A0A077Z1R7_TRITR Loading...

Protein gooseberry neuro

AlphaFold DB , UniProt , Accession A0A077Z1R7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 264 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
1M35.6Very low55.5Low240 Ų240132.4 Ų132.4100%1.18273%0.733SS**  0146.80-68.2177.4172.100108.3
2I44.9Very low58.4Low177 Ų177132.1 Ų132.191%0.90873%0.727SS**  trans92.261.1-166.7-41.1160000114.1
3L49.7Very low61Low169 Ų169124.7 Ų124.789%0.88569%0.686SS**  trans-113.5-4.7162.8-101.8160.4000113.5
4N42.5Very low63.2Low138 Ų138130.4 Ų130.474%0.73871%0.706SS**  trans-127.395.9-164.8-63.7-14.1000111.3
5S42.8Very low65.2Low121 Ų121126.3 Ų126.385%0.84668%0.683SS**SBendtrans179.820155.9-920000117.4
6I48.9Very low66.8Low89 Ų89120.9 Ų120.946%0.45667%0.666SS.*  trans-133.535-177.4-30.8175.5000114.2G8 I20I6-G8 VanDerWaalsContact C-N 3.26Å; I6-G8 PolarHBondContact O-N 3.31Å; I6-I20 HydrophobicContact CB-CD1 4.47Å; I6-I20 HydrophobicContact CD1-CD1 4.4Å; I6-I20 HydrophobicContact CG2-CD1 3.72Å
7I50.9Low68.3Low172 Ų172114.3 Ų114.388%0.88263%0.631SS**THydrogen-bonded Turntrans-75.6-9.1-174.7-64.6173.6000113.1
8G55.4Low69.5Low77 Ų77115.1 Ų115.179%0.79463%0.634SS**THydrogen-bonded Turntrans-94.1-8.3-172.600000118.8I6I6-G8 VanDerWaalsContact C-N 3.26Å; I6-G8 PolarHBondContact O-N 3.31Å
9Q73.1Confident70.7Confident130 Ų130112.9 Ų112.961%0.60762%0.617SS**SBendtrans-1352.8-172.1-67.7-171.9-20.800115.2I20Q9-I20 HydrophobicContact CB-CG2 4.44Å
10G80.8Confident71.7Confident35 Ų35109.3 Ų109.336%0.36160%0.597SS.*EExtended strand (participates in β ladder)trans-64.6136.2177.300000111.6
11R85.6Confident72.4Confident108 Ų108108.8 Ų108.841%0.40859%0.594SS.*EExtended strand (participates in β ladder)trans-119.4154170-59.1-170.789.397.50.5109.4L18 F19 N21R11-L18 WeakPolarHBondContact O-CA 3.24Å; R11-F19 HydrophobicContact CB-CD1 4.25Å; R11-F19 HydrophobicContact CB-CE1 3.65Å; R11-F19 HydrophobicContact CB-CE2 4.26Å; R11-F19 HydrophobicContact CB-CZ 3.67Å; R11-F19 PolarHBondContact N-O 3.32Å; R11-F19 WeakPolarHBondContact O-CD1 3.09Å; R11-F19 WeakPolarHBondContact O-CE1 3.26Å; R11-F19 PolarHBondContact O-N 3.1Å; R11-N21 VanDerWaalsContact CD-ND2 3.29Å; R11-N21 WeakPolarHBondContact CD-ND2 3.36Å
12I90.6Very high74.7Confident129 Ų129101.7 Ų101.766%0.66258%0.582SS**EExtended strand (participates in β ladder)trans-99.7131.9176.1-59178.1000108.5
13N92.4Very high76.8Confident36 Ų36100 Ų10019%0.19356%0.564CS.*  trans-85.3176.9176.468.231.5000111.4L15 G16 G17 F19 K51N13-L15 PolarHBondContact O-N 3.36Å; N13-L15 VanDerWaalsContact O-N 3.09Å; N13-L15 VanDerWaalsContact OD1-CA 3.31Å; N13-L15 WeakPolarHBondContact OD1-CA 3.47Å; N13-L15 WeakPolarHBondContact OD1-CB 3.41Å; N13-L15 PolarHBondContact OD1-N 3.2Å; N13-G16 PolarHBondContact O-N 3.23Å; N13-G16 PolarHBondContact OD1-N 3.48Å; N13-G16 VanDerWaalsContact OD1-N 3.14Å; N13-G17 VanDerWaalsContact CG-O 3.26Å; N13-G17 PolarHBondContact N-O 3.16Å; N13-G17 PolarHBondContact ND2-O 3.47Å; N13-G17 PolarHBondContact OD1-N 2.85Å; N13-F19 HydrophobicContact CB-CD1 3.84Å; N13-F19 HydrophobicContact CB-CE1 3.77Å; N13-K51 PolarHBondContact ND2-O 2.89Å
14Q92.2Very high78.9Confident205 Ų20596.1 Ų96.196%0.95855%0.549SS*.THydrogen-bonded Turntrans-63.7-14.7179.6-68.3174.5-19.900114.5
15L92.2Very high81.3Confident69 Ų6991 Ų9136%0.36152%0.522SS..THydrogen-bonded Turntrans-96.14.4176.2-58.1170.2000111.9N13 G17 S47 K51 V52N13-L15 PolarHBondContact O-N 3.36Å; N13-L15 VanDerWaalsContact O-N 3.09Å; N13-L15 VanDerWaalsContact OD1-CA 3.31Å; N13-L15 WeakPolarHBondContact OD1-CA 3.47Å; N13-L15 WeakPolarHBondContact OD1-CB 3.41Å; N13-L15 PolarHBondContact OD1-N 3.2Å; L15-G17 VanDerWaalsContact C-N 3.33Å; L15-S47 WeakPolarHBondContact CD1-OG 3.4Å; L15-K51 HydrophobicContact CB-CB 4.23Å; L15-K51 WeakPolarHBondContact O-CB 3.45Å; L15-K51 WeakPolarHBondContact O-CD 3.41Å; L15-K51 VanDerWaalsContact O-CG 3.28Å; L15-K51 WeakPolarHBondContact O-CG 3.28Å; L15-V52 WeakPolarHBondContact CD1-O 3.43Å
16G90.7Very high83.7Confident40 Ų4088.3 Ų88.341%0.41250%0.502SS..SBendtrans78.112.3-176.500000114.5N13N13-G16 PolarHBondContact O-N 3.23Å; N13-G16 PolarHBondContact OD1-N 3.48Å; N13-G16 VanDerWaalsContact OD1-N 3.14Å
17G92Very high85.8Confident8 Ų888.4 Ų88.48%0.08250%0.5CS..  trans-91.3138.5-179.200000113.1N13 L15 K51N13-G17 VanDerWaalsContact CG-O 3.26Å; N13-G17 PolarHBondContact N-O 3.16Å; N13-G17 PolarHBondContact ND2-O 3.47Å; N13-G17 PolarHBondContact OD1-N 2.85Å; L15-G17 VanDerWaalsContact C-N 3.33Å; G17-K51 WeakPolarHBondContact CA-O 3.25Å
18L91.3Very high87.9Confident129 Ų12986.6 Ų86.668%0.67549%0.488SS*.EExtended strand (participates in β ladder)trans-72.1133.1176.3-173.871.2000110.9R11R11-L18 WeakPolarHBondContact O-CA 3.24Å
19F92.5Very high89.9Confident73 Ų7384.2 Ų84.232%0.3246%0.458SS..EExtended strand (participates in β ladder)trans-145.3156.6171.872.7-78.3000111.1R11 N13 N21R11-F19 HydrophobicContact CB-CD1 4.25Å; R11-F19 HydrophobicContact CB-CE1 3.65Å; R11-F19 HydrophobicContact CB-CE2 4.26Å; R11-F19 HydrophobicContact CB-CZ 3.67Å; R11-F19 PolarHBondContact N-O 3.32Å; R11-F19 WeakPolarHBondContact O-CD1 3.09Å; R11-F19 WeakPolarHBondContact O-CE1 3.26Å; R11-F19 PolarHBondContact O-N 3.1Å; N13-F19 HydrophobicContact CB-CD1 3.84Å; N13-F19 HydrophobicContact CB-CE1 3.77Å; F19-N21 VanDerWaalsContact CE2-OD1 3.29Å; F19-N21 WeakPolarHBondContact CE2-OD1 3.46Å
20I89.7Confident91Very high40 Ų4078.9 Ų78.921%0.20543%0.432CS..EExtended strand (participates in β ladder)trans-115.2123.4175.4-59.4159.7000107.9I6 Q9 G22 R23I6-I20 HydrophobicContact CB-CD1 4.47Å; I6-I20 HydrophobicContact CD1-CD1 4.4Å; I6-I20 HydrophobicContact CG2-CD1 3.72Å; Q9-I20 HydrophobicContact CB-CG2 4.44Å; I20-G22 PolarHBondContact O-N 3.36Å; I20-R23 HydrophobicContact CB-CB 4.13Å; I20-R23 HydrophobicContact CB-CG 4.42Å; I20-R23 HydrophobicContact CG2-CB 4.12Å; I20-R23 HydrophobicContact CG2-CG 3.87Å; I20-R23 PolarHBondContact O-N 3.05Å
21N86.8Confident91.8Very high100 Ų10080.4 Ų80.454%0.53543%0.431SS..THydrogen-bonded Turntrans-57.3133.3178.3-81.5-38000111R11 F19 R23R11-N21 VanDerWaalsContact CD-ND2 3.29Å; R11-N21 WeakPolarHBondContact CD-ND2 3.36Å; F19-N21 VanDerWaalsContact CE2-OD1 3.29Å; F19-N21 WeakPolarHBondContact CE2-OD1 3.46Å; N21-R23 PolarHBondContact O-N 3.31Å
22G84.5Confident92.3Very high91 Ų9180.9 Ų80.994%0.93843%0.433SS*.THydrogen-bonded Turntrans78-10.5177.100000115.2I20I20-G22 PolarHBondContact O-N 3.36Å
23R89Confident92.6Very high141 Ų14174.7 Ų74.753%0.53240%0.402SS..SBendtrans-98.8145176.1-65-164.1177.3-173.6-1.7111.5I20 N21I20-R23 HydrophobicContact CB-CB 4.13Å; I20-R23 HydrophobicContact CB-CG 4.42Å; I20-R23 HydrophobicContact CG2-CB 4.12Å; I20-R23 HydrophobicContact CG2-CG 3.87Å; I20-R23 PolarHBondContact O-N 3.05Å; N21-R23 PolarHBondContact O-N 3.31Å
24P93.2Very high92.8Very high88 Ų8873.2 Ų73.257%0.57139%0.394SS*.PPolyproline II helixtrans-65151.6173.528.4-34000111A72P24-A72 HydrophobicContact CB-CB 3.32Å; P24-A72 HydrophobicContact CG-CB 3.97Å
25L93Very high93Very high30 Ų3067.8 Ų67.816%0.15737%0.368CS..PPolyproline II helixtrans-57.3138.8173-169.270.4000109.7V29 R30 I33 V52 I60L25-V29 HydrophobicContact CD1-CB 4.45Å; L25-V29 HydrophobicContact CD1-CG1 4.27Å; L25-V29 HydrophobicContact CD2-CB 3.89Å; L25-V29 HydrophobicContact CD2-CG1 3.57Å; L25-V29 HydrophobicContact CG-CB 3.9Å; L25-V29 HydrophobicContact CG-CG1 3.98Å; L25-R30 HydrophobicContact CB-CG 4.1Å; L25-R30 HydrophobicContact CD2-CG 4.24Å; L25-R30 HydrophobicContact CG-CG 4.43Å; L25-R30 WeakPolarHBondContact O-CD 3.43Å; L25-I33 HydrophobicContact CD2-CD1 3.72Å; L25-V52 HydrophobicContact CD1-CG2 4.12Å; L25-V52 HydrophobicContact CD2-CG1 4.09Å; L25-V52 HydrophobicContact CD2-CG2 4Å; L25-I60 HydrophobicContact CD2-CD1 3.9Å
26P93.3Very high93.2Very high65 Ų6565 Ų6542%0.42235%0.354SS..PPolyproline II helixtrans-53.3142.9-178.5-26.934.4000112.6H28 V29 R30P26-H28 VanDerWaalsContact C-N 3.27Å; P26-H28 WeakPolarHBondContact CB-CE1 3.36Å; P26-H28 PolarHBondContact O-N 3.35Å; P26-V29 HydrophobicContact CB-CG2 4.18Å; P26-V29 HydrophobicContact CG-CG2 4.43Å; P26-V29 PolarHBondContact O-N 3.01Å; P26-R30 PolarHBondContact O-N 3.18Å; P26-R30 VanDerWaalsContact O-N 3.14Å
27Q93.7Very high93.5Very high91 Ų9164.6 Ų64.643%0.42535%0.346SS..Hα-helixtrans-56.6-40.7-172.7-174.665.44.900112.6V29 R30 L31Q27-V29 VanDerWaalsContact C-N 3.31Å; Q27-V29 PolarHBondContact O-N 3.2Å; Q27-R30 WeakPolarHBondContact O-CB 3.43Å; Q27-R30 PolarHBondContact O-N 2.95Å; Q27-R30 VanDerWaalsContact O-N 3.17Å; Q27-L31 HydrophobicContact CG-CD1 4.27Å; Q27-L31 WeakPolarHBondContact O-CG 3.27Å; Q27-L31 PolarHBondContact O-N 2.95Å
28H94.8Very high93.6Very high134 Ų13470.1 Ų70.162%0.6237%0.37SS*.Hα-helixtrans-61.6-35.8177.765.8-94.6000112.8P26 R32P26-H28 VanDerWaalsContact C-N 3.27Å; P26-H28 WeakPolarHBondContact CB-CE1 3.36Å; P26-H28 PolarHBondContact O-N 3.35Å; H28-R32 WeakPolarHBondContact O-CB 3.34Å; H28-R32 PolarHBondContact O-N 3.35Å
29V95.9Very high93.8Very high27 Ų2769.7 Ų69.716%0.16437%0.372CS..Hα-helixtrans-71.8-38.4176.1-170.80000110.6L25 P26 Q27 R32 I33 L50 V52L25-V29 HydrophobicContact CD1-CB 4.45Å; L25-V29 HydrophobicContact CD1-CG1 4.27Å; L25-V29 HydrophobicContact CD2-CB 3.89Å; L25-V29 HydrophobicContact CD2-CG1 3.57Å; L25-V29 HydrophobicContact CG-CB 3.9Å; L25-V29 HydrophobicContact CG-CG1 3.98Å; P26-V29 HydrophobicContact CB-CG2 4.18Å; P26-V29 HydrophobicContact CG-CG2 4.43Å; P26-V29 PolarHBondContact O-N 3.01Å; Q27-V29 VanDerWaalsContact C-N 3.31Å; Q27-V29 PolarHBondContact O-N 3.2Å; V29-R32 PolarHBondContact O-N 3.37Å; V29-I33 HydrophobicContact CG1-CD1 4.43Å; V29-I33 WeakPolarHBondContact O-CG1 3.35Å; V29-I33 PolarHBondContact O-N 3.46Å; V29-L50 HydrophobicContact CG1-CD1 4.4Å; V29-V52 HydrophobicContact CG1-CG2 3.9Å
30R97.3Very high93.8Very high18 Ų1869 Ų697%0.06839%0.386CS..Hα-helixtrans-62.3-43.5175.6-62.2173.461.283.76111.4L25 P26 Q27 I33 I34 I60 I70 A71L25-R30 HydrophobicContact CB-CG 4.1Å; L25-R30 HydrophobicContact CD2-CG 4.24Å; L25-R30 HydrophobicContact CG-CG 4.43Å; L25-R30 WeakPolarHBondContact O-CD 3.43Å; P26-R30 PolarHBondContact O-N 3.18Å; P26-R30 VanDerWaalsContact O-N 3.14Å; Q27-R30 WeakPolarHBondContact O-CB 3.43Å; Q27-R30 PolarHBondContact O-N 2.95Å; Q27-R30 VanDerWaalsContact O-N 3.17Å; R30-I33 PolarHBondContact O-N 2.86Å; R30-I34 PolarHBondContact O-N 3.22Å; R30-I60 HydrophobicContact CG-CD1 4Å; R30-I70 HydrophobicContact CB-CG2 3.94Å; R30-I70 PolarHBondContact NE-O 2.74Å; R30-I70 PolarHBondContact NH2-O 2.97Å; R30-A71 PolarHBondContact NH2-O 2.99Å; R30-A71 VanDerWaalsContact NH2-O 3.16Å
31L96.3Very high94Very high67 Ų6770 Ų7035%0.35139%0.39SS..Hα-helixtrans-58.6-47.3172.2-74.5165000111Q27 I33 I34 Q35 I70Q27-L31 HydrophobicContact CG-CD1 4.27Å; Q27-L31 WeakPolarHBondContact O-CG 3.27Å; Q27-L31 PolarHBondContact O-N 2.95Å; L31-I33 VanDerWaalsContact C-N 3.33Å; L31-I33 PolarHBondContact O-N 2.97Å; L31-I34 PolarHBondContact O-N 3.1Å; L31-I34 VanDerWaalsContact O-N 3.14Å; L31-Q35 WeakPolarHBondContact O-CG 3.29Å; L31-Q35 PolarHBondContact O-N 2.96Å; L31-I70 HydrophobicContact CD2-CD1 3.38Å; L31-I70 HydrophobicContact CD2-CG2 4.03Å; L31-I70 HydrophobicContact CG-CG2 4.12Å
32R96.9Very high94.3Very high117 Ų11772.7 Ų72.744%0.44239%0.393SS..Hα-helixtrans-62-39.3-180-169.358.7176.8168.60.6112.6H28 V29 I34 Q35 L36 L50H28-R32 WeakPolarHBondContact O-CB 3.34Å; H28-R32 PolarHBondContact O-N 3.35Å; V29-R32 PolarHBondContact O-N 3.37Å; R32-I34 VanDerWaalsContact C-N 3.3Å; R32-I34 PolarHBondContact O-N 3.41Å; R32-Q35 PolarHBondContact O-N 3.1Å; R32-L36 HydrophobicContact CG-CD1 3.93Å; R32-L36 HydrophobicContact CG-CG 4.35Å; R32-L36 WeakPolarHBondContact O-CB 3.33Å; R32-L36 WeakPolarHBondContact O-CD1 3.23Å; R32-L36 WeakPolarHBondContact O-CG 3.19Å; R32-L36 PolarHBondContact O-N 2.84Å; R32-L50 HydrophobicContact CB-CD1 4.28Å; R32-L50 HydrophobicContact CG-CD1 4.09Å; R32-L50 HydrophobicContact CG-CD2 3.75Å
33I97.5Very high94.8Very high0 Ų068.9 Ų68.90%035%0.352CS..Hα-helixtrans-56.6-45.7174.6-73.1165.5000111.1L25 V29 R30 L31 A37 I46 L50 V52 V57 I60 L61L25-I33 HydrophobicContact CD2-CD1 3.72Å; V29-I33 HydrophobicContact CG1-CD1 4.43Å; V29-I33 WeakPolarHBondContact O-CG1 3.35Å; V29-I33 PolarHBondContact O-N 3.46Å; R30-I33 PolarHBondContact O-N 2.86Å; L31-I33 VanDerWaalsContact C-N 3.33Å; L31-I33 PolarHBondContact O-N 2.97Å; I33-A37 WeakPolarHBondContact O-CB 3.15Å; I33-A37 PolarHBondContact O-N 3.46Å; I33-A37 VanDerWaalsContact O-N 3.13Å; I33-I46 HydrophobicContact CB-CG2 4.41Å; I33-I46 HydrophobicContact CG1-CG2 4.08Å; I33-I46 HydrophobicContact CG2-CG2 4.37Å; I33-L50 HydrophobicContact CB-CD1 4.41Å; I33-L50 HydrophobicContact CD1-CD1 4.5Å; I33-L50 HydrophobicContact CG1-CD1 3.45Å; I33-L50 VanDerWaalsContact CG1-CD1 3.45Å; I33-V52 HydrophobicContact CD1-CG1 4.35Å; I33-V57 HydrophobicContact CD1-CG2 4.33Å; I33-V57 HydrophobicContact CG2-CG1 3.94Å; I33-I60 HydrophobicContact CD1-CD1 3.54Å; I33-I60 HydrophobicContact CG2-CB 4.43Å; I33-I60 HydrophobicContact CG2-CG2 4.07Å; I33-L61 HydrophobicContact CG2-CD2 3.9Å; I33-L61 HydrophobicContact CG2-CG 4.1Å
34I96.1Very high95.1Very high5 Ų564.2 Ų64.23%0.02634%0.341CS..Hα-helixtrans-69.1-46.8-177.9-66.8164.2000110.7R30 L31 R32 L36 A37 Q38 I60 Y64 I70R30-I34 PolarHBondContact O-N 3.22Å; L31-I34 PolarHBondContact O-N 3.1Å; L31-I34 VanDerWaalsContact O-N 3.14Å; R32-I34 VanDerWaalsContact C-N 3.3Å; R32-I34 PolarHBondContact O-N 3.41Å; I34-L36 VanDerWaalsContact C-N 3.32Å; I34-L36 PolarHBondContact O-N 3.24Å; I34-A37 PolarHBondContact O-N 2.89Å; I34-A37 VanDerWaalsContact O-N 3.14Å; I34-Q38 HydrophobicContact CG2-CG 4.33Å; I34-Q38 WeakPolarHBondContact O-CG 3.47Å; I34-Q38 PolarHBondContact O-N 3.28Å; I34-I60 HydrophobicContact CD1-CG2 4.46Å; I34-I60 HydrophobicContact CG1-CG2 4.32Å; I34-Y64 HydrophobicContact CD1-CD1 4.46Å; I34-Y64 HydrophobicContact CD1-CD2 3.57Å; I34-Y64 HydrophobicContact CD1-CE2 4.03Å; I34-Y64 HydrophobicContact CD1-CG 3.81Å; I34-Y64 HydrophobicContact CG1-CD1 4.31Å; I34-Y64 HydrophobicContact CG1-CD2 4.28Å; I34-Y64 HydrophobicContact CG1-CG 4.05Å; I34-Y64 HydrophobicContact CG2-CD1 3.88Å; I34-Y64 HydrophobicContact CG2-CD2 4.38Å; I34-Y64 HydrophobicContact CG2-CE1 3.52Å; I34-Y64 HydrophobicContact CG2-CE2 4.06Å; I34-Y64 HydrophobicContact CG2-CG 4.29Å; I34-I70 HydrophobicContact CD1-CB 4.04Å; I34-I70 HydrophobicContact CD1-CD1 3.75Å; I34-I70 HydrophobicContact CD1-CG1 3.53Å; I34-I70 HydrophobicContact CD1-CG2 3.7Å
35Q96.7Very high95.3Very high91 Ų9161.9 Ų61.943%0.42533%0.327SS..Hα-helixtrans-55.2-47.5177.4-73174.4-9.900111.9L31 R32 A37 Q38 V39L31-Q35 WeakPolarHBondContact O-CG 3.29Å; L31-Q35 PolarHBondContact O-N 2.96Å; R32-Q35 PolarHBondContact O-N 3.1Å; Q35-A37 VanDerWaalsContact C-N 3.32Å; Q35-A37 PolarHBondContact O-N 2.94Å; Q35-Q38 WeakPolarHBondContact O-CB 3.39Å; Q35-Q38 PolarHBondContact O-N 3.28Å; Q35-V39 WeakPolarHBondContact O-CG2 3.17Å; Q35-V39 PolarHBondContact O-N 2.84Å
36L96.4Very high95.5Very high11 Ų1160.5 Ų60.56%0.05832%0.319CS..Hα-helixtrans-66.6-35.8-179.6-64.9167.3000112.2R32 I34 V39 G40 M41 I46 M49 L50R32-L36 HydrophobicContact CG-CD1 3.93Å; R32-L36 HydrophobicContact CG-CG 4.35Å; R32-L36 WeakPolarHBondContact O-CB 3.33Å; R32-L36 WeakPolarHBondContact O-CD1 3.23Å; R32-L36 WeakPolarHBondContact O-CG 3.19Å; R32-L36 PolarHBondContact O-N 2.84Å; I34-L36 VanDerWaalsContact C-N 3.32Å; I34-L36 PolarHBondContact O-N 3.24Å; L36-V39 PolarHBondContact O-N 3.14Å; L36-G40 PolarHBondContact O-N 2.91Å; L36-M41 HydrophobicContact CB-CB 4.45Å; L36-M41 HydrophobicContact CB-SD 4.11Å; L36-M41 HydrophobicContact CD2-SD 3.74Å; L36-M41 HydrophobicContact CG-SD 4.38Å; L36-M41 WeakPolarHBondContact O-CB 3.47Å; L36-M41 WeakPolarHBondContact O-CG 3.43Å; L36-M41 PolarHBondContact O-N 3.18Å; L36-I46 HydrophobicContact CB-CD1 3.92Å; L36-I46 HydrophobicContact CB-CG1 3.9Å; L36-I46 HydrophobicContact CD1-CG2 4.12Å; L36-M49 HydrophobicContact CD1-CE 3.19Å; L36-M49 HydrophobicContact CD2-CE 3.62Å; L36-M49 HydrophobicContact CG-CE 3.95Å; L36-L50 HydrophobicContact CD1-CD1 3.87Å; L36-L50 HydrophobicContact CD1-CD2 4.12Å; L36-L50 HydrophobicContact CD1-CG 4.02Å
37A96.3Very high95.7Very high30 Ų3057.7 Ų57.725%0.24830%0.301CS..Hα-helixtrans-67.4-38.1174.500000111.9I33 I34 Q35 V39 G40 I46 L61I33-A37 WeakPolarHBondContact O-CB 3.15Å; I33-A37 PolarHBondContact O-N 3.46Å; I33-A37 VanDerWaalsContact O-N 3.13Å; I34-A37 PolarHBondContact O-N 2.89Å; I34-A37 VanDerWaalsContact O-N 3.14Å; Q35-A37 VanDerWaalsContact C-N 3.32Å; Q35-A37 PolarHBondContact O-N 2.94Å; A37-V39 VanDerWaalsContact C-N 3.31Å; A37-V39 PolarHBondContact O-N 2.94Å; A37-G40 WeakPolarHBondContact O-CA 3.35Å; A37-G40 PolarHBondContact O-N 2.81Å; A37-I46 HydrophobicContact CB-CD1 3.83Å; A37-L61 HydrophobicContact CB-CD1 4.18Å; A37-L61 HydrophobicContact CB-CD2 3.46Å; A37-L61 VanDerWaalsContact CB-CD2 3.46Å; A37-L61 HydrophobicContact CB-CG 4.49Å
38Q94.1Very high95.9Very high125 Ų12560.4 Ų60.458%0.58431%0.308SS*.Hα-helixtrans-64.8-33.6174.7-72.9171.1-26.400112.3I34 Q35 G40 Y64I34-Q38 HydrophobicContact CG2-CG 4.33Å; I34-Q38 WeakPolarHBondContact O-CG 3.47Å; I34-Q38 PolarHBondContact O-N 3.28Å; Q35-Q38 WeakPolarHBondContact O-CB 3.39Å; Q35-Q38 PolarHBondContact O-N 3.28Å; Q38-G40 PolarHBondContact O-N 2.73Å; Q38-Y64 PolarHBondContact NE2-OH 3.39Å
39V95.3Very high95.9Very high120 Ų12058.6 Ų58.673%0.72730%0.301SS*.THydrogen-bonded Turntrans-69.9-2.7170.51770000112.2Q35 L36 A37Q35-V39 WeakPolarHBondContact O-CG2 3.17Å; Q35-V39 PolarHBondContact O-N 2.84Å; L36-V39 PolarHBondContact O-N 3.14Å; A37-V39 VanDerWaalsContact C-N 3.31Å; A37-V39 PolarHBondContact O-N 2.94Å
40G93.1Very high95.9Very high59 Ų5959.4 Ų59.461%0.60830%0.304SS*.THydrogen-bonded Turntrans87.412.2177.800000114.2L36 A37 Q38 R42L36-G40 PolarHBondContact O-N 2.91Å; A37-G40 WeakPolarHBondContact O-CA 3.35Å; A37-G40 PolarHBondContact O-N 2.81Å; Q38-G40 PolarHBondContact O-N 2.73Å; G40-R42 PolarHBondContact O-N 2.88Å
41M94.2Very high95.9Very high59 Ų5963.7 Ų63.729%0.29132%0.323SS..  trans-67.3136.1176.6-67.8-164.864.500111.9L36 I46 M49L36-M41 HydrophobicContact CB-CB 4.45Å; L36-M41 HydrophobicContact CB-SD 4.11Å; L36-M41 HydrophobicContact CD2-SD 3.74Å; L36-M41 HydrophobicContact CG-SD 4.38Å; L36-M41 WeakPolarHBondContact O-CB 3.47Å; L36-M41 WeakPolarHBondContact O-CG 3.43Å; L36-M41 PolarHBondContact O-N 3.18Å; M41-I46 HydrophobicContact CB-CD1 4.15Å; M41-I46 HydrophobicContact CB-CG1 3.82Å; M41-M49 HydrophobicContact CE-CE 3.66Å; M41-M49 HydrophobicContact CE-SD 4.18Å; M41-M49 HydrophobicContact SD-CE 3.63Å
42R93.2Very high95.9Very high157 Ų15761 Ų6159%0.59231%0.309SS*.  trans-62.1134.9173.2-67.7-176.3175.594.1-6.3110G40 S44 S45 I46G40-R42 PolarHBondContact O-N 2.88Å; R42-S44 PolarHBondContact O-N 2.8Å; R42-S44 VanDerWaalsContact O-N 3.14Å; R42-S45 WeakPolarHBondContact O-CA 3.38Å; R42-S45 VanDerWaalsContact O-CB 3.3Å; R42-S45 WeakPolarHBondContact O-CB 3.29Å; R42-S45 PolarHBondContact O-N 2.71Å; R42-I46 PolarHBondContact O-N 2.98Å
43P94.4Very high95.9Very high12 Ų1258.4 Ų58.48%0.07831%0.309CS..Hα-helixtrans-63.7-23.2-178.1-35.746.6000115.6S45 I46 S47 V57 L61 Y141P43-S45 VanDerWaalsContact C-N 3.32Å; P43-I46 PolarHBondContact O-N 2.85Å; P43-S47 VanDerWaalsContact O-CB 3.25Å; P43-S47 WeakPolarHBondContact O-CB 3.2Å; P43-S47 PolarHBondContact O-N 3.13Å; P43-V57 HydrophobicContact CB-CG1 3.86Å; P43-L61 HydrophobicContact CB-CD1 3.96Å; P43-L61 HydrophobicContact CG-CD1 3.48Å; P43-L61 VanDerWaalsContact CG-CD1 3.48Å; P43-Y141 HydrophobicContact CB-CE1 4.21Å; P43-Y141 WeakPolarHBondContact CB-OH 3.36Å; P43-Y141 HydrophobicContact CG-CE1 3.42Å; P43-Y141 VanDerWaalsContact CG-CE1 3.42Å; P43-Y141 WeakPolarHBondContact CG-OH 3.47Å
44S96.6Very high95.8Very high42 Ų4262.6 Ų62.629%0.29433%0.329SS..Hα-helixtrans-63.9-39168.565.70000111.8R42 S47 R48R42-S44 PolarHBondContact O-N 2.8Å; R42-S44 VanDerWaalsContact O-N 3.14Å; S44-S47 WeakPolarHBondContact O-CB 3.39Å; S44-R48 VanDerWaalsContact O-CZ 3.28Å; S44-R48 PolarHBondContact O-N 2.99Å; S44-R48 VanDerWaalsContact O-N 3.16Å; S44-R48 PolarHBondContact O-NH2 3.43Å; S44-R48 PolarHBondContact OG-NH2 3.05Å
45S96.8Very high95.8Very high40 Ų4064 Ų6428%0.2835%0.345SS..Hα-helixtrans-70.2-42.1174.4-580000111.6R42 P43 S47 R48 M49R42-S45 WeakPolarHBondContact O-CA 3.38Å; R42-S45 VanDerWaalsContact O-CB 3.3Å; R42-S45 WeakPolarHBondContact O-CB 3.29Å; R42-S45 PolarHBondContact O-N 2.71Å; P43-S45 VanDerWaalsContact C-N 3.32Å; S45-S47 VanDerWaalsContact C-N 3.29Å; S45-S47 PolarHBondContact O-N 3.13Å; S45-R48 PolarHBondContact O-N 3.26Å; S45-R48 PolarHBondContact OG-NH2 2.96Å; S45-M49 VanDerWaalsContact O-CB 3.26Å; S45-M49 WeakPolarHBondContact O-CB 3.38Å; S45-M49 PolarHBondContact O-N 3.26Å
46I96.9Very high95.7Very high0 Ų061.4 Ų61.40%034%0.336CS..Hα-helixtrans-58-44.5173.7-59.3174.9000110.5I33 L36 A37 M41 R42 P43 M49 L50 V57I33-I46 HydrophobicContact CB-CG2 4.41Å; I33-I46 HydrophobicContact CG1-CG2 4.08Å; I33-I46 HydrophobicContact CG2-CG2 4.37Å; L36-I46 HydrophobicContact CB-CD1 3.92Å; L36-I46 HydrophobicContact CB-CG1 3.9Å; L36-I46 HydrophobicContact CD1-CG2 4.12Å; A37-I46 HydrophobicContact CB-CD1 3.83Å; M41-I46 HydrophobicContact CB-CD1 4.15Å; M41-I46 HydrophobicContact CB-CG1 3.82Å; R42-I46 PolarHBondContact O-N 2.98Å; P43-I46 PolarHBondContact O-N 2.85Å; I46-M49 PolarHBondContact O-N 3Å; I46-L50 HydrophobicContact CG2-CD1 3.81Å; I46-L50 HydrophobicContact CG2-CG 4.32Å; I46-L50 WeakPolarHBondContact O-CB 3.43Å; I46-L50 PolarHBondContact O-N 3.28Å; I46-V57 HydrophobicContact CB-CG1 4.32Å; I46-V57 HydrophobicContact CG2-CG1 4.12Å; I46-V57 HydrophobicContact CG2-CG2 4.48Å
47S97.7Very high95.7Very high7 Ų760.9 Ų60.95%0.04933%0.333CS..Hα-helixtrans-58.2-50.4178.7174.40000112.2L15 P43 S44 S45 K51 V52 H54L15-S47 WeakPolarHBondContact CD1-OG 3.4Å; P43-S47 VanDerWaalsContact O-CB 3.25Å; P43-S47 WeakPolarHBondContact O-CB 3.2Å; P43-S47 PolarHBondContact O-N 3.13Å; S44-S47 WeakPolarHBondContact O-CB 3.39Å; S45-S47 VanDerWaalsContact C-N 3.29Å; S45-S47 PolarHBondContact O-N 3.13Å; S47-K51 CarbonylContact O-C 3.55Å; S47-K51 VanDerWaalsContact O-CA 3.32Å; S47-K51 WeakPolarHBondContact O-CA 3.16Å; S47-K51 PolarHBondContact O-N 2.88Å; S47-V52 CarbonylContact C-O 3.57Å; S47-V52 VanDerWaalsContact CA-O 3.28Å; S47-V52 WeakPolarHBondContact CA-O 3.34Å; S47-V52 VanDerWaalsContact CB-O 3.31Å; S47-V52 WeakPolarHBondContact CB-O 3.39Å; S47-V52 PolarHBondContact O-N 2.83Å; S47-V52 PolarHBondContact OG-O 3.12Å; S47-H54 PolarHBondContact OG-N 3.26Å; S47-H54 VanDerWaalsContact OG-N 3.15Å
48R96.7Very high95.7Very high148 Ų14861.5 Ų61.556%0.55834%0.335SS*.Hα-helixtrans-65.5-43.1178-72-178.3-68.4-91.2-3112.1S44 S45 K51S44-R48 VanDerWaalsContact O-CZ 3.28Å; S44-R48 PolarHBondContact O-N 2.99Å; S44-R48 VanDerWaalsContact O-N 3.16Å; S44-R48 PolarHBondContact O-NH2 3.43Å; S44-R48 PolarHBondContact OG-NH2 3.05Å; S45-R48 PolarHBondContact O-N 3.26Å; S45-R48 PolarHBondContact OG-NH2 2.96Å; R48-K51 PolarHBondContact O-N 3.36Å
49M96.1Very high95.7Very high96 Ų9662.7 Ų62.747%0.47334%0.339SS..Hα-helixtrans-68.1-44.9-176.5-175170.661.600112.8L36 M41 S45 I46 K51L36-M49 HydrophobicContact CD1-CE 3.19Å; L36-M49 HydrophobicContact CD2-CE 3.62Å; L36-M49 HydrophobicContact CG-CE 3.95Å; M41-M49 HydrophobicContact CE-CE 3.66Å; M41-M49 HydrophobicContact CE-SD 4.18Å; M41-M49 HydrophobicContact SD-CE 3.63Å; S45-M49 VanDerWaalsContact O-CB 3.26Å; S45-M49 WeakPolarHBondContact O-CB 3.38Å; S45-M49 PolarHBondContact O-N 3.26Å; I46-M49 PolarHBondContact O-N 3Å; M49-K51 VanDerWaalsContact C-N 3.27Å
50L96.4Very high95.7Very high44 Ų4457.2 Ų57.223%0.2331%0.305CS..THydrogen-bonded Turntrans-85.7-1.2178.2-61.1-177.2000113V29 R32 I33 L36 I46 V52V29-L50 HydrophobicContact CG1-CD1 4.4Å; R32-L50 HydrophobicContact CB-CD1 4.28Å; R32-L50 HydrophobicContact CG-CD1 4.09Å; R32-L50 HydrophobicContact CG-CD2 3.75Å; I33-L50 HydrophobicContact CB-CD1 4.41Å; I33-L50 HydrophobicContact CD1-CD1 4.5Å; I33-L50 HydrophobicContact CG1-CD1 3.45Å; I33-L50 VanDerWaalsContact CG1-CD1 3.45Å; L36-L50 HydrophobicContact CD1-CD1 3.87Å; L36-L50 HydrophobicContact CD1-CD2 4.12Å; L36-L50 HydrophobicContact CD1-CG 4.02Å; I46-L50 HydrophobicContact CG2-CD1 3.81Å; I46-L50 HydrophobicContact CG2-CG 4.32Å; I46-L50 WeakPolarHBondContact O-CB 3.43Å; I46-L50 PolarHBondContact O-N 3.28Å; L50-V52 HydrophobicContact CB-CG2 4.13Å; L50-V52 PolarHBondContact O-N 3.29Å
51K96.6Very high95.8Very high108 Ų10855.7 Ų55.747%0.4728%0.283SS..THydrogen-bonded Turntrans52.635.5-173.8-54-178.9174.31790112.6N13 L15 G17 S47 R48 M49N13-K51 PolarHBondContact ND2-O 2.89Å; L15-K51 HydrophobicContact CB-CB 4.23Å; L15-K51 WeakPolarHBondContact O-CB 3.45Å; L15-K51 WeakPolarHBondContact O-CD 3.41Å; L15-K51 VanDerWaalsContact O-CG 3.28Å; L15-K51 WeakPolarHBondContact O-CG 3.28Å; G17-K51 WeakPolarHBondContact CA-O 3.25Å; S47-K51 CarbonylContact O-C 3.55Å; S47-K51 VanDerWaalsContact O-CA 3.32Å; S47-K51 WeakPolarHBondContact O-CA 3.16Å; S47-K51 PolarHBondContact O-N 2.88Å; R48-K51 PolarHBondContact O-N 3.36Å; M49-K51 VanDerWaalsContact C-N 3.27Å
52V95.7Very high95.7Very high10 Ų1053.3 Ų53.36%0.06127%0.274CS..  trans-106.7138.7177.9173.20000108.6L15 L25 V29 I33 S47 L50 H54 C56 V57L15-V52 WeakPolarHBondContact CD1-O 3.43Å; L25-V52 HydrophobicContact CD1-CG2 4.12Å; L25-V52 HydrophobicContact CD2-CG1 4.09Å; L25-V52 HydrophobicContact CD2-CG2 4Å; V29-V52 HydrophobicContact CG1-CG2 3.9Å; I33-V52 HydrophobicContact CD1-CG1 4.35Å; S47-V52 CarbonylContact C-O 3.57Å; S47-V52 VanDerWaalsContact CA-O 3.28Å; S47-V52 WeakPolarHBondContact CA-O 3.34Å; S47-V52 VanDerWaalsContact CB-O 3.31Å; S47-V52 WeakPolarHBondContact CB-O 3.39Å; S47-V52 PolarHBondContact O-N 2.83Å; S47-V52 PolarHBondContact OG-O 3.12Å; L50-V52 HydrophobicContact CB-CG2 4.13Å; L50-V52 PolarHBondContact O-N 3.29Å; V52-H54 PolarHBondContact O-N 3.46Å; V52-C56 HydrophobicContact CG1-CB 3.66Å; V52-V57 HydrophobicContact CB-CG2 4.21Å; V52-V57 HydrophobicContact CG1-CG2 3.94Å
53S96.6Very high95.7Very high63 Ų6350.7 Ų50.744%0.44126%0.264SS..  trans-57.9140-178.967.60000112.3G55 C56 V57S53-G55 PolarHBondContact O-N 3.12Å; S53-C56 WeakPolarHBondContact O-CA 3.48Å; S53-C56 WeakPolarHBondContact O-CB 3.46Å; S53-C56 PolarHBondContact O-N 2.91Å; S53-C56 WeakPolarHBondContact OG-CB 3.37Å; S53-C56 PolarHBondContact OG-N 2.91Å; S53-V57 PolarHBondContact O-N 3.39Å; S53-V57 VanDerWaalsContact O-N 3.1Å
54H96.3Very high95.7Very high88 Ų8853.5 Ų53.541%0.40727%0.273SS..Hα-helixtrans-51.8-43.2-180177.8-97.2000112.5S47 V52 C56 V57 S58S47-H54 PolarHBondContact OG-N 3.26Å; S47-H54 VanDerWaalsContact OG-N 3.15Å; V52-H54 PolarHBondContact O-N 3.46Å; H54-C56 VanDerWaalsContact C-N 3.27Å; H54-C56 PolarHBondContact O-N 2.77Å; H54-V57 PolarHBondContact O-N 2.93Å; H54-S58 WeakPolarHBondContact O-CB 3.12Å; H54-S58 PolarHBondContact O-N 3Å
55G95.8Very high95.5Very high35 Ų3555 Ų5536%0.36129%0.289SS..Hα-helixtrans-64.9-26177.200000114.2S53 K59S53-G55 PolarHBondContact O-N 3.12Å; G55-K59 WeakPolarHBondContact O-CB 3.42Å; G55-K59 WeakPolarHBondContact O-CD 3.49Å; G55-K59 WeakPolarHBondContact O-CG 3.28Å; G55-K59 PolarHBondContact O-N 2.81Å
56C94.9Very high95.1Very high36 Ų3660.8 Ų60.824%0.24331%0.311CS..Hα-helixtrans-75-45.7172.1-173.70000110.9V52 S53 H54 S58 K59 I60V52-C56 HydrophobicContact CG1-CB 3.66Å; S53-C56 WeakPolarHBondContact O-CA 3.48Å; S53-C56 WeakPolarHBondContact O-CB 3.46Å; S53-C56 PolarHBondContact O-N 2.91Å; S53-C56 WeakPolarHBondContact OG-CB 3.37Å; S53-C56 PolarHBondContact OG-N 2.91Å; H54-C56 VanDerWaalsContact C-N 3.27Å; H54-C56 PolarHBondContact O-N 2.77Å; C56-S58 PolarHBondContact O-N 3.47Å; C56-K59 PolarHBondContact O-N 3.5Å; C56-I60 WeakPolarHBondContact O-CG1 3.39Å; C56-I60 PolarHBondContact O-N 3.3Å
57V96.9Very high94.8Very high0 Ų064.7 Ų64.70%034%0.335CS..Hα-helixtrans-56.9-51.3175.9179.80000110.6I33 P43 I46 V52 S53 H54 K59 I60 L61I33-V57 HydrophobicContact CD1-CG2 4.33Å; I33-V57 HydrophobicContact CG2-CG1 3.94Å; P43-V57 HydrophobicContact CB-CG1 3.86Å; I46-V57 HydrophobicContact CB-CG1 4.32Å; I46-V57 HydrophobicContact CG2-CG1 4.12Å; I46-V57 HydrophobicContact CG2-CG2 4.48Å; V52-V57 HydrophobicContact CB-CG2 4.21Å; V52-V57 HydrophobicContact CG1-CG2 3.94Å; S53-V57 PolarHBondContact O-N 3.39Å; S53-V57 VanDerWaalsContact O-N 3.1Å; H54-V57 PolarHBondContact O-N 2.93Å; V57-K59 VanDerWaalsContact C-N 3.34Å; V57-K59 PolarHBondContact O-N 3.38Å; V57-I60 PolarHBondContact O-N 2.94Å; V57-I60 VanDerWaalsContact O-N 3.13Å; V57-L61 HydrophobicContact CG1-CD1 3.87Å; V57-L61 HydrophobicContact CG1-CG 4.34Å; V57-L61 WeakPolarHBondContact O-CG 3.32Å; V57-L61 PolarHBondContact O-N 3.05Å
58S95.8Very high94.4Very high42 Ų4266.6 Ų66.629%0.29436%0.356SS..Hα-helixtrans-57.6-42.4177.8170.10000112.6H54 C56 I60 L61 G62H54-S58 WeakPolarHBondContact O-CB 3.12Å; H54-S58 PolarHBondContact O-N 3Å; C56-S58 PolarHBondContact O-N 3.47Å; S58-I60 PolarHBondContact O-N 3.36Å; S58-L61 PolarHBondContact O-N 2.95Å; S58-G62 PolarHBondContact O-N 3.48Å
59K94.1Very high94.1Very high150 Ų15062.1 Ų62.165%0.65235%0.347SS*.Hα-helixtrans-64.5-37.7176.1-77.7171-171.9167.30113.3G55 C56 V57 R63G55-K59 WeakPolarHBondContact O-CB 3.42Å; G55-K59 WeakPolarHBondContact O-CD 3.49Å; G55-K59 WeakPolarHBondContact O-CG 3.28Å; G55-K59 PolarHBondContact O-N 2.81Å; C56-K59 PolarHBondContact O-N 3.5Å; V57-K59 VanDerWaalsContact C-N 3.34Å; V57-K59 PolarHBondContact O-N 3.38Å; K59-R63 VanDerWaalsContact O-CB 3.32Å; K59-R63 WeakPolarHBondContact O-CB 3.49Å; K59-R63 PolarHBondContact O-N 3.02Å; K59-R63 VanDerWaalsContact O-N 3.17Å
60I94.9Very high93.8Very high6 Ų659.4 Ų59.43%0.03133%0.334CS..Hα-helixtrans-69.5-46.5178.9-69.4167.1000109.7L25 R30 I33 I34 C56 V57 S58 R63 Y64L25-I60 HydrophobicContact CD2-CD1 3.9Å; R30-I60 HydrophobicContact CG-CD1 4Å; I33-I60 HydrophobicContact CD1-CD1 3.54Å; I33-I60 HydrophobicContact CG2-CB 4.43Å; I33-I60 HydrophobicContact CG2-CG2 4.07Å; I34-I60 HydrophobicContact CD1-CG2 4.46Å; I34-I60 HydrophobicContact CG1-CG2 4.32Å; C56-I60 WeakPolarHBondContact O-CG1 3.39Å; C56-I60 PolarHBondContact O-N 3.3Å; V57-I60 PolarHBondContact O-N 2.94Å; V57-I60 VanDerWaalsContact O-N 3.13Å; S58-I60 PolarHBondContact O-N 3.36Å; I60-R63 PolarHBondContact O-N 3.23Å; I60-Y64 WeakPolarHBondContact O-CB 3.2Å; I60-Y64 PolarHBondContact O-N 3.35Å
61L95.6Very high93.3Very high27 Ų2759.6 Ų59.614%0.14134%0.342CS..Hα-helixtrans-65.3-44.3179-65.2177.2000112.4I33 A37 P43 V57 S58 R63 Y64 A65I33-L61 HydrophobicContact CG2-CD2 3.9Å; I33-L61 HydrophobicContact CG2-CG 4.1Å; A37-L61 HydrophobicContact CB-CD1 4.18Å; A37-L61 HydrophobicContact CB-CD2 3.46Å; A37-L61 VanDerWaalsContact CB-CD2 3.46Å; A37-L61 HydrophobicContact CB-CG 4.49Å; P43-L61 HydrophobicContact CB-CD1 3.96Å; P43-L61 HydrophobicContact CG-CD1 3.48Å; P43-L61 VanDerWaalsContact CG-CD1 3.48Å; V57-L61 HydrophobicContact CG1-CD1 3.87Å; V57-L61 HydrophobicContact CG1-CG 4.34Å; V57-L61 WeakPolarHBondContact O-CG 3.32Å; V57-L61 PolarHBondContact O-N 3.05Å; S58-L61 PolarHBondContact O-N 2.95Å; L61-R63 PolarHBondContact O-N 3.32Å; L61-Y64 PolarHBondContact O-N 3.11Å; L61-A65 PolarHBondContact O-N 3.45Å
62G92.9Very high92.9Very high9 Ų956 Ų569%0.09333%0.333CS..Hα-helixtrans-59.8-47176.400000112S58 Y64 A65 E66S58-G62 PolarHBondContact O-N 3.48Å; G62-Y64 VanDerWaalsContact C-N 3.32Å; G62-Y64 PolarHBondContact O-N 3.14Å; G62-A65 PolarHBondContact O-N 3.27Å; G62-E66 WeakPolarHBondContact O-CG 3.32Å; G62-E66 PolarHBondContact O-N 3.48Å
63R91.7Very high92.1Very high101 Ų10157.2 Ų57.238%0.38135%0.347SS..Hα-helixtrans-61.8-40.4175.5-169.2-169.3-162.1122.214112.4K59 I60 L61 E66 T67 G73K59-R63 VanDerWaalsContact O-CB 3.32Å; K59-R63 WeakPolarHBondContact O-CB 3.49Å; K59-R63 PolarHBondContact O-N 3.02Å; K59-R63 VanDerWaalsContact O-N 3.17Å; I60-R63 PolarHBondContact O-N 3.23Å; L61-R63 PolarHBondContact O-N 3.32Å; R63-E66 PolarHBondContact O-N 3.04Å; R63-T67 WeakPolarHBondContact O-CB 3.21Å; R63-T67 PolarHBondContact O-N 3.42Å; R63-T67 PolarHBondContact O-OG1 2.97Å; R63-G73 VanDerWaalsContact CZ-CA 3.47Å
64Y94.3Very high90.6Very high72 Ų7262.5 Ų62.528%0.28237%0.365SS..Hα-helixtrans-66.3-39.9179.2-178.3-106000111.3I34 Q38 I60 L61 G62 E66 G68 I70I34-Y64 HydrophobicContact CD1-CD1 4.46Å; I34-Y64 HydrophobicContact CD1-CD2 3.57Å; I34-Y64 HydrophobicContact CD1-CE2 4.03Å; I34-Y64 HydrophobicContact CD1-CG 3.81Å; I34-Y64 HydrophobicContact CG1-CD1 4.31Å; I34-Y64 HydrophobicContact CG1-CD2 4.28Å; I34-Y64 HydrophobicContact CG1-CG 4.05Å; I34-Y64 HydrophobicContact CG2-CD1 3.88Å; I34-Y64 HydrophobicContact CG2-CD2 4.38Å; I34-Y64 HydrophobicContact CG2-CE1 3.52Å; I34-Y64 HydrophobicContact CG2-CE2 4.06Å; I34-Y64 HydrophobicContact CG2-CG 4.29Å; Q38-Y64 PolarHBondContact NE2-OH 3.39Å; I60-Y64 WeakPolarHBondContact O-CB 3.2Å; I60-Y64 PolarHBondContact O-N 3.35Å; L61-Y64 PolarHBondContact O-N 3.11Å; G62-Y64 VanDerWaalsContact C-N 3.32Å; G62-Y64 PolarHBondContact O-N 3.14Å; Y64-E66 VanDerWaalsContact C-N 3.34Å; Y64-E66 PolarHBondContact O-N 3.1Å; Y64-G68 WeakPolarHBondContact CD2-O 3.13Å; Y64-G68 VanDerWaalsContact CE2-O 3.26Å; Y64-G68 WeakPolarHBondContact CE2-O 3.46Å; Y64-G68 VanDerWaalsContact O-CA 3.22Å; Y64-G68 WeakPolarHBondContact O-CA 3.36Å; Y64-G68 PolarHBondContact O-N 3.41Å; Y64-I70 HydrophobicContact CD2-CG1 4.07Å; Y64-I70 HydrophobicContact CE2-CD1 4.31Å; Y64-I70 HydrophobicContact CE2-CG1 4.02Å
65A92.2Very high88.8Confident74 Ų7466.1 Ų66.161%0.61239%0.385SS*.Hα-helixtrans-63.9-37.3173.900000112.6L61 G62L61-A65 PolarHBondContact O-N 3.45Å; G62-A65 PolarHBondContact O-N 3.27Å
66E88.9Confident86.8Confident161 Ų16172.9 Ų72.975%0.75241%0.405SS*.Hα-helixtrans-77.6-37.6179.6-70.6166.9-162.900113.9G62 R63 Y64G62-E66 WeakPolarHBondContact O-CG 3.32Å; G62-E66 PolarHBondContact O-N 3.48Å; R63-E66 PolarHBondContact O-N 3.04Å; Y64-E66 VanDerWaalsContact C-N 3.34Å; Y64-E66 PolarHBondContact O-N 3.1Å
67T90.4Very high84.3Confident81 Ų8176.4 Ų76.450%0.49743%0.43SS..Hα-helixtrans-121.7-13.6-166.865.10000114.8R63 S69R63-T67 WeakPolarHBondContact O-CB 3.21Å; R63-T67 PolarHBondContact O-N 3.42Å; R63-T67 PolarHBondContact O-OG1 2.97Å; T67-S69 PolarHBondContact O-N 3.13Å; T67-S69 WeakPolarHBondContact OG1-CB 3.28Å; T67-S69 PolarHBondContact OG1-N 3.26Å; T67-S69 VanDerWaalsContact OG1-N 3.13Å
68G90Very high81.6Confident48 Ų4885 Ų8550%0.49546%0.462SS..  trans64.8-3-166.200000114.4Y64Y64-G68 WeakPolarHBondContact CD2-O 3.13Å; Y64-G68 VanDerWaalsContact CE2-O 3.26Å; Y64-G68 WeakPolarHBondContact CE2-O 3.46Å; Y64-G68 VanDerWaalsContact O-CA 3.22Å; Y64-G68 WeakPolarHBondContact O-CA 3.36Å; Y64-G68 PolarHBondContact O-N 3.41Å
69S89.8Confident79Confident54 Ų5488.2 Ų88.238%0.37848%0.482SS..  trans-90.3129.1-171.7-170.10000112.7T67 A71T67-S69 PolarHBondContact O-N 3.13Å; T67-S69 WeakPolarHBondContact OG1-CB 3.28Å; T67-S69 PolarHBondContact OG1-N 3.26Å; T67-S69 VanDerWaalsContact OG1-N 3.13Å; S69-A71 PolarHBondContact OG-N 3.23Å
70I89.9Confident76.4Confident38 Ų3885.8 Ų85.820%0.19549%0.49CS..  trans-87.5-19176.6-46.3-172.2000110.5R30 L31 I34 Y64R30-I70 HydrophobicContact CB-CG2 3.94Å; R30-I70 PolarHBondContact NE-O 2.74Å; R30-I70 PolarHBondContact NH2-O 2.97Å; L31-I70 HydrophobicContact CD2-CD1 3.38Å; L31-I70 HydrophobicContact CD2-CG2 4.03Å; L31-I70 HydrophobicContact CG-CG2 4.12Å; I34-I70 HydrophobicContact CD1-CB 4.04Å; I34-I70 HydrophobicContact CD1-CD1 3.75Å; I34-I70 HydrophobicContact CD1-CG1 3.53Å; I34-I70 HydrophobicContact CD1-CG2 3.7Å; Y64-I70 HydrophobicContact CD2-CG1 4.07Å; Y64-I70 HydrophobicContact CE2-CD1 4.31Å; Y64-I70 HydrophobicContact CE2-CG1 4.02Å
71A87.1Confident74Confident48 Ų4890.3 Ų90.340%0.39752%0.518SS..SBendtrans-64.4144.1-177.400000112R30 S69 G73R30-A71 PolarHBondContact NH2-O 2.99Å; R30-A71 VanDerWaalsContact NH2-O 3.16Å; S69-A71 PolarHBondContact OG-N 3.23Å; A71-G73 PolarHBondContact O-N 3.17Å
72A87Confident71.1Confident34 Ų3492.9 Ų92.928%0.28154%0.537SS..PPolyproline II helixtrans-67.3129.5167.800000108.8P24 Q74P24-A72 HydrophobicContact CB-CB 3.32Å; P24-A72 HydrophobicContact CG-CB 3.97Å; A72-Q74 PolarHBondContact O-N 2.78Å; A72-Q74 VanDerWaalsContact O-N 3.16Å
73G78.4Confident68.6Low34 Ų34102.6 Ų102.635%0.35157%0.573SS.*PPolyproline II helixtrans-56.7123.8177.500000110.9R63 A71 I75R63-G73 VanDerWaalsContact CZ-CA 3.47Å; A71-G73 PolarHBondContact O-N 3.17Å; G73-I75 PolarHBondContact O-N 3.41Å
74Q65.7Low66.2Low174 Ų174107.8 Ų107.881%0.81359%0.593SS**PPolyproline II helixtrans-60.8124.1166.8-67.5-174.4-48.300107.3A72 K76A72-Q74 PolarHBondContact O-N 2.78Å; A72-Q74 VanDerWaalsContact O-N 3.16Å; Q74-K76 PolarHBondContact O-N 2.71Å
75I59.7Low63.6Low164 Ų164111.9 Ų111.984%0.84162%0.619SS**  trans-64.992.3162.7-60.4170.4000103.9G73 S77G73-I75 PolarHBondContact O-N 3.41Å; I75-S77 VanDerWaalsContact C-N 3.34Å; I75-S77 PolarHBondContact O-N 3.31Å
76K52Low61.2Low178 Ų178119.5 Ų119.577%0.77463%0.632SS**  trans-60108.4161.7-65.2-173.6179.1-174.40104.1Q74 R78Q74-K76 PolarHBondContact O-N 2.71Å; K76-R78 VanDerWaalsContact C-N 3.28Å; K76-R78 PolarHBondContact O-N 2.77Å
77S42.5Very low59.1Low109 Ų109116.4 Ų116.476%0.76263%0.626SS**  trans-51104.816222.30000105.1I75 P79I75-S77 VanDerWaalsContact C-N 3.34Å; I75-S77 PolarHBondContact O-N 3.31Å; S77-P79 WeakPolarHBondContact O-CD 3.38Å; S77-P79 VanDerWaalsContact O-N 3.14Å
78R41.1Very low56.6Low182 Ų182119.6 Ų119.669%0.68764%0.64SS**  trans-57.6122.5179.2-153.1-179.5-169.7-170.65.7105.2K76 A80 H169K76-R78 VanDerWaalsContact C-N 3.28Å; K76-R78 PolarHBondContact O-N 2.77Å; R78-A80 PolarHBondContact O-N 3.39Å; R78-H169 PolarHBondContact NH1-CD2 3.33Å; R78-H169 PolarHBondContact NH1-NE2 2.87Å; R78-H169 VanDerWaalsContact NH1-NE2 3.18Å
79P40.5Very low54.7Low108 Ų108125.5 Ų125.570%0.70165%0.652SS**  trans-55.4134.5171.122.2-29.3000106.6S77 V81S77-P79 WeakPolarHBondContact O-CD 3.38Å; S77-P79 VanDerWaalsContact O-N 3.14Å; P79-V81 PolarHBondContact O-N 3Å
80A39.2Very low52.4Low99 Ų99130.1 Ų130.182%0.81867%0.672SS**  trans-54.3107.117500000106.9R78 S82R78-A80 PolarHBondContact O-N 3.39Å; A80-S82 PolarHBondContact O-N 3.48Å
81V45.6Very low50.3Low102 Ų102134.3 Ų134.362%0.61870%0.7SS**  trans-65.498.2168.7172.80000104.5P79 Y83P79-V81 PolarHBondContact O-N 3Å; V81-Y83 PolarHBondContact O-N 2.92Å; V81-Y83 VanDerWaalsContact O-N 3.1Å
82S34.2Very low48Very low80 Ų80140.1 Ų140.156%0.55972%0.718SS**  trans-60.3108.3164-175.20000106A80 R84A80-S82 PolarHBondContact O-N 3.48Å; S82-R84 PolarHBondContact O-N 2.95Å
83Y40.5Very low45.6Very low214 Ų214144.1 Ų144.184%0.83974%0.739SS**  trans-67.682.2163.2-77.3-91000106.9V81V81-Y83 PolarHBondContact O-N 2.92Å; V81-Y83 VanDerWaalsContact O-N 3.1Å
84R40.5Very low43.9Very low210 Ų210146.6 Ų146.679%0.79275%0.749SS**  trans-128.4116.6162.2-72-169.3-171-175.32.6107.6S82S82-R84 PolarHBondContact O-N 2.95Å
85N40.6Very low42.5Very low157 Ų157144.1 Ų144.184%0.8475%0.745SS**  trans69.585168.6-56.6-35.2000116.2
86R41Very low41.5Very low235 Ų235146.4 Ų146.489%0.88775%0.745SS**  trans-97104.9148.5-163.6-176-69.3-132.82.2106.5N88R86-N88 PolarHBondContact O-N 3.42Å
87P44.6Very low40.9Very low95 Ų95144.8 Ų144.862%0.61774%0.744SS**  trans-68132.3170.227.5-30.1000108.3K89P87-K89 PolarHBondContact O-N 2.78Å
88N39Very low40.7Very low149 Ų149147 Ų14780%0.79775%0.748SS**  trans-59.3117.3174.9-1527.6000107.8R86R86-N88 PolarHBondContact O-N 3.42Å
89K49.3Very low40.8Very low171 Ų171146.7 Ų146.774%0.74375%0.754SS**  trans-126.6113.3167.2-74.2-170178.8-174.60106.5P87 V91P87-K89 PolarHBondContact O-N 2.78Å; K89-V91 PolarHBondContact O-N 3.45Å
90D42.3Very low40.6Very low151 Ų151145.7 Ų145.781%0.80776%0.755SS**  trans-48.1114.2174.5-50.9-70.4000109.6
91V44.8Very low40.7Very low127 Ų127147.8 Ų147.877%0.7776%0.757SS**  trans-115.8102.6166.7-178.40000107K89 V93K89-V91 PolarHBondContact O-N 3.45Å; V91-V93 PolarHBondContact O-N 3.04Å
92H38.7Very low40.1Very low169 Ų169152.7 Ų152.778%0.78277%0.77SS**  trans-45.4119.6166.3-175.777.9000110.7
93V36.9Very low40.1Very low119 Ų119153.7 Ų153.772%0.72178%0.783SS**PPolyproline II helixtrans-86.3120.5170.8-172.70000107V91 V95V91-V93 PolarHBondContact O-N 3.04Å; V93-V95 PolarHBondContact O-N 2.98Å
94P42.7Very low40Very low85 Ų85148.6 Ų148.655%0.55278%0.779SS**PPolyproline II helixtrans-69.6122.4173.6-2.316.3000109.1Y96P94-Y96 HydrophobicContact CB-CD2 4.22Å; P94-Y96 HydrophobicContact CB-CE2 4.01Å
95V36Very low39.5Very low122 Ų122145 Ų14574%0.73978%0.784SS**PPolyproline II helixtrans-74.5123.9165.6178.80000107V93V93-V95 PolarHBondContact O-N 2.98Å
96Y40.2Very low39.1Very low213 Ų213141.8 Ų141.884%0.83578%0.78SS**  trans-116.2122.3165.5-86.7-86000108.2P94P94-Y96 HydrophobicContact CB-CD2 4.22Å; P94-Y96 HydrophobicContact CB-CE2 4.01Å
97D37.8Very low38.7Very low143 Ų143138 Ų13877%0.76578%0.777SS**  trans-71142.2-177.4-70.8-58.3000112.7
98D38.4Very low38.7Very low156 Ų156141.3 Ų141.383%0.83479%0.786SS**  trans-90.6114.8179.2-170.416.5000109.9
99H43.3Very low38.6Very low175 Ų175142.5 Ų142.581%0.8179%0.789SS**  trans-145.6119.3166.5-88.1-73.7000111.3
100A37.9Very low38.1Very low88 Ų88144.4 Ų144.473%0.72779%0.793SS**  trans55124.4148.300000116.7
101V39.3Very low37.8Very low143 Ų143142.9 Ų142.987%0.86779%0.785SS**  -160.213076.8169.20000109.4
102K35Very low37.6Very low205 Ų205141.2 Ų141.289%0.89178%0.779SS**  trans-98.2166.8164.8-96.4179.4178.4171.10110.2
103A33.9Very low37.7Very low101 Ų101138.5 Ų138.584%0.83578%0.775SS**  trans88.6138.4172.300000113.5
104S36.9Very low38Very low106 Ų106139.2 Ų139.274%0.74178%0.779SS**  cis-168142.4-6.71760000105.3
105C30.6Very low37.6Very low134 Ų134141.5 Ų141.591%0.90579%0.791SS**  trans-165.878.4146.3-114.90000108
106A32Very low37.5Very low91 Ų91140.7 Ų140.775%0.75279%0.791SS**  trans-79108.9150.600000106.4
107D34Very low37.2Very low154 Ų154141.1 Ų141.182%0.82479%0.791SS**  trans-176.5118.9150.2-108.3-19.2000107.3
108M42.7Very low37.1Very low165 Ų165141.4 Ų141.481%0.81379%0.793SS**  trans154.2113.5145.3-81.8174.775.300111.2
109M38.7Very low36.7Very low175 Ų175140.4 Ų140.486%0.86280%0.796SS**  trans87.982.2154-59.5-171.1175.200118.7
110Y38.2Very low36.3Very low210 Ų210135.6 Ų135.682%0.82479%0.787SS**  trans-70.7131.1145.9-175-93.6000109.7
111D35Very low36.3Very low120 Ų120137.1 Ų137.164%0.64279%0.792SS**  166.9157.1110-150.8-10.7000111.5
112S42Very low36.3Very low92 Ų92136.7 Ų136.764%0.64379%0.79SS**  trans9874.6167.2-67.10000118.2
113T40.1Very low36.5Very low112 Ų112134.2 Ų134.269%0.68779%0.786SS**  68.9136.2106.965.60000121.1
114V42.5Very low36.7Very low133 Ų133131.3 Ų131.381%0.80676%0.759SS**  trans69118.2155.5-132.30000115.3
115V35.9Very low36.8Very low134 Ų134128.8 Ų128.881%0.81275%0.75SS**  -155.5141.850.31690000110
116S33.6Very low37.2Very low105 Ų105128.4 Ų128.473%0.73474%0.739SS**  trans-50.5126.9177.5-169.80000115.5
117R33.3Very low38Very low221 Ų221127.3 Ų127.383%0.83472%0.723SS**  -2.2125.5129.7-91.4177.3-118.2162-1.3116.1
118N36.5Very low38.8Very low150 Ų150125.3 Ų125.380%0.80271%0.708SS**  144.288.4126.9-71.4-18.9000112.8
119C28.6Very low39.3Very low135 Ų135123.9 Ų123.991%0.91270%0.698SS**SBendtrans-172.2143.2139.2-140.40000112.3
120A35.1Very low40.1Very low73 Ų73120.2 Ų120.260%0.60368%0.68SS**  trans83.361.5161.200000118.9T122A120-T122 VanDerWaalsContact C-N 3.31Å; A120-T122 PolarHBondContact O-N 3.49Å
121S39.5Very low40.8Very low121 Ų121116.7 Ų116.785%0.84667%0.669SS**THydrogen-bonded Turntrans-72.68.9174.442.40000117.4
122T38.1Very low42Very low134 Ų134117 Ų11782%0.82267%0.667SS**THydrogen-bonded Turntrans-125.6-1.1-173-37.50000116A120A120-T122 VanDerWaalsContact C-N 3.31Å; A120-T122 PolarHBondContact O-N 3.49Å
123L40.6Very low42.8Very low152 Ų152119.1 Ų119.180%0.79666%0.664SS**SBendtrans-114.9-2.2172.3-82.6157.1000113.8
124C37.1Very low43.9Very low40 Ų40118 Ų11827%0.2765%0.654SS.*Hα-helixtrans-77.9-25.9-165.6-140.50000114.8N126 V127 E128C124-N126 VanDerWaalsContact C-N 3.25Å; C124-N126 PolarHBondContact O-N 3.2Å; C124-V127 PolarHBondContact O-N 3.31Å; C124-E128 WeakPolarHBondContact O-CB 3.34Å; C124-E128 PolarHBondContact O-N 3.21Å; C124-E128 PolarHBondContact SG-OE1 2.85Å
125G38.8Very low45Very low54 Ų54113.4 Ų113.456%0.55763%0.633SS**Hα-helixtrans-59.6-29.1-171.200000115.5
126N39.6Very low46.4Very low126 Ų126113.1 Ų113.167%0.67462%0.624SS**Hα-helixtrans-89.8-33.4174-73.8-25.8000112.5C124 I130C124-N126 VanDerWaalsContact C-N 3.25Å; C124-N126 PolarHBondContact O-N 3.2Å; N126-I130 WeakPolarHBondContact O-CB 3.38Å; N126-I130 VanDerWaalsContact O-CD1 3.32Å; N126-I130 WeakPolarHBondContact O-CD1 3.32Å; N126-I130 WeakPolarHBondContact O-CG1 3.37Å; N126-I130 PolarHBondContact O-N 2.78Å
127V48.7Very low47.8Very low68 Ų68112.3 Ų112.341%0.41261%0.611SS.*Hα-helixtrans-73.7-40.6-179-179.10000111C124 I130 K131C124-V127 PolarHBondContact O-N 3.31Å; V127-I130 CarbonylContact O-C 3.57Å; V127-I130 PolarHBondContact O-N 2.9Å; V127-K131 HydrophobicContact CG1-CD 4.25Å; V127-K131 HydrophobicContact CG1-CG 4.35Å; V127-K131 WeakPolarHBondContact O-CB 3.45Å; V127-K131 WeakPolarHBondContact O-CG 3.44Å; V127-K131 PolarHBondContact O-N 3.25Å
128E50.9Low49.4Very low112 Ų112109.1 Ų109.152%0.52360%0.603SS.*Hα-helixtrans-63.3-45.4172.6-90.5157.618000111.1C124 I130 K131 E132C124-E128 WeakPolarHBondContact O-CB 3.34Å; C124-E128 PolarHBondContact O-N 3.21Å; C124-E128 PolarHBondContact SG-OE1 2.85Å; E128-I130 PolarHBondContact O-N 3.04Å; E128-K131 CarbonylContact O-C 3.57Å; E128-K131 PolarHBondContact O-N 2.88Å; E128-K131 VanDerWaalsContact O-N 3.13Å; E128-E132 WeakPolarHBondContact O-CB 3.3Å; E128-E132 PolarHBondContact O-N 3.38Å
129K51.7Low50.9Low135 Ų135105 Ų10559%0.58759%0.586SS**Hα-helixtrans-59-35.6173.1-117.6166.5-174.8163.10112.8K133K129-K133 VanDerWaalsContact O-CB 3.28Å; K129-K133 WeakPolarHBondContact O-CB 3.36Å; K129-K133 WeakPolarHBondContact O-CG 3.43Å; K129-K133 PolarHBondContact O-N 2.77Å
130I56.2Low52.6Low97 Ų97104 Ų10450%0.49756%0.563SS.*Hα-helixtrans-73.1-43175.3-69.8163.6000110.7N126 V127 E128 K133 L134N126-I130 WeakPolarHBondContact O-CB 3.38Å; N126-I130 VanDerWaalsContact O-CD1 3.32Å; N126-I130 WeakPolarHBondContact O-CD1 3.32Å; N126-I130 WeakPolarHBondContact O-CG1 3.37Å; N126-I130 PolarHBondContact O-N 2.78Å; V127-I130 CarbonylContact O-C 3.57Å; V127-I130 PolarHBondContact O-N 2.9Å; E128-I130 PolarHBondContact O-N 3.04Å; I130-K133 PolarHBondContact O-N 3.31Å; I130-L134 HydrophobicContact CG2-CD1 3.87Å; I130-L134 HydrophobicContact CG2-CG 4.28Å; I130-L134 VanDerWaalsContact O-CB 3.32Å; I130-L134 WeakPolarHBondContact O-CB 3.49Å; I130-L134 WeakPolarHBondContact O-CG 3.31Å; I130-L134 PolarHBondContact O-N 3.46Å
131K53.9Low53.7Low137 Ų137103.5 Ų103.560%0.59655%0.546SS*.Hα-helixtrans-64.5-41.4176.5-78.5179.2179179.20111.5V127 E128 L134 G135V127-K131 HydrophobicContact CG1-CD 4.25Å; V127-K131 HydrophobicContact CG1-CG 4.35Å; V127-K131 WeakPolarHBondContact O-CB 3.45Å; V127-K131 WeakPolarHBondContact O-CG 3.44Å; V127-K131 PolarHBondContact O-N 3.25Å; E128-K131 CarbonylContact O-C 3.57Å; E128-K131 PolarHBondContact O-N 2.88Å; E128-K131 VanDerWaalsContact O-N 3.13Å; K131-L134 CarbonylContact O-C 3.59Å; K131-L134 PolarHBondContact O-N 2.98Å; K131-G135 WeakPolarHBondContact O-CA 3.36Å; K131-G135 PolarHBondContact O-N 2.86Å
132E60.4Low55.1Low126 Ų126103.9 Ų103.959%0.58953%0.533SS*.Hα-helixtrans-64-47.9174.7-169.7179.2-162.800109.8E128 L134 G135 M136E128-E132 WeakPolarHBondContact O-CB 3.3Å; E128-E132 PolarHBondContact O-N 3.38Å; E132-L134 PolarHBondContact O-N 3.41Å; E132-G135 CarbonylContact O-C 3.56Å; E132-G135 PolarHBondContact O-N 2.89Å; E132-M136 WeakPolarHBondContact O-CB 3.39Å; E132-M136 VanDerWaalsContact O-CG 3.28Å; E132-M136 WeakPolarHBondContact O-CG 3.17Å; E132-M136 PolarHBondContact O-N 3.29Å
133K57.9Low56.3Low136 Ų136100.8 Ų100.859%0.59151%0.511SS*.Hα-helixtrans-58.9-43.7171.5-79.8178.4178.5-177.60112.7K129 I130 G135 M136 I137K129-K133 VanDerWaalsContact O-CB 3.28Å; K129-K133 WeakPolarHBondContact O-CB 3.36Å; K129-K133 WeakPolarHBondContact O-CG 3.43Å; K129-K133 PolarHBondContact O-N 2.77Å; I130-K133 PolarHBondContact O-N 3.31Å; K133-G135 VanDerWaalsContact C-N 3.33Å; K133-M136 PolarHBondContact O-N 3.22Å; K133-I137 WeakPolarHBondContact O-CB 3.46Å; K133-I137 WeakPolarHBondContact O-CD1 3.4Å; K133-I137 WeakPolarHBondContact O-CG1 3.31Å; K133-I137 PolarHBondContact O-N 2.92Å
134L63.4Low57.3Low90 Ų9097.5 Ų97.547%0.47150%0.497SS..Hα-helixtrans-66.3-36.5176.9-74.3171.5000111.5I130 K131 E132 I137 K138I130-L134 HydrophobicContact CG2-CD1 3.87Å; I130-L134 HydrophobicContact CG2-CG 4.28Å; I130-L134 VanDerWaalsContact O-CB 3.32Å; I130-L134 WeakPolarHBondContact O-CB 3.49Å; I130-L134 WeakPolarHBondContact O-CG 3.31Å; I130-L134 PolarHBondContact O-N 3.46Å; K131-L134 CarbonylContact O-C 3.59Å; K131-L134 PolarHBondContact O-N 2.98Å; E132-L134 PolarHBondContact O-N 3.41Å; L134-I137 PolarHBondContact O-N 2.82Å; L134-K138 WeakPolarHBondContact O-CB 3.39Å; L134-K138 VanDerWaalsContact O-CG 3.3Å; L134-K138 WeakPolarHBondContact O-CG 3.19Å; L134-K138 PolarHBondContact O-N 3Å
135G65.4Low58.3Low35 Ų35104.2 Ų104.236%0.36152%0.516SS..Hα-helixtrans-65.7-46.5175.200000111.4K131 E132 K133 I137 K138 S139K131-G135 WeakPolarHBondContact O-CA 3.36Å; K131-G135 PolarHBondContact O-N 2.86Å; E132-G135 CarbonylContact O-C 3.56Å; E132-G135 PolarHBondContact O-N 2.89Å; K133-G135 VanDerWaalsContact C-N 3.33Å; G135-I137 VanDerWaalsContact C-N 3.34Å; G135-I137 PolarHBondContact O-N 3.39Å; G135-K138 PolarHBondContact O-N 2.92Å; G135-S139 WeakPolarHBondContact O-CB 3.47Å; G135-S139 PolarHBondContact O-N 3.38Å
136M64.2Low59.5Low128 Ų128105.5 Ų105.563%0.63151%0.51SS*.Hα-helixtrans-60.1-42.7172.2-68.8179.490.700111.4E132 K133 W140E132-M136 WeakPolarHBondContact O-CB 3.39Å; E132-M136 VanDerWaalsContact O-CG 3.28Å; E132-M136 WeakPolarHBondContact O-CG 3.17Å; E132-M136 PolarHBondContact O-N 3.29Å; K133-M136 PolarHBondContact O-N 3.22Å; M136-W140 WeakPolarHBondContact O-CB 3.47Å; M136-W140 PolarHBondContact O-N 3.32Å
137I63.9Low59.9Low88 Ų88102.6 Ų102.645%0.45151%0.511SS..Hα-helixtrans-65.3-44.2177.3-68.2162.8000111K133 L134 G135 Y141K133-I137 WeakPolarHBondContact O-CB 3.46Å; K133-I137 WeakPolarHBondContact O-CD1 3.4Å; K133-I137 WeakPolarHBondContact O-CG1 3.31Å; K133-I137 PolarHBondContact O-N 2.92Å; L134-I137 PolarHBondContact O-N 2.82Å; G135-I137 VanDerWaalsContact C-N 3.34Å; G135-I137 PolarHBondContact O-N 3.39Å; I137-Y141 HydrophobicContact CG2-CD2 4.08Å; I137-Y141 HydrophobicContact CG2-CE2 4.4Å; I137-Y141 WeakPolarHBondContact O-CB 3.38Å; I137-Y141 WeakPolarHBondContact O-CD2 3.38Å; I137-Y141 PolarHBondContact O-N 2.8Å
138K66.8Low60.1Low155 Ų155102.7 Ų102.767%0.67451%0.511SS*.Hα-helixtrans-65.8-43.1177.1-76.5178.9-179.8-1780111.9L134 G135 Y141 F142L134-K138 WeakPolarHBondContact O-CB 3.39Å; L134-K138 VanDerWaalsContact O-CG 3.3Å; L134-K138 WeakPolarHBondContact O-CG 3.19Å; L134-K138 PolarHBondContact O-N 3Å; G135-K138 PolarHBondContact O-N 2.92Å; K138-Y141 VanDerWaalsContact O-CB 3.31Å; K138-Y141 WeakPolarHBondContact O-CB 3.35Å; K138-Y141 PolarHBondContact O-N 3.36Å; K138-F142 WeakPolarHBondContact O-CB 3.18Å; K138-F142 PolarHBondContact O-N 3.02Å
139S68.5Low60.1Low62 Ų62104.1 Ų104.143%0.43452%0.522SS..Hα-helixtrans-63.2-47.1176.9178.90000110.7G135 Y141 F142 L143G135-S139 WeakPolarHBondContact O-CB 3.47Å; G135-S139 PolarHBondContact O-N 3.38Å; S139-Y141 VanDerWaalsContact C-N 3.32Å; S139-Y141 PolarHBondContact O-N 2.98Å; S139-F142 CarbonylContact O-C 3.56Å; S139-F142 WeakPolarHBondContact O-CA 3.4Å; S139-F142 WeakPolarHBondContact O-CB 3.18Å; S139-F142 PolarHBondContact O-N 3.32Å; S139-L143 WeakPolarHBondContact O-CG 3.2Å; S139-L143 PolarHBondContact O-N 3.08Å
140W65Low59.5Low115 Ų115102.6 Ų102.644%0.43653%0.528SS..Hα-helixtrans-59.4-43173.5-17577.6000111.7M136 F142 L143 V144M136-W140 WeakPolarHBondContact O-CB 3.47Å; M136-W140 PolarHBondContact O-N 3.32Å; W140-F142 VanDerWaalsContact C-N 3.28Å; W140-F142 PolarHBondContact O-N 2.92Å; W140-L143 PolarHBondContact O-N 3.49Å; W140-V144 HydrophobicContact CD2-CG2 4.02Å; W140-V144 HydrophobicContact CE3-CG2 4.45Å; W140-V144 HydrophobicContact CG-CG2 4.45Å; W140-V144 HydrophobicContact CH2-CG2 4.41Å; W140-V144 HydrophobicContact CZ2-CG2 3.98Å; W140-V144 WeakPolarHBondContact O-CB 3.19Å; W140-V144 WeakPolarHBondContact O-CG2 3.36Å; W140-V144 PolarHBondContact O-N 3.23Å
141Y58.3Low59Low63 Ų63102.8 Ų102.825%0.24754%0.535CS..Hα-helixtrans-57.5-39.9172-107.3-70.9000113.3P43 I137 K138 S139 R145P43-Y141 HydrophobicContact CB-CE1 4.21Å; P43-Y141 WeakPolarHBondContact CB-OH 3.36Å; P43-Y141 HydrophobicContact CG-CE1 3.42Å; P43-Y141 VanDerWaalsContact CG-CE1 3.42Å; P43-Y141 WeakPolarHBondContact CG-OH 3.47Å; I137-Y141 HydrophobicContact CG2-CD2 4.08Å; I137-Y141 HydrophobicContact CG2-CE2 4.4Å; I137-Y141 WeakPolarHBondContact O-CB 3.38Å; I137-Y141 WeakPolarHBondContact O-CD2 3.38Å; I137-Y141 PolarHBondContact O-N 2.8Å; K138-Y141 VanDerWaalsContact O-CB 3.31Å; K138-Y141 WeakPolarHBondContact O-CB 3.35Å; K138-Y141 PolarHBondContact O-N 3.36Å; S139-Y141 VanDerWaalsContact C-N 3.32Å; S139-Y141 PolarHBondContact O-N 2.98Å; Y141-R145 WeakPolarHBondContact O-CB 3.05Å; Y141-R145 PolarHBondContact O-N 3.36Å
142F67Low58.4Low129 Ų129101 Ų10157%0.56655%0.546SS*.Hα-helixtrans-72.1-44.2179.3-176.7-92.5000111.9K138 S139 W140 R145 N146K138-F142 WeakPolarHBondContact O-CB 3.18Å; K138-F142 PolarHBondContact O-N 3.02Å; S139-F142 CarbonylContact O-C 3.56Å; S139-F142 WeakPolarHBondContact O-CA 3.4Å; S139-F142 WeakPolarHBondContact O-CB 3.18Å; S139-F142 PolarHBondContact O-N 3.32Å; W140-F142 VanDerWaalsContact C-N 3.28Å; W140-F142 PolarHBondContact O-N 2.92Å; F142-R145 PolarHBondContact O-N 3.03Å; F142-N146 WeakPolarHBondContact CD1-ND2 3.23Å; F142-N146 WeakPolarHBondContact CD2-ND2 3.3Å; F142-N146 VanDerWaalsContact CE1-ND2 3.3Å; F142-N146 WeakPolarHBondContact CE1-ND2 3.4Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.47Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.41Å; F142-N146 PolarHBondContact O-N 3.28Å; F142-N146 PolarHBondContact O-ND2 3.24Å
143L63.8Low57.1Low69 Ų69101 Ų10136%0.36155%0.554SS.*Hα-helixtrans-61.2-46.5176.2-70.4172.2000111S139 W140 R145 N146 G147 V148S139-L143 WeakPolarHBondContact O-CG 3.2Å; S139-L143 PolarHBondContact O-N 3.08Å; W140-L143 PolarHBondContact O-N 3.49Å; L143-R145 VanDerWaalsContact C-N 3.3Å; L143-R145 PolarHBondContact O-N 3.39Å; L143-N146 PolarHBondContact O-N 2.89Å; L143-G147 PolarHBondContact O-N 2.82Å; L143-V148 HydrophobicContact CD2-CB 4.38Å; L143-V148 PolarHBondContact O-N 2.84Å
144V60.9Low55.8Low83 Ų8399.4 Ų99.450%0.50356%0.559SS.*Hα-helixtrans-61.4-38.3174.8172.60000111.4W140W140-V144 HydrophobicContact CD2-CG2 4.02Å; W140-V144 HydrophobicContact CE3-CG2 4.45Å; W140-V144 HydrophobicContact CG-CG2 4.45Å; W140-V144 HydrophobicContact CH2-CG2 4.41Å; W140-V144 HydrophobicContact CZ2-CG2 3.98Å; W140-V144 WeakPolarHBondContact O-CB 3.19Å; W140-V144 WeakPolarHBondContact O-CG2 3.36Å; W140-V144 PolarHBondContact O-N 3.23Å
145R58.2Low54.5Low180 Ų180101.8 Ų101.868%0.67958%0.578SS**Hα-helixtrans-69.8-34.3-179.6-177.2178.2179.1-173.8-2.9113.4Y141 F142 L143Y141-R145 WeakPolarHBondContact O-CB 3.05Å; Y141-R145 PolarHBondContact O-N 3.36Å; F142-R145 PolarHBondContact O-N 3.03Å; L143-R145 VanDerWaalsContact C-N 3.3Å; L143-R145 PolarHBondContact O-N 3.39Å
146N64.9Low53.4Low81 Ų81107.6 Ų107.643%0.43360%0.596SS.*THydrogen-bonded Turntrans-95.56.6-175.2-68.2-70.8000113.1F142 L143 V148F142-N146 WeakPolarHBondContact CD1-ND2 3.23Å; F142-N146 WeakPolarHBondContact CD2-ND2 3.3Å; F142-N146 VanDerWaalsContact CE1-ND2 3.3Å; F142-N146 WeakPolarHBondContact CE1-ND2 3.4Å; F142-N146 WeakPolarHBondContact CE2-ND2 3.47Å; F142-N146 WeakPolarHBondContact CZ-ND2 3.41Å; F142-N146 PolarHBondContact O-N 3.28Å; F142-N146 PolarHBondContact O-ND2 3.24Å; L143-N146 PolarHBondContact O-N 2.89Å; N146-V148 HydrophobicContact CB-CG2 3.57Å; N146-V148 WeakPolarHBondContact O-CG2 3.01Å; N146-V148 PolarHBondContact O-N 3.35Å
147G48.8Very low52.1Low66 Ų66107.2 Ų107.268%0.6860%0.603SS**THydrogen-bonded Turntrans59.118.1-17900000113.3L143 N149L143-G147 PolarHBondContact O-N 2.82Å; G147-N149 PolarHBondContact O-N 3Å; G147-N149 VanDerWaalsContact O-N 3.08Å
148V52.2Low50.7Low70 Ų70110.7 Ų110.742%0.42462%0.621SS.*  trans-8395.8-177.9-165.20000105.9L143 N146 C150L143-V148 HydrophobicContact CD2-CB 4.38Å; L143-V148 PolarHBondContact O-N 2.84Å; N146-V148 HydrophobicContact CB-CG2 3.57Å; N146-V148 WeakPolarHBondContact O-CG2 3.01Å; N146-V148 PolarHBondContact O-N 3.35Å; V148-C150 PolarHBondContact O-N 3.19Å
149N51.8Low49.5Very low142 Ų142110 Ų11076%0.75963%0.63SS**  trans-53.4133.3155.4-79.3-41.7000106.8G147G147-N149 PolarHBondContact O-N 3Å; G147-N149 VanDerWaalsContact O-N 3.08Å
150C38.3Very low47.8Very low103 Ų103111.2 Ų111.270%0.69664%0.639SS**  trans-29.1121.3175.430.80000111V148 A152V148-C150 PolarHBondContact O-N 3.19Å; C150-A152 PolarHBondContact O-N 3.04Å
151P45.7Very low46.7Very low100 Ų100110.5 Ų110.565%0.64966%0.657SS**  trans-59.6112.3171.923.9-28.9000105.9T153P151-T153 PolarHBondContact O-N 3.39Å
152A40.3Very low45.9Very low101 Ų101115.2 Ų115.284%0.83568%0.682SS**SBendtrans-70.968.4177.200000108.7C150C150-A152 PolarHBondContact O-N 3.04Å
153T34.3Very low44.4Very low124 Ų124114.4 Ų114.476%0.76168%0.683SS**  trans-145.659.7171.2-32.70000108P151P151-T153 PolarHBondContact O-N 3.39Å
154C30.2Very low43.2Very low103 Ų103117.4 Ų117.470%0.69671%0.709SS**  trans-136.279.3158-157.30000106.8Q156C154-Q156 PolarHBondContact O-N 3.19Å
155T36.6Very low42.4Very low141 Ų141118.8 Ų118.887%0.86572%0.722SS**  trans-64.785.3162.9-45.40000106.8
156Q42.7Very low41.8Very low156 Ų156117 Ų11773%0.72972%0.719SS**  trans-121.7127.3158.7-69.9-154.9-4.400107.8C154 L158C154-Q156 PolarHBondContact O-N 3.19Å; Q156-L158 PolarHBondContact O-N 3.22Å
157P36Very low41.2Very low121 Ų121123.7 Ų123.779%0.78674%0.738SS**  trans-66.8128.5175.2-11.326.1000109.9V159P157-V159 PolarHBondContact O-N 2.89Å
158L33.6Very low41.5Very low160 Ų160132 Ų13284%0.83875%0.749SS**  trans38.881.4142.5-153.280000117.3Q156Q156-L158 PolarHBondContact O-N 3.22Å
159V42.8Very low41.7Very low140 Ų140135.8 Ų135.885%0.84876%0.761SS**  trans-122.4107138.4-150.90000106.6P157 A161P157-V159 PolarHBondContact O-N 2.89Å; V159-A161 PolarHBondContact O-N 3.31Å
160S31.9Very low42.4Very low89 Ų89140.1 Ų140.162%0.62277%0.767SS**  trans-34.696.3-174.5-57.10000113.8Q162S160-Q162 PolarHBondContact O-N 3.33Å
161A42.7Very low44Very low100 Ų100137.9 Ų137.983%0.82675%0.752SS**THydrogen-bonded Turntrans-70.228.3173.800000113.1V159V159-A161 PolarHBondContact O-N 3.31Å
162Q42.2Very low45.7Very low162 Ų162141.2 Ų141.276%0.75776%0.759SS**THydrogen-bonded Turntrans-105.14.1-176.7-75.7-174.2-16.100114.1S160S160-Q162 PolarHBondContact O-N 3.33Å
163D33.9Very low48Very low111 Ų111138.3 Ų138.359%0.59473%0.727SS**SBendtrans-112.2-6.6-172.9-146.139.5000117.3K166D163-K166 WeakPolarHBondContact OD1-CD 3.46Å; D163-K166 VanDerWaalsContact OD1-CE 3.29Å; D163-K166 WeakPolarHBondContact OD1-CE 3.48Å; D163-K166 IonicContact OD1-NZ 2.73Å; D163-K166 PolarHBondContact OD1-NZ 3.13Å
164C38.4Very low50.8Low133 Ų133135.8 Ų135.890%0.89971%0.712SS**THydrogen-bonded Turntrans-89.6-0.3-178.569.10000115.7
165S43.8Very low53.7Low111 Ų111134.7 Ų134.778%0.77671%0.71SS**THydrogen-bonded Turntrans-12923177.7-167.80000114.7R167S165-R167 VanDerWaalsContact C-N 3.31Å; S165-R167 PolarHBondContact O-N 3.14Å
166K46.5Very low56.4Low144 Ų144135 Ų13563%0.62670%0.702SS**  trans-75.289.6166.9-70-179.7-166.3152.80109.1D163 R168D163-K166 WeakPolarHBondContact OD1-CD 3.46Å; D163-K166 VanDerWaalsContact OD1-CE 3.29Å; D163-K166 WeakPolarHBondContact OD1-CE 3.48Å; D163-K166 IonicContact OD1-NZ 2.73Å; D163-K166 PolarHBondContact OD1-NZ 3.13Å; K166-R168 PolarHBondContact O-N 3.04Å
167R52.3Low58.9Low221 Ų221129 Ų12983%0.83467%0.674SS**  trans-44.1112.9171.2-162176.1-177.4-170.6-1.4108.8S165 H169S165-R167 VanDerWaalsContact C-N 3.31Å; S165-R167 PolarHBondContact O-N 3.14Å; R167-H169 PolarHBondContact O-N 3Å; R167-H169 VanDerWaalsContact O-N 3.14Å
168R55.3Low61.7Low241 Ų241125.8 Ų125.891%0.90965%0.65SS**PPolyproline II helixtrans-46.2125.2-178.5-82.7-178.6177.7173.6-1.7109.5K166 R170K166-R168 PolarHBondContact O-N 3.04Å; R168-R170 PolarHBondContact O-N 3.47Å; R168-R170 VanDerWaalsContact O-N 3.12Å
169H57.3Low64.6Low148 Ų148122 Ų12269%0.68563%0.633SS**PPolyproline II helixtrans-58.3119.6176.8-73.781.7000108.4R78 R167 C171R78-H169 PolarHBondContact NH1-CD2 3.33Å; R78-H169 PolarHBondContact NH1-NE2 2.87Å; R78-H169 VanDerWaalsContact NH1-NE2 3.18Å; R167-H169 PolarHBondContact O-N 3Å; R167-H169 VanDerWaalsContact O-N 3.14Å; H169-C171 PolarHBondContact O-N 3.39Å
170R65.6Low67.1Low234 Ų234118.6 Ų118.688%0.88361%0.61SS**PPolyproline II helixtrans-69.9117.8175.9-169.7179.2-158.5163.36.6107.7R168R168-R170 PolarHBondContact O-N 3.47Å; R168-R170 VanDerWaalsContact O-N 3.12Å
171C71.5Confident70.2Confident56 Ų56114.4 Ų114.438%0.37858%0.58SS.*PPolyproline II helixtrans-64.8137.2170.6178.50000109.5H169H169-C171 PolarHBondContact O-N 3.39Å
172H81.4Confident72.7Confident169 Ų169113.5 Ų113.578%0.78256%0.559SS**  trans-108.4135.1173.1-160.3-84000108.2
173F89.1Confident75.3Confident41 Ų41108.9 Ų108.918%0.1854%0.54CS..  trans-79.6142.9175.1-59.6-91.3000109Q177 L178 L181 L205 W213F173-Q177 HydrophobicContact CB-CB 4.35Å; F173-L178 HydrophobicContact CB-CD1 4.4Å; F173-L178 HydrophobicContact CB-CD2 3.66Å; F173-L178 HydrophobicContact CB-CG 3.73Å; F173-L178 HydrophobicContact CD2-CD2 4.34Å; F173-L178 HydrophobicContact CG-CD2 4.07Å; F173-L181 HydrophobicContact CD1-CD1 3.77Å; F173-L181 HydrophobicContact CE1-CD1 3.89Å; F173-L205 HydrophobicContact CD1-CD1 3.35Å; F173-L205 HydrophobicContact CE1-CD1 3.25Å; F173-L205 HydrophobicContact CZ-CD1 4.46Å; F173-W213 HydrophobicContact CE1-CB 4.46Å; F173-W213 AromaticContact CE1-CD1 3.91Å; F173-W213 HydrophobicContact CE1-CG 4.45Å; F173-W213 AromaticContact CE2-CD1 3.61Å; F173-W213 HydrophobicContact CZ-CB 4Å; F173-W213 AromaticContact CZ-CD1 3.56Å; F173-W213 HydrophobicContact CZ-CG 4.14Å
174T92.7Very high78.2Confident71 Ų71104.3 Ų104.344%0.43652%0.517SS..  trans-70.2163.3169.271.10000110.2E176 Q177 L178T174-E176 VanDerWaalsContact C-N 3.3Å; T174-E176 PolarHBondContact O-N 3.46Å; T174-Q177 PolarHBondContact O-N 2.95Å; T174-Q177 WeakPolarHBondContact OG1-CB 3.33Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.42Å; T174-Q177 PolarHBondContact OG1-N 3.47Å; T174-Q177 VanDerWaalsContact OG1-N 3.11Å; T174-L178 WeakPolarHBondContact O-CG 3.47Å; T174-L178 PolarHBondContact O-N 3.36Å
175A92.1Very high81Confident80 Ų8099.1 Ų99.166%0.66148%0.479SS*.Hα-helixtrans-60.2-42.4176.600000111.5L178 T179A175-L178 WeakPolarHBondContact O-CB 3.39Å; A175-L178 PolarHBondContact O-N 3Å; A175-T179 PolarHBondContact O-N 3.29Å; A175-T179 PolarHBondContact O-OG1 3.22Å; A175-T179 VanDerWaalsContact O-OG1 3.1Å
176E93.5Very high83.4Confident146 Ų146102.9 Ų102.968%0.68248%0.476SS*.Hα-helixtrans-60.3-47.5175.4-177.1-178.6-168.800112.4T174 L178 T179 L180T174-E176 VanDerWaalsContact C-N 3.3Å; T174-E176 PolarHBondContact O-N 3.46Å; E176-L178 VanDerWaalsContact C-N 3.26Å; E176-L178 PolarHBondContact O-N 3.25Å; E176-T179 WeakPolarHBondContact O-CB 3.38Å; E176-T179 PolarHBondContact O-N 3.48Å; E176-T179 VanDerWaalsContact O-N 3.13Å; E176-L180 PolarHBondContact O-N 2.93Å
177Q95.2Very high85.7Confident30 Ų30104.2 Ų104.214%0.1449%0.485CS..Hα-helixtrans-58.3-40.1175.8-74.1175.5-23.800111.6F173 T174 L181 V203F173-Q177 HydrophobicContact CB-CB 4.35Å; T174-Q177 PolarHBondContact O-N 2.95Å; T174-Q177 WeakPolarHBondContact OG1-CB 3.33Å; T174-Q177 WeakPolarHBondContact OG1-CG 3.42Å; T174-Q177 PolarHBondContact OG1-N 3.47Å; T174-Q177 VanDerWaalsContact OG1-N 3.11Å; Q177-L181 WeakPolarHBondContact O-CB 3.29Å; Q177-L181 WeakPolarHBondContact O-CD1 3.22Å; Q177-L181 WeakPolarHBondContact O-CG 3.32Å; Q177-L181 PolarHBondContact O-N 3.17Å; Q177-V203 HydrophobicContact CB-CG1 3.58Å; Q177-V203 HydrophobicContact CG-CG1 3.51Å; Q177-V203 PolarHBondContact NE2-O 3.13Å
178L94.8Very high87.7Confident55 Ų5596.2 Ų96.229%0.28846%0.459SS..Hα-helixtrans-66.3-41.8176.4-70.2172.6000111.9F173 T174 A175 E176 L180 L181 E182F173-L178 HydrophobicContact CB-CD1 4.4Å; F173-L178 HydrophobicContact CB-CD2 3.66Å; F173-L178 HydrophobicContact CB-CG 3.73Å; F173-L178 HydrophobicContact CD2-CD2 4.34Å; F173-L178 HydrophobicContact CG-CD2 4.07Å; T174-L178 WeakPolarHBondContact O-CG 3.47Å; T174-L178 PolarHBondContact O-N 3.36Å; A175-L178 WeakPolarHBondContact O-CB 3.39Å; A175-L178 PolarHBondContact O-N 3Å; E176-L178 VanDerWaalsContact C-N 3.26Å; E176-L178 PolarHBondContact O-N 3.25Å; L178-L180 PolarHBondContact O-N 3.48Å; L178-L181 PolarHBondContact O-N 3.21Å; L178-E182 WeakPolarHBondContact O-CB 3.43Å; L178-E182 VanDerWaalsContact O-CG 3.32Å; L178-E182 WeakPolarHBondContact O-CG 3.45Å; L178-E182 PolarHBondContact O-N 3.37Å
179T94.6Very high89.6Confident79 Ų7986.1 Ų86.149%0.48543%0.427SS..Hα-helixtrans-58.6-47.2176.3-580000111.4A175 E176 L181 E182 N183A175-T179 PolarHBondContact O-N 3.29Å; A175-T179 PolarHBondContact O-OG1 3.22Å; A175-T179 VanDerWaalsContact O-OG1 3.1Å; E176-T179 WeakPolarHBondContact O-CB 3.38Å; E176-T179 PolarHBondContact O-N 3.48Å; E176-T179 VanDerWaalsContact O-N 3.13Å; T179-L181 PolarHBondContact O-N 3.24Å; T179-E182 PolarHBondContact O-N 2.83Å; T179-N183 WeakPolarHBondContact O-CB 3.25Å; T179-N183 VanDerWaalsContact O-CG 3.24Å; T179-N183 PolarHBondContact O-N 3.13Å; T179-N183 PolarHBondContact O-ND2 2.9Å
180L95Very high91.4Very high70 Ų7086.5 Ų86.537%0.36642%0.423SS..Hα-helixtrans-60.5-46.9176.8-70.3174.3000111.7E176 L178 E182 N183 A184 V203E176-L180 PolarHBondContact O-N 2.93Å; L178-L180 PolarHBondContact O-N 3.48Å; L180-E182 PolarHBondContact O-N 3.01Å; L180-N183 PolarHBondContact O-N 2.68Å; L180-A184 WeakPolarHBondContact O-CB 3.45Å; L180-A184 PolarHBondContact O-N 3.47Å; L180-V203 HydrophobicContact CB-CG2 4.04Å; L180-V203 HydrophobicContact CD1-CG2 4.23Å
181L96Very high92.8Very high0 Ų076 Ų760%039%0.386CS..Hα-helixtrans-64.7-38.6179-70.8168.5000112.6F173 Q177 L178 T179 F185 V203 I210 W213 F214F173-L181 HydrophobicContact CD1-CD1 3.77Å; F173-L181 HydrophobicContact CE1-CD1 3.89Å; Q177-L181 WeakPolarHBondContact O-CB 3.29Å; Q177-L181 WeakPolarHBondContact O-CD1 3.22Å; Q177-L181 WeakPolarHBondContact O-CG 3.32Å; Q177-L181 PolarHBondContact O-N 3.17Å; L178-L181 PolarHBondContact O-N 3.21Å; T179-L181 PolarHBondContact O-N 3.24Å; L181-F185 VanDerWaalsContact O-CB 3.31Å; L181-F185 WeakPolarHBondContact O-CB 3.32Å; L181-F185 PolarHBondContact O-N 3.16Å; L181-V203 HydrophobicContact CD1-CG1 4.18Å; L181-V203 HydrophobicContact CD2-CG2 4.14Å; L181-V203 HydrophobicContact CG-CG1 4.24Å; L181-V203 HydrophobicContact CG-CG2 4.15Å; L181-I210 HydrophobicContact CD2-CD1 3.7Å; L181-W213 VanDerWaalsContact C-CH2 3.41Å; L181-W213 HydrophobicContact CB-CD2 3.99Å; L181-W213 HydrophobicContact CB-CE3 4.03Å; L181-W213 HydrophobicContact CB-CH2 3.59Å; L181-W213 HydrophobicContact CB-CZ2 3.51Å; L181-W213 HydrophobicContact CB-CZ3 3.84Å; L181-W213 HydrophobicContact CD1-CD2 3.91Å; L181-W213 HydrophobicContact CD1-CG 3.92Å; L181-W213 HydrophobicContact CD1-CZ2 4.49Å; L181-W213 HydrophobicContact CD2-CD2 4.35Å; L181-W213 HydrophobicContact CD2-CE3 4.23Å; L181-W213 HydrophobicContact CG-CD2 4.32Å; L181-W213 VanDerWaalsContact O-CH2 3.25Å; L181-W213 WeakPolarHBondContact O-CH2 3.35Å; L181-W213 WeakPolarHBondContact O-CZ3 3.37Å; L181-F214 HydrophobicContact CD2-CE2 4.12Å
182E96Very high94Very high81 Ų8178 Ų7838%0.37939%0.392SS..Hα-helixtrans-68.8-39.9176.6-75.5-172.9-179.100112.4L178 T179 L180 F185 R186 W213L178-E182 WeakPolarHBondContact O-CB 3.43Å; L178-E182 VanDerWaalsContact O-CG 3.32Å; L178-E182 WeakPolarHBondContact O-CG 3.45Å; L178-E182 PolarHBondContact O-N 3.37Å; T179-E182 PolarHBondContact O-N 2.83Å; L180-E182 PolarHBondContact O-N 3.01Å; E182-F185 WeakPolarHBondContact O-CB 3.5Å; E182-F185 PolarHBondContact O-N 3.28Å; E182-R186 WeakPolarHBondContact O-CG 3.26Å; E182-R186 PolarHBondContact O-N 3.46Å; E182-W213 HydrophobicContact CG-CH2 4.22Å; E182-W213 HydrophobicContact CG-CZ2 4.08Å
183N95.9Very high94.6Very high66 Ų6672.4 Ų72.435%0.35337%0.373SS..Hα-helixtrans-62.6-46.6173.6-72.4-17.2000111.2T179 L180 F185 R186 Q187T179-N183 WeakPolarHBondContact O-CB 3.25Å; T179-N183 VanDerWaalsContact O-CG 3.24Å; T179-N183 PolarHBondContact O-N 3.13Å; T179-N183 PolarHBondContact O-ND2 2.9Å; L180-N183 PolarHBondContact O-N 2.68Å; N183-F185 VanDerWaalsContact C-N 3.3Å; N183-F185 PolarHBondContact O-N 3.14Å; N183-R186 PolarHBondContact O-N 2.88Å; N183-R186 PolarHBondContact OD1-NH1 3.16Å; N183-Q187 PolarHBondContact O-N 3.15Å
184A95.8Very high94.9Very high14 Ų1474.5 Ų74.512%0.11639%0.389CS..Hα-helixtrans-60.7-38.8174.600000112.2L180 R186 Q187 N188 L199 F214L180-A184 WeakPolarHBondContact O-CB 3.45Å; L180-A184 PolarHBondContact O-N 3.47Å; A184-R186 VanDerWaalsContact C-N 3.34Å; A184-R186 PolarHBondContact O-N 3.4Å; A184-Q187 PolarHBondContact O-N 2.81Å; A184-N188 PolarHBondContact O-N 3.46Å; A184-L199 HydrophobicContact CB-CD1 3.89Å; A184-L199 HydrophobicContact CB-CD2 3.56Å; A184-L199 HydrophobicContact CB-CG 4.39Å; A184-F214 HydrophobicContact CB-CZ 4.07Å
185F96.7Very high95Very high24 Ų2474.9 Ų74.911%0.10539%0.385CS..Hα-helixtrans-64.2-35.8176.6-174.3-93.7000113.3L181 E182 N183 Q187 N188 A189 W213 F214 R217 R218L181-F185 VanDerWaalsContact O-CB 3.31Å; L181-F185 WeakPolarHBondContact O-CB 3.32Å; L181-F185 PolarHBondContact O-N 3.16Å; E182-F185 WeakPolarHBondContact O-CB 3.5Å; E182-F185 PolarHBondContact O-N 3.28Å; N183-F185 VanDerWaalsContact C-N 3.3Å; N183-F185 PolarHBondContact O-N 3.14Å; F185-Q187 VanDerWaalsContact C-N 3.34Å; F185-N188 CarbonylContact O-C 3.56Å; F185-A189 HydrophobicContact CD2-CB 4.3Å; F185-A189 HydrophobicContact CE2-CB 3.84Å; F185-A189 HydrophobicContact CZ-CB 4Å; F185-A189 PolarHBondContact O-N 2.59Å; F185-W213 HydrophobicContact CB-CH2 4.03Å; F185-W213 HydrophobicContact CB-CZ3 4Å; F185-W213 HydrophobicContact CD2-CZ3 4.19Å; F185-W213 HydrophobicContact CG-CZ3 4.4Å; F185-F214 HydrophobicContact CB-CE1 4.13Å; F185-F214 AromaticContact CD2-CD1 3.79Å; F185-F214 HydrophobicContact CD2-CD1 3.79Å; F185-F214 AromaticContact CD2-CE1 3.9Å; F185-F214 HydrophobicContact CD2-CE1 3.9Å; F185-F214 HydrophobicContact CE2-CD1 4.49Å; F185-R217 HydrophobicContact CD1-CG 4.01Å; F185-R217 HydrophobicContact CD2-CB 4.13Å; F185-R217 HydrophobicContact CD2-CG 3.53Å; F185-R217 HydrophobicContact CE1-CG 4.01Å; F185-R217 HydrophobicContact CE2-CB 4Å; F185-R217 HydrophobicContact CE2-CG 3.53Å; F185-R217 HydrophobicContact CG-CG 3.79Å; F185-R217 HydrophobicContact CZ-CG 3.78Å; F185-R218 HydrophobicContact CE2-CG 3.69Å; F185-R218 HydrophobicContact CZ-CG 4.16Å
186R94.6Very high95.2Very high190 Ų19073.7 Ų73.772%0.71736%0.364SS*.Hα-helixtrans-66.9-35.6175.3-72.3176.2-176.7150.5-0.2112.1E182 N183 A184E182-R186 WeakPolarHBondContact O-CG 3.26Å; E182-R186 PolarHBondContact O-N 3.46Å; N183-R186 PolarHBondContact O-N 2.88Å; N183-R186 PolarHBondContact OD1-NH1 3.16Å; A184-R186 VanDerWaalsContact C-N 3.34Å; A184-R186 PolarHBondContact O-N 3.4Å
187Q94.6Very high95.3Very high172 Ų17273.2 Ų73.280%0.80436%0.36SS*.Hα-helixtrans-75.4-48.7177.9-64.8176.415.800111.8N183 A184 F185N183-Q187 PolarHBondContact O-N 3.15Å; A184-Q187 PolarHBondContact O-N 2.81Å; F185-Q187 VanDerWaalsContact C-N 3.34Å
188N94.1Very high95.4Very high54 Ų5476.7 Ų76.729%0.28938%0.376SS..  trans-146.4109.8178.1-177.19.2000111.5A184 F185 Y190 Q195 F214A184-N188 PolarHBondContact O-N 3.46Å; F185-N188 CarbonylContact O-C 3.56Å; N188-Y190 PolarHBondContact ND2-O 3.49Å; N188-Y190 PolarHBondContact O-N 3.1Å; N188-Y190 VanDerWaalsContact OD1-C 3.3Å; N188-Y190 WeakPolarHBondContact OD1-CA 3.35Å; N188-Y190 PolarHBondContact OD1-N 2.87Å; N188-Y190 PolarHBondContact OD1-O 3.45Å; N188-Q195 PolarHBondContact ND2-OE1 3.27Å; N188-F214 WeakPolarHBondContact O-CE1 3.31Å
189A94.6Very high95.4Very high29 Ų2975.2 Ų75.224%0.2437%0.368CS..SBendtrans-71-13.3176.700000113.9F185 R218F185-A189 HydrophobicContact CD2-CB 4.3Å; F185-A189 HydrophobicContact CE2-CB 3.84Å; F185-A189 HydrophobicContact CZ-CB 4Å; F185-A189 PolarHBondContact O-N 2.59Å; A189-R218 WeakPolarHBondContact O-CD 3.44Å; A189-R218 PolarHBondContact O-NH1 2.8Å
190Y96.3Very high95.4Very high155 Ų15572 Ų7261%0.60835%0.349SS*.SBendtrans-127.771.3-178.7-64.2-88.4000111N188 R218N188-Y190 PolarHBondContact ND2-O 3.49Å; N188-Y190 PolarHBondContact O-N 3.1Å; N188-Y190 VanDerWaalsContact OD1-C 3.3Å; N188-Y190 WeakPolarHBondContact OD1-CA 3.35Å; N188-Y190 PolarHBondContact OD1-N 2.87Å; N188-Y190 PolarHBondContact OD1-O 3.45Å; Y190-R218 VanDerWaalsContact CZ-CD 3.44Å
191P94.7Very high95.5Very high15 Ų1575.6 Ų75.610%0.09736%0.364CS..  trans-69.1133.7-179.129.2-36.2000111.9Q195 R196 F214P191-Q195 HydrophobicContact CB-CB 3.91Å; P191-R196 HydrophobicContact CB-CG 3.96Å; P191-R196 HydrophobicContact CG-CG 3.82Å; P191-R196 PolarHBondContact O-NE 3.41Å; P191-F214 VanDerWaalsContact CD-CD1 3.45Å; P191-F214 HydrophobicContact CG-CD1 3.68Å; P191-F214 HydrophobicContact CG-CD2 4.03Å; P191-F214 HydrophobicContact CG-CE1 3.69Å; P191-F214 HydrophobicContact CG-CE2 4.06Å; P191-F214 HydrophobicContact CG-CG 3.86Å; P191-F214 HydrophobicContact CG-CZ 3.89Å
192D95.6Very high95.3Very high96 Ų9680.6 Ų80.651%0.51339%0.391SS..  trans-71.3173.1175.6-174.739.5000112V194 Q195 R196D192-V194 VanDerWaalsContact C-N 3.28Å; D192-V194 PolarHBondContact O-N 2.88Å; D192-Q195 VanDerWaalsContact N-OE1 3.15Å; D192-Q195 PolarHBondContact O-N 3.13Å; D192-R196 WeakPolarHBondContact O-CB 3.35Å; D192-R196 WeakPolarHBondContact O-CG 3.28Å; D192-R196 PolarHBondContact O-N 3.18Å
193S95Very high95.2Very high53 Ų5377 Ų7737%0.37137%0.374SS..Hα-helixtrans-45.7-45.9173.8680000113.8K197S193-K197 WeakPolarHBondContact O-CG 3.46Å; S193-K197 PolarHBondContact O-N 2.69Å; S193-K197 VanDerWaalsContact O-N 3.16Å
194V95.5Very high95.1Very high85 Ų8581.8 Ų81.852%0.51540%0.395SS..Hα-helixtrans-68.8-49.2-179-179.10000110.9D192 R196 K197 Q198D192-V194 VanDerWaalsContact C-N 3.28Å; D192-V194 PolarHBondContact O-N 2.88Å; V194-R196 VanDerWaalsContact C-N 3.3Å; V194-R196 PolarHBondContact O-N 3.23Å; V194-K197 WeakPolarHBondContact O-CB 3.47Å; V194-K197 PolarHBondContact O-N 3.4Å; V194-K197 VanDerWaalsContact O-N 3.1Å; V194-Q198 PolarHBondContact O-N 3.08Å
195Q94.1Very high94.9Very high78 Ų7882.4 Ų82.436%0.36440%0.396SS..Hα-helixtrans-61.9-38.5178.8-68.3176.3-36.100111.8N188 P191 D192 K197 Q198 L199N188-Q195 PolarHBondContact ND2-OE1 3.27Å; P191-Q195 HydrophobicContact CB-CB 3.91Å; D192-Q195 VanDerWaalsContact N-OE1 3.15Å; D192-Q195 PolarHBondContact O-N 3.13Å; Q195-K197 VanDerWaalsContact C-N 3.33Å; Q195-K197 PolarHBondContact O-N 3.5Å; Q195-Q198 PolarHBondContact O-N 3.16Å; Q195-L199 WeakPolarHBondContact O-CG 3.47Å; Q195-L199 PolarHBondContact O-N 3.09Å
196R96.4Very high94.7Very high56 Ų5686.5 Ų86.521%0.21142%0.419CS..Hα-helixtrans-65.1-35.3175.3-75-174.7-74148.9-5.5112.7P191 D192 V194 A200 V207 I210P191-R196 HydrophobicContact CB-CG 3.96Å; P191-R196 HydrophobicContact CG-CG 3.82Å; P191-R196 PolarHBondContact O-NE 3.41Å; D192-R196 WeakPolarHBondContact O-CB 3.35Å; D192-R196 WeakPolarHBondContact O-CG 3.28Å; D192-R196 PolarHBondContact O-N 3.18Å; V194-R196 VanDerWaalsContact C-N 3.3Å; V194-R196 PolarHBondContact O-N 3.23Å; R196-A200 VanDerWaalsContact O-CB 3.24Å; R196-A200 WeakPolarHBondContact O-CB 3.3Å; R196-A200 PolarHBondContact O-N 2.85Å; R196-V207 HydrophobicContact CB-CG1 4.15Å; R196-I210 HydrophobicContact CB-CG2 4.49Å; R196-I210 HydrophobicContact CG-CG2 4.24Å
197K96.5Very high94.7Very high136 Ų13679.4 Ų79.459%0.59140%0.397SS*.Hα-helixtrans-67.9-41.2174.7-75.2177.4-179.9-178.80111.6S193 V194 Q195 A200 Q201 V207S193-K197 WeakPolarHBondContact O-CG 3.46Å; S193-K197 PolarHBondContact O-N 2.69Å; S193-K197 VanDerWaalsContact O-N 3.16Å; V194-K197 WeakPolarHBondContact O-CB 3.47Å; V194-K197 PolarHBondContact O-N 3.4Å; V194-K197 VanDerWaalsContact O-N 3.1Å; Q195-K197 VanDerWaalsContact C-N 3.33Å; Q195-K197 PolarHBondContact O-N 3.5Å; K197-A200 WeakPolarHBondContact O-CB 3.37Å; K197-A200 PolarHBondContact O-N 3.41Å; K197-Q201 WeakPolarHBondContact O-CG 3.36Å; K197-Q201 PolarHBondContact O-N 2.84Å; K197-V207 HydrophobicContact CG-CG2 4.09Å
198Q95.7Very high94.7Very high102 Ų10276.9 Ų76.948%0.47739%0.385SS..Hα-helixtrans-62.7-51175.2-70.7170.8-2500111.2V194 Q195 A200 Q201 D202V194-Q198 PolarHBondContact O-N 3.08Å; Q195-Q198 PolarHBondContact O-N 3.16Å; Q198-A200 PolarHBondContact O-N 3.49Å; Q198-Q201 WeakPolarHBondContact O-CA 3.06Å; Q198-Q201 WeakPolarHBondContact O-CB 3.29Å; Q198-Q201 PolarHBondContact O-N 2.97Å; Q198-D202 PolarHBondContact O-N 3.14Å
199L95.5Very high94.6Very high24 Ų2478.4 Ų78.413%0.12639%0.389CS..Hα-helixtrans-60-33.6176.4-70171.8000113.1A184 Q195 Q201 V203 I210 F214A184-L199 HydrophobicContact CB-CD1 3.89Å; A184-L199 HydrophobicContact CB-CD2 3.56Å; A184-L199 HydrophobicContact CB-CG 4.39Å; Q195-L199 WeakPolarHBondContact O-CG 3.47Å; Q195-L199 PolarHBondContact O-N 3.09Å; L199-Q201 VanDerWaalsContact C-N 3.31Å; L199-V203 VanDerWaalsContact O-CB 3.23Å; L199-V203 WeakPolarHBondContact O-CB 3.31Å; L199-V203 WeakPolarHBondContact O-CG2 3.5Å; L199-V203 PolarHBondContact O-N 3.03Å; L199-I210 HydrophobicContact CB-CG2 4.26Å; L199-I210 HydrophobicContact CD1-CG2 4.4Å; L199-F214 HydrophobicContact CD1-CE2 3.78Å; L199-F214 HydrophobicContact CD1-CZ 3.82Å
200A95.8Very high94.6Very high11 Ų1177 Ų779%0.09138%0.378CS..Hα-helixtrans-63.1-37.8174.500000112.1R196 K197 Q198 Q204 L205 V207 I210R196-A200 VanDerWaalsContact O-CB 3.24Å; R196-A200 WeakPolarHBondContact O-CB 3.3Å; R196-A200 PolarHBondContact O-N 2.85Å; K197-A200 WeakPolarHBondContact O-CB 3.37Å; K197-A200 PolarHBondContact O-N 3.41Å; Q198-A200 PolarHBondContact O-N 3.49Å; A200-Q204 WeakPolarHBondContact O-CA 3.22Å; A200-Q204 PolarHBondContact O-N 2.91Å; A200-Q204 VanDerWaalsContact O-N 3.1Å; A200-L205 CarbonylContact C-O 3.54Å; A200-L205 VanDerWaalsContact CA-O 3.26Å; A200-L205 WeakPolarHBondContact CA-O 3.17Å; A200-L205 WeakPolarHBondContact CB-O 3.5Å; A200-L205 PolarHBondContact O-N 3.4Å; A200-L205 VanDerWaalsContact O-O 3.12Å; A200-V207 HydrophobicContact CB-CG2 3.8Å; A200-I210 HydrophobicContact CB-CG1 4.09Å
201Q95.4Very high94.6Very high146 Ų14674.6 Ų74.668%0.68237%0.372SS*.Hα-helixtrans-69.2-49.7174.6-68172.4-17.900110.9K197 Q198 L199 V203 Q204K197-Q201 WeakPolarHBondContact O-CG 3.36Å; K197-Q201 PolarHBondContact O-N 2.84Å; Q198-Q201 WeakPolarHBondContact O-CA 3.06Å; Q198-Q201 WeakPolarHBondContact O-CB 3.29Å; Q198-Q201 PolarHBondContact O-N 2.97Å; L199-Q201 VanDerWaalsContact C-N 3.31Å; Q201-V203 PolarHBondContact O-N 3.01Å; Q201-Q204 PolarHBondContact O-N 3.36Å
202D93.3Very high94.5Very high106 Ų10677.8 Ų77.857%0.56739%0.391SS*.Hα-helixtrans-61.9-43.1-177.3-59.7-22.6000112.4Q198 Q204Q198-D202 PolarHBondContact O-N 3.14Å; D202-Q204 VanDerWaalsContact C-N 3.33Å
203V93.1Very high94.5Very high4 Ų474.3 Ų74.32%0.02437%0.371CS..Hα-helixtrans-87.2-8-176.7-173.60000111.5Q177 L180 L181 L199 Q201 L205 I210Q177-V203 HydrophobicContact CB-CG1 3.58Å; Q177-V203 HydrophobicContact CG-CG1 3.51Å; Q177-V203 PolarHBondContact NE2-O 3.13Å; L180-V203 HydrophobicContact CB-CG2 4.04Å; L180-V203 HydrophobicContact CD1-CG2 4.23Å; L181-V203 HydrophobicContact CD1-CG1 4.18Å; L181-V203 HydrophobicContact CD2-CG2 4.14Å; L181-V203 HydrophobicContact CG-CG1 4.24Å; L181-V203 HydrophobicContact CG-CG2 4.15Å; L199-V203 VanDerWaalsContact O-CB 3.23Å; L199-V203 WeakPolarHBondContact O-CB 3.31Å; L199-V203 WeakPolarHBondContact O-CG2 3.5Å; L199-V203 PolarHBondContact O-N 3.03Å; Q201-V203 PolarHBondContact O-N 3.01Å; V203-L205 HydrophobicContact CG1-CD1 3.61Å; V203-L205 HydrophobicContact CG1-CG 4.02Å; V203-I210 HydrophobicContact CB-CD1 4.37Å
204Q93.9Very high94.6Very high168 Ų16871.9 Ų71.979%0.78535%0.353SS*.THydrogen-bonded Turntrans5648.5-175.2-58-178.5-1900113.2A200 Q201 D202A200-Q204 WeakPolarHBondContact O-CA 3.22Å; A200-Q204 PolarHBondContact O-N 2.91Å; A200-Q204 VanDerWaalsContact O-N 3.1Å; Q201-Q204 PolarHBondContact O-N 3.36Å; D202-Q204 VanDerWaalsContact C-N 3.33Å
205L91.4Very high94.6Very high26 Ų2670.7 Ų70.714%0.13635%0.349CS..SBendtrans-136.5154.6179.9-66.4177.5000111.3F173 A200 V203 K209 I210F173-L205 HydrophobicContact CD1-CD1 3.35Å; F173-L205 HydrophobicContact CE1-CD1 3.25Å; F173-L205 HydrophobicContact CZ-CD1 4.46Å; A200-L205 CarbonylContact C-O 3.54Å; A200-L205 VanDerWaalsContact CA-O 3.26Å; A200-L205 WeakPolarHBondContact CA-O 3.17Å; A200-L205 WeakPolarHBondContact CB-O 3.5Å; A200-L205 PolarHBondContact O-N 3.4Å; A200-L205 VanDerWaalsContact O-O 3.12Å; V203-L205 HydrophobicContact CG1-CD1 3.61Å; V203-L205 HydrophobicContact CG1-CG 4.02Å; L205-K209 HydrophobicContact CB-CB 4.28Å; L205-I210 HydrophobicContact CB-CD1 4.39Å
206N93.2Very high94.6Very high110 Ų11071 Ų7159%0.58835%0.353SS*.  trans-64149.4177.2-59.210.1000112.4E208 K209 I210N206-E208 VanDerWaalsContact CB-OE2 3.28Å; N206-E208 WeakPolarHBondContact CB-OE2 3.32Å; N206-E208 PolarHBondContact O-N 3.03Å; N206-E208 VanDerWaalsContact O-N 3.14Å; N206-K209 HydrophobicContact CB-CG 4.36Å; N206-K209 WeakPolarHBondContact O-CA 3.44Å; N206-K209 VanDerWaalsContact O-CB 3.27Å; N206-K209 WeakPolarHBondContact O-CB 3.26Å; N206-K209 PolarHBondContact O-N 2.92Å; N206-I210 PolarHBondContact O-N 3.21Å
207V94.5Very high94.5Very high42 Ų4271.2 Ų71.226%0.25535%0.354SS..Hα-helixtrans-54.8-35.2178.5178.90000112.1R196 K197 A200 K209 I210 Q211R196-V207 HydrophobicContact CB-CG1 4.15Å; K197-V207 HydrophobicContact CG-CG2 4.09Å; A200-V207 HydrophobicContact CB-CG2 3.8Å; V207-K209 VanDerWaalsContact C-N 3.29Å; V207-K209 PolarHBondContact O-N 3.4Å; V207-I210 PolarHBondContact O-N 2.77Å; V207-Q211 PolarHBondContact O-N 3.02Å
208E93.9Very high94.5Very high118 Ų11867.2 Ų67.255%0.55134%0.335SS*.Hα-helixtrans-64.9-34.1176.4-58.773.2-151.800111.7N206 V212N206-E208 VanDerWaalsContact CB-OE2 3.28Å; N206-E208 WeakPolarHBondContact CB-OE2 3.32Å; N206-E208 PolarHBondContact O-N 3.03Å; N206-E208 VanDerWaalsContact O-N 3.14Å; E208-V212 WeakPolarHBondContact O-CB 3.4Å; E208-V212 WeakPolarHBondContact O-CG2 3.34Å; E208-V212 PolarHBondContact O-N 3.33Å
209K93.1Very high94.2Very high87 Ų8763.7 Ų63.738%0.37832%0.323SS..Hα-helixtrans-67.4-42.4176.4-62.3-63.5-173.8-176.90110.9L205 N206 V207 V212 W213L205-K209 HydrophobicContact CB-CB 4.28Å; N206-K209 HydrophobicContact CB-CG 4.36Å; N206-K209 WeakPolarHBondContact O-CA 3.44Å; N206-K209 VanDerWaalsContact O-CB 3.27Å; N206-K209 WeakPolarHBondContact O-CB 3.26Å; N206-K209 PolarHBondContact O-N 2.92Å; V207-K209 VanDerWaalsContact C-N 3.29Å; V207-K209 PolarHBondContact O-N 3.4Å; K209-V212 PolarHBondContact O-N 2.93Å; K209-W213 VanDerWaalsContact O-CB 3.29Å; K209-W213 WeakPolarHBondContact O-CB 3.49Å; K209-W213 PolarHBondContact O-N 3.31Å
210I94.6Very high93.8Very high0 Ų070.7 Ų70.70%035%0.348CS..Hα-helixtrans-61.7-49.4175.6-54.1-62.4000109.9L181 R196 L199 A200 V203 L205 N206 V207 V212 W213 F214L181-I210 HydrophobicContact CD2-CD1 3.7Å; R196-I210 HydrophobicContact CB-CG2 4.49Å; R196-I210 HydrophobicContact CG-CG2 4.24Å; L199-I210 HydrophobicContact CB-CG2 4.26Å; L199-I210 HydrophobicContact CD1-CG2 4.4Å; A200-I210 HydrophobicContact CB-CG1 4.09Å; V203-I210 HydrophobicContact CB-CD1 4.37Å; L205-I210 HydrophobicContact CB-CD1 4.39Å; N206-I210 PolarHBondContact O-N 3.21Å; V207-I210 PolarHBondContact O-N 2.77Å; I210-V212 VanDerWaalsContact C-N 3.35Å; I210-V212 PolarHBondContact O-N 2.86Å; I210-W213 PolarHBondContact O-N 3.44Å; I210-W213 VanDerWaalsContact O-N 3.12Å; I210-F214 HydrophobicContact CG2-CD2 3.68Å; I210-F214 HydrophobicContact CG2-CE2 3.74Å; I210-F214 WeakPolarHBondContact O-CD2 3.49Å; I210-F214 PolarHBondContact O-N 3.22Å
211Q94.7Very high93.4Very high103 Ų10372 Ų7248%0.48136%0.356SS..Hα-helixtrans-56.6-47.2177.4178.5176.8-20.800112.3V207 S215V207-Q211 PolarHBondContact O-N 3.02Å; Q211-S215 WeakPolarHBondContact O-CB 3.34Å; Q211-S215 PolarHBondContact O-N 3.35Å
212V93.9Very high93Very high82 Ų8272 Ų7250%0.49735%0.35SS..Hα-helixtrans-65.5-39177.5170.70000111.2E208 K209 I210 N216E208-V212 WeakPolarHBondContact O-CB 3.4Å; E208-V212 WeakPolarHBondContact O-CG2 3.34Å; E208-V212 PolarHBondContact O-N 3.33Å; K209-V212 PolarHBondContact O-N 2.93Å; I210-V212 VanDerWaalsContact C-N 3.35Å; I210-V212 PolarHBondContact O-N 2.86Å; V212-N216 WeakPolarHBondContact CG1-ND2 3.49Å; V212-N216 WeakPolarHBondContact O-CB 3.44Å; V212-N216 VanDerWaalsContact O-CG 3.28Å; V212-N216 PolarHBondContact O-N 3.02Å; V212-N216 PolarHBondContact O-ND2 3.44Å
213W95.5Very high92Very high24 Ų2472.6 Ų72.69%0.09135%0.348CS..Hα-helixtrans-62.7-51.2177.1-174.199.8000111.2F173 L181 E182 F185 K209 I210 S215 N216 R217F173-W213 HydrophobicContact CE1-CB 4.46Å; F173-W213 AromaticContact CE1-CD1 3.91Å; F173-W213 HydrophobicContact CE1-CG 4.45Å; F173-W213 AromaticContact CE2-CD1 3.61Å; F173-W213 HydrophobicContact CZ-CB 4Å; F173-W213 AromaticContact CZ-CD1 3.56Å; F173-W213 HydrophobicContact CZ-CG 4.14Å; L181-W213 VanDerWaalsContact C-CH2 3.41Å; L181-W213 HydrophobicContact CB-CD2 3.99Å; L181-W213 HydrophobicContact CB-CE3 4.03Å; L181-W213 HydrophobicContact CB-CH2 3.59Å; L181-W213 HydrophobicContact CB-CZ2 3.51Å; L181-W213 HydrophobicContact CB-CZ3 3.84Å; L181-W213 HydrophobicContact CD1-CD2 3.91Å; L181-W213 HydrophobicContact CD1-CG 3.92Å; L181-W213 HydrophobicContact CD1-CZ2 4.49Å; L181-W213 HydrophobicContact CD2-CD2 4.35Å; L181-W213 HydrophobicContact CD2-CE3 4.23Å; L181-W213 HydrophobicContact CG-CD2 4.32Å; L181-W213 VanDerWaalsContact O-CH2 3.25Å; L181-W213 WeakPolarHBondContact O-CH2 3.35Å; L181-W213 WeakPolarHBondContact O-CZ3 3.37Å; E182-W213 HydrophobicContact CG-CH2 4.22Å; E182-W213 HydrophobicContact CG-CZ2 4.08Å; F185-W213 HydrophobicContact CB-CH2 4.03Å; F185-W213 HydrophobicContact CB-CZ3 4Å; F185-W213 HydrophobicContact CD2-CZ3 4.19Å; F185-W213 HydrophobicContact CG-CZ3 4.4Å; K209-W213 VanDerWaalsContact O-CB 3.29Å; K209-W213 WeakPolarHBondContact O-CB 3.49Å; K209-W213 PolarHBondContact O-N 3.31Å; I210-W213 PolarHBondContact O-N 3.44Å; I210-W213 VanDerWaalsContact O-N 3.12Å; W213-S215 PolarHBondContact O-N 2.94Å; W213-N216 PolarHBondContact O-N 3.48Å; W213-R217 HydrophobicContact CD2-CB 4.47Å; W213-R217 HydrophobicContact CE3-CB 4.12Å; W213-R217 HydrophobicContact CH2-CB 4.07Å; W213-R217 HydrophobicContact CH2-CG 3.75Å; W213-R217 HydrophobicContact CZ2-CB 4.44Å; W213-R217 HydrophobicContact CZ2-CG 4.29Å; W213-R217 HydrophobicContact CZ3-CB 3.91Å; W213-R217 HydrophobicContact CZ3-CG 3.96Å; W213-R217 WeakPolarHBondContact O-CB 3.35Å; W213-R217 PolarHBondContact O-N 3.14Å
214F96.9Very high90.8Very high2 Ų277.5 Ų77.51%0.00937%0.37CS..Hα-helixtrans-62.1-41.8179.1-89.1-93.6000112L181 A184 F185 N188 P191 L199 I210 N216 R217 R218L181-F214 HydrophobicContact CD2-CE2 4.12Å; A184-F214 HydrophobicContact CB-CZ 4.07Å; F185-F214 HydrophobicContact CB-CE1 4.13Å; F185-F214 AromaticContact CD2-CD1 3.79Å; F185-F214 HydrophobicContact CD2-CD1 3.79Å; F185-F214 AromaticContact CD2-CE1 3.9Å; F185-F214 HydrophobicContact CD2-CE1 3.9Å; F185-F214 HydrophobicContact CE2-CD1 4.49Å; N188-F214 WeakPolarHBondContact O-CE1 3.31Å; P191-F214 VanDerWaalsContact CD-CD1 3.45Å; P191-F214 HydrophobicContact CG-CD1 3.68Å; P191-F214 HydrophobicContact CG-CD2 4.03Å; P191-F214 HydrophobicContact CG-CE1 3.69Å; P191-F214 HydrophobicContact CG-CE2 4.06Å; P191-F214 HydrophobicContact CG-CG 3.86Å; P191-F214 HydrophobicContact CG-CZ 3.89Å; L199-F214 HydrophobicContact CD1-CE2 3.78Å; L199-F214 HydrophobicContact CD1-CZ 3.82Å; I210-F214 HydrophobicContact CG2-CD2 3.68Å; I210-F214 HydrophobicContact CG2-CE2 3.74Å; I210-F214 WeakPolarHBondContact O-CD2 3.49Å; I210-F214 PolarHBondContact O-N 3.22Å; F214-N216 PolarHBondContact O-N 3.4Å; F214-R217 PolarHBondContact O-N 3.13Å; F214-R218 WeakPolarHBondContact O-CB 3.36Å; F214-R218 WeakPolarHBondContact O-CG 3.28Å; F214-R218 PolarHBondContact O-N 3.17Å
215S94.8Very high89.2Confident60 Ų6075.8 Ų75.842%0.4237%0.366SS..Hα-helixtrans-58.9-48174.4-176.20000111.8Q211 W213 A219Q211-S215 WeakPolarHBondContact O-CB 3.34Å; Q211-S215 PolarHBondContact O-N 3.35Å; W213-S215 PolarHBondContact O-N 2.94Å; S215-A219 WeakPolarHBondContact O-CB 3.42Å; S215-A219 PolarHBondContact O-N 3.49Å
216N94.5Very high87.6Confident85 Ų8576.8 Ų76.846%0.45538%0.378SS..Hα-helixtrans-65.8-38.4176.9-75.3-38.2000112.6V212 W213 F214 A219 R220V212-N216 WeakPolarHBondContact CG1-ND2 3.49Å; V212-N216 WeakPolarHBondContact O-CB 3.44Å; V212-N216 VanDerWaalsContact O-CG 3.28Å; V212-N216 PolarHBondContact O-N 3.02Å; V212-N216 PolarHBondContact O-ND2 3.44Å; W213-N216 PolarHBondContact O-N 3.48Å; F214-N216 PolarHBondContact O-N 3.4Å; N216-A219 PolarHBondContact O-N 3.23Å; N216-R220 WeakPolarHBondContact O-CG 3.44Å; N216-R220 PolarHBondContact O-N 2.88Å
217R95Very high85.8Confident59 Ų5974.1 Ų74.122%0.22337%0.368CS..Hα-helixtrans-66.3-43.7178.7-176.764.8-175.588.8-5.1111.5F185 W213 F214 R220 S221F185-R217 HydrophobicContact CD1-CG 4.01Å; F185-R217 HydrophobicContact CD2-CB 4.13Å; F185-R217 HydrophobicContact CD2-CG 3.53Å; F185-R217 HydrophobicContact CE1-CG 4.01Å; F185-R217 HydrophobicContact CE2-CB 4Å; F185-R217 HydrophobicContact CE2-CG 3.53Å; F185-R217 HydrophobicContact CG-CG 3.79Å; F185-R217 HydrophobicContact CZ-CG 3.78Å; W213-R217 HydrophobicContact CD2-CB 4.47Å; W213-R217 HydrophobicContact CE3-CB 4.12Å; W213-R217 HydrophobicContact CH2-CB 4.07Å; W213-R217 HydrophobicContact CH2-CG 3.75Å; W213-R217 HydrophobicContact CZ2-CB 4.44Å; W213-R217 HydrophobicContact CZ2-CG 4.29Å; W213-R217 HydrophobicContact CZ3-CB 3.91Å; W213-R217 HydrophobicContact CZ3-CG 3.96Å; W213-R217 WeakPolarHBondContact O-CB 3.35Å; W213-R217 PolarHBondContact O-N 3.14Å; F214-R217 PolarHBondContact O-N 3.13Å; R217-R220 PolarHBondContact O-N 3.44Å; R217-S221 PolarHBondContact O-N 2.97Å
218R95Very high83.8Confident53 Ų5377.1 Ų77.120%0.238%0.383CS..Hα-helixtrans-61.3-42.9171.1-71.2-165-62.9-87.82111.6F185 A189 Y190 F214 R220 S221 R222F185-R218 HydrophobicContact CE2-CG 3.69Å; F185-R218 HydrophobicContact CZ-CG 4.16Å; A189-R218 WeakPolarHBondContact O-CD 3.44Å; A189-R218 PolarHBondContact O-NH1 2.8Å; Y190-R218 VanDerWaalsContact CZ-CD 3.44Å; F214-R218 WeakPolarHBondContact O-CB 3.36Å; F214-R218 WeakPolarHBondContact O-CG 3.28Å; F214-R218 PolarHBondContact O-N 3.17Å; R218-R220 PolarHBondContact O-N 3.35Å; R218-S221 PolarHBondContact O-N 3.05Å; R218-R222 PolarHBondContact O-N 2.86Å
219A89.6Confident81.5Confident28 Ų2875.1 Ų75.123%0.23138%0.381CS..Hα-helixtrans-62.7-30.5176.700000113.1S215 N216 K223S215-A219 WeakPolarHBondContact O-CB 3.42Å; S215-A219 PolarHBondContact O-N 3.49Å; N216-A219 PolarHBondContact O-N 3.23Å; A219-K223 WeakPolarHBondContact O-CD 3.17Å; A219-K223 WeakPolarHBondContact O-CG 3.4Å
220R87.2Confident79.7Confident170 Ų17077.3 Ų77.364%0.64240%0.396SS*.Hα-helixtrans-75.9-43.6171.8-69.8176.4-173.8-171.91.6112.1N216 R217 R218 R222 K223 Q224N216-R220 WeakPolarHBondContact O-CG 3.44Å; N216-R220 PolarHBondContact O-N 2.88Å; R217-R220 PolarHBondContact O-N 3.44Å; R218-R220 PolarHBondContact O-N 3.35Å; R220-R222 PolarHBondContact O-N 3.41Å; R220-K223 WeakPolarHBondContact O-CB 3.36Å; R220-K223 PolarHBondContact O-N 3.14Å; R220-Q224 PolarHBondContact O-N 3.38Å
221S88.6Confident77.4Confident38 Ų3881.8 Ų81.827%0.26643%0.427SS..Hα-helixtrans-59-45.4179.1171.90000112.3R217 R218 K223 Q224R217-S221 PolarHBondContact O-N 2.97Å; R218-S221 PolarHBondContact O-N 3.05Å; S221-K223 PolarHBondContact O-N 3.3Å; S221-K223 VanDerWaalsContact O-N 3.14Å; S221-Q224 PolarHBondContact O-N 3.39Å; S221-Q224 VanDerWaalsContact O-N 3.13Å
222R86.1Confident74.8Confident148 Ų14882.5 Ų82.556%0.55844%0.439SS*.Hα-helixtrans-60.2-25.5174.8-68-167.6-58.8-86.13.5114R218 R220R218-R222 PolarHBondContact O-N 2.86Å; R220-R222 PolarHBondContact O-N 3.41Å
223K73.9Confident72.2Confident117 Ų11788.5 Ų88.551%0.50945%0.453SS..Hα-helixtrans-81.6-23.5179.4-70174.9-175.8-176.40113.3A219 R220 S221 S227A219-K223 WeakPolarHBondContact O-CD 3.17Å; A219-K223 WeakPolarHBondContact O-CG 3.4Å; R220-K223 WeakPolarHBondContact O-CB 3.36Å; R220-K223 PolarHBondContact O-N 3.14Å; S221-K223 PolarHBondContact O-N 3.3Å; S221-K223 VanDerWaalsContact O-N 3.14Å; K223-S227 PolarHBondContact O-N 2.98Å; K223-S227 PolarHBondContact O-OG 3.36Å
224Q67.2Low69.4Low108 Ų10894.9 Ų94.951%0.50548%0.483SS..Hα-helixtrans-71.3-44.5176.2-70.5172.1-36.400109.8R220 S221 A226 S227 D228R220-Q224 PolarHBondContact O-N 3.38Å; S221-Q224 PolarHBondContact O-N 3.39Å; S221-Q224 VanDerWaalsContact O-N 3.13Å; Q224-A226 PolarHBondContact O-N 3.24Å; Q224-A226 VanDerWaalsContact O-N 3.13Å; Q224-S227 PolarHBondContact O-N 2.92Å; Q224-S227 VanDerWaalsContact O-N 3.08Å; Q224-S227 PolarHBondContact O-OG 2.99Å; Q224-D228 VanDerWaalsContact O-CG 3.31Å; Q224-D228 PolarHBondContact O-N 2.93Å
225L60Low66.7Low131 Ų131105.4 Ų105.469%0.68653%0.529SS*.Hα-helixtrans-59.8-27.7174.8-64.2167.4000113.5
226A58.5Low63.9Low48 Ų48106.7 Ų106.740%0.39754%0.539SS..Hα-helixtrans-88.9-17.1178.600000114.2Q224 S229Q224-A226 PolarHBondContact O-N 3.24Å; Q224-A226 VanDerWaalsContact O-N 3.13Å; A226-S229 PolarHBondContact O-OG 3.4Å
227S55Low61.2Low54 Ų54109.8 Ų109.838%0.37856%0.555SS.*Hα-helixtrans-82.3-33.9173.648.40000111.8K223 Q224 S229 I230K223-S227 PolarHBondContact O-N 2.98Å; K223-S227 PolarHBondContact O-OG 3.36Å; Q224-S227 PolarHBondContact O-N 2.92Å; Q224-S227 VanDerWaalsContact O-N 3.08Å; Q224-S227 PolarHBondContact O-OG 2.99Å; S227-S229 VanDerWaalsContact C-N 3.29Å; S227-S229 PolarHBondContact O-N 3.17Å; S227-I230 PolarHBondContact O-N 3.14Å
228D51.7Low58.5Low105 Ų105112.2 Ų112.256%0.56158%0.581SS**Hα-helixtrans-76.2-21.9-173.8-57.5-10.5000111.7Q224 S231Q224-D228 VanDerWaalsContact O-CG 3.31Å; Q224-D228 PolarHBondContact O-N 2.93Å; D228-S231 PolarHBondContact O-OG 3.22Å
229S47Very low55.8Low75 Ų75115.4 Ų115.452%0.52461%0.612SS.*THydrogen-bonded Turntrans-81.4-8174.656.20000114.7A226 S227A226-S229 PolarHBondContact O-OG 3.4Å; S227-S229 VanDerWaalsContact C-N 3.29Å; S227-S229 PolarHBondContact O-N 3.17Å
230I54.4Low53.1Low134 Ų134119.1 Ų119.169%0.68764%0.635SS**THydrogen-bonded Turntrans-100.3-18-179.3-74170.4000112.2S227 T232S227-I230 PolarHBondContact O-N 3.14Å; I230-T232 VanDerWaalsContact C-N 3.32Å; I230-T232 PolarHBondContact O-N 3.3Å
231S45.6Very low50.7Low94 Ų94123.2 Ų123.266%0.65765%0.65SS**THydrogen-bonded Turntrans-79.8-5.1-178.2440000115.4D228D228-S231 PolarHBondContact O-OG 3.22Å
232T41.8Very low48.6Very low118 Ų118130.5 Ų130.572%0.72468%0.683SS**THydrogen-bonded Turntrans-124.511-17449.70000115.1I230I230-T232 VanDerWaalsContact C-N 3.32Å; I230-T232 PolarHBondContact O-N 3.3Å
233R38.4Very low46.7Very low207 Ų207132.3 Ų132.378%0.78170%0.695SS**SBendtrans-119.499.9172.8-78.2-173.2170.5156.6-2.3112.2
234E37.5Very low45.1Very low158 Ų158135.9 Ų135.974%0.73871%0.713SS**  trans78.387.6134.3-64177.2173.300118.9S236E234-S236 PolarHBondContact O-N 2.78Å
235F38.8Very low44Very low223 Ų223138.9 Ų138.998%0.97873%0.727SS**SBendtrans-73.376.1138.8-116.9-95.5000108.5
236S37.5Very low43Very low88 Ų88139.7 Ų139.762%0.61573%0.732SS**  trans176.5143.6162.916.10000106.8E234E234-S236 PolarHBondContact O-N 2.78Å
237D37Very low42.2Very low150 Ų150143.2 Ų143.280%0.80275%0.751SS**  trans73.185.6-178.4-79.7-4.7000118.7S239D237-S239 PolarHBondContact O-N 3.42Å
238S38.7Very low41.5Very low109 Ų109148 Ų14876%0.76277%0.771SS**SBend-25.2127.2121.4-61.60000112.1
239S36.8Very low41.2Very low121 Ų121148.8 Ų148.885%0.84678%0.782SS**  trans97.962.6168.7-38.30000117.4D237D237-S239 PolarHBondContact O-N 3.42Å
240C33.8Very low40.8Very low106 Ų106153.7 Ų153.772%0.71679%0.794SS**  trans-152.865.5161.5-155.90000114.1
241W37.3Very low40.3Very low255 Ų255152.5 Ų152.597%0.96680%0.798SS**  trans-140.944.8147.6-5198.9000108.6F243W241-F243 PolarHBondContact O-N 3.28Å
242M43.7Very low39.8Very low191 Ų191154.4 Ų154.494%0.94180%0.8SS**  trans-72.8113.9162.3-101.5-170.7179.300107.1Q244M242-Q244 PolarHBondContact O-N 3.34Å
243F47.2Very low40.1Very low187 Ų187155 Ų15582%0.8280%0.803SS**  trans-39.1132.3164.7-89.4-105.1000110.7W241 Q245W241-F243 PolarHBondContact O-N 3.28Å; F243-Q245 PolarHBondContact O-N 3.46Å
244Q40.4Very low40Very low191 Ų191152.5 Ų152.589%0.89381%0.806SS**  trans-53.989.7153.8-90.6154.5-41.300108.9M242M242-Q244 PolarHBondContact O-N 3.34Å
245Q43.3Very low39.9Very low171 Ų171150.8 Ų150.880%0.79981%0.809SS**  trans-98.6104.1152.6-79.3179.5-35.200105.6F243 P247F243-Q245 PolarHBondContact O-N 3.46Å; Q245-P247 WeakPolarHBondContact O-CD 3.32Å
246L39.1Very low40.1Very low148 Ų148147.8 Ų147.878%0.77580%0.804SS**  trans-56.7124.3162.6-95.382.1000108.2
247P40.7Very low40.4Very low123 Ų123148.4 Ų148.480%0.79981%0.808SS**  trans-90.3121.8161.626.4-12.6000108.4Q245Q245-P247 WeakPolarHBondContact O-CD 3.32Å
248L41.4Very low41Very low154 Ų154146.8 Ų146.881%0.80680%0.803SS**  trans-111.7140159.8-74.2-179.4000109.6
249P44.1Very low41.3Very low121 Ų121148.4 Ų148.479%0.78680%0.804SS**  trans-86.7154.7-16035.5-36.2000113.7
250F40.3Very low41.7Very low179 Ų179147.5 Ų147.579%0.78580%0.803SS**  trans-41.6133.4169.1-144.3-107.3000114.3L252F250-L252 HydrophobicContact CE1-CD1 3.49Å; F250-L252 VanDerWaalsContact CE1-CD1 3.49Å; F250-L252 HydrophobicContact CE1-CG 3.8Å; F250-L252 HydrophobicContact CZ-CD1 3.95Å; F250-L252 HydrophobicContact CZ-CG 4.19Å
251S42.7Very low42.4Very low109 Ų109151.6 Ų151.676%0.76281%0.805SS**  trans-150.3109.6142.6-170.70000109.3
252L35.5Very low42.5Very low133 Ų133146.4 Ų146.470%0.69680%0.796SS**  trans-61.9125.3162.3-88.4159.3000108.9F250F250-L252 HydrophobicContact CE1-CD1 3.49Å; F250-L252 VanDerWaalsContact CE1-CD1 3.49Å; F250-L252 HydrophobicContact CE1-CG 3.8Å; F250-L252 HydrophobicContact CZ-CD1 3.95Å; F250-L252 HydrophobicContact CZ-CG 4.19Å
253T47.2Very low42.8Very low130 Ų130143.7 Ų143.780%0.79879%0.79SS**  trans-145.8128144.634.20000109
254D36.3Very low43Very low156 Ų156148.3 Ų148.383%0.83481%0.81SS**  trans-49.9146.5169.7-70.4-59.7000112.6
255C37.2Very low43.1Very low121 Ų121146.2 Ų146.282%0.81881%0.806SS**  178.4131.6102-135.20000110.9
256N41.6Very low43.1Very low160 Ų160144.9 Ų144.986%0.85681%0.806SS**  trans-46.7134.6160.9-66.1-56.1000111.1
257S43.8Very low43.4Very low101 Ų101144.7 Ų144.771%0.70681%0.808SS**  trans-175.6120.1130.8-137.20000112.6
258V49.5Very low43.5Very low117 Ų117146 Ų14671%0.70981%0.809SS**  trans51.9112.3140.1-55.90000119.8
259N44.6Very low43.7Very low143 Ų143145.5 Ų145.577%0.76581%0.809SS**  -162.585121.7-99-35.6000109.9
260A45.6Very low43.6Very low102 Ų102147.1 Ų147.184%0.84381%0.81SS**  trans-111.5102.5152.300000106.1
261Y48.8Very low43.9Very low191 Ų191144.9 Ų144.975%0.74981%0.812SS**  trans-106.3112.4161.6-88.8-84.1000107.6
262L39.4Very low44Very low147 Ų147147.6 Ų147.677%0.7782%0.816SS**  trans52.8113.6137.3-60.1170.3000118.8
263T49.8Very low44.7Very low133 Ų133148.8 Ų148.882%0.81683%0.826SS**  -172.1119.7107.210.40000111.7
264F52.2Low44.4Very low285 Ų285150.5 Ų150.5100%1.2583%0.829SS**  trans61.10174-79.4-84000119.8

Retrieved 264 of 264 residues in 330.9 ms (Link to these results)