 Ų87.534%0.33951%0.508SS..Hα-helixtrans-60.7-32.8173.600000112.6D163 Q168 T169 F170D163-A166 HydrophobicContact CB-CB 3.67Å; D163-A166 CarbonylContact O-C 3.49Å; D163-A166 PolarHBondContact O-N 3.15Å; A166-Q168 VanDerWaalsContact C-N 3.26Å; A166-Q168 PolarHBondContact O-N 2.79Å; A166-T169 WeakPolarHBondContact CA-OG1 3.23Å; A166-T169 PolarHBondContact O-N 2.73Å; A166-T169 PolarHBondContact O-OG1 2.53Å; A166-F170 WeakPolarHBondContact O-CA 3.48Å; A166-F170 WeakPolarHBondContact O-CB 3.23Å; A166-F170 PolarHBondContact O-N 3.08Å
167V60.8Low64Low81 Ų8189.8 Ų89.849%0.49152%0.516SS..Hα-helixtrans-65.2-31.8175.21730000111.3A162 D163 D165 P171A162-V167 HydrophobicContact CB-CG2 3.68Å; D163-V167 VanDerWaalsContact O-CG2 3.32Å; D163-V167 WeakPolarHBondContact O-CG2 3.46Å; D163-V167 PolarHBondContact O-N 3.08Å; D165-V167 VanDerWaalsContact C-N 3.25Å; D165-V167 PolarHBondContact O-N 3.12Å; V167-P171 WeakPolarHBondContact O-CD 3.29Å; V167-P171 WeakPolarHBondContact O-CG 3.37Å
168Q64.6Low65.2Low139 Ų13992.2 Ų92.265%0.6553%0.525SS*.Hα-helixtrans-80.6-35.2175.8-71.6-166.4-67.700112.7V164 D165 A166V164-Q168 PolarHBondContact O-N 3.3Å; D165-Q168 PolarHBondContact O-N 2.88Å; A166-Q168 VanDerWaalsContact C-N 3.26Å; A166-Q168 PolarHBondContact O-N 2.79Å
169T70.6Confident65.9Low53 Ų5390.5 Ų90.533%0.32551%0.514SS..Hα-helixtrans-82-32.4179.361.40000113.2D165 A166 I172 E173D165-T169 PolarHBondContact O-N 2.98Å; D165-T169 PolarHBondContact O-OG1 3.31Å; A166-T169 WeakPolarHBondContact CA-OG1 3.23Å; A166-T169 PolarHBondContact O-N 2.73Å; A166-T169 PolarHBondContact O-OG1 2.53Å; T169-I172 CarbonylContact O-C 3.5Å; T169-I172 WeakPolarHBondContact O-CA 3.45Å; T169-I172 WeakPolarHBondContact O-CB 3.48Å; T169-I172 PolarHBondContact O-N 3.17Å; T169-E173 PolarHBondContact O-N 3.44Å; T169-E173 PolarHBondContact OG1-OE1 3.36Å
170F71.4Confident66.7Low130 Ų13093.1 Ų93.157%0.5751%0.512SS*.Hα-helixtrans-58.3-42.8-175-175.7-97.7000114A166 I172 E173 V174A166-F170 WeakPolarHBondContact O-CA 3.48Å; A166-F170 WeakPolarHBondContact O-CB 3.23Å; A166-F170 PolarHBondContact O-N 3.08Å; F170-I172 VanDerWaalsContact C-N 3.25Å; F170-I172 PolarHBondContact O-N 2.88Å; F170-E173 PolarHBondContact O-N 3.26Å; F170-V174 HydrophobicContact CD1-CG2 3.96Å; F170-V174 HydrophobicContact CD2-CG2 4.24Å; F170-V174 HydrophobicContact CE1-CG2 3.62Å; F170-V174 HydrophobicContact CE2-CG2 3.93Å; F170-V174 HydrophobicContact CG-CG2 4.26Å; F170-V174 HydrophobicContact CZ-CG2 3.61Å; F170-V174 WeakPolarHBondContact O-CB 3.48Å; F170-V174 VanDerWaalsContact O-CG2 3.24Å; F170-V174 WeakPolarHBondContact O-CG2 3.35Å; F170-V174 PolarHBondContact O-N 2.98Å
171P76.7Confident67.2Low77 Ų7798.6 Ų98.650%0.553%0.526SS..Hα-helixtrans-60.4-36173.6-23.233.6000112.8V167 Q175V167-P171 WeakPolarHBondContact O-CD 3.29Å; V167-P171 WeakPolarHBondContact O-CG 3.37Å; P171-Q175 WeakPolarHBondContact O-CB 3.16Å; P171-Q175 PolarHBondContact O-N 3.27Å
172I77.1Confident67.3Low95 Ų9599.5 Ų99.549%0.48753%0.528SS..Hα-helixtrans-72.2-45.2179.7-55171.8000109.7T169 F170 Q175 N176T169-I172 CarbonylContact O-C 3.5Å; T169-I172 WeakPolarHBondContact O-CA 3.45Å; T169-I172 WeakPolarHBondContact O-CB 3.48Å; T169-I172 PolarHBondContact O-N 3.17Å; F170-I172 VanDerWaalsContact C-N 3.25Å; F170-I172 PolarHBondContact O-N 2.88Å; I172-Q175 PolarHBondContact O-N 3.45Å; I172-N176 WeakPolarHBondContact O-CB 3.46Å; I172-N176 PolarHBondContact O-N 3.4Å; I172-N176 PolarHBondContact O-ND2 3.23Å
173E77.8Confident67.5Low115 Ų115101.8 Ų101.854%0.53754%0.536SS..Hα-helixtrans-62.2-45.5176.4-71.6173.8-160.700111.8T169 F170 N176 L177T169-E173 PolarHBondContact O-N 3.44Å; T169-E173 PolarHBondContact OG1-OE1 3.36Å; F170-E173 PolarHBondContact O-N 3.26Å; E173-N176 PolarHBondContact O-N 2.77Å; E173-L177 WeakPolarHBondContact O-CB 3.29Å; E173-L177 PolarHBondContact O-N 2.89Å
174V78.8Confident67.6Low62 Ų62103 Ų10338%0.37655%0.548SS..Hα-helixtrans-64.5-42.3175.6173.50000110.8F170 N176 L177 V178F170-V174 HydrophobicContact CD1-CG2 3.96Å; F170-V174 HydrophobicContact CD2-CG2 4.24Å; F170-V174 HydrophobicContact CE1-CG2 3.62Å; F170-V174 HydrophobicContact CE2-CG2 3.93Å; F170-V174 HydrophobicContact CG-CG2 4.26Å; F170-V174 HydrophobicContact CZ-CG2 3.61Å; F170-V174 WeakPolarHBondContact O-CB 3.48Å; F170-V174 VanDerWaalsContact O-CG2 3.24Å; F170-V174 WeakPolarHBondContact O-CG2 3.35Å; F170-V174 PolarHBondContact O-N 2.98Å; V174-N176 VanDerWaalsContact C-N 3.3Å; V174-N176 PolarHBondContact O-N 3.47Å; V174-L177 PolarHBondContact O-N 2.92Å; V174-V178 HydrophobicContact CG1-CG2 4.2Å; V174-V178 WeakPolarHBondContact O-CB 3.48Å; V174-V178 WeakPolarHBondContact O-CG2 3.38Å; V174-V178 PolarHBondContact O-N 3.37Å
175Q78.3Confident67.5Low114 Ų114105.5 Ų105.553%0.53355%0.552SS.*Hα-helixtrans-62.1-39.2176.3-178.1175.174.700111.8P171 I172 K179P171-Q175 WeakPolarHBondContact O-CB 3.16Å; P171-Q175 PolarHBondContact O-N 3.27Å; I172-Q175 PolarHBondContact O-N 3.45Å; Q175-K179 WeakPolarHBondContact O-CB 2.99Å; Q175-K179 WeakPolarHBondContact O-CG 3.26Å; Q175-K179 PolarHBondContact O-N 3.17Å
176N77.7Confident67.4Low86 Ų86108.3 Ų108.346%0.4656%0.562SS.*Hα-helixtrans-67.8-43.2175.7-70.2-18.5000111.4I172 E173 V174 V178 K179 E180I172-N176 WeakPolarHBondContact O-CB 3.46Å; I172-N176 PolarHBondContact O-N 3.4Å; I172-N176 PolarHBondContact O-ND2 3.23Å; E173-N176 PolarHBondContact O-N 2.77Å; V174-N176 VanDerWaalsContact C-N 3.3Å; V174-N176 PolarHBondContact O-N 3.47Å; N176-V178 VanDerWaalsContact C-N 3.35Å; N176-V178 PolarHBondContact O-N 3.47Å; N176-K179 PolarHBondContact O-N 2.95Å; N176-E180 WeakPolarHBondContact O-CB 3.45Å; N176-E180 PolarHBondContact O-N 3.49Å
177L73Confident67Low96 Ų96114 Ų11450%0.50359%0.586SS.*Hα-helixtrans-64.8-39.1178.1-15090.8000112.2E173 V174 E180 K181E173-L177 WeakPolarHBondContact O-CB 3.29Å; E173-L177 PolarHBondContact O-N 2.89Å; V174-L177 PolarHBondContact O-N 2.92Å; L177-E180 PolarHBondContact O-N 3.4Å; L177-K181 HydrophobicContact CG-CD 4.34Å; L177-K181 WeakPolarHBondContact O-CB 3.43Å; L177-K181 PolarHBondContact O-N 3.32Å
178V75.9Confident66.6Low84 Ų84118.2 Ų118.251%0.50960%0.6SS.*Hα-helixtrans-66.4-38.6174.9171.80000110.7V174 N176 V182V174-V178 HydrophobicContact CG1-CG2 4.2Å; V174-V178 WeakPolarHBondContact O-CB 3.48Å; V174-V178 WeakPolarHBondContact O-CG2 3.38Å; V174-V178 PolarHBondContact O-N 3.37Å; N176-V178 VanDerWaalsContact C-N 3.35Å; N176-V178 PolarHBondContact O-N 3.47Å; V178-V182 HydrophobicContact CG1-CG2 4.12Å; V178-V182 WeakPolarHBondContact O-CB 3.48Å; V178-V182 VanDerWaalsContact O-CG2 3.25Å; V178-V182 WeakPolarHBondContact O-CG2 3.18Å; V178-V182 PolarHBondContact O-N 3.47Å
179K69.9Low66Low157 Ų157120.6 Ų120.668%0.68361%0.608SS**Hα-helixtrans-67.3-37.4173.5-82.2178.9177.61760113Q175 N176Q175-K179 WeakPolarHBondContact O-CB 2.99Å; Q175-K179 WeakPolarHBondContact O-CG 3.26Å; Q175-K179 PolarHBondContact O-N 3.17Å; N176-K179 PolarHBondContact O-N 2.95Å
180E66.8Low64.7Low143 Ų143125.4 Ų125.467%0.66863%0.631SS**Hα-helixtrans-80.4-34.7-175.1-164.4-178.1177.900112.5N176 L177N176-E180 WeakPolarHBondContact O-CB 3.45Å; N176-E180 PolarHBondContact O-N 3.49Å; L177-E180 PolarHBondContact O-N 3.4Å
181K61.3Low63.3Low147 Ų147123.9 Ų123.964%0.63964%0.637SS**Hα-helixtrans-108.3-7.2-170.4-57.9-163.1179.4-169.10116L177 T183L177-K181 HydrophobicContact CG-CD 4.34Å; L177-K181 WeakPolarHBondContact O-CB 3.43Å; L177-K181 PolarHBondContact O-N 3.32Å; K181-T183 PolarHBondContact O-N 3.04Å
182V53.2Low61.8Low102 Ų102126.5 Ų126.562%0.61865%0.651SS**  trans-83.959.4166.7-171.40000108.4V178V178-V182 HydrophobicContact CG1-CG2 4.12Å; V178-V182 WeakPolarHBondContact O-CB 3.48Å; V178-V182 VanDerWaalsContact O-CG2 3.25Å; V178-V182 WeakPolarHBondContact O-CG2 3.18Å; V178-V182 PolarHBondContact O-N 3.47Å
183T53.2Low60.1Low101 Ų101127.1 Ų127.162%0.6267%0.67SS**  trans-91.1123.4156.9-34.50000106.1K181 E185K181-T183 PolarHBondContact O-N 3.04Å; T183-E185 PolarHBondContact O-N 2.61Å
184T54.8Low58Low122 Ų122124.7 Ų124.775%0.74868%0.676SS**THydrogen-bonded Turntrans-71.125.5-156.738.50000116.3
185E57.1Low56.1Low160 Ų160130.9 Ų130.975%0.74870%0.701SS**THydrogen-bonded Turntrans-112.3-12.4-166.8-62.8-172.7-177.500115.2T183T183-E185 PolarHBondContact O-N 2.61Å
186E56.2Low54.2Low169 Ų169130.1 Ų130.179%0.7971%0.714SS**SBendtrans-97.6-16.8-177.8-69.7-171152.200115.1
187L51.1Low52.7Low162 Ų162135.7 Ų135.785%0.84874%0.737SS**SBendtrans-78-19.2179.6-83.3170.9000114.2
188E52.7Low51Low169 Ų169134.4 Ų134.479%0.7975%0.746SS**SBendtrans-82.7-17.1175.7-100.5-175.2165.300113.7L190E188-L190 PolarHBondContact O-N 2.96Å
189K51.7Low49.3Very low188 Ų188140.7 Ų140.782%0.81776%0.761SS**G310 helixtrans-82.7-13.1-174.3-155.9168.7-173.9178.20114.6
190L44.7Very low48.1Very low154 Ų154142.6 Ų142.681%0.80677%0.77SS**G310 helixtrans-88.3-0.9-176.6-72.8175.8000115E188E188-L190 PolarHBondContact O-N 2.96Å
191S41.7Very low46.7Very low99 Ų99142.3 Ų142.369%0.69277%0.772SS**G310 helixtrans-98.63.5-176.263.10000116.4
192V44.1Very low46Very low132 Ų132142.1 Ų142.180%0.878%0.778SS**  trans-11715.8-174.1-167.60000114.6G194V192-G194 PolarHBondContact O-N 3.05Å
193A41.8Very low45.6Very low108 Ų108144.8 Ų144.889%0.89378%0.784SS**  trans-103.361.9174.600000111.2
194G34.5Very low45.4Very low63 Ų63147.7 Ų147.765%0.64980%0.796SS**  trans-141.758.817800000110.8V192V192-G194 PolarHBondContact O-N 3.05Å
195E37.7Very low45.3Very low193 Ų193150.3 Ų150.390%0.90280%0.8SS**  trans-162.1131.8166.9-110160.5-144.600111.8
196A39.4Very low44.7Very low97 Ų97151.5 Ų151.580%0.80281%0.805SS**  trans68102.1155.900000119.3
197E45.6Very low44.8Very low204 Ų204148.9 Ų148.995%0.95380%0.801SS**  -171110.4121-103-178.6-178.200106.2
198G38.2Very low45.1Very low68 Ų68146 Ų14670%0.70179%0.791SS**  129.775.876.700000106.3K200G198-K200 VanDerWaalsContact C-N 3.31Å; G198-K200 PolarHBondContact O-N 2.99Å
199R39Very low45.4Very low217 Ų217143.3 Ų143.382%0.81979%0.789SS**  trans-61.795.7166.7176.6176.4-68.8-176.1-2107D201R199-D201 WeakPolarHBondContact CD-OD1 3.21Å; R199-D201 WeakPolarHBondContact CD-OD2 3.31Å; R199-D201 WeakPolarHBondContact CG-OD1 3.43Å; R199-D201 WeakPolarHBondContact CG-OD2 3.39Å
200K46Very low45.7Very low197 Ų197140 Ų14086%0.85779%0.787SS**  trans-95.595.5158.4-78.1-173.1176.7177.80106.1G198 D202G198-K200 VanDerWaalsContact C-N 3.31Å; G198-K200 PolarHBondContact O-N 2.99Å; K200-D202 VanDerWaalsContact C-N 3.31Å; K200-D202 PolarHBondContact O-N 2.86Å
201D37.8Very low46.6Very low136 Ų136137.8 Ų137.873%0.72778%0.784SS**  trans-61.796.4162.3-59.3-48.6000106.5R199R199-D201 WeakPolarHBondContact CD-OD1 3.21Å; R199-D201 WeakPolarHBondContact CD-OD2 3.31Å; R199-D201 WeakPolarHBondContact CG-OD1 3.43Å; R199-D201 WeakPolarHBondContact CG-OD2 3.39Å
202D45Very low47.6Very low143 Ų143137.8 Ų137.877%0.76578%0.782SS**  trans-123.999.4166.9-159.410.6000109.2K200K200-D202 VanDerWaalsContact C-N 3.31Å; K200-D202 PolarHBondContact O-N 2.86Å
203E45.8Very low48.8Very low158 Ų158143.9 Ų143.974%0.73879%0.79SS**  trans10.8119.4157-55.3-166.4160.800119.5Q205E203-Q205 PolarHBondContact O-N 2.74Å
204N48.6Very low50.4Low163 Ų163146.3 Ų146.387%0.87278%0.783SS**  trans52.337.4131.2-65-24.1000119.1E206N204-E206 VanDerWaalsContact C-N 3.34Å; N204-E206 PolarHBondContact O-N 3.34Å
205Q51.9Low52.8Low176 Ų176146.3 Ų146.382%0.82277%0.767SS**  trans-81.892.2149.5-78.8-178.47.400108.4E203 V207E203-Q205 PolarHBondContact O-N 2.74Å; Q205-V207 PolarHBondContact O-N 3.09Å
206E45.6Very low55.3Low186 Ų186140.5 Ų140.587%0.86975%0.745SS**  trans-59.684.5162.2-172177.8-176.300107.5N204 P208N204-E206 VanDerWaalsContact C-N 3.34Å; N204-E206 PolarHBondContact O-N 3.34Å; E206-P208 WeakPolarHBondContact O-CD 3.46Å; E206-P208 VanDerWaalsContact O-N 3.12Å
207V57.3Low57.8Low114 Ų114138.9 Ų138.969%0.69173%0.725SS**  trans-64.8112.6172.5-179.90000105.2Q205Q205-V207 PolarHBondContact O-N 3.09Å
208P57.1Low60Low100 Ų100132.1 Ų132.165%0.64970%0.704SS**PPolyproline II helixtrans-55.6139.6179.722.1-32.2000108.5E206E206-P208 WeakPolarHBondContact O-CD 3.46Å; E206-P208 VanDerWaalsContact O-N 3.12Å
209P60.7Low62.7Low114 Ų114133.5 Ų133.574%0.7469%0.692SS**PPolyproline II helixtrans-52.4132.9-171.419.5-31.7000109.3S211P209-S211 PolarHBondContact O-N 2.88Å
210P58.2Low65.3Low119 Ų119123.3 Ų123.377%0.77365%0.654SS**PPolyproline II helixtrans-53.8123.3-178.120.4-31.2000108.1
211S61.9Low67.7Low107 Ų107116.4 Ų116.475%0.74863%0.63SS**PPolyproline II helixtrans-47.6129.3174.5-800000108P209 R213P209-S211 PolarHBondContact O-N 2.88Å; S211-R213 PolarHBondContact O-N 3.11Å; S211-R213 VanDerWaalsContact O-N 3.17Å
212P64.3Low70.5Confident99 Ų99114.4 Ų114.464%0.64362%0.619SS**PPolyproline II helixtrans-48.9130.3-178.3-26.532.8000108.6Q214P212-Q214 HydrophobicContact CB-CG 4.24Å; P212-Q214 PolarHBondContact O-N 2.88Å
213R68.1Low73Confident259 Ų259110.6 Ų110.698%0.97760%0.602SS**  trans-63.876.8-179.9-65.1-179.1-178.1-176.40.4109.2S211 M215S211-R213 PolarHBondContact O-N 3.11Å; S211-R213 VanDerWaalsContact O-N 3.17Å; R213-M215 PolarHBondContact O-N 2.7Å
214Q76.6Confident75.4Confident159 Ų159104.3 Ų104.374%0.74357%0.573SS**  trans-85.9106.5-179.6-71.7-171.6-15.300107.2P212 T216P212-Q214 HydrophobicContact CB-CG 4.24Å; P212-Q214 PolarHBondContact O-N 2.88Å; Q214-T216 PolarHBondContact O-N 3.5Å
215M83.2Confident77.8Confident63 Ų63102.6 Ų102.631%0.3156%0.558SS.*  trans-58.6121.6170.5-175.5171.656.300109.2R213 E219 L220 R265R213-M215 PolarHBondContact O-N 2.7Å; M215-E219 WeakPolarHBondContact CA-OE2 3.46Å; M215-E219 HydrophobicContact CG-CB 3.59Å; M215-E219 HydrophobicContact SD-CB 4.38Å; M215-L220 HydrophobicContact CE-CB 3.87Å; M215-L220 HydrophobicContact CE-CD1 3.44Å; M215-L220 VanDerWaalsContact CE-CD1 3.44Å; M215-L220 HydrophobicContact CE-CG 4.18Å; M215-L220 HydrophobicContact CG-CB 4.42Å; M215-L220 HydrophobicContact SD-CB 4.3Å; M215-R265 PolarHBondContact O-NH1 3.48Å; M215-R265 PolarHBondContact O-NH2 2.94Å
216T91.3Very high80Confident72 Ų7297.7 Ų97.744%0.44254%0.54SS..  trans-63.8165.8177.666.80000111Q214 A218 E219 L220 R265Q214-T216 PolarHBondContact O-N 3.5Å; T216-A218 VanDerWaalsContact C-N 3.32Å; T216-A218 PolarHBondContact O-N 2.95Å; T216-E219 WeakPolarHBondContact CB-OE2 3.29Å; T216-E219 WeakPolarHBondContact CG2-OE2 3.5Å; T216-E219 PolarHBondContact N-OE2 3.01Å; T216-E219 WeakPolarHBondContact OG1-CB 3.27Å; T216-E219 WeakPolarHBondContact OG1-CG 3.35Å; T216-E219 PolarHBondContact OG1-N 3.35Å; T216-E219 PolarHBondContact OG1-OE2 3.21Å; T216-L220 WeakPolarHBondContact O-CB 3.32Å; T216-L220 PolarHBondContact O-N 3.47Å; T216-L220 VanDerWaalsContact O-N 3.09Å; T216-R265 PolarHBondContact O-NH1 3Å
217T91.4Very high82.5Confident63 Ų6391.3 Ų91.339%0.38751%0.511SS..Hα-helixtrans-65.6-35.7178.1-51.60000112.3S221 R265T217-S221 WeakPolarHBondContact O-CB 3.46Å; T217-S221 PolarHBondContact O-N 3.02Å; T217-R265 HydrophobicContact CG2-CB 3.9Å
218A92.7Very high84.4Confident61 Ų6189 Ų8950%0.50449%0.493SS..Hα-helixtrans-66.8-48.2177.800000111T216 L220 S221 D222T216-A218 VanDerWaalsContact C-N 3.32Å; T216-A218 PolarHBondContact O-N 2.95Å; A218-L220 VanDerWaalsContact C-N 3.31Å; A218-L220 PolarHBondContact O-N 3.3Å; A218-S221 WeakPolarHBondContact O-CB 3.46Å; A218-S221 PolarHBondContact O-N 3.28Å; A218-S221 VanDerWaalsContact O-N 3.11Å; A218-D222 PolarHBondContact O-N 3.06Å
219E94.1Very high86.3Confident98 Ų9889.6 Ų89.646%0.45849%0.487SS..Hα-helixtrans-59-41.2176.1-70.6164155.200112.1M215 T216 D222 T223M215-E219 WeakPolarHBondContact CA-OE2 3.46Å; M215-E219 HydrophobicContact CG-CB 3.59Å; M215-E219 HydrophobicContact SD-CB 4.38Å; T216-E219 WeakPolarHBondContact CB-OE2 3.29Å; T216-E219 WeakPolarHBondContact CG2-OE2 3.5Å; T216-E219 PolarHBondContact N-OE2 3.01Å; T216-E219 WeakPolarHBondContact OG1-CB 3.27Å; T216-E219 WeakPolarHBondContact OG1-CG 3.35Å; T216-E219 PolarHBondContact OG1-N 3.35Å; T216-E219 PolarHBondContact OG1-OE2 3.21Å; E219-D222 PolarHBondContact O-N 3.33Å; E219-T223 WeakPolarHBondContact O-CB 3.35Å; E219-T223 PolarHBondContact O-N 3.48Å; E219-T223 PolarHBondContact O-OG1 3.17Å
220L93.9Very high88.1Confident2 Ų292.3 Ų92.31%0.0148%0.482CS..Hα-helixtrans-61.2-45.3175.417660.7000111.5M215 T216 A218 L224 Y258 L261 L262M215-L220 HydrophobicContact CE-CB 3.87Å; M215-L220 HydrophobicContact CE-CD1 3.44Å; M215-L220 VanDerWaalsContact CE-CD1 3.44Å; M215-L220 HydrophobicContact CE-CG 4.18Å; M215-L220 HydrophobicContact CG-CB 4.42Å; M215-L220 HydrophobicContact SD-CB 4.3Å; T216-L220 WeakPolarHBondContact O-CB 3.32Å; T216-L220 PolarHBondContact O-N 3.47Å; T216-L220 VanDerWaalsContact O-N 3.09Å; A218-L220 VanDerWaalsContact C-N 3.31Å; A218-L220 PolarHBondContact O-N 3.3Å; L220-L224 HydrophobicContact CD1-CD1 4.01Å; L220-L224 HydrophobicContact CD1-CG 4.24Å; L220-L224 HydrophobicContact CG-CD1 4.2Å; L220-L224 WeakPolarHBondContact O-CB 3.41Å; L220-L224 VanDerWaalsContact O-CG 3.31Å; L220-L224 WeakPolarHBondContact O-CG 3.39Å; L220-L224 PolarHBondContact O-N 3.43Å; L220-Y258 HydrophobicContact CD1-CD1 3.82Å; L220-Y258 HydrophobicContact CD1-CG 4.37Å; L220-L261 HydrophobicContact CD2-CB 4.25Å; L220-L261 HydrophobicContact CD2-CD2 3.93Å; L220-L261 HydrophobicContact CD2-CG 3.89Å; L220-L262 HydrophobicContact CD2-CB 3.84Å; L220-L262 HydrophobicContact CG-CB 4.3Å; L220-L262 HydrophobicContact CG-CD1 4.27Å
221S96.2Very high89.9Confident52 Ų5287 Ų8736%0.36445%0.448SS..Hα-helixtrans-61.5-49.4177.9178.70000111.9T217 A218 T223 L224 K225 L262T217-S221 WeakPolarHBondContact O-CB 3.46Å; T217-S221 PolarHBondContact O-N 3.02Å; A218-S221 WeakPolarHBondContact O-CB 3.46Å; A218-S221 PolarHBondContact O-N 3.28Å; A218-S221 VanDerWaalsContact O-N 3.11Å; S221-T223 PolarHBondContact O-N 3.38Å; S221-L224 PolarHBondContact O-N 3.24Å; S221-K225 WeakPolarHBondContact O-CB 3.3Å; S221-K225 PolarHBondContact O-N 3.28Å; S221-L262 VanDerWaalsContact CA-CD1 3.44Å
222D97.3Very high91.5Very high94 Ų9485.9 Ų85.950%0.50343%0.43SS..Hα-helixtrans-67.3-38.2-177.7-70.5-14.8000111.6A218 E219 K225 T226A218-D222 PolarHBondContact O-N 3.06Å; E219-D222 PolarHBondContact O-N 3.33Å; D222-K225 PolarHBondContact O-N 2.85Å; D222-T226 WeakPolarHBondContact O-CB 3.48Å; D222-T226 PolarHBondContact O-N 3.09Å; D222-T226 PolarHBondContact O-OG1 3.41Å
223T96.7Very high92.9Very high64 Ų6488 Ų8839%0.39343%0.426SS..Hα-helixtrans-61.9-49.4174-59.60000110.9E219 S221 K225 T226 I227E219-T223 WeakPolarHBondContact O-CB 3.35Å; E219-T223 PolarHBondContact O-N 3.48Å; E219-T223 PolarHBondContact O-OG1 3.17Å; S221-T223 PolarHBondContact O-N 3.38Å; T223-K225 VanDerWaalsContact C-N 3.34Å; T223-K225 PolarHBondContact O-N 3.47Å; T223-T226 PolarHBondContact O-N 3.17Å; T223-I227 HydrophobicContact CG2-CD1 3.84Å; T223-I227 HydrophobicContact CG2-CG1 4.48Å; T223-I227 VanDerWaalsContact O-CG1 3.29Å; T223-I227 WeakPolarHBondContact O-CG1 3.4Å; T223-I227 PolarHBondContact O-N 3.02Å
224L96.9Very high94.1Very high25 Ų2578.3 Ų78.313%0.13139%0.393CS..Hα-helixtrans-61.2-41.8178.1-74.9172.5000112.1L220 S221 I227 E228 L255 K259 L262L220-L224 HydrophobicContact CD1-CD1 4.01Å; L220-L224 HydrophobicContact CD1-CG 4.24Å; L220-L224 HydrophobicContact CG-CD1 4.2Å; L220-L224 WeakPolarHBondContact O-CB 3.41Å; L220-L224 VanDerWaalsContact O-CG 3.31Å; L220-L224 WeakPolarHBondContact O-CG 3.39Å; L220-L224 PolarHBondContact O-N 3.43Å; S221-L224 PolarHBondContact O-N 3.24Å; L224-I227 PolarHBondContact O-N 2.88Å; L224-E228 PolarHBondContact O-N 3.33Å; L224-L255 HydrophobicContact CD2-CB 4.32Å; L224-L255 HydrophobicContact CD2-CD2 4.21Å; L224-K259 HydrophobicContact CD1-CG 4.4Å; L224-L262 HydrophobicContact CD1-CB 4.36Å; L224-L262 HydrophobicContact CD1-CD1 4.02Å
225K97.7Very high94.8Very high128 Ų12872.9 Ų72.956%0.55737%0.368SS*.Hα-helixtrans-62-45.8175.4-177.2-177.8177.2-174.20111.6S221 D222 T223 E228 Q229S221-K225 WeakPolarHBondContact O-CB 3.3Å; S221-K225 PolarHBondContact O-N 3.28Å; D222-K225 PolarHBondContact O-N 2.85Å; T223-K225 VanDerWaalsContact C-N 3.34Å; T223-K225 PolarHBondContact O-N 3.47Å; K225-E228 PolarHBondContact O-N 3.29Å; K225-Q229 WeakPolarHBondContact O-CG 3.43Å; K225-Q229 PolarHBondContact O-N 3.32Å
226T98.2Very high95.1Very high73 Ų7372.8 Ų72.845%0.44837%0.369SS..Hα-helixtrans-62-45.1178.9-590000110.9D222 T223 E228 Q229 R230D222-T226 WeakPolarHBondContact O-CB 3.48Å; D222-T226 PolarHBondContact O-N 3.09Å; D222-T226 PolarHBondContact O-OG1 3.41Å; T223-T226 PolarHBondContact O-N 3.17Å; T226-E228 PolarHBondContact O-N 2.96Å; T226-Q229 PolarHBondContact O-N 3.43Å; T226-R230 WeakPolarHBondContact O-CG 3.48Å; T226-R230 PolarHBondContact O-N 3.44Å
227I97.8Very high94.9Very high51 Ų5170.4 Ų70.426%0.26235%0.353SS..Hα-helixtrans-61.8-45.6177.4-64.2164.6000110.4T223 L224 Q229 R230 L231 I251 L255T223-I227 HydrophobicContact CG2-CD1 3.84Å; T223-I227 HydrophobicContact CG2-CG1 4.48Å; T223-I227 VanDerWaalsContact O-CG1 3.29Å; T223-I227 WeakPolarHBondContact O-CG1 3.4Å; T223-I227 PolarHBondContact O-N 3.02Å; L224-I227 PolarHBondContact O-N 2.88Å; I227-Q229 VanDerWaalsContact C-N 3.32Å; I227-Q229 PolarHBondContact O-N 3.19Å; I227-R230 PolarHBondContact O-N 2.94Å; I227-R230 VanDerWaalsContact O-N 3.09Å; I227-L231 HydrophobicContact CG2-CD1 4.12Å; I227-L231 HydrophobicContact CG2-CG 4.15Å; I227-L231 WeakPolarHBondContact O-CG 3.36Å; I227-L231 PolarHBondContact O-N 3.06Å; I227-I251 HydrophobicContact CG2-CG2 4.42Å; I227-L255 HydrophobicContact CB-CD1 4.31Å; I227-L255 HydrophobicContact CD1-CD2 4.04Å; I227-L255 HydrophobicContact CG2-CD1 3.56Å
228E97.4Very high94.7Very high65 Ų6568 Ų6830%0.30434%0.338SS..Hα-helixtrans-60.8-41.3178.3-171.359.7-136.300112L224 K225 T226 R230 L231 Q232 R252L224-E228 PolarHBondContact O-N 3.33Å; K225-E228 PolarHBondContact O-N 3.29Å; T226-E228 PolarHBondContact O-N 2.96Å; E228-R230 VanDerWaalsContact C-N 3.33Å; E228-R230 PolarHBondContact O-N 3.16Å; E228-L231 PolarHBondContact O-N 3.04Å; E228-Q232 WeakPolarHBondContact O-CB 3.45Å; E228-Q232 PolarHBondContact O-N 3.22Å; E228-R252 IonicContact OE1-CZ 3.3Å; E228-R252 VanDerWaalsContact OE1-CZ 3.24Å; E228-R252 IonicContact OE1-NE 3.73Å; E228-R252 PolarHBondContact OE1-NE 3.39Å; E228-R252 IonicContact OE1-NH2 3.91Å; E228-R252 PolarHBondContact OE1-NH2 3.09Å; E228-R252 IonicContact OE2-NE 3.06Å; E228-R252 PolarHBondContact OE2-NE 3.37Å
229Q97.9Very high94.2Very high113 Ų11366 Ų6653%0.52832%0.32SS..Hα-helixtrans-60.8-40.9174-72.3174.5-1900112.3K225 T226 I227 W233K225-Q229 WeakPolarHBondContact O-CG 3.43Å; K225-Q229 PolarHBondContact O-N 3.32Å; T226-Q229 PolarHBondContact O-N 3.43Å; I227-Q229 VanDerWaalsContact C-N 3.32Å; I227-Q229 PolarHBondContact O-N 3.19Å; Q229-W233 WeakPolarHBondContact O-CB 3.33Å; Q229-W233 PolarHBondContact O-N 3.09Å
230R97.7Very high93.7Very high171 Ų17164.6 Ų64.665%0.64532%0.315SS*.Hα-helixtrans-68.3-38176.6-68.3-57.1-163176.75.2112.5T226 I227 E228 W233 L234T226-R230 WeakPolarHBondContact O-CG 3.48Å; T226-R230 PolarHBondContact O-N 3.44Å; I227-R230 PolarHBondContact O-N 2.94Å; I227-R230 VanDerWaalsContact O-N 3.09Å; E228-R230 VanDerWaalsContact C-N 3.33Å; E228-R230 PolarHBondContact O-N 3.16Å; R230-W233 PolarHBondContact O-N 3.36Å; R230-L234 PolarHBondContact O-N 3.36Å
231L97.1Very high93.3Very high9 Ų967.1 Ų67.15%0.04734%0.337CS..Hα-helixtrans-65.2-43.8174.8-67.7-178.5000111.6I227 E228 W233 L234 E235 T248 I251 R252I227-L231 HydrophobicContact CG2-CD1 4.12Å; I227-L231 HydrophobicContact CG2-CG 4.15Å; I227-L231 WeakPolarHBondContact O-CG 3.36Å; I227-L231 PolarHBondContact O-N 3.06Å; E228-L231 PolarHBondContact O-N 3.04Å; L231-W233 VanDerWaalsContact C-N 3.34Å; L231-W233 PolarHBondContact O-N 3.03Å; L231-L234 WeakPolarHBondContact O-CB 3.42Å; L231-L234 PolarHBondContact O-N 3.17Å; L231-L234 VanDerWaalsContact O-N 3.15Å; L231-E235 PolarHBondContact O-N 3.45Å; L231-T248 HydrophobicContact CB-CG2 4.04Å; L231-T248 HydrophobicContact CD2-CG2 4.01Å; L231-I251 HydrophobicContact CD1-CB 4.16Å; L231-I251 HydrophobicContact CD1-CG2 3.85Å; L231-I251 HydrophobicContact CD2-CB 4.07Å; L231-I251 HydrophobicContact CD2-CD1 3.61Å; L231-I251 HydrophobicContact CD2-CG1 4.43Å; L231-I251 HydrophobicContact CD2-CG2 4.04Å; L231-I251 HydrophobicContact CG-CG2 4.47Å; L231-R252 HydrophobicContact CD1-CG 3.73Å
232Q94.9Very high92.9Very high82 Ų8272 Ų7238%0.38335%0.354SS..Hα-helixtrans-60.9-45174.8-176.458.460.400111.1E228 L234 E235 D236E228-Q232 WeakPolarHBondContact O-CB 3.45Å; E228-Q232 PolarHBondContact O-N 3.22Å; Q232-L234 VanDerWaalsContact C-N 3.27Å; Q232-L234 PolarHBondContact O-N 3.19Å; Q232-E235 PolarHBondContact O-N 3Å; Q232-E235 VanDerWaalsContact O-N 3.16Å; Q232-D236 VanDerWaalsContact NE2-CG 3.33Å; Q232-D236 PolarHBondContact NE2-OD1 2.93Å; Q232-D236 PolarHBondContact NE2-OD2 3.48Å; Q232-D236 PolarHBondContact O-N 3.22Å
233W94.4Very high92.6Very high143 Ų14373.7 Ų73.754%0.54235%0.353SS..Hα-helixtrans-58.6-40.1174.5-175.893000111.7Q229 R230 L231 D236 N237Q229-W233 WeakPolarHBondContact O-CB 3.33Å; Q229-W233 PolarHBondContact O-N 3.09Å; R230-W233 PolarHBondContact O-N 3.36Å; L231-W233 VanDerWaalsContact C-N 3.34Å; L231-W233 PolarHBondContact O-N 3.03Å; W233-D236 PolarHBondContact O-N 3.06Å; W233-N237 VanDerWaalsContact CD1-ND2 3.27Å; W233-N237 HydrophobicContact CD2-CB 4.42Å; W233-N237 VanDerWaalsContact CE2-ND2 3.29Å; W233-N237 HydrophobicContact CE3-CB 4.5Å; W233-N237 HydrophobicContact CH2-CB 4.38Å; W233-N237 HydrophobicContact CZ2-CB 4.29Å; W233-N237 HydrophobicContact CZ3-CB 4.48Å; W233-N237 PolarHBondContact NE1-ND2 3.05Å; W233-N237 VanDerWaalsContact NE1-ND2 3.19Å; W233-N237 VanDerWaalsContact O-CB 3.31Å; W233-N237 WeakPolarHBondContact O-CB 3.17Å; W233-N237 PolarHBondContact O-N 3.23Å; W233-N237 PolarHBondContact O-ND2 2.76Å
234L92.3Very high92.3Very high57 Ų5770.7 Ų70.730%0.29834%0.335SS..Hα-helixtrans-63.1-43.4175.5-176.563.5000112.1R230 L231 Q232 D236 N237 D238 T247 T248R230-L234 PolarHBondContact O-N 3.36Å; L231-L234 WeakPolarHBondContact O-CB 3.42Å; L231-L234 PolarHBondContact O-N 3.17Å; L231-L234 VanDerWaalsContact O-N 3.15Å; Q232-L234 VanDerWaalsContact C-N 3.27Å; Q232-L234 PolarHBondContact O-N 3.19Å; L234-D236 VanDerWaalsContact C-N 3.3Å; L234-D236 PolarHBondContact O-N 2.63Å; L234-N237 PolarHBondContact O-N 3.39Å; L234-D238 WeakPolarHBondContact O-CB 3.45Å; L234-D238 PolarHBondContact O-N 3.25Å; L234-T247 HydrophobicContact CD2-CG2 4.3Å; L234-T248 HydrophobicContact CD2-CG2 4.35Å
235E91.2Very high92.1Very high45 Ų4569.9 Ų69.921%0.2133%0.332CS..Hα-helixtrans-62.5-37.3176.2-70174.7154.700112.3L231 Q232 T248 R252L231-E235 PolarHBondContact O-N 3.45Å; Q232-E235 PolarHBondContact O-N 3Å; Q232-E235 VanDerWaalsContact O-N 3.16Å; E235-T248 HydrophobicContact CG-CG2 3.49Å; E235-T248 VanDerWaalsContact CG-CG2 3.49Å; E235-T248 VanDerWaalsContact OE1-CB 3.23Å; E235-T248 WeakPolarHBondContact OE1-CB 3.46Å; E235-T248 PolarHBondContact OE1-OG1 3.06Å; E235-R252 IonicContact OE1-CZ 3.12Å; E235-R252 IonicContact OE1-NH1 3.48Å; E235-R252 PolarHBondContact OE1-NH1 2.87Å; E235-R252 IonicContact OE1-NH2 2.84Å; E235-R252 IonicContact OE2-CZ 2.98Å; E235-R252 IonicContact OE2-NH1 3.63Å; E235-R252 IonicContact OE2-NH2 2.64Å; E235-R252 PolarHBondContact OE2-NH2 3.39Å
236D89.1Confident92Very high61 Ų6170.9 Ų70.933%0.32634%0.337SS..Hα-helixtrans-77.4-28.2-178.6-68.8-33.9000113.2S138 Q232 W233 L234S138-D236 PolarHBondContact N-O 2.79Å; Q232-D236 VanDerWaalsContact NE2-CG 3.33Å; Q232-D236 PolarHBondContact NE2-OD1 2.93Å; Q232-D236 PolarHBondContact NE2-OD2 3.48Å; Q232-D236 PolarHBondContact O-N 3.22Å; W233-D236 PolarHBondContact O-N 3.06Å; L234-D236 VanDerWaalsContact C-N 3.3Å; L234-D236 PolarHBondContact O-N 2.63Å
237N88Confident91.8Very high22 Ų2270.5 Ų70.512%0.11834%0.335CS..Hα-helixtrans-106.9-12.1-173.6-67-82.4000114.6F107 R111 W233 L234 C239F107-N237 WeakPolarHBondContact CE1-O 3.46Å; R111-N237 PolarHBondContact NH1-OD1 3.25Å; W233-N237 VanDerWaalsContact CD1-ND2 3.27Å; W233-N237 HydrophobicContact CD2-CB 4.42Å; W233-N237 VanDerWaalsContact CE2-ND2 3.29Å; W233-N237 HydrophobicContact CE3-CB 4.5Å; W233-N237 HydrophobicContact CH2-CB 4.38Å; W233-N237 HydrophobicContact CZ2-CB 4.29Å; W233-N237 HydrophobicContact CZ3-CB 4.48Å; W233-N237 PolarHBondContact NE1-ND2 3.05Å; W233-N237 VanDerWaalsContact NE1-ND2 3.19Å; W233-N237 VanDerWaalsContact O-CB 3.31Å; W233-N237 WeakPolarHBondContact O-CB 3.17Å; W233-N237 PolarHBondContact O-N 3.23Å; W233-N237 PolarHBondContact O-ND2 2.76Å; L234-N237 PolarHBondContact O-N 3.39Å; N237-C239 PolarHBondContact O-N 3.06Å
238D86.9Confident91.8Very high12 Ų1268.1 Ų68.16%0.06432%0.322CS..  trans-78.9120.2174.4-168.9-15.7000110.3S138 L234 N240 R243 S244S138-D238 WeakPolarHBondContact CB-O 3.49Å; S138-D238 PolarHBondContact OG-O 3.11Å; L234-D238 WeakPolarHBondContact O-CB 3.45Å; L234-D238 PolarHBondContact O-N 3.25Å; D238-N240 VanDerWaalsContact CG-O 3.23Å; D238-N240 PolarHBondContact O-N 3.16Å; D238-N240 WeakPolarHBondContact OD1-CA 3.49Å; D238-N240 PolarHBondContact OD1-N 3.48Å; D238-R243 IonicContact OD1-CZ 3.92Å; D238-R243 IonicContact OD1-NE 3.74Å; D238-R243 PolarHBondContact OD1-NE 3.19Å; D238-R243 IonicContact OD1-NH2 3.53Å; D238-R243 PolarHBondContact OD1-NH2 3.41Å; D238-R243 IonicContact OD2-CZ 3.56Å; D238-R243 IonicContact OD2-NE 2.61Å; D238-R243 PolarHBondContact OD2-NE 3.07Å; D238-R243 IonicContact OD2-NH2 2.73Å; D238-R243 PolarHBondContact OD2-NH2 3.4Å; D238-S244 VanDerWaalsContact CB-CB 3.45Å; D238-S244 WeakPolarHBondContact OD2-CB 3.48Å; D238-S244 PolarHBondContact OD2-N 3Å
239C81.8Confident91.8Very high20 Ų2072.3 Ų72.314%0.13534%0.335CS..SBendtrans-64.5-18.8176.571.80000113.1F107 C156 N237F107-C239 HydrophobicContact CB-CB 3.72Å; F107-C239 HydrophobicContact CD1-CB 4.1Å; F107-C239 HydrophobicContact CD2-CB 3.99Å; F107-C239 HydrophobicContact CG-CB 3.65Å; C156-C239 WeakPolarHBondContact CA-SG 3.31Å; C156-C239 HydrophobicContact CB-CB 3.81Å; C156-C239 WeakPolarHBondContact CB-SG 3.46Å; C156-C239 PolarHBondContact O-SG 3.1Å; C156-C239 WeakPolarHBondContact SG-CB 3.46Å; C156-C239 PolarHBondContact SG-O 3.3Å; C156-C239 CovalentContact SG-SG 2.03Å; C156-C239 PolarHBondContact SG-SG 3.24Å; N237-C239 PolarHBondContact O-N 3.06Å
240N85.2Confident91.8Very high67 Ų6768.7 Ų68.736%0.35833%0.328SS..  trans-103.296.6170.4-173.5-22.9000109.8D238 E242 R243 S244D238-N240 VanDerWaalsContact CG-O 3.23Å; D238-N240 PolarHBondContact O-N 3.16Å; D238-N240 WeakPolarHBondContact OD1-CA 3.49Å; D238-N240 PolarHBondContact OD1-N 3.48Å; N240-E242 VanDerWaalsContact C-N 3.27Å; N240-E242 PolarHBondContact O-N 3.28Å; N240-E242 PolarHBondContact OD1-N 2.89Å; N240-E242 VanDerWaalsContact OD1-N 3.11Å; N240-R243 HydrophobicContact CB-CB 3.88Å; N240-R243 VanDerWaalsContact CG-CB 3.49Å; N240-R243 PolarHBondContact O-N 3.39Å; N240-R243 PolarHBondContact OD1-N 3.24Å; N240-S244 PolarHBondContact O-N 2.97Å; N240-S244 VanDerWaalsContact O-N 3.11Å; N240-S244 PolarHBondContact O-OG 3.23Å
241A84.3Confident91.8Very high56 Ų5663.6 Ų63.646%0.46331%0.313SS..Hα-helixtrans-64.1-29.2179.900000113.5S244 G245A241-S244 WeakPolarHBondContact CA-OG 3.49Å; A241-S244 PolarHBondContact O-OG 3.14Å; A241-G245 PolarHBondContact O-N 3.48Å
242E88.1Confident91.8Very high155 Ų15565.5 Ų65.572%0.72432%0.32SS*.Hα-helixtrans-72.2-44.2177.7-174.1179.6175.500110.8N240 K246N240-E242 VanDerWaalsContact C-N 3.27Å; N240-E242 PolarHBondContact O-N 3.28Å; N240-E242 PolarHBondContact OD1-N 2.89Å; N240-E242 VanDerWaalsContact OD1-N 3.11Å; E242-K246 VanDerWaalsContact O-CB 3.29Å; E242-K246 WeakPolarHBondContact O-CB 3.46Å; E242-K246 PolarHBondContact O-N 3.31Å
243R90.9Very high92Very high128 Ų12864.7 Ų64.748%0.48333%0.327SS..Hα-helixtrans-59.2-58.7176.7178177.964.5-175.5-2.4111D238 N240 G245 K246 T247D238-R243 IonicContact OD1-CZ 3.92Å; D238-R243 IonicContact OD1-NE 3.74Å; D238-R243 PolarHBondContact OD1-NE 3.19Å; D238-R243 IonicContact OD1-NH2 3.53Å; D238-R243 PolarHBondContact OD1-NH2 3.41Å; D238-R243 IonicContact OD2-CZ 3.56Å; D238-R243 IonicContact OD2-NE 2.61Å; D238-R243 PolarHBondContact OD2-NE 3.07Å; D238-R243 IonicContact OD2-NH2 2.73Å; D238-R243 PolarHBondContact OD2-NH2 3.4Å; N240-R243 HydrophobicContact CB-CB 3.88Å; N240-R243 VanDerWaalsContact CG-CB 3.49Å; N240-R243 PolarHBondContact O-N 3.39Å; N240-R243 PolarHBondContact OD1-N 3.24Å; R243-G245 VanDerWaalsContact C-N 3.35Å; R243-G245 PolarHBondContact O-N 2.96Å; R243-K246 PolarHBondContact O-N 2.95Å; R243-T247 PolarHBondContact O-N 3.14Å; R243-T247 PolarHBondContact O-OG1 3.4Å; R243-T247 VanDerWaalsContact O-OG1 3.14Å
244S91Very high92.1Very high2 Ų262.6 Ų62.61%0.01433%0.333CS..Hα-helixtrans-56.8-48.8178.646.70000111.5D238 N240 A241 K246 T247 T248D238-S244 VanDerWaalsContact CB-CB 3.45Å; D238-S244 WeakPolarHBondContact OD2-CB 3.48Å; D238-S244 PolarHBondContact OD2-N 3Å; N240-S244 PolarHBondContact O-N 2.97Å; N240-S244 VanDerWaalsContact O-N 3.11Å; N240-S244 PolarHBondContact O-OG 3.23Å; A241-S244 WeakPolarHBondContact CA-OG 3.49Å; A241-S244 PolarHBondContact O-OG 3.14Å; S244-K246 VanDerWaalsContact C-N 3.3Å; S244-K246 PolarHBondContact O-N 2.86Å; S244-T247 PolarHBondContact O-N 2.69Å; S244-T247 VanDerWaalsContact O-N 3.15Å; S244-T248 VanDerWaalsContact O-CG2 3.26Å; S244-T248 WeakPolarHBondContact O-CG2 3.43Å; S244-T248 PolarHBondContact O-N 3.49Å; S244-T248 PolarHBondContact O-OG1 3.45Å; S244-T248 VanDerWaalsContact O-OG1 3.12Å
245G92.6Very high92.4Very high7 Ų760.9 Ų60.97%0.07232%0.324CS..Hα-helixtrans-60.7-35.8179.700000113.6A241 R243 T248 R249A241-G245 PolarHBondContact O-N 3.48Å; R243-G245 VanDerWaalsContact C-N 3.35Å; R243-G245 PolarHBondContact O-N 2.96Å; G245-T248 WeakPolarHBondContact CA-OG1 3.42Å; G245-T248 PolarHBondContact O-OG1 3.02Å; G245-R249 WeakPolarHBondContact O-CB 3.39Å; G245-R249 VanDerWaalsContact O-CG 3.23Å; G245-R249 WeakPolarHBondContact O-CG 3.48Å; G245-R249 PolarHBondContact O-N 3.22Å; G245-R249 PolarHBondContact O-NE 3.29Å; G245-R249 PolarHBondContact O-NH1 3.02Å; G245-R249 VanDerWaalsContact O-NH1 3.08Å
246K94.9Very high92.6Very high150 Ų15062.5 Ų62.565%0.65233%0.332SS*.Hα-helixtrans-67.7-47.1174.7-175.2177179.8179.20110.8E242 R243 S244 G250E242-K246 VanDerWaalsContact O-CB 3.29Å; E242-K246 WeakPolarHBondContact O-CB 3.46Å; E242-K246 PolarHBondContact O-N 3.31Å; R243-K246 PolarHBondContact O-N 2.95Å; S244-K246 VanDerWaalsContact C-N 3.3Å; S244-K246 PolarHBondContact O-N 2.86Å; K246-G250 PolarHBondContact O-N 3.19Å; K246-G250 VanDerWaalsContact O-N 3.08Å
247T95.1Very high93Very high65 Ų6563.9 Ų63.940%0.39934%0.344SS..Hα-helixtrans-60.8-49.4178.7-61.70000111.6L234 R243 S244 R249 G250 I251L234-T247 HydrophobicContact CD2-CG2 4.3Å; R243-T247 PolarHBondContact O-N 3.14Å; R243-T247 PolarHBondContact O-OG1 3.4Å; R243-T247 VanDerWaalsContact O-OG1 3.14Å; S244-T247 PolarHBondContact O-N 2.69Å; S244-T247 VanDerWaalsContact O-N 3.15Å; T247-R249 PolarHBondContact O-N 2.93Å; T247-G250 PolarHBondContact O-N 3.49Å; T247-I251 HydrophobicContact CG2-CD1 3.85Å; T247-I251 WeakPolarHBondContact O-CG1 3.49Å; T247-I251 PolarHBondContact O-N 3.03Å
248T97Very high93.4Very high0 Ų068.4 Ų68.40%036%0.36CS..Hα-helixtrans-65.8-40.2-178.159.40000112.5L231 L234 E235 S244 G245 G250 I251 R252L231-T248 HydrophobicContact CB-CG2 4.04Å; L231-T248 HydrophobicContact CD2-CG2 4.01Å; L234-T248 HydrophobicContact CD2-CG2 4.35Å; E235-T248 HydrophobicContact CG-CG2 3.49Å; E235-T248 VanDerWaalsContact CG-CG2 3.49Å; E235-T248 VanDerWaalsContact OE1-CB 3.23Å; E235-T248 WeakPolarHBondContact OE1-CB 3.46Å; E235-T248 PolarHBondContact OE1-OG1 3.06Å; S244-T248 VanDerWaalsContact O-CG2 3.26Å; S244-T248 WeakPolarHBondContact O-CG2 3.43Å; S244-T248 PolarHBondContact O-N 3.49Å; S244-T248 PolarHBondContact O-OG1 3.45Å; S244-T248 VanDerWaalsContact O-OG1 3.12Å; G245-T248 WeakPolarHBondContact CA-OG1 3.42Å; G245-T248 PolarHBondContact O-OG1 3.02Å; T248-G250 VanDerWaalsContact C-N 3.32Å; T248-G250 PolarHBondContact O-N 3.12Å; T248-I251 PolarHBondContact O-N 3.28Å; T248-R252 WeakPolarHBondContact O-CB 3.46Å; T248-R252 VanDerWaalsContact O-CG 3.27Å; T248-R252 WeakPolarHBondContact O-CG 3.26Å; T248-R252 PolarHBondContact O-N 3.31Å; T248-R252 PolarHBondContact OG1-NH1 2.95Å
249R97.4Very high93.9Very high154 Ų15471.4 Ų71.458%0.58137%0.373SS*.Hα-helixtrans-59.9-43.4172.6-76.3-170.9-56.7-89.13.5111.6G245 T247 R252 A253G245-R249 WeakPolarHBondContact O-CB 3.39Å; G245-R249 VanDerWaalsContact O-CG 3.23Å; G245-R249 WeakPolarHBondContact O-CG 3.48Å; G245-R249 PolarHBondContact O-N 3.22Å; G245-R249 PolarHBondContact O-NE 3.29Å; G245-R249 PolarHBondContact O-NH1 3.02Å; G245-R249 VanDerWaalsContact O-NH1 3.08Å; T247-R249 PolarHBondContact O-N 2.93Å; R249-R252 PolarHBondContact O-N 2.99Å; R249-A253 WeakPolarHBondContact O-CB 3.46Å; R249-A253 PolarHBondContact O-N 2.8Å
250G98.1Very high94.6Very high37 Ų3774.8 Ų74.838%0.38139%0.386SS..Hα-helixtrans-58.6-51.8175.600000111.9K246 T247 T248 R252 A253 C254K246-G250 PolarHBondContact O-N 3.19Å; K246-G250 VanDerWaalsContact O-N 3.08Å; T247-G250 PolarHBondContact O-N 3.49Å; T248-G250 VanDerWaalsContact C-N 3.32Å; T248-G250 PolarHBondContact O-N 3.12Å; G250-R252 PolarHBondContact O-N 3.38Å; G250-A253 WeakPolarHBondContact O-CB 3.36Å; G250-A253 PolarHBondContact O-N 3.13Å; G250-C254 PolarHBondContact O-N 3.43Å; G250-C254 PolarHBondContact O-SG 2.99Å; G250-C254 VanDerWaalsContact O-SG 3.33Å
251I97.7Very high95Very high64 Ų6474.3 Ų74.333%0.32838%0.384SS..Hα-helixtrans-62.5-45.4179.5-63.6168.4000111I227 L231 T247 T248 A253 C254 L255I227-I251 HydrophobicContact CG2-CG2 4.42Å; L231-I251 HydrophobicContact CD1-CB 4.16Å; L231-I251 HydrophobicContact CD1-CG2 3.85Å; L231-I251 HydrophobicContact CD2-CB 4.07Å; L231-I251 HydrophobicContact CD2-CD1 3.61Å; L231-I251 HydrophobicContact CD2-CG1 4.43Å; L231-I251 HydrophobicContact CD2-CG2 4.04Å; L231-I251 HydrophobicContact CG-CG2 4.47Å; T247-I251 HydrophobicContact CG2-CD1 3.85Å; T247-I251 WeakPolarHBondContact O-CG1 3.49Å; T247-I251 PolarHBondContact O-N 3.03Å; T248-I251 PolarHBondContact O-N 3.28Å; I251-A253 PolarHBondContact O-N 3.13Å; I251-C254 CarbonylContact O-C 3.59Å; I251-C254 WeakPolarHBondContact O-CB 3.49Å; I251-C254 PolarHBondContact O-N 2.97Å; I251-L255 HydrophobicContact CG2-CD1 3.97Å; I251-L255 HydrophobicContact CG2-CG 4.28Å; I251-L255 WeakPolarHBondContact O-CG 3.4Å; I251-L255 PolarHBondContact O-N 3.32Å
252R97.7Very high95.5Very high49 Ų4973.7 Ų73.719%0.18537%0.372CS..Hα-helixtrans-58.6-37177.5-74.2178.6-174.1121.9-5.8112.3E228 L231 E235 T248 R249 G250 L255 E256E228-R252 IonicContact OE1-CZ 3.3Å; E228-R252 VanDerWaalsContact OE1-CZ 3.24Å; E228-R252 IonicContact OE1-NE 3.73Å; E228-R252 PolarHBondContact OE1-NE 3.39Å; E228-R252 IonicContact OE1-NH2 3.91Å; E228-R252 PolarHBondContact OE1-NH2 3.09Å; E228-R252 IonicContact OE2-NE 3.06Å; E228-R252 PolarHBondContact OE2-NE 3.37Å; L231-R252 HydrophobicContact CD1-CG 3.73Å; E235-R252 IonicContact OE1-CZ 3.12Å; E235-R252 IonicContact OE1-NH1 3.48Å; E235-R252 PolarHBondContact OE1-NH1 2.87Å; E235-R252 IonicContact OE1-NH2 2.84Å; E235-R252 IonicContact OE2-CZ 2.98Å; E235-R252 IonicContact OE2-NH1 3.63Å; E235-R252 IonicContact OE2-NH2 2.64Å; E235-R252 PolarHBondContact OE2-NH2 3.39Å; T248-R252 WeakPolarHBondContact O-CB 3.46Å; T248-R252 VanDerWaalsContact O-CG 3.27Å; T248-R252 WeakPolarHBondContact O-CG 3.26Å; T248-R252 PolarHBondContact O-N 3.31Å; T248-R252 PolarHBondContact OG1-NH1 2.95Å; R249-R252 PolarHBondContact O-N 2.99Å; G250-R252 PolarHBondContact O-N 3.38Å; R252-L255 PolarHBondContact O-N 2.88Å; R252-E256 PolarHBondContact O-N 3.36Å
253A98.1Very high95.8Very high65 Ų6573.2 Ų73.254%0.53737%0.365SS..Hα-helixtrans-67.2-42.817400000111.8R249 G250 I251 L255 E256R249-A253 WeakPolarHBondContact O-CB 3.46Å; R249-A253 PolarHBondContact O-N 2.8Å; G250-A253 WeakPolarHBondContact O-CB 3.36Å; G250-A253 PolarHBondContact O-N 3.13Å; I251-A253 PolarHBondContact O-N 3.13Å; A253-L255 PolarHBondContact O-N 3.22Å; A253-E256 VanDerWaalsContact O-CB 3.31Å; A253-E256 WeakPolarHBondContact O-CB 3.45Å; A253-E256 PolarHBondContact O-N 3.11Å; A253-E256 VanDerWaalsContact O-N 3.16Å
254C97.3Very high96Very high98 Ų9871 Ų7166%0.66236%0.36SS*.Hα-helixtrans-63.8-24.3174.7-64.70000113.4G250 I251 P257G250-C254 PolarHBondContact O-N 3.43Å; G250-C254 PolarHBondContact O-SG 2.99Å; G250-C254 VanDerWaalsContact O-SG 3.33Å; I251-C254 CarbonylContact O-C 3.59Å; I251-C254 WeakPolarHBondContact O-CB 3.49Å; I251-C254 PolarHBondContact O-N 2.97Å; C254-P257 WeakPolarHBondContact O-CD 3.42Å
255L96.9Very high96.1Very high21 Ų2174 Ų7411%0.1137%0.371CS..THydrogen-bonded Turntrans-84.6-7.1176.8-66.7172.1000114L224 I227 I251 R252 A253 Y258 K259L224-L255 HydrophobicContact CD2-CB 4.32Å; L224-L255 HydrophobicContact CD2-CD2 4.21Å; I227-L255 HydrophobicContact CB-CD1 4.31Å; I227-L255 HydrophobicContact CD1-CD2 4.04Å; I227-L255 HydrophobicContact CG2-CD1 3.56Å; I251-L255 HydrophobicContact CG2-CD1 3.97Å; I251-L255 HydrophobicContact CG2-CG 4.28Å; I251-L255 WeakPolarHBondContact O-CG 3.4Å; I251-L255 PolarHBondContact O-N 3.32Å; R252-L255 PolarHBondContact O-N 2.88Å; A253-L255 PolarHBondContact O-N 3.22Å; L255-Y258 HydrophobicContact CD2-CD2 4.44Å; L255-Y258 WeakPolarHBondContact O-CB 3.45Å; L255-Y258 PolarHBondContact O-N 3.17Å; L255-Y258 VanDerWaalsContact O-N 3.1Å; L255-K259 PolarHBondContact O-N 3.34Å; L255-K259 VanDerWaalsContact O-N 3.11Å
256E97.3Very high95.9Very high80 Ų8075.9 Ų75.937%0.37438%0.383SS..Hα-helixtrans-57.6-42.6-177-166.757.1-145.200113.5R252 A253 Y258 K259 Q260R252-E256 PolarHBondContact O-N 3.36Å; A253-E256 VanDerWaalsContact O-CB 3.31Å; A253-E256 WeakPolarHBondContact O-CB 3.45Å; A253-E256 PolarHBondContact O-N 3.11Å; A253-E256 VanDerWaalsContact O-N 3.16Å; E256-Y258 VanDerWaalsContact C-N 3.26Å; E256-Y258 PolarHBondContact O-N 2.95Å; E256-K259 WeakPolarHBondContact O-CB 3.46Å; E256-K259 PolarHBondContact O-N 3.44Å; E256-K259 VanDerWaalsContact O-N 3.07Å; E256-K259 WeakPolarHBondContact OE2-CD 3.44Å; E256-K259 IonicContact OE2-NZ 3.49Å; E256-Q260 WeakPolarHBondContact O-CG 3.2Å; E256-Q260 PolarHBondContact O-N 2.8Å; E256-Q260 PolarHBondContact OE1-NE2 3.46Å
257P97.3Very high95.8Very high90 Ų9070.9 Ų70.958%0.58437%0.365SS*.Hα-helixtrans-57.4-37.4175.2-25.435.8000113.5C254 Q260 L261C254-P257 WeakPolarHBondContact O-CD 3.42Å; P257-Q260 PolarHBondContact O-N 3.23Å; P257-L261 PolarHBondContact O-N 3.38Å
258Y96.4Very high95.5Very high117 Ų11774.6 Ų74.646%0.45937%0.372SS..Hα-helixtrans-71.3-34.1177.4-72.9-73.4000112.5L220 L255 E256 L261 L262L220-Y258 HydrophobicContact CD1-CD1 3.82Å; L220-Y258 HydrophobicContact CD1-CG 4.37Å; L255-Y258 HydrophobicContact CD2-CD2 4.44Å; L255-Y258 WeakPolarHBondContact O-CB 3.45Å; L255-Y258 PolarHBondContact O-N 3.17Å; L255-Y258 VanDerWaalsContact O-N 3.1Å; E256-Y258 VanDerWaalsContact C-N 3.26Å; E256-Y258 PolarHBondContact O-N 2.95Å; Y258-L261 PolarHBondContact O-N 3.46Å; Y258-L262 PolarHBondContact O-N 3.44Å
259K95.9Very high95Very high74 Ų7477.4 Ų77.432%0.32240%0.395SS..Hα-helixtrans-64.8-41.3172.2-67.6175.3-177.4169.10111.4L224 L255 E256 L262 Y263L224-K259 HydrophobicContact CD1-CG 4.4Å; L255-K259 PolarHBondContact O-N 3.34Å; L255-K259 VanDerWaalsContact O-N 3.11Å; E256-K259 WeakPolarHBondContact O-CB 3.46Å; E256-K259 PolarHBondContact O-N 3.44Å; E256-K259 VanDerWaalsContact O-N 3.07Å; E256-K259 WeakPolarHBondContact OE2-CD 3.44Å; E256-K259 IonicContact OE2-NZ 3.49Å; K259-L262 PolarHBondContact O-N 3.09Å; K259-Y263 PolarHBondContact O-N 2.88Å
260Q96.8Very high94.5Very high91 Ų9177.5 Ų77.543%0.42540%0.4SS..Hα-helixtrans-63.1-44.5174.3-62.9-56.4-35.200111.3E256 P257 L262 Y263 E264E256-Q260 WeakPolarHBondContact O-CG 3.2Å; E256-Q260 PolarHBondContact O-N 2.8Å; E256-Q260 PolarHBondContact OE1-NE2 3.46Å; P257-Q260 PolarHBondContact O-N 3.23Å; Q260-L262 VanDerWaalsContact C-N 3.3Å; Q260-L262 PolarHBondContact O-N 3Å; Q260-Y263 WeakPolarHBondContact O-CB 3.43Å; Q260-Y263 PolarHBondContact O-N 2.9Å; Q260-Y263 VanDerWaalsContact O-N 3.13Å; Q260-E264 WeakPolarHBondContact O-CG 3.39Å; Q260-E264 PolarHBondContact O-N 3.07Å
261L94.4Very high93.9Very high58 Ų5881.4 Ų81.430%0.30441%0.408SS..Hα-helixtrans-57.9-41174.8179.862.4000112.5L220 P257 Y258 R265L220-L261 HydrophobicContact CD2-CB 4.25Å; L220-L261 HydrophobicContact CD2-CD2 3.93Å; L220-L261 HydrophobicContact CD2-CG 3.89Å; P257-L261 PolarHBondContact O-N 3.38Å; Y258-L261 PolarHBondContact O-N 3.46Å; L261-R265 HydrophobicContact CD1-CG 4.45Å; L261-R265 WeakPolarHBondContact O-CB 3.36Å; L261-R265 VanDerWaalsContact O-CG 3.26Å; L261-R265 WeakPolarHBondContact O-CG 3.22Å; L261-R265 PolarHBondContact O-N 3.3Å
262L94.7Very high93.5Very high43 Ų4386 Ų8623%0.22543%0.426CS..Hα-helixtrans-66.6-41.5176.2-176.2144.3000111.9L220 S221 L224 Y258 K259 Q260 R265 S266L220-L262 HydrophobicContact CD2-CB 3.84Å; L220-L262 HydrophobicContact CG-CB 4.3Å; L220-L262 HydrophobicContact CG-CD1 4.27Å; S221-L262 VanDerWaalsContact CA-CD1 3.44Å; L224-L262 HydrophobicContact CD1-CB 4.36Å; L224-L262 HydrophobicContact CD1-CD1 4.02Å; Y258-L262 PolarHBondContact O-N 3.44Å; K259-L262 PolarHBondContact O-N 3.09Å; Q260-L262 VanDerWaalsContact C-N 3.3Å; Q260-L262 PolarHBondContact O-N 3Å; L262-R265 PolarHBondContact O-N 3.32Å; L262-S266 WeakPolarHBondContact O-CB 3.35Å; L262-S266 PolarHBondContact O-N 3.25Å; L262-S266 PolarHBondContact O-OG 3.15Å
263Y94.6Very high93.1Very high145 Ų14589.9 Ų89.957%0.56944%0.444SS*.Hα-helixtrans-60.6-49.1175175.9-101000111.1K259 Q260 R265 S266 T267K259-Y263 PolarHBondContact O-N 2.88Å; Q260-Y263 WeakPolarHBondContact O-CB 3.43Å; Q260-Y263 PolarHBondContact O-N 2.9Å; Q260-Y263 VanDerWaalsContact O-N 3.13Å; Y263-R265 PolarHBondContact O-N 3.14Å; Y263-S266 WeakPolarHBondContact O-CB 3.48Å; Y263-S266 PolarHBondContact O-N 3.06Å; Y263-S266 VanDerWaalsContact O-N 3.13Å; Y263-T267 HydrophobicContact CD1-CG2 4.2Å; Y263-T267 HydrophobicContact CD2-CG2 4.31Å; Y263-T267 HydrophobicContact CE1-CG2 3.75Å; Y263-T267 HydrophobicContact CE2-CG2 3.87Å; Y263-T267 HydrophobicContact CG-CG2 4.46Å; Y263-T267 WeakPolarHBondContact O-CG2 3.22Å; Y263-T267 PolarHBondContact O-N 2.91Å; Y263-T267 PolarHBondContact O-OG1 2.93Å
264E94.5Very high92.6Very high80 Ų8091.1 Ų91.137%0.37444%0.441SS..Hα-helixtrans-58.7-44.2176.4-73.8-176.2-148.500112.9Q260 S266 T267 R268Q260-E264 WeakPolarHBondContact O-CG 3.39Å; Q260-E264 PolarHBondContact O-N 3.07Å; E264-S266 VanDerWaalsContact C-N 3.25Å; E264-S266 PolarHBondContact O-N 3.34Å; E264-T267 WeakPolarHBondContact CA-OG1 3.48Å; E264-T267 PolarHBondContact O-N 3.39Å; E264-T267 PolarHBondContact O-OG1 3.28Å; E264-R268 WeakPolarHBondContact O-CB 3.42Å; E264-R268 WeakPolarHBondContact O-CG 3.43Å; E264-R268 PolarHBondContact O-N 2.89Å; E264-R268 IonicContact OE2-CZ 2.71Å; E264-R268 IonicContact OE2-NH2 3.46Å; E264-R268 PolarHBondContact OE2-NH2 3.42Å
265R92.9Very high92.3Very high67 Ų6791.1 Ų91.125%0.25343%0.431SS..Hα-helixtrans-62.3-37.4177.2-74.8171.5172.6-163-4.4111.3M215 T216 T217 L261 L262 Y263 A269M215-R265 PolarHBondContact O-NH1 3.48Å; M215-R265 PolarHBondContact O-NH2 2.94Å; T216-R265 PolarHBondContact O-NH1 3Å; T217-R265 HydrophobicContact CG2-CB 3.9Å; L261-R265 HydrophobicContact CD1-CG 4.45Å; L261-R265 WeakPolarHBondContact O-CB 3.36Å; L261-R265 VanDerWaalsContact O-CG 3.26Å; L261-R265 WeakPolarHBondContact O-CG 3.22Å; L261-R265 PolarHBondContact O-N 3.3Å; L262-R265 PolarHBondContact O-N 3.32Å; Y263-R265 PolarHBondContact O-N 3.14Å; R265-A269 WeakPolarHBondContact O-CB 3.38Å; R265-A269 PolarHBondContact O-N 3.28Å; R265-A269 VanDerWaalsContact O-N 3.15Å
266S89.2Confident92Very high45 Ų4597 Ų9732%0.31546%0.456SS..Hα-helixtrans-70.6-41.2177.9-57.90000112.6L262 Y263 E264 K270L262-S266 WeakPolarHBondContact O-CB 3.35Å; L262-S266 PolarHBondContact O-N 3.25Å; L262-S266 PolarHBondContact O-OG 3.15Å; Y263-S266 WeakPolarHBondContact O-CB 3.48Å; Y263-S266 PolarHBondContact O-N 3.06Å; Y263-S266 VanDerWaalsContact O-N 3.13Å; E264-S266 VanDerWaalsContact C-N 3.25Å; E264-S266 PolarHBondContact O-N 3.34Å; S266-K270 WeakPolarHBondContact O-CG 3.49Å; S266-K270 PolarHBondContact O-N 2.6Å
267T91.5Very high91.5Very high46 Ų4699.6 Ų99.628%0.28246%0.463SS..Hα-helixtrans-69.2-43.4177.454.70000111.4Y263 E264 A269 K270 Q271Y263-T267 HydrophobicContact CD1-CG2 4.2Å; Y263-T267 HydrophobicContact CD2-CG2 4.31Å; Y263-T267 HydrophobicContact CE1-CG2 3.75Å; Y263-T267 HydrophobicContact CE2-CG2 3.87Å; Y263-T267 HydrophobicContact CG-CG2 4.46Å; Y263-T267 WeakPolarHBondContact O-CG2 3.22Å; Y263-T267 PolarHBondContact O-N 2.91Å; Y263-T267 PolarHBondContact O-OG1 2.93Å; E264-T267 WeakPolarHBondContact CA-OG1 3.48Å; E264-T267 PolarHBondContact O-N 3.39Å; E264-T267 PolarHBondContact O-OG1 3.28Å; T267-A269 VanDerWaalsContact C-N 3.29Å; T267-A269 PolarHBondContact O-N 3.13Å; T267-K270 WeakPolarHBondContact O-CB 3.39Å; T267-K270 PolarHBondContact O-N 3.02Å; T267-K270 VanDerWaalsContact O-N 3.14Å; T267-Q271 PolarHBondContact O-N 2.92Å
268R90.6Very high91Very high143 Ų143100.7 Ų100.754%0.5446%0.459SS..Hα-helixtrans-58.9-39.1175.2-71.6177.9-160.6-162.710.6111.9E264 Q271 K272E264-R268 WeakPolarHBondContact O-CB 3.42Å; E264-R268 WeakPolarHBondContact O-CG 3.43Å; E264-R268 PolarHBondContact O-N 2.89Å; E264-R268 IonicContact OE2-CZ 2.71Å; E264-R268 IonicContact OE2-NH2 3.46Å; E264-R268 PolarHBondContact OE2-NH2 3.42Å; R268-Q271 PolarHBondContact O-N 3.37Å; R268-K272 WeakPolarHBondContact O-CB 3.4Å; R268-K272 WeakPolarHBondContact O-CG 3.34Å; R268-K272 PolarHBondContact O-N 2.88Å
269A86.3Confident90.7Very high59 Ų5998.7 Ų98.749%0.48846%0.459SS..Hα-helixtrans-63.7-42.617600000112.3R265 T267 K273R265-A269 WeakPolarHBondContact O-CB 3.38Å; R265-A269 PolarHBondContact O-N 3.28Å; R265-A269 VanDerWaalsContact O-N 3.15Å; T267-A269 VanDerWaalsContact C-N 3.29Å; T267-A269 PolarHBondContact O-N 3.13Å; A269-K273 WeakPolarHBondContact O-CB 3.49Å; A269-K273 PolarHBondContact O-N 3.15Å
270K85.6Confident90.2Very high156 Ų15697.5 Ų97.568%0.67846%0.463SS*.Hα-helixtrans-63.9-43175.2-68173-176.3179.70111.7S266 T267 K273 L274S266-K270 WeakPolarHBondContact O-CG 3.49Å; S266-K270 PolarHBondContact O-N 2.6Å; T267-K270 WeakPolarHBondContact O-CB 3.39Å; T267-K270 PolarHBondContact O-N 3.02Å; T267-K270 VanDerWaalsContact O-N 3.14Å; K270-K273 PolarHBondContact O-N 3.27Å; K270-L274 PolarHBondContact O-N 3.33Å
271Q86.9Confident89.5Confident119 Ų11999.2 Ų99.256%0.55647%0.473SS*.Hα-helixtrans-62.3-49177.4-172.2178-0.800111.2T267 R268 K273 L274 E275T267-Q271 PolarHBondContact O-N 2.92Å; R268-Q271 PolarHBondContact O-N 3.37Å; Q271-K273 VanDerWaalsContact C-N 3.28Å; Q271-K273 PolarHBondContact O-N 3.47Å; Q271-L274 WeakPolarHBondContact O-CB 3.06Å; Q271-L274 PolarHBondContact O-N 2.88Å; Q271-E275 HydrophobicContact CG-CG 4.43Å; Q271-E275 WeakPolarHBondContact O-CG 3.46Å; Q271-E275 PolarHBondContact O-N 3.05Å
272K89.6Confident88.8Confident160 Ų160103.2 Ų103.270%0.69649%0.488SS*.Hα-helixtrans-57.2-40.8176-74.2-179.9179.3-172.30112.5R268 L274 F276R268-K272 WeakPolarHBondContact O-CB 3.4Å; R268-K272 WeakPolarHBondContact O-CG 3.34Å; R268-K272 PolarHBondContact O-N 2.88Å; K272-L274 VanDerWaalsContact C-N 3.35Å; K272-F276 WeakPolarHBondContact O-CB 3.44Å; K272-F276 PolarHBondContact O-N 3.12Å
273K88.7Confident87.9Confident131 Ų131108 Ų10857%0.5751%0.507SS*.Hα-helixtrans-62.6-42.3175.7-176.4172.3-178.2176.40111.4A269 K270 Q271 F276 Y277A269-K273 WeakPolarHBondContact O-CB 3.49Å; A269-K273 PolarHBondContact O-N 3.15Å; K270-K273 PolarHBondContact O-N 3.27Å; Q271-K273 VanDerWaalsContact C-N 3.28Å; Q271-K273 PolarHBondContact O-N 3.47Å; K273-F276 PolarHBondContact O-N 3Å; K273-Y277 HydrophobicContact CD-CE2 4.37Å; K273-Y277 HydrophobicContact CG-CD2 4.24Å; K273-Y277 HydrophobicContact CG-CE2 3.74Å; K273-Y277 WeakPolarHBondContact O-CD2 3.42Å; K273-Y277 PolarHBondContact O-N 3.34Å
274L87.8Confident86.5Confident91 Ų91107.7 Ų107.748%0.47651%0.51SS..Hα-helixtrans-66.6-46.9177.9-174.865.7000112.3K270 Q271 K272 F276 Y277 F278K270-L274 PolarHBondContact O-N 3.33Å; Q271-L274 WeakPolarHBondContact O-CB 3.06Å; Q271-L274 PolarHBondContact O-N 2.88Å; K272-L274 VanDerWaalsContact C-N 3.35Å; L274-F276 PolarHBondContact O-N 3.3Å; L274-Y277 PolarHBondContact O-N 3.49Å; L274-Y277 VanDerWaalsContact O-N 3.12Å; L274-F278 HydrophobicContact CD1-CD2 4.36Å; L274-F278 HydrophobicContact CD1-CE2 3.74Å; L274-F278 HydrophobicContact CD1-CZ 4.2Å; L274-F278 HydrophobicContact CD2-CE2 3.93Å; L274-F278 HydrophobicContact CG-CD2 3.97Å; L274-F278 HydrophobicContact CG-CE2 3.5Å; L274-F278 HydrophobicContact CG-CZ 4.4Å; L274-F278 WeakPolarHBondContact O-CD2 3.39Å; L274-F278 PolarHBondContact O-N 3.3Å; L274-F278 VanDerWaalsContact O-N 3.09Å
275E90.7Very high84.7Confident97 Ų97108.3 Ų108.345%0.45352%0.522SS..Hα-helixtrans-59.1-37175.9-68.1-57149.100112.1Q271 F278 T279Q271-E275 HydrophobicContact CG-CG 4.43Å; Q271-E275 WeakPolarHBondContact O-CG 3.46Å; Q271-E275 PolarHBondContact O-N 3.05Å; E275-F278 PolarHBondContact O-N 2.93Å; E275-T279 WeakPolarHBondContact O-CB 3.36Å; E275-T279 PolarHBondContact O-N 3.41Å; E275-T279 PolarHBondContact O-OG1 3.47Å
276F90.1Very high83.1Confident145 Ų145110.7 Ų110.764%0.63654%0.54SS*.Hα-helixtrans-62-43.8174.9179.8-95.4000112.2K272 K273 L274 T279 A280K272-F276 WeakPolarHBondContact O-CB 3.44Å; K272-F276 PolarHBondContact O-N 3.12Å; K273-F276 PolarHBondContact O-N 3Å; L274-F276 PolarHBondContact O-N 3.3Å; F276-T279 PolarHBondContact O-N 3.28Å; F276-A280 WeakPolarHBondContact O-CB 3.44Å; F276-A280 PolarHBondContact O-N 3.35Å
277Y86.7Confident81.7Confident134 Ų134115.1 Ų115.153%0.52556%0.56SS.*Hα-helixtrans-62.1-44.1175.2-77-70.5000112.1K273 L274 T279 A280 M281K273-Y277 HydrophobicContact CD-CE2 4.37Å; K273-Y277 HydrophobicContact CG-CD2 4.24Å; K273-Y277 HydrophobicContact CG-CE2 3.74Å; K273-Y277 WeakPolarHBondContact O-CD2 3.42Å; K273-Y277 PolarHBondContact O-N 3.34Å; L274-Y277 PolarHBondContact O-N 3.49Å; L274-Y277 VanDerWaalsContact O-N 3.12Å; Y277-T279 VanDerWaalsContact C-N 3.34Å; Y277-T279 PolarHBondContact O-N 2.77Å; Y277-A280 PolarHBondContact O-N 2.89Å; Y277-M281 WeakPolarHBondContact O-CG 3.32Å; Y277-M281 PolarHBondContact O-N 3.09Å
278F87.9Confident80.1Confident114 Ų114120.8 Ų120.850%0.558%0.581SS.*Hα-helixtrans-62.8-41176.6-72.7-56.5000112.3L274 E275 A280 M281 K282L274-F278 HydrophobicContact CD1-CD2 4.36Å; L274-F278 HydrophobicContact CD1-CE2 3.74Å; L274-F278 HydrophobicContact CD1-CZ 4.2Å; L274-F278 HydrophobicContact CD2-CE2 3.93Å; L274-F278 HydrophobicContact CG-CD2 3.97Å; L274-F278 HydrophobicContact CG-CE2 3.5Å; L274-F278 HydrophobicContact CG-CZ 4.4Å; L274-F278 WeakPolarHBondContact O-CD2 3.39Å; L274-F278 PolarHBondContact O-N 3.3Å; L274-F278 VanDerWaalsContact O-N 3.09Å; E275-F278 PolarHBondContact O-N 2.93Å; F278-A280 PolarHBondContact O-N 3.35Å; F278-M281 PolarHBondContact O-N 3.44Å; F278-K282 PolarHBondContact O-N 3.18Å
279T89.1Confident78.4Confident75 Ų75122.6 Ų122.646%0.4660%0.595SS.*Hα-helixtrans-63.1-41.7176.3-55.10000111.5E275 F276 Y277 K282 K283E275-T279 WeakPolarHBondContact O-CB 3.36Å; E275-T279 PolarHBondContact O-N 3.41Å; E275-T279 PolarHBondContact O-OG1 3.47Å; F276-T279 PolarHBondContact O-N 3.28Å; Y277-T279 VanDerWaalsContact C-N 3.34Å; Y277-T279 PolarHBondContact O-N 2.77Å; T279-K282 PolarHBondContact O-N 3.33Å; T279-K283 PolarHBondContact O-N 3Å
280A85.9Confident77Confident48 Ų48124.7 Ų124.740%0.39761%0.612SS.*Hα-helixtrans-64.6-40.4176.700000112.3F276 Y277 F278F276-A280 WeakPolarHBondContact O-CB 3.44Å; F276-A280 PolarHBondContact O-N 3.35Å; Y277-A280 PolarHBondContact O-N 2.89Å; F278-A280 PolarHBondContact O-N 3.35Å
281M81.2Confident75.8Confident128 Ų128125 Ų12563%0.63162%0.621SS**Hα-helixtrans-66.8-39.6176-67.1-133.7-60.700112.5Y277 F278 K283 H284 C285Y277-M281 WeakPolarHBondContact O-CG 3.32Å; Y277-M281 PolarHBondContact O-N 3.09Å; F278-M281 PolarHBondContact O-N 3.44Å; M281-K283 PolarHBondContact O-N 3.5Å; M281-H284 WeakPolarHBondContact O-CB 3.49Å; M281-H284 PolarHBondContact O-N 3.04Å; M281-C285 PolarHBondContact O-N 2.98Å
282K80.5Confident74.3Confident142 Ų142124.7 Ų124.762%0.61763%0.629SS**Hα-helixtrans-60.8-46.2179.3-176.4128.3-177.2164.10112.3F278 T279 H284 C285 D286F278-K282 PolarHBondContact O-N 3.18Å; T279-K282 PolarHBondContact O-N 3.33Å; K282-H284 PolarHBondContact O-N 3.32Å; K282-C285 PolarHBondContact O-N 3.17Å; K282-D286 PolarHBondContact O-N 3.5Å
283K76.1Confident72.9Confident144 Ų144122.7 Ų122.763%0.62664%0.635SS**Hα-helixtrans-58-31.8176.3-70.8-174.9178.8-174.10113.2T279 M281 N287T279-K283 PolarHBondContact O-N 3Å; M281-K283 PolarHBondContact O-N 3.5Å; K283-N287 PolarHBondContact O-N 3.19Å
284H65Low71.5Confident138 Ų138123.2 Ų123.264%0.63965%0.65SS**Hα-helixtrans-74.4-27.9179-126.6-52.7000113.2M281 K282M281-H284 WeakPolarHBondContact O-CB 3.49Å; M281-H284 PolarHBondContact O-N 3.04Å; K282-H284 PolarHBondContact O-N 3.32Å
285C57.5Low70.2Confident92 Ų92123.5 Ų123.562%0.62266%0.659SS**Hα-helixtrans-76.5-38.8175-72.40000112M281 K282 N287 K288M281-C285 PolarHBondContact O-N 2.98Å; K282-C285 PolarHBondContact O-N 3.17Å; C285-N287 PolarHBondContact O-N 3.3Å; C285-K288 PolarHBondContact O-N 3.17Å
286D59.3Low68.6Low118 Ų118126.3 Ų126.363%0.63168%0.677SS**Hα-helixtrans-69.9-23.3-178.3-61.8-32.3000112.5K282 K288K282-D286 PolarHBondContact O-N 3.5Å; D286-K288 VanDerWaalsContact C-N 3.34Å
287N58.9Low67.1Low138 Ų138130.7 Ų130.774%0.73869%0.69SS**THydrogen-bonded Turntrans-83-4.6175.1-70.8-8.1000114K283 C285 E289K283-N287 PolarHBondContact O-N 3.19Å; C285-N287 PolarHBondContact O-N 3.3Å; N287-E289 PolarHBondContact O-N 3.34Å
288K58.2Low65.9Low165 Ų165129.9 Ų129.972%0.71770%0.698SS**SBendtrans-86.8100.7175.1-71.7-161.7177.1-175.10109.2C285 D286 A290C285-K288 PolarHBondContact O-N 3.17Å; D286-K288 VanDerWaalsContact C-N 3.34Å; K288-A290 PolarHBondContact O-N 3.43Å
289E55.5Low64.8Low181 Ų181129.4 Ų129.485%0.84671%0.709SS**  trans-25.9127.2162.5-107.7173.815900112.4N287 L291N287-E289 PolarHBondContact O-N 3.34Å; E289-L291 PolarHBondContact O-N 2.94Å
290A56.3Low63.7Low102 Ų102131.6 Ų131.684%0.84372%0.723SS**  trans-54.6104.2-178.300000111K288K288-A290 PolarHBondContact O-N 3.43Å
291L59.5Low61.9Low163 Ų163140.1 Ų140.185%0.85374%0.744SS**  trans-72.6129.8171.3-72.9169.5000109.2E289 S293E289-L291 PolarHBondContact O-N 2.94Å; L291-S293 PolarHBondContact O-N 3.42Å
292P55.5Low60.9Low112 Ų112142.9 Ų142.973%0.72777%0.772SS**  trans-64.9131.2-177.723.5-31.4000111.6T294P292-T294 PolarHBondContact O-N 3.18Å
293S59.9Low59.9Low119 Ų119142.9 Ų142.983%0.83278%0.779SS**  trans-63.8108.2-177.7172.50000112L291 S295L291-S293 PolarHBondContact O-N 3.42Å; S293-S295 PolarHBondContact O-N 3.29Å
294T59.8Low59Low142 Ų142142.8 Ų142.887%0.87179%0.787SS**  trans-8789175.455.40000110.5P292P292-T294 PolarHBondContact O-N 3.18Å
295S60.6Low58.7Low96 Ų96143.1 Ų143.167%0.67180%0.796SS**  trans-124.780.3167.2-171.10000109.6S293 R297S293-S295 PolarHBondContact O-N 3.29Å; S295-R297 PolarHBondContact O-N 3.29Å
296N57.3Low58.8Low157 Ų157146.1 Ų146.184%0.8481%0.806SS**  trans-93.190.3167.2-82.6-3.4000108.7T298N296-T298 PolarHBondContact O-N 3.48Å
297R57.9Low58.8Low237 Ų237147.9 Ų147.989%0.89482%0.817SS**  trans-77.887.3169.5-173.9-178.5-172.1-178.72.5108.9S295 S299S295-R297 PolarHBondContact O-N 3.29Å; R297-S299 PolarHBondContact O-N 3.32Å
298T63.3Low58.8Low116 Ų116148.5 Ų148.571%0.71282%0.822SS**  trans-88.495.9175.2-44.50000109.3N296 V300N296-T298 PolarHBondContact O-N 3.48Å; T298-V300 HydrophobicContact CG2-CG2 3.92Å; T298-V300 PolarHBondContact O-N 3.18Å
299S63.4Low58.8Low104 Ų104147.4 Ų147.473%0.72783%0.83SS**  trans-78.495.8170165.50000108.9R297R297-S299 PolarHBondContact O-N 3.32Å
300V66Low59Low122 Ų122144.8 Ų144.874%0.73983%0.828SS**  trans-89.3110.6170-175.70000108.1T298T298-V300 HydrophobicContact CG2-CG2 3.92Å; T298-V300 PolarHBondContact O-N 3.18Å
301R48.5Very low59.3Low227 Ų227148.3 Ų148.386%0.85783%0.827SS**  trans-112.8115173.6-173.3-175.6-170.5-158.73.1107.9
302P59.7Low59.3Low185 Ų185147 Ų147100%1.20183%0.825SS**  trans-860148.8-0.620.7000110.1

Retrieved 302 of 302 residues in 87.2 ms (Link to these results)