A0A096N7H9_PAPAN Loading...

Regulator of G protein signaling 7

AlphaFold DB (A0A2K5UU01), UniProt , Accession A0A096N7H9, Species PAPAN (Papio anubis, Olive baboon), Gene RGS7, Length 469 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M94.3Very high96Very high82 Ų8271.4 Ų71.440%0.40436%0.361SS..  0-49.80-71.5-178.8179.400110.2D3 V4 I5 L58 M59 H62 Y64M1-D3 PolarHBondContact O-N 3.43Å; M1-V4 WeakPolarHBondContact O-CA 3.29Å; M1-V4 VanDerWaalsContact O-CB 3.31Å; M1-V4 WeakPolarHBondContact O-CB 3.44Å; M1-V4 PolarHBondContact O-N 2.94Å; M1-I5 PolarHBondContact O-N 3.27Å; M1-L58 HydrophobicContact CE-CB 4.31Å; M1-M59 HydrophobicContact CG-CG 4.08Å; M1-M59 HydrophobicContact SD-CG 4.18Å; M1-H62 HydrophobicContact SD-CB 4.19Å; M1-Y64 HydrophobicContact CB-CD2 3.93Å; M1-Y64 HydrophobicContact CB-CE2 3.44Å; M1-Y64 VanDerWaalsContact CB-CE2 3.44Å; M1-Y64 HydrophobicContact CG-CE2 4.1Å; M1-Y64 HydrophobicContact SD-CD2 4.03Å; M1-Y64 HydrophobicContact SD-CE2 3.53Å; M1-Y64 VanDerWaalsContact SD-CE2 3.53Å
2E96.6Very high95.5Very high32 Ų3280.9 Ų80.915%0.1540%0.398CS..Hα-helixtrans-52.6-44.5176.3-66.4173.2-166.600114.3V4 I5 A6 Y64 W90 S92E2-V4 PolarHBondContact O-N 3.31Å; E2-I5 CarbonylContact O-C 3.32Å; E2-I5 WeakPolarHBondContact O-CA 3.47Å; E2-I5 WeakPolarHBondContact O-CB 3.44Å; E2-I5 PolarHBondContact O-N 3.5Å; E2-A6 PolarHBondContact O-N 2.93Å; E2-Y64 HydrophobicContact CG-CD1 4.26Å; E2-Y64 HydrophobicContact CG-CE1 3.36Å; E2-W90 HydrophobicContact CB-CE3 4.31Å; E2-W90 HydrophobicContact CB-CH2 4.31Å; E2-W90 HydrophobicContact CB-CZ3 3.83Å; E2-W90 HydrophobicContact CG-CD2 4.17Å; E2-W90 HydrophobicContact CG-CE3 3.5Å; E2-W90 HydrophobicContact CG-CH2 4.26Å; E2-W90 HydrophobicContact CG-CZ3 3.55Å; E2-S92 WeakPolarHBondContact OE1-CB 3.39Å; E2-S92 PolarHBondContact OE1-OG 3.25Å
3D97.6Very high95.3Very high119 Ų11983.3 Ų83.364%0.63641%0.413SS*.Hα-helixtrans-61.6-30.5176.3-60.5-29.9000113.4M1 R7M1-D3 PolarHBondContact O-N 3.43Å; D3-R7 WeakPolarHBondContact O-CG 3.49Å; D3-R7 PolarHBondContact O-N 3.37Å; D3-R7 PolarHBondContact O-NE 2.95Å
4V97.8Very high95.2Very high21 Ų2178.7 Ų78.713%0.12740%0.398CS..Hα-helixtrans-71-44.5174-175.10000109M1 E2 A6 R7 M8 W39 L40 M59M1-V4 WeakPolarHBondContact O-CA 3.29Å; M1-V4 VanDerWaalsContact O-CB 3.31Å; M1-V4 WeakPolarHBondContact O-CB 3.44Å; M1-V4 PolarHBondContact O-N 2.94Å; E2-V4 PolarHBondContact O-N 3.31Å; V4-A6 VanDerWaalsContact C-N 3.33Å; V4-A6 PolarHBondContact O-N 3.09Å; V4-R7 PolarHBondContact O-N 3.26Å; V4-R7 VanDerWaalsContact O-N 3.16Å; V4-M8 HydrophobicContact CG1-CG 4.4Å; V4-M8 HydrophobicContact CG1-SD 3.98Å; V4-M8 VanDerWaalsContact O-CG 3.27Å; V4-M8 WeakPolarHBondContact O-CG 3.46Å; V4-M8 PolarHBondContact O-N 3.17Å; V4-W39 HydrophobicContact CG1-CH2 4.29Å; V4-W39 HydrophobicContact CG1-CZ3 3.8Å; V4-L40 HydrophobicContact CG1-CD2 4.02Å; V4-M59 HydrophobicContact CB-CE 3.8Å; V4-M59 HydrophobicContact CG1-CE 3.81Å; V4-M59 HydrophobicContact CG1-SD 4.23Å
5I97.9Very high95.3Very high0 Ų074.1 Ų74.10%037%0.374CS..Hα-helixtrans-60.2-41.6177.1-64.6-68.9000111.8M1 E2 R7 M8 Q9 M59 Y64 F65 F84 W90M1-I5 PolarHBondContact O-N 3.27Å; E2-I5 CarbonylContact O-C 3.32Å; E2-I5 WeakPolarHBondContact O-CA 3.47Å; E2-I5 WeakPolarHBondContact O-CB 3.44Å; E2-I5 PolarHBondContact O-N 3.5Å; I5-R7 VanDerWaalsContact C-N 3.33Å; I5-R7 PolarHBondContact O-N 2.77Å; I5-M8 HydrophobicContact CD1-SD 3.97Å; I5-M8 PolarHBondContact O-N 2.8Å; I5-Q9 WeakPolarHBondContact O-CG 3.3Å; I5-Q9 PolarHBondContact O-N 3.27Å; I5-M59 HydrophobicContact CD1-CE 3.48Å; I5-M59 VanDerWaalsContact CD1-CE 3.48Å; I5-M59 HydrophobicContact CG1-CE 3.67Å; I5-Y64 HydrophobicContact CD1-CG 4.38Å; I5-Y64 HydrophobicContact CG1-CD1 4.12Å; I5-Y64 HydrophobicContact CG1-CG 4.02Å; I5-F65 HydrophobicContact CD1-CD1 3.81Å; I5-F65 HydrophobicContact CD1-CE1 4.32Å; I5-F84 HydrophobicContact CD1-CD1 4.25Å; I5-F84 HydrophobicContact CD1-CE1 4.12Å; I5-F84 HydrophobicContact CG2-CD1 4.23Å; I5-F84 HydrophobicContact CG2-CE1 4.48Å; I5-W90 HydrophobicContact CG2-CZ2 3.94Å
6A96.5Very high95.1Very high62 Ų6273.3 Ų73.351%0.51238%0.376SS..Hα-helixtrans-59.3-44175.500000111.5E2 V4 Q9 D10E2-A6 PolarHBondContact O-N 2.93Å; V4-A6 VanDerWaalsContact C-N 3.33Å; V4-A6 PolarHBondContact O-N 3.09Å; A6-Q9 PolarHBondContact O-N 3.07Å; A6-D10 PolarHBondContact O-N 3.35Å
7R97.8Very high95.1Very high114 Ų11474.2 Ų74.243%0.4338%0.381SS..Hα-helixtrans-66.9-36.7175-69.8-177-70.1163.7-2.6112.8D3 V4 I5 Q9 D10 W39D3-R7 WeakPolarHBondContact O-CG 3.49Å; D3-R7 PolarHBondContact O-N 3.37Å; D3-R7 PolarHBondContact O-NE 2.95Å; V4-R7 PolarHBondContact O-N 3.26Å; V4-R7 VanDerWaalsContact O-N 3.16Å; I5-R7 VanDerWaalsContact C-N 3.33Å; I5-R7 PolarHBondContact O-N 2.77Å; R7-Q9 PolarHBondContact O-N 2.85Å; R7-D10 VanDerWaalsContact O-CB 3.31Å; R7-D10 WeakPolarHBondContact O-CB 3.33Å; R7-D10 PolarHBondContact O-N 3.03Å; R7-W39 HydrophobicContact CB-CH2 3.69Å; R7-W39 HydrophobicContact CB-CZ2 3.8Å
8M97.8Very high94.8Very high0 Ų079 Ų790%039%0.393CS..Hα-helixtrans-66.3-25175.7-67.8165.7100.700112.5V4 I5 G14 I15 I36 W39 L40 M59 F65 F84V4-M8 HydrophobicContact CG1-CG 4.4Å; V4-M8 HydrophobicContact CG1-SD 3.98Å; V4-M8 VanDerWaalsContact O-CG 3.27Å; V4-M8 WeakPolarHBondContact O-CG 3.46Å; V4-M8 PolarHBondContact O-N 3.17Å; I5-M8 HydrophobicContact CD1-SD 3.97Å; I5-M8 PolarHBondContact O-N 2.8Å; M8-G14 CarbonylContact O-C 3.29Å; M8-G14 WeakPolarHBondContact O-CA 3.48Å; M8-I15 HydrophobicContact CB-CD1 4.1Å; M8-I15 HydrophobicContact CB-CG1 4.33Å; M8-I15 HydrophobicContact CE-CD1 3.38Å; M8-I15 HydrophobicContact CG-CD1 4.08Å; M8-I15 PolarHBondContact O-N 3.36Å; M8-I36 HydrophobicContact CE-CB 4.45Å; M8-I36 HydrophobicContact CE-CG2 3.61Å; M8-W39 HydrophobicContact CB-CH2 4.47Å; M8-W39 HydrophobicContact CB-CZ2 4.43Å; M8-W39 HydrophobicContact CE-CE3 4.26Å; M8-W39 HydrophobicContact CG-CD2 3.82Å; M8-W39 HydrophobicContact CG-CE3 3.45Å; M8-W39 VanDerWaalsContact CG-CE3 3.45Å; M8-W39 HydrophobicContact CG-CH2 3.55Å; M8-W39 HydrophobicContact CG-CZ2 3.88Å; M8-W39 HydrophobicContact CG-CZ3 3.32Å; M8-W39 HydrophobicContact SD-CE3 4.33Å; M8-W39 HydrophobicContact SD-CZ3 4.21Å; M8-L40 HydrophobicContact CE-CD2 4.42Å; M8-M59 HydrophobicContact SD-CE 4.08Å; M8-F65 HydrophobicContact CE-CE1 4.43Å; M8-F84 HydrophobicContact CB-CE1 4.09Å; M8-F84 HydrophobicContact CB-CZ 3.8Å
9Q95.9Very high94.7Very high90 Ų9078.6 Ų78.642%0.42140%0.396SS..THydrogen-bonded Turntrans-94.23.4177.4-69.3-177.654.300113.4I5 A6 R7 E11 F84I5-Q9 WeakPolarHBondContact O-CG 3.3Å; I5-Q9 PolarHBondContact O-N 3.27Å; A6-Q9 PolarHBondContact O-N 3.07Å; R7-Q9 PolarHBondContact O-N 2.85Å; Q9-E11 PolarHBondContact O-N 3.33Å; Q9-F84 HydrophobicContact CG-CD1 4.31Å; Q9-F84 HydrophobicContact CG-CD2 3.58Å; Q9-F84 HydrophobicContact CG-CE1 4.22Å; Q9-F84 HydrophobicContact CG-CE2 3.48Å; Q9-F84 VanDerWaalsContact CG-CE2 3.48Å; Q9-F84 HydrophobicContact CG-CG 4.02Å; Q9-F84 HydrophobicContact CG-CZ 3.83Å
10D95.4Very high94.4Very high70 Ų7077 Ų7737%0.37439%0.39SS..  trans-59.4136.5177.2-178.3-108.4000111.3A6 R7 K12 N13 G14A6-D10 PolarHBondContact O-N 3.35Å; R7-D10 VanDerWaalsContact O-CB 3.31Å; R7-D10 WeakPolarHBondContact O-CB 3.33Å; R7-D10 PolarHBondContact O-N 3.03Å; D10-K12 PolarHBondContact O-N 3.44Å; D10-K12 PolarHBondContact OD1-N 3.4Å; D10-K12 VanDerWaalsContact OD1-N 3.13Å; D10-N13 WeakPolarHBondContact OD1-CB 3.22Å; D10-N13 PolarHBondContact OD1-N 2.91Å; D10-N13 PolarHBondContact OD1-ND2 3.44Å; D10-G14 VanDerWaalsContact O-CA 3.22Å; D10-G14 WeakPolarHBondContact O-CA 3.47Å; D10-G14 PolarHBondContact O-N 3.05Å
11E88.7Confident94.1Very high195 Ų19581 Ų8191%0.91141%0.405SS*.THydrogen-bonded Turntrans-64.1-26.2-173.4-64.4-176.6166.600113.4Q9Q9-E11 PolarHBondContact O-N 3.33Å
12K90.2Very high93.5Very high186 Ų18680.3 Ų80.381%0.80941%0.408SS*.THydrogen-bonded Turntrans-108.2-40.7-174.4-65.8-177.8-178.7177.20112.9D10D10-K12 PolarHBondContact O-N 3.44Å; D10-K12 PolarHBondContact OD1-N 3.4Å; D10-K12 VanDerWaalsContact OD1-N 3.13Å
13N92.1Very high92.8Very high112 Ų11288.7 Ų88.760%0.59944%0.444SS*.THydrogen-bonded Turntrans-111.8-1-171.6-52.8-73.6000113D10 W39D10-N13 WeakPolarHBondContact OD1-CB 3.22Å; D10-N13 PolarHBondContact OD1-N 2.91Å; D10-N13 PolarHBondContact OD1-ND2 3.44Å; N13-W39 PolarHBondContact O-NE1 3.02Å
14G94.1Very high91.8Very high19 Ų1990.6 Ų90.620%0.19645%0.453CS..SBendtrans-76.1-172.7179.300000113.9M8 D10M8-G14 CarbonylContact O-C 3.29Å; M8-G14 WeakPolarHBondContact O-CA 3.48Å; D10-G14 VanDerWaalsContact O-CA 3.22Å; D10-G14 WeakPolarHBondContact O-CA 3.47Å; D10-G14 PolarHBondContact O-N 3.05Å
15I96.4Very high90.9Very high9 Ų991.7 Ų91.75%0.04646%0.462CS..  trans-78.9134.6178.2-63.8178.1000109.1M8 I17 F31 D35 I36 W39M8-I15 HydrophobicContact CB-CD1 4.1Å; M8-I15 HydrophobicContact CB-CG1 4.33Å; M8-I15 HydrophobicContact CE-CD1 3.38Å; M8-I15 HydrophobicContact CG-CD1 4.08Å; M8-I15 PolarHBondContact O-N 3.36Å; I15-I17 PolarHBondContact O-N 3.09Å; I15-F31 HydrophobicContact CG2-CB 3.58Å; I15-F31 HydrophobicContact CG2-CD2 4.14Å; I15-F31 HydrophobicContact CG2-CG 3.89Å; I15-D35 HydrophobicContact CG2-CB 3.9Å; I15-I36 HydrophobicContact CD1-CB 4.32Å; I15-I36 HydrophobicContact CD1-CG1 3.93Å; I15-W39 HydrophobicContact CD1-CB 4.05Å; I15-W39 HydrophobicContact CD1-CG 4.13Å; I15-W39 HydrophobicContact CG1-CB 3.78Å; I15-W39 HydrophobicContact CG1-CD2 4.25Å; I15-W39 HydrophobicContact CG1-CG 3.6Å
16P93.1Very high90.3Very high61 Ų6197.4 Ų97.440%0.39649%0.487SS..  trans-68.1104.9-179.127.6-34.9000111.7
17I94Very high89.8Confident90 Ų9095.8 Ų95.846%0.46247%0.47SS..  trans-79.8124.7175.8-54.9179.6000109.7I15 F31 F84I15-I17 PolarHBondContact O-N 3.09Å; I17-F31 HydrophobicContact CG1-CD1 4.13Å; I17-F84 HydrophobicContact CD1-CD2 4.22Å; I17-F84 HydrophobicContact CD1-CE2 4.1Å
18R91.1Very high89.5Confident160 Ų16091.1 Ų91.160%0.60445%0.454SS*.EExtended strand (participates in β ladder)trans-122.9159.8-175.8-60.5-179.2-174.6179.83.4112S29 V30R18-S29 PolarHBondContact O-N 2.98Å; R18-V30 PolarHBondContact N-O 3.35Å; R18-V30 PolarHBondContact O-N 3.45Å
19T91.4Very high89.2Confident72 Ų7293.8 Ų93.844%0.44247%0.473SS..EExtended strand (participates in β ladder)trans-106.2113.2165.6-66.60000108.9K26 I27T19-K26 HydrophobicContact CG2-CD 4.3Å; T19-K26 HydrophobicContact CG2-CG 3.77Å; T19-I27 CarbonylContact C-O 3.57Å; T19-I27 WeakPolarHBondContact CA-O 3.49Å
20V88.9Confident89.1Confident46 Ų4689.6 Ų89.628%0.27945%0.453SS..EExtended strand (participates in β ladder)trans-89.5128.4-178-177.60000109.3K26 I27 V30 F81V20-K26 WeakPolarHBondContact O-CA 3.29Å; V20-I27 PolarHBondContact N-O 2.96Å; V20-I27 PolarHBondContact O-N 3.46Å; V20-V30 HydrophobicContact CG2-CG2 3.8Å; V20-F81 HydrophobicContact CB-CZ 4.3Å; V20-F81 HydrophobicContact CG1-CE2 4.2Å; V20-F81 HydrophobicContact CG1-CZ 3.99Å; V20-F81 HydrophobicContact CG2-CD1 4.41Å; V20-F81 HydrophobicContact CG2-CE1 3.72Å; V20-F81 HydrophobicContact CG2-CE2 4.32Å; V20-F81 HydrophobicContact CG2-CZ 3.68Å
21K87.9Confident89.2Confident161 Ų16186.4 Ų86.470%0.744%0.436SS*.EExtended strand (participates in β ladder)trans-111.7130.5176.8-68.6179.3-176.6175.50109.5K26K21-K26 HydrophobicContact CG-CD 4.4Å; K21-K26 HydrophobicContact CG-CG 4.03Å
22S83.2Confident89.6Confident68 Ų6877.9 Ų77.948%0.47640%0.398SS..  trans-126.2169.9170.364.90000109.1L24 S25S22-L24 PolarHBondContact O-N 2.97Å; S22-S25 PolarHBondContact N-O 3.08Å; S22-S25 PolarHBondContact O-N 3.46Å; S22-S25 PolarHBondContact OG-N 3.35Å; S22-S25 PolarHBondContact OG-O 3.42Å; S22-S25 PolarHBondContact OG-OG 3.11Å
23F80.2Confident90Very high208 Ų20869 Ų6991%0.91236%0.359SS*.SBendtrans-55.7-37.8177.2-177.9-104.4000112.8
24L77Confident90.3Very high158 Ų15865.5 Ų65.583%0.82734%0.343SS*.SBendtrans-96.9-18.7-175.9-64.4174000114.1S22S22-L24 PolarHBondContact O-N 2.97Å
25S78.9Confident90.5Very high44 Ų4466.9 Ų66.931%0.30835%0.346SS..  trans-155.4146-171.973.10000114.5S22S22-S25 PolarHBondContact N-O 3.08Å; S22-S25 PolarHBondContact O-N 3.46Å; S22-S25 PolarHBondContact OG-N 3.35Å; S22-S25 PolarHBondContact OG-O 3.42Å; S22-S25 PolarHBondContact OG-OG 3.11Å
26K85.6Confident90.6Very high120 Ų12066.5 Ų66.552%0.52234%0.344SS..EExtended strand (participates in β ladder)trans-109.9118.7166.2-178.1177.5178.9-170.10108.2T19 V20 K21T19-K26 HydrophobicContact CG2-CD 4.3Å; T19-K26 HydrophobicContact CG2-CG 3.77Å; V20-K26 WeakPolarHBondContact O-CA 3.29Å; K21-K26 HydrophobicContact CG-CD 4.4Å; K21-K26 HydrophobicContact CG-CG 4.03Å
27I86.6Confident90.8Very high29 Ų2963.6 Ų63.615%0.14933%0.325CS..EExtended strand (participates in β ladder)trans-111.3105.4-178.7-54.5179.8000108.1T19 V20 V30 I68T19-I27 CarbonylContact C-O 3.57Å; T19-I27 WeakPolarHBondContact CA-O 3.49Å; V20-I27 PolarHBondContact N-O 2.96Å; V20-I27 PolarHBondContact O-N 3.46Å; I27-V30 HydrophobicContact CG2-CG1 3.64Å; I27-V30 HydrophobicContact CG2-CG2 4.28Å; I27-I68 HydrophobicContact CD1-CD1 3.96Å; I27-I68 HydrophobicContact CG2-CD1 3.63Å
28P90.6Very high91Very high16 Ų1664.5 Ų64.510%0.10433%0.328CS..EExtended strand (participates in β ladder)trans-78.3157.2179.437.4-41.8000111.8R83 I158 I162P28-R83 PolarHBondContact O-NH2 2.69Å; P28-I158 HydrophobicContact CB-CG2 4.14Å; P28-I158 HydrophobicContact CG-CG2 3.68Å; P28-I162 HydrophobicContact CG-CD1 3.93Å; P28-I162 HydrophobicContact CG-CG1 4.2Å
29S91Very high91.3Very high56 Ų5657.8 Ų57.839%0.39230%0.302SS..EExtended strand (participates in β ladder)trans5162.8164.9-49.10000113.7R18 R83R18-S29 PolarHBondContact O-N 2.98Å; S29-R83 PolarHBondContact O-NE 3.19Å; S29-R83 VanDerWaalsContact O-NE 3.14Å
30V95.6Very high91.7Very high1 Ų154.4 Ų54.41%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-134.2159.1177.5-65.80000111.8R18 V20 I27 I68 F81 Y82R18-V30 PolarHBondContact N-O 3.35Å; R18-V30 PolarHBondContact O-N 3.45Å; V20-V30 HydrophobicContact CG2-CG2 3.8Å; I27-V30 HydrophobicContact CG2-CG1 3.64Å; I27-V30 HydrophobicContact CG2-CG2 4.28Å; V30-I68 HydrophobicContact CG1-CD1 4.1Å; V30-I68 HydrophobicContact CG1-CG2 4Å; V30-F81 HydrophobicContact CB-CB 4.13Å; V30-F81 HydrophobicContact CB-CD1 4.31Å; V30-F81 HydrophobicContact CB-CG 4.41Å; V30-F81 HydrophobicContact CG1-CB 4.36Å; V30-F81 HydrophobicContact CG2-CB 4.43Å; V30-F81 HydrophobicContact CG2-CD1 3.96Å; V30-F81 HydrophobicContact CG2-CG 4.2Å; V30-Y82 VanDerWaalsContact CA-O 3.3Å; V30-Y82 WeakPolarHBondContact CA-O 2.98Å
31F97Very high92.1Very high4 Ų454 Ų542%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-139.1157.7174.940.1-87.8000109I15 I17 I36 F65 F81 Y82 F84I15-F31 HydrophobicContact CG2-CB 3.58Å; I15-F31 HydrophobicContact CG2-CD2 4.14Å; I15-F31 HydrophobicContact CG2-CG 3.89Å; I17-F31 HydrophobicContact CG1-CD1 4.13Å; F31-I36 HydrophobicContact CD2-CD1 3.68Å; F31-I36 HydrophobicContact CD2-CG1 3.66Å; F31-I36 HydrophobicContact CE2-CD1 3.55Å; F31-I36 HydrophobicContact CE2-CG1 3.81Å; F31-F65 HydrophobicContact CZ-CB 4.35Å; F31-F81 WeakPolarHBondContact O-CA 3.3Å; F31-Y82 PolarHBondContact N-O 3.27Å; F31-Y82 PolarHBondContact O-N 3.26Å; F31-F84 HydrophobicContact CD1-CD2 4.4Å; F31-F84 HydrophobicContact CD1-CE2 4.09Å; F31-F84 HydrophobicContact CE1-CD1 4.38Å; F31-F84 AromaticContact CE1-CD2 3.36Å; F31-F84 HydrophobicContact CE1-CD2 3.36Å; F31-F84 HydrophobicContact CE1-CE1 4.38Å; F31-F84 AromaticContact CE1-CE2 3.34Å; F31-F84 HydrophobicContact CE1-CE2 3.34Å; F31-F84 AromaticContact CE1-CG 3.89Å; F31-F84 HydrophobicContact CE1-CG 3.89Å; F31-F84 AromaticContact CE1-CZ 3.88Å; F31-F84 HydrophobicContact CE1-CZ 3.88Å; F31-F84 HydrophobicContact CE2-CE1 4.35Å; F31-F84 HydrophobicContact CE2-CE2 4.49Å; F31-F84 HydrophobicContact CE2-CZ 4.21Å; F31-F84 AromaticContact CZ-CD1 3.81Å; F31-F84 HydrophobicContact CZ-CD1 3.81Å; F31-F84 AromaticContact CZ-CD2 3.65Å; F31-F84 HydrophobicContact CZ-CD2 3.65Å; F31-F84 AromaticContact CZ-CE1 3.75Å; F31-F84 HydrophobicContact CZ-CE1 3.75Å; F31-F84 AromaticContact CZ-CE2 3.58Å; F31-F84 HydrophobicContact CZ-CE2 3.58Å; F31-F84 AromaticContact CZ-CG 3.75Å; F31-F84 HydrophobicContact CZ-CG 3.75Å; F31-F84 AromaticContact CZ-CZ 3.62Å; F31-F84 HydrophobicContact CZ-CZ 3.62Å
32S97.4Very high92.6Very high15 Ų1554.4 Ų54.411%0.10528%0.279CS..EExtended strand (participates in β ladder)trans-81.9156.9-178.571.90000111.8S34 D35 I36 T80S32-S34 VanDerWaalsContact C-N 3.32Å; S32-S34 PolarHBondContact OG-OG 3.02Å; S32-S34 VanDerWaalsContact OG-OG 3.06Å; S32-D35 WeakPolarHBondContact CB-OD2 3.29Å; S32-D35 PolarHBondContact N-OD2 3.13Å; S32-D35 PolarHBondContact O-N 3.27Å; S32-D35 PolarHBondContact OG-N 3.06Å; S32-D35 VanDerWaalsContact OG-N 3.13Å; S32-D35 PolarHBondContact OG-OD2 2.95Å; S32-I36 PolarHBondContact O-N 2.88Å; S32-T80 CarbonylContact C-O 3.36Å; S32-T80 WeakPolarHBondContact CA-O 3.46Å
33G98Very high93.3Very high0 Ų054 Ų540%027%0.272CS..Hα-helixtrans-61.3-4217400000112.1D35 I36 V37 K76 D78 T80G33-D35 VanDerWaalsContact C-N 3.3Å; G33-D35 PolarHBondContact O-N 3.4Å; G33-I36 WeakPolarHBondContact O-CB 3.41Å; G33-I36 PolarHBondContact O-N 2.95Å; G33-I36 VanDerWaalsContact O-N 3.09Å; G33-V37 PolarHBondContact O-N 3.45Å; G33-V37 VanDerWaalsContact O-N 3.13Å; G33-K76 CarbonylContact C-O 3.47Å; G33-K76 VanDerWaalsContact CA-O 3.25Å; G33-K76 WeakPolarHBondContact CA-O 3.46Å; G33-D78 PolarHBondContact N-O 2.89Å; G33-T80 PolarHBondContact N-O 2.86Å
34S97.9Very high94.1Very high38 Ų3846.5 Ų46.527%0.26624%0.241SC..Hα-helixtrans-60.8-35.6174.754.90000113.5S32 I36 V37 Q38 D77 D78S32-S34 VanDerWaalsContact C-N 3.32Å; S32-S34 PolarHBondContact OG-OG 3.02Å; S32-S34 VanDerWaalsContact OG-OG 3.06Å; S34-I36 VanDerWaalsContact C-N 3.27Å; S34-I36 PolarHBondContact O-N 3.33Å; S34-V37 PolarHBondContact O-N 3.3Å; S34-Q38 WeakPolarHBondContact O-CB 3.42Å; S34-Q38 VanDerWaalsContact O-CG 3.25Å; S34-Q38 WeakPolarHBondContact O-CG 3.4Å; S34-Q38 PolarHBondContact O-N 2.88Å; S34-D77 VanDerWaalsContact CA-OD1 3.29Å; S34-D77 WeakPolarHBondContact CA-OD1 3.47Å; S34-D78 PolarHBondContact N-O 3.47Å
35D97.9Very high95.1Very high49 Ų4944.7 Ų44.726%0.26224%0.237SC..Hα-helixtrans-63.5-36.1175.9-64-44.8000111.4I15 S32 G33 W39I15-D35 HydrophobicContact CG2-CB 3.9Å; S32-D35 WeakPolarHBondContact CB-OD2 3.29Å; S32-D35 PolarHBondContact N-OD2 3.13Å; S32-D35 PolarHBondContact O-N 3.27Å; S32-D35 PolarHBondContact OG-N 3.06Å; S32-D35 VanDerWaalsContact OG-N 3.13Å; S32-D35 PolarHBondContact OG-OD2 2.95Å; G33-D35 VanDerWaalsContact C-N 3.3Å; G33-D35 PolarHBondContact O-N 3.4Å; D35-W39 WeakPolarHBondContact O-CB 3.29Å; D35-W39 PolarHBondContact O-N 2.91Å
36I98.3Very high96Very high0 Ų043.4 Ų43.40%023%0.226CC..Hα-helixtrans-65.9-50.5177-61.5164.1000110.3M8 I15 F31 S32 G33 S34 W39 L40 F65 L75 Y82M8-I36 HydrophobicContact CE-CB 4.45Å; M8-I36 HydrophobicContact CE-CG2 3.61Å; I15-I36 HydrophobicContact CD1-CB 4.32Å; I15-I36 HydrophobicContact CD1-CG1 3.93Å; F31-I36 HydrophobicContact CD2-CD1 3.68Å; F31-I36 HydrophobicContact CD2-CG1 3.66Å; F31-I36 HydrophobicContact CE2-CD1 3.55Å; F31-I36 HydrophobicContact CE2-CG1 3.81Å; S32-I36 PolarHBondContact O-N 2.88Å; G33-I36 WeakPolarHBondContact O-CB 3.41Å; G33-I36 PolarHBondContact O-N 2.95Å; G33-I36 VanDerWaalsContact O-N 3.09Å; S34-I36 VanDerWaalsContact C-N 3.27Å; S34-I36 PolarHBondContact O-N 3.33Å; I36-W39 PolarHBondContact O-N 3.36Å; I36-L40 HydrophobicContact CG2-CD1 3.93Å; I36-L40 HydrophobicContact CG2-CG 4.45Å; I36-L40 VanDerWaalsContact O-CG 3.32Å; I36-L40 WeakPolarHBondContact O-CG 3.49Å; I36-L40 PolarHBondContact O-N 2.87Å; I36-F65 HydrophobicContact CD1-CD2 4.08Å; I36-F65 HydrophobicContact CD1-CE2 3.88Å; I36-F65 HydrophobicContact CD1-CZ 4.36Å; I36-F65 HydrophobicContact CG2-CZ 4.03Å; I36-L75 HydrophobicContact CB-CD1 4.19Å; I36-L75 HydrophobicContact CB-CD2 4.24Å; I36-L75 HydrophobicContact CD1-CD1 3.65Å; I36-L75 HydrophobicContact CG2-CD1 4.32Å; I36-L75 HydrophobicContact CG2-CD2 3.69Å; I36-Y82 HydrophobicContact CD1-CD1 4.49Å; I36-Y82 HydrophobicContact CD1-CD2 3.9Å; I36-Y82 HydrophobicContact CD1-CG 3.84Å
37V98.4Very high96.6Very high0 Ų046.8 Ų46.80%024%0.244CC..Hα-helixtrans-60.5-49-178.3177.40000110.3G33 S34 W39 L40 I41 A52 L53 L75 D77G33-V37 PolarHBondContact O-N 3.45Å; G33-V37 VanDerWaalsContact O-N 3.13Å; S34-V37 PolarHBondContact O-N 3.3Å; V37-W39 VanDerWaalsContact C-N 3.33Å; V37-W39 PolarHBondContact O-N 3.25Å; V37-L40 PolarHBondContact O-N 3.14Å; V37-I41 HydrophobicContact CG1-CD1 3.9Å; V37-I41 WeakPolarHBondContact O-CG1 3.49Å; V37-I41 PolarHBondContact O-N 3.17Å; V37-A52 HydrophobicContact CG1-CB 4.38Å; V37-L53 HydrophobicContact CG2-CB 4.47Å; V37-L53 HydrophobicContact CG2-CD1 3.92Å; V37-L75 HydrophobicContact CG2-CD2 3.75Å; V37-L75 HydrophobicContact CG2-CG 4.25Å; V37-D77 HydrophobicContact CG2-CB 4.04Å
38Q98.1Very high97.1Very high109 Ų10949.1 Ų49.151%0.50926%0.257SS..Hα-helixtrans-63.9-37.5178.7-66.6-58.7-42.300112.5S34 K42S34-Q38 WeakPolarHBondContact O-CB 3.42Å; S34-Q38 VanDerWaalsContact O-CG 3.25Å; S34-Q38 WeakPolarHBondContact O-CG 3.4Å; S34-Q38 PolarHBondContact O-N 2.88Å; Q38-K42 WeakPolarHBondContact O-CB 3.26Å; Q38-K42 PolarHBondContact O-N 2.9Å; Q38-K42 VanDerWaalsContact O-N 3.07Å
39W98.4Very high97.4Very high20 Ų2051.7 Ų51.78%0.07627%0.273CS..Hα-helixtrans-64.2-42.2175.2-172.798.7000111.5V4 R7 M8 N13 I15 D35 I36 V37 K42 N43V4-W39 HydrophobicContact CG1-CH2 4.29Å; V4-W39 HydrophobicContact CG1-CZ3 3.8Å; R7-W39 HydrophobicContact CB-CH2 3.69Å; R7-W39 HydrophobicContact CB-CZ2 3.8Å; M8-W39 HydrophobicContact CB-CH2 4.47Å; M8-W39 HydrophobicContact CB-CZ2 4.43Å; M8-W39 HydrophobicContact CE-CE3 4.26Å; M8-W39 HydrophobicContact CG-CD2 3.82Å; M8-W39 HydrophobicContact CG-CE3 3.45Å; M8-W39 VanDerWaalsContact CG-CE3 3.45Å; M8-W39 HydrophobicContact CG-CH2 3.55Å; M8-W39 HydrophobicContact CG-CZ2 3.88Å; M8-W39 HydrophobicContact CG-CZ3 3.32Å; M8-W39 HydrophobicContact SD-CE3 4.33Å; M8-W39 HydrophobicContact SD-CZ3 4.21Å; N13-W39 PolarHBondContact O-NE1 3.02Å; I15-W39 HydrophobicContact CD1-CB 4.05Å; I15-W39 HydrophobicContact CD1-CG 4.13Å; I15-W39 HydrophobicContact CG1-CB 3.78Å; I15-W39 HydrophobicContact CG1-CD2 4.25Å; I15-W39 HydrophobicContact CG1-CG 3.6Å; D35-W39 WeakPolarHBondContact O-CB 3.29Å; D35-W39 PolarHBondContact O-N 2.91Å; I36-W39 PolarHBondContact O-N 3.36Å; V37-W39 VanDerWaalsContact C-N 3.33Å; V37-W39 PolarHBondContact O-N 3.25Å; W39-K42 PolarHBondContact O-N 3.35Å; W39-N43 HydrophobicContact CD2-CB 4.24Å; W39-N43 VanDerWaalsContact CE2-ND2 3.29Å; W39-N43 HydrophobicContact CE3-CB 4.23Å; W39-N43 HydrophobicContact CH2-CB 3.95Å; W39-N43 HydrophobicContact CZ2-CB 3.98Å; W39-N43 HydrophobicContact CZ3-CB 4.08Å; W39-N43 PolarHBondContact NE1-ND2 3.42Å; W39-N43 WeakPolarHBondContact O-CB 3.41Å; W39-N43 PolarHBondContact O-N 3.14Å; W39-N43 PolarHBondContact O-ND2 3.27Å
40L98.4Very high97.8Very high0 Ų053.7 Ų53.70%028%0.283CS..Hα-helixtrans-64.6-47.9177.6-70169.1000111.5V4 M8 I36 V37 K42 N43 L44 A52V4-L40 HydrophobicContact CG1-CD2 4.02Å; M8-L40 HydrophobicContact CE-CD2 4.42Å; I36-L40 HydrophobicContact CG2-CD1 3.93Å; I36-L40 HydrophobicContact CG2-CG 4.45Å; I36-L40 VanDerWaalsContact O-CG 3.32Å; I36-L40 WeakPolarHBondContact O-CG 3.49Å; I36-L40 PolarHBondContact O-N 2.87Å; V37-L40 PolarHBondContact O-N 3.14Å; L40-K42 VanDerWaalsContact C-N 3.31Å; L40-K42 PolarHBondContact O-N 3.39Å; L40-N43 PolarHBondContact O-N 3.06Å; L40-L44 HydrophobicContact CD2-CD1 3.7Å; L40-L44 HydrophobicContact CD2-CG 4.47Å; L40-L44 VanDerWaalsContact O-CB 3.28Å; L40-L44 WeakPolarHBondContact O-CB 3.27Å; L40-L44 PolarHBondContact O-N 3.48Å; L40-A52 HydrophobicContact CB-CB 4.22Å; L40-A52 WeakPolarHBondContact CD1-O 3.12Å
41I98.4Very high97.9Very high38 Ų3859.1 Ų59.120%0.19531%0.308CS..Hα-helixtrans-52.1-51.6175.7-71.5170.6000110.4V37 T45 I46 P49 A52V37-I41 HydrophobicContact CG1-CD1 3.9Å; V37-I41 WeakPolarHBondContact O-CG1 3.49Å; V37-I41 PolarHBondContact O-N 3.17Å; I41-T45 VanDerWaalsContact O-CA 3.32Å; I41-T45 WeakPolarHBondContact O-CA 3.5Å; I41-T45 PolarHBondContact O-N 2.84Å; I41-T45 VanDerWaalsContact O-N 3.1Å; I41-I46 PolarHBondContact O-N 2.86Å; I41-I46 VanDerWaalsContact O-N 3.11Å; I41-P49 HydrophobicContact CD1-CB 4.07Å; I41-P49 HydrophobicContact CD1-CG 4.33Å; I41-A52 HydrophobicContact CD1-CB 4.3Å; I41-A52 HydrophobicContact CG1-CB 3.51Å
42K97.8Very high98Very high170 Ų17059 Ų5974%0.73931%0.307SS*.Hα-helixtrans-69.8-46.5-176-176.9-178.1175.5-1750113.5Q38 W39 L40Q38-K42 WeakPolarHBondContact O-CB 3.26Å; Q38-K42 PolarHBondContact O-N 2.9Å; Q38-K42 VanDerWaalsContact O-N 3.07Å; W39-K42 PolarHBondContact O-N 3.35Å; L40-K42 VanDerWaalsContact C-N 3.31Å; L40-K42 PolarHBondContact O-N 3.39Å
43N97.7Very high98Very high59 Ų5960.7 Ų60.732%0.31632%0.315SS..Hα-helixtrans-89.6-17.4-169.3-69.7-86.3000113.8W39 L40W39-N43 HydrophobicContact CD2-CB 4.24Å; W39-N43 VanDerWaalsContact CE2-ND2 3.29Å; W39-N43 HydrophobicContact CE3-CB 4.23Å; W39-N43 HydrophobicContact CH2-CB 3.95Å; W39-N43 HydrophobicContact CZ2-CB 3.98Å; W39-N43 HydrophobicContact CZ3-CB 4.08Å; W39-N43 PolarHBondContact NE1-ND2 3.42Å; W39-N43 WeakPolarHBondContact O-CB 3.41Å; W39-N43 PolarHBondContact O-N 3.14Å; W39-N43 PolarHBondContact O-ND2 3.27Å; L40-N43 PolarHBondContact O-N 3.06Å
44L97.7Very high98Very high50 Ų5066.1 Ų66.126%0.26234%0.34SS..Hα-helixtrans-108.30.7174.2-54.3-177.6000112.6L40 I46 L55L40-L44 HydrophobicContact CD2-CD1 3.7Å; L40-L44 HydrophobicContact CD2-CG 4.47Å; L40-L44 VanDerWaalsContact O-CB 3.28Å; L40-L44 WeakPolarHBondContact O-CB 3.27Å; L40-L44 PolarHBondContact O-N 3.48Å; L44-I46 VanDerWaalsContact C-N 3.33Å; L44-I46 HydrophobicContact CB-CD1 3.96Å; L44-I46 HydrophobicContact CB-CG1 3.92Å; L44-I46 HydrophobicContact CD1-CD1 4.21Å; L44-I46 PolarHBondContact O-N 2.85Å; L44-L55 HydrophobicContact CD1-CD2 3.59Å
45T97.8Very high98.1Very high121 Ų12166.9 Ų66.974%0.74234%0.341SS*.THydrogen-bonded Turntrans56.446.8178.9-38.80000111.8I41I41-T45 VanDerWaalsContact O-CA 3.32Å; I41-T45 WeakPolarHBondContact O-CA 3.5Å; I41-T45 PolarHBondContact O-N 2.84Å; I41-T45 VanDerWaalsContact O-N 3.1Å
46I98.1Very high98.1Very high17 Ų1764.5 Ų64.59%0.08733%0.329CS..  trans-87.7121.7179.9-60.6170.3000108.4I41 L44 D48 E51 A52 L55I41-I46 PolarHBondContact O-N 2.86Å; I41-I46 VanDerWaalsContact O-N 3.11Å; L44-I46 VanDerWaalsContact C-N 3.33Å; L44-I46 HydrophobicContact CB-CD1 3.96Å; L44-I46 HydrophobicContact CB-CG1 3.92Å; L44-I46 HydrophobicContact CD1-CD1 4.21Å; L44-I46 PolarHBondContact O-N 2.85Å; I46-D48 VanDerWaalsContact CG2-O 3.25Å; I46-D48 WeakPolarHBondContact CG2-O 3.35Å; I46-E51 HydrophobicContact CG2-CB 3.75Å; I46-E51 HydrophobicContact CG2-CG 3.92Å; I46-A52 HydrophobicContact CB-CB 4.33Å; I46-A52 HydrophobicContact CD1-CB 3.92Å; I46-A52 HydrophobicContact CG2-CB 4.04Å; I46-L55 HydrophobicContact CD1-CD2 4.12Å
47E97.1Very high98.1Very high190 Ų19066.1 Ų66.189%0.88834%0.338SS*.SBendtrans-77.7-40.9-178.1-64.6-175.7175.300112.5P49E47-P49 WeakPolarHBondContact O-CD 3.48Å
48D97.4Very high98.1Very high79 Ų7969.3 Ų69.342%0.42236%0.355SS..  trans-90.3116.4179.6-176.80.4000111.3I46 V50 E51 A52I46-D48 VanDerWaalsContact CG2-O 3.25Å; I46-D48 WeakPolarHBondContact CG2-O 3.35Å; D48-V50 PolarHBondContact O-N 2.74Å; D48-V50 VanDerWaalsContact O-N 3.13Å; D48-V50 WeakPolarHBondContact OD1-CB 3.34Å; D48-V50 PolarHBondContact OD1-N 2.7Å; D48-E51 HydrophobicContact CB-CB 4.24Å; D48-E51 WeakPolarHBondContact O-CB 3.43Å; D48-E51 PolarHBondContact O-N 3.19Å; D48-A52 PolarHBondContact O-N 3.11Å
49P97.2Very high98.2Very high70 Ų7064.1 Ų64.146%0.45533%0.331SS..Hα-helixtrans-56.1-29.3175.5-24.935.1000114I41 E47 A52 L53I41-P49 HydrophobicContact CD1-CB 4.07Å; I41-P49 HydrophobicContact CD1-CG 4.33Å; E47-P49 WeakPolarHBondContact O-CD 3.48Å; P49-A52 PolarHBondContact O-N 3.08Å; P49-L53 WeakPolarHBondContact O-CB 3.31Å; P49-L53 PolarHBondContact O-N 2.94Å
50V98.2Very high98.2Very high98 Ų9863.2 Ų63.259%0.59433%0.327SS*.Hα-helixtrans-67.1-38.1178.1-1790000110.9D48 L53 H54D48-V50 PolarHBondContact O-N 2.74Å; D48-V50 VanDerWaalsContact O-N 3.13Å; D48-V50 WeakPolarHBondContact OD1-CB 3.34Å; D48-V50 PolarHBondContact OD1-N 2.7Å; V50-L53 PolarHBondContact O-N 3.41Å; V50-H54 VanDerWaalsContact O-CB 3.26Å; V50-H54 WeakPolarHBondContact O-CB 3.43Å; V50-H54 PolarHBondContact O-N 3.1Å
51E98.5Very high98.2Very high115 Ų11564.3 Ų64.354%0.53734%0.336SS..Hα-helixtrans-63.7-44.3174.8180179.9-170.400111I46 D48 H54 L55I46-E51 HydrophobicContact CG2-CB 3.75Å; I46-E51 HydrophobicContact CG2-CG 3.92Å; D48-E51 HydrophobicContact CB-CB 4.24Å; D48-E51 WeakPolarHBondContact O-CB 3.43Å; D48-E51 PolarHBondContact O-N 3.19Å; E51-H54 PolarHBondContact O-N 3.17Å; E51-L55 WeakPolarHBondContact O-CB 3.42Å; E51-L55 PolarHBondContact O-N 3.19Å
52A98.4Very high98.1Very high0 Ų065 Ų650%034%0.339CS..Hα-helixtrans-64.4-43.7178.100000112.1V37 L40 I41 I46 D48 P49 H54 L55 G56V37-A52 HydrophobicContact CG1-CB 4.38Å; L40-A52 HydrophobicContact CB-CB 4.22Å; L40-A52 WeakPolarHBondContact CD1-O 3.12Å; I41-A52 HydrophobicContact CD1-CB 4.3Å; I41-A52 HydrophobicContact CG1-CB 3.51Å; I46-A52 HydrophobicContact CB-CB 4.33Å; I46-A52 HydrophobicContact CD1-CB 3.92Å; I46-A52 HydrophobicContact CG2-CB 4.04Å; D48-A52 PolarHBondContact O-N 3.11Å; P49-A52 PolarHBondContact O-N 3.08Å; A52-H54 VanDerWaalsContact C-N 3.34Å; A52-L55 PolarHBondContact O-N 3.49Å; A52-G56 PolarHBondContact O-N 2.72Å
53L98.6Very high98.1Very high51 Ų5157 Ų5727%0.26731%0.305SS..Hα-helixtrans-62.5-40.8175178.260.2000111.6V37 P49 V50 G56 T57 L75 D77V37-L53 HydrophobicContact CG2-CB 4.47Å; V37-L53 HydrophobicContact CG2-CD1 3.92Å; P49-L53 WeakPolarHBondContact O-CB 3.31Å; P49-L53 PolarHBondContact O-N 2.94Å; V50-L53 PolarHBondContact O-N 3.41Å; L53-G56 PolarHBondContact O-N 3.25Å; L53-T57 WeakPolarHBondContact O-CB 3.47Å; L53-T57 PolarHBondContact O-N 2.76Å; L53-T57 PolarHBondContact O-OG1 2.63Å; L53-L75 HydrophobicContact CD1-CB 4.13Å; L53-L75 HydrophobicContact CD1-CD2 4.08Å; L53-L75 HydrophobicContact CD1-CG 3.79Å; L53-L75 WeakPolarHBondContact CD1-O 3.42Å; L53-D77 HydrophobicContact CD1-CB 4.29Å; L53-D77 HydrophobicContact CD2-CB 4.48Å
54H98.6Very high98.2Very high114 Ų11455.1 Ų55.153%0.52829%0.294SS..Hα-helixtrans-65.1-47.8177.1-176.269000111.7V50 E51 A52 G56 T57 L58V50-H54 VanDerWaalsContact O-CB 3.26Å; V50-H54 WeakPolarHBondContact O-CB 3.43Å; V50-H54 PolarHBondContact O-N 3.1Å; E51-H54 PolarHBondContact O-N 3.17Å; A52-H54 VanDerWaalsContact C-N 3.34Å; H54-G56 VanDerWaalsContact C-N 3.34Å; H54-G56 PolarHBondContact O-N 3.21Å; H54-T57 WeakPolarHBondContact O-CB 3.36Å; H54-T57 PolarHBondContact O-N 3.05Å; H54-T57 VanDerWaalsContact O-N 3.17Å; H54-L58 PolarHBondContact O-N 3.15Å
55L98.6Very high98.2Very high54 Ų5452.8 Ų52.828%0.28328%0.281SS..Hα-helixtrans-58.5-46.1175.6176.261.2000111.4L44 I46 E51 A52 T57 L58 M59L44-L55 HydrophobicContact CD1-CD2 3.59Å; I46-L55 HydrophobicContact CD1-CD2 4.12Å; E51-L55 WeakPolarHBondContact O-CB 3.42Å; E51-L55 PolarHBondContact O-N 3.19Å; A52-L55 PolarHBondContact O-N 3.49Å; L55-T57 VanDerWaalsContact C-N 3.33Å; L55-T57 PolarHBondContact O-N 2.71Å; L55-L58 WeakPolarHBondContact O-CB 3.38Å; L55-L58 PolarHBondContact O-N 3.08Å; L55-M59 HydrophobicContact CG-SD 4.4Å; L55-M59 WeakPolarHBondContact O-CG 3.32Å; L55-M59 PolarHBondContact O-N 3.11Å
56G98.6Very high98.2Very high0 Ų047 Ų470%025%0.246CC..Hα-helixtrans-61.6-40.8175.900000112.4A52 L53 H54 L58 M59 A60 F65A52-G56 PolarHBondContact O-N 2.72Å; L53-G56 PolarHBondContact O-N 3.25Å; H54-G56 VanDerWaalsContact C-N 3.34Å; H54-G56 PolarHBondContact O-N 3.21Å; G56-L58 VanDerWaalsContact C-N 3.35Å; G56-L58 PolarHBondContact O-N 3.21Å; G56-M59 PolarHBondContact O-N 3.12Å; G56-A60 PolarHBondContact O-N 3.25Å; G56-F65 WeakPolarHBondContact O-CZ 3.32Å
57T98.6Very high98.2Very high33 Ų3346.4 Ų46.420%0.20224%0.243CC..Hα-helixtrans-60.8-42.4174-66.80000111.8L53 H54 L55 M59 A60 A61 T74 L75L53-T57 WeakPolarHBondContact O-CB 3.47Å; L53-T57 PolarHBondContact O-N 2.76Å; L53-T57 PolarHBondContact O-OG1 2.63Å; H54-T57 WeakPolarHBondContact O-CB 3.36Å; H54-T57 PolarHBondContact O-N 3.05Å; H54-T57 VanDerWaalsContact O-N 3.17Å; L55-T57 VanDerWaalsContact C-N 3.33Å; L55-T57 PolarHBondContact O-N 2.71Å; T57-M59 VanDerWaalsContact C-N 3.35Å; T57-M59 PolarHBondContact O-N 2.99Å; T57-A60 PolarHBondContact O-N 3.42Å; T57-A61 WeakPolarHBondContact O-CB 3.44Å; T57-A61 PolarHBondContact O-N 3.1Å; T57-T74 HydrophobicContact CG2-CG2 4.14Å; T57-L75 PolarHBondContact OG1-N 3.33Å
58L98.6Very high98.1Very high67 Ų6738.8 Ų38.835%0.35121%0.208SC..Hα-helixtrans-62.5-41.6174.7-71.2175.6000111.7M1 H54 L55 G56 A60 A61 H62M1-L58 HydrophobicContact CE-CB 4.31Å; H54-L58 PolarHBondContact O-N 3.15Å; L55-L58 WeakPolarHBondContact O-CB 3.38Å; L55-L58 PolarHBondContact O-N 3.08Å; G56-L58 VanDerWaalsContact C-N 3.35Å; G56-L58 PolarHBondContact O-N 3.21Å; L58-A60 VanDerWaalsContact C-N 3.32Å; L58-A60 PolarHBondContact O-N 2.87Å; L58-A61 PolarHBondContact O-N 3.05Å; L58-H62 PolarHBondContact O-N 3.33Å; L58-H62 VanDerWaalsContact O-N 3.09Å; L58-H62 PolarHBondContact O-ND1 3.18Å
59M98.6Very high97.8Very high1 Ų140.3 Ų40.31%0.00523%0.225CC..Hα-helixtrans-64.2-37.2176.7-67.4175.967.500112.2M1 V4 I5 M8 L55 G56 T57 G63 Y64 F65M1-M59 HydrophobicContact CG-CG 4.08Å; M1-M59 HydrophobicContact SD-CG 4.18Å; V4-M59 HydrophobicContact CB-CE 3.8Å; V4-M59 HydrophobicContact CG1-CE 3.81Å; V4-M59 HydrophobicContact CG1-SD 4.23Å; I5-M59 HydrophobicContact CD1-CE 3.48Å; I5-M59 VanDerWaalsContact CD1-CE 3.48Å; I5-M59 HydrophobicContact CG1-CE 3.67Å; M8-M59 HydrophobicContact SD-CE 4.08Å; L55-M59 HydrophobicContact CG-SD 4.4Å; L55-M59 WeakPolarHBondContact O-CG 3.32Å; L55-M59 PolarHBondContact O-N 3.11Å; G56-M59 PolarHBondContact O-N 3.12Å; T57-M59 VanDerWaalsContact C-N 3.35Å; T57-M59 PolarHBondContact O-N 2.99Å; M59-G63 PolarHBondContact O-N 2.87Å; M59-Y64 WeakPolarHBondContact O-CD2 3.28Å; M59-Y64 PolarHBondContact O-N 3.08Å; M59-F65 HydrophobicContact CB-CD1 4.47Å; M59-F65 HydrophobicContact CB-CE1 3.63Å; M59-F65 HydrophobicContact CB-CZ 4.09Å; M59-F65 HydrophobicContact CE-CE1 4.41Å
60A98.4Very high97.7Very high0 Ų039.7 Ų39.70%022%0.218CC..Hα-helixtrans-64.6-46.7173.100000111.7G56 T57 L58 H62 G63 F65G56-A60 PolarHBondContact O-N 3.25Å; T57-A60 PolarHBondContact O-N 3.42Å; L58-A60 VanDerWaalsContact C-N 3.32Å; L58-A60 PolarHBondContact O-N 2.87Å; A60-H62 PolarHBondContact O-N 3.2Å; A60-G63 WeakPolarHBondContact O-CA 3.31Å; A60-G63 PolarHBondContact O-N 2.77Å; A60-F65 VanDerWaalsContact CA-O 3.32Å; A60-F65 WeakPolarHBondContact CA-O 3.22Å; A60-F65 HydrophobicContact CB-CD2 4.02Å; A60-F65 HydrophobicContact CB-CE2 3.63Å; A60-F65 HydrophobicContact CB-CZ 4.19Å
61A98.3Very high97.6Very high23 Ų2336.9 Ų36.919%0.1920%0.198CC..Hα-helixtrans-63.8-23.5179.900000113.8T57 L58 G63 L73 T183T57-A61 WeakPolarHBondContact O-CB 3.44Å; T57-A61 PolarHBondContact O-N 3.1Å; L58-A61 PolarHBondContact O-N 3.05Å; A61-G63 VanDerWaalsContact C-N 3.32Å; A61-L73 PolarHBondContact N-O 3.1Å; A61-T183 HydrophobicContact CB-CG2 3.89Å; A61-T183 WeakPolarHBondContact O-CG2 3.48Å; A61-T183 PolarHBondContact O-OG1 3.46Å
62H98.1Very high97.6Very high53 Ų5333.4 Ų33.425%0.24519%0.185CC..THydrogen-bonded Turntrans-89.22.8171.4-69.277.3000113.1M1 L58 A60 Y64 P91M1-H62 HydrophobicContact SD-CB 4.19Å; L58-H62 PolarHBondContact O-N 3.33Å; L58-H62 VanDerWaalsContact O-N 3.09Å; L58-H62 PolarHBondContact O-ND1 3.18Å; A60-H62 PolarHBondContact O-N 3.2Å; H62-Y64 HydrophobicContact CB-CD2 3.92Å; H62-Y64 HydrophobicContact CB-CE2 3.71Å; H62-P91 WeakPolarHBondContact O-CG 3.15Å
63G97.8Very high97.5Very high3 Ų334.1 Ų34.13%0.03119%0.188CC..THydrogen-bonded Turntrans82.320.5171.500000115.6M59 A60 A61 Q85M59-G63 PolarHBondContact O-N 2.87Å; A60-G63 WeakPolarHBondContact O-CA 3.31Å; A60-G63 PolarHBondContact O-N 2.77Å; A61-G63 VanDerWaalsContact C-N 3.32Å; G63-Q85 WeakPolarHBondContact O-CB 3.46Å; G63-Q85 WeakPolarHBondContact O-CG 3.29Å
64Y98.4Very high97.5Very high19 Ų1933.9 Ų33.98%0.07519%0.189CC..SBendtrans-80.5-29.4178.7-68.1-72.7000113.7M1 E2 I5 M59 H62 Q85 W90 P91M1-Y64 HydrophobicContact CB-CD2 3.93Å; M1-Y64 HydrophobicContact CB-CE2 3.44Å; M1-Y64 VanDerWaalsContact CB-CE2 3.44Å; M1-Y64 HydrophobicContact CG-CE2 4.1Å; M1-Y64 HydrophobicContact SD-CD2 4.03Å; M1-Y64 HydrophobicContact SD-CE2 3.53Å; M1-Y64 VanDerWaalsContact SD-CE2 3.53Å; E2-Y64 HydrophobicContact CG-CD1 4.26Å; E2-Y64 HydrophobicContact CG-CE1 3.36Å; I5-Y64 HydrophobicContact CD1-CG 4.38Å; I5-Y64 HydrophobicContact CG1-CD1 4.12Å; I5-Y64 HydrophobicContact CG1-CG 4.02Å; M59-Y64 WeakPolarHBondContact O-CD2 3.28Å; M59-Y64 PolarHBondContact O-N 3.08Å; H62-Y64 HydrophobicContact CB-CD2 3.92Å; H62-Y64 HydrophobicContact CB-CE2 3.71Å; Y64-Q85 WeakPolarHBondContact O-CB 3.36Å; Y64-Q85 PolarHBondContact O-N 3.36Å; Y64-W90 AromaticContact CD1-CD1 3.99Å; Y64-W90 HydrophobicContact CD1-CD2 4.18Å; Y64-W90 HydrophobicContact CD1-CG 4.14Å; Y64-W90 AromaticContact CD1-NE1 3.96Å; Y64-W90 HydrophobicContact CE1-CB 4.38Å; Y64-W90 HydrophobicContact CE1-CD2 4.06Å; Y64-W90 HydrophobicContact CE1-CG 4Å; Y64-P91 HydrophobicContact CE1-CG 4.44Å; Y64-P91 HydrophobicContact CE2-CG 4.28Å
65F98.5Very high97.5Very high0 Ų028.9 Ų28.90%017%0.166CC..EExtended strand (participates in β ladder)trans-146.6159.6165.657.5-96.9000108.5I5 M8 F31 I36 G56 M59 A60 L75 Y82 R83 F84I5-F65 HydrophobicContact CD1-CD1 3.81Å; I5-F65 HydrophobicContact CD1-CE1 4.32Å; M8-F65 HydrophobicContact CE-CE1 4.43Å; F31-F65 HydrophobicContact CZ-CB 4.35Å; I36-F65 HydrophobicContact CD1-CD2 4.08Å; I36-F65 HydrophobicContact CD1-CE2 3.88Å; I36-F65 HydrophobicContact CD1-CZ 4.36Å; I36-F65 HydrophobicContact CG2-CZ 4.03Å; G56-F65 WeakPolarHBondContact O-CZ 3.32Å; M59-F65 HydrophobicContact CB-CD1 4.47Å; M59-F65 HydrophobicContact CB-CE1 3.63Å; M59-F65 HydrophobicContact CB-CZ 4.09Å; M59-F65 HydrophobicContact CE-CE1 4.41Å; A60-F65 VanDerWaalsContact CA-O 3.32Å; A60-F65 WeakPolarHBondContact CA-O 3.22Å; A60-F65 HydrophobicContact CB-CD2 4.02Å; A60-F65 HydrophobicContact CB-CE2 3.63Å; A60-F65 HydrophobicContact CB-CZ 4.19Å; F65-L75 HydrophobicContact CE2-CD1 4.29Å; F65-Y82 AromaticContact CD2-CD1 3.91Å; F65-Y82 HydrophobicContact CD2-CD1 3.91Å; F65-Y82 HydrophobicContact CD2-CG 4.42Å; F65-Y82 HydrophobicContact CE2-CD1 4.29Å; F65-R83 CarbonylContact C-O 3.59Å; F65-R83 WeakPolarHBondContact CA-O 3.44Å; F65-R83 VanDerWaalsContact CB-O 3.25Å; F65-R83 WeakPolarHBondContact CB-O 3.37Å; F65-F84 HydrophobicContact CB-CD1 4.1Å
66F98.6Very high97.5Very high0 Ų030.6 Ų30.60%017%0.171CC..EExtended strand (participates in β ladder)trans-146.7147.8-171.855-90.6000111.7L73 Y82 R83 Q85 S165 Q166 A169F66-L73 HydrophobicContact CB-CD2 3.73Å; F66-Y82 VanDerWaalsContact O-CA 3.28Å; F66-Y82 WeakPolarHBondContact O-CA 3.49Å; F66-R83 WeakPolarHBondContact CD1-O 3.49Å; F66-R83 HydrophobicContact CE1-CB 4.45Å; F66-R83 HydrophobicContact CE2-CB 4.18Å; F66-R83 HydrophobicContact CZ-CB 4.03Å; F66-R83 HydrophobicContact CZ-CG 4.26Å; F66-R83 PolarHBondContact N-O 2.89Å; F66-R83 PolarHBondContact O-N 3.26Å; F66-Q85 HydrophobicContact CD1-CB 4.35Å; F66-Q85 HydrophobicContact CE1-CB 4.3Å; F66-S165 WeakPolarHBondContact CE2-O 3.24Å; F66-Q166 HydrophobicContact CE1-CG 4.02Å; F66-Q166 HydrophobicContact CZ-CB 4.43Å; F66-Q166 HydrophobicContact CZ-CG 3.8Å; F66-A169 HydrophobicContact CB-CB 3.65Å; F66-A169 HydrophobicContact CD1-CB 3.29Å; F66-A169 HydrophobicContact CD2-CB 3.64Å; F66-A169 HydrophobicContact CE1-CB 3.75Å; F66-A169 HydrophobicContact CE2-CB 4.06Å; F66-A169 HydrophobicContact CG-CB 3.23Å; F66-A169 HydrophobicContact CZ-CB 4.11Å
67P97.9Very high97.5Very high4 Ų434.3 Ų34.33%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-66.8134.3172.726.8-31.5000109.7S69 D70 V72 T80 Y82 R168P67-S69 VanDerWaalsContact C-N 3.27Å; P67-S69 PolarHBondContact O-N 3.28Å; P67-D70 HydrophobicContact CB-CB 4.17Å; P67-D70 HydrophobicContact CG-CB 4.02Å; P67-V72 WeakPolarHBondContact CG-O 3.43Å; P67-T80 HydrophobicContact CB-CG2 4.47Å; P67-Y82 HydrophobicContact CB-CD1 4.09Å; P67-Y82 HydrophobicContact CB-CE1 3.72Å; P67-Y82 HydrophobicContact CG-CE1 4.2Å; P67-R168 PolarHBondContact O-NH2 3.27Å
68I94.9Very high97.4Very high30 Ų3036 Ų3615%0.15420%0.199CC..THydrogen-bonded Turntrans-73.8-20.5-174.365.9175.1000113.4I27 V30 F81 R83 R168I27-I68 HydrophobicContact CD1-CD1 3.96Å; I27-I68 HydrophobicContact CG2-CD1 3.63Å; V30-I68 HydrophobicContact CG1-CD1 4.1Å; V30-I68 HydrophobicContact CG1-CG2 4Å; I68-F81 HydrophobicContact CD1-CB 3.56Å; I68-F81 HydrophobicContact CD1-CD2 4.41Å; I68-F81 HydrophobicContact CD1-CG 4.39Å; I68-F81 HydrophobicContact CG1-CB 3.95Å; I68-F81 PolarHBondContact N-O 3.44Å; I68-R83 HydrophobicContact CG2-CB 4.09Å; I68-R168 PolarHBondContact O-NH2 3.13Å
69S91.2Very high97.3Very high111 Ų11135.4 Ų35.478%0.77621%0.209SC*.THydrogen-bonded Turntrans-114.92.2-170.3-560000114.1P67P67-S69 VanDerWaalsContact C-N 3.27Å; P67-S69 PolarHBondContact O-N 3.28Å
70D94.3Very high97.2Very high57 Ų5737.2 Ų37.231%0.30522%0.22SC..  trans-136.9146.5-174.3-158.7-23.9000109.9P67 V72 K76 R168P67-D70 HydrophobicContact CB-CB 4.17Å; P67-D70 HydrophobicContact CG-CB 4.02Å; D70-V72 PolarHBondContact OD1-N 3.41Å; D70-K76 IonicContact OD2-NZ 2.98Å; D70-R168 PolarHBondContact O-NH1 2.9Å; D70-R168 PolarHBondContact O-NH2 3.28Å
71H96.1Very high97.2Very high39 Ų3940.5 Ų40.518%0.18124%0.235CC..SBendtrans-85.3-20.6173.3-78.1-87.1000112L73 Y122 E123 D172 V177H71-L73 PolarHBondContact O-N 3.31Å; H71-Y122 PolarHBondContact ND1-OH 3.49Å; H71-Y122 VanDerWaalsContact ND1-OH 3.15Å; H71-E123 IonicContact CE1-OE1 3.45Å; H71-E123 IonicContact CE1-OE2 2.66Å; H71-E123 IonicContact NE2-OE2 2.73Å; H71-D172 IonicContact CE1-OD1 2.91Å; H71-D172 IonicContact CG-OD1 3.43Å; H71-D172 IonicContact ND1-OD1 3.51Å; H71-D172 PolarHBondContact ND1-OD1 2.99Å; H71-D172 IonicContact ND1-OD2 2.63Å; H71-V177 HydrophobicContact CB-CG2 3.58Å
72V97.8Very high97.2Very high43 Ų4339.5 Ų39.526%0.26123%0.226SC..SBendtrans-79.1114176.51800000109.6P67 D70 T74 V177P67-V72 WeakPolarHBondContact CG-O 3.43Å; D70-V72 PolarHBondContact OD1-N 3.41Å; V72-T74 VanDerWaalsContact C-N 3.27Å; V72-T74 HydrophobicContact CG1-CG2 3.77Å; V72-T74 PolarHBondContact O-N 2.98Å; V72-V177 HydrophobicContact CG2-CB 4.39Å; V72-V177 HydrophobicContact CG2-CG1 4.48Å; V72-V177 HydrophobicContact CG2-CG2 4.17Å
73L98.1Very high97.2Very high15 Ų1537.6 Ų37.68%0.07922%0.216CC..  trans-80.167.8-175.9-60.5-177.8000112.5A61 F66 H71 D172 V173A61-L73 PolarHBondContact N-O 3.1Å; F66-L73 HydrophobicContact CB-CD2 3.73Å; H71-L73 PolarHBondContact O-N 3.31Å; L73-D172 HydrophobicContact CD1-CB 3.86Å; L73-D172 HydrophobicContact CD2-CB 4.01Å; L73-D172 HydrophobicContact CG-CB 3.88Å; L73-V173 HydrophobicContact CD1-CB 4.42Å; L73-V173 HydrophobicContact CD1-CG2 3.43Å; L73-V173 VanDerWaalsContact CD1-CG2 3.43Å
74T98.1Very high97.2Very high46 Ų4638.1 Ų38.128%0.28222%0.218SC..  trans-120.1150.9176.554.30000111.7T57 V72 Y82T57-T74 HydrophobicContact CG2-CG2 4.14Å; V72-T74 VanDerWaalsContact C-N 3.27Å; V72-T74 HydrophobicContact CG1-CG2 3.77Å; V72-T74 PolarHBondContact O-N 2.98Å; T74-Y82 WeakPolarHBondContact O-CE1 3.5Å; T74-Y82 PolarHBondContact O-OH 2.91Å; T74-Y82 VanDerWaalsContact O-OH 3.11Å
75L98.5Very high97.2Very high8 Ų837.4 Ų37.44%0.04222%0.215CC..  trans-90.1140170.5-179.661000109.9I36 V37 L53 T57 F65 Y82I36-L75 HydrophobicContact CB-CD1 4.19Å; I36-L75 HydrophobicContact CB-CD2 4.24Å; I36-L75 HydrophobicContact CD1-CD1 3.65Å; I36-L75 HydrophobicContact CG2-CD1 4.32Å; I36-L75 HydrophobicContact CG2-CD2 3.69Å; V37-L75 HydrophobicContact CG2-CD2 3.75Å; V37-L75 HydrophobicContact CG2-CG 4.25Å; L53-L75 HydrophobicContact CD1-CB 4.13Å; L53-L75 HydrophobicContact CD1-CD2 4.08Å; L53-L75 HydrophobicContact CD1-CG 3.79Å; L53-L75 WeakPolarHBondContact CD1-O 3.42Å; T57-L75 PolarHBondContact OG1-N 3.33Å; F65-L75 HydrophobicContact CE2-CD1 4.29Å; L75-Y82 WeakPolarHBondContact CA-OH 3.44Å; L75-Y82 HydrophobicContact CD1-CD2 4.25Å; L75-Y82 HydrophobicContact CD1-CE1 4.1Å; L75-Y82 HydrophobicContact CD1-CE2 3.78Å
76K98.3Very high97.1Very high90 Ų9039.4 Ų39.439%0.39123%0.227SC..  trans-120.9132.7173.5-62.2179.6-177.2171.10108.1G33 D70 D78 Y82G33-K76 CarbonylContact C-O 3.47Å; G33-K76 VanDerWaalsContact CA-O 3.25Å; G33-K76 WeakPolarHBondContact CA-O 3.46Å; D70-K76 IonicContact OD2-NZ 2.98Å; K76-D78 WeakPolarHBondContact CB-OD1 3.42Å; K76-D78 PolarHBondContact O-N 3.41Å; K76-Y82 PolarHBondContact N-OH 3.46Å
77D97.9Very high97Very high78 Ų7842.9 Ų42.942%0.41725%0.25SS..SBendtrans-8164177.1-170.322.8000110.8S34 V37 L53S34-D77 VanDerWaalsContact CA-OD1 3.29Å; S34-D77 WeakPolarHBondContact CA-OD1 3.47Å; V37-D77 HydrophobicContact CG2-CB 4.04Å; L53-D77 HydrophobicContact CD1-CB 4.29Å; L53-D77 HydrophobicContact CD2-CB 4.48Å
78D97.2Very high96.8Very high69 Ų6949.3 Ų49.337%0.36928%0.275SS..SBendtrans-151.9-168.6-177.366.117.6000111.3G33 S34 K76 T80G33-D78 PolarHBondContact N-O 2.89Å; S34-D78 PolarHBondContact N-O 3.47Å; K76-D78 WeakPolarHBondContact CB-OD1 3.42Å; K76-D78 PolarHBondContact O-N 3.41Å; D78-T80 PolarHBondContact O-N 3.04Å; D78-T80 VanDerWaalsContact O-N 3.16Å; D78-T80 WeakPolarHBondContact OD1-CA 3.49Å; D78-T80 WeakPolarHBondContact OD1-CB 3.44Å; D78-T80 PolarHBondContact OD1-N 3.25Å; D78-T80 PolarHBondContact OD1-OG1 3.43Å; D78-T80 PolarHBondContact OD2-OG1 2.99Å
79G96.4Very high96.9Very high54 Ų5449.7 Ų49.756%0.55728%0.276SS*.SBendtrans-72.67.8177.900000115.5
80T97.3Very high97.1Very high40 Ų4046 Ų4625%0.24525%0.245CC..  trans-60.6136.2176.7-61.80000110.1S32 G33 P67 D78 Y82S32-T80 CarbonylContact C-O 3.36Å; S32-T80 WeakPolarHBondContact CA-O 3.46Å; G33-T80 PolarHBondContact N-O 2.86Å; P67-T80 HydrophobicContact CB-CG2 4.47Å; D78-T80 PolarHBondContact O-N 3.04Å; D78-T80 VanDerWaalsContact O-N 3.16Å; D78-T80 WeakPolarHBondContact OD1-CA 3.49Å; D78-T80 WeakPolarHBondContact OD1-CB 3.44Å; D78-T80 PolarHBondContact OD1-N 3.25Å; D78-T80 PolarHBondContact OD1-OG1 3.43Å; D78-T80 PolarHBondContact OD2-OG1 2.99Å; T80-Y82 HydrophobicContact CG2-CE2 3.75Å; T80-Y82 VanDerWaalsContact O-CD2 3.25Å; T80-Y82 WeakPolarHBondContact O-CD2 3.27Å; T80-Y82 VanDerWaalsContact O-CE2 3.29Å; T80-Y82 WeakPolarHBondContact O-CE2 3.34Å
81F97.6Very high97Very high69 Ų6945.4 Ų45.430%0.30324%0.244SC..EExtended strand (participates in β ladder)trans-91.6133.7-176.9-66.2-56000112.9V20 V30 F31 I68V20-F81 HydrophobicContact CB-CZ 4.3Å; V20-F81 HydrophobicContact CG1-CE2 4.2Å; V20-F81 HydrophobicContact CG1-CZ 3.99Å; V20-F81 HydrophobicContact CG2-CD1 4.41Å; V20-F81 HydrophobicContact CG2-CE1 3.72Å; V20-F81 HydrophobicContact CG2-CE2 4.32Å; V20-F81 HydrophobicContact CG2-CZ 3.68Å; V30-F81 HydrophobicContact CB-CB 4.13Å; V30-F81 HydrophobicContact CB-CD1 4.31Å; V30-F81 HydrophobicContact CB-CG 4.41Å; V30-F81 HydrophobicContact CG1-CB 4.36Å; V30-F81 HydrophobicContact CG2-CB 4.43Å; V30-F81 HydrophobicContact CG2-CD1 3.96Å; V30-F81 HydrophobicContact CG2-CG 4.2Å; F31-F81 WeakPolarHBondContact O-CA 3.3Å; I68-F81 HydrophobicContact CD1-CB 3.56Å; I68-F81 HydrophobicContact CD1-CD2 4.41Å; I68-F81 HydrophobicContact CD1-CG 4.39Å; I68-F81 HydrophobicContact CG1-CB 3.95Å; I68-F81 PolarHBondContact N-O 3.44Å
82Y98.3Very high96.7Very high1 Ų146.2 Ų46.20%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-119.8163.9177.9-63.7-95.8000111.4V30 F31 I36 F65 F66 P67 T74 L75 K76 T80V30-Y82 VanDerWaalsContact CA-O 3.3Å; V30-Y82 WeakPolarHBondContact CA-O 2.98Å; F31-Y82 PolarHBondContact N-O 3.27Å; F31-Y82 PolarHBondContact O-N 3.26Å; I36-Y82 HydrophobicContact CD1-CD1 4.49Å; I36-Y82 HydrophobicContact CD1-CD2 3.9Å; I36-Y82 HydrophobicContact CD1-CG 3.84Å; F65-Y82 AromaticContact CD2-CD1 3.91Å; F65-Y82 HydrophobicContact CD2-CD1 3.91Å; F65-Y82 HydrophobicContact CD2-CG 4.42Å; F65-Y82 HydrophobicContact CE2-CD1 4.29Å; F66-Y82 VanDerWaalsContact O-CA 3.28Å; F66-Y82 WeakPolarHBondContact O-CA 3.49Å; P67-Y82 HydrophobicContact CB-CD1 4.09Å; P67-Y82 HydrophobicContact CB-CE1 3.72Å; P67-Y82 HydrophobicContact CG-CE1 4.2Å; T74-Y82 WeakPolarHBondContact O-CE1 3.5Å; T74-Y82 PolarHBondContact O-OH 2.91Å; T74-Y82 VanDerWaalsContact O-OH 3.11Å; L75-Y82 WeakPolarHBondContact CA-OH 3.44Å; L75-Y82 HydrophobicContact CD1-CD2 4.25Å; L75-Y82 HydrophobicContact CD1-CE1 4.1Å; L75-Y82 HydrophobicContact CD1-CE2 3.78Å; K76-Y82 PolarHBondContact N-OH 3.46Å; T80-Y82 HydrophobicContact CG2-CE2 3.75Å; T80-Y82 VanDerWaalsContact O-CD2 3.25Å; T80-Y82 WeakPolarHBondContact O-CD2 3.27Å; T80-Y82 VanDerWaalsContact O-CE2 3.29Å; T80-Y82 WeakPolarHBondContact O-CE2 3.34Å
83R97.9Very high96.2Very high13 Ų1348.1 Ų48.15%0.04926%0.262CS..EExtended strand (participates in β ladder)trans-140.1144.5173.3-174.8176.1-67.9146.1-0.2110.7P28 S29 F65 F66 I68 S165P28-R83 PolarHBondContact O-NH2 2.69Å; S29-R83 PolarHBondContact O-NE 3.19Å; S29-R83 VanDerWaalsContact O-NE 3.14Å; F65-R83 CarbonylContact C-O 3.59Å; F65-R83 WeakPolarHBondContact CA-O 3.44Å; F65-R83 VanDerWaalsContact CB-O 3.25Å; F65-R83 WeakPolarHBondContact CB-O 3.37Å; F66-R83 WeakPolarHBondContact CD1-O 3.49Å; F66-R83 HydrophobicContact CE1-CB 4.45Å; F66-R83 HydrophobicContact CE2-CB 4.18Å; F66-R83 HydrophobicContact CZ-CB 4.03Å; F66-R83 HydrophobicContact CZ-CG 4.26Å; F66-R83 PolarHBondContact N-O 2.89Å; F66-R83 PolarHBondContact O-N 3.26Å; I68-R83 HydrophobicContact CG2-CB 4.09Å; R83-S165 PolarHBondContact NH1-OG 3.02Å
84F98.3Very high95.3Very high15 Ų1552.1 Ų52.17%0.06629%0.291CS..EExtended strand (participates in β ladder)trans-67.1141.1171-66.9-62.1000111.9I5 M8 Q9 I17 F31 F65I5-F84 HydrophobicContact CD1-CD1 4.25Å; I5-F84 HydrophobicContact CD1-CE1 4.12Å; I5-F84 HydrophobicContact CG2-CD1 4.23Å; I5-F84 HydrophobicContact CG2-CE1 4.48Å; M8-F84 HydrophobicContact CB-CE1 4.09Å; M8-F84 HydrophobicContact CB-CZ 3.8Å; Q9-F84 HydrophobicContact CG-CD1 4.31Å; Q9-F84 HydrophobicContact CG-CD2 3.58Å; Q9-F84 HydrophobicContact CG-CE1 4.22Å; Q9-F84 HydrophobicContact CG-CE2 3.48Å; Q9-F84 VanDerWaalsContact CG-CE2 3.48Å; Q9-F84 HydrophobicContact CG-CG 4.02Å; Q9-F84 HydrophobicContact CG-CZ 3.83Å; I17-F84 HydrophobicContact CD1-CD2 4.22Å; I17-F84 HydrophobicContact CD1-CE2 4.1Å; F31-F84 HydrophobicContact CD1-CD2 4.4Å; F31-F84 HydrophobicContact CD1-CE2 4.09Å; F31-F84 HydrophobicContact CE1-CD1 4.38Å; F31-F84 AromaticContact CE1-CD2 3.36Å; F31-F84 HydrophobicContact CE1-CD2 3.36Å; F31-F84 HydrophobicContact CE1-CE1 4.38Å; F31-F84 AromaticContact CE1-CE2 3.34Å; F31-F84 HydrophobicContact CE1-CE2 3.34Å; F31-F84 AromaticContact CE1-CG 3.89Å; F31-F84 HydrophobicContact CE1-CG 3.89Å; F31-F84 AromaticContact CE1-CZ 3.88Å; F31-F84 HydrophobicContact CE1-CZ 3.88Å; F31-F84 HydrophobicContact CE2-CE1 4.35Å; F31-F84 HydrophobicContact CE2-CE2 4.49Å; F31-F84 HydrophobicContact CE2-CZ 4.21Å; F31-F84 AromaticContact CZ-CD1 3.81Å; F31-F84 HydrophobicContact CZ-CD1 3.81Å; F31-F84 AromaticContact CZ-CD2 3.65Å; F31-F84 HydrophobicContact CZ-CD2 3.65Å; F31-F84 AromaticContact CZ-CE1 3.75Å; F31-F84 HydrophobicContact CZ-CE1 3.75Å; F31-F84 AromaticContact CZ-CE2 3.58Å; F31-F84 HydrophobicContact CZ-CE2 3.58Å; F31-F84 AromaticContact CZ-CG 3.75Å; F31-F84 HydrophobicContact CZ-CG 3.75Å; F31-F84 AromaticContact CZ-CZ 3.62Å; F31-F84 HydrophobicContact CZ-CZ 3.62Å; F65-F84 HydrophobicContact CB-CD1 4.1Å
85Q98.1Very high94.6Very high4 Ų453.7 Ų53.72%0.01929%0.292CS..PPolyproline II helixtrans-77.7147.2170.2-176.459.5-78.700110.8G63 Y64 F66 F89 W90 Q166G63-Q85 WeakPolarHBondContact O-CB 3.46Å; G63-Q85 WeakPolarHBondContact O-CG 3.29Å; Y64-Q85 WeakPolarHBondContact O-CB 3.36Å; Y64-Q85 PolarHBondContact O-N 3.36Å; F66-Q85 HydrophobicContact CD1-CB 4.35Å; F66-Q85 HydrophobicContact CE1-CB 4.3Å; Q85-F89 HydrophobicContact CG-CB 3.83Å; Q85-W90 PolarHBondContact O-NE1 2.8Å; Q85-Q166 PolarHBondContact NE2-O 3.29Å; Q85-Q166 VanDerWaalsContact OE1-CB 3.27Å
86T96.4Very high94Very high41 Ų4161.2 Ų61.225%0.25233%0.326SS..PPolyproline II helixtrans-69.6140.2173176.50000110.8Y88 F89T86-Y88 PolarHBondContact O-N 2.93Å; T86-F89 HydrophobicContact CG2-CB 4.29Å; T86-F89 HydrophobicContact CG2-CD2 3.42Å; T86-F89 VanDerWaalsContact CG2-CD2 3.42Å; T86-F89 HydrophobicContact CG2-CE2 4.07Å; T86-F89 HydrophobicContact CG2-CG 4.12Å; T86-F89 PolarHBondContact O-N 3.4Å
87P96.3Very high93.7Very high74 Ų7457.7 Ų57.748%0.48131%0.313SS..G310 helixtrans-54.1-25.2177.5-27.635000114.9F89 W90 N93P87-F89 VanDerWaalsContact C-N 3.26Å; P87-F89 PolarHBondContact O-N 3.34Å; P87-W90 HydrophobicContact CB-CD2 4.04Å; P87-W90 HydrophobicContact CB-CE3 4.13Å; P87-W90 HydrophobicContact CB-CH2 4.37Å; P87-W90 HydrophobicContact CB-CZ2 4.27Å; P87-W90 HydrophobicContact CB-CZ3 4.3Å; P87-W90 HydrophobicContact CG-CH2 4.14Å; P87-W90 HydrophobicContact CG-CZ2 3.88Å; P87-W90 WeakPolarHBondContact O-CB 3.25Å; P87-W90 PolarHBondContact O-N 3.06Å; P87-N93 PolarHBondContact O-ND2 2.81Å
88Y95Very high93.5Very high139 Ų13960 Ų6055%0.54532%0.321SS..G310 helixtrans-56.9-39.7173.8177.8-106000112.5T86 N93 W95T86-Y88 PolarHBondContact O-N 2.93Å; Y88-N93 PolarHBondContact O-ND2 3.48Å; Y88-W95 HydrophobicContact CD1-CZ2 4.31Å; Y88-W95 HydrophobicContact CD2-CZ2 4.29Å; Y88-W95 HydrophobicContact CE1-CH2 4.09Å; Y88-W95 AromaticContact CE1-CZ2 3.87Å; Y88-W95 HydrophobicContact CE1-CZ2 3.87Å; Y88-W95 HydrophobicContact CE2-CH2 4.05Å; Y88-W95 AromaticContact CE2-CZ2 3.84Å; Y88-W95 HydrophobicContact CE2-CZ2 3.84Å; Y88-W95 AromaticContact CZ-CH2 3.59Å; Y88-W95 AromaticContact CZ-CZ2 3.62Å; Y88-W95 WeakPolarHBondContact O-CZ2 3.49Å; Y88-W95 PolarHBondContact O-NE1 3.22Å; Y88-W95 WeakPolarHBondContact OH-CH2 3.45Å
89F96.7Very high93.5Very high38 Ų3860.7 Ų60.717%0.16733%0.325CS..G310 helixtrans-93.711.7-178.9-69.6-46.7000113.7Q85 T86 P87 Q166 E167 F170Q85-F89 HydrophobicContact CG-CB 3.83Å; T86-F89 HydrophobicContact CG2-CB 4.29Å; T86-F89 HydrophobicContact CG2-CD2 3.42Å; T86-F89 VanDerWaalsContact CG2-CD2 3.42Å; T86-F89 HydrophobicContact CG2-CE2 4.07Å; T86-F89 HydrophobicContact CG2-CG 4.12Å; T86-F89 PolarHBondContact O-N 3.4Å; P87-F89 VanDerWaalsContact C-N 3.26Å; P87-F89 PolarHBondContact O-N 3.34Å; F89-Q166 HydrophobicContact CD2-CB 4.36Å; F89-Q166 HydrophobicContact CE2-CB 4.41Å; F89-E167 HydrophobicContact CE2-CB 4.41Å; F89-E167 HydrophobicContact CZ-CB 4.43Å; F89-F170 HydrophobicContact CB-CB 4.18Å; F89-F170 HydrophobicContact CB-CD2 3.92Å; F89-F170 HydrophobicContact CB-CG 4.43Å; F89-F170 HydrophobicContact CD1-CB 3.95Å; F89-F170 HydrophobicContact CD1-CD1 4.41Å; F89-F170 AromaticContact CD1-CD2 3.49Å; F89-F170 HydrophobicContact CD1-CD2 3.49Å; F89-F170 VanDerWaalsContact CD1-CD2 3.49Å; F89-F170 HydrophobicContact CD1-CE2 4.04Å; F89-F170 AromaticContact CD1-CG 3.69Å; F89-F170 HydrophobicContact CD1-CG 3.69Å; F89-F170 HydrophobicContact CD2-CB 4.31Å; F89-F170 HydrophobicContact CE1-CB 4.39Å; F89-F170 HydrophobicContact CE1-CD1 4.45Å; F89-F170 HydrophobicContact CE1-CD2 4.28Å; F89-F170 HydrophobicContact CE1-CG 4.12Å; F89-F170 HydrophobicContact CG-CB 3.92Å; F89-F170 AromaticContact CG-CD2 3.97Å; F89-F170 HydrophobicContact CG-CD2 3.97Å; F89-F170 HydrophobicContact CG-CG 4.13Å
90W95.6Very high93.5Very high34 Ų3460.3 Ų60.313%0.12931%0.312CS..  trans-69.6144.8176.4-72.8-0.5000111.8E2 I5 Y64 Q85 P87 S92 N93E2-W90 HydrophobicContact CB-CE3 4.31Å; E2-W90 HydrophobicContact CB-CH2 4.31Å; E2-W90 HydrophobicContact CB-CZ3 3.83Å; E2-W90 HydrophobicContact CG-CD2 4.17Å; E2-W90 HydrophobicContact CG-CE3 3.5Å; E2-W90 HydrophobicContact CG-CH2 4.26Å; E2-W90 HydrophobicContact CG-CZ3 3.55Å; I5-W90 HydrophobicContact CG2-CZ2 3.94Å; Y64-W90 AromaticContact CD1-CD1 3.99Å; Y64-W90 HydrophobicContact CD1-CD2 4.18Å; Y64-W90 HydrophobicContact CD1-CG 4.14Å; Y64-W90 AromaticContact CD1-NE1 3.96Å; Y64-W90 HydrophobicContact CE1-CB 4.38Å; Y64-W90 HydrophobicContact CE1-CD2 4.06Å; Y64-W90 HydrophobicContact CE1-CG 4Å; Q85-W90 PolarHBondContact O-NE1 2.8Å; P87-W90 HydrophobicContact CB-CD2 4.04Å; P87-W90 HydrophobicContact CB-CE3 4.13Å; P87-W90 HydrophobicContact CB-CH2 4.37Å; P87-W90 HydrophobicContact CB-CZ2 4.27Å; P87-W90 HydrophobicContact CB-CZ3 4.3Å; P87-W90 HydrophobicContact CG-CH2 4.14Å; P87-W90 HydrophobicContact CG-CZ2 3.88Å; P87-W90 WeakPolarHBondContact O-CB 3.25Å; P87-W90 PolarHBondContact O-N 3.06Å; W90-S92 PolarHBondContact O-N 3.48Å; W90-N93 WeakPolarHBondContact O-CB 3.33Å; W90-N93 PolarHBondContact O-N 3.45Å; W90-N93 VanDerWaalsContact O-N 3.16Å
91P90.6Very high93.4Very high43 Ų4361.7 Ų61.728%0.27932%0.318SS..G310 helixtrans-65.3-22.3-177.626.7-36000113.4H62 Y64 N93 C94H62-P91 WeakPolarHBondContact O-CG 3.15Å; Y64-P91 HydrophobicContact CE1-CG 4.44Å; Y64-P91 HydrophobicContact CE2-CG 4.28Å; P91-N93 PolarHBondContact O-N 3.02Å; P91-C94 PolarHBondContact O-N 3.26Å
92S90.2Very high93.4Very high57 Ų5758.7 Ų58.740%0.39930%0.304SS..G310 helixtrans-65.6-17.9175.654.10000114.3E2 W90 C94E2-S92 WeakPolarHBondContact OE1-CB 3.39Å; E2-S92 PolarHBondContact OE1-OG 3.25Å; W90-S92 PolarHBondContact O-N 3.48Å; S92-C94 PolarHBondContact O-N 2.9Å; S92-C94 VanDerWaalsContact O-N 3.13Å
93N87.9Confident93.4Very high82 Ų8258.6 Ų58.644%0.43930%0.304SS..G310 helixtrans-736.3170.4-67.1-18.1000112.6P87 Y88 W90 P91 W95P87-N93 PolarHBondContact O-ND2 2.81Å; Y88-N93 PolarHBondContact O-ND2 3.48Å; W90-N93 WeakPolarHBondContact O-CB 3.33Å; W90-N93 PolarHBondContact O-N 3.45Å; W90-N93 VanDerWaalsContact O-N 3.16Å; P91-N93 PolarHBondContact O-N 3.02Å; N93-W95 VanDerWaalsContact C-N 3.35Å; N93-W95 PolarHBondContact O-N 3.33Å
94C77.9Confident93.4Very high99 Ų9958.1 Ų58.167%0.66930%0.302SS*.  trans55.945.3174.9-64.40000113P91 S92 E96P91-C94 PolarHBondContact O-N 3.26Å; S92-C94 PolarHBondContact O-N 2.9Å; S92-C94 VanDerWaalsContact O-N 3.13Å; C94-E96 PolarHBondContact O-N 3.43Å
95W83.4Confident93.4Very high80 Ų8057.6 Ų57.630%0.30330%0.3SS..  trans-64.4122.4177.1-72.7109.8000111.9Y88 N93 P97 F170 H174Y88-W95 HydrophobicContact CD1-CZ2 4.31Å; Y88-W95 HydrophobicContact CD2-CZ2 4.29Å; Y88-W95 HydrophobicContact CE1-CH2 4.09Å; Y88-W95 AromaticContact CE1-CZ2 3.87Å; Y88-W95 HydrophobicContact CE1-CZ2 3.87Å; Y88-W95 HydrophobicContact CE2-CH2 4.05Å; Y88-W95 AromaticContact CE2-CZ2 3.84Å; Y88-W95 HydrophobicContact CE2-CZ2 3.84Å; Y88-W95 AromaticContact CZ-CH2 3.59Å; Y88-W95 AromaticContact CZ-CZ2 3.62Å; Y88-W95 WeakPolarHBondContact O-CZ2 3.49Å; Y88-W95 PolarHBondContact O-NE1 3.22Å; Y88-W95 WeakPolarHBondContact OH-CH2 3.45Å; N93-W95 VanDerWaalsContact C-N 3.35Å; N93-W95 PolarHBondContact O-N 3.33Å; W95-P97 VanDerWaalsContact C-CD 3.45Å; W95-P97 WeakPolarHBondContact O-CD 3.18Å; W95-F170 HydrophobicContact CB-CE2 4.02Å; W95-F170 HydrophobicContact CB-CZ 4.32Å; W95-F170 AromaticContact CD1-CE2 3.9Å; W95-F170 AromaticContact CD2-CE2 3.99Å; W95-F170 HydrophobicContact CD2-CE2 3.99Å; W95-F170 HydrophobicContact CD2-CZ 4.23Å; W95-F170 HydrophobicContact CE3-CZ 4.38Å; W95-F170 AromaticContact CG-CE2 3.72Å; W95-F170 HydrophobicContact CG-CE2 3.72Å; W95-F170 HydrophobicContact CG-CZ 4.22Å; W95-H174 PolarHBondContact O-CE1 2.79Å
96E86Confident93.4Very high165 Ų16557.4 Ų57.477%0.77130%0.299SS*.  trans-119.270.3166.3-68.3-171.2166.200109.1C94 E98C94-E96 PolarHBondContact O-N 3.43Å; E96-E98 PolarHBondContact O-N 2.88Å
97P92.1Very high93.4Very high17 Ų1755.7 Ų55.711%0.1129%0.289CS..  trans-69.2133.6-171.728-33.9000111.9W95 F170 W171 H174 R175W95-P97 VanDerWaalsContact C-CD 3.45Å; W95-P97 WeakPolarHBondContact O-CD 3.18Å; P97-F170 HydrophobicContact CB-CE1 4.2Å; P97-F170 HydrophobicContact CB-CZ 4.01Å; P97-F170 HydrophobicContact CG-CE1 4.26Å; P97-F170 HydrophobicContact CG-CZ 3.9Å; P97-W171 HydrophobicContact CB-CH2 3.7Å; P97-W171 HydrophobicContact CB-CZ3 3.86Å; P97-W171 HydrophobicContact CG-CH2 4.39Å; P97-W171 HydrophobicContact CG-CZ3 4.05Å; P97-H174 WeakPolarHBondContact CD-ND1 3.19Å; P97-H174 HydrophobicContact CG-CB 3.72Å; P97-H174 VanDerWaalsContact CG-CG 3.49Å; P97-R175 PolarHBondContact O-NH2 3.24Å
98E94.6Very high93.4Very high126 Ų12652.5 Ų52.559%0.58927%0.267SS*.  trans-79.4163.2-176-63.3-171.5-177.500112E96 T100 D101 Y102E96-E98 PolarHBondContact O-N 2.88Å; E98-T100 PolarHBondContact O-N 3.33Å; E98-D101 PolarHBondContact N-OD2 3.29Å; E98-D101 VanDerWaalsContact N-OD2 3.07Å; E98-D101 PolarHBondContact O-N 2.88Å; E98-Y102 PolarHBondContact O-N 3.23Å
99N96.1Very high93.4Very high83 Ų8346.4 Ų46.444%0.44424%0.243SC..Hα-helixtrans-64.9-25.9173.5-74-23.6000112.7A103 L130 F134 R175N99-A103 PolarHBondContact O-N 3.15Å; N99-L130 HydrophobicContact CB-CD2 3.82Å; N99-F134 HydrophobicContact CB-CE2 4Å; N99-F134 HydrophobicContact CB-CZ 3.87Å; N99-R175 PolarHBondContact OD1-NH2 3.06Å
100T96.6Very high93.2Very high47 Ų4747.6 Ų47.629%0.28825%0.254SS..Hα-helixtrans-64.9-43.8174.7-48.10000110.8E98 Y102 A103 V104 I141E98-T100 PolarHBondContact O-N 3.33Å; T100-Y102 VanDerWaalsContact C-N 3.34Å; T100-Y102 PolarHBondContact O-N 2.65Å; T100-A103 WeakPolarHBondContact O-CB 3.43Å; T100-A103 PolarHBondContact O-N 3.14Å; T100-V104 WeakPolarHBondContact O-CG2 3.23Å; T100-V104 PolarHBondContact O-N 3.05Å; T100-V104 VanDerWaalsContact O-N 3.08Å; T100-I141 HydrophobicContact CG2-CG1 4.39Å
101D96.4Very high92.9Very high69 Ų6948.5 Ų48.537%0.36926%0.26SS..Hα-helixtrans-63.6-41.4178.6-56.6-49.4000111.2E98 A103 V104 Y105 W171E98-D101 PolarHBondContact N-OD2 3.29Å; E98-D101 VanDerWaalsContact N-OD2 3.07Å; E98-D101 PolarHBondContact O-N 2.88Å; D101-A103 VanDerWaalsContact C-N 3.33Å; D101-A103 PolarHBondContact O-N 3.4Å; D101-V104 PolarHBondContact O-N 3.49Å; D101-Y105 PolarHBondContact O-N 2.84Å; D101-W171 HydrophobicContact CB-CH2 3.85Å; D101-W171 HydrophobicContact CB-CZ2 3.97Å
102Y97.9Very high92.6Very high5 Ų547.8 Ų47.82%0.0225%0.253CS..Hα-helixtrans-65.5-37.4177.2-169.2-136.9000112.1E98 T100 Y105 L106 L130 W171 R175E98-Y102 PolarHBondContact O-N 3.23Å; T100-Y102 VanDerWaalsContact C-N 3.34Å; T100-Y102 PolarHBondContact O-N 2.65Å; Y102-Y105 AromaticContact CD2-CD1 3.91Å; Y102-Y105 HydrophobicContact CD2-CD1 3.91Å; Y102-Y105 AromaticContact CE2-CD1 3.85Å; Y102-Y105 HydrophobicContact CE2-CD1 3.85Å; Y102-Y105 HydrophobicContact CE2-CE1 4.23Å; Y102-Y105 PolarHBondContact O-N 2.68Å; Y102-L106 HydrophobicContact CD1-CD1 4.04Å; Y102-L106 HydrophobicContact CD2-CD1 4.47Å; Y102-L106 HydrophobicContact CD2-CG 4.18Å; Y102-L106 HydrophobicContact CE1-CD1 3.64Å; Y102-L106 HydrophobicContact CE1-CG 4.32Å; Y102-L106 HydrophobicContact CE2-CD1 4.11Å; Y102-L106 HydrophobicContact CE2-CD2 3.92Å; Y102-L106 HydrophobicContact CE2-CG 3.88Å; Y102-L106 HydrophobicContact CG-CD1 4.43Å; Y102-L106 WeakPolarHBondContact O-CG 3.38Å; Y102-L106 PolarHBondContact O-N 3.44Å; Y102-L130 HydrophobicContact CD1-CD1 3.77Å; Y102-L130 HydrophobicContact CE1-CD1 4.4Å; Y102-L130 HydrophobicContact CG-CD1 4.47Å; Y102-W171 AromaticContact CD2-CD2 3.51Å; Y102-W171 HydrophobicContact CD2-CD2 3.51Å; Y102-W171 AromaticContact CD2-CE2 3.98Å; Y102-W171 AromaticContact CD2-CE3 3.41Å; Y102-W171 HydrophobicContact CD2-CE3 3.41Å; Y102-W171 VanDerWaalsContact CD2-CE3 3.41Å; Y102-W171 HydrophobicContact CD2-CG 4.01Å; Y102-W171 HydrophobicContact CD2-CH2 4.22Å; Y102-W171 HydrophobicContact CD2-CZ2 4.32Å; Y102-W171 AromaticContact CD2-CZ3 3.8Å; Y102-W171 HydrophobicContact CD2-CZ3 3.8Å; Y102-W171 HydrophobicContact CE2-CB 4.18Å; Y102-W171 HydrophobicContact CE2-CD2 4.07Å; Y102-W171 HydrophobicContact CE2-CE3 4.07Å; Y102-W171 HydrophobicContact CE2-CG 4.14Å; Y102-W171 HydrophobicContact CG-CD2 4.46Å; Y102-W171 HydrophobicContact CG-CE3 4.01Å; Y102-W171 HydrophobicContact CG-CH2 4.32Å; Y102-W171 AromaticContact CG-CZ3 3.95Å; Y102-W171 HydrophobicContact CG-CZ3 3.95Å; Y102-W171 VanDerWaalsContact N-CH2 3.34Å; Y102-R175 HydrophobicContact CD1-CB 4.5Å; Y102-R175 HydrophobicContact CD1-CG 3.8Å; Y102-R175 HydrophobicContact CD2-CG 4.07Å; Y102-R175 HydrophobicContact CE1-CB 4Å; Y102-R175 HydrophobicContact CE1-CG 3.8Å; Y102-R175 HydrophobicContact CE2-CB 4.09Å; Y102-R175 HydrophobicContact CE2-CG 4.08Å; Y102-R175 HydrophobicContact CG-CG 3.95Å
103A97.8Very high92.2Very high0 Ų052.3 Ų52.30%027%0.273CS..Hα-helixtrans-63.2-41.5174.900000112N99 T100 D101 C107 L130 F134 W138 I141N99-A103 PolarHBondContact O-N 3.15Å; T100-A103 WeakPolarHBondContact O-CB 3.43Å; T100-A103 PolarHBondContact O-N 3.14Å; D101-A103 VanDerWaalsContact C-N 3.33Å; D101-A103 PolarHBondContact O-N 3.4Å; A103-C107 WeakPolarHBondContact O-CB 3.21Å; A103-C107 PolarHBondContact O-N 3.43Å; A103-L130 HydrophobicContact CB-CB 4.13Å; A103-L130 HydrophobicContact CB-CD1 4.07Å; A103-F134 HydrophobicContact CB-CD2 4.32Å; A103-W138 HydrophobicContact CB-CZ3 4.28Å; A103-I141 HydrophobicContact CB-CD1 4.08Å; A103-I141 HydrophobicContact CB-CG2 4.05Å
104V97.9Very high92Very high2 Ų252 Ų521%0.01227%0.268CS..Hα-helixtrans-61.1-46.4174.2173.60000110.5T100 D101 C107 K108 I141 Q144 A145T100-V104 WeakPolarHBondContact O-CG2 3.23Å; T100-V104 PolarHBondContact O-N 3.05Å; T100-V104 VanDerWaalsContact O-N 3.08Å; D101-V104 PolarHBondContact O-N 3.49Å; V104-C107 PolarHBondContact O-N 3.43Å; V104-K108 VanDerWaalsContact O-CB 3.25Å; V104-K108 WeakPolarHBondContact O-CB 3.25Å; V104-K108 PolarHBondContact O-N 3.06Å; V104-I141 HydrophobicContact CG2-CB 4.46Å; V104-I141 HydrophobicContact CG2-CG2 3.88Å; V104-Q144 HydrophobicContact CG1-CB 4.43Å; V104-Q144 HydrophobicContact CG1-CG 4.04Å; V104-Q144 HydrophobicContact CG2-CB 4.27Å; V104-Q144 HydrophobicContact CG2-CG 4.19Å; V104-A145 HydrophobicContact CG1-CB 4.13Å
105Y97.7Very high92.3Very high5 Ų551.4 Ų51.42%0.0227%0.269CS..Hα-helixtrans-58.8-51.7177.8168.2-103.9000112.8D101 Y102 K108 R109 E167 R168 W171D101-Y105 PolarHBondContact O-N 2.84Å; Y102-Y105 AromaticContact CD2-CD1 3.91Å; Y102-Y105 HydrophobicContact CD2-CD1 3.91Å; Y102-Y105 AromaticContact CE2-CD1 3.85Å; Y102-Y105 HydrophobicContact CE2-CD1 3.85Å; Y102-Y105 HydrophobicContact CE2-CE1 4.23Å; Y102-Y105 PolarHBondContact O-N 2.68Å; Y105-K108 WeakPolarHBondContact O-CB 3.35Å; Y105-K108 PolarHBondContact O-N 2.87Å; Y105-R109 HydrophobicContact CE2-CG 4.27Å; Y105-R109 PolarHBondContact O-N 2.99Å; Y105-R109 VanDerWaalsContact OH-CD 3.24Å; Y105-R109 WeakPolarHBondContact OH-CD 3.41Å; Y105-R109 PolarHBondContact OH-NH1 2.96Å; Y105-R109 VanDerWaalsContact OH-NH1 3.1Å; Y105-E167 HydrophobicContact CD2-CG 3.85Å; Y105-E167 HydrophobicContact CE2-CB 4.47Å; Y105-E167 HydrophobicContact CE2-CG 3.84Å; Y105-R168 VanDerWaalsContact OH-CA 3.28Å; Y105-R168 WeakPolarHBondContact OH-CA 3.16Å; Y105-R168 WeakPolarHBondContact OH-CB 3.41Å; Y105-W171 HydrophobicContact CD1-CB 4.47Å; Y105-W171 AromaticContact CD1-CD1 3.41Å; Y105-W171 VanDerWaalsContact CD1-CD1 3.41Å; Y105-W171 HydrophobicContact CD1-CD2 4.43Å; Y105-W171 AromaticContact CD1-CG 3.87Å; Y105-W171 HydrophobicContact CD1-CG 3.87Å; Y105-W171 AromaticContact CD1-NE1 3.71Å; Y105-W171 AromaticContact CD2-CD1 3.49Å; Y105-W171 VanDerWaalsContact CD2-CD1 3.49Å; Y105-W171 AromaticContact CD2-NE1 3.54Å; Y105-W171 HydrophobicContact CE1-CB 4.15Å; Y105-W171 AromaticContact CE1-CD1 3.59Å; Y105-W171 AromaticContact CE1-CG 3.97Å; Y105-W171 HydrophobicContact CE1-CG 3.97Å; Y105-W171 AromaticContact CE2-CD1 3.65Å; Y105-W171 AromaticContact CG-CD1 3.35Å; Y105-W171 HydrophobicContact CG-CG 4.2Å; Y105-W171 AromaticContact CG-NE1 3.26Å; Y105-W171 VanDerWaalsContact CG-NE1 3.26Å; Y105-W171 AromaticContact CZ-CD1 3.69Å
106L97.6Very high92.3Very high0 Ų053 Ų530%028%0.275CS..Hα-helixtrans-64.2-42.8179.7-68.3-179.9000111.4Y102 K108 R109 T110 L119 E123 L127 L130Y102-L106 HydrophobicContact CD1-CD1 4.04Å; Y102-L106 HydrophobicContact CD2-CD1 4.47Å; Y102-L106 HydrophobicContact CD2-CG 4.18Å; Y102-L106 HydrophobicContact CE1-CD1 3.64Å; Y102-L106 HydrophobicContact CE1-CG 4.32Å; Y102-L106 HydrophobicContact CE2-CD1 4.11Å; Y102-L106 HydrophobicContact CE2-CD2 3.92Å; Y102-L106 HydrophobicContact CE2-CG 3.88Å; Y102-L106 HydrophobicContact CG-CD1 4.43Å; Y102-L106 WeakPolarHBondContact O-CG 3.38Å; Y102-L106 PolarHBondContact O-N 3.44Å; L106-K108 PolarHBondContact O-N 3.47Å; L106-R109 PolarHBondContact O-N 2.9Å; L106-T110 WeakPolarHBondContact O-CG2 3.41Å; L106-T110 PolarHBondContact O-N 2.97Å; L106-T110 VanDerWaalsContact O-N 3.13Å; L106-L119 HydrophobicContact CD2-CD2 3.83Å; L106-E123 HydrophobicContact CD2-CB 3.96Å; L106-E123 HydrophobicContact CD2-CG 4.42Å; L106-L127 HydrophobicContact CB-CB 4.4Å; L106-L127 HydrophobicContact CB-CD1 3.89Å; L106-L127 HydrophobicContact CD1-CB 3.99Å; L106-L130 HydrophobicContact CD1-CD1 4.1Å
107C96.7Very high92.4Very high4 Ų445.8 Ų45.83%0.02724%0.242CC..Hα-helixtrans-58.3-49.4174.6-172.70000110.7A103 V104 R109 T110 M111 W138 A145A103-C107 WeakPolarHBondContact O-CB 3.21Å; A103-C107 PolarHBondContact O-N 3.43Å; V104-C107 PolarHBondContact O-N 3.43Å; C107-R109 VanDerWaalsContact C-N 3.27Å; C107-R109 PolarHBondContact O-N 2.73Å; C107-T110 PolarHBondContact O-N 2.97Å; C107-T110 PolarHBondContact O-OG1 3.01Å; C107-M111 VanDerWaalsContact O-CG 3.3Å; C107-M111 WeakPolarHBondContact O-CG 3.47Å; C107-M111 PolarHBondContact O-N 3.16Å; C107-W138 HydrophobicContact CB-CH2 4.35Å; C107-W138 HydrophobicContact CB-CZ2 4.33Å; C107-A145 HydrophobicContact CB-CB 3.95Å
108K95.9Very high92.3Very high7 Ų751.8 Ų51.83%0.0327%0.269CS..Hα-helixtrans-55.6-40.8177.7-173.7-178.970.9173.70112V104 Y105 L106 M111 Q112 A145 Q148 A149 D152 E167V104-K108 VanDerWaalsContact O-CB 3.25Å; V104-K108 WeakPolarHBondContact O-CB 3.25Å; V104-K108 PolarHBondContact O-N 3.06Å; Y105-K108 WeakPolarHBondContact O-CB 3.35Å; Y105-K108 PolarHBondContact O-N 2.87Å; L106-K108 PolarHBondContact O-N 3.47Å; K108-M111 PolarHBondContact O-N 3.27Å; K108-Q112 WeakPolarHBondContact O-CG 3.22Å; K108-A145 HydrophobicContact CB-CB 4.05Å; K108-Q148 HydrophobicContact CD-CB 3.78Å; K108-A149 HydrophobicContact CG-CB 4.16Å; K108-D152 IonicContact NZ-OD2 3.57Å; K108-D152 PolarHBondContact NZ-OD2 3.37Å; K108-E167 IonicContact NZ-OE1 3.87Å; K108-E167 PolarHBondContact NZ-OE1 3.3Å; K108-E167 IonicContact NZ-OE2 2.86Å; K108-E167 PolarHBondContact NZ-OE2 3.08Å
109R94.9Very high92.3Very high11 Ų1147.2 Ų47.24%0.04225%0.248CC..Hα-helixtrans-64.1-45.5177.6-83.9-173.759.2-166.8-9.1113.1Y105 L106 C107 M111 Q112 L117 E118 L119 E123Y105-R109 HydrophobicContact CE2-CG 4.27Å; Y105-R109 PolarHBondContact O-N 2.99Å; Y105-R109 VanDerWaalsContact OH-CD 3.24Å; Y105-R109 WeakPolarHBondContact OH-CD 3.41Å; Y105-R109 PolarHBondContact OH-NH1 2.96Å; Y105-R109 VanDerWaalsContact OH-NH1 3.1Å; L106-R109 PolarHBondContact O-N 2.9Å; C107-R109 VanDerWaalsContact C-N 3.27Å; C107-R109 PolarHBondContact O-N 2.73Å; R109-M111 PolarHBondContact O-N 2.63Å; R109-Q112 PolarHBondContact O-N 2.91Å; R109-Q112 VanDerWaalsContact O-N 3.14Å; R109-L117 PolarHBondContact NE-O 3.01Å; R109-L117 PolarHBondContact NH2-O 3.42Å; R109-E118 PolarHBondContact NH2-O 3.04Å; R109-L119 HydrophobicContact CB-CD2 3.94Å; R109-E123 IonicContact CZ-OE1 3.65Å; R109-E123 IonicContact CZ-OE2 3.54Å; R109-E123 VanDerWaalsContact CZ-OE2 3.3Å; R109-E123 IonicContact NH1-OE1 2.97Å; R109-E123 PolarHBondContact NH1-OE1 3.19Å; R109-E123 IonicContact NH1-OE2 3.7Å; R109-E123 PolarHBondContact NH1-OE2 2.9Å; R109-E123 IonicContact NH2-OE1 3.99Å; R109-E123 IonicContact NH2-OE2 2.71Å; R109-E123 PolarHBondContact NH2-OE2 3.04Å
110T93.3Very high92.3Very high64 Ų6444.8 Ų44.839%0.39324%0.24SC..Hα-helixtrans-60.6-29.8178.162.30000112.8L106 C107 Q112 N113 L119 L127L106-T110 WeakPolarHBondContact O-CG2 3.41Å; L106-T110 PolarHBondContact O-N 2.97Å; L106-T110 VanDerWaalsContact O-N 3.13Å; C107-T110 PolarHBondContact O-N 2.97Å; C107-T110 PolarHBondContact O-OG1 3.01Å; T110-Q112 VanDerWaalsContact C-N 3.3Å; T110-Q112 PolarHBondContact O-N 3.22Å; T110-N113 PolarHBondContact O-OD1 3.2Å; T110-L119 HydrophobicContact CG2-CD1 3.49Å; T110-L119 VanDerWaalsContact CG2-CD1 3.49Å; T110-L119 HydrophobicContact CG2-CG 3.89Å; T110-L127 HydrophobicContact CG2-CD2 3.8Å
111M90.1Very high92.2Very high52 Ų5249.1 Ų49.126%0.25626%0.261SS..THydrogen-bonded Turntrans-76.2-13.1-179.5-61.8168.676.100114.1C107 K108 R109 F142 A145 E146C107-M111 VanDerWaalsContact O-CG 3.3Å; C107-M111 WeakPolarHBondContact O-CG 3.47Å; C107-M111 PolarHBondContact O-N 3.16Å; K108-M111 PolarHBondContact O-N 3.27Å; R109-M111 PolarHBondContact O-N 2.63Å; M111-F142 HydrophobicContact CE-CE1 4.36Å; M111-F142 HydrophobicContact CE-CE2 3.77Å; M111-F142 HydrophobicContact CE-CZ 3.69Å; M111-F142 HydrophobicContact CG-CE2 4.39Å; M111-F142 HydrophobicContact SD-CD2 4.32Å; M111-F142 HydrophobicContact SD-CE2 3.95Å; M111-F142 HydrophobicContact SD-CZ 4.47Å; M111-A145 HydrophobicContact SD-CB 4.11Å; M111-E146 HydrophobicContact CE-CB 3.72Å; M111-E146 HydrophobicContact CE-CG 3.69Å
112Q83.9Confident92.2Very high28 Ų2847.3 Ų47.313%0.13125%0.249CC..THydrogen-bonded Turntrans-82.2-14.9-173.4-66.9-14322.700114.3K108 R109 T110 K114 L117K108-Q112 WeakPolarHBondContact O-CG 3.22Å; R109-Q112 PolarHBondContact O-N 2.91Å; R109-Q112 VanDerWaalsContact O-N 3.14Å; T110-Q112 VanDerWaalsContact C-N 3.3Å; T110-Q112 PolarHBondContact O-N 3.22Å; Q112-K114 VanDerWaalsContact C-N 3.28Å; Q112-K114 WeakPolarHBondContact O-CG 3.42Å; Q112-K114 PolarHBondContact O-N 3Å; Q112-L117 HydrophobicContact CB-CD1 3.64Å; Q112-L117 HydrophobicContact CG-CD1 3.82Å
113N81.6Confident92.2Very high153 Ų15347.1 Ų47.182%0.81825%0.248SC*.  trans4745.7179.9-64.9-12.9000113.8T110T110-N113 PolarHBondContact O-OD1 3.2Å
114K84.4Confident92.2Very high76 Ų7649.2 Ų49.233%0.3327%0.266SS..  trans-126.1128.9176.4-68.3173-166.7154.90109.4Q112 R116 L117 E118Q112-K114 VanDerWaalsContact C-N 3.28Å; Q112-K114 WeakPolarHBondContact O-CG 3.42Å; Q112-K114 PolarHBondContact O-N 3Å; K114-R116 HydrophobicContact CB-CG 4.34Å; K114-R116 PolarHBondContact O-N 3.44Å; K114-R116 VanDerWaalsContact O-N 3.13Å; K114-L117 HydrophobicContact CB-CB 4.47Å; K114-L117 HydrophobicContact CB-CD1 4.49Å; K114-L117 HydrophobicContact CD-CD1 4.18Å; K114-L117 PolarHBondContact O-N 3.36Å; K114-E118 PolarHBondContact O-N 3.43Å
115A84Confident92.2Very high85 Ų8554.8 Ų54.870%0.70229%0.291SS*.G310 helixtrans-51.3-39.7177.800000113.3L117 E118A115-L117 PolarHBondContact O-N 2.98Å; A115-L117 VanDerWaalsContact O-N 3.07Å; A115-E118 VanDerWaalsContact O-CB 3.24Å; A115-E118 WeakPolarHBondContact O-CB 3.36Å; A115-E118 PolarHBondContact O-N 3.45Å; A115-E118 VanDerWaalsContact O-N 3.15Å
116R82.9Confident92.1Very high114 Ų11455.3 Ų55.343%0.4330%0.296SS..G310 helixtrans-64.3-13.1177.479177.5176.378.5-3.4115.4K114 D164K114-R116 HydrophobicContact CB-CG 4.34Å; K114-R116 PolarHBondContact O-N 3.44Å; K114-R116 VanDerWaalsContact O-N 3.13Å; R116-D164 IonicContact CZ-OD2 3.6Å; R116-D164 VanDerWaalsContact CZ-OD2 3.29Å; R116-D164 IonicContact NH1-OD2 3.29Å; R116-D164 PolarHBondContact NH1-OD2 3.44Å; R116-D164 IonicContact NH2-OD2 2.84Å; R116-D164 PolarHBondContact NH2-OD2 3.16Å
117L87.1Confident92.1Very high13 Ų1356 Ų567%0.06830%0.3CS..G310 helixtrans-1172.4-179-67.1179000111.8R109 Q112 K114 A115 D164R109-L117 PolarHBondContact NE-O 3.01Å; R109-L117 PolarHBondContact NH2-O 3.42Å; Q112-L117 HydrophobicContact CB-CD1 3.64Å; Q112-L117 HydrophobicContact CG-CD1 3.82Å; K114-L117 HydrophobicContact CB-CB 4.47Å; K114-L117 HydrophobicContact CB-CD1 4.49Å; K114-L117 HydrophobicContact CD-CD1 4.18Å; K114-L117 PolarHBondContact O-N 3.36Å; A115-L117 PolarHBondContact O-N 2.98Å; A115-L117 VanDerWaalsContact O-N 3.07Å; L117-D164 HydrophobicContact CD2-CB 4.31Å
118E91.6Very high92.2Very high144 Ų14457.7 Ų57.767%0.67331%0.314SS*.PPolyproline II helixtrans-55140.8173.9-172.4164.8-159.900109.6R109 K114 A115R109-E118 PolarHBondContact NH2-O 3.04Å; K114-E118 PolarHBondContact O-N 3.43Å; A115-E118 VanDerWaalsContact O-CB 3.24Å; A115-E118 WeakPolarHBondContact O-CB 3.36Å; A115-E118 PolarHBondContact O-N 3.45Å; A115-E118 VanDerWaalsContact O-N 3.15Å
119L94.3Very high92.3Very high30 Ų3063 Ų6316%0.15733%0.333CS..PPolyproline II helixtrans-72.7135.2-178.7-64.2-170.7000109.2L106 R109 T110 E123 A124 L127L106-L119 HydrophobicContact CD2-CD2 3.83Å; R109-L119 HydrophobicContact CB-CD2 3.94Å; T110-L119 HydrophobicContact CG2-CD1 3.49Å; T110-L119 VanDerWaalsContact CG2-CD1 3.49Å; T110-L119 HydrophobicContact CG2-CG 3.89Å; L119-E123 HydrophobicContact CB-CB 4.06Å; L119-E123 HydrophobicContact CD2-CB 4.24Å; L119-A124 HydrophobicContact CB-CB 4.35Å; L119-L127 HydrophobicContact CD1-CB 4.35Å; L119-L127 HydrophobicContact CD1-CD2 3.67Å
120A94.9Very high92.4Very high32 Ų3263.1 Ų63.126%0.26434%0.335SS..PPolyproline II helixtrans-67.1161.5164.400000110.3Y122 E123 A124A120-Y122 VanDerWaalsContact C-N 3.32Å; A120-Y122 HydrophobicContact CB-CD1 3.69Å; A120-Y122 HydrophobicContact CB-CE1 3.54Å; A120-Y122 PolarHBondContact O-N 3.48Å; A120-E123 HydrophobicContact CB-CG 4.23Å; A120-E123 PolarHBondContact N-OE2 3.14Å; A120-E123 WeakPolarHBondContact O-CA 3.26Å; A120-E123 WeakPolarHBondContact O-CB 3.39Å; A120-E123 PolarHBondContact O-N 3.39Å; A120-A124 PolarHBondContact O-N 2.9Å
121D96.2Very high92.6Very high138 Ų13864 Ų6474%0.73834%0.335SS*.Hα-helixtrans-54.6-45.8-176.4-64.1-30.5000112.5E123 A124 E125D121-E123 VanDerWaalsContact C-N 3.27Å; D121-E123 PolarHBondContact O-N 3.35Å; D121-A124 PolarHBondContact O-N 3.34Å; D121-E125 WeakPolarHBondContact O-CG 3.46Å; D121-E125 PolarHBondContact O-N 3.2Å
122Y96.5Very high93Very high31 Ų3170.1 Ų70.112%0.12236%0.355CS..Hα-helixtrans-64.7-30.4178.579.8-85.4000113.1H71 A120 S126 V177 P178H71-Y122 PolarHBondContact ND1-OH 3.49Å; H71-Y122 VanDerWaalsContact ND1-OH 3.15Å; A120-Y122 VanDerWaalsContact C-N 3.32Å; A120-Y122 HydrophobicContact CB-CD1 3.69Å; A120-Y122 HydrophobicContact CB-CE1 3.54Å; A120-Y122 PolarHBondContact O-N 3.48Å; Y122-S126 WeakPolarHBondContact O-CB 3.42Å; Y122-S126 PolarHBondContact O-N 3.13Å; Y122-S126 PolarHBondContact O-OG 2.78Å; Y122-V177 HydrophobicContact CE1-CG2 4Å; Y122-P178 HydrophobicContact CG-CG 4.4Å
123E97.4Very high93.6Very high1 Ų172.4 Ų72.41%0.00538%0.378CS..Hα-helixtrans-74.2-41.3175.7-61-173.611700110.5H71 L106 R109 L119 A120 D121 S126 L127H71-E123 IonicContact CE1-OE1 3.45Å; H71-E123 IonicContact CE1-OE2 2.66Å; H71-E123 IonicContact NE2-OE2 2.73Å; L106-E123 HydrophobicContact CD2-CB 3.96Å; L106-E123 HydrophobicContact CD2-CG 4.42Å; R109-E123 IonicContact CZ-OE1 3.65Å; R109-E123 IonicContact CZ-OE2 3.54Å; R109-E123 VanDerWaalsContact CZ-OE2 3.3Å; R109-E123 IonicContact NH1-OE1 2.97Å; R109-E123 PolarHBondContact NH1-OE1 3.19Å; R109-E123 IonicContact NH1-OE2 3.7Å; R109-E123 PolarHBondContact NH1-OE2 2.9Å; R109-E123 IonicContact NH2-OE1 3.99Å; R109-E123 IonicContact NH2-OE2 2.71Å; R109-E123 PolarHBondContact NH2-OE2 3.04Å; L119-E123 HydrophobicContact CB-CB 4.06Å; L119-E123 HydrophobicContact CD2-CB 4.24Å; A120-E123 HydrophobicContact CB-CG 4.23Å; A120-E123 PolarHBondContact N-OE2 3.14Å; A120-E123 WeakPolarHBondContact O-CA 3.26Å; A120-E123 WeakPolarHBondContact O-CB 3.39Å; A120-E123 PolarHBondContact O-N 3.39Å; D121-E123 VanDerWaalsContact C-N 3.27Å; D121-E123 PolarHBondContact O-N 3.35Å; E123-S126 WeakPolarHBondContact O-CB 3.3Å; E123-S126 PolarHBondContact O-N 3.4Å; E123-L127 WeakPolarHBondContact O-CB 3.31Å; E123-L127 PolarHBondContact O-N 2.9Å
124A96.9Very high94.4Very high44 Ų4467.3 Ų67.336%0.36435%0.349SS..Hα-helixtrans-63.3-42.6175.300000111.5L119 A120 D121 S126 L127 A128L119-A124 HydrophobicContact CB-CB 4.35Å; A120-A124 PolarHBondContact O-N 2.9Å; D121-A124 PolarHBondContact O-N 3.34Å; A124-S126 VanDerWaalsContact C-N 3.34Å; A124-S126 PolarHBondContact O-N 2.94Å; A124-L127 PolarHBondContact O-N 3.02Å; A124-A128 PolarHBondContact O-N 2.92Å
125E97.5Very high95Very high118 Ų11867 Ų6755%0.55136%0.36SS*.Hα-helixtrans-62.2-41.1172.1-72.2-177.2-175.900112.4D121 A128 R129D121-E125 WeakPolarHBondContact O-CG 3.46Å; D121-E125 PolarHBondContact O-N 3.2Å; E125-A128 PolarHBondContact O-N 3.32Å; E125-R129 WeakPolarHBondContact O-CG 3.33Å; E125-R129 PolarHBondContact O-N 2.91Å; E125-R129 IonicContact OE2-NH1 3.04Å
126S97.3Very high95.5Very high16 Ų1674.8 Ų74.811%0.11237%0.372CS..Hα-helixtrans-62-45.2175.5-63.70000111.2Y122 E123 A124 A128 R129 L130Y122-S126 WeakPolarHBondContact O-CB 3.42Å; Y122-S126 PolarHBondContact O-N 3.13Å; Y122-S126 PolarHBondContact O-OG 2.78Å; E123-S126 WeakPolarHBondContact O-CB 3.3Å; E123-S126 PolarHBondContact O-N 3.4Å; A124-S126 VanDerWaalsContact C-N 3.34Å; A124-S126 PolarHBondContact O-N 2.94Å; S126-A128 PolarHBondContact O-N 3.32Å; S126-R129 PolarHBondContact O-N 3.14Å; S126-R129 PolarHBondContact OG-NH2 2.96Å; S126-L130 WeakPolarHBondContact O-CD1 3.3Å; S126-L130 VanDerWaalsContact O-CG 3.23Å; S126-L130 WeakPolarHBondContact O-CG 3.4Å; S126-L130 PolarHBondContact O-N 3.47Å
127L97.8Very high96.1Very high15 Ų1576 Ų768%0.07938%0.38CS..Hα-helixtrans-58.5-46.4175-17859000111.3L106 T110 L119 E123 A124 R129 L130 Q131 W138L106-L127 HydrophobicContact CB-CB 4.4Å; L106-L127 HydrophobicContact CB-CD1 3.89Å; L106-L127 HydrophobicContact CD1-CB 3.99Å; T110-L127 HydrophobicContact CG2-CD2 3.8Å; L119-L127 HydrophobicContact CD1-CB 4.35Å; L119-L127 HydrophobicContact CD1-CD2 3.67Å; E123-L127 WeakPolarHBondContact O-CB 3.31Å; E123-L127 PolarHBondContact O-N 2.9Å; A124-L127 PolarHBondContact O-N 3.02Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-R129 PolarHBondContact O-N 2.96Å; L127-L130 PolarHBondContact O-N 3.35Å; L127-L130 VanDerWaalsContact O-N 3.16Å; L127-Q131 HydrophobicContact CD1-CG 4.35Å; L127-Q131 HydrophobicContact CG-CG 4.48Å; L127-Q131 WeakPolarHBondContact O-CB 3.41Å; L127-Q131 WeakPolarHBondContact O-CG 3.36Å; L127-Q131 PolarHBondContact O-N 3.08Å; L127-W138 HydrophobicContact CD1-CH2 3.55Å; L127-W138 HydrophobicContact CD1-CZ2 4.27Å; L127-W138 HydrophobicContact CD1-CZ3 4.45Å
128A97.9Very high96.6Very high39 Ų3977.9 Ų77.932%0.32239%0.387SS..Hα-helixtrans-62.4-36.617800000112.7A124 E125 S126 R132A124-A128 PolarHBondContact O-N 2.92Å; E125-A128 PolarHBondContact O-N 3.32Å; S126-A128 PolarHBondContact O-N 3.32Å; A128-R132 PolarHBondContact O-N 3.44Å; A128-R132 PolarHBondContact O-NE 3.01Å
129R97.9Very high96.9Very high118 Ų11878.6 Ų78.645%0.44539%0.39SS..Hα-helixtrans-65.3-44.4172.2-73.3-172.1-62.7-93.74.1111.7E125 S126 L127 R132 A133E125-R129 WeakPolarHBondContact O-CG 3.33Å; E125-R129 PolarHBondContact O-N 2.91Å; E125-R129 IonicContact OE2-NH1 3.04Å; S126-R129 PolarHBondContact O-N 3.14Å; S126-R129 PolarHBondContact OG-NH2 2.96Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-R129 PolarHBondContact O-N 2.96Å; R129-R132 PolarHBondContact O-N 3.3Å; R129-A133 PolarHBondContact O-N 2.84Å
130L97.8Very high97Very high14 Ų1483.9 Ų83.97%0.07341%0.412CS..Hα-helixtrans-68.3-39-179-66.3164.5000112.2N99 Y102 A103 L106 S126 L127 R132 A133 F134N99-L130 HydrophobicContact CB-CD2 3.82Å; Y102-L130 HydrophobicContact CD1-CD1 3.77Å; Y102-L130 HydrophobicContact CE1-CD1 4.4Å; Y102-L130 HydrophobicContact CG-CD1 4.47Å; A103-L130 HydrophobicContact CB-CB 4.13Å; A103-L130 HydrophobicContact CB-CD1 4.07Å; L106-L130 HydrophobicContact CD1-CD1 4.1Å; S126-L130 WeakPolarHBondContact O-CD1 3.3Å; S126-L130 VanDerWaalsContact O-CG 3.23Å; S126-L130 WeakPolarHBondContact O-CG 3.4Å; S126-L130 PolarHBondContact O-N 3.47Å; L127-L130 PolarHBondContact O-N 3.35Å; L127-L130 VanDerWaalsContact O-N 3.16Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 2.58Å; L130-A133 PolarHBondContact O-N 3.33Å; L130-F134 HydrophobicContact CB-CD2 4.29Å; L130-F134 HydrophobicContact CD2-CD2 4.27Å; L130-F134 HydrophobicContact CD2-CE2 3.7Å; L130-F134 WeakPolarHBondContact O-CB 3.28Å; L130-F134 WeakPolarHBondContact O-CD2 3.48Å; L130-F134 PolarHBondContact O-N 3.23Å
131Q97.6Very high97.1Very high84 Ų8482.6 Ų82.639%0.39340%0.401SS..Hα-helixtrans-58.5-42172.9-78.8177.1-20.600111.9L127 A135 W138L127-Q131 HydrophobicContact CD1-CG 4.35Å; L127-Q131 HydrophobicContact CG-CG 4.48Å; L127-Q131 WeakPolarHBondContact O-CB 3.41Å; L127-Q131 WeakPolarHBondContact O-CG 3.36Å; L127-Q131 PolarHBondContact O-N 3.08Å; Q131-A135 VanDerWaalsContact O-CA 3.27Å; Q131-A135 WeakPolarHBondContact O-CA 3.37Å; Q131-A135 WeakPolarHBondContact O-CB 3.43Å; Q131-A135 PolarHBondContact O-N 3.15Å; Q131-W138 HydrophobicContact CB-CE3 4.37Å; Q131-W138 HydrophobicContact CB-CZ3 4.29Å; Q131-W138 HydrophobicContact CG-CD2 4Å; Q131-W138 HydrophobicContact CG-CE3 3.79Å; Q131-W138 HydrophobicContact CG-CH2 3.38Å; Q131-W138 HydrophobicContact CG-CZ2 3.55Å; Q131-W138 HydrophobicContact CG-CZ3 3.47Å; Q131-W138 VanDerWaalsContact CG-CZ3 3.47Å
132R97.6Very high97.2Very high180 Ų18080.5 Ų80.568%0.67939%0.385SS*.Hα-helixtrans-66.2-45.2173.9-74.8-177.3-77.2123.7-13.4112A128 R129 L130 F134A128-R132 PolarHBondContact O-N 3.44Å; A128-R132 PolarHBondContact O-NE 3.01Å; R129-R132 PolarHBondContact O-N 3.3Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 2.58Å; R132-F134 PolarHBondContact O-N 2.83Å
133A97Very high97.2Very high75 Ų7584.8 Ų84.862%0.6241%0.408SS*.Hα-helixtrans-65.8-36.2-179.300000113.1R129 L130R129-A133 PolarHBondContact O-N 2.84Å; L130-A133 PolarHBondContact O-N 3.33Å
134F97.3Very high97.2Very high46 Ų4688.8 Ų88.820%0.20243%0.426CS..THydrogen-bonded Turntrans-110.822.4-175-57.9-52.7000113.9N99 A103 L130 R132 R136 K137 W138 I141N99-F134 HydrophobicContact CB-CE2 4Å; N99-F134 HydrophobicContact CB-CZ 3.87Å; A103-F134 HydrophobicContact CB-CD2 4.32Å; L130-F134 HydrophobicContact CB-CD2 4.29Å; L130-F134 HydrophobicContact CD2-CD2 4.27Å; L130-F134 HydrophobicContact CD2-CE2 3.7Å; L130-F134 WeakPolarHBondContact O-CB 3.28Å; L130-F134 WeakPolarHBondContact O-CD2 3.48Å; L130-F134 PolarHBondContact O-N 3.23Å; R132-F134 PolarHBondContact O-N 2.83Å; F134-R136 PolarHBondContact O-N 3.44Å; F134-K137 CarbonylContact O-C 3.42Å; F134-K137 WeakPolarHBondContact O-CA 3.5Å; F134-K137 PolarHBondContact O-N 3.37Å; F134-W138 PolarHBondContact O-N 3.29Å; F134-I141 HydrophobicContact CB-CD1 3.69Å; F134-I141 HydrophobicContact CD2-CD1 3.97Å; F134-I141 HydrophobicContact CG-CD1 4.03Å
135A96.9Very high97.2Very high69 Ų6986.7 Ų86.757%0.5741%0.409SS*.G310 helixtrans-49.1-41.9-173.400000113.9Q131 K137Q131-A135 VanDerWaalsContact O-CA 3.27Å; Q131-A135 WeakPolarHBondContact O-CA 3.37Å; Q131-A135 WeakPolarHBondContact O-CB 3.43Å; Q131-A135 PolarHBondContact O-N 3.15Å; A135-K137 VanDerWaalsContact C-N 3.33Å; A135-K137 PolarHBondContact O-N 3.49Å
136R96.2Very high97.1Very high249 Ų24984.5 Ų84.594%0.9440%0.399SS*.G310 helixtrans-72.7-21.1179.6-66.6-176.8176.5178.1-1.3114.7F134F134-R136 PolarHBondContact O-N 3.44Å
137K95.4Very high97.1Very high140 Ų14086.2 Ų86.261%0.60941%0.414SS*.G310 helixtrans-109.64.9-178.8-63.9-176.5179.2-178.30112.2F134 A135 E139 F140 I141F134-K137 CarbonylContact O-C 3.42Å; F134-K137 WeakPolarHBondContact O-CA 3.5Å; F134-K137 PolarHBondContact O-N 3.37Å; A135-K137 VanDerWaalsContact C-N 3.33Å; A135-K137 PolarHBondContact O-N 3.49Å; K137-E139 VanDerWaalsContact C-N 3.28Å; K137-E139 PolarHBondContact O-N 3.27Å; K137-F140 HydrophobicContact CB-CD2 4.4Å; K137-F140 PolarHBondContact O-N 3.15Å; K137-F140 VanDerWaalsContact O-N 3.09Å; K137-I141 PolarHBondContact O-N 3.33Å
138W97.1Very high97Very high53 Ų5388.6 Ų88.620%0.20142%0.424CS..Hα-helixtrans-61.5-35.9-171.7-170.5-102.6000112.8A103 C107 L127 Q131 F134 F140 I141 F142A103-W138 HydrophobicContact CB-CZ3 4.28Å; C107-W138 HydrophobicContact CB-CH2 4.35Å; C107-W138 HydrophobicContact CB-CZ2 4.33Å; L127-W138 HydrophobicContact CD1-CH2 3.55Å; L127-W138 HydrophobicContact CD1-CZ2 4.27Å; L127-W138 HydrophobicContact CD1-CZ3 4.45Å; Q131-W138 HydrophobicContact CB-CE3 4.37Å; Q131-W138 HydrophobicContact CB-CZ3 4.29Å; Q131-W138 HydrophobicContact CG-CD2 4Å; Q131-W138 HydrophobicContact CG-CE3 3.79Å; Q131-W138 HydrophobicContact CG-CH2 3.38Å; Q131-W138 HydrophobicContact CG-CZ2 3.55Å; Q131-W138 HydrophobicContact CG-CZ3 3.47Å; Q131-W138 VanDerWaalsContact CG-CZ3 3.47Å; F134-W138 PolarHBondContact O-N 3.29Å; W138-F140 VanDerWaalsContact C-N 3.29Å; W138-F140 PolarHBondContact O-N 2.93Å; W138-I141 HydrophobicContact CE3-CB 4.47Å; W138-I141 HydrophobicContact CE3-CD1 4.03Å; W138-I141 HydrophobicContact CE3-CG2 4.38Å; W138-I141 HydrophobicContact CH2-CG2 4.29Å; W138-I141 HydrophobicContact CZ3-CD1 4.23Å; W138-I141 HydrophobicContact CZ3-CG2 4.1Å; W138-I141 WeakPolarHBondContact O-CB 3.32Å; W138-I141 PolarHBondContact O-N 3.44Å; W138-F142 WeakPolarHBondContact O-CB 3.42Å; W138-F142 PolarHBondContact O-N 3.11Å
139E96.7Very high96.7Very high159 Ų15987.1 Ų87.174%0.74341%0.412SS*.Hα-helixtrans-59.1-39.2176.1-66.3-172.8164.600112.5K137 F142 M143K137-E139 VanDerWaalsContact C-N 3.28Å; K137-E139 PolarHBondContact O-N 3.27Å; E139-F142 PolarHBondContact O-N 3Å; E139-M143 WeakPolarHBondContact O-CB 3.31Å; E139-M143 PolarHBondContact O-N 3.46Å
140F97.3Very high96.6Very high140 Ų14086.6 Ų86.661%0.61441%0.413SS*.Hα-helixtrans-69.2-40.1176.6-59.4-71.4000111.9K137 W138 F142 M143 Q144K137-F140 HydrophobicContact CB-CD2 4.4Å; K137-F140 PolarHBondContact O-N 3.15Å; K137-F140 VanDerWaalsContact O-N 3.09Å; W138-F140 VanDerWaalsContact C-N 3.29Å; W138-F140 PolarHBondContact O-N 2.93Å; F140-F142 VanDerWaalsContact C-N 3.34Å; F140-M143 PolarHBondContact O-N 2.95Å; F140-Q144 WeakPolarHBondContact O-CB 3.4Å; F140-Q144 PolarHBondContact O-N 3.26Å
141I97.3Very high96.4Very high6 Ų689.7 Ų89.73%0.03143%0.433CS..Hα-helixtrans-60.5-46.2174.8-66.6173.7000110T100 A103 V104 F134 K137 W138 Q144 A145T100-I141 HydrophobicContact CG2-CG1 4.39Å; A103-I141 HydrophobicContact CB-CD1 4.08Å; A103-I141 HydrophobicContact CB-CG2 4.05Å; V104-I141 HydrophobicContact CG2-CB 4.46Å; V104-I141 HydrophobicContact CG2-CG2 3.88Å; F134-I141 HydrophobicContact CB-CD1 3.69Å; F134-I141 HydrophobicContact CD2-CD1 3.97Å; F134-I141 HydrophobicContact CG-CD1 4.03Å; K137-I141 PolarHBondContact O-N 3.33Å; W138-I141 HydrophobicContact CE3-CB 4.47Å; W138-I141 HydrophobicContact CE3-CD1 4.03Å; W138-I141 HydrophobicContact CE3-CG2 4.38Å; W138-I141 HydrophobicContact CH2-CG2 4.29Å; W138-I141 HydrophobicContact CZ3-CD1 4.23Å; W138-I141 HydrophobicContact CZ3-CG2 4.1Å; W138-I141 WeakPolarHBondContact O-CB 3.32Å; W138-I141 PolarHBondContact O-N 3.44Å; I141-Q144 PolarHBondContact O-N 3.08Å; I141-A145 WeakPolarHBondContact O-CB 3.31Å; I141-A145 PolarHBondContact O-N 3.26Å
142F97.6Very high96.1Very high93 Ų9387.1 Ų87.141%0.40842%0.422SS..Hα-helixtrans-62.7-45.6177.6-177.2-92.2000111.8M111 W138 E139 F140 Q144 A145 E146M111-F142 HydrophobicContact CE-CE1 4.36Å; M111-F142 HydrophobicContact CE-CE2 3.77Å; M111-F142 HydrophobicContact CE-CZ 3.69Å; M111-F142 HydrophobicContact CG-CE2 4.39Å; M111-F142 HydrophobicContact SD-CD2 4.32Å; M111-F142 HydrophobicContact SD-CE2 3.95Å; M111-F142 HydrophobicContact SD-CZ 4.47Å; W138-F142 WeakPolarHBondContact O-CB 3.42Å; W138-F142 PolarHBondContact O-N 3.11Å; E139-F142 PolarHBondContact O-N 3Å; F140-F142 VanDerWaalsContact C-N 3.34Å; F142-Q144 VanDerWaalsContact C-N 3.32Å; F142-Q144 PolarHBondContact O-N 3.21Å; F142-A145 PolarHBondContact O-N 3.3Å; F142-E146 WeakPolarHBondContact O-CB 3.39Å; F142-E146 PolarHBondContact O-N 2.83Å
143M96.8Very high95.7Very high122 Ų12285.2 Ų85.260%0.60142%0.418SS*.Hα-helixtrans-60.4-42177.7-171.6-178.5-62.100111.8E139 F140 E146 A147E139-M143 WeakPolarHBondContact O-CB 3.31Å; E139-M143 PolarHBondContact O-N 3.46Å; F140-M143 PolarHBondContact O-N 2.95Å; M143-E146 PolarHBondContact O-N 3.22Å; M143-A147 WeakPolarHBondContact O-CB 3.44Å; M143-A147 PolarHBondContact O-N 2.89Å
144Q97.7Very high95.5Very high84 Ų8490.2 Ų90.239%0.39343%0.426SS..Hα-helixtrans-65.8-44.9176.3-172.8176.8-13.800111.7V104 F140 I141 F142 E146 A147 Q148V104-Q144 HydrophobicContact CG1-CB 4.43Å; V104-Q144 HydrophobicContact CG1-CG 4.04Å; V104-Q144 HydrophobicContact CG2-CB 4.27Å; V104-Q144 HydrophobicContact CG2-CG 4.19Å; F140-Q144 WeakPolarHBondContact O-CB 3.4Å; F140-Q144 PolarHBondContact O-N 3.26Å; I141-Q144 PolarHBondContact O-N 3.08Å; F142-Q144 VanDerWaalsContact C-N 3.32Å; F142-Q144 PolarHBondContact O-N 3.21Å; Q144-E146 VanDerWaalsContact C-N 3.34Å; Q144-E146 PolarHBondContact O-N 3.29Å; Q144-A147 PolarHBondContact O-N 2.89Å; Q144-Q148 WeakPolarHBondContact O-CG 3.44Å; Q144-Q148 PolarHBondContact O-N 3.4Å
145A96.7Very high95.3Very high0 Ų093.8 Ų93.80%044%0.438CS..Hα-helixtrans-61.3-41.7176.200000111.9V104 C107 K108 M111 I141 F142 Q148 A149V104-A145 HydrophobicContact CG1-CB 4.13Å; C107-A145 HydrophobicContact CB-CB 3.95Å; K108-A145 HydrophobicContact CB-CB 4.05Å; M111-A145 HydrophobicContact SD-CB 4.11Å; I141-A145 WeakPolarHBondContact O-CB 3.31Å; I141-A145 PolarHBondContact O-N 3.26Å; F142-A145 PolarHBondContact O-N 3.3Å; A145-Q148 PolarHBondContact O-N 3.47Å; A145-A149 WeakPolarHBondContact O-CB 3.32Å; A145-A149 PolarHBondContact O-N 3.04Å
146E96.4Very high95.1Very high73 Ų7394.7 Ų94.734%0.34143%0.433SS..Hα-helixtrans-64.4-44.1176.9-160.4-158.9-167.500111.7M111 F142 M143 Q144 A149 K150M111-E146 HydrophobicContact CE-CB 3.72Å; M111-E146 HydrophobicContact CE-CG 3.69Å; F142-E146 WeakPolarHBondContact O-CB 3.39Å; F142-E146 PolarHBondContact O-N 2.83Å; M143-E146 PolarHBondContact O-N 3.22Å; Q144-E146 VanDerWaalsContact C-N 3.34Å; Q144-E146 PolarHBondContact O-N 3.29Å; E146-A149 PolarHBondContact O-N 3.26Å; E146-K150 WeakPolarHBondContact O-CG 3.44Å; E146-K150 PolarHBondContact O-N 3.27Å; E146-K150 WeakPolarHBondContact OE1-CE 3.5Å; E146-K150 IonicContact OE1-NZ 3.81Å; E146-K150 PolarHBondContact OE1-NZ 2.91Å; E146-K150 IonicContact OE2-NZ 2.74Å; E146-K150 PolarHBondContact OE2-NZ 3.43Å
147A96.6Very high94.8Very high52 Ų5291.4 Ų91.443%0.4343%0.426SS..Hα-helixtrans-60.7-44.617700000111.6M143 Q144 K150 V151M143-A147 WeakPolarHBondContact O-CB 3.44Å; M143-A147 PolarHBondContact O-N 2.89Å; Q144-A147 PolarHBondContact O-N 2.89Å; A147-K150 WeakPolarHBondContact O-CB 3.47Å; A147-K150 PolarHBondContact O-N 3.25Å; A147-V151 PolarHBondContact O-N 2.91Å
148Q94.9Very high94.5Very high64 Ų6488.9 Ų88.930%0.29942%0.418SS..Hα-helixtrans-62.5-46.5174.3-71.2-179.83.100111.6K108 Q144 A145 K150 V151 D152K108-Q148 HydrophobicContact CD-CB 3.78Å; Q144-Q148 WeakPolarHBondContact O-CG 3.44Å; Q144-Q148 PolarHBondContact O-N 3.4Å; A145-Q148 PolarHBondContact O-N 3.47Å; Q148-K150 VanDerWaalsContact C-N 3.25Å; Q148-K150 PolarHBondContact O-N 3.05Å; Q148-V151 WeakPolarHBondContact O-CA 3.34Å; Q148-V151 WeakPolarHBondContact O-CB 3.31Å; Q148-V151 PolarHBondContact O-N 3.03Å; Q148-D152 VanDerWaalsContact O-CG 3.31Å; Q148-D152 PolarHBondContact O-N 2.96Å
149A93.1Very high94.2Very high8 Ų889.4 Ų89.47%0.06642%0.423CS..Hα-helixtrans-59.8-34.2177.200000112.9K108 A145 E146 K153K108-A149 HydrophobicContact CG-CB 4.16Å; A145-A149 WeakPolarHBondContact O-CB 3.32Å; A145-A149 PolarHBondContact O-N 3.04Å; E146-A149 PolarHBondContact O-N 3.26Å; A149-K153 WeakPolarHBondContact O-CB 3.44Å; A149-K153 VanDerWaalsContact O-CG 3.27Å; A149-K153 WeakPolarHBondContact O-CG 3.17Å; A149-K153 PolarHBondContact O-N 2.83Å
150K94.4Very high94Very high107 Ų10783.9 Ų83.947%0.46540%0.395SS..Hα-helixtrans-65.9-38.3174-75.9167.3179.4163.30111.7E146 A147 Q148E146-K150 WeakPolarHBondContact O-CG 3.44Å; E146-K150 PolarHBondContact O-N 3.27Å; E146-K150 WeakPolarHBondContact OE1-CE 3.5Å; E146-K150 IonicContact OE1-NZ 3.81Å; E146-K150 PolarHBondContact OE1-NZ 2.91Å; E146-K150 IonicContact OE2-NZ 2.74Å; E146-K150 PolarHBondContact OE2-NZ 3.43Å; A147-K150 WeakPolarHBondContact O-CB 3.47Å; A147-K150 PolarHBondContact O-N 3.25Å; Q148-K150 VanDerWaalsContact C-N 3.25Å; Q148-K150 PolarHBondContact O-N 3.05Å
151V94Very high93.6Very high80 Ų8080.6 Ų80.649%0.48538%0.381SS..Hα-helixtrans-67.7-46.8174.1175.50000110.6A147 Q148 K153 K154A147-V151 PolarHBondContact O-N 2.91Å; Q148-V151 WeakPolarHBondContact O-CA 3.34Å; Q148-V151 WeakPolarHBondContact O-CB 3.31Å; Q148-V151 PolarHBondContact O-N 3.03Å; V151-K153 PolarHBondContact O-N 2.86Å; V151-K154 WeakPolarHBondContact O-CB 3.14Å; V151-K154 PolarHBondContact O-N 2.74Å
152D91.1Very high93.4Very high30 Ų3081.9 Ų81.916%0.1639%0.387CS..Hα-helixtrans-59.2-34.6179.2-64-16.9000111.5K108 Q148 K154 R155 R160K108-D152 IonicContact NZ-OD2 3.57Å; K108-D152 PolarHBondContact NZ-OD2 3.37Å; Q148-D152 VanDerWaalsContact O-CG 3.31Å; Q148-D152 PolarHBondContact O-N 2.96Å; D152-K154 PolarHBondContact O-N 2.75Å; D152-R155 PolarHBondContact O-N 3.19Å; D152-R160 HydrophobicContact CB-CG 4.45Å; D152-R160 VanDerWaalsContact O-CD 3.31Å; D152-R160 WeakPolarHBondContact O-CD 3.26Å; D152-R160 VanDerWaalsContact O-CZ 3.29Å; D152-R160 PolarHBondContact O-NE 3.34Å
153K90.1Very high93.2Very high140 Ų14081 Ų8161%0.60939%0.386SS*.Hα-helixtrans-64-24.8177-80173.6-175.7177.80114.4A149 V151 R160A149-K153 WeakPolarHBondContact O-CB 3.44Å; A149-K153 VanDerWaalsContact O-CG 3.27Å; A149-K153 WeakPolarHBondContact O-CG 3.17Å; A149-K153 PolarHBondContact O-N 2.83Å; V151-K153 PolarHBondContact O-N 2.86Å; K153-R160 PolarHBondContact O-NH2 3.15Å
154K93.1Very high93Very high179 Ų17975.7 Ų75.778%0.77836%0.361SS*.Hα-helixtrans-77.9-19.3178.8-62.7176.9-178.8-1790113.3V151 D152V151-K154 WeakPolarHBondContact O-CB 3.14Å; V151-K154 PolarHBondContact O-N 2.74Å; D152-K154 PolarHBondContact O-N 2.75Å
155R92Very high92.9Very high122 Ų12272.4 Ų72.446%0.4635%0.347SS..SBendtrans-76.2155.5178.6-61.9-67.4-179.2165.1-5.2111.6D152 E159 R160D152-R155 PolarHBondContact O-N 3.19Å; R155-E159 VanDerWaalsContact CD-OE2 3.29Å; R155-E159 WeakPolarHBondContact CD-OE2 3.49Å; R155-E159 IonicContact CZ-OE1 2.75Å; R155-E159 IonicContact NH1-OE1 2.69Å; R155-E159 PolarHBondContact NH1-OE1 3.27Å; R155-E159 IonicContact NH1-OE2 3.25Å; R155-R160 HydrophobicContact CB-CB 4.33Å; R155-R160 PolarHBondContact O-NH2 2.84Å
156D93.6Very high92.9Very high88 Ų8873.6 Ų73.647%0.47135%0.352SS..  trans-65.2159.5175.381.873.8000111.3I158 E159 R160D156-I158 VanDerWaalsContact C-N 3.27Å; D156-I158 PolarHBondContact O-N 3.27Å; D156-I158 WeakPolarHBondContact OD1-CA 3.4Å; D156-I158 VanDerWaalsContact OD1-CB 3.31Å; D156-I158 WeakPolarHBondContact OD1-CB 3.18Å; D156-I158 PolarHBondContact OD1-N 3.33Å; D156-E159 PolarHBondContact OD1-N 3.32Å; D156-E159 WeakPolarHBondContact OD2-CB 3.46Å; D156-R160 WeakPolarHBondContact O-CB 3.32Å; D156-R160 PolarHBondContact O-N 3.2Å
157K89.6Confident93Very high180 Ų18072 Ų7278%0.78335%0.345SS*.Hα-helixtrans-63.6-33.4-173.1-176.2178.5178.5179.80112.7K161K157-K161 PolarHBondContact O-N 3.05Å
158I88.8Confident93Very high87 Ų8770.7 Ų70.745%0.44633%0.329SS..Hα-helixtrans-78.2-51.4-175.6-61.8-179.5000109P28 D156 R160 K161 I162P28-I158 HydrophobicContact CB-CG2 4.14Å; P28-I158 HydrophobicContact CG-CG2 3.68Å; D156-I158 VanDerWaalsContact C-N 3.27Å; D156-I158 PolarHBondContact O-N 3.27Å; D156-I158 WeakPolarHBondContact OD1-CA 3.4Å; D156-I158 VanDerWaalsContact OD1-CB 3.31Å; D156-I158 WeakPolarHBondContact OD1-CB 3.18Å; D156-I158 PolarHBondContact OD1-N 3.33Å; I158-R160 VanDerWaalsContact C-N 3.34Å; I158-R160 PolarHBondContact O-N 3.41Å; I158-K161 PolarHBondContact O-N 3.16Å; I158-K161 VanDerWaalsContact O-N 3.16Å; I158-I162 HydrophobicContact CG2-CD1 4.5Å; I158-I162 PolarHBondContact O-N 3.18Å
159E90.6Very high93.1Very high64 Ų6467.6 Ų67.630%0.29931%0.314SS..Hα-helixtrans-55.6-48.5175.8-177.7-171-167.100110.8R155 D156 K161 I162 L163R155-E159 VanDerWaalsContact CD-OE2 3.29Å; R155-E159 WeakPolarHBondContact CD-OE2 3.49Å; R155-E159 IonicContact CZ-OE1 2.75Å; R155-E159 IonicContact NH1-OE1 2.69Å; R155-E159 PolarHBondContact NH1-OE1 3.27Å; R155-E159 IonicContact NH1-OE2 3.25Å; D156-E159 PolarHBondContact OD1-N 3.32Å; D156-E159 WeakPolarHBondContact OD2-CB 3.46Å; E159-K161 VanDerWaalsContact C-N 3.31Å; E159-K161 PolarHBondContact O-N 2.58Å; E159-I162 WeakPolarHBondContact O-CB 3.44Å; E159-I162 PolarHBondContact O-N 3.06Å; E159-L163 HydrophobicContact CG-CD1 4.02Å; E159-L163 PolarHBondContact O-N 3.36Å
160R91.9Very high93.4Very high43 Ų4367.8 Ų67.816%0.16231%0.314CS..Hα-helixtrans-59-39.9177.9-164.7-170-35.4-172.2-1.5112.8D152 K153 R155 D156 I158 I162 L163 D164D152-R160 HydrophobicContact CB-CG 4.45Å; D152-R160 VanDerWaalsContact O-CD 3.31Å; D152-R160 WeakPolarHBondContact O-CD 3.26Å; D152-R160 VanDerWaalsContact O-CZ 3.29Å; D152-R160 PolarHBondContact O-NE 3.34Å; K153-R160 PolarHBondContact O-NH2 3.15Å; R155-R160 HydrophobicContact CB-CB 4.33Å; R155-R160 PolarHBondContact O-NH2 2.84Å; D156-R160 WeakPolarHBondContact O-CB 3.32Å; D156-R160 PolarHBondContact O-N 3.2Å; I158-R160 VanDerWaalsContact C-N 3.34Å; I158-R160 PolarHBondContact O-N 3.41Å; R160-I162 VanDerWaalsContact C-N 3.27Å; R160-I162 PolarHBondContact O-N 2.63Å; R160-L163 PolarHBondContact O-N 3.19Å; R160-D164 WeakPolarHBondContact O-CB 3.5Å; R160-D164 PolarHBondContact O-N 3.24Å
161K90.1Very high93.6Very high70 Ų7063.2 Ų63.230%0.30429%0.294SS..Hα-helixtrans-65-33.6177.7-170.7-177.5177.3-176.50111.6K157 I158 E159 S165K157-K161 PolarHBondContact O-N 3.05Å; I158-K161 PolarHBondContact O-N 3.16Å; I158-K161 VanDerWaalsContact O-N 3.16Å; E159-K161 VanDerWaalsContact C-N 3.31Å; E159-K161 PolarHBondContact O-N 2.58Å; K161-S165 PolarHBondContact O-N 3.04Å; K161-S165 PolarHBondContact O-OG 3.48Å
162I91.8Very high93.8Very high34 Ų3459.7 Ų59.717%0.17427%0.272CS..Hα-helixtrans-71.7-50.4176.8-64.5169.5000109.9P28 I158 E159 R160 D164 S165 Q166P28-I162 HydrophobicContact CG-CD1 3.93Å; P28-I162 HydrophobicContact CG-CG1 4.2Å; I158-I162 HydrophobicContact CG2-CD1 4.5Å; I158-I162 PolarHBondContact O-N 3.18Å; E159-I162 WeakPolarHBondContact O-CB 3.44Å; E159-I162 PolarHBondContact O-N 3.06Å; R160-I162 VanDerWaalsContact C-N 3.27Å; R160-I162 PolarHBondContact O-N 2.63Å; I162-D164 PolarHBondContact O-N 3.02Å; I162-S165 PolarHBondContact O-N 3.24Å; I162-S165 VanDerWaalsContact O-N 3.09Å; I162-S165 PolarHBondContact O-OG 3.23Å; I162-Q166 HydrophobicContact CG2-CG 4.46Å; I162-Q166 PolarHBondContact O-N 3.09Å
163L94.1Very high94.1Very high74 Ų7458.8 Ų58.839%0.38727%0.268SS..Hα-helixtrans-59.5-45.9179.3-70172.7000112.1E159 R160 S165 Q166 E167E159-L163 HydrophobicContact CG-CD1 4.02Å; E159-L163 PolarHBondContact O-N 3.36Å; R160-L163 PolarHBondContact O-N 3.19Å; L163-S165 PolarHBondContact O-N 3.41Å; L163-Q166 PolarHBondContact O-N 3.5Å; L163-Q166 VanDerWaalsContact O-N 3.15Å; L163-E167 PolarHBondContact O-N 3.27Å
164D93.6Very high94.4Very high11 Ų1152.9 Ų52.96%0.05924%0.242CC..Hα-helixtrans-55.4-40.4175.6-67.6-20.7000111.2R116 L117 R160 I162 R168R116-D164 IonicContact CZ-OD2 3.6Å; R116-D164 VanDerWaalsContact CZ-OD2 3.29Å; R116-D164 IonicContact NH1-OD2 3.29Å; R116-D164 PolarHBondContact NH1-OD2 3.44Å; R116-D164 IonicContact NH2-OD2 2.84Å; R116-D164 PolarHBondContact NH2-OD2 3.16Å; L117-D164 HydrophobicContact CD2-CB 4.31Å; R160-D164 WeakPolarHBondContact O-CB 3.5Å; R160-D164 PolarHBondContact O-N 3.24Å; I162-D164 PolarHBondContact O-N 3.02Å; D164-R168 WeakPolarHBondContact O-CB 3.37Å; D164-R168 PolarHBondContact O-N 3.36Å
165S94.8Very high94.6Very high15 Ų1547.2 Ų47.211%0.10522%0.216CC..Hα-helixtrans-74.8-32.5-17970.90000113.3F66 R83 K161 I162 L163 A169F66-S165 WeakPolarHBondContact CE2-O 3.24Å; R83-S165 PolarHBondContact NH1-OG 3.02Å; K161-S165 PolarHBondContact O-N 3.04Å; K161-S165 PolarHBondContact O-OG 3.48Å; I162-S165 PolarHBondContact O-N 3.24Å; I162-S165 VanDerWaalsContact O-N 3.09Å; I162-S165 PolarHBondContact O-OG 3.23Å; L163-S165 PolarHBondContact O-N 3.41Å; S165-A169 WeakPolarHBondContact O-CB 3.4Å; S165-A169 PolarHBondContact O-N 2.8Å
166Q97Very high94.9Very high25 Ų2543 Ų4312%0.11720%0.204CC..Hα-helixtrans-70.1-42.7175.8-77.5178.3-31.200111.1F66 Q85 F89 I162 L163 A169 F170F66-Q166 HydrophobicContact CE1-CG 4.02Å; F66-Q166 HydrophobicContact CZ-CB 4.43Å; F66-Q166 HydrophobicContact CZ-CG 3.8Å; Q85-Q166 PolarHBondContact NE2-O 3.29Å; Q85-Q166 VanDerWaalsContact OE1-CB 3.27Å; F89-Q166 HydrophobicContact CD2-CB 4.36Å; F89-Q166 HydrophobicContact CE2-CB 4.41Å; I162-Q166 HydrophobicContact CG2-CG 4.46Å; I162-Q166 PolarHBondContact O-N 3.09Å; L163-Q166 PolarHBondContact O-N 3.5Å; L163-Q166 VanDerWaalsContact O-N 3.15Å; Q166-A169 PolarHBondContact O-N 3.4Å; Q166-F170 PolarHBondContact O-N 2.89Å
167E97.1Very high95Very high38 Ų3840.2 Ų40.218%0.17819%0.19CC..Hα-helixtrans-65.5-39.6174.1-170.4-176.2-156.900111.5F89 Y105 K108 L163 F170 W171F89-E167 HydrophobicContact CE2-CB 4.41Å; F89-E167 HydrophobicContact CZ-CB 4.43Å; Y105-E167 HydrophobicContact CD2-CG 3.85Å; Y105-E167 HydrophobicContact CE2-CB 4.47Å; Y105-E167 HydrophobicContact CE2-CG 3.84Å; K108-E167 IonicContact NZ-OE1 3.87Å; K108-E167 PolarHBondContact NZ-OE1 3.3Å; K108-E167 IonicContact NZ-OE2 2.86Å; K108-E167 PolarHBondContact NZ-OE2 3.08Å; L163-E167 PolarHBondContact O-N 3.27Å; E167-F170 WeakPolarHBondContact O-CB 3.43Å; E167-F170 PolarHBondContact O-N 3.45Å; E167-W171 PolarHBondContact O-N 3.28Å
168R97.4Very high95.4Very high25 Ų2536.3 Ų36.39%0.09418%0.184CC..Hα-helixtrans-56.7-51.7170.4-178.8-172.562.485.7-14.5111.4P67 I68 D70 Y105 D164 F170 W171 D172P67-R168 PolarHBondContact O-NH2 3.27Å; I68-R168 PolarHBondContact O-NH2 3.13Å; D70-R168 PolarHBondContact O-NH1 2.9Å; D70-R168 PolarHBondContact O-NH2 3.28Å; Y105-R168 VanDerWaalsContact OH-CA 3.28Å; Y105-R168 WeakPolarHBondContact OH-CA 3.16Å; Y105-R168 WeakPolarHBondContact OH-CB 3.41Å; D164-R168 WeakPolarHBondContact O-CB 3.37Å; D164-R168 PolarHBondContact O-N 3.36Å; R168-F170 VanDerWaalsContact C-N 3.26Å; R168-F170 PolarHBondContact O-N 3.37Å; R168-W171 CarbonylContact O-C 3.57Å; R168-W171 PolarHBondContact O-N 3.15Å; R168-D172 IonicContact CZ-OD2 3.29Å; R168-D172 IonicContact NH1-OD2 2.75Å; R168-D172 PolarHBondContact NH1-OD2 3.32Å; R168-D172 VanDerWaalsContact O-CG 3.3Å; R168-D172 PolarHBondContact O-N 3.3Å
169A98Very high95.7Very high0 Ų036.4 Ų36.40%021%0.206CC..Hα-helixtrans-63-31.2-178.800000113.4F66 S165 Q166 D172 V173F66-A169 HydrophobicContact CB-CB 3.65Å; F66-A169 HydrophobicContact CD1-CB 3.29Å; F66-A169 HydrophobicContact CD2-CB 3.64Å; F66-A169 HydrophobicContact CE1-CB 3.75Å; F66-A169 HydrophobicContact CE2-CB 4.06Å; F66-A169 HydrophobicContact CG-CB 3.23Å; F66-A169 HydrophobicContact CZ-CB 4.11Å; S165-A169 WeakPolarHBondContact O-CB 3.4Å; S165-A169 PolarHBondContact O-N 2.8Å; Q166-A169 PolarHBondContact O-N 3.4Å; A169-D172 PolarHBondContact O-N 3.29Å; A169-V173 PolarHBondContact O-N 3.44Å
170F98.3Very high96Very high12 Ų1235.8 Ų35.85%0.05321%0.208CC..Hα-helixtrans-60.8-48.1170169-96.4000111.1F89 W95 P97 Q166 E167 R168 D172 V173 H174F89-F170 HydrophobicContact CB-CB 4.18Å; F89-F170 HydrophobicContact CB-CD2 3.92Å; F89-F170 HydrophobicContact CB-CG 4.43Å; F89-F170 HydrophobicContact CD1-CB 3.95Å; F89-F170 HydrophobicContact CD1-CD1 4.41Å; F89-F170 AromaticContact CD1-CD2 3.49Å; F89-F170 HydrophobicContact CD1-CD2 3.49Å; F89-F170 VanDerWaalsContact CD1-CD2 3.49Å; F89-F170 HydrophobicContact CD1-CE2 4.04Å; F89-F170 AromaticContact CD1-CG 3.69Å; F89-F170 HydrophobicContact CD1-CG 3.69Å; F89-F170 HydrophobicContact CD2-CB 4.31Å; F89-F170 HydrophobicContact CE1-CB 4.39Å; F89-F170 HydrophobicContact CE1-CD1 4.45Å; F89-F170 HydrophobicContact CE1-CD2 4.28Å; F89-F170 HydrophobicContact CE1-CG 4.12Å; F89-F170 HydrophobicContact CG-CB 3.92Å; F89-F170 AromaticContact CG-CD2 3.97Å; F89-F170 HydrophobicContact CG-CD2 3.97Å; F89-F170 HydrophobicContact CG-CG 4.13Å; W95-F170 HydrophobicContact CB-CE2 4.02Å; W95-F170 HydrophobicContact CB-CZ 4.32Å; W95-F170 AromaticContact CD1-CE2 3.9Å; W95-F170 AromaticContact CD2-CE2 3.99Å; W95-F170 HydrophobicContact CD2-CE2 3.99Å; W95-F170 HydrophobicContact CD2-CZ 4.23Å; W95-F170 HydrophobicContact CE3-CZ 4.38Å; W95-F170 AromaticContact CG-CE2 3.72Å; W95-F170 HydrophobicContact CG-CE2 3.72Å; W95-F170 HydrophobicContact CG-CZ 4.22Å; P97-F170 HydrophobicContact CB-CE1 4.2Å; P97-F170 HydrophobicContact CB-CZ 4.01Å; P97-F170 HydrophobicContact CG-CE1 4.26Å; P97-F170 HydrophobicContact CG-CZ 3.9Å; Q166-F170 PolarHBondContact O-N 2.89Å; E167-F170 WeakPolarHBondContact O-CB 3.43Å; E167-F170 PolarHBondContact O-N 3.45Å; R168-F170 VanDerWaalsContact C-N 3.26Å; R168-F170 PolarHBondContact O-N 3.37Å; F170-D172 VanDerWaalsContact C-N 3.34Å; F170-D172 PolarHBondContact O-N 2.79Å; F170-V173 WeakPolarHBondContact O-CB 3.42Å; F170-V173 PolarHBondContact O-N 3.34Å; F170-H174 AromaticContact CD2-CD2 3.62Å; F170-H174 AromaticContact CD2-NE2 3.8Å; F170-H174 AromaticContact CE1-CD2 3.97Å; F170-H174 AromaticContact CE2-CD2 3.28Å; F170-H174 WeakPolarHBondContact CE2-CD2 3.13Å; F170-H174 AromaticContact CE2-NE2 3.22Å; F170-H174 WeakPolarHBondContact CE2-NE2 3.35Å; F170-H174 AromaticContact CZ-CD2 3.48Å; F170-H174 VanDerWaalsContact CZ-CD2 3.48Å; F170-H174 WeakPolarHBondContact CZ-CD2 3.49Å; F170-H174 AromaticContact CZ-NE2 3.71Å; F170-H174 PolarHBondContact O-CD2 3.37Å; F170-H174 VanDerWaalsContact O-CD2 3.28Å; F170-H174 PolarHBondContact O-N 3.06Å
171W98.1Very high96.2Very high11 Ų1139.7 Ų39.74%0.04224%0.236CC..Hα-helixtrans-68.8-30.7177.5-72.3114000113.4P97 D101 Y102 Y105 E167 R168 V173 H174 R175P97-W171 HydrophobicContact CB-CH2 3.7Å; P97-W171 HydrophobicContact CB-CZ3 3.86Å; P97-W171 HydrophobicContact CG-CH2 4.39Å; P97-W171 HydrophobicContact CG-CZ3 4.05Å; D101-W171 HydrophobicContact CB-CH2 3.85Å; D101-W171 HydrophobicContact CB-CZ2 3.97Å; Y102-W171 AromaticContact CD2-CD2 3.51Å; Y102-W171 HydrophobicContact CD2-CD2 3.51Å; Y102-W171 AromaticContact CD2-CE2 3.98Å; Y102-W171 AromaticContact CD2-CE3 3.41Å; Y102-W171 HydrophobicContact CD2-CE3 3.41Å; Y102-W171 VanDerWaalsContact CD2-CE3 3.41Å; Y102-W171 HydrophobicContact CD2-CG 4.01Å; Y102-W171 HydrophobicContact CD2-CH2 4.22Å; Y102-W171 HydrophobicContact CD2-CZ2 4.32Å; Y102-W171 AromaticContact CD2-CZ3 3.8Å; Y102-W171 HydrophobicContact CD2-CZ3 3.8Å; Y102-W171 HydrophobicContact CE2-CB 4.18Å; Y102-W171 HydrophobicContact CE2-CD2 4.07Å; Y102-W171 HydrophobicContact CE2-CE3 4.07Å; Y102-W171 HydrophobicContact CE2-CG 4.14Å; Y102-W171 HydrophobicContact CG-CD2 4.46Å; Y102-W171 HydrophobicContact CG-CE3 4.01Å; Y102-W171 HydrophobicContact CG-CH2 4.32Å; Y102-W171 AromaticContact CG-CZ3 3.95Å; Y102-W171 HydrophobicContact CG-CZ3 3.95Å; Y102-W171 VanDerWaalsContact N-CH2 3.34Å; Y105-W171 HydrophobicContact CD1-CB 4.47Å; Y105-W171 AromaticContact CD1-CD1 3.41Å; Y105-W171 VanDerWaalsContact CD1-CD1 3.41Å; Y105-W171 HydrophobicContact CD1-CD2 4.43Å; Y105-W171 AromaticContact CD1-CG 3.87Å; Y105-W171 HydrophobicContact CD1-CG 3.87Å; Y105-W171 AromaticContact CD1-NE1 3.71Å; Y105-W171 AromaticContact CD2-CD1 3.49Å; Y105-W171 VanDerWaalsContact CD2-CD1 3.49Å; Y105-W171 AromaticContact CD2-NE1 3.54Å; Y105-W171 HydrophobicContact CE1-CB 4.15Å; Y105-W171 AromaticContact CE1-CD1 3.59Å; Y105-W171 AromaticContact CE1-CG 3.97Å; Y105-W171 HydrophobicContact CE1-CG 3.97Å; Y105-W171 AromaticContact CE2-CD1 3.65Å; Y105-W171 AromaticContact CG-CD1 3.35Å; Y105-W171 HydrophobicContact CG-CG 4.2Å; Y105-W171 AromaticContact CG-NE1 3.26Å; Y105-W171 VanDerWaalsContact CG-NE1 3.26Å; Y105-W171 AromaticContact CZ-CD1 3.69Å; E167-W171 PolarHBondContact O-N 3.28Å; R168-W171 CarbonylContact O-C 3.57Å; R168-W171 PolarHBondContact O-N 3.15Å; W171-V173 PolarHBondContact O-N 2.89Å; W171-H174 HydrophobicContact CE3-CB 4.3Å; W171-H174 PolarHBondContact O-N 2.79Å; W171-R175 HydrophobicContact CE3-CB 4.5Å; W171-R175 HydrophobicContact CE3-CG 3.8Å; W171-R175 HydrophobicContact CZ3-CG 4.08Å; W171-R175 CarbonylContact O-C 3.49Å; W171-R175 WeakPolarHBondContact O-CA 3.26Å; W171-R175 PolarHBondContact O-N 3.27Å
172D98.1Very high96.5Very high5 Ų538.2 Ų38.23%0.02723%0.232CC..Hα-helixtrans-63.7-23.5173.9-64.8-27.6000112.4H71 L73 R168 A169 F170 P176H71-D172 IonicContact CE1-OD1 2.91Å; H71-D172 IonicContact CG-OD1 3.43Å; H71-D172 IonicContact ND1-OD1 3.51Å; H71-D172 PolarHBondContact ND1-OD1 2.99Å; H71-D172 IonicContact ND1-OD2 2.63Å; L73-D172 HydrophobicContact CD1-CB 3.86Å; L73-D172 HydrophobicContact CD2-CB 4.01Å; L73-D172 HydrophobicContact CG-CB 3.88Å; R168-D172 IonicContact CZ-OD2 3.29Å; R168-D172 IonicContact NH1-OD2 2.75Å; R168-D172 PolarHBondContact NH1-OD2 3.32Å; R168-D172 VanDerWaalsContact O-CG 3.3Å; R168-D172 PolarHBondContact O-N 3.3Å; A169-D172 PolarHBondContact O-N 3.29Å; F170-D172 VanDerWaalsContact C-N 3.34Å; F170-D172 PolarHBondContact O-N 2.79Å; D172-P176 VanDerWaalsContact O-CA 3.27Å; D172-P176 WeakPolarHBondContact O-CA 3.44Å; D172-P176 WeakPolarHBondContact O-CB 3.42Å
173V97.8Very high96.7Very high12 Ų1238.4 Ų38.47%0.07323%0.234CC..Hα-helixtrans-79.1-50.3170.2175.50000111.3L73 A169 F170 W171 T184L73-V173 HydrophobicContact CD1-CB 4.42Å; L73-V173 HydrophobicContact CD1-CG2 3.43Å; L73-V173 VanDerWaalsContact CD1-CG2 3.43Å; A169-V173 PolarHBondContact O-N 3.44Å; F170-V173 WeakPolarHBondContact O-CB 3.42Å; F170-V173 PolarHBondContact O-N 3.34Å; W171-V173 PolarHBondContact O-N 2.89Å; V173-T184 HydrophobicContact CG1-CG2 3.85Å
174H97.1Very high96.7Very high15 Ų1537.5 Ų37.57%0.06923%0.232CC..Hα-helixtrans-84.9-18.8-170.2-71.7-78.3000114.5W95 P97 F170 W171W95-H174 PolarHBondContact O-CE1 2.79Å; P97-H174 WeakPolarHBondContact CD-ND1 3.19Å; P97-H174 HydrophobicContact CG-CB 3.72Å; P97-H174 VanDerWaalsContact CG-CG 3.49Å; F170-H174 AromaticContact CD2-CD2 3.62Å; F170-H174 AromaticContact CD2-NE2 3.8Å; F170-H174 AromaticContact CE1-CD2 3.97Å; F170-H174 AromaticContact CE2-CD2 3.28Å; F170-H174 WeakPolarHBondContact CE2-CD2 3.13Å; F170-H174 AromaticContact CE2-NE2 3.22Å; F170-H174 WeakPolarHBondContact CE2-NE2 3.35Å; F170-H174 AromaticContact CZ-CD2 3.48Å; F170-H174 VanDerWaalsContact CZ-CD2 3.48Å; F170-H174 WeakPolarHBondContact CZ-CD2 3.49Å; F170-H174 AromaticContact CZ-NE2 3.71Å; F170-H174 PolarHBondContact O-CD2 3.37Å; F170-H174 VanDerWaalsContact O-CD2 3.28Å; F170-H174 PolarHBondContact O-N 3.06Å; W171-H174 HydrophobicContact CE3-CB 4.3Å; W171-H174 PolarHBondContact O-N 2.79Å
175R97.2Very high96.7Very high60 Ų6044.1 Ų44.123%0.22626%0.262CS..SBendtrans-13965177.9-62.2-64.1-177.4-73.9-4.3107.9P97 N99 Y102 W171P97-R175 PolarHBondContact O-NH2 3.24Å; N99-R175 PolarHBondContact OD1-NH2 3.06Å; Y102-R175 HydrophobicContact CD1-CB 4.5Å; Y102-R175 HydrophobicContact CD1-CG 3.8Å; Y102-R175 HydrophobicContact CD2-CG 4.07Å; Y102-R175 HydrophobicContact CE1-CB 4Å; Y102-R175 HydrophobicContact CE1-CG 3.8Å; Y102-R175 HydrophobicContact CE2-CB 4.09Å; Y102-R175 HydrophobicContact CE2-CG 4.08Å; Y102-R175 HydrophobicContact CG-CG 3.95Å; W171-R175 HydrophobicContact CE3-CB 4.5Å; W171-R175 HydrophobicContact CE3-CG 3.8Å; W171-R175 HydrophobicContact CZ3-CG 4.08Å; W171-R175 CarbonylContact O-C 3.49Å; W171-R175 WeakPolarHBondContact O-CA 3.26Å; W171-R175 PolarHBondContact O-N 3.27Å
176P97.1Very high96.4Very high33 Ų3347.9 Ų47.921%0.21429%0.285CS..PPolyproline II helixtrans-65.2158.1-170.328.5-36.1000112.3D172 C180 N182D172-P176 VanDerWaalsContact O-CA 3.27Å; D172-P176 WeakPolarHBondContact O-CA 3.44Å; D172-P176 WeakPolarHBondContact O-CB 3.42Å; P176-C180 HydrophobicContact CB-CB 4.18Å; P176-N182 HydrophobicContact CG-CB 4.1Å
177V97.1Very high96.1Very high30 Ų3050.7 Ų50.718%0.18230%0.3CS..PPolyproline II helixtrans-54.2134.9171.7-176.80000109.3H71 V72 Y122 G179 C180H71-V177 HydrophobicContact CB-CG2 3.58Å; V72-V177 HydrophobicContact CG2-CB 4.39Å; V72-V177 HydrophobicContact CG2-CG1 4.48Å; V72-V177 HydrophobicContact CG2-CG2 4.17Å; Y122-V177 HydrophobicContact CE1-CG2 4Å; V177-G179 PolarHBondContact O-N 3.3Å; V177-C180 VanDerWaalsContact O-CB 3.3Å; V177-C180 WeakPolarHBondContact O-CB 3.25Å; V177-C180 PolarHBondContact O-N 3.5Å
178P97.1Very high95.7Very high99 Ų9955.2 Ų55.264%0.64333%0.325SS*.THydrogen-bonded Turntrans-52.6130.2177.2-27.935.3000112.4Y122Y122-P178 HydrophobicContact CG-CG 4.4Å
179G95.4Very high95.1Very high88 Ų8861 Ų6191%0.90735%0.35SS*.THydrogen-bonded Turntrans96.2-15.3-175.300000114.4V177V177-G179 PolarHBondContact O-N 3.3Å
180C96.4Very high94.3Very high51 Ų5167.9 Ų67.935%0.34538%0.38SS..SBendtrans-79.8149.1169.9-65.30000111.6P176 V177 N182P176-C180 HydrophobicContact CB-CB 4.18Å; V177-C180 VanDerWaalsContact O-CB 3.3Å; V177-C180 WeakPolarHBondContact O-CB 3.25Å; V177-C180 PolarHBondContact O-N 3.5Å; C180-N182 PolarHBondContact O-N 3.31Å
181V96.4Very high93.4Very high125 Ų12568.7 Ų68.776%0.75839%0.388SS*.  trans-67.1129.9172.9177.90000109.5T183V181-T183 PolarHBondContact O-N 2.99Å
182N96.3Very high92.1Very high40 Ų4071.5 Ų71.521%0.21441%0.409CS..  trans-81.9100.5172.3-176.6-2000110.1P176 C180 T184 E185P176-N182 HydrophobicContact CG-CB 4.1Å; C180-N182 PolarHBondContact O-N 3.31Å; N182-T184 PolarHBondContact O-N 3.08Å; N182-T184 VanDerWaalsContact O-N 3.14Å; N182-T184 WeakPolarHBondContact OD1-CB 3.03Å; N182-T184 PolarHBondContact OD1-N 3.03Å; N182-T184 VanDerWaalsContact OD1-N 3.13Å; N182-T184 PolarHBondContact OD1-OG1 3.46Å; N182-E185 HydrophobicContact CB-CG 3.99Å; N182-E185 PolarHBondContact ND2-OE1 3.04Å; N182-E185 PolarHBondContact O-N 2.83Å
183T96.4Very high90.7Very high37 Ų3778.8 Ų78.823%0.22744%0.436CS..THydrogen-bonded Turntrans-68.5-9.4-177.554.90000113.9A61 V181A61-T183 HydrophobicContact CB-CG2 3.89Å; A61-T183 WeakPolarHBondContact O-CG2 3.48Å; A61-T183 PolarHBondContact O-OG1 3.46Å; V181-T183 PolarHBondContact O-N 2.99Å
184T93.9Very high89Confident56 Ų5685 Ų8534%0.34447%0.466SS..THydrogen-bonded Turntrans-86.3-9.7176.672.20000113.3V173 N182 V186V173-T184 HydrophobicContact CG1-CG2 3.85Å; N182-T184 PolarHBondContact O-N 3.08Å; N182-T184 VanDerWaalsContact O-N 3.14Å; N182-T184 WeakPolarHBondContact OD1-CB 3.03Å; N182-T184 PolarHBondContact OD1-N 3.03Å; N182-T184 VanDerWaalsContact OD1-N 3.13Å; N182-T184 PolarHBondContact OD1-OG1 3.46Å; T184-V186 PolarHBondContact O-N 3.47Å
185E92.5Very high87.2Confident149 Ų14993.1 Ų93.170%0.69650%0.496SS*.  trans-69.9125.2176.1-70.7179-167.600111.1N182N182-E185 HydrophobicContact CB-CG 3.99Å; N182-E185 PolarHBondContact ND2-OE1 3.04Å; N182-E185 PolarHBondContact O-N 2.83Å
186V89.3Confident84.8Confident94 Ų9494.3 Ų94.357%0.5751%0.507SS*.  trans-110.7140.8-179.3-680000111.4T184 I188T184-V186 PolarHBondContact O-N 3.47Å; V186-I188 PolarHBondContact O-N 3.4Å
187D90.2Very high82.7Confident84 Ų8496.7 Ų96.745%0.44952%0.522SS..  trans-54.1131.8172.6-176.2-56.8000110.4K189 K190 S191D187-K189 PolarHBondContact O-N 3.38Å; D187-K189 VanDerWaalsContact O-N 3.12Å; D187-K189 WeakPolarHBondContact OD1-CA 3.37Å; D187-K189 WeakPolarHBondContact OD1-CB 3.5Å; D187-K189 WeakPolarHBondContact OD1-CG 3.27Å; D187-K189 PolarHBondContact OD1-N 3.48Å; D187-K190 HydrophobicContact CB-CB 4.45Å; D187-K190 HydrophobicContact CB-CD 4.35Å; D187-K190 HydrophobicContact CB-CG 4.28Å; D187-K190 WeakPolarHBondContact O-CA 3.35Å; D187-K190 WeakPolarHBondContact O-CB 3.2Å; D187-K190 PolarHBondContact O-N 2.96Å; D187-S191 PolarHBondContact O-N 3.35Å
188I89.1Confident80.5Confident134 Ų134104.3 Ų104.369%0.68756%0.556SS**Hα-helixtrans-54.4-34.4-177.8-170.460000113.1V186 K190 S191 S192V186-I188 PolarHBondContact O-N 3.4Å; I188-K190 VanDerWaalsContact C-N 3.33Å; I188-K190 PolarHBondContact O-N 3.49Å; I188-S191 PolarHBondContact O-N 3.16Å; I188-S192 PolarHBondContact O-N 3.28Å; I188-S192 VanDerWaalsContact O-N 3.09Å
189K84.2Confident78.1Confident146 Ų146108 Ų10864%0.63556%0.562SS**Hα-helixtrans-67.9-34176.8-59.4171.3-174.3167.80111.4D187 R193D187-K189 PolarHBondContact O-N 3.38Å; D187-K189 VanDerWaalsContact O-N 3.12Å; D187-K189 WeakPolarHBondContact OD1-CA 3.37Å; D187-K189 WeakPolarHBondContact OD1-CB 3.5Å; D187-K189 WeakPolarHBondContact OD1-CG 3.27Å; D187-K189 PolarHBondContact OD1-N 3.48Å; K189-R193 WeakPolarHBondContact O-CG 3.29Å
190K82.6Confident75.7Confident144 Ų144107.4 Ų107.463%0.62654%0.541SS*.Hα-helixtrans-75.7-44.2176.1-69.2-177.6179.4177.50110.7D187 I188 S192 R193 M194D187-K190 HydrophobicContact CB-CB 4.45Å; D187-K190 HydrophobicContact CB-CD 4.35Å; D187-K190 HydrophobicContact CB-CG 4.28Å; D187-K190 WeakPolarHBondContact O-CA 3.35Å; D187-K190 WeakPolarHBondContact O-CB 3.2Å; D187-K190 PolarHBondContact O-N 2.96Å; I188-K190 VanDerWaalsContact C-N 3.33Å; I188-K190 PolarHBondContact O-N 3.49Å; K190-S192 VanDerWaalsContact C-N 3.35Å; K190-S192 PolarHBondContact O-N 2.98Å; K190-R193 PolarHBondContact O-N 3.08Å; K190-R193 VanDerWaalsContact O-N 3.08Å; K190-M194 PolarHBondContact O-N 3.45Å; K190-M194 VanDerWaalsContact O-N 3.13Å
191S78.6Confident73.3Confident30 Ų30116.4 Ų116.421%0.2157%0.567CS.*Hα-helixtrans-56.4-45.4177.6-176.60000112.5D187 I188 R193 M194 R195D187-S191 PolarHBondContact O-N 3.35Å; I188-S191 PolarHBondContact O-N 3.16Å; S191-R193 VanDerWaalsContact C-N 3.29Å; S191-R193 PolarHBondContact O-N 3.43Å; S191-M194 PolarHBondContact O-N 2.99Å; S191-R195 PolarHBondContact O-N 3.31Å
192S71.9Confident70.8Confident70 Ų70119.4 Ų119.449%0.4957%0.57SS.*Hα-helixtrans-63.6-31177.7179.40000113.9I188 K190 N196I188-S192 PolarHBondContact O-N 3.28Å; I188-S192 VanDerWaalsContact O-N 3.09Å; K190-S192 VanDerWaalsContact C-N 3.35Å; K190-S192 PolarHBondContact O-N 2.98Å; S192-N196 PolarHBondContact O-N 3.1Å
193R68Low68.1Low157 Ų157121.7 Ų121.759%0.59259%0.589SS**Hα-helixtrans-77.6-37.2-179.3-70.6173.8-172.6-169.72.4111.7K189 K190 S191 R195 N196K189-R193 WeakPolarHBondContact O-CG 3.29Å; K190-R193 PolarHBondContact O-N 3.08Å; K190-R193 VanDerWaalsContact O-N 3.08Å; S191-R193 VanDerWaalsContact C-N 3.29Å; S191-R193 PolarHBondContact O-N 3.43Å; R193-R195 VanDerWaalsContact C-N 3.28Å; R193-R195 PolarHBondContact O-N 3.43Å; R193-N196 CarbonylContact O-C 3.51Å; R193-N196 PolarHBondContact O-N 2.82Å
194M62.5Low65.8Low144 Ų144126 Ų12671%0.70962%0.615SS**Hα-helixtrans-64-35.6175.5-67.8179.579.700111.7K190 S191K190-M194 PolarHBondContact O-N 3.45Å; K190-M194 VanDerWaalsContact O-N 3.13Å; S191-M194 PolarHBondContact O-N 2.99Å
195R58.3Low63.3Low184 Ų184132.9 Ų132.969%0.69464%0.636SS**THydrogen-bonded Turntrans-78.6-16.1177.1-66.5-177.2178.6-158.2-2.5114.5S191 R193S191-R195 PolarHBondContact O-N 3.31Å; R193-R195 VanDerWaalsContact C-N 3.28Å; R193-R195 PolarHBondContact O-N 3.43Å
196N46.8Very low60.8Low85 Ų85128 Ų12846%0.45563%0.627SS.*  trans-140.468.9-178.1-79.8-50.4000112.1S192 R193 H198 K199S192-N196 PolarHBondContact O-N 3.1Å; R193-N196 CarbonylContact O-C 3.51Å; R193-N196 PolarHBondContact O-N 2.82Å; N196-H198 PolarHBondContact O-N 2.69Å; N196-H198 VanDerWaalsContact O-N 3.13Å; N196-K199 PolarHBondContact O-N 3.09Å; N196-K199 VanDerWaalsContact O-N 3.15Å
197P52.9Low58.1Low83 Ų83130.5 Ų130.554%0.53964%0.636SS.*G310 helixtrans-60.8-27-174.820.9-31000113.7K199 T200P197-K199 VanDerWaalsContact C-N 3.29Å; P197-K199 PolarHBondContact O-N 3.45Å; P197-T200 PolarHBondContact O-N 3.42Å; P197-T200 PolarHBondContact O-OG1 3.5Å
198H51.8Low55.8Low191 Ų191134.3 Ų134.388%0.88465%0.651SS**G310 helixtrans-71.7-13.8179.9-59.6-64.2000114.9N196N196-H198 PolarHBondContact O-N 2.69Å; N196-H198 VanDerWaalsContact O-N 3.13Å
199K46.2Very low53.1Low177 Ų177133.7 Ų133.777%0.7765%0.649SS**G310 helixtrans-95.40.5177.8-77.8-176.2177.4177.10113.7N196 P197 R201N196-K199 PolarHBondContact O-N 3.09Å; N196-K199 VanDerWaalsContact O-N 3.15Å; P197-K199 VanDerWaalsContact C-N 3.29Å; P197-K199 PolarHBondContact O-N 3.45Å; K199-R201 PolarHBondContact O-N 3.24Å
200T45.8Very low50.9Low75 Ų75132.9 Ų132.946%0.4665%0.652SS.*  trans-75.896.2179.2-200000109.1P197 K202P197-T200 PolarHBondContact O-N 3.42Å; P197-T200 PolarHBondContact O-OG1 3.5Å; T200-K202 PolarHBondContact O-N 2.98Å
201R44.8Very low48.6Very low239 Ų239133.1 Ų133.190%0.90266%0.658SS**  trans-45.3128.7172.6-93178.7161.6175.9-5.4110.4K199 S203K199-R201 PolarHBondContact O-N 3.24Å; R201-S203 PolarHBondContact O-N 3.19Å
202K45.6Very low46.6Very low189 Ų189141 Ų14182%0.82268%0.684SS**  trans-51.2125.5162.3-68.1179.5179178.60107.7T200 V204T200-K202 PolarHBondContact O-N 2.98Å; K202-V204 PolarHBondContact O-N 3.18Å
203S39.4Very low44.8Very low87 Ų87143.1 Ų143.161%0.60870%0.698SS**  trans-52.9134.9174173.50000109.7R201 Y205R201-S203 PolarHBondContact O-N 3.19Å; S203-Y205 PolarHBondContact O-N 3.47Å; S203-Y205 PolarHBondContact OG-N 2.95Å; S203-Y205 PolarHBondContact OG-O 3.35Å
204V48.4Very low43.4Very low129 Ų129142 Ų14278%0.78270%0.699SS**SBendtrans-70.3-16.9178.1178.10000111.7K202K202-V204 PolarHBondContact O-N 3.18Å
205Y41.2Very low42.1Very low199 Ų199138.8 Ų138.878%0.7869%0.691SS**SBendtrans-10486.3168.6-60.7-82.7000107.9S203 L207S203-Y205 PolarHBondContact O-N 3.47Å; S203-Y205 PolarHBondContact OG-N 2.95Å; S203-Y205 PolarHBondContact OG-O 3.35Å; Y205-L207 PolarHBondContact O-N 3.02Å
206G39Very low41.4Very low48 Ų48136 Ų13650%0.49570%0.697SS.*  trans-72.289.4177.700000111.4
207L33Very low41.1Very low146 Ų146137.5 Ų137.576%0.76471%0.709SS**  trans-101.5102.2139.9-101.8130.4000105.8Y205 N209Y205-L207 PolarHBondContact O-N 3.02Å; L207-N209 PolarHBondContact O-N 3.25Å
208Q41Very low40.6Very low163 Ų163143 Ų14376%0.76273%0.727SS**  trans-75.174.3170-164.4154.5-0.200107.2D210Q208-D210 PolarHBondContact O-N 2.96Å
209N33.3Very low40Very low122 Ų122138.8 Ų138.865%0.65272%0.715SS**  trans-75.585.4164.9-85.43.2000106.9L207 I211L207-N209 PolarHBondContact O-N 3.25Å; N209-I211 PolarHBondContact O-N 3.09Å
210D38Very low39.7Very low129 Ų129136.2 Ų136.269%0.6972%0.716SS**  trans-70.958.7164-76.5-35.3000110Q208Q208-D210 PolarHBondContact O-N 2.96Å
211I34.2Very low39.5Very low149 Ų149138.7 Ų138.776%0.76473%0.732SS**  trans-121.570.7162.9-50.3178.2000106.2N209 S213N209-I211 PolarHBondContact O-N 3.09Å; I211-S213 PolarHBondContact O-N 3.34Å
212R37.1Very low39.8Very low196 Ų196132.7 Ų132.774%0.7472%0.724SS**  trans-76.5109.4153.6-75.4-178-179.6-171.30.2105.8H214R212-H214 VanDerWaalsContact CB-NE2 3.29Å; R212-H214 WeakPolarHBondContact CB-NE2 3.5Å; R212-H214 PolarHBondContact O-CD2 3.12Å; R212-H214 PolarHBondContact O-N 2.87Å
213S33.9Very low40.1Very low114 Ų114131.7 Ų131.780%0.79772%0.722SS**  trans-64.688.6161.944.70000107.8I211I211-S213 PolarHBondContact O-N 3.34Å
214H37.8Very low41Very low132 Ų132134.4 Ų134.461%0.61174%0.735SS**  trans-75121.6174.5-74.6-80.6000109.2R212R212-H214 VanDerWaalsContact CB-NE2 3.29Å; R212-H214 WeakPolarHBondContact CB-NE2 3.5Å; R212-H214 PolarHBondContact O-CD2 3.12Å; R212-H214 PolarHBondContact O-N 2.87Å
215S35.3Very low42.3Very low77 Ų77136.3 Ų136.354%0.53873%0.733SS.*  trans-69.8147159-75.90000109.3T217S215-T217 PolarHBondContact O-N 2.75Å; S215-T217 VanDerWaalsContact O-N 3.12Å
216P43.3Very low44.2Very low125 Ų125132.3 Ų132.381%0.81273%0.731SS**SBendtrans-89.683.4-162.535.5-32.8000111.1
217T41Very low46.4Very low118 Ų118133 Ų13372%0.72473%0.727SS**SBendtrans-143.5100.6163.7-30.40000110.7S215 T219S215-T217 PolarHBondContact O-N 2.75Å; S215-T217 VanDerWaalsContact O-N 3.12Å; T217-T219 PolarHBondContact O-N 3.38Å; T217-T219 VanDerWaalsContact O-N 3.16Å
218H42.6Very low49.3Very low198 Ų198129.9 Ų129.992%0.91771%0.714SS**  trans23.375.1159.9-85.3-76.8000117.4
219T38.5Very low51.8Low103 Ų103128.9 Ų128.963%0.63271%0.709SS**  trans-104.6127.5144.550.60000107.1T217 T221T217-T219 PolarHBondContact O-N 3.38Å; T217-T219 VanDerWaalsContact O-N 3.16Å; T219-T221 PolarHBondContact O-N 3.13Å; T219-T221 VanDerWaalsContact O-N 3.15Å
220P40.5Very low54.7Low122 Ų122128.4 Ų128.479%0.79271%0.707SS**  trans-54.3127.417123.4-31.2000107.6P222P220-P222 VanDerWaalsContact O-N 3.15Å
221T41.6Very low57.3Low127 Ų127126.2 Ų126.278%0.77969%0.693SS**  trans-43.7122.2170.51.40000107.2T219 E223T219-T221 PolarHBondContact O-N 3.13Å; T219-T221 VanDerWaalsContact O-N 3.15Å; T221-E223 PolarHBondContact O-N 3.25Å
222P50.9Low60.2Low114 Ų114122.9 Ų122.974%0.7468%0.676SS**  trans-58.1117.8177.522.2-30.5000106.8P220 T224P220-P222 VanDerWaalsContact O-N 3.15Å; P222-T224 PolarHBondContact O-N 3.14Å
223E51.8Low62.9Low168 Ų168117.6 Ų117.679%0.78566%0.659SS**  trans-51.1112.8173.9-71.7-179.5162.600107.4T221 K225T221-E223 PolarHBondContact O-N 3.25Å; E223-K225 PolarHBondContact O-N 3.29Å
224T58.1Low65.8Low143 Ų143118.9 Ų118.988%0.87765%0.653SS**  trans-66.687.4172.325.50000107.1P222P222-T224 PolarHBondContact O-N 3.14Å
225K76.3Confident68.4Low170 Ų170117 Ų11774%0.73964%0.644SS**PPolyproline II helixtrans-58.1131.9172-68.4-178.8-178.4-178.10107.7E223E223-K225 PolarHBondContact O-N 3.29Å
226P81.9Confident71.3Confident114 Ų114118.7 Ų118.774%0.7465%0.646SS**PPolyproline II helixtrans-58.1137.7174.225.1-32.8000108.5
227P85.1Confident73.9Confident64 Ų64119.4 Ų119.442%0.41664%0.636SS.*PPolyproline II helixtrans-62.4144.118027.3-34.3000109.9E231 L232P227-E231 WeakPolarHBondContact CA-OE2 3.48Å; P227-E231 HydrophobicContact CB-CB 4.27Å; P227-L232 HydrophobicContact CB-CD2 4.18Å; P227-L232 HydrophobicContact CB-CG 4.19Å; P227-L232 HydrophobicContact CG-CD1 4.44Å; P227-L232 HydrophobicContact CG-CD2 3.72Å; P227-L232 HydrophobicContact CG-CG 4.04Å
228T92.4Very high76.5Confident79 Ų79118 Ų11849%0.48562%0.618SS.*PPolyproline II helixtrans-69.4160.2171.757.30000110.8D230 E231 L232T228-D230 VanDerWaalsContact C-N 3.28Å; T228-D230 PolarHBondContact O-N 3.44Å; T228-E231 PolarHBondContact N-OE2 3.38Å; T228-E231 PolarHBondContact O-N 2.97Å; T228-E231 VanDerWaalsContact O-N 3.16Å; T228-E231 VanDerWaalsContact OG1-CD 3.32Å; T228-E231 VanDerWaalsContact OG1-CG 3.22Å; T228-E231 WeakPolarHBondContact OG1-CG 3.43Å; T228-E231 PolarHBondContact OG1-N 3.03Å; T228-E231 PolarHBondContact OG1-OE2 2.96Å; T228-L232 PolarHBondContact O-N 2.91Å
229E93.4Very high79Confident143 Ų143115.4 Ų115.467%0.66860%0.601SS**Hα-helixtrans-58-40.5177.2-171177169.600112.1E231 L232 Q233E229-E231 VanDerWaalsContact C-N 3.35Å; E229-E231 PolarHBondContact O-N 2.95Å; E229-L232 WeakPolarHBondContact O-CB 3.41Å; E229-L232 PolarHBondContact O-N 2.94Å; E229-Q233 WeakPolarHBondContact O-CG 3.32Å; E229-Q233 PolarHBondContact O-N 3.47Å
230D94.7Very high81.8Confident111 Ų111115 Ų11559%0.59459%0.592SS**Hα-helixtrans-61.8-40.7176.3-72.7-20.8000112.4T228 L232 Q233 Q234T228-D230 VanDerWaalsContact C-N 3.28Å; T228-D230 PolarHBondContact O-N 3.44Å; D230-L232 VanDerWaalsContact C-N 3.34Å; D230-Q233 PolarHBondContact O-N 2.59Å; D230-Q234 WeakPolarHBondContact O-CG 3.38Å; D230-Q234 PolarHBondContact O-N 3.39Å
231E92.9Very high84.5Confident84 Ų84114 Ų11439%0.39358%0.579SS.*Hα-helixtrans-65.6-38.7175.8-74.1170.414300111.5P227 T228 E229 Q234 Q235P227-E231 WeakPolarHBondContact CA-OE2 3.48Å; P227-E231 HydrophobicContact CB-CB 4.27Å; T228-E231 PolarHBondContact N-OE2 3.38Å; T228-E231 PolarHBondContact O-N 2.97Å; T228-E231 VanDerWaalsContact O-N 3.16Å; T228-E231 VanDerWaalsContact OG1-CD 3.32Å; T228-E231 VanDerWaalsContact OG1-CG 3.22Å; T228-E231 WeakPolarHBondContact OG1-CG 3.43Å; T228-E231 PolarHBondContact OG1-N 3.03Å; T228-E231 PolarHBondContact OG1-OE2 2.96Å; E229-E231 VanDerWaalsContact C-N 3.35Å; E229-E231 PolarHBondContact O-N 2.95Å; E231-Q234 PolarHBondContact O-N 3.28Å; E231-Q235 WeakPolarHBondContact O-CB 3.36Å; E231-Q235 VanDerWaalsContact O-CG 3.28Å; E231-Q235 WeakPolarHBondContact O-CG 3.33Å; E231-Q235 PolarHBondContact O-N 2.86Å
232L94.3Very high87Confident78 Ų78109.6 Ų109.641%0.40855%0.549SS..Hα-helixtrans-64.9-43.3174.7-69.7173.6000111.2P227 T228 E229 D230 Q234 Q235 I236P227-L232 HydrophobicContact CB-CD2 4.18Å; P227-L232 HydrophobicContact CB-CG 4.19Å; P227-L232 HydrophobicContact CG-CD1 4.44Å; P227-L232 HydrophobicContact CG-CD2 3.72Å; P227-L232 HydrophobicContact CG-CG 4.04Å; T228-L232 PolarHBondContact O-N 2.91Å; E229-L232 WeakPolarHBondContact O-CB 3.41Å; E229-L232 PolarHBondContact O-N 2.94Å; D230-L232 VanDerWaalsContact C-N 3.34Å; L232-Q234 VanDerWaalsContact C-N 3.33Å; L232-Q234 PolarHBondContact O-N 3.26Å; L232-Q235 PolarHBondContact O-N 3.22Å; L232-I236 VanDerWaalsContact O-CG1 3.31Å; L232-I236 WeakPolarHBondContact O-CG1 3.5Å; L232-I236 PolarHBondContact O-N 2.96Å
233Q95.2Very high89.2Confident86 Ų86110.1 Ų110.140%0.40255%0.545SS..Hα-helixtrans-61.4-40.9175.8-70.9-175.61400112.2E229 D230 I236 K237E229-Q233 WeakPolarHBondContact O-CG 3.32Å; E229-Q233 PolarHBondContact O-N 3.47Å; D230-Q233 PolarHBondContact O-N 2.59Å; Q233-I236 PolarHBondContact O-N 2.99Å; Q233-K237 WeakPolarHBondContact O-CG 3.32Å; Q233-K237 PolarHBondContact O-N 3.15Å
234Q93.9Very high91.3Very high140 Ų140106.9 Ų106.965%0.65453%0.533SS*.Hα-helixtrans-65.2-41174.9-72.9-177.48.200112.1D230 E231 L232 K237 Y238D230-Q234 WeakPolarHBondContact O-CG 3.38Å; D230-Q234 PolarHBondContact O-N 3.39Å; E231-Q234 PolarHBondContact O-N 3.28Å; L232-Q234 VanDerWaalsContact C-N 3.33Å; L232-Q234 PolarHBondContact O-N 3.26Å; Q234-K237 PolarHBondContact O-N 3.3Å; Q234-Y238 WeakPolarHBondContact O-CB 3.36Å; Q234-Y238 PolarHBondContact O-N 2.97Å
235Q93.4Very high93.1Very high92 Ų92107 Ų10743%0.4352%0.518SS..Hα-helixtrans-61.9-44.6175.4-75.5177.456.200111.5E231 L232 K237 Y238 W239E231-Q235 WeakPolarHBondContact O-CB 3.36Å; E231-Q235 VanDerWaalsContact O-CG 3.28Å; E231-Q235 WeakPolarHBondContact O-CG 3.33Å; E231-Q235 PolarHBondContact O-N 2.86Å; L232-Q235 PolarHBondContact O-N 3.22Å; Q235-K237 PolarHBondContact O-N 3.42Å; Q235-Y238 PolarHBondContact O-N 3.14Å; Q235-W239 PolarHBondContact O-N 2.97Å
236I96Very high94.1Very high114 Ų114108.1 Ų108.159%0.58553%0.525SS*.Hα-helixtrans-58.9-49.6176.5-68.6164.9000110.4L232 Q233 Y238 W239 Q240L232-I236 VanDerWaalsContact O-CG1 3.31Å; L232-I236 WeakPolarHBondContact O-CG1 3.5Å; L232-I236 PolarHBondContact O-N 2.96Å; Q233-I236 PolarHBondContact O-N 2.99Å; I236-Y238 VanDerWaalsContact C-N 3.32Å; I236-Y238 PolarHBondContact O-N 2.87Å; I236-W239 PolarHBondContact O-N 2.84Å; I236-Q240 WeakPolarHBondContact O-CB 3.44Å; I236-Q240 PolarHBondContact O-N 3.48Å
237K96.9Very high94.7Very high139 Ų139110.7 Ų110.760%0.60452%0.52SS*.Hα-helixtrans-59.1-43.5177.4-73.3177.5-176.5174.60111.9Q233 Q234 Q235 Q240 I241Q233-K237 WeakPolarHBondContact O-CG 3.32Å; Q233-K237 PolarHBondContact O-N 3.15Å; Q234-K237 PolarHBondContact O-N 3.3Å; Q235-K237 PolarHBondContact O-N 3.42Å; K237-Q240 PolarHBondContact O-N 3.33Å; K237-I241 WeakPolarHBondContact O-CG1 3.35Å; K237-I241 PolarHBondContact O-N 3.04Å; K237-I241 VanDerWaalsContact O-N 3.14Å
238Y95.1Very high95.2Very high88 Ų88113 Ų11335%0.34553%0.528SS..Hα-helixtrans-60.2-50.7177171.3-97.4000111.4Q234 Q235 I236 Q240 I241 Q242Q234-Y238 WeakPolarHBondContact O-CB 3.36Å; Q234-Y238 PolarHBondContact O-N 2.97Å; Q235-Y238 PolarHBondContact O-N 3.14Å; I236-Y238 VanDerWaalsContact C-N 3.32Å; I236-Y238 PolarHBondContact O-N 2.87Å; Y238-Q240 VanDerWaalsContact C-N 3.34Å; Y238-Q240 PolarHBondContact O-N 2.87Å; Y238-I241 PolarHBondContact O-N 3.05Å; Y238-Q242 HydrophobicContact CD1-CG 4.36Å; Y238-Q242 HydrophobicContact CE1-CG 3.93Å; Y238-Q242 HydrophobicContact CE2-CG 4.27Å; Y238-Q242 WeakPolarHBondContact O-CG 3.31Å; Y238-Q242 PolarHBondContact O-N 3.44Å; Y238-Q242 VanDerWaalsContact O-N 3.08Å
239W95.8Very high95.5Very high144 Ų144116.9 Ų116.955%0.54554%0.538SS..Hα-helixtrans-64.7-37.7-179-70.5124.9000112.5Q235 I236 I241 Q242 L243Q235-W239 PolarHBondContact O-N 2.97Å; I236-W239 PolarHBondContact O-N 2.84Å; W239-I241 PolarHBondContact O-N 3.27Å; W239-Q242 HydrophobicContact CE3-CB 4.39Å; W239-Q242 HydrophobicContact CE3-CG 4.35Å; W239-Q242 WeakPolarHBondContact O-CB 3.31Å; W239-Q242 PolarHBondContact O-N 3.09Å; W239-Q242 VanDerWaalsContact O-N 3.11Å; W239-L243 WeakPolarHBondContact O-CG 3.32Å; W239-L243 PolarHBondContact O-N 2.82Å
240Q97.4Very high95.7Very high96 Ų96117 Ų11745%0.44954%0.541SS..Hα-helixtrans-58.4-48.5174.4-171.860.251.100111.2I236 K237 Y238 Q242 L243 D244I236-Q240 WeakPolarHBondContact O-CB 3.44Å; I236-Q240 PolarHBondContact O-N 3.48Å; K237-Q240 PolarHBondContact O-N 3.33Å; Y238-Q240 VanDerWaalsContact C-N 3.34Å; Y238-Q240 PolarHBondContact O-N 2.87Å; Q240-Q242 PolarHBondContact O-N 3.28Å; Q240-L243 PolarHBondContact O-N 3.47Å; Q240-D244 PolarHBondContact NE2-OD1 2.95Å; Q240-D244 VanDerWaalsContact O-CG 3.26Å; Q240-D244 PolarHBondContact O-N 3.15Å
241I96.3Very high95.8Very high100 Ų100114.9 Ų114.951%0.51354%0.535SS..Hα-helixtrans-59.9-35.5176.4-67.6166.9000111.5K237 Y238 W239K237-I241 WeakPolarHBondContact O-CG1 3.35Å; K237-I241 PolarHBondContact O-N 3.04Å; K237-I241 VanDerWaalsContact O-N 3.14Å; Y238-I241 PolarHBondContact O-N 3.05Å; W239-I241 PolarHBondContact O-N 3.27Å
242Q95.9Very high96.1Very high34 Ų34117.2 Ų117.216%0.15954%0.543CS..Hα-helixtrans-70.9-32176.6-63.9-56.7-27.900112.9Y238 W239 Q240 R247Y238-Q242 HydrophobicContact CD1-CG 4.36Å; Y238-Q242 HydrophobicContact CE1-CG 3.93Å; Y238-Q242 HydrophobicContact CE2-CG 4.27Å; Y238-Q242 WeakPolarHBondContact O-CG 3.31Å; Y238-Q242 PolarHBondContact O-N 3.44Å; Y238-Q242 VanDerWaalsContact O-N 3.08Å; W239-Q242 HydrophobicContact CE3-CB 4.39Å; W239-Q242 HydrophobicContact CE3-CG 4.35Å; W239-Q242 WeakPolarHBondContact O-CB 3.31Å; W239-Q242 PolarHBondContact O-N 3.09Å; W239-Q242 VanDerWaalsContact O-N 3.11Å; Q240-Q242 PolarHBondContact O-N 3.28Å; Q242-R247 VanDerWaalsContact O-CZ 3.3Å; Q242-R247 PolarHBondContact O-NH1 3.35Å; Q242-R247 PolarHBondContact O-NH2 3.48Å
243L95.8Very high96.3Very high126 Ų126115.8 Ų115.866%0.6654%0.538SS*.Hα-helixtrans-71.9-37.2176.3-71.2172.3000111.5W239 Q240 R245W239-L243 WeakPolarHBondContact O-CG 3.32Å; W239-L243 PolarHBondContact O-N 2.82Å; Q240-L243 PolarHBondContact O-N 3.47Å; L243-R245 PolarHBondContact O-N 3.35Å
244D96.9Very high96.4Very high100 Ų100113.6 Ų113.654%0.53553%0.534SS..SBendtrans-70.1-13.2179.9-60.6-20.6000113.2Q240 H246Q240-D244 PolarHBondContact NE2-OD1 2.95Å; Q240-D244 VanDerWaalsContact O-CG 3.26Å; Q240-D244 PolarHBondContact O-N 3.15Å; D244-H246 PolarHBondContact O-N 3.32Å
245R96Very high96.6Very high146 Ų146111.6 Ų111.655%0.55153%0.528SS*.SBendtrans-70.4117.9175-73.5-179.5-177.4-144.50.1111.2L243 R247L243-R245 PolarHBondContact O-N 3.35Å; R245-R247 PolarHBondContact O-N 3.19Å; R245-R247 PolarHBondContact O-NH1 3.41Å
246H96Very high96.8Very high192 Ų192111 Ų11189%0.88953%0.534SS*.  trans-62.7126171.7-63.977000110.2D244D244-H246 PolarHBondContact O-N 3.32Å
247R94.8Very high96.9Very high168 Ų168110.7 Ų110.763%0.63453%0.533SS*.  trans-113.6152179.8-69.7176.817876-3.1110.7Q242 R245Q242-R247 VanDerWaalsContact O-CZ 3.3Å; Q242-R247 PolarHBondContact O-NH1 3.35Å; Q242-R247 PolarHBondContact O-NH2 3.48Å; R245-R247 PolarHBondContact O-N 3.19Å; R245-R247 PolarHBondContact O-NH1 3.41Å
248L96Very high97Very high112 Ų112109.9 Ų109.959%0.58654%0.535SS*.  trans-102.1151.7173.4-71.7140.2000109.7V253 F452L248-V253 HydrophobicContact CB-CG2 3.78Å; L248-F452 HydrophobicContact CD2-CE1 4.43Å
249K98.2Very high97.1Very high161 Ų161107.4 Ų107.470%0.754%0.536SS*.  trans-65143.4171.9-65.9-173.4176.6-176.30109.8S251 K252 V253K249-S251 PolarHBondContact O-N 3.17Å; K249-K252 HydrophobicContact CB-CG 4.46Å; K249-K252 PolarHBondContact O-N 3.47Å; K249-V253 PolarHBondContact O-N 3.18Å; K249-V253 VanDerWaalsContact O-N 3.08Å
250M97.9Very high97.2Very high146 Ų146106.4 Ų106.472%0.71953%0.533SS*.Hα-helixtrans-57-36.1178.9-78.7-52.7-55.800113.5K252 V253 A254M250-K252 PolarHBondContact O-N 3.4Å; M250-V253 PolarHBondContact O-N 2.94Å; M250-A254 WeakPolarHBondContact O-CB 3.29Å; M250-A254 PolarHBondContact O-N 3.09Å
251S97.8Very high97.2Very high67 Ų67105.8 Ų105.847%0.46954%0.536SS..Hα-helixtrans-59.1-46174.251.60000112K249 V253 A254 D255K249-S251 PolarHBondContact O-N 3.17Å; S251-V253 VanDerWaalsContact C-N 3.34Å; S251-V253 PolarHBondContact O-N 3.25Å; S251-A254 PolarHBondContact O-N 3.07Å; S251-D255 WeakPolarHBondContact O-CB 3.38Å; S251-D255 PolarHBondContact O-N 3.24Å
252K98Very high97.3Very high132 Ų132108.1 Ų108.157%0.57455%0.545SS*.Hα-helixtrans-64.9-37.1177.5-67.3-58.4-173.3-1740112.9K249 M250 S256K249-K252 HydrophobicContact CB-CG 4.46Å; K249-K252 PolarHBondContact O-N 3.47Å; M250-K252 PolarHBondContact O-N 3.4Å; K252-S256 VanDerWaalsContact O-CB 3.31Å; K252-S256 WeakPolarHBondContact O-CB 3.34Å; K252-S256 PolarHBondContact O-N 3.14Å; K252-S256 VanDerWaalsContact O-N 3.15Å
253V98.4Very high97.3Very high48 Ų48110.1 Ų110.129%0.29155%0.554SS.*Hα-helixtrans-66.4-48.5175.4177.20000110.4L248 K249 M250 S251 S256 L257L248-V253 HydrophobicContact CB-CG2 3.78Å; K249-V253 PolarHBondContact O-N 3.18Å; K249-V253 VanDerWaalsContact O-N 3.08Å; M250-V253 PolarHBondContact O-N 2.94Å; S251-V253 VanDerWaalsContact C-N 3.34Å; S251-V253 PolarHBondContact O-N 3.25Å; V253-S256 PolarHBondContact O-N 3.47Å; V253-L257 HydrophobicContact CG1-CD1 3.91Å; V253-L257 HydrophobicContact CG1-CG 4.41Å; V253-L257 WeakPolarHBondContact O-CG 3.28Å; V253-L257 PolarHBondContact O-N 3.13Å
254A98.2Very high97.4Very high40 Ų40105.7 Ų105.733%0.33153%0.529SS..Hα-helixtrans-61.5-49.5179.400000111.9M250 S251 S256 L257 L258M250-A254 WeakPolarHBondContact O-CB 3.29Å; M250-A254 PolarHBondContact O-N 3.09Å; S251-A254 PolarHBondContact O-N 3.07Å; A254-S256 VanDerWaalsContact C-N 3.26Å; A254-S256 PolarHBondContact O-N 3.38Å; A254-L257 PolarHBondContact O-N 2.97Å; A254-L258 WeakPolarHBondContact O-CB 3.35Å; A254-L258 WeakPolarHBondContact O-CG 3.31Å; A254-L258 PolarHBondContact O-N 3.41Å
255D97.9Very high97.4Very high98 Ų98104.5 Ų104.552%0.52452%0.522SS..Hα-helixtrans-55.9-42.8177.5-66.4-17.2000111.1S251 G259S251-D255 WeakPolarHBondContact O-CB 3.38Å; S251-D255 PolarHBondContact O-N 3.24Å; D255-G259 PolarHBondContact O-N 2.97Å
256S97.8Very high97.3Very high80 Ų80102.4 Ų102.456%0.55952%0.519SS*.Hα-helixtrans-68.2-41.2179.3-173.90000112.8K252 V253 A254 Y260K252-S256 VanDerWaalsContact O-CB 3.31Å; K252-S256 WeakPolarHBondContact O-CB 3.34Å; K252-S256 PolarHBondContact O-N 3.14Å; K252-S256 VanDerWaalsContact O-N 3.15Å; V253-S256 PolarHBondContact O-N 3.47Å; A254-S256 VanDerWaalsContact C-N 3.26Å; A254-S256 PolarHBondContact O-N 3.38Å; S256-Y260 VanDerWaalsContact O-CB 3.32Å; S256-Y260 WeakPolarHBondContact O-CB 3.32Å; S256-Y260 PolarHBondContact O-N 2.85Å
257L98.2Very high97.3Very high108 Ų10895.4 Ų95.457%0.56549%0.485SS*.Hα-helixtrans-70.4-40.8180-71174.6000111.5V253 A254 T261V253-L257 HydrophobicContact CG1-CD1 3.91Å; V253-L257 HydrophobicContact CG1-CG 4.41Å; V253-L257 WeakPolarHBondContact O-CG 3.28Å; V253-L257 PolarHBondContact O-N 3.13Å; A254-L257 PolarHBondContact O-N 2.97Å; L257-T261 WeakPolarHBondContact O-CB 3.38Å; L257-T261 PolarHBondContact O-N 3.29Å; L257-T261 PolarHBondContact O-OG1 3.08Å
258L97.9Very high97.4Very high122 Ų12290.2 Ų90.264%0.63947%0.469SS*.Hα-helixtrans-63.5-49.3175.1-72.3170.2000110.7A254 Y260 T261 E262A254-L258 WeakPolarHBondContact O-CB 3.35Å; A254-L258 WeakPolarHBondContact O-CG 3.31Å; A254-L258 PolarHBondContact O-N 3.41Å; L258-Y260 VanDerWaalsContact C-N 3.34Å; L258-Y260 PolarHBondContact O-N 3.33Å; L258-T261 PolarHBondContact O-N 3.28Å; L258-E262 WeakPolarHBondContact O-CB 3.48Å; L258-E262 PolarHBondContact O-N 3.43Å
259G97.9Very high97.5Very high36 Ų3687.6 Ų87.637%0.37146%0.459SS..Hα-helixtrans-61.8-39.8178.500000113.1D255 Q263D255-G259 PolarHBondContact O-N 2.97Å; G259-Q263 WeakPolarHBondContact O-CB 3.45Å; G259-Q263 PolarHBondContact O-N 3.19Å; G259-Q263 VanDerWaalsContact O-N 3.09Å
260Y97.8Very high97.4Very high122 Ų12289.1 Ų89.148%0.47847%0.466SS..Hα-helixtrans-63.6-46.6173.2-176.3-92.2000111.2S256 L258 E262 Q263 Y264S256-Y260 VanDerWaalsContact O-CB 3.32Å; S256-Y260 WeakPolarHBondContact O-CB 3.32Å; S256-Y260 PolarHBondContact O-N 2.85Å; L258-Y260 VanDerWaalsContact C-N 3.34Å; L258-Y260 PolarHBondContact O-N 3.33Å; Y260-E262 PolarHBondContact O-N 3.32Å; Y260-Q263 WeakPolarHBondContact O-CB 3.5Å; Y260-Q263 PolarHBondContact O-N 3.15Å; Y260-Y264 HydrophobicContact CD1-CD2 4.31Å; Y260-Y264 HydrophobicContact CD2-CD2 4.29Å; Y260-Y264 AromaticContact CD2-CE2 3.86Å; Y260-Y264 HydrophobicContact CD2-CE2 3.86Å; Y260-Y264 HydrophobicContact CE1-CD2 4.01Å; Y260-Y264 HydrophobicContact CE1-CE2 4.15Å; Y260-Y264 AromaticContact CE2-CD2 3.99Å; Y260-Y264 HydrophobicContact CE2-CD2 3.99Å; Y260-Y264 AromaticContact CE2-CE2 3.33Å; Y260-Y264 HydrophobicContact CE2-CE2 3.33Å; Y260-Y264 HydrophobicContact CG-CD2 4.45Å; Y260-Y264 HydrophobicContact CG-CE2 4.46Å; Y260-Y264 AromaticContact CZ-CD2 3.83Å; Y260-Y264 AromaticContact CZ-CE2 3.49Å; Y260-Y264 VanDerWaalsContact CZ-CE2 3.49Å; Y260-Y264 WeakPolarHBondContact O-CD2 3.34Å; Y260-Y264 PolarHBondContact O-N 3.22Å
261T97.9Very high97.4Very high83 Ų8387 Ų8751%0.50946%0.458SS..Hα-helixtrans-62.4-45.4-179.6-54.10000111.6L257 L258 Q263 Y264 L265L257-T261 WeakPolarHBondContact O-CB 3.38Å; L257-T261 PolarHBondContact O-N 3.29Å; L257-T261 PolarHBondContact O-OG1 3.08Å; L258-T261 PolarHBondContact O-N 3.28Å; T261-Q263 VanDerWaalsContact C-N 3.28Å; T261-Q263 PolarHBondContact O-N 3.46Å; T261-Y264 PolarHBondContact O-N 3Å; T261-L265 PolarHBondContact O-N 3.16Å
262E97.1Very high97.3Very high150 Ų15087.4 Ų87.470%0.70145%0.454SS*.Hα-helixtrans-60-38.5177.3-173.8175.8-163.800111.9L258 Y260 Y264 L265L258-E262 WeakPolarHBondContact O-CB 3.48Å; L258-E262 PolarHBondContact O-N 3.43Å; Y260-E262 PolarHBondContact O-N 3.32Å; E262-Y264 VanDerWaalsContact C-N 3.29Å; E262-Y264 PolarHBondContact O-N 3.15Å; E262-L265 WeakPolarHBondContact O-CB 3.45Å; E262-L265 PolarHBondContact O-N 3.02Å
263Q96.6Very high97.1Very high76 Ų7686.5 Ų86.536%0.35546%0.462SS..Hα-helixtrans-62.4-33.3178.4-176.5174.238.100113.3G259 Y260 T261 F306G259-Q263 WeakPolarHBondContact O-CB 3.45Å; G259-Q263 PolarHBondContact O-N 3.19Å; G259-Q263 VanDerWaalsContact O-N 3.09Å; Y260-Q263 WeakPolarHBondContact O-CB 3.5Å; Y260-Q263 PolarHBondContact O-N 3.15Å; T261-Q263 VanDerWaalsContact C-N 3.28Å; T261-Q263 PolarHBondContact O-N 3.46Å; Q263-F306 HydrophobicContact CG-CD1 3.86Å; Q263-F306 HydrophobicContact CG-CD2 3.75Å; Q263-F306 HydrophobicContact CG-CE1 3.8Å; Q263-F306 HydrophobicContact CG-CE2 3.68Å; Q263-F306 HydrophobicContact CG-CG 3.82Å; Q263-F306 HydrophobicContact CG-CZ 3.68Å; Q263-F306 WeakPolarHBondContact O-CE2 3.23Å; Q263-F306 WeakPolarHBondContact O-CZ 3.39Å
264Y97.3Very high96.9Very high33 Ų3385.1 Ų85.113%0.12945%0.453CS..Hα-helixtrans-100.10.5-179.4-71.8-94.3000113.9Y260 T261 E262 E266 Y267 D268 R303 F306 E310Y260-Y264 HydrophobicContact CD1-CD2 4.31Å; Y260-Y264 HydrophobicContact CD2-CD2 4.29Å; Y260-Y264 AromaticContact CD2-CE2 3.86Å; Y260-Y264 HydrophobicContact CD2-CE2 3.86Å; Y260-Y264 HydrophobicContact CE1-CD2 4.01Å; Y260-Y264 HydrophobicContact CE1-CE2 4.15Å; Y260-Y264 AromaticContact CE2-CD2 3.99Å; Y260-Y264 HydrophobicContact CE2-CD2 3.99Å; Y260-Y264 AromaticContact CE2-CE2 3.33Å; Y260-Y264 HydrophobicContact CE2-CE2 3.33Å; Y260-Y264 HydrophobicContact CG-CD2 4.45Å; Y260-Y264 HydrophobicContact CG-CE2 4.46Å; Y260-Y264 AromaticContact CZ-CD2 3.83Å; Y260-Y264 AromaticContact CZ-CE2 3.49Å; Y260-Y264 VanDerWaalsContact CZ-CE2 3.49Å; Y260-Y264 WeakPolarHBondContact O-CD2 3.34Å; Y260-Y264 PolarHBondContact O-N 3.22Å; T261-Y264 PolarHBondContact O-N 3Å; E262-Y264 VanDerWaalsContact C-N 3.29Å; E262-Y264 PolarHBondContact O-N 3.15Å; Y264-E266 VanDerWaalsContact C-N 3.28Å; Y264-E266 PolarHBondContact O-N 2.88Å; Y264-Y267 WeakPolarHBondContact O-CA 3.38Å; Y264-Y267 WeakPolarHBondContact O-CB 3.49Å; Y264-Y267 PolarHBondContact O-N 3.15Å; Y264-D268 PolarHBondContact O-N 3.04Å; Y264-R303 HydrophobicContact CE1-CG 4.31Å; Y264-F306 HydrophobicContact CD1-CD2 4.38Å; Y264-F306 HydrophobicContact CD1-CE2 4.34Å; Y264-F306 AromaticContact CE1-CD2 3.82Å; Y264-F306 HydrophobicContact CE1-CD2 3.82Å; Y264-F306 HydrophobicContact CE1-CE2 4.21Å; Y264-F306 HydrophobicContact CE2-CD2 4Å; Y264-F306 AromaticContact CZ-CD2 3.61Å; Y264-E310 WeakPolarHBondContact OH-CG 3.39Å; Y264-E310 PolarHBondContact OH-OE1 3.33Å
265L96.8Very high96.6Very high75 Ų7588 Ų8839%0.39346%0.463SS..G310 helixtrans-53.6-43.9-178.5-168.582.9000112.3T261 E262 Y267 D268 L271T261-L265 PolarHBondContact O-N 3.16Å; E262-L265 WeakPolarHBondContact O-CB 3.45Å; E262-L265 PolarHBondContact O-N 3.02Å; L265-Y267 PolarHBondContact O-N 3.03Å; L265-Y267 VanDerWaalsContact O-N 3.15Å; L265-D268 PolarHBondContact O-N 2.74Å; L265-L271 HydrophobicContact CD1-CD1 3.48Å; L265-L271 VanDerWaalsContact CD1-CD1 3.48Å
266E95.3Very high96.4Very high102 Ų10286.3 Ų86.348%0.47746%0.457SS..G310 helixtrans-65.1-11.6177.2-68.1-175.7168.800114.3Y264 L272 K302Y264-E266 VanDerWaalsContact C-N 3.28Å; Y264-E266 PolarHBondContact O-N 2.88Å; E266-L272 HydrophobicContact CB-CD1 4.46Å; E266-L272 HydrophobicContact CG-CD1 4.29Å; E266-K302 IonicContact OE2-NZ 3.7Å; E266-K302 PolarHBondContact OE2-NZ 3.34Å
267Y95.8Very high96.3Very high44 Ų4483.9 Ų83.917%0.17344%0.441CS..G310 helixtrans-112.40.8-176.8-58.3-95.9000112.7Y264 L265 P269 Q299 R303 F306Y264-Y267 WeakPolarHBondContact O-CA 3.38Å; Y264-Y267 WeakPolarHBondContact O-CB 3.49Å; Y264-Y267 PolarHBondContact O-N 3.15Å; L265-Y267 PolarHBondContact O-N 3.03Å; L265-Y267 VanDerWaalsContact O-N 3.15Å; Y267-P269 WeakPolarHBondContact O-CD 3.49Å; Y267-Q299 HydrophobicContact CE1-CB 3.98Å; Y267-Q299 WeakPolarHBondContact CE1-O 3.46Å; Y267-Q299 PolarHBondContact OH-O 3.14Å; Y267-R303 HydrophobicContact CE1-CB 3.88Å; Y267-R303 HydrophobicContact CE1-CG 4.36Å; Y267-R303 PolarHBondContact OH-N 3.07Å; Y267-F306 HydrophobicContact CD2-CE2 4.13Å; Y267-F306 HydrophobicContact CD2-CZ 4.48Å; Y267-F306 AromaticContact CE2-CE2 3.54Å; Y267-F306 HydrophobicContact CE2-CE2 3.54Å; Y267-F306 AromaticContact CE2-CZ 3.56Å; Y267-F306 HydrophobicContact CE2-CZ 3.56Å
268D97.7Very high96.2Very high59 Ų5980.1 Ų80.132%0.31642%0.421SS..  trans-91.2109.6178.3-169.6-30.2000110.4Y264 L265 F270 L271 L272Y264-D268 PolarHBondContact O-N 3.04Å; L265-D268 PolarHBondContact O-N 2.74Å; D268-F270 PolarHBondContact O-N 3.06Å; D268-F270 VanDerWaalsContact O-N 3.11Å; D268-F270 WeakPolarHBondContact OD1-CB 3.48Å; D268-F270 PolarHBondContact OD1-N 3.14Å; D268-L271 HydrophobicContact CB-CB 4.28Å; D268-L271 HydrophobicContact CB-CD1 4.16Å; D268-L271 HydrophobicContact CB-CG 4.22Å; D268-L271 PolarHBondContact O-N 3.4Å; D268-L272 PolarHBondContact O-N 2.89Å
269P96.6Very high96.3Very high57 Ų5774.6 Ų74.637%0.3739%0.392SS..THydrogen-bonded Turntrans-64.8-15-177.2-21.535.3000114.7Y267 L272 P274Y267-P269 WeakPolarHBondContact O-CD 3.49Å; P269-L272 WeakPolarHBondContact CA-O 3.47Å; P269-P274 HydrophobicContact CB-CG 4.38Å
270F97.6Very high96.2Very high194 Ų19482.2 Ų82.285%0.85141%0.41SS*.THydrogen-bonded Turntrans-82.3-25.6175.5-67.2-73.9000112.6D268D268-F270 PolarHBondContact O-N 3.06Å; D268-F270 VanDerWaalsContact O-N 3.11Å; D268-F270 WeakPolarHBondContact OD1-CB 3.48Å; D268-F270 PolarHBondContact OD1-N 3.14Å
271L96.7Very high96.2Very high102 Ų10283.5 Ų83.553%0.53442%0.424SS..THydrogen-bonded Turntrans-101-37.2-177.1-58.1179.1000111.5L265 D268L265-L271 HydrophobicContact CD1-CD1 3.48Å; L265-L271 VanDerWaalsContact CD1-CD1 3.48Å; D268-L271 HydrophobicContact CB-CB 4.28Å; D268-L271 HydrophobicContact CB-CD1 4.16Å; D268-L271 HydrophobicContact CB-CG 4.22Å; D268-L271 PolarHBondContact O-N 3.4Å
272L95.7Very high96.2Very high75 Ų7582 Ų8239%0.39342%0.417SS..SBendtrans-132.8134.1178-72.1171.3000110.6E266 D268 P269E266-L272 HydrophobicContact CB-CD1 4.46Å; E266-L272 HydrophobicContact CG-CD1 4.29Å; D268-L272 PolarHBondContact O-N 2.89Å; P269-L272 WeakPolarHBondContact CA-O 3.47Å
273P95Very high96.2Very high113 Ų11382 Ų8273%0.73442%0.422SS*.PPolyproline II helixtrans-66.5132.3-178.326.8-33.4000110.6
274P94.4Very high96.3Very high18 Ų1881.1 Ų81.112%0.11742%0.42CS..PPolyproline II helixtrans-70.3153.4175.629.3-33.5000111.5P269 P276 S277 N278 F287P269-P274 HydrophobicContact CB-CG 4.38Å; P274-P276 CarbonylContact O-C 3.54Å; P274-P276 VanDerWaalsContact O-C 3.29Å; P274-S277 VanDerWaalsContact O-CA 3.32Å; P274-S277 WeakPolarHBondContact O-CA 3.38Å; P274-S277 PolarHBondContact O-N 3.09Å; P274-S277 VanDerWaalsContact O-N 3.16Å; P274-N278 HydrophobicContact CG-CB 3.88Å; P274-F287 HydrophobicContact CB-CD2 3.89Å; P274-F287 HydrophobicContact CB-CE1 4.29Å; P274-F287 HydrophobicContact CB-CE2 3.64Å; P274-F287 HydrophobicContact CB-CG 4.32Å; P274-F287 HydrophobicContact CB-CZ 3.86Å
275D90.1Very high96.3Very high102 Ų10282.6 Ų82.655%0.54543%0.432SS..SBendtrans-93124.1176-179.429.4000109.8F287D275-F287 WeakPolarHBondContact O-CD2 3.42Å
276P93.8Very high96.3Very high61 Ų6181.5 Ų81.540%0.39643%0.429SS..SBendcis-83-32.17.331.5-35.4000115P274 T286P274-P276 CarbonylContact O-C 3.54Å; P274-P276 VanDerWaalsContact O-C 3.29Å; P276-T286 HydrophobicContact CG-CG2 3.96Å
277S96.1Very high96.4Very high30 Ų3078.6 Ų78.621%0.2142%0.415CS..  trans-160.5164.2178.765.60000111.1P274 P279 S282P274-S277 VanDerWaalsContact O-CA 3.32Å; P274-S277 WeakPolarHBondContact O-CA 3.38Å; P274-S277 PolarHBondContact O-N 3.09Å; P274-S277 VanDerWaalsContact O-N 3.16Å; S277-P279 VanDerWaalsContact O-CD 3.31Å; S277-P279 WeakPolarHBondContact O-CD 3.41Å; S277-S282 WeakPolarHBondContact OG-CB 3.46Å; S277-S282 PolarHBondContact OG-OG 2.99Å
278N97.4Very high96.4Very high28 Ų2882 Ų8215%0.1543%0.427CS..  trans-77.8115.7173.2-173.6-26.8000109.5P274 W280 L281 S282P274-N278 HydrophobicContact CG-CB 3.88Å; N278-W280 PolarHBondContact O-N 2.83Å; N278-W280 VanDerWaalsContact OD1-CD1 3.24Å; N278-W280 PolarHBondContact OD1-N 3.16Å; N278-W280 VanDerWaalsContact OD1-N 3.14Å; N278-L281 HydrophobicContact CB-CB 4.38Å; N278-L281 HydrophobicContact CB-CD1 4.1Å; N278-L281 HydrophobicContact CB-CG 4.16Å; N278-L281 PolarHBondContact O-N 3.39Å; N278-S282 PolarHBondContact O-N 3.16Å; N278-S282 VanDerWaalsContact O-N 3.09Å; N278-S282 PolarHBondContact O-OG 3.46Å
279P98.1Very high96.4Very high6 Ų685.3 Ų85.34%0.03944%0.441CS..Hα-helixtrans-57.7-27.8-175.3-28.137.7000114.2S277 L281 D283 D284 F287 W288S277-P279 VanDerWaalsContact O-CD 3.31Å; S277-P279 WeakPolarHBondContact O-CD 3.41Å; P279-L281 PolarHBondContact O-N 3.22Å; P279-D283 WeakPolarHBondContact O-CA 3.45Å; P279-D283 PolarHBondContact O-N 3.35Å; P279-D284 WeakPolarHBondContact CA-O 3.41Å; P279-D284 VanDerWaalsContact CB-O 3.28Å; P279-D284 WeakPolarHBondContact CB-O 3.43Å; P279-D284 WeakPolarHBondContact CG-O 3.37Å; P279-F287 HydrophobicContact CG-CB 3.91Å; P279-F287 HydrophobicContact CG-CD1 4.16Å; P279-W288 HydrophobicContact CB-CD2 4.2Å; P279-W288 HydrophobicContact CB-CE3 4.47Å; P279-W288 HydrophobicContact CB-CH2 3.99Å; P279-W288 HydrophobicContact CB-CZ2 3.68Å; P279-W288 HydrophobicContact CB-CZ3 4.38Å; P279-W288 HydrophobicContact CG-CD2 4.05Å; P279-W288 HydrophobicContact CG-CG 4.25Å; P279-W288 HydrophobicContact CG-CZ2 4.13Å
280W97.8Very high96.3Very high197 Ų19786.5 Ų86.575%0.74644%0.444SS*.Hα-helixtrans-73.3-15.7178-56.9108.4000113.9N278 W288N278-W280 PolarHBondContact O-N 2.83Å; N278-W280 VanDerWaalsContact OD1-CD1 3.24Å; N278-W280 PolarHBondContact OD1-N 3.16Å; N278-W280 VanDerWaalsContact OD1-N 3.14Å; W280-W288 HydrophobicContact CD2-CZ2 4.37Å; W280-W288 AromaticContact CE2-CZ2 3.76Å; W280-W288 HydrophobicContact CH2-CH2 4.3Å; W280-W288 HydrophobicContact CH2-CZ2 4.39Å; W280-W288 HydrophobicContact CZ2-CH2 4.15Å; W280-W288 AromaticContact CZ2-CZ2 3.78Å; W280-W288 HydrophobicContact CZ2-CZ2 3.78Å; W280-W288 AromaticContact NE1-CZ2 3.94Å
281L97.8Very high96.1Very high148 Ų14880.8 Ų80.878%0.77542%0.42SS*.Hα-helixtrans-108.3-28.1-179.6-58.8-179.1000112.4N278 P279N278-L281 HydrophobicContact CB-CB 4.38Å; N278-L281 HydrophobicContact CB-CD1 4.1Å; N278-L281 HydrophobicContact CB-CG 4.16Å; N278-L281 PolarHBondContact O-N 3.39Å; P279-L281 PolarHBondContact O-N 3.22Å
282S97.4Very high96Very high52 Ų5279.9 Ų79.936%0.36443%0.427SS..Hα-helixtrans-107.2-11.8-17558.60000114.4S277 N278 D284S277-S282 WeakPolarHBondContact OG-CB 3.46Å; S277-S282 PolarHBondContact OG-OG 2.99Å; N278-S282 PolarHBondContact O-N 3.16Å; N278-S282 VanDerWaalsContact O-N 3.09Å; N278-S282 PolarHBondContact O-OG 3.46Å; S282-D284 PolarHBondContact O-N 2.94Å; S282-D284 VanDerWaalsContact O-N 3.15Å; S282-D284 PolarHBondContact OG-N 2.95Å
283D97.4Very high95.9Very high149 Ų14978.2 Ų78.280%0.79742%0.422SS*.  trans55.619.8-168.3-61.2-40.1000113.7P279P279-D283 WeakPolarHBondContact O-CA 3.45Å; P279-D283 PolarHBondContact O-N 3.35Å
284D97.3Very high95.9Very high58 Ų5881.6 Ų81.631%0.3143%0.425SS..  trans-102.1114176174.217.7000110.7P279 S282 T286P279-D284 WeakPolarHBondContact CA-O 3.41Å; P279-D284 VanDerWaalsContact CB-O 3.28Å; P279-D284 WeakPolarHBondContact CB-O 3.43Å; P279-D284 WeakPolarHBondContact CG-O 3.37Å; S282-D284 PolarHBondContact O-N 2.94Å; S282-D284 VanDerWaalsContact O-N 3.15Å; S282-D284 PolarHBondContact OG-N 2.95Å; D284-T286 VanDerWaalsContact C-N 3.27Å; D284-T286 PolarHBondContact O-N 2.94Å; D284-T286 WeakPolarHBondContact OD1-CB 3.39Å; D284-T286 PolarHBondContact OD1-N 3.11Å; D284-T286 PolarHBondContact OD1-OG1 3.31Å; D284-T286 PolarHBondContact OD2-OG1 3.31Å
285T97.9Very high95.8Very high64 Ų6488.7 Ų88.739%0.39346%0.457SS..THydrogen-bonded Turntrans-81.70.4-177.857.50000114.3F287 W288 E289T285-F287 PolarHBondContact O-N 2.88Å; T285-F287 VanDerWaalsContact O-N 3.15Å; T285-W288 HydrophobicContact CG2-CE3 3.76Å; T285-W288 HydrophobicContact CG2-CZ3 3.73Å; T285-W288 PolarHBondContact O-N 3.47Å; T285-E289 PolarHBondContact O-N 2.87Å
286T97.3Very high96Very high53 Ų5385.3 Ų85.333%0.32544%0.44SS..Hα-helixtrans-52.9-38.7-177-61.10000112.7P276 D284 W288 E289 L290P276-T286 HydrophobicContact CG-CG2 3.96Å; D284-T286 VanDerWaalsContact C-N 3.27Å; D284-T286 PolarHBondContact O-N 2.94Å; D284-T286 WeakPolarHBondContact OD1-CB 3.39Å; D284-T286 PolarHBondContact OD1-N 3.11Å; D284-T286 PolarHBondContact OD1-OG1 3.31Å; D284-T286 PolarHBondContact OD2-OG1 3.31Å; T286-W288 VanDerWaalsContact C-N 3.34Å; T286-W288 PolarHBondContact O-N 2.93Å; T286-E289 PolarHBondContact O-N 2.8Å; T286-L290 HydrophobicContact CG2-CD1 4.01Å; T286-L290 HydrophobicContact CG2-CG 4.27Å; T286-L290 WeakPolarHBondContact O-CG 3.36Å; T286-L290 PolarHBondContact O-N 3.06Å
287F96Very high96Very high41 Ų4184.2 Ų84.218%0.1843%0.434CS..Hα-helixtrans-58.5-43.3177.3174-110000112.7P274 D275 P279 T285 E289 L290 E291P274-F287 HydrophobicContact CB-CD2 3.89Å; P274-F287 HydrophobicContact CB-CE1 4.29Å; P274-F287 HydrophobicContact CB-CE2 3.64Å; P274-F287 HydrophobicContact CB-CG 4.32Å; P274-F287 HydrophobicContact CB-CZ 3.86Å; D275-F287 WeakPolarHBondContact O-CD2 3.42Å; P279-F287 HydrophobicContact CG-CB 3.91Å; P279-F287 HydrophobicContact CG-CD1 4.16Å; T285-F287 PolarHBondContact O-N 2.88Å; T285-F287 VanDerWaalsContact O-N 3.15Å; F287-E289 VanDerWaalsContact C-N 3.35Å; F287-E289 PolarHBondContact O-N 2.92Å; F287-L290 PolarHBondContact O-N 3.19Å; F287-E291 HydrophobicContact CD2-CG 4.34Å; F287-E291 HydrophobicContact CE1-CG 4.28Å; F287-E291 HydrophobicContact CE2-CG 3.8Å; F287-E291 HydrophobicContact CZ-CG 3.78Å; F287-E291 PolarHBondContact O-N 3.35Å
288W97.4Very high95.8Very high114 Ų11487.2 Ų87.243%0.43245%0.445SS..Hα-helixtrans-67-37178.7-64.5-26000112.2P279 W280 T285 T286 E291 A292P279-W288 HydrophobicContact CB-CD2 4.2Å; P279-W288 HydrophobicContact CB-CE3 4.47Å; P279-W288 HydrophobicContact CB-CH2 3.99Å; P279-W288 HydrophobicContact CB-CZ2 3.68Å; P279-W288 HydrophobicContact CB-CZ3 4.38Å; P279-W288 HydrophobicContact CG-CD2 4.05Å; P279-W288 HydrophobicContact CG-CG 4.25Å; P279-W288 HydrophobicContact CG-CZ2 4.13Å; W280-W288 HydrophobicContact CD2-CZ2 4.37Å; W280-W288 AromaticContact CE2-CZ2 3.76Å; W280-W288 HydrophobicContact CH2-CH2 4.3Å; W280-W288 HydrophobicContact CH2-CZ2 4.39Å; W280-W288 HydrophobicContact CZ2-CH2 4.15Å; W280-W288 AromaticContact CZ2-CZ2 3.78Å; W280-W288 HydrophobicContact CZ2-CZ2 3.78Å; W280-W288 AromaticContact NE1-CZ2 3.94Å; T285-W288 HydrophobicContact CG2-CE3 3.76Å; T285-W288 HydrophobicContact CG2-CZ3 3.73Å; T285-W288 PolarHBondContact O-N 3.47Å; T286-W288 VanDerWaalsContact C-N 3.34Å; T286-W288 PolarHBondContact O-N 2.93Å; W288-E291 PolarHBondContact O-N 3.15Å; W288-A292 WeakPolarHBondContact O-CB 3.36Å; W288-A292 PolarHBondContact O-N 3.06Å
289E96.8Very high95.6Very high129 Ų12990.1 Ų90.160%0.60346%0.458SS*.Hα-helixtrans-65.4-42.2176.1-64.6-179.8-175.100111.5T285 T286 F287 A292 S293T285-E289 PolarHBondContact O-N 2.87Å; T286-E289 PolarHBondContact O-N 2.8Å; F287-E289 VanDerWaalsContact C-N 3.35Å; F287-E289 PolarHBondContact O-N 2.92Å; E289-A292 PolarHBondContact O-N 3.45Å; E289-S293 PolarHBondContact O-N 2.87Å
290L94Very high95.5Very high83 Ų8391 Ų9144%0.43546%0.46SS..Hα-helixtrans-63.2-42.7175.8-70.7172.4000112.1T286 F287 A292 S293T286-L290 HydrophobicContact CG2-CD1 4.01Å; T286-L290 HydrophobicContact CG2-CG 4.27Å; T286-L290 WeakPolarHBondContact O-CG 3.36Å; T286-L290 PolarHBondContact O-N 3.06Å; F287-L290 PolarHBondContact O-N 3.19Å; L290-A292 VanDerWaalsContact C-N 3.32Å; L290-A292 PolarHBondContact O-N 3.46Å; L290-S293 VanDerWaalsContact O-CB 3.24Å; L290-S293 WeakPolarHBondContact O-CB 3.36Å; L290-S293 PolarHBondContact O-N 3.46Å
291E93.6Very high95.5Very high73 Ų7381.7 Ų81.734%0.34143%0.425SS..Hα-helixtrans-69.6-28.1177.5-74-63.2113.100112.8F287 W288 R300F287-E291 HydrophobicContact CD2-CG 4.34Å; F287-E291 HydrophobicContact CE1-CG 4.28Å; F287-E291 HydrophobicContact CE2-CG 3.8Å; F287-E291 HydrophobicContact CZ-CG 3.78Å; F287-E291 PolarHBondContact O-N 3.35Å; W288-E291 PolarHBondContact O-N 3.15Å; E291-R300 PolarHBondContact O-NH1 3.24Å
292A94.8Very high95.4Very high83 Ų8377.4 Ų77.469%0.68640%0.4SS*.Hα-helixtrans-83.4-12.9173.900000113.8W288 E289 L290W288-A292 WeakPolarHBondContact O-CB 3.36Å; W288-A292 PolarHBondContact O-N 3.06Å; E289-A292 PolarHBondContact O-N 3.45Å; L290-A292 VanDerWaalsContact C-N 3.32Å; L290-A292 PolarHBondContact O-N 3.46Å
293S94.5Very high95.4Very high41 Ų4179.1 Ų79.129%0.28740%0.399SS..  trans-59.2150.8-176.7-175.30000112.7E289 L290 E295 R300E289-S293 PolarHBondContact O-N 2.87Å; L290-S293 VanDerWaalsContact O-CB 3.24Å; L290-S293 WeakPolarHBondContact O-CB 3.36Å; L290-S293 PolarHBondContact O-N 3.46Å; S293-E295 VanDerWaalsContact C-N 3.27Å; S293-E295 PolarHBondContact OG-N 3.08Å; S293-E295 VanDerWaalsContact OG-N 3.08Å; S293-E295 PolarHBondContact OG-O 3.27Å; S293-R300 PolarHBondContact O-NH1 3.3Å
294K94.1Very high95.4Very high184 Ų18472.1 Ų72.180%0.836%0.361SS*.SBendtrans-76.1-18.4169.3-66.2-171.3178.8-173.40112.5P296K294-P296 WeakPolarHBondContact O-CD 3.35Å
295E93.2Very high95.4Very high166 Ų16669.6 Ų69.678%0.77635%0.349SS*.SBendtrans-96.2100.8173.7-66.3-175.8-178.400108.5S293S293-E295 VanDerWaalsContact C-N 3.27Å; S293-E295 PolarHBondContact OG-N 3.08Å; S293-E295 VanDerWaalsContact OG-N 3.08Å; S293-E295 PolarHBondContact OG-O 3.27Å
296P93.6Very high95.3Very high32 Ų3268.4 Ų68.421%0.20834%0.338CS..  trans-74.5141-171.432.2-35.8000110.8K294 R300 V301 W304 V316K294-P296 WeakPolarHBondContact O-CD 3.35Å; P296-R300 HydrophobicContact CB-CB 4.41Å; P296-R300 HydrophobicContact CB-CG 4.28Å; P296-V301 HydrophobicContact CB-CG2 3.84Å; P296-V301 HydrophobicContact CG-CG2 3.65Å; P296-W304 HydrophobicContact CB-CH2 4.09Å; P296-W304 HydrophobicContact CB-CZ2 4.08Å; P296-W304 HydrophobicContact CG-CH2 3.83Å; P296-W304 HydrophobicContact CG-CZ2 4.33Å; P296-V316 HydrophobicContact CG-CG1 4.08Å
297S93.1Very high95.3Very high38 Ų3866.9 Ų66.927%0.26633%0.333SS..  trans-65.2159.7172.477.50000111.3Q299 R300 V301S297-Q299 PolarHBondContact O-N 2.97Å; S297-R300 PolarHBondContact O-N 3.19Å; S297-R300 VanDerWaalsContact O-N 3.16Å; S297-R300 WeakPolarHBondContact OG-CB 3.42Å; S297-R300 PolarHBondContact OG-N 3.24Å; S297-R300 VanDerWaalsContact OG-N 3.14Å; S297-V301 WeakPolarHBondContact O-CG2 3.43Å; S297-V301 PolarHBondContact O-N 3.33Å
298Q93.1Very high95.4Very high93 Ų9365 Ų6544%0.43533%0.325SS..Hα-helixtrans-59-37.1176.8-173.9179.838.900112.3V301 K302 L422Q298-V301 PolarHBondContact O-N 3.07Å; Q298-K302 VanDerWaalsContact O-CB 3.29Å; Q298-K302 WeakPolarHBondContact O-CB 3.47Å; Q298-K302 PolarHBondContact O-N 2.64Å; Q298-L422 HydrophobicContact CG-CD1 4.21Å; Q298-L422 PolarHBondContact NE2-O 3.13Å
299Q93Very high95.4Very high89 Ų8962.4 Ų62.442%0.41632%0.32SS..Hα-helixtrans-66.1-45176.7-73.8-176.6-1400110.9Y267 S297 V301 K302 R303Y267-Q299 HydrophobicContact CE1-CB 3.98Å; Y267-Q299 WeakPolarHBondContact CE1-O 3.46Å; Y267-Q299 PolarHBondContact OH-O 3.14Å; S297-Q299 PolarHBondContact O-N 2.97Å; Q299-V301 VanDerWaalsContact C-N 3.33Å; Q299-V301 PolarHBondContact O-N 3.25Å; Q299-K302 WeakPolarHBondContact O-CB 3.46Å; Q299-K302 PolarHBondContact O-N 2.95Å; Q299-R303 PolarHBondContact O-N 3.44Å
300R95.4Very high95.5Very high24 Ų2456.9 Ų56.99%0.09129%0.294CS..Hα-helixtrans-58.9-43.1175.9-173.9170.1170.4-158.5-3.5112E291 S293 P296 S297 R303 W304 D314E291-R300 PolarHBondContact O-NH1 3.24Å; S293-R300 PolarHBondContact O-NH1 3.3Å; P296-R300 HydrophobicContact CB-CB 4.41Å; P296-R300 HydrophobicContact CB-CG 4.28Å; S297-R300 PolarHBondContact O-N 3.19Å; S297-R300 VanDerWaalsContact O-N 3.16Å; S297-R300 WeakPolarHBondContact OG-CB 3.42Å; S297-R300 PolarHBondContact OG-N 3.24Å; S297-R300 VanDerWaalsContact OG-N 3.14Å; R300-R303 WeakPolarHBondContact O-CB 3.36Å; R300-R303 PolarHBondContact O-N 2.75Å; R300-W304 PolarHBondContact O-NE1 2.91Å; R300-D314 WeakPolarHBondContact CG-OD2 3.48Å; R300-D314 IonicContact CZ-OD1 3.94Å; R300-D314 IonicContact CZ-OD2 2.84Å; R300-D314 IonicContact NE-OD1 3.61Å; R300-D314 IonicContact NE-OD2 3.59Å; R300-D314 PolarHBondContact NE-OD2 3.31Å; R300-D314 IonicContact NH2-OD1 3.8Å; R300-D314 PolarHBondContact NH2-OD1 3.2Å; R300-D314 IonicContact NH2-OD2 2.66Å; R300-D314 PolarHBondContact NH2-OD2 2.96Å
301V97.2Very high95.6Very high1 Ų153 Ų531%0.00627%0.273CS..Hα-helixtrans-65.6-45174178.90000111.8P296 S297 Q298 Q299 R303 W304 Y418 L421 L422P296-V301 HydrophobicContact CB-CG2 3.84Å; P296-V301 HydrophobicContact CG-CG2 3.65Å; S297-V301 WeakPolarHBondContact O-CG2 3.43Å; S297-V301 PolarHBondContact O-N 3.33Å; Q298-V301 PolarHBondContact O-N 3.07Å; Q299-V301 VanDerWaalsContact C-N 3.33Å; Q299-V301 PolarHBondContact O-N 3.25Å; V301-R303 PolarHBondContact O-N 3.35Å; V301-W304 HydrophobicContact CB-CE3 4.32Å; V301-W304 HydrophobicContact CB-CZ3 4.36Å; V301-W304 HydrophobicContact CG1-CE3 3.98Å; V301-W304 HydrophobicContact CG1-CZ3 4.11Å; V301-W304 HydrophobicContact CG2-CE3 4.38Å; V301-W304 HydrophobicContact CG2-CH2 4.01Å; V301-W304 HydrophobicContact CG2-CZ3 3.94Å; V301-W304 WeakPolarHBondContact O-CB 3.3Å; V301-W304 PolarHBondContact O-N 3.33Å; V301-W304 VanDerWaalsContact O-N 3.09Å; V301-Y418 HydrophobicContact CG1-CD2 4.25Å; V301-Y418 HydrophobicContact CG1-CE2 3.74Å; V301-Y418 PolarHBondContact O-OH 3.46Å; V301-L421 HydrophobicContact CG1-CB 4.06Å; V301-L421 HydrophobicContact CG2-CB 4.43Å; V301-L422 HydrophobicContact CG1-CB 4.26Å; V301-L422 HydrophobicContact CG1-CD1 4.18Å
302K96.4Very high95.8Very high59 Ų5949.8 Ų49.826%0.25726%0.259SS..Hα-helixtrans-56.4-37.2178-178.9-175.1173.6-166.70111.5E266 Q298 Q299 W304 G305 L422 F441E266-K302 IonicContact OE2-NZ 3.7Å; E266-K302 PolarHBondContact OE2-NZ 3.34Å; Q298-K302 VanDerWaalsContact O-CB 3.29Å; Q298-K302 WeakPolarHBondContact O-CB 3.47Å; Q298-K302 PolarHBondContact O-N 2.64Å; Q299-K302 WeakPolarHBondContact O-CB 3.46Å; Q299-K302 PolarHBondContact O-N 2.95Å; K302-W304 VanDerWaalsContact C-N 3.33Å; K302-W304 PolarHBondContact O-N 3.38Å; K302-G305 PolarHBondContact O-N 2.95Å; K302-G305 VanDerWaalsContact O-N 3.09Å; K302-L422 HydrophobicContact CB-CD1 3.96Å; K302-F441 HydrophobicContact CG-CZ 4.24Å
303R97.3Very high95.9Very high87 Ų8752.1 Ų52.133%0.32825%0.253SS..Hα-helixtrans-63.3-33.8178.5-171.7176.4169.4163.54113.1Y264 Y267 Q299 R300 V301 G305 F306 E310Y264-R303 HydrophobicContact CE1-CG 4.31Å; Y267-R303 HydrophobicContact CE1-CB 3.88Å; Y267-R303 HydrophobicContact CE1-CG 4.36Å; Y267-R303 PolarHBondContact OH-N 3.07Å; Q299-R303 PolarHBondContact O-N 3.44Å; R300-R303 WeakPolarHBondContact O-CB 3.36Å; R300-R303 PolarHBondContact O-N 2.75Å; V301-R303 PolarHBondContact O-N 3.35Å; R303-G305 PolarHBondContact O-N 3.13Å; R303-F306 HydrophobicContact CB-CD2 4.48Å; R303-F306 HydrophobicContact CB-CE2 4.5Å; R303-F306 HydrophobicContact CG-CD2 3.97Å; R303-F306 HydrophobicContact CG-CE2 4.21Å; R303-F306 VanDerWaalsContact O-CB 3.26Å; R303-F306 WeakPolarHBondContact O-CB 3.4Å; R303-F306 WeakPolarHBondContact O-CG 3.27Å; R303-F306 PolarHBondContact O-N 2.87Å; R303-E310 HydrophobicContact CG-CB 4.46Å; R303-E310 HydrophobicContact CG-CG 4.36Å; R303-E310 IonicContact CZ-OE2 3.58Å; R303-E310 VanDerWaalsContact CZ-OE2 3.25Å; R303-E310 IonicContact NE-OE2 3.62Å; R303-E310 PolarHBondContact NE-OE2 2.87Å; R303-E310 IonicContact NH2-OE2 2.73Å; R303-E310 PolarHBondContact NH2-OE2 3.46Å; R303-E310 WeakPolarHBondContact O-CB 3.48Å
304W97.9Very high96Very high2 Ų251.1 Ų51.11%0.00825%0.245CC..Hα-helixtrans-59.1-33.8173.3-55.1-18.8000111.4P296 R300 V301 K302 F306 G307 A311 D314 V316 G317 Q320 Y409 Y418 L421P296-W304 HydrophobicContact CB-CH2 4.09Å; P296-W304 HydrophobicContact CB-CZ2 4.08Å; P296-W304 HydrophobicContact CG-CH2 3.83Å; P296-W304 HydrophobicContact CG-CZ2 4.33Å; R300-W304 PolarHBondContact O-NE1 2.91Å; V301-W304 HydrophobicContact CB-CE3 4.32Å; V301-W304 HydrophobicContact CB-CZ3 4.36Å; V301-W304 HydrophobicContact CG1-CE3 3.98Å; V301-W304 HydrophobicContact CG1-CZ3 4.11Å; V301-W304 HydrophobicContact CG2-CE3 4.38Å; V301-W304 HydrophobicContact CG2-CH2 4.01Å; V301-W304 HydrophobicContact CG2-CZ3 3.94Å; V301-W304 WeakPolarHBondContact O-CB 3.3Å; V301-W304 PolarHBondContact O-N 3.33Å; V301-W304 VanDerWaalsContact O-N 3.09Å; K302-W304 VanDerWaalsContact C-N 3.33Å; K302-W304 PolarHBondContact O-N 3.38Å; W304-F306 PolarHBondContact O-N 3.27Å; W304-G307 PolarHBondContact O-N 3.05Å; W304-A311 HydrophobicContact CB-CB 4.11Å; W304-A311 HydrophobicContact CG-CB 4.23Å; W304-D314 VanDerWaalsContact NE1-CG 3.28Å; W304-D314 PolarHBondContact NE1-OD2 3.25Å; W304-V316 HydrophobicContact CH2-CB 4.38Å; W304-V316 HydrophobicContact CH2-CG1 3.99Å; W304-V316 HydrophobicContact CZ2-CB 4.23Å; W304-V316 HydrophobicContact CZ2-CG1 4.32Å; W304-G317 VanDerWaalsContact CZ2-CA 3.46Å; W304-G317 VanDerWaalsContact CZ2-N 3.34Å; W304-Q320 HydrophobicContact CH2-CG 4.4Å; W304-Q320 HydrophobicContact CZ3-CG 4.33Å; W304-Y409 PolarHBondContact O-OH 3.4Å; W304-Y418 HydrophobicContact CB-CE2 4.3Å; W304-Y418 HydrophobicContact CE3-CD2 4.48Å; W304-Y418 HydrophobicContact CE3-CE2 4.27Å; W304-L421 HydrophobicContact CZ3-CD1 4.24Å
305G96.9Very high96.2Very high6 Ų646.7 Ų46.76%0.06224%0.235CC..THydrogen-bonded Turntrans-62-12.4175.400000115.2K302 R303 G307 Y418K302-G305 PolarHBondContact O-N 2.95Å; K302-G305 VanDerWaalsContact O-N 3.09Å; R303-G305 PolarHBondContact O-N 3.13Å; G305-G307 VanDerWaalsContact C-N 3.35Å; G305-Y418 PolarHBondContact N-OH 3.26Å
306F96.6Very high96.4Very high38 Ų3839.4 Ų39.417%0.16720%0.201CC..THydrogen-bonded Turntrans-75.1-26178.1-61.4-12.8000112.9Q263 Y264 Y267 R303 W304 E310 F441Q263-F306 HydrophobicContact CG-CD1 3.86Å; Q263-F306 HydrophobicContact CG-CD2 3.75Å; Q263-F306 HydrophobicContact CG-CE1 3.8Å; Q263-F306 HydrophobicContact CG-CE2 3.68Å; Q263-F306 HydrophobicContact CG-CG 3.82Å; Q263-F306 HydrophobicContact CG-CZ 3.68Å; Q263-F306 WeakPolarHBondContact O-CE2 3.23Å; Q263-F306 WeakPolarHBondContact O-CZ 3.39Å; Y264-F306 HydrophobicContact CD1-CD2 4.38Å; Y264-F306 HydrophobicContact CD1-CE2 4.34Å; Y264-F306 AromaticContact CE1-CD2 3.82Å; Y264-F306 HydrophobicContact CE1-CD2 3.82Å; Y264-F306 HydrophobicContact CE1-CE2 4.21Å; Y264-F306 HydrophobicContact CE2-CD2 4Å; Y264-F306 AromaticContact CZ-CD2 3.61Å; Y267-F306 HydrophobicContact CD2-CE2 4.13Å; Y267-F306 HydrophobicContact CD2-CZ 4.48Å; Y267-F306 AromaticContact CE2-CE2 3.54Å; Y267-F306 HydrophobicContact CE2-CE2 3.54Å; Y267-F306 AromaticContact CE2-CZ 3.56Å; Y267-F306 HydrophobicContact CE2-CZ 3.56Å; R303-F306 HydrophobicContact CB-CD2 4.48Å; R303-F306 HydrophobicContact CB-CE2 4.5Å; R303-F306 HydrophobicContact CG-CD2 3.97Å; R303-F306 HydrophobicContact CG-CE2 4.21Å; R303-F306 VanDerWaalsContact O-CB 3.26Å; R303-F306 WeakPolarHBondContact O-CB 3.4Å; R303-F306 WeakPolarHBondContact O-CG 3.27Å; R303-F306 PolarHBondContact O-N 2.87Å; W304-F306 PolarHBondContact O-N 3.27Å; F306-E310 HydrophobicContact CB-CG 4.31Å; F306-F441 HydrophobicContact CE1-CE2 4.47Å
307G96.3Very high96.5Very high21 Ų2137.9 Ų37.922%0.21619%0.192CC..  trans166.5162.5176.500000112.7W304 G305 D309 E310 Y409W304-G307 PolarHBondContact O-N 3.05Å; G305-G307 VanDerWaalsContact C-N 3.35Å; G307-D309 PolarHBondContact O-N 3.46Å; G307-E310 PolarHBondContact O-N 3.37Å; G307-Y409 VanDerWaalsContact C-CE1 3.41Å; G307-Y409 PolarHBondContact O-OH 3.3Å
308M98.1Very high96.8Very high1 Ų140.3 Ų40.31%0.00520%0.195CC..Hα-helixtrans-56.9-33.9-178.6-168.7173.274.300112.7E310 A311 L312 F321 Y401 M404 K405 Y409M308-E310 VanDerWaalsContact C-N 3.27Å; M308-E310 PolarHBondContact O-N 3.12Å; M308-A311 PolarHBondContact O-N 3.19Å; M308-L312 HydrophobicContact CE-CD1 3.95Å; M308-L312 HydrophobicContact CG-CD1 3.79Å; M308-L312 HydrophobicContact CG-CG 4.03Å; M308-L312 WeakPolarHBondContact O-CB 3.41Å; M308-L312 VanDerWaalsContact O-CG 3.3Å; M308-L312 WeakPolarHBondContact O-CG 3.16Å; M308-L312 PolarHBondContact O-N 3.49Å; M308-L312 HydrophobicContact SD-CD1 4.33Å; M308-F321 HydrophobicContact CG-CE1 4.47Å; M308-F321 HydrophobicContact SD-CE1 4.26Å; M308-Y401 HydrophobicContact CE-CD1 4.18Å; M308-Y401 HydrophobicContact CE-CD2 3.24Å; M308-Y401 HydrophobicContact CE-CE1 4.07Å; M308-Y401 HydrophobicContact CE-CE2 3.15Å; M308-Y401 HydrophobicContact CE-CG 3.77Å; M308-Y401 WeakPolarHBondContact CE-O 3.28Å; M308-M404 HydrophobicContact CE-CB 4.34Å; M308-M404 HydrophobicContact SD-CB 3.73Å; M308-K405 HydrophobicContact CE-CB 3.84Å; M308-K405 HydrophobicContact SD-CB 4.25Å; M308-Y409 VanDerWaalsContact CA-CE1 3.43Å; M308-Y409 HydrophobicContact CB-CD1 3.74Å; M308-Y409 HydrophobicContact CB-CD2 3.9Å; M308-Y409 HydrophobicContact CB-CE1 4.01Å; M308-Y409 HydrophobicContact CB-CE2 4.15Å; M308-Y409 HydrophobicContact CB-CG 3.67Å; M308-Y409 HydrophobicContact CG-CD1 4.33Å; M308-Y409 HydrophobicContact CG-CD2 3.58Å; M308-Y409 HydrophobicContact CG-CE2 4.01Å; M308-Y409 HydrophobicContact CG-CG 3.75Å; M308-Y409 HydrophobicContact SD-CD2 4.33Å; M308-Y409 HydrophobicContact SD-CG 4.25Å
309D97.4Very high97Very high61 Ų6141.7 Ų41.733%0.32620%0.202SC..Hα-helixtrans-60.5-34.8178.3-59.9-62.6000112.7G307 K313 Y401 K405G307-D309 PolarHBondContact O-N 3.46Å; D309-K313 WeakPolarHBondContact O-CB 3.25Å; D309-K313 WeakPolarHBondContact O-CD 3.39Å; D309-K313 WeakPolarHBondContact O-CG 3.33Å; D309-K313 PolarHBondContact O-N 3.22Å; D309-K313 VanDerWaalsContact O-N 3.08Å; D309-Y401 PolarHBondContact OD1-OH 3.31Å; D309-Y401 PolarHBondContact OD2-OH 3.16Å; D309-K405 IonicContact OD2-NZ 2.79Å; D309-K405 PolarHBondContact OD2-NZ 2.87Å
310E98.1Very high97.2Very high13 Ų1339.6 Ų39.66%0.06119%0.192CC..Hα-helixtrans-70.7-43.1179.4-66-55.6113.600111.5Y264 R303 F306 G307 M308 K313 D314Y264-E310 WeakPolarHBondContact OH-CG 3.39Å; Y264-E310 PolarHBondContact OH-OE1 3.33Å; R303-E310 HydrophobicContact CG-CB 4.46Å; R303-E310 HydrophobicContact CG-CG 4.36Å; R303-E310 IonicContact CZ-OE2 3.58Å; R303-E310 VanDerWaalsContact CZ-OE2 3.25Å; R303-E310 IonicContact NE-OE2 3.62Å; R303-E310 PolarHBondContact NE-OE2 2.87Å; R303-E310 IonicContact NH2-OE2 2.73Å; R303-E310 PolarHBondContact NH2-OE2 3.46Å; R303-E310 WeakPolarHBondContact O-CB 3.48Å; F306-E310 HydrophobicContact CB-CG 4.31Å; G307-E310 PolarHBondContact O-N 3.37Å; M308-E310 VanDerWaalsContact C-N 3.27Å; M308-E310 PolarHBondContact O-N 3.12Å; E310-K313 IonicContact OE1-NZ 3.44Å; E310-K313 PolarHBondContact OE1-NZ 3.03Å; E310-D314 WeakPolarHBondContact O-CB 3.43Å; E310-D314 PolarHBondContact O-N 2.91Å
311A97.7Very high97.3Very high0 Ų038.4 Ų38.40%019%0.187CC..Hα-helixtrans-67.6-3717400000112.8W304 M308 D314 G317 R318 Y409W304-A311 HydrophobicContact CB-CB 4.11Å; W304-A311 HydrophobicContact CG-CB 4.23Å; M308-A311 PolarHBondContact O-N 3.19Å; A311-D314 PolarHBondContact O-N 2.82Å; A311-G317 CarbonylContact O-C 3.52Å; A311-R318 PolarHBondContact O-N 3.42Å; A311-Y409 HydrophobicContact CB-CE2 3.69Å; A311-Y409 WeakPolarHBondContact CB-OH 3.1Å
312L97.4Very high97.4Very high6 Ų640.2 Ų40.23%0.03120%0.197CC..Hα-helixtrans-70.7-30.8180-70.8177.7000112.8M308 R318 F321 L334 W337 Y401M308-L312 HydrophobicContact CE-CD1 3.95Å; M308-L312 HydrophobicContact CG-CD1 3.79Å; M308-L312 HydrophobicContact CG-CG 4.03Å; M308-L312 WeakPolarHBondContact O-CB 3.41Å; M308-L312 VanDerWaalsContact O-CG 3.3Å; M308-L312 WeakPolarHBondContact O-CG 3.16Å; M308-L312 PolarHBondContact O-N 3.49Å; M308-L312 HydrophobicContact SD-CD1 4.33Å; L312-R318 PolarHBondContact O-NE 3.45Å; L312-R318 PolarHBondContact O-NH2 2.93Å; L312-F321 HydrophobicContact CD2-CD1 4.43Å; L312-L334 HydrophobicContact CD2-CD1 3.53Å; L312-W337 HydrophobicContact CB-CH2 4.29Å; L312-W337 HydrophobicContact CB-CZ3 4.32Å; L312-W337 HydrophobicContact CD1-CE3 4.3Å; L312-W337 HydrophobicContact CD1-CH2 3.81Å; L312-W337 HydrophobicContact CD1-CZ2 4.08Å; L312-W337 HydrophobicContact CD1-CZ3 3.92Å; L312-W337 HydrophobicContact CD2-CE3 4.38Å; L312-W337 HydrophobicContact CD2-CZ3 4.11Å; L312-W337 HydrophobicContact CG-CZ3 4.35Å; L312-Y401 HydrophobicContact CD1-CD2 4.43Å; L312-Y401 HydrophobicContact CD1-CE2 4.18Å
313K96.6Very high97.4Very high133 Ų13343.8 Ų43.858%0.57821%0.212SC*.Hα-helixtrans-70.5-37.2172.3-72.3168.1-161.7165.90111.9D309 E310D309-K313 WeakPolarHBondContact O-CB 3.25Å; D309-K313 WeakPolarHBondContact O-CD 3.39Å; D309-K313 WeakPolarHBondContact O-CG 3.33Å; D309-K313 PolarHBondContact O-N 3.22Å; D309-K313 VanDerWaalsContact O-N 3.08Å; E310-K313 IonicContact OE1-NZ 3.44Å; E310-K313 PolarHBondContact OE1-NZ 3.03Å
314D97.5Very high97.4Very high20 Ų2040.5 Ų40.511%0.10720%0.2CC..SBendtrans-77.2122.1179.7-167.5-43.8000111.5R300 W304 E310 A311 V316 G317 R318R300-D314 WeakPolarHBondContact CG-OD2 3.48Å; R300-D314 IonicContact CZ-OD1 3.94Å; R300-D314 IonicContact CZ-OD2 2.84Å; R300-D314 IonicContact NE-OD1 3.61Å; R300-D314 IonicContact NE-OD2 3.59Å; R300-D314 PolarHBondContact NE-OD2 3.31Å; R300-D314 IonicContact NH2-OD1 3.8Å; R300-D314 PolarHBondContact NH2-OD1 3.2Å; R300-D314 IonicContact NH2-OD2 2.66Å; R300-D314 PolarHBondContact NH2-OD2 2.96Å; W304-D314 VanDerWaalsContact NE1-CG 3.28Å; W304-D314 PolarHBondContact NE1-OD2 3.25Å; E310-D314 WeakPolarHBondContact O-CB 3.43Å; E310-D314 PolarHBondContact O-N 2.91Å; A311-D314 PolarHBondContact O-N 2.82Å; D314-V316 VanDerWaalsContact C-N 3.31Å; D314-V316 PolarHBondContact O-N 3Å; D314-V316 PolarHBondContact OD1-N 3.29Å; D314-G317 PolarHBondContact O-N 2.86Å; D314-G317 PolarHBondContact OD1-N 2.74Å; D314-R318 WeakPolarHBondContact O-CB 3.41Å; D314-R318 PolarHBondContact O-N 2.91Å
315P96.6Very high97.4Very high91 Ų9140.4 Ų40.459%0.59120%0.2SC*.Hα-helixtrans-58.1-40.8178.6-24.734.3000113.6E319P315-E319 PolarHBondContact O-N 2.85Å; P315-E319 VanDerWaalsContact O-N 3.13Å
316V97.4Very high97.4Very high12 Ų1244.9 Ų44.97%0.07322%0.219CC..Hα-helixtrans-74.6-40.4179.6-176.70000109.6P296 W304 D314 R318 E319 Q320P296-V316 HydrophobicContact CG-CG1 4.08Å; W304-V316 HydrophobicContact CH2-CB 4.38Å; W304-V316 HydrophobicContact CH2-CG1 3.99Å; W304-V316 HydrophobicContact CZ2-CB 4.23Å; W304-V316 HydrophobicContact CZ2-CG1 4.32Å; D314-V316 VanDerWaalsContact C-N 3.31Å; D314-V316 PolarHBondContact O-N 3Å; D314-V316 PolarHBondContact OD1-N 3.29Å; V316-R318 VanDerWaalsContact C-N 3.31Å; V316-R318 PolarHBondContact O-N 3.28Å; V316-E319 PolarHBondContact O-N 3.28Å; V316-Q320 HydrophobicContact CG1-CG 4.38Å; V316-Q320 WeakPolarHBondContact O-CG 3.22Å; V316-Q320 PolarHBondContact O-N 3.37Å
317G97.4Very high97.3Very high0 Ų047 Ų470%024%0.239CC..Hα-helixtrans-58.3-42.9175.200000112.4W304 A311 D314 Q320 F321W304-G317 VanDerWaalsContact CZ2-CA 3.46Å; W304-G317 VanDerWaalsContact CZ2-N 3.34Å; A311-G317 CarbonylContact O-C 3.52Å; D314-G317 PolarHBondContact O-N 2.86Å; D314-G317 PolarHBondContact OD1-N 2.74Å; G317-Q320 PolarHBondContact O-N 2.73Å; G317-F321 WeakPolarHBondContact O-CB 3.28Å; G317-F321 PolarHBondContact O-N 3.28Å
318R97.9Very high97.2Very high90 Ų9049.5 Ų49.534%0.3425%0.245SC..Hα-helixtrans-63.4-43.6174.9-175-168.7-61.11738.2112.2A311 L312 D314 V316 F321 L322 L338A311-R318 PolarHBondContact O-N 3.42Å; L312-R318 PolarHBondContact O-NE 3.45Å; L312-R318 PolarHBondContact O-NH2 2.93Å; D314-R318 WeakPolarHBondContact O-CB 3.41Å; D314-R318 PolarHBondContact O-N 2.91Å; V316-R318 VanDerWaalsContact C-N 3.31Å; V316-R318 PolarHBondContact O-N 3.28Å; R318-F321 PolarHBondContact O-N 2.93Å; R318-L322 WeakPolarHBondContact O-CB 3.48Å; R318-L322 PolarHBondContact O-N 3.38Å; R318-L338 HydrophobicContact CG-CD1 4.18Å; R318-L338 HydrophobicContact CG-CD2 4.27Å
319E97.4Very high96.8Very high122 Ų12258.3 Ų58.357%0.5728%0.283SS*.Hα-helixtrans-62.2-46.1177.6-174.7-179.2175.500111.4P315 V316 F321 L322 K323P315-E319 PolarHBondContact O-N 2.85Å; P315-E319 VanDerWaalsContact O-N 3.13Å; V316-E319 PolarHBondContact O-N 3.28Å; E319-F321 PolarHBondContact O-N 2.95Å; E319-L322 PolarHBondContact O-N 3.31Å; E319-K323 WeakPolarHBondContact O-CB 3.41Å; E319-K323 PolarHBondContact O-N 3Å
320Q97.5Very high96.6Very high44 Ų4456.3 Ų56.321%0.20627%0.274CS..Hα-helixtrans-65.2-39.5177.9-63.8-53.5-44.200112.1W304 V316 G317 F324 F412 L421W304-Q320 HydrophobicContact CH2-CG 4.4Å; W304-Q320 HydrophobicContact CZ3-CG 4.33Å; V316-Q320 HydrophobicContact CG1-CG 4.38Å; V316-Q320 WeakPolarHBondContact O-CG 3.22Å; V316-Q320 PolarHBondContact O-N 3.37Å; G317-Q320 PolarHBondContact O-N 2.73Å; Q320-F324 PolarHBondContact O-N 3.01Å; Q320-F412 HydrophobicContact CB-CE2 4.39Å; Q320-F412 HydrophobicContact CB-CZ 4.17Å; Q320-L421 HydrophobicContact CB-CD1 4.26Å; Q320-L421 HydrophobicContact CG-CD1 3.77Å
321F98.2Very high96.5Very high0 Ų056.2 Ų56.20%028%0.275CS..Hα-helixtrans-66.6-42.3175.6-176.2-143.2000111.8M308 L312 G317 R318 E319 F324 L325 L334 Y409 F412M308-F321 HydrophobicContact CG-CE1 4.47Å; M308-F321 HydrophobicContact SD-CE1 4.26Å; L312-F321 HydrophobicContact CD2-CD1 4.43Å; G317-F321 WeakPolarHBondContact O-CB 3.28Å; G317-F321 PolarHBondContact O-N 3.28Å; R318-F321 PolarHBondContact O-N 2.93Å; E319-F321 PolarHBondContact O-N 2.95Å; F321-F324 HydrophobicContact CD2-CD1 4.23Å; F321-F324 HydrophobicContact CE2-CD1 4.27Å; F321-F324 WeakPolarHBondContact O-CB 3.47Å; F321-F324 PolarHBondContact O-N 3.24Å; F321-L325 HydrophobicContact CD2-CD1 4.43Å; F321-L325 HydrophobicContact CD2-CG 4.23Å; F321-L325 HydrophobicContact CE1-CD1 4.18Å; F321-L325 HydrophobicContact CE2-CD1 4.07Å; F321-L325 HydrophobicContact CE2-CD2 3.88Å; F321-L325 HydrophobicContact CE2-CG 3.93Å; F321-L325 HydrophobicContact CZ-CD1 3.93Å; F321-L325 HydrophobicContact CZ-CD2 4.21Å; F321-L325 HydrophobicContact CZ-CG 4.28Å; F321-L325 WeakPolarHBondContact O-CG 3.43Å; F321-L325 PolarHBondContact O-N 3.22Å; F321-L334 HydrophobicContact CD1-CD2 3.79Å; F321-L334 HydrophobicContact CE1-CD2 4.28Å; F321-L334 HydrophobicContact CG-CD2 4.36Å; F321-Y409 HydrophobicContact CD1-CD2 4.13Å; F321-Y409 HydrophobicContact CD1-CE2 4.5Å; F321-Y409 HydrophobicContact CD2-CD2 4.21Å; F321-Y409 AromaticContact CE1-CD2 3.91Å; F321-Y409 HydrophobicContact CE1-CD2 3.91Å; F321-Y409 HydrophobicContact CE2-CD2 4Å; F321-Y409 HydrophobicContact CG-CD2 4.29Å; F321-Y409 AromaticContact CZ-CD2 3.85Å; F321-Y409 HydrophobicContact CZ-CD2 3.85Å; F321-F412 HydrophobicContact CB-CD1 4.42Å; F321-F412 HydrophobicContact CB-CE1 4.25Å; F321-F412 HydrophobicContact CB-CZ 4.29Å; F321-F412 HydrophobicContact CD2-CB 3.7Å; F321-F412 AromaticContact CD2-CD1 3.88Å; F321-F412 HydrophobicContact CD2-CD1 3.88Å; F321-F412 HydrophobicContact CD2-CD2 4.06Å; F321-F412 AromaticContact CD2-CG 3.6Å; F321-F412 HydrophobicContact CD2-CG 3.6Å; F321-F412 HydrophobicContact CE2-CB 3.8Å; F321-F412 HydrophobicContact CE2-CG 4.22Å; F321-F412 HydrophobicContact CG-CD1 4.37Å; F321-F412 HydrophobicContact CG-CG 4.46Å
322L98.1Very high96.5Very high39 Ų3958.3 Ų58.320%0.20429%0.285CS..Hα-helixtrans-60.5-47.4175.4-179.162.5000111.6R318 E319 F324 L325 E326 L334 R335R318-L322 WeakPolarHBondContact O-CB 3.48Å; R318-L322 PolarHBondContact O-N 3.38Å; E319-L322 PolarHBondContact O-N 3.31Å; L322-F324 VanDerWaalsContact C-N 3.27Å; L322-F324 PolarHBondContact O-N 3.25Å; L322-L325 PolarHBondContact O-N 3.36Å; L322-E326 WeakPolarHBondContact O-CG 3.48Å; L322-E326 PolarHBondContact O-N 3.2Å; L322-L334 HydrophobicContact CB-CD2 3.81Å; L322-L334 HydrophobicContact CD1-CB 4.44Å; L322-L334 HydrophobicContact CD1-CD2 4.03Å; L322-L334 HydrophobicContact CD1-CG 4.4Å; L322-R335 HydrophobicContact CD1-CG 4.06Å
323K97.3Very high96.4Very high133 Ų13358.7 Ų58.758%0.57829%0.287SS*.Hα-helixtrans-58.5-39177.6-174.6178.2-179.8-179.20112.2E319 E326 S327E319-K323 WeakPolarHBondContact O-CB 3.41Å; E319-K323 PolarHBondContact O-N 3Å; K323-E326 PolarHBondContact O-N 3.01Å; K323-S327 PolarHBondContact O-N 2.99Å; K323-S327 VanDerWaalsContact O-N 3.14Å
324F97.7Very high96.4Very high19 Ų1952.4 Ų52.48%0.08326%0.259CS..Hα-helixtrans-62.1-47.7172.9168.4-100000111.7Q320 F321 L322 E326 S327 E328 R411 F412Q320-F324 PolarHBondContact O-N 3.01Å; F321-F324 HydrophobicContact CD2-CD1 4.23Å; F321-F324 HydrophobicContact CE2-CD1 4.27Å; F321-F324 WeakPolarHBondContact O-CB 3.47Å; F321-F324 PolarHBondContact O-N 3.24Å; L322-F324 VanDerWaalsContact C-N 3.27Å; L322-F324 PolarHBondContact O-N 3.25Å; F324-E326 VanDerWaalsContact C-N 3.32Å; F324-E326 PolarHBondContact O-N 3.33Å; F324-S327 WeakPolarHBondContact O-CB 3.47Å; F324-S327 PolarHBondContact O-N 3.47Å; F324-S327 VanDerWaalsContact O-N 3.15Å; F324-S327 PolarHBondContact O-OG 3.28Å; F324-E328 HydrophobicContact CE2-CG 4.32Å; F324-E328 HydrophobicContact CZ-CG 4.2Å; F324-E328 WeakPolarHBondContact CZ-OE1 2.98Å; F324-E328 PolarHBondContact O-N 2.74Å; F324-R411 HydrophobicContact CE1-CB 4.45Å; F324-R411 HydrophobicContact CZ-CB 4.11Å; F324-F412 HydrophobicContact CB-CD2 3.64Å; F324-F412 HydrophobicContact CB-CE2 4.14Å; F324-F412 HydrophobicContact CD1-CB 3.67Å; F324-F412 AromaticContact CD1-CD2 3.93Å; F324-F412 HydrophobicContact CD1-CD2 3.93Å; F324-F412 HydrophobicContact CD1-CG 4.24Å; F324-F412 HydrophobicContact CD2-CD2 4.32Å; F324-F412 HydrophobicContact CE1-CB 3.79Å; F324-F412 HydrophobicContact CG-CB 4.24Å; F324-F412 AromaticContact CG-CD2 3.69Å; F324-F412 HydrophobicContact CG-CD2 3.69Å; F324-F412 HydrophobicContact CG-CG 4.43Å; F324-F412 HydrophobicContact CZ-CB 4.44Å
325L96.9Very high96.5Very high0 Ų055 Ų550%027%0.268CS..Hα-helixtrans-64.6-35.2178.7-63.6174.9000112.8F321 L322 S327 E328 F329 S330 L334F321-L325 HydrophobicContact CD2-CD1 4.43Å; F321-L325 HydrophobicContact CD2-CG 4.23Å; F321-L325 HydrophobicContact CE1-CD1 4.18Å; F321-L325 HydrophobicContact CE2-CD1 4.07Å; F321-L325 HydrophobicContact CE2-CD2 3.88Å; F321-L325 HydrophobicContact CE2-CG 3.93Å; F321-L325 HydrophobicContact CZ-CD1 3.93Å; F321-L325 HydrophobicContact CZ-CD2 4.21Å; F321-L325 HydrophobicContact CZ-CG 4.28Å; F321-L325 WeakPolarHBondContact O-CG 3.43Å; F321-L325 PolarHBondContact O-N 3.22Å; L322-L325 PolarHBondContact O-N 3.36Å; L325-S327 VanDerWaalsContact C-N 3.32Å; L325-E328 CarbonylContact O-C 3.24Å; L325-E328 PolarHBondContact O-N 3.18Å; L325-F329 PolarHBondContact O-N 3.22Å; L325-S330 PolarHBondContact O-N 2.91Å; L325-L334 HydrophobicContact CD1-CB 3.55Å; L325-L334 HydrophobicContact CD1-CD2 3.89Å; L325-L334 HydrophobicContact CD1-CG 4.37Å
326E96.5Very high96.6Very high100 Ų10050.7 Ų50.747%0.46724%0.24SC..Hα-helixtrans-63-39.1173.9-72.7174168.400111.7L322 K323 F324 E328 F329L322-E326 WeakPolarHBondContact O-CG 3.48Å; L322-E326 PolarHBondContact O-N 3.2Å; K323-E326 PolarHBondContact O-N 3.01Å; F324-E326 VanDerWaalsContact C-N 3.32Å; F324-E326 PolarHBondContact O-N 3.33Å; E326-E328 PolarHBondContact O-N 3.47Å; E326-F329 PolarHBondContact O-N 3.21Å; E326-F329 VanDerWaalsContact O-N 3.1Å
327S94.7Very high96.6Very high83 Ų8351.5 Ų51.558%0.5824%0.242SC*.Hα-helixtrans-66.1-24175.277.70000113.5K323 F324 L325K323-S327 PolarHBondContact O-N 2.99Å; K323-S327 VanDerWaalsContact O-N 3.14Å; F324-S327 WeakPolarHBondContact O-CB 3.47Å; F324-S327 PolarHBondContact O-N 3.47Å; F324-S327 VanDerWaalsContact O-N 3.15Å; F324-S327 PolarHBondContact O-OG 3.28Å; L325-S327 VanDerWaalsContact C-N 3.32Å
328E93.8Very high96.6Very high72 Ų7253.2 Ų53.234%0.33625%0.251SS..THydrogen-bonded Turntrans-98.88.1174.5-64.7-165.2157.200113.2F324 L325 E326 S330 R411F324-E328 HydrophobicContact CE2-CG 4.32Å; F324-E328 HydrophobicContact CZ-CG 4.2Å; F324-E328 WeakPolarHBondContact CZ-OE1 2.98Å; F324-E328 PolarHBondContact O-N 2.74Å; L325-E328 CarbonylContact O-C 3.24Å; L325-E328 PolarHBondContact O-N 3.18Å; E326-E328 PolarHBondContact O-N 3.47Å; E328-S330 VanDerWaalsContact C-N 3.25Å; E328-S330 PolarHBondContact O-N 2.88Å; E328-R411 IonicContact OE1-NH1 3.97Å; E328-R411 PolarHBondContact OE1-NH1 2.85Å; E328-R411 IonicContact OE2-CZ 3.69Å; E328-R411 IonicContact OE2-NH1 3.78Å; E328-R411 PolarHBondContact OE2-NH1 3.16Å; E328-R411 IonicContact OE2-NH2 3.01Å
329F90.3Very high96.6Very high186 Ų18649.3 Ų49.382%0.81624%0.237SC*.THydrogen-bonded Turntrans52.339.6-176.9-54.6-86.3000113.8L325 E326L325-F329 PolarHBondContact O-N 3.22Å; E326-F329 PolarHBondContact O-N 3.21Å; E326-F329 VanDerWaalsContact O-N 3.1Å
330S93.1Very high96.7Very high19 Ų1943.5 Ų43.513%0.13321%0.21CC..  trans-133.425.9-177.759.80000113.7L325 E328 E332L325-S330 PolarHBondContact O-N 2.91Å; E328-S330 VanDerWaalsContact C-N 3.25Å; E328-S330 PolarHBondContact O-N 2.88Å; S330-E332 VanDerWaalsContact C-N 3.32Å; S330-E332 VanDerWaalsContact CA-OE2 3.22Å; S330-E332 WeakPolarHBondContact CA-OE2 3.37Å; S330-E332 PolarHBondContact O-N 2.87Å
331S96.3Very high96.7Very high11 Ų1143.5 Ų43.58%0.07721%0.21CC..THydrogen-bonded Turntrans-76-15.7-174.970.10000114.6N333 L334 R335S331-N333 PolarHBondContact O-N 2.5Å; S331-L334 PolarHBondContact O-N 3.03Å; S331-R335 WeakPolarHBondContact O-CG 3.38Å; S331-R335 PolarHBondContact O-N 3.22Å; S331-R335 PolarHBondContact OG-NE 3.27Å; S331-R335 VanDerWaalsContact OG-NE 3.08Å; S331-R335 PolarHBondContact OG-NH2 2.72Å; S331-R335 VanDerWaalsContact OG-NH2 3.11Å
332E97Very high96.7Very high44 Ų4446.1 Ų46.121%0.20622%0.224CC..Hα-helixtrans-56.4-36.6-179.865.9-75.2173.400112.6S330 R335 F336 I371S330-E332 VanDerWaalsContact C-N 3.32Å; S330-E332 VanDerWaalsContact CA-OE2 3.22Å; S330-E332 WeakPolarHBondContact CA-OE2 3.37Å; S330-E332 PolarHBondContact O-N 2.87Å; E332-R335 PolarHBondContact O-N 3.38Å; E332-F336 VanDerWaalsContact O-CB 3.32Å; E332-F336 WeakPolarHBondContact O-CB 3.3Å; E332-F336 PolarHBondContact O-N 3.13Å; E332-I371 HydrophobicContact CB-CG2 4.01Å; E332-I371 HydrophobicContact CG-CG2 3.83Å
333N96.3Very high96.7Very high15 Ų1544.2 Ų44.28%0.0821%0.214CC..Hα-helixtrans-63.3-47.5179.3-70.8-30.2000112S331 W337 I400 M404S331-N333 PolarHBondContact O-N 2.5Å; N333-W337 WeakPolarHBondContact O-CB 3.47Å; N333-W337 PolarHBondContact O-N 3.17Å; N333-I400 HydrophobicContact CB-CG2 3.8Å; N333-I400 VanDerWaalsContact O-CG2 3.3Å; N333-I400 WeakPolarHBondContact O-CG2 3.48Å; N333-M404 HydrophobicContact CB-CG 4.05Å; N333-M404 HydrophobicContact CB-SD 3.87Å
334L97.6Very high96.7Very high0 Ų040.1 Ų40.10%020%0.196CC..Hα-helixtrans-71.6-39.3178.7-179.157.9000111.2L312 F321 L322 L325 S331 W337 L338 M404L312-L334 HydrophobicContact CD2-CD1 3.53Å; F321-L334 HydrophobicContact CD1-CD2 3.79Å; F321-L334 HydrophobicContact CE1-CD2 4.28Å; F321-L334 HydrophobicContact CG-CD2 4.36Å; L322-L334 HydrophobicContact CB-CD2 3.81Å; L322-L334 HydrophobicContact CD1-CB 4.44Å; L322-L334 HydrophobicContact CD1-CD2 4.03Å; L322-L334 HydrophobicContact CD1-CG 4.4Å; L325-L334 HydrophobicContact CD1-CB 3.55Å; L325-L334 HydrophobicContact CD1-CD2 3.89Å; L325-L334 HydrophobicContact CD1-CG 4.37Å; S331-L334 PolarHBondContact O-N 3.03Å; L334-W337 HydrophobicContact CD1-CE3 4.35Å; L334-W337 PolarHBondContact O-N 3.24Å; L334-L338 HydrophobicContact CD1-CD1 4.21Å; L334-L338 HydrophobicContact CD1-CG 4.06Å; L334-L338 HydrophobicContact CG-CD1 3.99Å; L334-L338 HydrophobicContact CG-CG 4.31Å; L334-L338 WeakPolarHBondContact O-CB 3.24Å; L334-L338 VanDerWaalsContact O-CG 3.25Å; L334-L338 WeakPolarHBondContact O-CG 3.44Å; L334-L338 PolarHBondContact O-N 3Å; L334-M404 HydrophobicContact CB-SD 3.93Å; L334-M404 HydrophobicContact CD1-CE 4.4Å; L334-M404 HydrophobicContact CD1-SD 4.4Å
335R98.2Very high96.7Very high76 Ų7646 Ų4629%0.28722%0.222SC..Hα-helixtrans-60.7-45.4176.3-74.2-173.7-76.7130.3-4.6111.7L322 S331 E332 L338 A339 F362 S369L322-R335 HydrophobicContact CD1-CG 4.06Å; S331-R335 WeakPolarHBondContact O-CG 3.38Å; S331-R335 PolarHBondContact O-N 3.22Å; S331-R335 PolarHBondContact OG-NE 3.27Å; S331-R335 VanDerWaalsContact OG-NE 3.08Å; S331-R335 PolarHBondContact OG-NH2 2.72Å; S331-R335 VanDerWaalsContact OG-NH2 3.11Å; E332-R335 PolarHBondContact O-N 3.38Å; R335-L338 PolarHBondContact O-N 3.01Å; R335-A339 WeakPolarHBondContact O-CB 3.43Å; R335-A339 PolarHBondContact O-N 2.66Å; R335-F362 HydrophobicContact CB-CE1 3.91Å; R335-F362 HydrophobicContact CB-CZ 3.96Å; R335-S369 PolarHBondContact NH1-OG 2.98Å
336F98.4Very high96.7Very high0 Ų050 Ų500%024%0.237CC..Hα-helixtrans-58.6-50172.7171.8-104000111.4E332 L338 A339 V340 I358 F362 L363 I371 F393 A396 I400E332-F336 VanDerWaalsContact O-CB 3.32Å; E332-F336 WeakPolarHBondContact O-CB 3.3Å; E332-F336 PolarHBondContact O-N 3.13Å; F336-L338 VanDerWaalsContact C-N 3.3Å; F336-L338 PolarHBondContact O-N 2.84Å; F336-A339 WeakPolarHBondContact O-CB 3.41Å; F336-A339 PolarHBondContact O-N 3.1Å; F336-A339 VanDerWaalsContact O-N 3.1Å; F336-V340 HydrophobicContact CD2-CG2 4.27Å; F336-V340 HydrophobicContact CE1-CG2 4.08Å; F336-V340 HydrophobicContact CE2-CG2 3.81Å; F336-V340 HydrophobicContact CZ-CG2 3.71Å; F336-V340 WeakPolarHBondContact O-CG2 3.44Å; F336-V340 PolarHBondContact O-N 3.36Å; F336-I358 HydrophobicContact CD2-CG2 4.02Å; F336-I358 HydrophobicContact CE2-CG2 3.83Å; F336-F362 HydrophobicContact CB-CB 4.46Å; F336-F362 HydrophobicContact CB-CD1 3.71Å; F336-F362 HydrophobicContact CB-CD2 4.29Å; F336-F362 HydrophobicContact CB-CE1 3.97Å; F336-F362 HydrophobicContact CB-CG 3.9Å; F336-F362 HydrophobicContact CB-CZ 4.38Å; F336-F362 HydrophobicContact CD2-CB 3.68Å; F336-F362 HydrophobicContact CD2-CD1 4.4Å; F336-F362 AromaticContact CD2-CD2 3.84Å; F336-F362 HydrophobicContact CD2-CD2 3.84Å; F336-F362 AromaticContact CD2-CG 3.72Å; F336-F362 HydrophobicContact CD2-CG 3.72Å; F336-F362 HydrophobicContact CE2-CB 4.4Å; F336-F362 HydrophobicContact CG-CB 4.43Å; F336-F362 HydrophobicContact CG-CG 4.28Å; F336-L363 HydrophobicContact CE2-CD1 4.05Å; F336-L363 HydrophobicContact CZ-CD1 4.37Å; F336-I371 HydrophobicContact CB-CD1 4.27Å; F336-I371 HydrophobicContact CB-CG2 4.04Å; F336-I371 HydrophobicContact CD1-CD1 3.53Å; F336-I371 HydrophobicContact CD2-CD1 3.87Å; F336-I371 HydrophobicContact CE1-CD1 3.7Å; F336-I371 HydrophobicContact CE2-CD1 4.04Å; F336-I371 HydrophobicContact CG-CD1 3.6Å; F336-I371 HydrophobicContact CZ-CD1 3.95Å; F336-F393 HydrophobicContact CE2-CD1 4.21Å; F336-F393 HydrophobicContact CZ-CB 4.22Å; F336-F393 HydrophobicContact CZ-CD1 4.25Å; F336-F393 HydrophobicContact CZ-CG 4.44Å; F336-A396 HydrophobicContact CE1-CB 4.11Å; F336-A396 HydrophobicContact CZ-CB 3.81Å; F336-I400 HydrophobicContact CD1-CB 4.28Å; F336-I400 HydrophobicContact CD1-CG1 3.93Å; F336-I400 HydrophobicContact CD1-CG2 4.34Å; F336-I400 HydrophobicContact CE1-CG1 4.06Å
337W98.1Very high96.8Very high29 Ų2948.3 Ų48.311%0.1124%0.235CC..Hα-helixtrans-58.8-42.7-179-174.490.3000112.1L312 N333 L334 V340 E341 Q397 Y401 M404L312-W337 HydrophobicContact CB-CH2 4.29Å; L312-W337 HydrophobicContact CB-CZ3 4.32Å; L312-W337 HydrophobicContact CD1-CE3 4.3Å; L312-W337 HydrophobicContact CD1-CH2 3.81Å; L312-W337 HydrophobicContact CD1-CZ2 4.08Å; L312-W337 HydrophobicContact CD1-CZ3 3.92Å; L312-W337 HydrophobicContact CD2-CE3 4.38Å; L312-W337 HydrophobicContact CD2-CZ3 4.11Å; L312-W337 HydrophobicContact CG-CZ3 4.35Å; N333-W337 WeakPolarHBondContact O-CB 3.47Å; N333-W337 PolarHBondContact O-N 3.17Å; L334-W337 HydrophobicContact CD1-CE3 4.35Å; L334-W337 PolarHBondContact O-N 3.24Å; W337-V340 PolarHBondContact O-N 3.04Å; W337-E341 HydrophobicContact CD2-CG 4.13Å; W337-E341 HydrophobicContact CE3-CG 3.9Å; W337-E341 HydrophobicContact CH2-CG 3.5Å; W337-E341 VanDerWaalsContact CH2-CG 3.5Å; W337-E341 HydrophobicContact CZ2-CG 3.73Å; W337-E341 HydrophobicContact CZ3-CG 3.59Å; W337-E341 PolarHBondContact O-N 3.26Å; W337-Q397 HydrophobicContact CG-CG 4.19Å; W337-Q397 PolarHBondContact O-NE2 3.48Å; W337-Y401 HydrophobicContact CZ2-CD2 4.23Å; W337-Y401 AromaticContact NE1-CD2 3.58Å; W337-M404 HydrophobicContact CB-CE 3.94Å; W337-M404 HydrophobicContact CG-CE 4.06Å
338L97.9Very high96.9Very high36 Ų3650 Ų5019%0.18824%0.236CC..Hα-helixtrans-66.9-37.1175.9-68.8172.3000112.4R318 L334 R335 F336 V340 E341 D342R318-L338 HydrophobicContact CG-CD1 4.18Å; R318-L338 HydrophobicContact CG-CD2 4.27Å; L334-L338 HydrophobicContact CD1-CD1 4.21Å; L334-L338 HydrophobicContact CD1-CG 4.06Å; L334-L338 HydrophobicContact CG-CD1 3.99Å; L334-L338 HydrophobicContact CG-CG 4.31Å; L334-L338 WeakPolarHBondContact O-CB 3.24Å; L334-L338 VanDerWaalsContact O-CG 3.25Å; L334-L338 WeakPolarHBondContact O-CG 3.44Å; L334-L338 PolarHBondContact O-N 3Å; R335-L338 PolarHBondContact O-N 3.01Å; F336-L338 VanDerWaalsContact C-N 3.3Å; F336-L338 PolarHBondContact O-N 2.84Å; L338-V340 VanDerWaalsContact C-N 3.34Å; L338-E341 WeakPolarHBondContact O-CB 3.28Å; L338-E341 PolarHBondContact O-N 3.02Å; L338-D342 WeakPolarHBondContact O-CB 3.41Å; L338-D342 PolarHBondContact O-N 2.66Å
339A98.3Very high97.1Very high7 Ų754.7 Ų54.76%0.05826%0.255CS..Hα-helixtrans-64.8-38.9176.300000111.9R335 F336 D342 L343 I358 F362R335-A339 WeakPolarHBondContact O-CB 3.43Å; R335-A339 PolarHBondContact O-N 2.66Å; F336-A339 WeakPolarHBondContact O-CB 3.41Å; F336-A339 PolarHBondContact O-N 3.1Å; F336-A339 VanDerWaalsContact O-N 3.1Å; A339-D342 PolarHBondContact O-N 3.15Å; A339-L343 PolarHBondContact O-N 2.79Å; A339-I358 HydrophobicContact CB-CD1 4.05Å; A339-I358 HydrophobicContact CB-CG1 3.99Å; A339-I358 WeakPolarHBondContact O-CD1 3.38Å; A339-F362 HydrophobicContact CB-CE2 4.05Å
340V98.3Very high97.5Very high1 Ų148.6 Ų48.61%0.00623%0.23CC..Hα-helixtrans-69.4-38.7173.9-179.60000111.4F336 W337 L338 D342 L343 K344 I358 F393 Q397F336-V340 HydrophobicContact CD2-CG2 4.27Å; F336-V340 HydrophobicContact CE1-CG2 4.08Å; F336-V340 HydrophobicContact CE2-CG2 3.81Å; F336-V340 HydrophobicContact CZ-CG2 3.71Å; F336-V340 WeakPolarHBondContact O-CG2 3.44Å; F336-V340 PolarHBondContact O-N 3.36Å; W337-V340 PolarHBondContact O-N 3.04Å; L338-V340 VanDerWaalsContact C-N 3.34Å; V340-D342 VanDerWaalsContact C-N 3.3Å; V340-D342 PolarHBondContact O-N 2.87Å; V340-L343 WeakPolarHBondContact O-CB 3.46Å; V340-L343 PolarHBondContact O-N 2.99Å; V340-K344 WeakPolarHBondContact O-CG 3.26Å; V340-K344 PolarHBondContact O-N 3.29Å; V340-K344 VanDerWaalsContact O-N 3.08Å; V340-I358 HydrophobicContact CG2-CG2 4.45Å; V340-F393 HydrophobicContact CB-CB 4.47Å; V340-F393 HydrophobicContact CG1-CB 3.9Å; V340-F393 HydrophobicContact CG2-CB 3.64Å; V340-F393 HydrophobicContact CG2-CD2 4.14Å; V340-F393 HydrophobicContact CG2-CG 4.02Å; V340-Q397 HydrophobicContact CB-CB 4.41Å; V340-Q397 HydrophobicContact CB-CG 4.14Å; V340-Q397 HydrophobicContact CG1-CB 4.01Å; V340-Q397 VanDerWaalsContact CG1-CD 3.46Å; V340-Q397 HydrophobicContact CG1-CG 4.01Å
341E97.8Very high97.7Very high44 Ų4447.8 Ų47.821%0.20622%0.224CC..Hα-helixtrans-61.7-37.1172.7-84.9-55.4114.600113.2W337 L338 K345 Q397W337-E341 HydrophobicContact CD2-CG 4.13Å; W337-E341 HydrophobicContact CE3-CG 3.9Å; W337-E341 HydrophobicContact CH2-CG 3.5Å; W337-E341 VanDerWaalsContact CH2-CG 3.5Å; W337-E341 HydrophobicContact CZ2-CG 3.73Å; W337-E341 HydrophobicContact CZ3-CG 3.59Å; W337-E341 PolarHBondContact O-N 3.26Å; L338-E341 WeakPolarHBondContact O-CB 3.28Å; L338-E341 PolarHBondContact O-N 3.02Å; E341-K345 WeakPolarHBondContact O-CD 3.16Å; E341-K345 WeakPolarHBondContact O-CG 3.34Å; E341-K345 PolarHBondContact O-NZ 3.3Å; E341-K345 IonicContact OE2-NZ 2.69Å; E341-K345 PolarHBondContact OE2-NZ 3.31Å; E341-Q397 PolarHBondContact OE1-NE2 2.89Å
342D97.8Very high97.8Very high54 Ų5450.2 Ų50.229%0.28924%0.239SC..Hα-helixtrans-67-47.9172.8177.761.6000110.7L338 A339 V340 K344 K345 R346 R354L338-D342 WeakPolarHBondContact O-CB 3.41Å; L338-D342 PolarHBondContact O-N 2.66Å; A339-D342 PolarHBondContact O-N 3.15Å; V340-D342 VanDerWaalsContact C-N 3.3Å; V340-D342 PolarHBondContact O-N 2.87Å; D342-K344 VanDerWaalsContact C-N 3.26Å; D342-K344 PolarHBondContact O-N 3.44Å; D342-K345 CarbonylContact O-C 3.49Å; D342-K345 WeakPolarHBondContact O-CA 3.5Å; D342-K345 WeakPolarHBondContact O-CB 2.91Å; D342-K345 PolarHBondContact O-N 3.47Å; D342-R346 WeakPolarHBondContact O-CG 3.4Å; D342-R346 PolarHBondContact O-N 3.27Å; D342-R346 VanDerWaalsContact O-N 3.12Å; D342-R346 IonicContact OD1-NE 3.95Å; D342-R346 PolarHBondContact OD1-NE 3.46Å; D342-R346 IonicContact OD1-NH2 2.85Å; D342-R346 IonicContact OD2-CZ 2.85Å; D342-R346 VanDerWaalsContact OD2-CZ 3.3Å; D342-R346 IonicContact OD2-NE 3.14Å; D342-R346 PolarHBondContact OD2-NE 3.17Å; D342-R346 IonicContact OD2-NH2 3.48Å; D342-R346 PolarHBondContact OD2-NH2 2.73Å; D342-R354 IonicContact OD2-NE 3.3Å
343L98.4Very high97.9Very high0 Ų051.2 Ų51.20%025%0.251CS..Hα-helixtrans-50.9-45.1177.2175.269.7000112.2A339 V340 K345 R346 V351 R354 V355 I358 F393A339-L343 PolarHBondContact O-N 2.79Å; V340-L343 WeakPolarHBondContact O-CB 3.46Å; V340-L343 PolarHBondContact O-N 2.99Å; L343-K345 PolarHBondContact O-N 3.32Å; L343-R346 PolarHBondContact O-N 3.48Å; L343-V351 HydrophobicContact CD1-CB 4.36Å; L343-V351 HydrophobicContact CD1-CG1 4.1Å; L343-V351 HydrophobicContact CD1-CG2 4.37Å; L343-R354 HydrophobicContact CB-CG 4.31Å; L343-R354 HydrophobicContact CD1-CB 3.7Å; L343-R354 HydrophobicContact CD1-CG 3.65Å; L343-V355 HydrophobicContact CD1-CG2 3.9Å; L343-V355 HydrophobicContact CD2-CG2 3.74Å; L343-V355 HydrophobicContact CG-CG2 4.46Å; L343-I358 HydrophobicContact CB-CD1 3.9Å; L343-I358 HydrophobicContact CD2-CD1 4.23Å; L343-I358 HydrophobicContact CG-CD1 4.49Å; L343-F393 HydrophobicContact CD2-CD2 3.62Å; L343-F393 HydrophobicContact CD2-CE2 3.89Å
344K97.9Very high98Very high46 Ų4652.5 Ų52.520%0.226%0.255CS..Hα-helixtrans-61.1-25.1178.8-73.6174.5175.7-175.10113.1V340 D342 R390 E394 Q397V340-K344 WeakPolarHBondContact O-CG 3.26Å; V340-K344 PolarHBondContact O-N 3.29Å; V340-K344 VanDerWaalsContact O-N 3.08Å; D342-K344 VanDerWaalsContact C-N 3.26Å; D342-K344 PolarHBondContact O-N 3.44Å; K344-R390 WeakPolarHBondContact CG-O 3.41Å; K344-R390 PolarHBondContact O-NH1 3.39Å; K344-E394 WeakPolarHBondContact CE-OE2 3.45Å; K344-E394 VanDerWaalsContact NZ-CD 3.29Å; K344-E394 IonicContact NZ-OE1 2.84Å; K344-E394 PolarHBondContact NZ-OE1 3.33Å; K344-E394 IonicContact NZ-OE2 3.76Å; K344-E394 PolarHBondContact NZ-OE2 2.92Å; K344-Q397 VanDerWaalsContact CE-OE1 3.32Å
345K97.4Very high98Very high143 Ų14352.5 Ų52.562%0.62226%0.255SS*.Hα-helixtrans-97.5-11.6-177.7-65.6165.4-170.3130.70113.5E341 D342 L343E341-K345 WeakPolarHBondContact O-CD 3.16Å; E341-K345 WeakPolarHBondContact O-CG 3.34Å; E341-K345 PolarHBondContact O-NZ 3.3Å; E341-K345 IonicContact OE2-NZ 2.69Å; E341-K345 PolarHBondContact OE2-NZ 3.31Å; D342-K345 CarbonylContact O-C 3.49Å; D342-K345 WeakPolarHBondContact O-CA 3.5Å; D342-K345 WeakPolarHBondContact O-CB 2.91Å; D342-K345 PolarHBondContact O-N 3.47Å; L343-K345 PolarHBondContact O-N 3.32Å
346R97.1Very high98Very high83 Ų8352.6 Ų52.631%0.31326%0.259SS..SBendtrans-64.6153.2179.6-70.1-75.8175.7157.81.2113.2D342 L343 E350 V351 R390D342-R346 WeakPolarHBondContact O-CG 3.4Å; D342-R346 PolarHBondContact O-N 3.27Å; D342-R346 VanDerWaalsContact O-N 3.12Å; D342-R346 IonicContact OD1-NE 3.95Å; D342-R346 PolarHBondContact OD1-NE 3.46Å; D342-R346 IonicContact OD1-NH2 2.85Å; D342-R346 IonicContact OD2-CZ 2.85Å; D342-R346 VanDerWaalsContact OD2-CZ 3.3Å; D342-R346 IonicContact OD2-NE 3.14Å; D342-R346 PolarHBondContact OD2-NE 3.17Å; D342-R346 IonicContact OD2-NH2 3.48Å; D342-R346 PolarHBondContact OD2-NH2 2.73Å; L343-R346 PolarHBondContact O-N 3.48Å; R346-E350 HydrophobicContact CB-CB 4.35Å; R346-E350 VanDerWaalsContact CD-OE2 3.31Å; R346-E350 WeakPolarHBondContact CD-OE2 3.38Å; R346-E350 IonicContact NH1-OE2 3.8Å; R346-E350 PolarHBondContact NH1-OE2 3.43Å; R346-E350 VanDerWaalsContact NH1-OE2 3.14Å; R346-V351 HydrophobicContact CB-CG2 4.43Å; R346-R390 PolarHBondContact O-NH1 2.91Å; R346-R390 PolarHBondContact O-NH2 3.23Å
347P97.9Very high98Very high66 Ų6657.1 Ų57.143%0.42928%0.28SS..  trans-56.7144.6164.4-24.135.4000111.5K349 E350P347-K349 HydrophobicContact CB-CG 4.08Å; P347-K349 PolarHBondContact O-N 3.31Å; P347-E350 PolarHBondContact O-N 3.44Å
348I97.9Very high98Very high119 Ų11955.8 Ų55.861%0.6128%0.275SS*.G310 helixtrans-57.8-31.2-173.5-167.267.2000113E350 V351 R390I348-E350 VanDerWaalsContact C-N 3.28Å; I348-E350 PolarHBondContact O-N 2.93Å; I348-V351 HydrophobicContact CD1-CG2 4.33Å; I348-V351 WeakPolarHBondContact O-CB 3.32Å; I348-V351 PolarHBondContact O-N 2.91Å; I348-R390 HydrophobicContact CD1-CG 4.43Å
349K97.9Very high98Very high169 Ų16955.4 Ų55.474%0.73527%0.271SS*.G310 helixtrans-64.2-26.5177.164.7174.9-173.8173.90114.2P347P347-K349 HydrophobicContact CB-CG 4.08Å; P347-K349 PolarHBondContact O-N 3.31Å
350E97.9Very high98Very high59 Ų5960.4 Ų60.428%0.27629%0.293SS..G310 helixtrans-92.3-14.1-179.1-74.3168-138.300112.4R346 P347 I348 S353 R354R346-E350 HydrophobicContact CB-CB 4.35Å; R346-E350 VanDerWaalsContact CD-OE2 3.31Å; R346-E350 WeakPolarHBondContact CD-OE2 3.38Å; R346-E350 IonicContact NH1-OE2 3.8Å; R346-E350 PolarHBondContact NH1-OE2 3.43Å; R346-E350 VanDerWaalsContact NH1-OE2 3.14Å; P347-E350 PolarHBondContact O-N 3.44Å; I348-E350 VanDerWaalsContact C-N 3.28Å; I348-E350 PolarHBondContact O-N 2.93Å; E350-S353 PolarHBondContact O-OG 2.71Å; E350-S353 VanDerWaalsContact O-OG 3.07Å; E350-R354 VanDerWaalsContact O-CB 3.29Å; E350-R354 WeakPolarHBondContact O-CB 3.46Å; E350-R354 PolarHBondContact O-N 2.97Å
351V98.3Very high98Very high1 Ų163.6 Ų63.61%0.00631%0.308CS..Hα-helixtrans-59-46.2-176.4168.80000112.2L343 R346 I348 S353 R354 V355 R390L343-V351 HydrophobicContact CD1-CB 4.36Å; L343-V351 HydrophobicContact CD1-CG1 4.1Å; L343-V351 HydrophobicContact CD1-CG2 4.37Å; R346-V351 HydrophobicContact CB-CG2 4.43Å; I348-V351 HydrophobicContact CD1-CG2 4.33Å; I348-V351 WeakPolarHBondContact O-CB 3.32Å; I348-V351 PolarHBondContact O-N 2.91Å; V351-S353 PolarHBondContact O-N 3.01Å; V351-R354 PolarHBondContact O-N 3.45Å; V351-V355 HydrophobicContact CG1-CG2 4.26Å; V351-V355 WeakPolarHBondContact O-CB 3.5Å; V351-V355 VanDerWaalsContact O-CG2 3.29Å; V351-V355 WeakPolarHBondContact O-CG2 3.44Å; V351-V355 PolarHBondContact O-N 2.9Å; V351-R390 HydrophobicContact CG2-CG 4.05Å
352P98.1Very high98Very high63 Ų6361.6 Ų61.641%0.40930%0.298SS..Hα-helixtrans-62.2-43.8-177.4-24.535.6000113.9Q356 P388P352-Q356 PolarHBondContact O-N 3.24Å; P352-P388 HydrophobicContact CB-CB 4.21Å; P352-P388 HydrophobicContact CB-CG 4.46Å
353S98.1Very high98Very high65 Ų6559.4 Ų59.446%0.45529%0.287SS..Hα-helixtrans-68.1-43.5177.758.20000111.2E350 V351 V355 Q356 E357E350-S353 PolarHBondContact O-OG 2.71Å; E350-S353 VanDerWaalsContact O-OG 3.07Å; V351-S353 PolarHBondContact O-N 3.01Å; S353-V355 VanDerWaalsContact C-N 3.29Å; S353-V355 PolarHBondContact O-N 3.35Å; S353-Q356 PolarHBondContact O-N 2.91Å; S353-Q356 VanDerWaalsContact O-N 3.09Å; S353-E357 PolarHBondContact O-N 3.45Å
354R98.3Very high97.8Very high42 Ų4259.8 Ų59.816%0.15829%0.29CS..Hα-helixtrans-63.6-34.6179.5-173.458.6177.2154.28.2112.6D342 L343 E350 V351 Q356 E357 I358D342-R354 IonicContact OD2-NE 3.3Å; L343-R354 HydrophobicContact CB-CG 4.31Å; L343-R354 HydrophobicContact CD1-CB 3.7Å; L343-R354 HydrophobicContact CD1-CG 3.65Å; E350-R354 VanDerWaalsContact O-CB 3.29Å; E350-R354 WeakPolarHBondContact O-CB 3.46Å; E350-R354 PolarHBondContact O-N 2.97Å; V351-R354 PolarHBondContact O-N 3.45Å; R354-Q356 VanDerWaalsContact C-N 3.34Å; R354-E357 VanDerWaalsContact CD-OE2 3.22Å; R354-E357 WeakPolarHBondContact CD-OE2 3.47Å; R354-E357 IonicContact CZ-OE2 2.95Å; R354-E357 IonicContact NE-OE2 3.67Å; R354-E357 IonicContact NH1-OE2 2.8Å; R354-E357 PolarHBondContact NH1-OE2 3.46Å; R354-E357 PolarHBondContact O-N 3.23Å; R354-I358 HydrophobicContact CG-CD1 4.05Å; R354-I358 VanDerWaalsContact O-CG1 3.29Å; R354-I358 WeakPolarHBondContact O-CG1 3.49Å; R354-I358 PolarHBondContact O-N 3.01Å; R354-I358 VanDerWaalsContact O-N 3.08Å
355V98.6Very high97.6Very high0 Ų063.4 Ų63.40%032%0.318CS..Hα-helixtrans-60.6-44.6173.2164.60000111.2L343 V351 S353 I358 W359 V385 P388 T392 F393L343-V355 HydrophobicContact CD1-CG2 3.9Å; L343-V355 HydrophobicContact CD2-CG2 3.74Å; L343-V355 HydrophobicContact CG-CG2 4.46Å; V351-V355 HydrophobicContact CG1-CG2 4.26Å; V351-V355 WeakPolarHBondContact O-CB 3.5Å; V351-V355 VanDerWaalsContact O-CG2 3.29Å; V351-V355 WeakPolarHBondContact O-CG2 3.44Å; V351-V355 PolarHBondContact O-N 2.9Å; S353-V355 VanDerWaalsContact C-N 3.29Å; S353-V355 PolarHBondContact O-N 3.35Å; V355-I358 PolarHBondContact O-N 2.96Å; V355-W359 WeakPolarHBondContact O-CB 3.36Å; V355-W359 PolarHBondContact O-N 2.99Å; V355-V385 HydrophobicContact CG1-CG1 4.25Å; V355-V385 HydrophobicContact CG1-CG2 4.13Å; V355-P388 HydrophobicContact CB-CB 4.01Å; V355-P388 HydrophobicContact CG1-CB 4.03Å; V355-P388 HydrophobicContact CG1-CG 4.31Å; V355-P388 HydrophobicContact CG2-CB 4.05Å; V355-T392 HydrophobicContact CG1-CG2 3.92Å; V355-F393 HydrophobicContact CB-CE2 4.2Å; V355-F393 HydrophobicContact CG1-CE2 4Å; V355-F393 HydrophobicContact CG1-CZ 3.97Å; V355-F393 HydrophobicContact CG2-CE2 4.04Å; V355-F393 WeakPolarHBondContact O-CZ 3.45Å
356Q97.9Very high97.4Very high78 Ų7860.7 Ų60.736%0.36433%0.33SS..Hα-helixtrans-66.7-41.1179.5-64.1-57.9-35.900111.8P352 S353 R354 I358 W359 Q360P352-Q356 PolarHBondContact O-N 3.24Å; S353-Q356 PolarHBondContact O-N 2.91Å; S353-Q356 VanDerWaalsContact O-N 3.09Å; R354-Q356 VanDerWaalsContact C-N 3.34Å; Q356-I358 PolarHBondContact O-N 3.18Å; Q356-W359 PolarHBondContact O-N 2.84Å; Q356-Q360 VanDerWaalsContact O-CG 3.29Å; Q356-Q360 WeakPolarHBondContact O-CG 3.39Å; Q356-Q360 PolarHBondContact O-N 2.87Å
357E98.3Very high97.3Very high95 Ų9557.3 Ų57.344%0.44432%0.32SS..Hα-helixtrans-57.1-50.5174.7-69.1165.6-159.500111.9S353 R354 W359 Q360 E361S353-E357 PolarHBondContact O-N 3.45Å; R354-E357 VanDerWaalsContact CD-OE2 3.22Å; R354-E357 WeakPolarHBondContact CD-OE2 3.47Å; R354-E357 IonicContact CZ-OE2 2.95Å; R354-E357 IonicContact NE-OE2 3.67Å; R354-E357 IonicContact NH1-OE2 2.8Å; R354-E357 PolarHBondContact NH1-OE2 3.46Å; R354-E357 PolarHBondContact O-N 3.23Å; E357-W359 VanDerWaalsContact C-N 3.31Å; E357-W359 PolarHBondContact O-N 2.99Å; E357-Q360 PolarHBondContact O-N 3.18Å; E357-E361 WeakPolarHBondContact O-CB 3.31Å; E357-E361 PolarHBondContact O-N 3.09Å
358I98.5Very high97.2Very high0 Ų059.4 Ų59.40%033%0.334CS..Hα-helixtrans-62.3-41.5179.5-66.4170.4000110.7F336 A339 V340 L343 R354 V355 Q356 E361 F362 F393F336-I358 HydrophobicContact CD2-CG2 4.02Å; F336-I358 HydrophobicContact CE2-CG2 3.83Å; A339-I358 HydrophobicContact CB-CD1 4.05Å; A339-I358 HydrophobicContact CB-CG1 3.99Å; A339-I358 WeakPolarHBondContact O-CD1 3.38Å; V340-I358 HydrophobicContact CG2-CG2 4.45Å; L343-I358 HydrophobicContact CB-CD1 3.9Å; L343-I358 HydrophobicContact CD2-CD1 4.23Å; L343-I358 HydrophobicContact CG-CD1 4.49Å; R354-I358 HydrophobicContact CG-CD1 4.05Å; R354-I358 VanDerWaalsContact O-CG1 3.29Å; R354-I358 WeakPolarHBondContact O-CG1 3.49Å; R354-I358 PolarHBondContact O-N 3.01Å; R354-I358 VanDerWaalsContact O-N 3.08Å; V355-I358 PolarHBondContact O-N 2.96Å; Q356-I358 PolarHBondContact O-N 3.18Å; I358-E361 PolarHBondContact O-N 2.94Å; I358-F362 HydrophobicContact CG2-CD2 4.06Å; I358-F362 WeakPolarHBondContact O-CD2 3.24Å; I358-F362 PolarHBondContact O-N 3.2Å; I358-F362 VanDerWaalsContact O-N 3.11Å; I358-F393 HydrophobicContact CB-CE2 3.89Å; I358-F393 HydrophobicContact CB-CZ 3.94Å; I358-F393 HydrophobicContact CD1-CE2 4.27Å; I358-F393 HydrophobicContact CG2-CD2 4.18Å; I358-F393 HydrophobicContact CG2-CE1 4.13Å; I358-F393 HydrophobicContact CG2-CE2 3.73Å; I358-F393 HydrophobicContact CG2-CZ 3.72Å
359W97.9Very high97.1Very high29 Ų2954.7 Ų54.711%0.1131%0.312CS..Hα-helixtrans-59.7-49.3176.4174.6-97.7000111.5V355 Q356 E357 E361 L363 A364 Y378 T381 T382 V385 F393V355-W359 WeakPolarHBondContact O-CB 3.36Å; V355-W359 PolarHBondContact O-N 2.99Å; Q356-W359 PolarHBondContact O-N 2.84Å; E357-W359 VanDerWaalsContact C-N 3.31Å; E357-W359 PolarHBondContact O-N 2.99Å; W359-E361 VanDerWaalsContact C-N 3.35Å; W359-E361 PolarHBondContact O-N 2.94Å; W359-L363 HydrophobicContact CD2-CB 4.16Å; W359-L363 HydrophobicContact CE3-CB 3.59Å; W359-L363 HydrophobicContact CE3-CD1 4.01Å; W359-L363 HydrophobicContact CE3-CG 4.46Å; W359-L363 HydrophobicContact CH2-CB 4.37Å; W359-L363 HydrophobicContact CZ3-CB 3.73Å; W359-L363 HydrophobicContact CZ3-CD1 4.15Å; W359-L363 CarbonylContact O-C 3.55Å; W359-L363 PolarHBondContact O-N 3.46Å; W359-A364 PolarHBondContact O-N 3.33Å; W359-Y378 HydrophobicContact CH2-CE1 4.41Å; W359-Y378 HydrophobicContact CH2-CE2 4.23Å; W359-Y378 AromaticContact CH2-CZ 3.89Å; W359-T381 HydrophobicContact CE3-CG2 4.37Å; W359-T381 HydrophobicContact CZ3-CG2 4.15Å; W359-T382 HydrophobicContact CH2-CG2 4.21Å; W359-T382 WeakPolarHBondContact CH2-OG1 3.49Å; W359-V385 HydrophobicContact CB-CG1 4.44Å; W359-V385 HydrophobicContact CD2-CG1 4.33Å; W359-V385 HydrophobicContact CD2-CG2 4.24Å; W359-V385 HydrophobicContact CE3-CG2 3.76Å; W359-V385 HydrophobicContact CG-CG1 4.23Å; W359-V385 HydrophobicContact CZ3-CG2 4.38Å; W359-F393 HydrophobicContact CB-CZ 4.37Å; W359-F393 HydrophobicContact CE3-CE1 4.47Å
360Q97.9Very high96.9Very high111 Ų11149.7 Ų49.752%0.51930%0.302SS..Hα-helixtrans-66.1-35.3-179-65.8-60.4-2900112.9Q356 E357 A367 P368Q356-Q360 VanDerWaalsContact O-CG 3.29Å; Q356-Q360 WeakPolarHBondContact O-CG 3.39Å; Q356-Q360 PolarHBondContact O-N 2.87Å; E357-Q360 PolarHBondContact O-N 3.18Å; Q360-A367 WeakPolarHBondContact O-CB 3.5Å; Q360-P368 WeakPolarHBondContact O-CD 3.27Å
361E98.1Very high96.8Very high68 Ų6847.7 Ų47.732%0.31829%0.293SS..Hα-helixtrans-74.9-36.9-177.8-172.9178.3172.800113.3E357 I358 W359 A367 P368 S369E357-E361 WeakPolarHBondContact O-CB 3.31Å; E357-E361 PolarHBondContact O-N 3.09Å; I358-E361 PolarHBondContact O-N 2.94Å; W359-E361 VanDerWaalsContact C-N 3.35Å; W359-E361 PolarHBondContact O-N 2.94Å; E361-A367 WeakPolarHBondContact O-CB 3.44Å; E361-P368 WeakPolarHBondContact O-CD 3.48Å; E361-S369 CarbonylContact O-C 3.49Å; E361-S369 WeakPolarHBondContact O-CA 3.42Å; E361-S369 PolarHBondContact O-N 3.34Å
362F97.9Very high96.4Very high2 Ų253.8 Ų53.81%0.00933%0.325CS..Hα-helixtrans-120.4-22.9-167.5-61-77.2000115.9R335 F336 A339 I358 S369 A370 I371R335-F362 HydrophobicContact CB-CE1 3.91Å; R335-F362 HydrophobicContact CB-CZ 3.96Å; F336-F362 HydrophobicContact CB-CB 4.46Å; F336-F362 HydrophobicContact CB-CD1 3.71Å; F336-F362 HydrophobicContact CB-CD2 4.29Å; F336-F362 HydrophobicContact CB-CE1 3.97Å; F336-F362 HydrophobicContact CB-CG 3.9Å; F336-F362 HydrophobicContact CB-CZ 4.38Å; F336-F362 HydrophobicContact CD2-CB 3.68Å; F336-F362 HydrophobicContact CD2-CD1 4.4Å; F336-F362 AromaticContact CD2-CD2 3.84Å; F336-F362 HydrophobicContact CD2-CD2 3.84Å; F336-F362 AromaticContact CD2-CG 3.72Å; F336-F362 HydrophobicContact CD2-CG 3.72Å; F336-F362 HydrophobicContact CE2-CB 4.4Å; F336-F362 HydrophobicContact CG-CB 4.43Å; F336-F362 HydrophobicContact CG-CG 4.28Å; A339-F362 HydrophobicContact CB-CE2 4.05Å; I358-F362 HydrophobicContact CG2-CD2 4.06Å; I358-F362 WeakPolarHBondContact O-CD2 3.24Å; I358-F362 PolarHBondContact O-N 3.2Å; I358-F362 VanDerWaalsContact O-N 3.11Å; F362-S369 VanDerWaalsContact CD1-O 3.28Å; F362-S369 WeakPolarHBondContact CD1-O 3.35Å; F362-A370 WeakPolarHBondContact O-CA 3.45Å; F362-I371 HydrophobicContact CB-CG1 4.37Å; F362-I371 HydrophobicContact CB-CG2 4.46Å; F362-I371 HydrophobicContact CD1-CG2 4.11Å; F362-I371 WeakPolarHBondContact O-CG1 3.35Å; F362-I371 PolarHBondContact O-N 3.02Å
363L96.9Very high96.1Very high9 Ų951.8 Ų51.85%0.04731%0.311CS..THydrogen-bonded Turntrans-131.4-21.5-166.9-68.9174.3000115.5F336 W359 I371 L373 Y378 T381 F393F336-L363 HydrophobicContact CE2-CD1 4.05Å; F336-L363 HydrophobicContact CZ-CD1 4.37Å; W359-L363 HydrophobicContact CD2-CB 4.16Å; W359-L363 HydrophobicContact CE3-CB 3.59Å; W359-L363 HydrophobicContact CE3-CD1 4.01Å; W359-L363 HydrophobicContact CE3-CG 4.46Å; W359-L363 HydrophobicContact CH2-CB 4.37Å; W359-L363 HydrophobicContact CZ3-CB 3.73Å; W359-L363 HydrophobicContact CZ3-CD1 4.15Å; W359-L363 CarbonylContact O-C 3.55Å; W359-L363 PolarHBondContact O-N 3.46Å; L363-I371 HydrophobicContact CD2-CD1 3.79Å; L363-I371 HydrophobicContact CD2-CG1 3.55Å; L363-I371 HydrophobicContact CG-CD1 4.4Å; L363-I371 HydrophobicContact CG-CG1 4.32Å; L363-L373 HydrophobicContact CD1-CD1 4.32Å; L363-L373 HydrophobicContact CD2-CD1 3.39Å; L363-L373 HydrophobicContact CD2-CG 4.09Å; L363-Y378 HydrophobicContact CB-CE2 4.37Å; L363-Y378 HydrophobicContact CD2-CD2 4.28Å; L363-Y378 HydrophobicContact CD2-CE2 4.32Å; L363-Y378 VanDerWaalsContact O-CE2 3.27Å; L363-Y378 WeakPolarHBondContact O-CE2 3.41Å; L363-Y378 PolarHBondContact O-OH 3.39Å; L363-T381 HydrophobicContact CD1-CG2 3.88Å; L363-F393 HydrophobicContact CD1-CD1 4.02Å; L363-F393 HydrophobicContact CD1-CE1 3.91Å
364A95.1Very high95.8Very high8 Ų851.5 Ų51.57%0.06630%0.304CS..SBendtrans-61.7151.4176.300000111.2W359 G366 A367W359-A364 PolarHBondContact O-N 3.33Å; A364-G366 PolarHBondContact O-N 2.83Å; A364-G366 VanDerWaalsContact O-N 3.17Å; A364-A367 WeakPolarHBondContact O-CB 3.25Å; A364-A367 PolarHBondContact O-N 3.02Å
365P93.4Very high95.5Very high121 Ų12153.5 Ų53.579%0.78633%0.325SS*.THydrogen-bonded Turntrans-56.3122.3172-23.934.2000110.9
366G93.1Very high95.3Very high86 Ų8661.1 Ų61.189%0.88736%0.358SS*.THydrogen-bonded Turntrans78.218-175.700000114.7A364A364-G366 PolarHBondContact O-N 2.83Å; A364-G366 VanDerWaalsContact O-N 3.17Å
367A95.8Very high95.1Very high12 Ų1258.2 Ų58.210%0.09935%0.346CS..  trans-53.9137.2176.600000112.2Q360 E361 A364 S369 A370Q360-A367 WeakPolarHBondContact O-CB 3.5Å; E361-A367 WeakPolarHBondContact O-CB 3.44Å; A364-A367 WeakPolarHBondContact O-CB 3.25Å; A364-A367 PolarHBondContact O-N 3.02Å; A367-S369 PolarHBondContact O-N 3.24Å; A367-A370 HydrophobicContact CB-CB 4.13Å; A367-A370 PolarHBondContact O-N 3.46Å
368P95Very high94.9Very high110 Ų11056.9 Ų56.971%0.71434%0.338SS*.THydrogen-bonded Turntrans-66.7-23.7-175.827.2-35.8000113.5Q360 E361Q360-P368 WeakPolarHBondContact O-CD 3.27Å; E361-P368 WeakPolarHBondContact O-CD 3.48Å
369S95.6Very high94.7Very high21 Ų2161.3 Ų61.315%0.14736%0.361CS..THydrogen-bonded Turntrans-128.749.6174.9-68.40000110.2R335 E361 F362 A367 I371R335-S369 PolarHBondContact NH1-OG 2.98Å; E361-S369 CarbonylContact O-C 3.49Å; E361-S369 WeakPolarHBondContact O-CA 3.42Å; E361-S369 PolarHBondContact O-N 3.34Å; F362-S369 VanDerWaalsContact CD1-O 3.28Å; F362-S369 WeakPolarHBondContact CD1-O 3.35Å; A367-S369 PolarHBondContact O-N 3.24Å; S369-I371 PolarHBondContact O-N 3.07Å
370A94.6Very high94.6Very high63 Ų6364.3 Ų64.352%0.52138%0.375SS..  trans-54.7122.4-177.300000112.5F362 A367F362-A370 WeakPolarHBondContact O-CA 3.45Å; A367-A370 HydrophobicContact CB-CB 4.13Å; A367-A370 PolarHBondContact O-N 3.46Å
371I95.3Very high94.5Very high17 Ų1759 Ų599%0.08735%0.35CS..  trans-92.2152.6175.459.4165.9000111.3E332 F336 F362 L363 S369 L373 I400E332-I371 HydrophobicContact CB-CG2 4.01Å; E332-I371 HydrophobicContact CG-CG2 3.83Å; F336-I371 HydrophobicContact CB-CD1 4.27Å; F336-I371 HydrophobicContact CB-CG2 4.04Å; F336-I371 HydrophobicContact CD1-CD1 3.53Å; F336-I371 HydrophobicContact CD2-CD1 3.87Å; F336-I371 HydrophobicContact CE1-CD1 3.7Å; F336-I371 HydrophobicContact CE2-CD1 4.04Å; F336-I371 HydrophobicContact CG-CD1 3.6Å; F336-I371 HydrophobicContact CZ-CD1 3.95Å; F362-I371 HydrophobicContact CB-CG1 4.37Å; F362-I371 HydrophobicContact CB-CG2 4.46Å; F362-I371 HydrophobicContact CD1-CG2 4.11Å; F362-I371 WeakPolarHBondContact O-CG1 3.35Å; F362-I371 PolarHBondContact O-N 3.02Å; L363-I371 HydrophobicContact CD2-CD1 3.79Å; L363-I371 HydrophobicContact CD2-CG1 3.55Å; L363-I371 HydrophobicContact CG-CD1 4.4Å; L363-I371 HydrophobicContact CG-CG1 4.32Å; S369-I371 PolarHBondContact O-N 3.07Å; I371-L373 HydrophobicContact CD1-CD1 4.11Å; I371-L373 HydrophobicContact CD1-CD2 4.13Å; I371-L373 HydrophobicContact CD1-CG 3.9Å; I371-L373 HydrophobicContact CG1-CG 4.24Å; I371-I400 HydrophobicContact CB-CD1 4.32Å; I371-I400 HydrophobicContact CD1-CD1 3.92Å; I371-I400 HydrophobicContact CD1-CG1 3.82Å
372N89.3Confident94.4Very high130 Ų13058 Ų5870%0.69535%0.349SS*.  trans-87.3114174.6-169.16.5000110.3
373L92.2Very high94.3Very high21 Ų2163.5 Ų63.511%0.1138%0.375CS..  trans-120.1148.9174.7-73.6-175.7000110.9L363 I371 A396 H399 I400L363-L373 HydrophobicContact CD1-CD1 4.32Å; L363-L373 HydrophobicContact CD2-CD1 3.39Å; L363-L373 HydrophobicContact CD2-CG 4.09Å; I371-L373 HydrophobicContact CD1-CD1 4.11Å; I371-L373 HydrophobicContact CD1-CD2 4.13Å; I371-L373 HydrophobicContact CD1-CG 3.9Å; I371-L373 HydrophobicContact CG1-CG 4.24Å; L373-A396 HydrophobicContact CD1-CB 3.61Å; L373-A396 HydrophobicContact CD2-CB 4.25Å; L373-H399 HydrophobicContact CD2-CB 4.14Å; L373-I400 HydrophobicContact CD2-CD1 3.73Å; L373-I400 HydrophobicContact CD2-CG1 3.73Å
374D91.9Very high94.2Very high58 Ų5865.3 Ų65.331%0.3138%0.384SS..  trans-66.5147.5168.675.3-86.2000111.3K376 S377 Y378 H399D374-K376 PolarHBondContact O-N 3.39Å; D374-K376 VanDerWaalsContact O-N 3.11Å; D374-K376 WeakPolarHBondContact OD2-CB 3.35Å; D374-K376 PolarHBondContact OD2-N 3.14Å; D374-S377 PolarHBondContact O-N 3.15Å; D374-S377 VanDerWaalsContact O-N 3.08Å; D374-S377 VanDerWaalsContact OD1-CB 3.29Å; D374-S377 WeakPolarHBondContact OD1-CB 3.43Å; D374-S377 PolarHBondContact OD1-OG 3.33Å; D374-S377 PolarHBondContact OD2-N 3.24Å; D374-S377 VanDerWaalsContact OD2-N 3.15Å; D374-S377 PolarHBondContact OD2-OG 3.42Å; D374-Y378 PolarHBondContact O-N 2.75Å; D374-H399 IonicContact OD1-CE1 2.71Å; D374-H399 PolarHBondContact OD1-CE1 2.86Å; D374-H399 VanDerWaalsContact OD1-CE1 3.25Å; D374-H399 IonicContact OD1-CG 2.76Å; D374-H399 IonicContact OD1-ND1 3.19Å; D374-H399 PolarHBondContact OD1-ND1 2.75Å
375S92.1Very high94.3Very high84 Ų8465.6 Ų65.659%0.58739%0.385SS*.Hα-helixtrans-51.7-39.4-176.2178.50000112.8Y378 D379S375-Y378 PolarHBondContact O-N 2.73Å; S375-D379 WeakPolarHBondContact O-CB 3.4Å; S375-D379 PolarHBondContact O-N 2.92Å; S375-D379 VanDerWaalsContact O-OD2 3.09Å; S375-D379 PolarHBondContact OG-OD2 2.97Å
376K93.6Very high94.4Very high161 Ų16166.5 Ų66.570%0.738%0.377SS*.Hα-helixtrans-66.7-44.1-177.8-176.7-171.6174.3-168.10111.4D374 Y378 K380D374-K376 PolarHBondContact O-N 3.39Å; D374-K376 VanDerWaalsContact O-N 3.11Å; D374-K376 WeakPolarHBondContact OD2-CB 3.35Å; D374-K376 PolarHBondContact OD2-N 3.14Å; K376-Y378 VanDerWaalsContact C-N 3.35Å; K376-K380 WeakPolarHBondContact O-CB 3.45Å; K376-K380 PolarHBondContact O-N 2.85Å; K376-K380 VanDerWaalsContact O-N 3.17Å
377S93.6Very high94.5Very high16 Ų1670.6 Ų70.611%0.11237%0.373CS..Hα-helixtrans-66.5-38.3176.8-590000111.6D374 T381D374-S377 PolarHBondContact O-N 3.15Å; D374-S377 VanDerWaalsContact O-N 3.08Å; D374-S377 VanDerWaalsContact OD1-CB 3.29Å; D374-S377 WeakPolarHBondContact OD1-CB 3.43Å; D374-S377 PolarHBondContact OD1-OG 3.33Å; D374-S377 PolarHBondContact OD2-N 3.24Å; D374-S377 VanDerWaalsContact OD2-N 3.15Å; D374-S377 PolarHBondContact OD2-OG 3.42Å; S377-T381 WeakPolarHBondContact O-CB 3.25Å; S377-T381 PolarHBondContact O-N 3.35Å; S377-T381 PolarHBondContact O-OG1 2.87Å
378Y94.9Very high94.5Very high68 Ų6872.3 Ų72.327%0.26738%0.383SS..Hα-helixtrans-63.2-49.5176-170.2-92.3000112.2W359 L363 D374 S375 K376 K380 T381 T382W359-Y378 HydrophobicContact CH2-CE1 4.41Å; W359-Y378 HydrophobicContact CH2-CE2 4.23Å; W359-Y378 AromaticContact CH2-CZ 3.89Å; L363-Y378 HydrophobicContact CB-CE2 4.37Å; L363-Y378 HydrophobicContact CD2-CD2 4.28Å; L363-Y378 HydrophobicContact CD2-CE2 4.32Å; L363-Y378 VanDerWaalsContact O-CE2 3.27Å; L363-Y378 WeakPolarHBondContact O-CE2 3.41Å; L363-Y378 PolarHBondContact O-OH 3.39Å; D374-Y378 PolarHBondContact O-N 2.75Å; S375-Y378 PolarHBondContact O-N 2.73Å; K376-Y378 VanDerWaalsContact C-N 3.35Å; Y378-K380 VanDerWaalsContact C-N 3.35Å; Y378-K380 PolarHBondContact O-N 3.23Å; Y378-T381 PolarHBondContact O-N 3.11Å; Y378-T382 WeakPolarHBondContact O-CB 3.1Å; Y378-T382 PolarHBondContact O-N 3.47Å; Y378-T382 PolarHBondContact O-OG1 3.3Å
379D94.7Very high94.5Very high92 Ų9268.1 Ų68.149%0.49236%0.36SS..Hα-helixtrans-61.8-43.3-179.1-67.2-28.2000111.7S375 T382 Q383S375-D379 WeakPolarHBondContact O-CB 3.4Å; S375-D379 PolarHBondContact O-N 2.92Å; S375-D379 VanDerWaalsContact O-OD2 3.09Å; S375-D379 PolarHBondContact OG-OD2 2.97Å; D379-T382 WeakPolarHBondContact O-CB 3.15Å; D379-T382 PolarHBondContact O-N 3.5Å; D379-Q383 PolarHBondContact O-N 3.48Å; D379-Q383 VanDerWaalsContact O-N 3.14Å
380K95.3Very high94.6Very high93 Ų9370.3 Ų70.340%0.40437%0.365SS..Hα-helixtrans-64.8-44.5177.8-169.4173.5177.8-157.60111.4K376 Y378 T382 Q383 N384 D395K376-K380 WeakPolarHBondContact O-CB 3.45Å; K376-K380 PolarHBondContact O-N 2.85Å; K376-K380 VanDerWaalsContact O-N 3.17Å; Y378-K380 VanDerWaalsContact C-N 3.35Å; Y378-K380 PolarHBondContact O-N 3.23Å; K380-T382 VanDerWaalsContact C-N 3.32Å; K380-T382 PolarHBondContact O-N 2.88Å; K380-Q383 PolarHBondContact O-N 2.94Å; K380-N384 PolarHBondContact O-N 2.9Å; K380-N384 PolarHBondContact O-ND2 3.33Å; K380-N384 PolarHBondContact O-OD1 3.32Å; K380-D395 HydrophobicContact CD-CB 4.45Å; K380-D395 VanDerWaalsContact CD-OD2 3.31Å; K380-D395 WeakPolarHBondContact CD-OD2 3.29Å; K380-D395 WeakPolarHBondContact CE-OD2 3.25Å; K380-D395 IonicContact NZ-OD1 3.52Å; K380-D395 PolarHBondContact NZ-OD1 3.35Å; K380-D395 IonicContact NZ-OD2 3.3Å; K380-D395 PolarHBondContact NZ-OD2 3.31Å
381T96Very high94.8Very high0 Ų075 Ų750%037%0.37CS..Hα-helixtrans-62.2-41.7176.9-56.20000111.1W359 L363 S377 Y378 Q383 N384 V385 F393W359-T381 HydrophobicContact CE3-CG2 4.37Å; W359-T381 HydrophobicContact CZ3-CG2 4.15Å; L363-T381 HydrophobicContact CD1-CG2 3.88Å; S377-T381 WeakPolarHBondContact O-CB 3.25Å; S377-T381 PolarHBondContact O-N 3.35Å; S377-T381 PolarHBondContact O-OG1 2.87Å; Y378-T381 PolarHBondContact O-N 3.11Å; T381-Q383 VanDerWaalsContact C-N 3.29Å; T381-Q383 PolarHBondContact O-N 2.89Å; T381-N384 PolarHBondContact O-N 3.13Å; T381-N384 VanDerWaalsContact O-N 3.13Å; T381-V385 HydrophobicContact CG2-CG2 4.23Å; T381-V385 VanDerWaalsContact O-CG2 3.26Å; T381-V385 WeakPolarHBondContact O-CG2 3.39Å; T381-V385 PolarHBondContact O-N 3.04Å; T381-F393 HydrophobicContact CG2-CD1 3.46Å; T381-F393 VanDerWaalsContact CG2-CD1 3.46Å; T381-F393 HydrophobicContact CG2-CE1 3.7Å
382T95.8Very high94.9Very high47 Ų4774.5 Ų74.529%0.28837%0.368SS..Hα-helixtrans-58.4-39.9176.9-55.50000112.2W359 Y378 D379 K380W359-T382 HydrophobicContact CH2-CG2 4.21Å; W359-T382 WeakPolarHBondContact CH2-OG1 3.49Å; Y378-T382 WeakPolarHBondContact O-CB 3.1Å; Y378-T382 PolarHBondContact O-N 3.47Å; Y378-T382 PolarHBondContact O-OG1 3.3Å; D379-T382 WeakPolarHBondContact O-CB 3.15Å; D379-T382 PolarHBondContact O-N 3.5Å; K380-T382 VanDerWaalsContact C-N 3.32Å; K380-T382 PolarHBondContact O-N 2.88Å
383Q95.9Very high95.3Very high117 Ų11768.3 Ų68.355%0.54734%0.335SS..Hα-helixtrans-69.6-46.1173.7-66-71.9-4.200111.4D379 K380 T381 V385 K386D379-Q383 PolarHBondContact O-N 3.48Å; D379-Q383 VanDerWaalsContact O-N 3.14Å; K380-Q383 PolarHBondContact O-N 2.94Å; T381-Q383 VanDerWaalsContact C-N 3.29Å; T381-Q383 PolarHBondContact O-N 2.89Å; Q383-V385 PolarHBondContact O-N 3.05Å; Q383-K386 VanDerWaalsContact O-CB 3.3Å; Q383-K386 WeakPolarHBondContact O-CB 3.46Å; Q383-K386 PolarHBondContact O-N 3.45Å; Q383-K386 VanDerWaalsContact O-N 3.09Å
384N95.6Very high95.5Very high47 Ų4770.9 Ų70.925%0.25135%0.346SS..Hα-helixtrans-61.9-30.3-178.8-65.7-12.4000113.1K380 T381 K386 E387 T392K380-N384 PolarHBondContact O-N 2.9Å; K380-N384 PolarHBondContact O-ND2 3.33Å; K380-N384 PolarHBondContact O-OD1 3.32Å; T381-N384 PolarHBondContact O-N 3.13Å; T381-N384 VanDerWaalsContact O-N 3.13Å; N384-K386 PolarHBondContact O-N 3.15Å; N384-E387 CarbonylContact O-C 3.57Å; N384-E387 VanDerWaalsContact O-C 3.24Å; N384-E387 PolarHBondContact O-N 2.98Å; N384-T392 HydrophobicContact CB-CG2 3.87Å; N384-T392 WeakPolarHBondContact CB-O 3.32Å; N384-T392 PolarHBondContact ND2-O 2.94Å
385V96.2Very high95.7Very high13 Ų1370.4 Ų70.48%0.07934%0.343CS..THydrogen-bonded Turntrans-68.8-21.4178.7168.90000112.1V355 W359 T381 Q383 E387 P388 T392 F393V355-V385 HydrophobicContact CG1-CG1 4.25Å; V355-V385 HydrophobicContact CG1-CG2 4.13Å; W359-V385 HydrophobicContact CB-CG1 4.44Å; W359-V385 HydrophobicContact CD2-CG1 4.33Å; W359-V385 HydrophobicContact CD2-CG2 4.24Å; W359-V385 HydrophobicContact CE3-CG2 3.76Å; W359-V385 HydrophobicContact CG-CG1 4.23Å; W359-V385 HydrophobicContact CZ3-CG2 4.38Å; T381-V385 HydrophobicContact CG2-CG2 4.23Å; T381-V385 VanDerWaalsContact O-CG2 3.26Å; T381-V385 WeakPolarHBondContact O-CG2 3.39Å; T381-V385 PolarHBondContact O-N 3.04Å; Q383-V385 PolarHBondContact O-N 3.05Å; V385-E387 VanDerWaalsContact C-N 3.25Å; V385-E387 PolarHBondContact O-N 2.9Å; V385-P388 WeakPolarHBondContact O-CG 3.28Å; V385-T392 HydrophobicContact CB-CG2 4.36Å; V385-T392 HydrophobicContact CG2-CG2 3.53Å; V385-F393 HydrophobicContact CG2-CE1 4.04Å; V385-F393 HydrophobicContact CG2-CZ 4.17Å
386K95.3Very high95.9Very high141 Ų14166.4 Ų66.461%0.61332%0.316SS*.THydrogen-bonded Turntrans-66.2-30174.4-61176.9-177.9170.90112.3Q383 N384Q383-K386 VanDerWaalsContact O-CB 3.3Å; Q383-K386 WeakPolarHBondContact O-CB 3.46Å; Q383-K386 PolarHBondContact O-N 3.45Å; Q383-K386 VanDerWaalsContact O-N 3.09Å; N384-K386 PolarHBondContact O-N 3.15Å
387E95.1Very high96.1Very high171 Ų17159.1 Ų59.180%0.79928%0.284SS*.SBendtrans-124.481175-67.8-175.5179.700109.5N384 V385 G389N384-E387 CarbonylContact O-C 3.57Å; N384-E387 VanDerWaalsContact O-C 3.24Å; N384-E387 PolarHBondContact O-N 2.98Å; V385-E387 VanDerWaalsContact C-N 3.25Å; V385-E387 PolarHBondContact O-N 2.9Å; E387-G389 PolarHBondContact O-N 3.24Å
388P95.8Very high96.2Very high48 Ų4863.1 Ų63.131%0.31230%0.301SS..  trans-57.8132.9-172.7-2735.6000113.7P352 V355 V385P352-P388 HydrophobicContact CB-CB 4.21Å; P352-P388 HydrophobicContact CB-CG 4.46Å; V355-P388 HydrophobicContact CB-CB 4.01Å; V355-P388 HydrophobicContact CG1-CB 4.03Å; V355-P388 HydrophobicContact CG1-CG 4.31Å; V355-P388 HydrophobicContact CG2-CB 4.05Å; V385-P388 WeakPolarHBondContact O-CG 3.28Å
389G96Very high96.3Very high23 Ų2362.8 Ų62.824%0.23730%0.302CS..  trans-149.5171.8175.100000112.1E387 Y391 T392E387-G389 PolarHBondContact O-N 3.24Å; G389-Y391 PolarHBondContact O-N 2.66Å; G389-Y391 VanDerWaalsContact O-N 3.1Å; G389-T392 PolarHBondContact N-OG1 3.21Å; G389-T392 WeakPolarHBondContact O-CB 3.43Å; G389-T392 PolarHBondContact O-N 3.09Å; G389-T392 PolarHBondContact O-OG1 3Å; G389-T392 VanDerWaalsContact O-OG1 3.06Å
390R97.6Very high96.4Very high67 Ų6758.4 Ų58.425%0.25328%0.278SS..THydrogen-bonded Turntrans-60.1-24-179.1-68.7-179-178.3-81.6-9.1113.7K344 R346 I348 V351K344-R390 WeakPolarHBondContact CG-O 3.41Å; K344-R390 PolarHBondContact O-NH1 3.39Å; R346-R390 PolarHBondContact O-NH1 2.91Å; R346-R390 PolarHBondContact O-NH2 3.23Å; I348-R390 HydrophobicContact CD1-CG 4.43Å; V351-R390 HydrophobicContact CG2-CG 4.05Å
391Y97.7Very high96.4Very high162 Ų16255.8 Ų55.864%0.63527%0.266SS*.THydrogen-bonded Turntrans-109.915.6-175.5-53-72.5000112.5G389 F393 E394G389-Y391 PolarHBondContact O-N 2.66Å; G389-Y391 VanDerWaalsContact O-N 3.1Å; Y391-F393 PolarHBondContact O-N 2.86Å; Y391-E394 WeakPolarHBondContact O-CB 3.48Å; Y391-E394 PolarHBondContact O-N 2.94Å
392T97.9Very high96.4Very high5 Ų561.2 Ų61.23%0.03129%0.29CS..THydrogen-bonded Turntrans-54.8-38.3-179-73.60000112.6V355 N384 V385 G389V355-T392 HydrophobicContact CG1-CG2 3.92Å; N384-T392 HydrophobicContact CB-CG2 3.87Å; N384-T392 WeakPolarHBondContact CB-O 3.32Å; N384-T392 PolarHBondContact ND2-O 2.94Å; V385-T392 HydrophobicContact CB-CG2 4.36Å; V385-T392 HydrophobicContact CG2-CG2 3.53Å; G389-T392 PolarHBondContact N-OG1 3.21Å; G389-T392 WeakPolarHBondContact O-CB 3.43Å; G389-T392 PolarHBondContact O-N 3.09Å; G389-T392 PolarHBondContact O-OG1 3Å; G389-T392 VanDerWaalsContact O-OG1 3.06Å
393F98.2Very high96.4Very high1 Ų161.8 Ų61.80%0.00429%0.291CS..THydrogen-bonded Turntrans-10114.2-177.2-58.3-73.4000114.1F336 V340 L343 V355 I358 W359 L363 T381 V385 Y391 D395 A396 Q397F336-F393 HydrophobicContact CE2-CD1 4.21Å; F336-F393 HydrophobicContact CZ-CB 4.22Å; F336-F393 HydrophobicContact CZ-CD1 4.25Å; F336-F393 HydrophobicContact CZ-CG 4.44Å; V340-F393 HydrophobicContact CB-CB 4.47Å; V340-F393 HydrophobicContact CG1-CB 3.9Å; V340-F393 HydrophobicContact CG2-CB 3.64Å; V340-F393 HydrophobicContact CG2-CD2 4.14Å; V340-F393 HydrophobicContact CG2-CG 4.02Å; L343-F393 HydrophobicContact CD2-CD2 3.62Å; L343-F393 HydrophobicContact CD2-CE2 3.89Å; V355-F393 HydrophobicContact CB-CE2 4.2Å; V355-F393 HydrophobicContact CG1-CE2 4Å; V355-F393 HydrophobicContact CG1-CZ 3.97Å; V355-F393 HydrophobicContact CG2-CE2 4.04Å; V355-F393 WeakPolarHBondContact O-CZ 3.45Å; I358-F393 HydrophobicContact CB-CE2 3.89Å; I358-F393 HydrophobicContact CB-CZ 3.94Å; I358-F393 HydrophobicContact CD1-CE2 4.27Å; I358-F393 HydrophobicContact CG2-CD2 4.18Å; I358-F393 HydrophobicContact CG2-CE1 4.13Å; I358-F393 HydrophobicContact CG2-CE2 3.73Å; I358-F393 HydrophobicContact CG2-CZ 3.72Å; W359-F393 HydrophobicContact CB-CZ 4.37Å; W359-F393 HydrophobicContact CE3-CE1 4.47Å; L363-F393 HydrophobicContact CD1-CD1 4.02Å; L363-F393 HydrophobicContact CD1-CE1 3.91Å; T381-F393 HydrophobicContact CG2-CD1 3.46Å; T381-F393 VanDerWaalsContact CG2-CD1 3.46Å; T381-F393 HydrophobicContact CG2-CE1 3.7Å; V385-F393 HydrophobicContact CG2-CE1 4.04Å; V385-F393 HydrophobicContact CG2-CZ 4.17Å; Y391-F393 PolarHBondContact O-N 2.86Å; F393-D395 PolarHBondContact O-N 3.16Å; F393-A396 PolarHBondContact O-N 3.42Å; F393-Q397 VanDerWaalsContact O-CB 3.27Å; F393-Q397 WeakPolarHBondContact O-CB 3.25Å; F393-Q397 PolarHBondContact O-N 3.21Å
394E96.8Very high96.4Very high75 Ų7556.2 Ų56.235%0.3527%0.265SS..Hα-helixtrans-56.3-49-172.8-162.272.8-168.900112.4K344 Y391 Q397 E398K344-E394 WeakPolarHBondContact CE-OE2 3.45Å; K344-E394 VanDerWaalsContact NZ-CD 3.29Å; K344-E394 IonicContact NZ-OE1 2.84Å; K344-E394 PolarHBondContact NZ-OE1 3.33Å; K344-E394 IonicContact NZ-OE2 3.76Å; K344-E394 PolarHBondContact NZ-OE2 2.92Å; Y391-E394 WeakPolarHBondContact O-CB 3.48Å; Y391-E394 PolarHBondContact O-N 2.94Å; E394-Q397 PolarHBondContact O-N 3.45Å; E394-E398 WeakPolarHBondContact O-CB 3.49Å; E394-E398 PolarHBondContact O-N 3.45Å
395D95.3Very high96.5Very high47 Ų4757.4 Ų57.425%0.25127%0.268SS..Hα-helixtrans-64.4-42.9-179.7-60.4-97.3000112.1K380 F393 E398 H399K380-D395 HydrophobicContact CD-CB 4.45Å; K380-D395 VanDerWaalsContact CD-OD2 3.31Å; K380-D395 WeakPolarHBondContact CD-OD2 3.29Å; K380-D395 WeakPolarHBondContact CE-OD2 3.25Å; K380-D395 IonicContact NZ-OD1 3.52Å; K380-D395 PolarHBondContact NZ-OD1 3.35Å; K380-D395 IonicContact NZ-OD2 3.3Å; K380-D395 PolarHBondContact NZ-OD2 3.31Å; F393-D395 PolarHBondContact O-N 3.16Å; D395-E398 PolarHBondContact O-N 3.24Å; D395-H399 PolarHBondContact O-N 2.87Å
396A97.1Very high96.4Very high0 Ų060.2 Ų60.20%029%0.288CS..Hα-helixtrans-65.8-43.1177.200000111.8F336 L373 F393 H399 I400F336-A396 HydrophobicContact CE1-CB 4.11Å; F336-A396 HydrophobicContact CZ-CB 3.81Å; L373-A396 HydrophobicContact CD1-CB 3.61Å; L373-A396 HydrophobicContact CD2-CB 4.25Å; F393-A396 PolarHBondContact O-N 3.42Å; A396-H399 PolarHBondContact O-N 3.13Å; A396-I400 WeakPolarHBondContact O-CG1 3.19Å; A396-I400 PolarHBondContact O-N 3.03Å
397Q97.6Very high96.4Very high8 Ų856.7 Ų56.74%0.03728%0.276CS..Hα-helixtrans-64.3-41.6177.8-169.3-168.422.400111.2W337 V340 E341 K344 F393 E394 I400 Y401W337-Q397 HydrophobicContact CG-CG 4.19Å; W337-Q397 PolarHBondContact O-NE2 3.48Å; V340-Q397 HydrophobicContact CB-CB 4.41Å; V340-Q397 HydrophobicContact CB-CG 4.14Å; V340-Q397 HydrophobicContact CG1-CB 4.01Å; V340-Q397 VanDerWaalsContact CG1-CD 3.46Å; V340-Q397 HydrophobicContact CG1-CG 4.01Å; E341-Q397 PolarHBondContact OE1-NE2 2.89Å; K344-Q397 VanDerWaalsContact CE-OE1 3.32Å; F393-Q397 VanDerWaalsContact O-CB 3.27Å; F393-Q397 WeakPolarHBondContact O-CB 3.25Å; F393-Q397 PolarHBondContact O-N 3.21Å; E394-Q397 PolarHBondContact O-N 3.45Å; Q397-I400 PolarHBondContact O-N 3.35Å; Q397-Y401 VanDerWaalsContact O-CB 3.23Å; Q397-Y401 WeakPolarHBondContact O-CB 3.3Å; Q397-Y401 PolarHBondContact O-N 2.96Å
398E96.2Very high96.5Very high101 Ų10148.8 Ų48.847%0.47224%0.239SC..Hα-helixtrans-62.6-42.3176.2-172.5-177.7-177.800111.5E394 D395 K402E394-E398 WeakPolarHBondContact O-CB 3.49Å; E394-E398 PolarHBondContact O-N 3.45Å; D395-E398 PolarHBondContact O-N 3.24Å; E398-K402 HydrophobicContact CG-CD 4.34Å; E398-K402 WeakPolarHBondContact O-CG 3.43Å; E398-K402 PolarHBondContact O-N 3.07Å; E398-K402 WeakPolarHBondContact OE1-CE 3.36Å; E398-K402 IonicContact OE1-NZ 2.68Å; E398-K402 PolarHBondContact OE1-NZ 2.78Å
399H95.8Very high96.6Very high60 Ų6047 Ų4728%0.27823%0.227SC..Hα-helixtrans-58.8-53.9175.3-176.699.3000111.3L373 D374 D395 A396 Y401 K402 L403L373-H399 HydrophobicContact CD2-CB 4.14Å; D374-H399 IonicContact OD1-CE1 2.71Å; D374-H399 PolarHBondContact OD1-CE1 2.86Å; D374-H399 VanDerWaalsContact OD1-CE1 3.25Å; D374-H399 IonicContact OD1-CG 2.76Å; D374-H399 IonicContact OD1-ND1 3.19Å; D374-H399 PolarHBondContact OD1-ND1 2.75Å; D395-H399 PolarHBondContact O-N 2.87Å; A396-H399 PolarHBondContact O-N 3.13Å; H399-Y401 VanDerWaalsContact C-N 3.34Å; H399-Y401 PolarHBondContact O-N 3.36Å; H399-K402 PolarHBondContact O-N 3.44Å; H399-L403 PolarHBondContact O-N 3.18Å
400I96.6Very high96.6Very high0 Ų047 Ų470%022%0.223CC..Hα-helixtrans-63.9-39.5-178.3-65.4-62.7000111.8N333 F336 I371 L373 A396 Q397 L403 M404N333-I400 HydrophobicContact CB-CG2 3.8Å; N333-I400 VanDerWaalsContact O-CG2 3.3Å; N333-I400 WeakPolarHBondContact O-CG2 3.48Å; F336-I400 HydrophobicContact CD1-CB 4.28Å; F336-I400 HydrophobicContact CD1-CG1 3.93Å; F336-I400 HydrophobicContact CD1-CG2 4.34Å; F336-I400 HydrophobicContact CE1-CG1 4.06Å; I371-I400 HydrophobicContact CB-CD1 4.32Å; I371-I400 HydrophobicContact CD1-CD1 3.92Å; I371-I400 HydrophobicContact CD1-CG1 3.82Å; L373-I400 HydrophobicContact CD2-CD1 3.73Å; L373-I400 HydrophobicContact CD2-CG1 3.73Å; A396-I400 WeakPolarHBondContact O-CG1 3.19Å; A396-I400 PolarHBondContact O-N 3.03Å; Q397-I400 PolarHBondContact O-N 3.35Å; I400-L403 HydrophobicContact CD1-CD2 4.49Å; I400-L403 PolarHBondContact O-N 3.03Å; I400-M404 HydrophobicContact CG2-CE 4.06Å; I400-M404 HydrophobicContact CG2-SD 4.43Å; I400-M404 WeakPolarHBondContact O-CG 3.31Å; I400-M404 PolarHBondContact O-N 2.9Å
401Y96.9Very high96.6Very high38 Ų3847.7 Ų47.715%0.14923%0.225CC..Hα-helixtrans-60.1-47.8174.5175.9-85.1000111.5M308 D309 L312 W337 Q397 H399 L403 M404 K405M308-Y401 HydrophobicContact CE-CD1 4.18Å; M308-Y401 HydrophobicContact CE-CD2 3.24Å; M308-Y401 HydrophobicContact CE-CE1 4.07Å; M308-Y401 HydrophobicContact CE-CE2 3.15Å; M308-Y401 HydrophobicContact CE-CG 3.77Å; M308-Y401 WeakPolarHBondContact CE-O 3.28Å; D309-Y401 PolarHBondContact OD1-OH 3.31Å; D309-Y401 PolarHBondContact OD2-OH 3.16Å; L312-Y401 HydrophobicContact CD1-CD2 4.43Å; L312-Y401 HydrophobicContact CD1-CE2 4.18Å; W337-Y401 HydrophobicContact CZ2-CD2 4.23Å; W337-Y401 AromaticContact NE1-CD2 3.58Å; Q397-Y401 VanDerWaalsContact O-CB 3.23Å; Q397-Y401 WeakPolarHBondContact O-CB 3.3Å; Q397-Y401 PolarHBondContact O-N 2.96Å; H399-Y401 VanDerWaalsContact C-N 3.34Å; H399-Y401 PolarHBondContact O-N 3.36Å; Y401-L403 VanDerWaalsContact C-N 3.34Å; Y401-L403 PolarHBondContact O-N 2.73Å; Y401-M404 PolarHBondContact O-N 2.95Å; Y401-K405 HydrophobicContact CD1-CD 4.49Å; Y401-K405 HydrophobicContact CE1-CB 4.46Å; Y401-K405 HydrophobicContact CE1-CD 3.57Å; Y401-K405 VanDerWaalsContact O-CB 3.25Å; Y401-K405 WeakPolarHBondContact O-CB 3.36Å; Y401-K405 PolarHBondContact O-N 2.96Å; Y401-K405 PolarHBondContact OH-NZ 3.3Å
402K95.8Very high96.7Very high114 Ų11440 Ų4050%0.49620%0.195SC..Hα-helixtrans-62.7-41.8178.4-74.8175.3-174.9167.80111.6E398 H399 K405 S406E398-K402 HydrophobicContact CG-CD 4.34Å; E398-K402 WeakPolarHBondContact O-CG 3.43Å; E398-K402 PolarHBondContact O-N 3.07Å; E398-K402 WeakPolarHBondContact OE1-CE 3.36Å; E398-K402 IonicContact OE1-NZ 2.68Å; E398-K402 PolarHBondContact OE1-NZ 2.78Å; H399-K402 PolarHBondContact O-N 3.44Å; K402-K405 PolarHBondContact O-N 3.13Å; K402-S406 PolarHBondContact O-N 3.41Å; K402-S406 PolarHBondContact O-OG 3.42Å
403L94.9Very high96.7Very high60 Ų6040.5 Ų40.531%0.31420%0.197SC..Hα-helixtrans-56.3-55.4176.1179.963.8000111.1H399 I400 Y401 K405 S406 D407H399-L403 PolarHBondContact O-N 3.18Å; I400-L403 HydrophobicContact CD1-CD2 4.49Å; I400-L403 PolarHBondContact O-N 3.03Å; Y401-L403 VanDerWaalsContact C-N 3.34Å; Y401-L403 PolarHBondContact O-N 2.73Å; L403-K405 VanDerWaalsContact C-N 3.31Å; L403-K405 PolarHBondContact O-N 3.37Å; L403-S406 PolarHBondContact O-N 3.04Å; L403-S406 PolarHBondContact O-OG 3.14Å; L403-D407 PolarHBondContact O-N 3.01Å
404M96.3Very high96.6Very high0 Ų049.1 Ų49.10%023%0.23CC..Hα-helixtrans-60.3-40.6178-67.5-172.5-60.900112M308 N333 L334 W337 I400 Y401 S406 D407 S408 Y409M308-M404 HydrophobicContact CE-CB 4.34Å; M308-M404 HydrophobicContact SD-CB 3.73Å; N333-M404 HydrophobicContact CB-CG 4.05Å; N333-M404 HydrophobicContact CB-SD 3.87Å; L334-M404 HydrophobicContact CB-SD 3.93Å; L334-M404 HydrophobicContact CD1-CE 4.4Å; L334-M404 HydrophobicContact CD1-SD 4.4Å; W337-M404 HydrophobicContact CB-CE 3.94Å; W337-M404 HydrophobicContact CG-CE 4.06Å; I400-M404 HydrophobicContact CG2-CE 4.06Å; I400-M404 HydrophobicContact CG2-SD 4.43Å; I400-M404 WeakPolarHBondContact O-CG 3.31Å; I400-M404 PolarHBondContact O-N 2.9Å; Y401-M404 PolarHBondContact O-N 2.95Å; M404-S406 VanDerWaalsContact C-N 3.34Å; M404-S406 PolarHBondContact O-N 3.22Å; M404-D407 PolarHBondContact O-N 2.9Å; M404-S408 PolarHBondContact O-N 3.28Å; M404-Y409 WeakPolarHBondContact O-CB 3.49Å; M404-Y409 PolarHBondContact O-N 3.09Å
405K96.7Very high96.6Very high71 Ų7146.4 Ų46.431%0.30922%0.219SC..Hα-helixtrans-64-36.7-179.9-171.5166-172.4156.90112.8M308 D309 Y401 K402 L403 P410M308-K405 HydrophobicContact CE-CB 3.84Å; M308-K405 HydrophobicContact SD-CB 4.25Å; D309-K405 IonicContact OD2-NZ 2.79Å; D309-K405 PolarHBondContact OD2-NZ 2.87Å; Y401-K405 HydrophobicContact CD1-CD 4.49Å; Y401-K405 HydrophobicContact CE1-CB 4.46Å; Y401-K405 HydrophobicContact CE1-CD 3.57Å; Y401-K405 VanDerWaalsContact O-CB 3.25Å; Y401-K405 WeakPolarHBondContact O-CB 3.36Å; Y401-K405 PolarHBondContact O-N 2.96Å; Y401-K405 PolarHBondContact OH-NZ 3.3Å; K402-K405 PolarHBondContact O-N 3.13Å; L403-K405 VanDerWaalsContact C-N 3.31Å; L403-K405 PolarHBondContact O-N 3.37Å; K405-P410 VanDerWaalsContact O-CD 3.3Å; K405-P410 WeakPolarHBondContact O-CD 3.27Å
406S95.4Very high96.6Very high73 Ų7348.2 Ų48.251%0.5124%0.235SC..Hα-helixtrans-87.7-21.9-179.457.10000114.6K402 L403 M404K402-S406 PolarHBondContact O-N 3.41Å; K402-S406 PolarHBondContact O-OG 3.42Å; L403-S406 PolarHBondContact O-N 3.04Å; L403-S406 PolarHBondContact O-OG 3.14Å; M404-S406 VanDerWaalsContact C-N 3.34Å; M404-S406 PolarHBondContact O-N 3.22Å
407D95Very high96.4Very high67 Ų6750.2 Ų50.236%0.35825%0.252SS..THydrogen-bonded Turntrans-123.5-73.6-173.6177.241.3000113.3L403 M404 Y409 P410 R411L403-D407 PolarHBondContact O-N 3.01Å; M404-D407 PolarHBondContact O-N 2.9Å; D407-Y409 PolarHBondContact O-N 3.35Å; D407-P410 VanDerWaalsContact O-CD 3.31Å; D407-P410 WeakPolarHBondContact O-CD 3.33Å; D407-R411 WeakPolarHBondContact O-CG 3.32Å; D407-R411 PolarHBondContact O-N 3.32Å; D407-R411 IonicContact OD1-CZ 3.25Å; D407-R411 IonicContact OD1-NE 3.96Å; D407-R411 PolarHBondContact OD1-NE 2.93Å; D407-R411 IonicContact OD1-NH2 2.84Å; D407-R411 IonicContact OD2-CZ 3.68Å; D407-R411 IonicContact OD2-NE 3.58Å; D407-R411 IonicContact OD2-NH2 2.81Å; D407-R411 PolarHBondContact OD2-NH2 2.94Å
408S96.3Very high96.4Very high4 Ų449.9 Ų49.93%0.02825%0.25CS..Hα-helixtrans-63-38.5-170.8-40.40000113.2M404 R411 F412M404-S408 PolarHBondContact O-N 3.28Å; S408-R411 PolarHBondContact O-N 2.95Å; S408-F412 PolarHBondContact O-N 3.47Å
409Y97.9Very high96.4Very high11 Ų1147.3 Ų47.34%0.04324%0.238CC..Hα-helixtrans-71.6-45.6-177.2-165.9-99.3000113.3W304 G307 M308 A311 F321 M404 D407 R411 F412 I413W304-Y409 PolarHBondContact O-OH 3.4Å; G307-Y409 VanDerWaalsContact C-CE1 3.41Å; G307-Y409 PolarHBondContact O-OH 3.3Å; M308-Y409 VanDerWaalsContact CA-CE1 3.43Å; M308-Y409 HydrophobicContact CB-CD1 3.74Å; M308-Y409 HydrophobicContact CB-CD2 3.9Å; M308-Y409 HydrophobicContact CB-CE1 4.01Å; M308-Y409 HydrophobicContact CB-CE2 4.15Å; M308-Y409 HydrophobicContact CB-CG 3.67Å; M308-Y409 HydrophobicContact CG-CD1 4.33Å; M308-Y409 HydrophobicContact CG-CD2 3.58Å; M308-Y409 HydrophobicContact CG-CE2 4.01Å; M308-Y409 HydrophobicContact CG-CG 3.75Å; M308-Y409 HydrophobicContact SD-CD2 4.33Å; M308-Y409 HydrophobicContact SD-CG 4.25Å; A311-Y409 HydrophobicContact CB-CE2 3.69Å; A311-Y409 WeakPolarHBondContact CB-OH 3.1Å; F321-Y409 HydrophobicContact CD1-CD2 4.13Å; F321-Y409 HydrophobicContact CD1-CE2 4.5Å; F321-Y409 HydrophobicContact CD2-CD2 4.21Å; F321-Y409 AromaticContact CE1-CD2 3.91Å; F321-Y409 HydrophobicContact CE1-CD2 3.91Å; F321-Y409 HydrophobicContact CE2-CD2 4Å; F321-Y409 HydrophobicContact CG-CD2 4.29Å; F321-Y409 AromaticContact CZ-CD2 3.85Å; F321-Y409 HydrophobicContact CZ-CD2 3.85Å; M404-Y409 WeakPolarHBondContact O-CB 3.49Å; M404-Y409 PolarHBondContact O-N 3.09Å; D407-Y409 PolarHBondContact O-N 3.35Å; Y409-R411 PolarHBondContact O-N 2.96Å; Y409-F412 HydrophobicContact CD2-CD1 4.07Å; Y409-F412 AromaticContact CE2-CD1 3.78Å; Y409-F412 HydrophobicContact CE2-CD1 3.78Å; Y409-F412 HydrophobicContact CE2-CE1 4.2Å; Y409-F412 WeakPolarHBondContact O-CB 3.29Å; Y409-F412 PolarHBondContact O-N 2.93Å; Y409-F412 VanDerWaalsContact O-N 3.14Å; Y409-I413 HydrophobicContact CD1-CG1 4.1Å; Y409-I413 HydrophobicContact CE1-CD1 3.93Å; Y409-I413 HydrophobicContact CE1-CG1 3.73Å; Y409-I413 WeakPolarHBondContact O-CG1 3.19Å; Y409-I413 PolarHBondContact O-N 3.2Å
410P97.8Very high96.3Very high24 Ų2450.5 Ų50.516%0.15625%0.253CS..Hα-helixtrans-56.5-31.8168.8-28.534.9000114K405 D407 R414 I449K405-P410 VanDerWaalsContact O-CD 3.3Å; K405-P410 WeakPolarHBondContact O-CD 3.27Å; D407-P410 VanDerWaalsContact O-CD 3.31Å; D407-P410 WeakPolarHBondContact O-CD 3.33Å; P410-R414 WeakPolarHBondContact O-CG 3.31Å; P410-R414 PolarHBondContact O-N 3.49Å; P410-R414 PolarHBondContact O-NE 2.87Å; P410-I449 HydrophobicContact CG-CD1 4.17Å
411R97.6Very high96.1Very high80 Ų8052.9 Ų52.930%0.30227%0.266SS..Hα-helixtrans-71-43.4173.9-69.9-169.2-77.8131-1.6111.4F324 E328 D407 S408 Y409 I413 R414 S415F324-R411 HydrophobicContact CE1-CB 4.45Å; F324-R411 HydrophobicContact CZ-CB 4.11Å; E328-R411 IonicContact OE1-NH1 3.97Å; E328-R411 PolarHBondContact OE1-NH1 2.85Å; E328-R411 IonicContact OE2-CZ 3.69Å; E328-R411 IonicContact OE2-NH1 3.78Å; E328-R411 PolarHBondContact OE2-NH1 3.16Å; E328-R411 IonicContact OE2-NH2 3.01Å; D407-R411 WeakPolarHBondContact O-CG 3.32Å; D407-R411 PolarHBondContact O-N 3.32Å; D407-R411 IonicContact OD1-CZ 3.25Å; D407-R411 IonicContact OD1-NE 3.96Å; D407-R411 PolarHBondContact OD1-NE 2.93Å; D407-R411 IonicContact OD1-NH2 2.84Å; D407-R411 IonicContact OD2-CZ 3.68Å; D407-R411 IonicContact OD2-NE 3.58Å; D407-R411 IonicContact OD2-NH2 2.81Å; D407-R411 PolarHBondContact OD2-NH2 2.94Å; S408-R411 PolarHBondContact O-N 2.95Å; Y409-R411 PolarHBondContact O-N 2.96Å; R411-I413 PolarHBondContact O-N 2.99Å; R411-R414 CarbonylContact O-C 3.59Å; R411-R414 PolarHBondContact O-N 3.26Å; R411-R414 VanDerWaalsContact O-N 3.15Å; R411-S415 PolarHBondContact O-N 3.43Å
412F97.9Very high95.9Very high2 Ų252.1 Ų52.11%0.00926%0.264CS..Hα-helixtrans-55.1-49.4173.4170.3-115.3000112.7Q320 F321 F324 S408 Y409 R414 S415 Y418Q320-F412 HydrophobicContact CB-CE2 4.39Å; Q320-F412 HydrophobicContact CB-CZ 4.17Å; F321-F412 HydrophobicContact CB-CD1 4.42Å; F321-F412 HydrophobicContact CB-CE1 4.25Å; F321-F412 HydrophobicContact CB-CZ 4.29Å; F321-F412 HydrophobicContact CD2-CB 3.7Å; F321-F412 AromaticContact CD2-CD1 3.88Å; F321-F412 HydrophobicContact CD2-CD1 3.88Å; F321-F412 HydrophobicContact CD2-CD2 4.06Å; F321-F412 AromaticContact CD2-CG 3.6Å; F321-F412 HydrophobicContact CD2-CG 3.6Å; F321-F412 HydrophobicContact CE2-CB 3.8Å; F321-F412 HydrophobicContact CE2-CG 4.22Å; F321-F412 HydrophobicContact CG-CD1 4.37Å; F321-F412 HydrophobicContact CG-CG 4.46Å; F324-F412 HydrophobicContact CB-CD2 3.64Å; F324-F412 HydrophobicContact CB-CE2 4.14Å; F324-F412 HydrophobicContact CD1-CB 3.67Å; F324-F412 AromaticContact CD1-CD2 3.93Å; F324-F412 HydrophobicContact CD1-CD2 3.93Å; F324-F412 HydrophobicContact CD1-CG 4.24Å; F324-F412 HydrophobicContact CD2-CD2 4.32Å; F324-F412 HydrophobicContact CE1-CB 3.79Å; F324-F412 HydrophobicContact CG-CB 4.24Å; F324-F412 AromaticContact CG-CD2 3.69Å; F324-F412 HydrophobicContact CG-CD2 3.69Å; F324-F412 HydrophobicContact CG-CG 4.43Å; F324-F412 HydrophobicContact CZ-CB 4.44Å; S408-F412 PolarHBondContact O-N 3.47Å; Y409-F412 HydrophobicContact CD2-CD1 4.07Å; Y409-F412 AromaticContact CE2-CD1 3.78Å; Y409-F412 HydrophobicContact CE2-CD1 3.78Å; Y409-F412 HydrophobicContact CE2-CE1 4.2Å; Y409-F412 WeakPolarHBondContact O-CB 3.29Å; Y409-F412 PolarHBondContact O-N 2.93Å; Y409-F412 VanDerWaalsContact O-N 3.14Å; F412-R414 PolarHBondContact O-N 3.07Å; F412-S415 VanDerWaalsContact O-CB 3.26Å; F412-S415 WeakPolarHBondContact O-CB 3.02Å; F412-S415 PolarHBondContact O-N 3.11Å; F412-S415 PolarHBondContact O-OG 3.31Å; F412-Y418 HydrophobicContact CE1-CD2 4.13Å; F412-Y418 HydrophobicContact CZ-CD2 4.17Å; F412-Y418 VanDerWaalsContact O-CB 3.31Å; F412-Y418 WeakPolarHBondContact O-CB 3.44Å
413I97.8Very high95.6Very high15 Ų1551.9 Ų51.98%0.07727%0.265CS..Hα-helixtrans-64.3-28-179.9-61.2-58.1000112.6Y409 R411 Y418 Q419 V445Y409-I413 HydrophobicContact CD1-CG1 4.1Å; Y409-I413 HydrophobicContact CE1-CD1 3.93Å; Y409-I413 HydrophobicContact CE1-CG1 3.73Å; Y409-I413 WeakPolarHBondContact O-CG1 3.19Å; Y409-I413 PolarHBondContact O-N 3.2Å; R411-I413 PolarHBondContact O-N 2.99Å; I413-Y418 HydrophobicContact CD1-CD2 3.98Å; I413-Y418 HydrophobicContact CD1-CE1 4.36Å; I413-Y418 HydrophobicContact CD1-CE2 3.81Å; I413-Y418 HydrophobicContact CD1-CG 4.34Å; I413-Y418 HydrophobicContact CG2-CD1 4.25Å; I413-Y418 HydrophobicContact CG2-CE1 3.99Å; I413-Y418 WeakPolarHBondContact O-CD1 3.4Å; I413-Q419 PolarHBondContact O-NE2 3.37Å; I413-V445 HydrophobicContact CG2-CG1 4.24Å
414R96.6Very high94.4Very high182 Ų18252.8 Ų52.869%0.68728%0.281SS*.Hα-helixtrans-87.8-10.1175.8-71.9179.9-74.9162.2-4.5113.6P410 R411 F412P410-R414 WeakPolarHBondContact O-CG 3.31Å; P410-R414 PolarHBondContact O-N 3.49Å; P410-R414 PolarHBondContact O-NE 2.87Å; R411-R414 CarbonylContact O-C 3.59Å; R411-R414 PolarHBondContact O-N 3.26Å; R411-R414 VanDerWaalsContact O-N 3.15Å; F412-R414 PolarHBondContact O-N 3.07Å
415S96.7Very high92.5Very high18 Ų1859.1 Ų59.113%0.12631%0.308CS..SBendtrans-68152.5-177.674.70000112R411 F412 A417 Y418 Q419R411-S415 PolarHBondContact O-N 3.43Å; F412-S415 VanDerWaalsContact O-CB 3.26Å; F412-S415 WeakPolarHBondContact O-CB 3.02Å; F412-S415 PolarHBondContact O-N 3.11Å; F412-S415 PolarHBondContact O-OG 3.31Å; S415-A417 PolarHBondContact O-N 3.1Å; S415-Y418 PolarHBondContact O-N 3.36Å; S415-Y418 PolarHBondContact OG-N 2.84Å; S415-Q419 WeakPolarHBondContact O-CG 3.47Å; S415-Q419 PolarHBondContact O-N 2.98Å
416S95.3Very high90.1Very high84 Ų8464.8 Ų64.859%0.58733%0.333SS*.Hα-helixtrans-58.8-36.9173.5540000111.8Y418 Q419 E420S416-Y418 PolarHBondContact O-N 2.86Å; S416-Q419 PolarHBondContact O-N 3.22Å; S416-Q419 VanDerWaalsContact O-N 3.15Å; S416-E420 WeakPolarHBondContact O-CB 3.16Å; S416-E420 VanDerWaalsContact O-CG 3.31Å; S416-E420 WeakPolarHBondContact O-CG 3.25Å; S416-E420 PolarHBondContact O-N 3.48Å
417A93.9Very high87.4Confident42 Ų4271.3 Ų71.335%0.34735%0.352SS..Hα-helixtrans-56.4-48.1178.800000112.6S415 L421S415-A417 PolarHBondContact O-N 3.1Å; A417-L421 WeakPolarHBondContact O-CG 3.4Å; A417-L421 PolarHBondContact O-N 3.27Å
418Y96.5Very high84.7Confident1 Ų173.6 Ų73.60%0.00437%0.373CS..Hα-helixtrans-67.5-40.7175.9175.5-94.9000112V301 W304 G305 F412 I413 S415 S416 E420 L421 L422V301-Y418 HydrophobicContact CG1-CD2 4.25Å; V301-Y418 HydrophobicContact CG1-CE2 3.74Å; V301-Y418 PolarHBondContact O-OH 3.46Å; W304-Y418 HydrophobicContact CB-CE2 4.3Å; W304-Y418 HydrophobicContact CE3-CD2 4.48Å; W304-Y418 HydrophobicContact CE3-CE2 4.27Å; G305-Y418 PolarHBondContact N-OH 3.26Å; F412-Y418 HydrophobicContact CE1-CD2 4.13Å; F412-Y418 HydrophobicContact CZ-CD2 4.17Å; F412-Y418 VanDerWaalsContact O-CB 3.31Å; F412-Y418 WeakPolarHBondContact O-CB 3.44Å; I413-Y418 HydrophobicContact CD1-CD2 3.98Å; I413-Y418 HydrophobicContact CD1-CE1 4.36Å; I413-Y418 HydrophobicContact CD1-CE2 3.81Å; I413-Y418 HydrophobicContact CD1-CG 4.34Å; I413-Y418 HydrophobicContact CG2-CD1 4.25Å; I413-Y418 HydrophobicContact CG2-CE1 3.99Å; I413-Y418 WeakPolarHBondContact O-CD1 3.4Å; S415-Y418 PolarHBondContact O-N 3.36Å; S415-Y418 PolarHBondContact OG-N 2.84Å; S416-Y418 PolarHBondContact O-N 2.86Å; Y418-E420 VanDerWaalsContact C-N 3.32Å; Y418-E420 PolarHBondContact O-N 3.44Å; Y418-L421 PolarHBondContact O-N 2.6Å; Y418-L422 HydrophobicContact CE1-CD2 4.11Å; Y418-L422 WeakPolarHBondContact O-CB 3.31Å; Y418-L422 PolarHBondContact O-N 3.16Å
419Q95.8Very high81.6Confident48 Ų4876.8 Ų76.822%0.22441%0.407CS..Hα-helixtrans-64.9-35.4179.8-64.2-60.5-41.100112.4I413 S415 S416 L422 Q423I413-Q419 PolarHBondContact O-NE2 3.37Å; S415-Q419 WeakPolarHBondContact O-CG 3.47Å; S415-Q419 PolarHBondContact O-N 2.98Å; S416-Q419 PolarHBondContact O-N 3.22Å; S416-Q419 VanDerWaalsContact O-N 3.15Å; Q419-L422 PolarHBondContact O-N 3.2Å; Q419-Q423 WeakPolarHBondContact O-CB 3.45Å; Q419-Q423 WeakPolarHBondContact O-CG 3.29Å; Q419-Q423 PolarHBondContact O-N 3.06Å; Q419-Q423 VanDerWaalsContact O-N 3.08Å
420E94.1Very high78.7Confident127 Ų12784.7 Ų84.759%0.59345%0.45SS*.Hα-helixtrans-65.9-44.7174.7-75.1169.8-158.700111.6S416 Y418 L422 Q423 A424S416-E420 WeakPolarHBondContact O-CB 3.16Å; S416-E420 VanDerWaalsContact O-CG 3.31Å; S416-E420 WeakPolarHBondContact O-CG 3.25Å; S416-E420 PolarHBondContact O-N 3.48Å; Y418-E420 VanDerWaalsContact C-N 3.32Å; Y418-E420 PolarHBondContact O-N 3.44Å; E420-L422 VanDerWaalsContact C-N 3.32Å; E420-L422 PolarHBondContact O-N 3.04Å; E420-Q423 CarbonylContact O-C 3.41Å; E420-Q423 PolarHBondContact O-N 2.82Å; E420-Q423 VanDerWaalsContact O-N 3.1Å; E420-A424 PolarHBondContact O-N 2.98Å
421L93.5Very high75.6Confident49 Ų4988.8 Ų88.826%0.25748%0.479SS..Hα-helixtrans-60.5-41.4174.7-69.8172000111.8V301 W304 Q320 A417 Y418 Q423 A424V301-L421 HydrophobicContact CG1-CB 4.06Å; V301-L421 HydrophobicContact CG2-CB 4.43Å; W304-L421 HydrophobicContact CZ3-CD1 4.24Å; Q320-L421 HydrophobicContact CB-CD1 4.26Å; Q320-L421 HydrophobicContact CG-CD1 3.77Å; A417-L421 WeakPolarHBondContact O-CG 3.4Å; A417-L421 PolarHBondContact O-N 3.27Å; Y418-L421 PolarHBondContact O-N 2.6Å; L421-Q423 PolarHBondContact O-N 2.82Å; L421-A424 PolarHBondContact O-N 2.87Å
422L92.7Very high72.8Confident22 Ų2294 Ų9412%0.11551%0.509CS..Hα-helixtrans-67.5-25.2177.4-16964.3000112.6Q298 V301 K302 Y418 Q419 E420Q298-L422 HydrophobicContact CG-CD1 4.21Å; Q298-L422 PolarHBondContact NE2-O 3.13Å; V301-L422 HydrophobicContact CG1-CB 4.26Å; V301-L422 HydrophobicContact CG1-CD1 4.18Å; K302-L422 HydrophobicContact CB-CD1 3.96Å; Y418-L422 HydrophobicContact CE1-CD2 4.11Å; Y418-L422 WeakPolarHBondContact O-CB 3.31Å; Y418-L422 PolarHBondContact O-N 3.16Å; Q419-L422 PolarHBondContact O-N 3.2Å; E420-L422 VanDerWaalsContact C-N 3.32Å; E420-L422 PolarHBondContact O-N 3.04Å
423Q87.9Confident70.1Confident109 Ų109101.3 Ų101.351%0.50955%0.548SS..Hα-helixtrans-95.5-12.8-178.6-72.1176.135.700114.5Q419 E420 L421 K425 K426Q419-Q423 WeakPolarHBondContact O-CB 3.45Å; Q419-Q423 WeakPolarHBondContact O-CG 3.29Å; Q419-Q423 PolarHBondContact O-N 3.06Å; Q419-Q423 VanDerWaalsContact O-N 3.08Å; E420-Q423 CarbonylContact O-C 3.41Å; E420-Q423 PolarHBondContact O-N 2.82Å; E420-Q423 VanDerWaalsContact O-N 3.1Å; L421-Q423 PolarHBondContact O-N 2.82Å; Q423-K425 PolarHBondContact O-N 2.81Å; Q423-K426 PolarHBondContact O-N 2.61Å
424A70.6Confident67.4Low79 Ų79110.5 Ų110.565%0.65358%0.582SS**G310 helixtrans-57.1-14-168.700000115.6E420 L421E420-A424 PolarHBondContact O-N 2.98Å; L421-A424 PolarHBondContact O-N 2.87Å
425K55.5Low64.7Low134 Ų134113.3 Ų113.358%0.58359%0.592SS**G310 helixtrans-82.2-8.4173.8-120.4-172.9-179.4-174.70115.5Q423 K427Q423-K425 PolarHBondContact O-N 2.81Å; K425-K427 VanDerWaalsContact C-N 3.28Å; K425-K427 PolarHBondContact O-N 3.21Å
426K47.8Very low61.7Low189 Ų189118.2 Ų118.282%0.82262%0.622SS**G310 helixtrans-74.6-6.3-176.2-115.2-176.3-175.8177.80115.8Q423Q423-K426 PolarHBondContact O-N 2.61Å
427K38.8Very low59.4Low211 Ų211117.8 Ų117.892%0.91762%0.619SS**G310 helixtrans-94.72.8-177.5-84.6-174.6176177.70115.4K425K425-K427 VanDerWaalsContact C-N 3.28Å; K425-K427 PolarHBondContact O-N 3.21Å
428S38.4Very low57Low115 Ų115121.5 Ų121.580%0.80463%0.627SS**SBendtrans-137.586.9173.7170.40000110.7
429G30.6Very low54.1Low70 Ų70128.1 Ų128.172%0.72266%0.659SS**  trans135.2105.7170.600000113.5S431G429-S431 PolarHBondContact O-N 3.13Å
430N36.1Very low51.4Low177 Ų177133 Ų13395%0.94768%0.679SS**  trans-60.2121.4171-115.5-6.5000110.8
431S32.6Very low49.2Very low110 Ų110129.8 Ų129.877%0.76966%0.663SS**  trans-171.6119.3148.4168.70000110G429G429-S431 PolarHBondContact O-N 3.13Å
432M40.3Very low46.8Very low189 Ų189130.5 Ų130.593%0.93168%0.676SS**  trans-66.6119.6162-72.1174.4-177.100108.7
433D40.1Very low44.2Very low156 Ų156135.8 Ų135.883%0.83470%0.7SS**  180168.2118.4-139.6-25.1000110.4
434R42.6Very low42Very low209 Ų209135.1 Ų135.179%0.78970%0.7SS**  trans9159.4178.9-53-174.3-178.8-171.61.4116.8T436R434-T436 VanDerWaalsContact C-N 3.28Å
435R38Very low40.8Very low240 Ų240133.3 Ų133.391%0.90668%0.681SS**SBendtrans-75.6-8.7158.9-100.3176.6175.5152-2.1114.2
436T34.3Very low40Very low121 Ų121130 Ų13074%0.74268%0.684SS**SBendtrans-95.9-11.1-168.748.30000115.8R434R434-T436 VanDerWaalsContact C-N 3.28Å
437S47.5Very low39.5Very low76 Ų76131 Ų13153%0.53168%0.683SS.*SBendtrans-87.5-23.7178.21750000113.2K440 F441S437-K440 PolarHBondContact O-N 3.4Å; S437-F441 PolarHBondContact O-N 3.26Å
438F43.8Very low39.3Very low119 Ų119127.3 Ų127.352%0.52267%0.673SS.*Hα-helixtrans-69-41.5-171.3-174.5-103.8000113.7K440 F441 A442F438-K440 PolarHBondContact O-N 3.38Å; F438-F441 PolarHBondContact O-N 2.98Å; F438-A442 PolarHBondContact O-N 2.97Å; F438-A442 VanDerWaalsContact O-N 3.17Å
439E35.2Very low39.2Very low141 Ų141125.1 Ų125.166%0.65965%0.652SS**Hα-helixtrans-68.4-33.6178.4-78.8178.8151.900112.7Q443E439-Q443 WeakPolarHBondContact O-CB 3.36Å; E439-Q443 WeakPolarHBondContact O-CG 3.39Å; E439-Q443 PolarHBondContact O-N 2.79Å; E439-Q443 VanDerWaalsContact O-N 3.13Å
440K39.9Very low39.3Very low151 Ų151126.4 Ų126.466%0.65765%0.648SS**Hα-helixtrans-70.2-37176.5-73.7-176.5178179.90112.3S437 F438 N444S437-K440 PolarHBondContact O-N 3.4Å; F438-K440 PolarHBondContact O-N 3.38Å; K440-N444 VanDerWaalsContact O-CB 3.31Å; K440-N444 WeakPolarHBondContact O-CB 3.22Å; K440-N444 PolarHBondContact O-N 3Å; K440-N444 VanDerWaalsContact O-N 3.14Å; K440-N444 PolarHBondContact O-ND2 2.87Å
441F46.9Very low39.3Very low59 Ų59123.9 Ų123.926%0.25963%0.633SS.*Hα-helixtrans-68.7-48.6177.3-175.5-103.8000111.6K302 F306 S437 F438 Q443 N444 V445K302-F441 HydrophobicContact CG-CZ 4.24Å; F306-F441 HydrophobicContact CE1-CE2 4.47Å; S437-F441 PolarHBondContact O-N 3.26Å; F438-F441 PolarHBondContact O-N 2.98Å; F441-Q443 VanDerWaalsContact C-N 3.33Å; F441-Q443 PolarHBondContact O-N 3.29Å; F441-N444 PolarHBondContact O-N 2.96Å; F441-V445 HydrophobicContact CD1-CG2 4.24Å; F441-V445 HydrophobicContact CD2-CG2 4.24Å; F441-V445 HydrophobicContact CE1-CG2 3.97Å; F441-V445 HydrophobicContact CE2-CG2 3.96Å; F441-V445 HydrophobicContact CG-CG2 4.37Å; F441-V445 HydrophobicContact CZ-CG2 3.82Å; F441-V445 VanDerWaalsContact O-CG2 3.25Å; F441-V445 WeakPolarHBondContact O-CG2 3.42Å; F441-V445 PolarHBondContact O-N 3.18Å
442A42.9Very low39.4Very low63 Ų63126.3 Ų126.352%0.52163%0.63SS.*Hα-helixtrans-64.1-34.4179.300000113.3F438F438-A442 PolarHBondContact O-N 2.97Å; F438-A442 VanDerWaalsContact O-N 3.17Å
443Q39.4Very low39Very low133 Ų133121.5 Ų121.562%0.62161%0.613SS**Hα-helixtrans-74.4-30.2175.4-77.1178.7-2.800113.7E439 F441E439-Q443 WeakPolarHBondContact O-CB 3.36Å; E439-Q443 WeakPolarHBondContact O-CG 3.39Å; E439-Q443 PolarHBondContact O-N 2.79Å; E439-Q443 VanDerWaalsContact O-N 3.13Å; F441-Q443 VanDerWaalsContact C-N 3.33Å; F441-Q443 PolarHBondContact O-N 3.29Å
444N40.9Very low38.5Very low95 Ų95120.3 Ų120.351%0.50862%0.615SS.*Hα-helixtrans-83.2-33.9-179-79.5-13.9000113.7K440 F441 G446 R447 N448K440-N444 VanDerWaalsContact O-CB 3.31Å; K440-N444 WeakPolarHBondContact O-CB 3.22Å; K440-N444 PolarHBondContact O-N 3Å; K440-N444 VanDerWaalsContact O-N 3.14Å; K440-N444 PolarHBondContact O-ND2 2.87Å; F441-N444 PolarHBondContact O-N 2.96Å; N444-G446 PolarHBondContact O-N 3.13Å; N444-R447 PolarHBondContact O-N 2.99Å; N444-R447 VanDerWaalsContact O-N 3.14Å; N444-N448 PolarHBondContact O-N 2.78Å
445V46.3Very low37.9Very low41 Ų41118.5 Ų118.525%0.24862%0.615CS.*Hα-helixtrans-63.6-28.9177.71750000111.8I413 F441I413-V445 HydrophobicContact CG2-CG1 4.24Å; F441-V445 HydrophobicContact CD1-CG2 4.24Å; F441-V445 HydrophobicContact CD2-CG2 4.24Å; F441-V445 HydrophobicContact CE1-CG2 3.97Å; F441-V445 HydrophobicContact CE2-CG2 3.96Å; F441-V445 HydrophobicContact CG-CG2 4.37Å; F441-V445 HydrophobicContact CZ-CG2 3.82Å; F441-V445 VanDerWaalsContact O-CG2 3.25Å; F441-V445 WeakPolarHBondContact O-CG2 3.42Å; F441-V445 PolarHBondContact O-N 3.18Å
446G37.5Very low37.9Very low64 Ų64115.5 Ų115.566%0.6661%0.609SS**THydrogen-bonded Turntrans-83.6-16.9174.900000115.7N444N444-G446 PolarHBondContact O-N 3.13Å
447R37Very low38Very low211 Ų211117.1 Ų117.180%0.79661%0.613SS**THydrogen-bonded Turntrans-101-21.2-175.1-79.2-173178-166.30.9114.6N444N444-R447 PolarHBondContact O-N 2.99Å; N444-R447 VanDerWaalsContact O-N 3.14Å
448N35.6Very low37.1Very low133 Ų133119.6 Ų119.671%0.71163%0.629SS**  trans-108.928.3-174.4-81.1-10.3000114.4N444 P450N444-N448 PolarHBondContact O-N 2.78Å; N448-P450 WeakPolarHBondContact O-CD 3.5Å
449I36.6Very low36.5Very low69 Ų69120.4 Ų120.435%0.35464%0.644SS.*  trans-83.7105.6161.5-54.6175.4000106.4P410 I451P410-I449 HydrophobicContact CG-CD1 4.17Å; I449-I451 HydrophobicContact CG2-CG1 4.12Å; I449-I451 PolarHBondContact O-N 2.98Å
450P31.5Very low36.5Very low98 Ų98119.2 Ų119.264%0.63665%0.648SS**  trans-66.291.9169.126.7-32.3000108.4N448 F452N448-P450 WeakPolarHBondContact O-CD 3.5Å; P450-F452 HydrophobicContact CB-CD2 4.33Å; P450-F452 HydrophobicContact CB-CE2 3.92Å; P450-F452 HydrophobicContact CB-CZ 4.44Å; P450-F452 PolarHBondContact O-N 2.86Å
451I37Very low36.1Very low124 Ų124118.8 Ų118.864%0.63666%0.659SS**  trans-74.9104160.5-58.5175.4000104.8I449 P453I449-I451 HydrophobicContact CG2-CG1 4.12Å; I449-I451 PolarHBondContact O-N 2.98Å; I451-P453 VanDerWaalsContact O-CD 3.26Å; I451-P453 WeakPolarHBondContact O-CD 3.4Å
452F35Very low35.2Very low161 Ų161124 Ų12471%0.70669%0.688SS**  trans-80.7112.2166.3-72.3-80.7000108.1L248 P450 C454L248-F452 HydrophobicContact CD2-CE1 4.43Å; P450-F452 HydrophobicContact CB-CD2 4.33Å; P450-F452 HydrophobicContact CB-CE2 3.92Å; P450-F452 HydrophobicContact CB-CZ 4.44Å; P450-F452 PolarHBondContact O-N 2.86Å; F452-C454 PolarHBondContact O-N 3.04Å
453P30.4Very low34.5Very low88 Ų88132.3 Ų132.357%0.57171%0.706SS**  trans-73.8126.8166.61.316.9000107.7I451 H455I451-P453 VanDerWaalsContact O-CD 3.26Å; I451-P453 WeakPolarHBondContact O-CD 3.4Å; P453-H455 VanDerWaalsContact C-N 3.26Å; P453-H455 PolarHBondContact O-N 2.8Å
454C31Very low34Very low131 Ų131130.5 Ų130.589%0.88571%0.713SS**  trans-71.186.3166.9-160.30000107.8F452 K456F452-C454 PolarHBondContact O-N 3.04Å; C454-K456 PolarHBondContact O-N 3.43Å
455H29.8Very low33.4Very low170 Ų170131.4 Ų131.479%0.78773%0.727SS**  trans-73.4110.2175.2-92.4-71.8000110.2P453P453-H455 VanDerWaalsContact C-N 3.26Å; P453-H455 PolarHBondContact O-N 2.8Å
456K37.4Very low32.8Very low177 Ų177135.2 Ų135.277%0.7775%0.751SS**  trans-72.3142.9159-73179.9176.1176.70109.3C454C454-K456 PolarHBondContact O-N 3.43Å
457N37.1Very low32.4Very low155 Ų155140 Ų14083%0.82976%0.761SS**  trans75.893.9164.7-58.4-8.1000117.7
458C27Very low32.2Very low129 Ų129137.7 Ų137.787%0.87276%0.764SS**  trans-139.5102.6144-84.90000108.5
459T32.9Very low32.1Very low136 Ų136143 Ų14383%0.83479%0.791SS**  trans-68.6127.1161.536.10000109.2
460P33.2Very low31.9Very low116 Ų116146.7 Ų146.775%0.75381%0.813SS**  trans-91.5111.6167.922.9-10.4000110.2L462P460-L462 PolarHBondContact O-N 2.91Å
461T32Very low31.9Very low142 Ų142149.2 Ų149.287%0.87182%0.822SS**  trans-68.5106.2158.34.50000108.2R463T461-R463 PolarHBondContact O-N 2.83Å
462L29.4Very low31.6Very low167 Ų167150.6 Ų150.687%0.87483%0.832SS**  trans-71.8107169.3-87.2154.3000109.3P460P460-L462 PolarHBondContact O-N 2.91Å
463R27.3Very low31.4Very low239 Ų239150 Ų15090%0.90284%0.84SS**  trans-88.3108.9155.1-95.7-174.2176.8-179.2-0.4107.8T461 S465T461-R463 PolarHBondContact O-N 2.83Å; R463-S465 PolarHBondContact O-N 3.26Å
464A29.7Very low31.5Very low94 Ų94153.9 Ų153.978%0.77786%0.856SS**  trans-69.6120.9163.400000108.6
465S26.8Very low31.5Very low114 Ų114155.4 Ų155.480%0.79785%0.854SS**  trans-109.995.9160.5-69.60000107.4R463R463-S465 PolarHBondContact O-N 3.26Å
466T34.4Very low31.6Very low121 Ų121154.4 Ų154.474%0.74286%0.859SS**  trans-58.9128.5153.941.80000108.4
467N28.4Very low31.2Very low164 Ų164152.6 Ų152.688%0.87787%0.866SS**  trans-145.4113.8143.9-92-27.3000108.9
468L33.8Very low30.7Very low163 Ų163152.4 Ų152.485%0.85387%0.869SS**  trans-62.8128.9159.2-76.3136.6000108.9
469L33.7Very low31Very low244 Ų244154.5 Ų154.5100%1.27787%0.869SS**  -175.80114.5-97.9162.7000109.4

Retrieved 469 of 469 residues in 191.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).