A0A077ZEU6_TRITR Loading...

Retrotransposon gag domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZEU6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 148 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.3Very low69.3Low236 Ų236144.9 Ų144.9100%1.16372%0.723SS**  0135.60-72.1-149.5-141.700109.1
2R54Low71.4Confident235 Ų235144.2 Ų144.289%0.88772%0.72SS**  trans106.8-0.2178.1-62.8-173.5178.41640.5120.2
3Q56Low73.2Confident184 Ų184138.3 Ų138.386%0.8670%0.697SS**SBendtrans-108.813179.2-73.2-173.92.800116.3
4Y60.4Low74.8Confident212 Ų212131.1 Ų131.183%0.83166%0.659SS**  trans-107.511.8-173.3-70.2-78.6000115.4
5F62.1Low76.2Confident198 Ų198127.9 Ų127.987%0.86864%0.636SS**SBendtrans-97.7-6.9-170.1-83.2-78.6000116.6
6N65.7Low77.5Confident142 Ų142126.9 Ų126.976%0.75963%0.627SS**  trans-169.293.7167.9-159.718.5000109.1A8N6-A8 PolarHBondContact O-N 3.45Å
7P75.7Confident78.7Confident109 Ų109124.6 Ų124.671%0.70861%0.614SS**PPolyproline II helixtrans-59140.7171.727.3-32.3000108.4
8A76.8Confident79.8Confident89 Ų89117.7 Ų117.774%0.73658%0.58SS**PPolyproline II helixtrans-53.3138.2171.500000109N6 S10N6-A8 PolarHBondContact O-N 3.45Å; A8-S10 PolarHBondContact O-N 3.21Å
9P83.3Confident80.7Confident60 Ų60117.8 Ų117.839%0.3958%0.575SS.*PPolyproline II helixtrans-52.3139.2177.6-26.634.5000111.1E11 E14 H42P9-E11 PolarHBondContact O-N 2.98Å; P9-E14 HydrophobicContact CB-CG 3.85Å; P9-H42 HydrophobicContact CB-CB 4.07Å; P9-H42 HydrophobicContact CG-CB 4.37Å
10S91.7Very high81.5Confident62 Ų62118.8 Ų118.843%0.43458%0.576SS.*  trans-72.5113.5178.3175.90000109.2A8 I12 V13 E14A8-S10 PolarHBondContact O-N 3.21Å; S10-I12 PolarHBondContact O-N 3.4Å; S10-V13 WeakPolarHBondContact O-CA 3.34Å; S10-V13 WeakPolarHBondContact O-CB 3.48Å; S10-V13 PolarHBondContact O-N 3.46Å; S10-E14 WeakPolarHBondContact O-CG 3.46Å; S10-E14 PolarHBondContact O-N 3.45Å
11E93.5Very high82.3Confident67 Ų67114 Ų11431%0.31355%0.551SS.*Hα-helixtrans-49.7-38.1179.3-175.9-175.5143.200112.7P9 E14 R15 N44P9-E11 PolarHBondContact O-N 2.98Å; E11-E14 PolarHBondContact O-N 3.38Å; E11-R15 HydrophobicContact CG-CG 4.47Å; E11-R15 VanDerWaalsContact O-CB 3.3Å; E11-R15 WeakPolarHBondContact O-CB 3.23Å; E11-R15 VanDerWaalsContact O-CG 3.29Å; E11-R15 WeakPolarHBondContact O-CG 3.45Å; E11-R15 PolarHBondContact O-N 3.3Å; E11-R15 IonicContact OE1-CZ 3.77Å; E11-R15 IonicContact OE1-NE 2.99Å; E11-R15 PolarHBondContact OE1-NE 3.05Å; E11-R15 IonicContact OE1-NH1 3.31Å; E11-R15 PolarHBondContact OE1-NH1 3.33Å; E11-R15 IonicContact OE1-NH2 3.17Å; E11-R15 PolarHBondContact OE1-NH2 3.48Å; E11-R15 VanDerWaalsContact OE1-NH2 3.17Å; E11-N44 HydrophobicContact CG-CB 4.23Å; E11-N44 PolarHBondContact OE2-ND2 3.29Å
12I94.6Very high84.9Confident136 Ų136107.2 Ų107.270%0.69752%0.52SS*.Hα-helixtrans-66.4-40.7178.7-64173000111.1S10 F16S10-I12 PolarHBondContact O-N 3.4Å; I12-F16 VanDerWaalsContact O-CB 3.31Å; I12-F16 WeakPolarHBondContact O-CB 3.26Å; I12-F16 PolarHBondContact O-N 2.9Å
13V95Very high87Confident68 Ų6897.2 Ų97.241%0.41248%0.483SS..Hα-helixtrans-68.2-43.1178175.30000110.4S10 F16 H17S10-V13 WeakPolarHBondContact O-CA 3.34Å; S10-V13 WeakPolarHBondContact O-CB 3.48Å; S10-V13 PolarHBondContact O-N 3.46Å; V13-F16 WeakPolarHBondContact O-CB 3.37Å; V13-F16 PolarHBondContact O-N 3.16Å; V13-H17 WeakPolarHBondContact CG1-NE2 3.35Å; V13-H17 PolarHBondContact O-CD2 2.88Å; V13-H17 PolarHBondContact O-N 2.76Å
14E95.4Very high89Confident37 Ų3796.1 Ų96.117%0.17347%0.471CS..Hα-helixtrans-63.3-46.6177.4-61.4-61.3149.700111P9 S10 E11 F16 H17 F18 H42P9-E14 HydrophobicContact CB-CG 3.85Å; S10-E14 WeakPolarHBondContact O-CG 3.46Å; S10-E14 PolarHBondContact O-N 3.45Å; E11-E14 PolarHBondContact O-N 3.38Å; E14-F16 VanDerWaalsContact C-N 3.32Å; E14-F16 PolarHBondContact O-N 2.77Å; E14-H17 PolarHBondContact O-N 2.97Å; E14-H17 VanDerWaalsContact O-N 3.17Å; E14-F18 WeakPolarHBondContact O-CB 3.47Å; E14-F18 PolarHBondContact O-N 3.46Å; E14-H42 HydrophobicContact CB-CB 4.26Å; E14-H42 HydrophobicContact CG-CB 3.71Å
15R96.4Very high90.6Very high84 Ų8492 Ų9232%0.31747%0.468SS..Hα-helixtrans-60.2-41.1173.8-77.4-179.3167173.32112.1E11 F18 Y19 C43 N44E11-R15 HydrophobicContact CG-CG 4.47Å; E11-R15 VanDerWaalsContact O-CB 3.3Å; E11-R15 WeakPolarHBondContact O-CB 3.23Å; E11-R15 VanDerWaalsContact O-CG 3.29Å; E11-R15 WeakPolarHBondContact O-CG 3.45Å; E11-R15 PolarHBondContact O-N 3.3Å; E11-R15 IonicContact OE1-CZ 3.77Å; E11-R15 IonicContact OE1-NE 2.99Å; E11-R15 PolarHBondContact OE1-NE 3.05Å; E11-R15 IonicContact OE1-NH1 3.31Å; E11-R15 PolarHBondContact OE1-NH1 3.33Å; E11-R15 IonicContact OE1-NH2 3.17Å; E11-R15 PolarHBondContact OE1-NH2 3.48Å; E11-R15 VanDerWaalsContact OE1-NH2 3.17Å; R15-F18 PolarHBondContact O-N 2.77Å; R15-Y19 HydrophobicContact CB-CD2 4.25Å; R15-Y19 HydrophobicContact CB-CE2 4.3Å; R15-Y19 HydrophobicContact CG-CE2 4.49Å; R15-Y19 WeakPolarHBondContact O-CB 3.44Å; R15-Y19 WeakPolarHBondContact O-CD2 3.3Å; R15-Y19 PolarHBondContact O-N 3.26Å; R15-C43 HydrophobicContact CG-CB 3.86Å; R15-C43 VanDerWaalsContact CZ-O 3.31Å; R15-C43 PolarHBondContact N-SG 3.45Å; R15-C43 PolarHBondContact NE-O 3.01Å; R15-C43 PolarHBondContact NH2-O 3.32Å; R15-C43 VanDerWaalsContact NH2-O 3.09Å; R15-N44 PolarHBondContact NH2-O 2.98Å
16F96.9Very high92.2Very high112 Ų11290.5 Ų90.549%0.49147%0.469SS..Hα-helixtrans-60-46175.1172-96.7000111.5I12 V13 E14 K20I12-F16 VanDerWaalsContact O-CB 3.31Å; I12-F16 WeakPolarHBondContact O-CB 3.26Å; I12-F16 PolarHBondContact O-N 2.9Å; V13-F16 WeakPolarHBondContact O-CB 3.37Å; V13-F16 PolarHBondContact O-N 3.16Å; E14-F16 VanDerWaalsContact C-N 3.32Å; E14-F16 PolarHBondContact O-N 2.77Å; F16-K20 HydrophobicContact CE1-CD 3.85Å; F16-K20 HydrophobicContact CE2-CD 4.24Å; F16-K20 HydrophobicContact CZ-CD 3.57Å; F16-K20 WeakPolarHBondContact O-CB 3.14Å; F16-K20 PolarHBondContact O-N 2.8Å
17H97Very high93.7Very high87 Ų8785.3 Ų85.340%0.40344%0.44SS..Hα-helixtrans-64.1-43.6177.3-70.9-51.6000112.2V13 E14 K20 R21 L39V13-H17 WeakPolarHBondContact CG1-NE2 3.35Å; V13-H17 PolarHBondContact O-CD2 2.88Å; V13-H17 PolarHBondContact O-N 2.76Å; E14-H17 PolarHBondContact O-N 2.97Å; E14-H17 VanDerWaalsContact O-N 3.17Å; H17-K20 PolarHBondContact O-N 3.36Å; H17-R21 WeakPolarHBondContact O-CB 3.38Å; H17-R21 PolarHBondContact O-N 3.24Å; H17-L39 HydrophobicContact CB-CD2 3.98Å
18F98.1Very high94.7Very high0 Ų081.7 Ų81.70%042%0.418CS..Hα-helixtrans-57.8-52.8175.1175.2-97.8000112.1E14 R15 K20 R21 L36 L39 A52 L53 R56E14-F18 WeakPolarHBondContact O-CB 3.47Å; E14-F18 PolarHBondContact O-N 3.46Å; R15-F18 PolarHBondContact O-N 2.77Å; F18-K20 VanDerWaalsContact C-N 3.28Å; F18-K20 PolarHBondContact O-N 3.17Å; F18-R21 WeakPolarHBondContact O-CB 3.44Å; F18-R21 PolarHBondContact O-N 3.21Å; F18-L36 HydrophobicContact CE2-CB 4.41Å; F18-L36 HydrophobicContact CE2-CD2 4.34Å; F18-L39 HydrophobicContact CB-CB 4.22Å; F18-L39 HydrophobicContact CD2-CB 4.26Å; F18-A52 HydrophobicContact CE1-CB 4.05Å; F18-A52 HydrophobicContact CZ-CB 4.11Å; F18-A52 WeakPolarHBondContact CZ-O 3.42Å; F18-L53 HydrophobicContact CE2-CD2 3.93Å; F18-L53 HydrophobicContact CZ-CD2 4.38Å; F18-R56 HydrophobicContact CE1-CB 4.15Å; F18-R56 HydrophobicContact CE1-CG 4.45Å; F18-R56 HydrophobicContact CZ-CB 3.83Å; F18-R56 HydrophobicContact CZ-CG 4.25Å; F18-R56 PolarHBondContact O-NE 2.91Å
19Y97.2Very high95.7Very high121 Ų12177.8 Ų77.848%0.47538%0.384SS..Hα-helixtrans-75.4-12.5-177.1-71.4-61.4000114.3R15 R56R15-Y19 HydrophobicContact CB-CD2 4.25Å; R15-Y19 HydrophobicContact CB-CE2 4.3Å; R15-Y19 HydrophobicContact CG-CE2 4.49Å; R15-Y19 WeakPolarHBondContact O-CB 3.44Å; R15-Y19 WeakPolarHBondContact O-CD2 3.3Å; R15-Y19 PolarHBondContact O-N 3.26Å; Y19-R56 PolarHBondContact O-NH1 2.9Å
20K97.3Very high96.4Very high137 Ų13777.4 Ų77.460%0.59639%0.387SS*.THydrogen-bonded Turntrans-92.7-6.7173.9-171172.1177.8-177.80112.9F16 H17 F18 D22F16-K20 HydrophobicContact CE1-CD 3.85Å; F16-K20 HydrophobicContact CE2-CD 4.24Å; F16-K20 HydrophobicContact CZ-CD 3.57Å; F16-K20 WeakPolarHBondContact O-CB 3.14Å; F16-K20 PolarHBondContact O-N 2.8Å; H17-K20 PolarHBondContact O-N 3.36Å; F18-K20 VanDerWaalsContact C-N 3.28Å; F18-K20 PolarHBondContact O-N 3.17Å; K20-D22 PolarHBondContact O-N 3.36Å; K20-D22 VanDerWaalsContact O-N 3.15Å
21R98Very high96.7Very high17 Ų1779.1 Ų79.16%0.06439%0.391CS..  trans-80.996.9-169.617948169.598.110.8112.3H17 F18 E27 F32 L36 L39 R56H17-R21 WeakPolarHBondContact O-CB 3.38Å; H17-R21 PolarHBondContact O-N 3.24Å; F18-R21 WeakPolarHBondContact O-CB 3.44Å; F18-R21 PolarHBondContact O-N 3.21Å; R21-E27 IonicContact CZ-OE1 2.71Å; R21-E27 IonicContact CZ-OE2 2.76Å; R21-E27 VanDerWaalsContact CZ-OE2 3.31Å; R21-E27 IonicContact NH1-OE1 3.64Å; R21-E27 IonicContact NH1-OE2 3.65Å; R21-E27 PolarHBondContact NH1-OE2 3.34Å; R21-E27 IonicContact NH2-OE1 2.7Å; R21-E27 PolarHBondContact NH2-OE1 3.28Å; R21-E27 IonicContact NH2-OE2 3.82Å; R21-E27 PolarHBondContact NH2-OE2 3.14Å; R21-F32 HydrophobicContact CG-CE2 4.06Å; R21-F32 VanDerWaalsContact NH1-CD2 3.32Å; R21-L36 HydrophobicContact CB-CD2 3.96Å; R21-L36 HydrophobicContact CG-CD2 3.7Å; R21-L39 HydrophobicContact CB-CD1 3.76Å; R21-L39 HydrophobicContact CG-CD1 3.72Å; R21-R56 VanDerWaalsContact O-CZ 3.23Å; R21-R56 PolarHBondContact O-NE 3.49Å; R21-R56 PolarHBondContact O-NH2 2.9Å
22D98Very high97Very high95 Ų9575.9 Ų75.951%0.50838%0.376SS..PPolyproline II helixtrans-91.2145.5172.1-61.4-53.7000111.7K20 R24 R56 S60K20-D22 PolarHBondContact O-N 3.36Å; K20-D22 VanDerWaalsContact O-N 3.15Å; D22-R24 PolarHBondContact O-N 3.21Å; D22-R56 VanDerWaalsContact CG-NH2 3.26Å; D22-R56 IonicContact OD1-CZ 2.9Å; D22-R56 IonicContact OD1-NH2 3.49Å; D22-R56 PolarHBondContact OD1-NH2 2.84Å; D22-R56 IonicContact OD2-NH2 2.63Å; D22-S60 WeakPolarHBondContact OD1-CB 3.45Å; D22-S60 PolarHBondContact OD1-OG 3.17Å
23Q98.4Very high97.2Very high24 Ų2469.8 Ų69.811%0.11235%0.345CS..PPolyproline II helixtrans-55.7128.6174.1-175.7179.914.900109.5E27 F32 S60 A62Q23-E27 HydrophobicContact CG-CB 4.21Å; Q23-E27 HydrophobicContact CG-CG 4.44Å; Q23-E27 PolarHBondContact NE2-O 3.35Å; Q23-F32 HydrophobicContact CB-CB 4.48Å; Q23-F32 HydrophobicContact CB-CD1 3.85Å; Q23-F32 HydrophobicContact CB-CD2 4.05Å; Q23-F32 HydrophobicContact CB-CE1 4.01Å; Q23-F32 HydrophobicContact CB-CE2 4.18Å; Q23-F32 HydrophobicContact CB-CG 3.87Å; Q23-F32 HydrophobicContact CB-CZ 4.17Å; Q23-F32 HydrophobicContact CG-CB 4.12Å; Q23-F32 HydrophobicContact CG-CD1 4.21Å; Q23-F32 HydrophobicContact CG-CG 4.05Å; Q23-S60 VanDerWaalsContact CB-O 3.3Å; Q23-S60 WeakPolarHBondContact CB-O 3.37Å; Q23-S60 PolarHBondContact N-O 3.42Å; Q23-A62 HydrophobicContact CB-CB 4.13Å; Q23-A62 HydrophobicContact CG-CB 4.09Å
24R97.8Very high97.3Very high162 Ų16269.3 Ų69.361%0.61135%0.348SS*.PPolyproline II helixtrans-76.8154.8-179.2-63.5173179161.21.5110.4D22 N26 E27D22-R24 PolarHBondContact O-N 3.21Å; R24-N26 PolarHBondContact O-N 3.45Å; R24-E27 HydrophobicContact CB-CB 3.98Å; R24-E27 PolarHBondContact N-OE2 3.4Å; R24-E27 WeakPolarHBondContact O-CB 3.29Å; R24-E27 PolarHBondContact O-N 3.02Å; R24-E27 VanDerWaalsContact O-N 3.1Å
25T94.7Very high97.5Very high125 Ų12569.9 Ų69.977%0.76735%0.351SS*.THydrogen-bonded Turntrans-57.4129168.3-46.60000109.5E27T25-E27 VanDerWaalsContact C-N 3.3Å; T25-E27 PolarHBondContact O-N 3.41Å
26N94.4Very high97.5Very high166 Ų16665.9 Ų65.989%0.88834%0.336SS*.THydrogen-bonded Turntrans67.818.1-176.9-46-48.5000115.9R24R24-N26 PolarHBondContact O-N 3.45Å
27E97.7Very high97.6Very high33 Ų3365.7 Ų65.715%0.15433%0.332CS..  trans-90.7135.7169.8177.9169.7-119.500110.5R21 Q23 R24 T25 D31 F32R21-E27 IonicContact CZ-OE1 2.71Å; R21-E27 IonicContact CZ-OE2 2.76Å; R21-E27 VanDerWaalsContact CZ-OE2 3.31Å; R21-E27 IonicContact NH1-OE1 3.64Å; R21-E27 IonicContact NH1-OE2 3.65Å; R21-E27 PolarHBondContact NH1-OE2 3.34Å; R21-E27 IonicContact NH2-OE1 2.7Å; R21-E27 PolarHBondContact NH2-OE1 3.28Å; R21-E27 IonicContact NH2-OE2 3.82Å; R21-E27 PolarHBondContact NH2-OE2 3.14Å; Q23-E27 HydrophobicContact CG-CB 4.21Å; Q23-E27 HydrophobicContact CG-CG 4.44Å; Q23-E27 PolarHBondContact NE2-O 3.35Å; R24-E27 HydrophobicContact CB-CB 3.98Å; R24-E27 PolarHBondContact N-OE2 3.4Å; R24-E27 WeakPolarHBondContact O-CB 3.29Å; R24-E27 PolarHBondContact O-N 3.02Å; R24-E27 VanDerWaalsContact O-N 3.1Å; T25-E27 VanDerWaalsContact C-N 3.3Å; T25-E27 PolarHBondContact O-N 3.41Å; E27-D31 HydrophobicContact CG-CB 4.03Å; E27-F32 HydrophobicContact CG-CB 4.14Å
28S97.3Very high97.6Very high34 Ų3467.7 Ų67.724%0.23834%0.336CS..  trans-70.9155.2174.575.60000111.3A30 D31 F32 E89S28-A30 PolarHBondContact O-N 3.22Å; S28-D31 PolarHBondContact O-N 3.5Å; S28-D31 WeakPolarHBondContact OG-CB 3.12Å; S28-D31 PolarHBondContact OG-N 3.41Å; S28-D31 PolarHBondContact OG-OD2 2.67Å; S28-F32 WeakPolarHBondContact O-CB 3.35Å; S28-F32 PolarHBondContact O-N 2.63Å; S28-E89 WeakPolarHBondContact CA-OE2 3.46Å
29I97.7Very high97.5Very high6 Ų668.3 Ų68.33%0.03134%0.339CS..Hα-helixtrans-60.6-37175.5-67.4170.7000110.8F32 V33 I61 L66 L82 A85 L86 E89I29-F32 PolarHBondContact O-N 3.07Å; I29-V33 HydrophobicContact CG2-CG2 4.36Å; I29-V33 WeakPolarHBondContact O-CB 3.4Å; I29-V33 WeakPolarHBondContact O-CG2 3.45Å; I29-V33 PolarHBondContact O-N 2.85Å; I29-I61 HydrophobicContact CD1-CD1 4Å; I29-I61 HydrophobicContact CG1-CD1 4.24Å; I29-L66 HydrophobicContact CD1-CD2 4.24Å; I29-L82 HydrophobicContact CG2-CD1 4.21Å; I29-A85 VanDerWaalsContact CD1-C 3.48Å; I29-A85 HydrophobicContact CD1-CB 3.9Å; I29-A85 WeakPolarHBondContact CD1-O 3.43Å; I29-A85 HydrophobicContact CG2-CB 4Å; I29-L86 HydrophobicContact CB-CD2 4.14Å; I29-L86 HydrophobicContact CG2-CD2 4Å; I29-L86 HydrophobicContact CG2-CG 4.29Å; I29-E89 HydrophobicContact CD1-CB 3.67Å; I29-E89 HydrophobicContact CD1-CG 4.38Å; I29-E89 WeakPolarHBondContact CG1-OE2 3.32Å; I29-E89 PolarHBondContact N-OE2 3.32Å
30A97.9Very high97.5Very high53 Ų5363 Ų6344%0.43832%0.319SS..Hα-helixtrans-62.6-46.1177.500000112.3S28 V33 A34 L86S28-A30 PolarHBondContact O-N 3.22Å; A30-V33 PolarHBondContact O-N 3.14Å; A30-A34 WeakPolarHBondContact O-CB 3.26Å; A30-A34 PolarHBondContact O-N 3Å; A30-L86 HydrophobicContact CB-CD2 4.43Å
31D98.4Very high97.4Very high97 Ų9762.8 Ų62.852%0.51932%0.32SS..Hα-helixtrans-66.8-41.8178.5-64.8-41.1000111.5E27 S28 V33 A34 E35E27-D31 HydrophobicContact CG-CB 4.03Å; S28-D31 PolarHBondContact O-N 3.5Å; S28-D31 WeakPolarHBondContact OG-CB 3.12Å; S28-D31 PolarHBondContact OG-N 3.41Å; S28-D31 PolarHBondContact OG-OD2 2.67Å; D31-V33 VanDerWaalsContact C-N 3.35Å; D31-V33 PolarHBondContact O-N 2.82Å; D31-A34 PolarHBondContact O-N 3.27Å; D31-E35 PolarHBondContact O-N 3.46Å
32F98.5Very high97.2Very high0 Ų065.6 Ų65.60%033%0.334CS..Hα-helixtrans-57.6-48.5175.8174.7-135.7000111.5R21 Q23 E27 S28 I29 E35 L36 L57R21-F32 HydrophobicContact CG-CE2 4.06Å; R21-F32 VanDerWaalsContact NH1-CD2 3.32Å; Q23-F32 HydrophobicContact CB-CB 4.48Å; Q23-F32 HydrophobicContact CB-CD1 3.85Å; Q23-F32 HydrophobicContact CB-CD2 4.05Å; Q23-F32 HydrophobicContact CB-CE1 4.01Å; Q23-F32 HydrophobicContact CB-CE2 4.18Å; Q23-F32 HydrophobicContact CB-CG 3.87Å; Q23-F32 HydrophobicContact CB-CZ 4.17Å; Q23-F32 HydrophobicContact CG-CB 4.12Å; Q23-F32 HydrophobicContact CG-CD1 4.21Å; Q23-F32 HydrophobicContact CG-CG 4.05Å; E27-F32 HydrophobicContact CG-CB 4.14Å; S28-F32 WeakPolarHBondContact O-CB 3.35Å; S28-F32 PolarHBondContact O-N 2.63Å; I29-F32 PolarHBondContact O-N 3.07Å; F32-E35 PolarHBondContact O-N 2.87Å; F32-L36 HydrophobicContact CD1-CD1 4.5Å; F32-L36 HydrophobicContact CD2-CG 4.21Å; F32-L36 HydrophobicContact CE1-CD1 4Å; F32-L36 HydrophobicContact CE2-CD1 4.04Å; F32-L36 HydrophobicContact CE2-CD2 3.92Å; F32-L36 HydrophobicContact CE2-CG 3.87Å; F32-L36 HydrophobicContact CZ-CD1 3.74Å; F32-L36 HydrophobicContact CZ-CD2 4.23Å; F32-L36 HydrophobicContact CZ-CG 4.11Å; F32-L36 WeakPolarHBondContact O-CG 3.42Å; F32-L36 PolarHBondContact O-N 2.89Å; F32-L57 HydrophobicContact CD1-CD1 3.97Å; F32-L57 HydrophobicContact CE1-CD1 3.88Å
33V98.3Very high97Very high8 Ų861.1 Ų61.15%0.04831%0.31CS..Hα-helixtrans-65.5-40.1179164.90000112I29 A30 D31 E35 L36 R37 L57 F78 L82I29-V33 HydrophobicContact CG2-CG2 4.36Å; I29-V33 WeakPolarHBondContact O-CB 3.4Å; I29-V33 WeakPolarHBondContact O-CG2 3.45Å; I29-V33 PolarHBondContact O-N 2.85Å; A30-V33 PolarHBondContact O-N 3.14Å; D31-V33 VanDerWaalsContact C-N 3.35Å; D31-V33 PolarHBondContact O-N 2.82Å; V33-E35 VanDerWaalsContact C-N 3.27Å; V33-E35 PolarHBondContact O-N 3.03Å; V33-L36 PolarHBondContact O-N 3.25Å; V33-R37 WeakPolarHBondContact O-CG 3.44Å; V33-R37 PolarHBondContact O-N 2.89Å; V33-L57 HydrophobicContact CG2-CD1 3.85Å; V33-L57 HydrophobicContact CG2-CD2 4.35Å; V33-F78 HydrophobicContact CG1-CE1 4.44Å; V33-F78 HydrophobicContact CG1-CZ 3.67Å; V33-F78 HydrophobicContact CG2-CZ 4.35Å; V33-L82 HydrophobicContact CB-CD1 4.42Å; V33-L82 HydrophobicContact CG1-CD1 4.34Å; V33-L82 HydrophobicContact CG1-CD2 4.45Å; V33-L82 HydrophobicContact CG2-CD1 3.75Å
34A98.4Very high96.8Very high58 Ų5865.1 Ų65.148%0.47933%0.332SS..Hα-helixtrans-58.5-42.7174.700000111A30 D31 R37 R38A30-A34 WeakPolarHBondContact O-CB 3.26Å; A30-A34 PolarHBondContact O-N 3Å; D31-A34 PolarHBondContact O-N 3.27Å; A34-R37 PolarHBondContact O-N 2.99Å; A34-R38 PolarHBondContact O-N 3.32Å
35E98.3Very high96.5Very high48 Ų4858.8 Ų58.822%0.22431%0.311CS..Hα-helixtrans-69.2-38.4177.2-176.461.3-175.300112.8D31 F32 V33 R37 R38 L39D31-E35 PolarHBondContact O-N 3.46Å; F32-E35 PolarHBondContact O-N 2.87Å; V33-E35 VanDerWaalsContact C-N 3.27Å; V33-E35 PolarHBondContact O-N 3.03Å; E35-R37 VanDerWaalsContact C-N 3.31Å; E35-R37 PolarHBondContact O-N 2.71Å; E35-R38 PolarHBondContact O-N 2.77Å; E35-R38 IonicContact OE1-CZ 2.61Å; E35-R38 IonicContact OE1-NE 2.94Å; E35-R38 PolarHBondContact OE1-NE 3.38Å; E35-R38 IonicContact OE1-NH2 3.83Å; E35-R38 PolarHBondContact OE1-NH2 3.45Å; E35-R38 IonicContact OE2-CZ 2.7Å; E35-R38 IonicContact OE2-NE 3.64Å; E35-R38 PolarHBondContact OE2-NE 3.1Å; E35-R38 IonicContact OE2-NH2 3.42Å; E35-L39 HydrophobicContact CG-CD1 4.2Å; E35-L39 WeakPolarHBondContact O-CG 3.19Å; E35-L39 PolarHBondContact O-N 3.1Å
36L98.3Very high96.5Very high0 Ų055.7 Ų55.70%030%0.303CS..Hα-helixtrans-59.4-42.3173-71.7-176.4000111.9F18 R21 F32 V33 L39 S40 L53 R56 L57F18-L36 HydrophobicContact CE2-CB 4.41Å; F18-L36 HydrophobicContact CE2-CD2 4.34Å; R21-L36 HydrophobicContact CB-CD2 3.96Å; R21-L36 HydrophobicContact CG-CD2 3.7Å; F32-L36 HydrophobicContact CD1-CD1 4.5Å; F32-L36 HydrophobicContact CD2-CG 4.21Å; F32-L36 HydrophobicContact CE1-CD1 4Å; F32-L36 HydrophobicContact CE2-CD1 4.04Å; F32-L36 HydrophobicContact CE2-CD2 3.92Å; F32-L36 HydrophobicContact CE2-CG 3.87Å; F32-L36 HydrophobicContact CZ-CD1 3.74Å; F32-L36 HydrophobicContact CZ-CD2 4.23Å; F32-L36 HydrophobicContact CZ-CG 4.11Å; F32-L36 WeakPolarHBondContact O-CG 3.42Å; F32-L36 PolarHBondContact O-N 2.89Å; V33-L36 PolarHBondContact O-N 3.25Å; L36-L39 PolarHBondContact O-N 2.7Å; L36-S40 WeakPolarHBondContact O-CB 3.33Å; L36-S40 PolarHBondContact O-N 3.26Å; L36-S40 PolarHBondContact O-OG 2.88Å; L36-L53 HydrophobicContact CB-CD2 3.89Å; L36-R56 HydrophobicContact CD1-CB 4.31Å; L36-R56 HydrophobicContact CD1-CG 4.08Å; L36-R56 HydrophobicContact CD2-CB 4.45Å; L36-R56 HydrophobicContact CD2-CG 3.54Å; L36-R56 HydrophobicContact CG-CG 4.47Å; L36-L57 HydrophobicContact CD1-CB 4.45Å
37R97.7Very high96.5Very high109 Ų10954 Ų5441%0.41130%0.304SS..Hα-helixtrans-65.3-40175.8-69.9-177.7-176.9-74.511.3111.9V33 A34 E35 S40 E41 L53V33-R37 WeakPolarHBondContact O-CG 3.44Å; V33-R37 PolarHBondContact O-N 2.89Å; A34-R37 PolarHBondContact O-N 2.99Å; E35-R37 VanDerWaalsContact C-N 3.31Å; E35-R37 PolarHBondContact O-N 2.71Å; R37-S40 PolarHBondContact O-N 3.25Å; R37-S40 PolarHBondContact O-OG 2.8Å; R37-E41 PolarHBondContact O-N 2.7Å; R37-L53 HydrophobicContact CG-CD1 4.37Å; R37-L53 HydrophobicContact CG-CD2 4.27Å
38R97.3Very high96.4Very high129 Ų12953.7 Ų53.749%0.48731%0.311SS..Hα-helixtrans-62.9-43176-165.2-166.667.2700.8111.7A34 E35 S40 E41A34-R38 PolarHBondContact O-N 3.32Å; E35-R38 PolarHBondContact O-N 2.77Å; E35-R38 IonicContact OE1-CZ 2.61Å; E35-R38 IonicContact OE1-NE 2.94Å; E35-R38 PolarHBondContact OE1-NE 3.38Å; E35-R38 IonicContact OE1-NH2 3.83Å; E35-R38 PolarHBondContact OE1-NH2 3.45Å; E35-R38 IonicContact OE2-CZ 2.7Å; E35-R38 IonicContact OE2-NE 3.64Å; E35-R38 PolarHBondContact OE2-NE 3.1Å; E35-R38 IonicContact OE2-NH2 3.42Å; R38-S40 VanDerWaalsContact C-N 3.31Å; R38-S40 PolarHBondContact O-N 3.03Å; R38-E41 WeakPolarHBondContact O-CB 3.44Å
39L96.8Very high96.3Very high13 Ų1355 Ų557%0.06831%0.314CS..Hα-helixtrans-70.8-25.1178.6-69.8172.6000113.2H17 F18 R21 E35 L36 E41 C43H17-L39 HydrophobicContact CB-CD2 3.98Å; F18-L39 HydrophobicContact CB-CB 4.22Å; F18-L39 HydrophobicContact CD2-CB 4.26Å; R21-L39 HydrophobicContact CB-CD1 3.76Å; R21-L39 HydrophobicContact CG-CD1 3.72Å; E35-L39 HydrophobicContact CG-CD1 4.2Å; E35-L39 WeakPolarHBondContact O-CG 3.19Å; E35-L39 PolarHBondContact O-N 3.1Å; L36-L39 PolarHBondContact O-N 2.7Å; L39-E41 VanDerWaalsContact C-N 3.35Å; L39-C43 PolarHBondContact O-SG 3.47Å
40S96.5Very high96.3Very high8 Ų859 Ų596%0.05634%0.336CS..Hα-helixtrans-80.9-14.2-179.671.50000113.9L36 R37 R38 H42 C43L36-S40 WeakPolarHBondContact O-CB 3.33Å; L36-S40 PolarHBondContact O-N 3.26Å; L36-S40 PolarHBondContact O-OG 2.88Å; R37-S40 PolarHBondContact O-N 3.25Å; R37-S40 PolarHBondContact O-OG 2.8Å; R38-S40 VanDerWaalsContact C-N 3.31Å; R38-S40 PolarHBondContact O-N 3.03Å; S40-H42 PolarHBondContact O-N 3.42Å; S40-H42 VanDerWaalsContact O-N 3.13Å; S40-C43 WeakPolarHBondContact O-CB 3.39Å; S40-C43 PolarHBondContact O-N 2.76Å
41E94.9Very high96.2Very high134 Ų13459.8 Ų59.863%0.62634%0.335SS*.THydrogen-bonded Turntrans-53.8-36.8-173.9-170.9176.8172.100113.4R37 R38 L39R37-E41 PolarHBondContact O-N 2.7Å; R38-E41 WeakPolarHBondContact O-CB 3.44Å; L39-E41 VanDerWaalsContact C-N 3.35Å
42H93.2Very high96.2Very high76 Ų7655.5 Ų55.535%0.35231%0.313SS..THydrogen-bonded Turntrans-112.413.1-177.6-58.4-40.8000113.2P9 E14 S40 N44P9-H42 HydrophobicContact CB-CB 4.07Å; P9-H42 HydrophobicContact CG-CB 4.37Å; E14-H42 HydrophobicContact CB-CB 4.26Å; E14-H42 HydrophobicContact CG-CB 3.71Å; S40-H42 PolarHBondContact O-N 3.42Å; S40-H42 VanDerWaalsContact O-N 3.13Å; H42-N44 VanDerWaalsContact C-N 3.34Å
43C95.1Very high96.2Very high0 Ų055.6 Ų55.60%031%0.314CS..SBendtrans-82.2-6-180-74.70000114.2R15 L39 S40 L45R15-C43 HydrophobicContact CG-CB 3.86Å; R15-C43 VanDerWaalsContact CZ-O 3.31Å; R15-C43 PolarHBondContact N-SG 3.45Å; R15-C43 PolarHBondContact NE-O 3.01Å; R15-C43 PolarHBondContact NH2-O 3.32Å; R15-C43 VanDerWaalsContact NH2-O 3.09Å; L39-C43 PolarHBondContact O-SG 3.47Å; S40-C43 WeakPolarHBondContact O-CB 3.39Å; S40-C43 PolarHBondContact O-N 2.76Å; C43-L45 VanDerWaalsContact C-N 3.25Å; C43-L45 HydrophobicContact CB-CD1 3.85Å; C43-L45 HydrophobicContact CB-CD2 4.28Å; C43-L45 HydrophobicContact CB-CG 3.65Å; C43-L45 PolarHBondContact O-N 2.95Å; C43-L45 VanDerWaalsContact O-N 3.17Å
44N93.2Very high96.1Very high109 Ų10958 Ų5858%0.58332%0.322SS*.  trans46.445.3-176.3-62-34.8000113.4E11 R15 H42 G46E11-N44 HydrophobicContact CG-CB 4.23Å; E11-N44 PolarHBondContact OE2-ND2 3.29Å; R15-N44 PolarHBondContact NH2-O 2.98Å; H42-N44 VanDerWaalsContact C-N 3.34Å; N44-G46 PolarHBondContact O-N 3.44Å
45L92.8Very high96.1Very high29 Ų2958.6 Ų58.615%0.15232%0.317CS..  trans-75.3-11-176.9-65.4167000113.4C43 S47 G48 I49 A52C43-L45 VanDerWaalsContact C-N 3.25Å; C43-L45 HydrophobicContact CB-CD1 3.85Å; C43-L45 HydrophobicContact CB-CD2 4.28Å; C43-L45 HydrophobicContact CB-CG 3.65Å; C43-L45 PolarHBondContact O-N 2.95Å; C43-L45 VanDerWaalsContact O-N 3.17Å; L45-S47 PolarHBondContact O-N 2.99Å; L45-G48 WeakPolarHBondContact O-CA 3.21Å; L45-G48 PolarHBondContact O-N 3.34Å; L45-I49 HydrophobicContact CB-CB 4.12Å; L45-I49 HydrophobicContact CD1-CG1 4.36Å; L45-A52 HydrophobicContact CD1-CB 3.81Å; L45-A52 HydrophobicContact CD2-CB 4.27Å
46G93.9Very high96Very high60 Ų6057.9 Ų57.962%0.61931%0.312SS*.G310 helixtrans55.6-135.717800000112.4N44 G48 I49N44-G46 PolarHBondContact O-N 3.44Å; G46-G48 PolarHBondContact O-N 3.48Å; G46-I49 PolarHBondContact O-N 3.41Å
47S93.6Very high96Very high129 Ų12957.9 Ų57.990%0.90231%0.312SS*.G310 helixtrans-66.3-11.3175.9540000114.1L45L45-S47 PolarHBondContact O-N 2.99Å
48G95.4Very high96Very high28 Ų2853.1 Ų53.129%0.28930%0.295SS..G310 helixtrans-87.93.7179.300000114.7L45 G46 D50 T51 A52L45-G48 WeakPolarHBondContact O-CA 3.21Å; L45-G48 PolarHBondContact O-N 3.34Å; G46-G48 PolarHBondContact O-N 3.48Å; G48-D50 PolarHBondContact O-N 3Å; G48-T51 PolarHBondContact O-N 2.95Å; G48-A52 WeakPolarHBondContact O-CB 3.37Å; G48-A52 PolarHBondContact O-N 3.48Å
49I96.1Very high95.9Very high60 Ų6050.3 Ų50.331%0.30830%0.295SS..Hα-helixtrans-60.1-42.8-175.4-170.8164.8000112.8L45 G46 A52 L53L45-I49 HydrophobicContact CB-CB 4.12Å; L45-I49 HydrophobicContact CD1-CG1 4.36Å; G46-I49 PolarHBondContact O-N 3.41Å; I49-A52 PolarHBondContact O-N 3.48Å; I49-L53 HydrophobicContact CG1-CD1 3.95Å; I49-L53 HydrophobicContact CG1-CG 4.31Å; I49-L53 WeakPolarHBondContact O-CB 3.45Å; I49-L53 VanDerWaalsContact O-CG 3.29Å; I49-L53 WeakPolarHBondContact O-CG 3.33Å; I49-L53 PolarHBondContact O-N 3.49Å
50D96.8Very high95.9Very high92 Ų9250 Ų5049%0.49229%0.294SS..Hα-helixtrans-67.7-40.1-179.5-69.1-20.2000111.5G48 L53 R54 F78G48-D50 PolarHBondContact O-N 3Å; D50-L53 PolarHBondContact O-N 2.97Å; D50-R54 VanDerWaalsContact O-CB 3.27Å; D50-R54 WeakPolarHBondContact O-CB 3.48Å; D50-R54 PolarHBondContact O-N 3.15Å; D50-F78 HydrophobicContact CB-CB 4.46Å
51T97.4Very high96Very high68 Ų6850.1 Ų50.142%0.41729%0.293SS..Hα-helixtrans-61.6-47.4173.9-55.30000111G48 L53 R54 D55G48-T51 PolarHBondContact O-N 2.95Å; T51-L53 PolarHBondContact O-N 3.27Å; T51-R54 WeakPolarHBondContact O-CB 3.32Å; T51-R54 PolarHBondContact O-N 2.61Å; T51-D55 WeakPolarHBondContact O-CB 3.13Å; T51-D55 PolarHBondContact O-N 3.41Å
52A97.4Very high96Very high8 Ų846.5 Ų46.57%0.06629%0.287CS..Hα-helixtrans-63.6-42.5179.800000112.2F18 L45 G48 I49 R56F18-A52 HydrophobicContact CE1-CB 4.05Å; F18-A52 HydrophobicContact CZ-CB 4.11Å; F18-A52 WeakPolarHBondContact CZ-O 3.42Å; L45-A52 HydrophobicContact CD1-CB 3.81Å; L45-A52 HydrophobicContact CD2-CB 4.27Å; G48-A52 WeakPolarHBondContact O-CB 3.37Å; G48-A52 PolarHBondContact O-N 3.48Å; I49-A52 PolarHBondContact O-N 3.48Å; A52-R56 VanDerWaalsContact O-CB 3.3Å; A52-R56 WeakPolarHBondContact O-CB 3.42Å; A52-R56 PolarHBondContact O-N 2.85Å
53L98.1Very high96.1Very high1 Ų144.5 Ų44.51%0.00528%0.279CS..Hα-helixtrans-63.3-42.2175.4-75.5170.2000111.4F18 L36 R37 I49 D50 T51 R56 L57 F78F18-L53 HydrophobicContact CE2-CD2 3.93Å; F18-L53 HydrophobicContact CZ-CD2 4.38Å; L36-L53 HydrophobicContact CB-CD2 3.89Å; R37-L53 HydrophobicContact CG-CD1 4.37Å; R37-L53 HydrophobicContact CG-CD2 4.27Å; I49-L53 HydrophobicContact CG1-CD1 3.95Å; I49-L53 HydrophobicContact CG1-CG 4.31Å; I49-L53 WeakPolarHBondContact O-CB 3.45Å; I49-L53 VanDerWaalsContact O-CG 3.29Å; I49-L53 WeakPolarHBondContact O-CG 3.33Å; I49-L53 PolarHBondContact O-N 3.49Å; D50-L53 PolarHBondContact O-N 2.97Å; T51-L53 PolarHBondContact O-N 3.27Å; L53-R56 PolarHBondContact O-N 2.94Å; L53-L57 VanDerWaalsContact O-CB 3.25Å; L53-L57 WeakPolarHBondContact O-CB 3.33Å; L53-L57 PolarHBondContact O-N 2.86Å; L53-F78 HydrophobicContact CB-CD2 3.49Å; L53-F78 VanDerWaalsContact CB-CD2 3.49Å; L53-F78 HydrophobicContact CB-CE2 3.74Å; L53-F78 HydrophobicContact CB-CG 4.07Å
54R97.7Very high96.1Very high58 Ų5850 Ų5022%0.21930%0.304CS..Hα-helixtrans-61.3-53.2177.3179.5-160.268.2-1763.4110.7D50 T51 R56 L57 V58 V75 G76 F78 A81D50-R54 VanDerWaalsContact O-CB 3.27Å; D50-R54 WeakPolarHBondContact O-CB 3.48Å; D50-R54 PolarHBondContact O-N 3.15Å; T51-R54 WeakPolarHBondContact O-CB 3.32Å; T51-R54 PolarHBondContact O-N 2.61Å; R54-R56 VanDerWaalsContact C-N 3.25Å; R54-R56 PolarHBondContact O-N 3.28Å; R54-L57 PolarHBondContact O-N 2.89Å; R54-V58 HydrophobicContact CG-CG2 4.46Å; R54-V58 WeakPolarHBondContact O-CG2 3.45Å; R54-V58 PolarHBondContact O-N 3.21Å; R54-V75 WeakPolarHBondContact CD-O 3.3Å; R54-G76 PolarHBondContact NH1-O 3.23Å; R54-F78 HydrophobicContact CB-CB 4.11Å; R54-F78 HydrophobicContact CB-CD2 4.42Å; R54-A81 HydrophobicContact CG-CB 4.39Å
55D97Very high96.2Very high71 Ų7147.8 Ų47.838%0.3830%0.301SS..Hα-helixtrans-61.2-40-177.4-65.3-5.3000110.5T51 C59T51-D55 WeakPolarHBondContact O-CB 3.13Å; T51-D55 PolarHBondContact O-N 3.41Å; D55-C59 VanDerWaalsContact O-CB 3.31Å; D55-C59 WeakPolarHBondContact O-CB 3.42Å; D55-C59 PolarHBondContact O-N 3.47Å; D55-C59 VanDerWaalsContact O-N 3.08Å; D55-C59 PolarHBondContact O-SG 2.76Å; D55-C59 VanDerWaalsContact O-SG 3.33Å
56R97.4Very high96.3Very high33 Ų3346.7 Ų46.713%0.12530%0.296CS..Hα-helixtrans-70.7-39177.3-168.266.7-158.1156.25.1113F18 Y19 R21 D22 L36 A52 L53 R54 S60F18-R56 HydrophobicContact CE1-CB 4.15Å; F18-R56 HydrophobicContact CE1-CG 4.45Å; F18-R56 HydrophobicContact CZ-CB 3.83Å; F18-R56 HydrophobicContact CZ-CG 4.25Å; F18-R56 PolarHBondContact O-NE 2.91Å; Y19-R56 PolarHBondContact O-NH1 2.9Å; R21-R56 VanDerWaalsContact O-CZ 3.23Å; R21-R56 PolarHBondContact O-NE 3.49Å; R21-R56 PolarHBondContact O-NH2 2.9Å; D22-R56 VanDerWaalsContact CG-NH2 3.26Å; D22-R56 IonicContact OD1-CZ 2.9Å; D22-R56 IonicContact OD1-NH2 3.49Å; D22-R56 PolarHBondContact OD1-NH2 2.84Å; D22-R56 IonicContact OD2-NH2 2.63Å; L36-R56 HydrophobicContact CD1-CB 4.31Å; L36-R56 HydrophobicContact CD1-CG 4.08Å; L36-R56 HydrophobicContact CD2-CB 4.45Å; L36-R56 HydrophobicContact CD2-CG 3.54Å; L36-R56 HydrophobicContact CG-CG 4.47Å; A52-R56 VanDerWaalsContact O-CB 3.3Å; A52-R56 WeakPolarHBondContact O-CB 3.42Å; A52-R56 PolarHBondContact O-N 2.85Å; L53-R56 PolarHBondContact O-N 2.94Å; R54-R56 VanDerWaalsContact C-N 3.25Å; R54-R56 PolarHBondContact O-N 3.28Å; R56-S60 PolarHBondContact NE-OG 3.17Å; R56-S60 PolarHBondContact NH1-OG 3.24Å; R56-S60 PolarHBondContact NH2-OG 3.13Å; R56-S60 WeakPolarHBondContact O-CB 3.23Å; R56-S60 PolarHBondContact O-N 3.08Å; R56-S60 PolarHBondContact O-OG 2.92Å
57L97.9Very high96.4Very high0 Ų046.4 Ų46.40%028%0.278CS..Hα-helixtrans-62.2-50.1175.1173.960.1000110.9F32 V33 L36 L53 R54 I61 F78 A81 L82F32-L57 HydrophobicContact CD1-CD1 3.97Å; F32-L57 HydrophobicContact CE1-CD1 3.88Å; V33-L57 HydrophobicContact CG2-CD1 3.85Å; V33-L57 HydrophobicContact CG2-CD2 4.35Å; L36-L57 HydrophobicContact CD1-CB 4.45Å; L53-L57 VanDerWaalsContact O-CB 3.25Å; L53-L57 WeakPolarHBondContact O-CB 3.33Å; L53-L57 PolarHBondContact O-N 2.86Å; R54-L57 PolarHBondContact O-N 2.89Å; L57-I61 PolarHBondContact O-N 3Å; L57-F78 HydrophobicContact CB-CE2 4.22Å; L57-F78 HydrophobicContact CD2-CD2 4.31Å; L57-F78 HydrophobicContact CD2-CE2 3.77Å; L57-F78 HydrophobicContact CD2-CZ 4.38Å; L57-A81 HydrophobicContact CD2-CB 4.05Å; L57-L82 HydrophobicContact CD2-CB 4.25Å
58V97.2Very high96.6Very high9 Ų947.3 Ų47.36%0.05526%0.262CS..Hα-helixtrans-64.2-50.3-175.7173.70000111.1R54 S60 L70 L71 V75 A81R54-V58 HydrophobicContact CG-CG2 4.46Å; R54-V58 WeakPolarHBondContact O-CG2 3.45Å; R54-V58 PolarHBondContact O-N 3.21Å; V58-S60 PolarHBondContact O-N 3.09Å; V58-L70 HydrophobicContact CG1-CB 3.98Å; V58-L70 HydrophobicContact CG2-CB 4.31Å; V58-L70 HydrophobicContact CG2-CD1 4.32Å; V58-L71 HydrophobicContact CG1-CD2 3.7Å; V58-L71 HydrophobicContact CG1-CG 4.01Å; V58-V75 HydrophobicContact CG2-CG2 3.74Å; V58-A81 HydrophobicContact CG2-CB 4.14Å
59C96.1Very high96.6Very high71 Ų7151 Ų5148%0.4827%0.267SS..THydrogen-bonded Turntrans-80.85-173.1-61.50000114.5D55D55-C59 VanDerWaalsContact O-CB 3.31Å; D55-C59 WeakPolarHBondContact O-CB 3.42Å; D55-C59 PolarHBondContact O-N 3.47Å; D55-C59 VanDerWaalsContact O-N 3.08Å; D55-C59 PolarHBondContact O-SG 2.76Å; D55-C59 VanDerWaalsContact O-SG 3.33Å
60S97.1Very high96.6Very high7 Ų748.2 Ų48.25%0.04925%0.253CS..THydrogen-bonded Turntrans-144.812.4-170.9-48.60000113.9D22 Q23 R56 V58D22-S60 WeakPolarHBondContact OD1-CB 3.45Å; D22-S60 PolarHBondContact OD1-OG 3.17Å; Q23-S60 VanDerWaalsContact CB-O 3.3Å; Q23-S60 WeakPolarHBondContact CB-O 3.37Å; Q23-S60 PolarHBondContact N-O 3.42Å; R56-S60 PolarHBondContact NE-OG 3.17Å; R56-S60 PolarHBondContact NH1-OG 3.24Å; R56-S60 PolarHBondContact NH2-OG 3.13Å; R56-S60 WeakPolarHBondContact O-CB 3.23Å; R56-S60 PolarHBondContact O-N 3.08Å; R56-S60 PolarHBondContact O-OG 2.92Å; V58-S60 PolarHBondContact O-N 3.09Å
61I96.8Very high96.5Very high9 Ų948.2 Ų48.25%0.04625%0.252CS..  trans-71.6141168.6-158.6161.4000109.3I29 L57 D63 L66 E67 A85I29-I61 HydrophobicContact CD1-CD1 4Å; I29-I61 HydrophobicContact CG1-CD1 4.24Å; L57-I61 PolarHBondContact O-N 3Å; I61-D63 VanDerWaalsContact C-N 3.34Å; I61-L66 HydrophobicContact CD1-CD2 3.31Å; I61-L66 HydrophobicContact CD1-CG 3.98Å; I61-L66 HydrophobicContact CG1-CD2 4.35Å; I61-E67 HydrophobicContact CG2-CB 3.68Å; I61-E67 HydrophobicContact CG2-CG 4.46Å; I61-A85 HydrophobicContact CD1-CB 4Å
62A96.9Very high96.4Very high59 Ų5950.4 Ų50.449%0.48827%0.265SS..SBendtrans-77.2-21.9-175.100000113Q23 E64Q23-A62 HydrophobicContact CB-CB 4.13Å; Q23-A62 HydrophobicContact CG-CB 4.09Å; A62-E64 PolarHBondContact O-N 3.41Å
63D95.3Very high96.2Very high34 Ų3455.7 Ų55.718%0.18229%0.289CS..  trans-82.496.6176.7-172.2-24.1000110.3I61 A65 L66 E67 R92I61-D63 VanDerWaalsContact C-N 3.34Å; D63-A65 PolarHBondContact O-N 3.43Å; D63-A65 VanDerWaalsContact O-N 3.17Å; D63-A65 WeakPolarHBondContact OD1-CB 3.47Å; D63-A65 PolarHBondContact OD1-N 3.28Å; D63-L66 HydrophobicContact CB-CB 3.92Å; D63-L66 PolarHBondContact O-N 3.38Å; D63-L66 VanDerWaalsContact O-N 3.13Å; D63-L66 PolarHBondContact OD1-N 2.95Å; D63-E67 PolarHBondContact O-N 3Å; D63-R92 IonicContact OD2-CZ 3.63Å; D63-R92 IonicContact OD2-NH1 3.62Å; D63-R92 PolarHBondContact OD2-NH1 2.87Å
64E95.3Very high95.9Very high115 Ų11563.6 Ų63.654%0.53733%0.325SS..Hα-helixtrans-57.3-29.2-179.9-62.9-177.5-167.800113.7A62 R68A62-E64 PolarHBondContact O-N 3.41Å; E64-R68 WeakPolarHBondContact O-CB 3.4Å; E64-R68 VanDerWaalsContact O-CG 3.23Å; E64-R68 WeakPolarHBondContact O-CG 3.4Å; E64-R68 PolarHBondContact O-N 3.12Å; E64-R68 VanDerWaalsContact O-N 3.09Å; E64-R68 IonicContact OE2-CZ 3.65Å; E64-R68 IonicContact OE2-NH1 3.47Å; E64-R68 IonicContact OE2-NH2 2.8Å; E64-R68 PolarHBondContact OE2-NH2 3.24Å
65A94.6Very high95.5Very high62 Ų6261.5 Ų61.551%0.51232%0.319SS..Hα-helixtrans-73-41.2179.500000110.6D63 W69D63-A65 PolarHBondContact O-N 3.43Å; D63-A65 VanDerWaalsContact O-N 3.17Å; D63-A65 WeakPolarHBondContact OD1-CB 3.47Å; D63-A65 PolarHBondContact OD1-N 3.28Å; A65-W69 WeakPolarHBondContact O-CB 3.43Å; A65-W69 PolarHBondContact O-N 3.13Å; A65-W69 VanDerWaalsContact O-N 3.08Å
66L95Very high95.1Very high7 Ų760.5 Ų60.54%0.03733%0.326CS..Hα-helixtrans-67-43.1173.8176.656.8000111.7I29 I61 D63 R68 W69 L70 A85 T88I29-L66 HydrophobicContact CD1-CD2 4.24Å; I61-L66 HydrophobicContact CD1-CD2 3.31Å; I61-L66 HydrophobicContact CD1-CG 3.98Å; I61-L66 HydrophobicContact CG1-CD2 4.35Å; D63-L66 HydrophobicContact CB-CB 3.92Å; D63-L66 PolarHBondContact O-N 3.38Å; D63-L66 VanDerWaalsContact O-N 3.13Å; D63-L66 PolarHBondContact OD1-N 2.95Å; L66-R68 PolarHBondContact O-N 2.98Å; L66-W69 HydrophobicContact CD1-CE3 4.13Å; L66-W69 PolarHBondContact O-N 3.3Å; L66-L70 HydrophobicContact CD1-CD1 4.01Å; L66-L70 HydrophobicContact CD1-CG 3.98Å; L66-L70 HydrophobicContact CG-CD1 3.98Å; L66-L70 HydrophobicContact CG-CG 4.41Å; L66-L70 WeakPolarHBondContact O-CG 3.35Å; L66-L70 PolarHBondContact O-N 3.38Å; L66-A85 HydrophobicContact CD2-CB 4.03Å; L66-T88 HydrophobicContact CB-CG2 4.44Å; L66-T88 HydrophobicContact CD1-CG2 4.24Å; L66-T88 HydrophobicContact CD2-CG2 4.19Å
67E96.3Very high95Very high53 Ų5362.4 Ų62.425%0.24834%0.341CS..Hα-helixtrans-53.5-54.5173.6178.6-178.8-154.200110.9I61 D63 W69 L70 L71I61-E67 HydrophobicContact CG2-CB 3.68Å; I61-E67 HydrophobicContact CG2-CG 4.46Å; D63-E67 PolarHBondContact O-N 3Å; E67-W69 VanDerWaalsContact C-N 3.27Å; E67-W69 PolarHBondContact O-N 2.87Å; E67-L70 PolarHBondContact O-N 3.31Å; E67-L71 HydrophobicContact CG-CD1 3.97Å; E67-L71 HydrophobicContact CG-CG 4.49Å; E67-L71 WeakPolarHBondContact O-CG 3.48Å; E67-L71 PolarHBondContact O-N 3.41Å
68R96.4Very high95Very high149 Ų14962.5 Ų62.556%0.56234%0.342SS*.Hα-helixtrans-57.5-41.6179.1-73.2174.2-166.2128.810.8111.8E64 L66 L71 V72E64-R68 WeakPolarHBondContact O-CB 3.4Å; E64-R68 VanDerWaalsContact O-CG 3.23Å; E64-R68 WeakPolarHBondContact O-CG 3.4Å; E64-R68 PolarHBondContact O-N 3.12Å; E64-R68 VanDerWaalsContact O-N 3.09Å; E64-R68 IonicContact OE2-CZ 3.65Å; E64-R68 IonicContact OE2-NH1 3.47Å; E64-R68 IonicContact OE2-NH2 2.8Å; E64-R68 PolarHBondContact OE2-NH2 3.24Å; L66-R68 PolarHBondContact O-N 2.98Å; R68-L71 PolarHBondContact O-N 3.02Å; R68-V72 VanDerWaalsContact O-CG2 3.32Å; R68-V72 WeakPolarHBondContact O-CG2 3.47Å; R68-V72 PolarHBondContact O-N 3.34Å; R68-V72 VanDerWaalsContact O-N 3.09Å
69W94.9Very high95Very high106 Ų10667.3 Ų67.340%0.40237%0.367SS..Hα-helixtrans-64.7-47178.5-179.782.8000112A65 L66 E67 L71 V72 E73 E84A65-W69 WeakPolarHBondContact O-CB 3.43Å; A65-W69 PolarHBondContact O-N 3.13Å; A65-W69 VanDerWaalsContact O-N 3.08Å; L66-W69 HydrophobicContact CD1-CE3 4.13Å; L66-W69 PolarHBondContact O-N 3.3Å; E67-W69 VanDerWaalsContact C-N 3.27Å; E67-W69 PolarHBondContact O-N 2.87Å; W69-L71 VanDerWaalsContact C-N 3.29Å; W69-L71 PolarHBondContact O-N 3.38Å; W69-V72 PolarHBondContact O-N 3.02Å; W69-E73 HydrophobicContact CH2-CG 4.47Å; W69-E73 HydrophobicContact CZ2-CG 4.48Å; W69-E73 PolarHBondContact O-N 2.94Å; W69-E84 HydrophobicContact CH2-CB 3.87Å; W69-E84 HydrophobicContact CH2-CG 3.6Å; W69-E84 HydrophobicContact CZ3-CB 3.5Å; W69-E84 VanDerWaalsContact CZ3-CB 3.5Å; W69-E84 HydrophobicContact CZ3-CG 3.72Å
70L96.1Very high95.1Very high1 Ų167.1 Ų67.11%0.00536%0.363CS..Hα-helixtrans-60.5-38.2177.6-71.4169000112.3V58 L66 E67 Q74 V75 E84V58-L70 HydrophobicContact CG1-CB 3.98Å; V58-L70 HydrophobicContact CG2-CB 4.31Å; V58-L70 HydrophobicContact CG2-CD1 4.32Å; L66-L70 HydrophobicContact CD1-CD1 4.01Å; L66-L70 HydrophobicContact CD1-CG 3.98Å; L66-L70 HydrophobicContact CG-CD1 3.98Å; L66-L70 HydrophobicContact CG-CG 4.41Å; L66-L70 WeakPolarHBondContact O-CG 3.35Å; L66-L70 PolarHBondContact O-N 3.38Å; E67-L70 PolarHBondContact O-N 3.31Å; L70-Q74 PolarHBondContact O-N 3.26Å; L70-V75 HydrophobicContact CB-CG2 4.43Å; L70-V75 HydrophobicContact CD2-CG1 3.71Å; L70-V75 HydrophobicContact CD2-CG2 4.25Å; L70-E84 HydrophobicContact CD2-CB 4.25Å
71L95.7Very high95.1Very high92 Ų9266.8 Ų66.848%0.48236%0.361SS..Hα-helixtrans-66.8-39.4176.2-70.7172.2000112.4V58 E67 R68 W69 Q74V58-L71 HydrophobicContact CG1-CD2 3.7Å; V58-L71 HydrophobicContact CG1-CG 4.01Å; E67-L71 HydrophobicContact CG-CD1 3.97Å; E67-L71 HydrophobicContact CG-CG 4.49Å; E67-L71 WeakPolarHBondContact O-CG 3.48Å; E67-L71 PolarHBondContact O-N 3.41Å; R68-L71 PolarHBondContact O-N 3.02Å; W69-L71 VanDerWaalsContact C-N 3.29Å; W69-L71 PolarHBondContact O-N 3.38Å; L71-Q74 PolarHBondContact O-N 2.88Å
72V96Very high95.1Very high114 Ų11467.9 Ų67.969%0.69137%0.367SS*.Hα-helixtrans-69.3-43.1177.3169.30000111.5R68 W69 Q74R68-V72 VanDerWaalsContact O-CG2 3.32Å; R68-V72 WeakPolarHBondContact O-CG2 3.47Å; R68-V72 PolarHBondContact O-N 3.34Å; R68-V72 VanDerWaalsContact O-N 3.09Å; W69-V72 PolarHBondContact O-N 3.02Å; V72-Q74 PolarHBondContact O-N 3.39Å
73E92.8Very high95.2Very high119 Ų11972 Ų7256%0.55637%0.373SS*.Hα-helixtrans-67.4-17.5179.1-169.258.8-152.100112.4W69 V75W69-E73 HydrophobicContact CH2-CG 4.47Å; W69-E73 HydrophobicContact CZ2-CG 4.48Å; W69-E73 PolarHBondContact O-N 2.94Å; E73-V75 HydrophobicContact CB-CG1 4.3Å; E73-V75 HydrophobicContact CG-CG1 4.25Å; E73-V75 PolarHBondContact O-N 3.04Å
74Q91.4Very high95.2Very high166 Ų16673.1 Ų73.178%0.77638%0.378SS*.THydrogen-bonded Turntrans54.250.9-177.2-63.1172.761.900111.7L70 L71 V72 G76L70-Q74 PolarHBondContact O-N 3.26Å; L71-Q74 PolarHBondContact O-N 2.88Å; V72-Q74 PolarHBondContact O-N 3.39Å; Q74-G76 PolarHBondContact O-N 3.5Å; Q74-G76 VanDerWaalsContact O-N 3.12Å
75V89.3Confident95.3Very high14 Ų1467.7 Ų67.79%0.08535%0.352CS..  trans-50120.7-177-70.20000111.7R54 V58 L70 E73 V80 A81R54-V75 WeakPolarHBondContact CD-O 3.3Å; V58-V75 HydrophobicContact CG2-CG2 3.74Å; L70-V75 HydrophobicContact CB-CG2 4.43Å; L70-V75 HydrophobicContact CD2-CG1 3.71Å; L70-V75 HydrophobicContact CD2-CG2 4.25Å; E73-V75 HydrophobicContact CB-CG1 4.3Å; E73-V75 HydrophobicContact CG-CG1 4.25Å; E73-V75 PolarHBondContact O-N 3.04Å; V75-V80 HydrophobicContact CB-CG1 4.31Å; V75-V80 HydrophobicContact CG1-CG1 4.02Å; V75-A81 HydrophobicContact CB-CB 4.38Å; V75-A81 HydrophobicContact CG2-CB 3.91Å
76G88.8Confident95.4Very high51 Ų5167.5 Ų67.553%0.52634%0.343SS..  trans-78.6-28.5-169.800000114.4R54 Q74R54-G76 PolarHBondContact NH1-O 3.23Å; Q74-G76 PolarHBondContact O-N 3.5Å; Q74-G76 VanDerWaalsContact O-N 3.12Å
77T96.2Very high95.4Very high72 Ų7269.6 Ų69.644%0.44236%0.361SS..SBendtrans-133.5159-172.769.40000112.1D79 V80 A81T77-D79 VanDerWaalsContact C-N 3.33Å; T77-D79 PolarHBondContact O-N 3.41Å; T77-V80 PolarHBondContact O-N 3.24Å; T77-V80 VanDerWaalsContact OG1-CG2 3.3Å; T77-V80 WeakPolarHBondContact OG1-CG2 3.4Å; T77-V80 PolarHBondContact OG1-N 3.08Å; T77-A81 PolarHBondContact O-N 3.22Å
78F97.5Very high95.3Very high3 Ų369.1 Ų69.11%0.01336%0.361CS..Hα-helixtrans-59.2-43.2174.6178.1-100000112.2V33 D50 L53 R54 L57 V80 A81 L82V33-F78 HydrophobicContact CG1-CE1 4.44Å; V33-F78 HydrophobicContact CG1-CZ 3.67Å; V33-F78 HydrophobicContact CG2-CZ 4.35Å; D50-F78 HydrophobicContact CB-CB 4.46Å; L53-F78 HydrophobicContact CB-CD2 3.49Å; L53-F78 VanDerWaalsContact CB-CD2 3.49Å; L53-F78 HydrophobicContact CB-CE2 3.74Å; L53-F78 HydrophobicContact CB-CG 4.07Å; R54-F78 HydrophobicContact CB-CB 4.11Å; R54-F78 HydrophobicContact CB-CD2 4.42Å; L57-F78 HydrophobicContact CB-CE2 4.22Å; L57-F78 HydrophobicContact CD2-CD2 4.31Å; L57-F78 HydrophobicContact CD2-CE2 3.77Å; L57-F78 HydrophobicContact CD2-CZ 4.38Å; F78-V80 PolarHBondContact O-N 3.21Å; F78-A81 PolarHBondContact O-N 2.96Å; F78-L82 HydrophobicContact CE1-CB 4.21Å; F78-L82 HydrophobicContact CE1-CD2 3.77Å; F78-L82 HydrophobicContact CZ-CB 4.31Å; F78-L82 HydrophobicContact CZ-CD2 4.12Å; F78-L82 WeakPolarHBondContact O-CB 3.47Å; F78-L82 PolarHBondContact O-N 2.92Å
79D97.5Very high95.2Very high110 Ų11065.2 Ų65.259%0.58835%0.35SS*.Hα-helixtrans-63.5-39.4-177.9-66.5-27.2000112.8T77 K83T77-D79 VanDerWaalsContact C-N 3.33Å; T77-D79 PolarHBondContact O-N 3.41Å; D79-K83 VanDerWaalsContact O-CB 3.31Å; D79-K83 WeakPolarHBondContact O-CB 3.25Å; D79-K83 PolarHBondContact O-N 3.17Å
80V96.8Very high95.1Very high66 Ų6663.7 Ų63.740%0.435%0.352SS..Hα-helixtrans-64.8-49175.7172.70000109.8V75 T77 F78 L82 K83 E84V75-V80 HydrophobicContact CB-CG1 4.31Å; V75-V80 HydrophobicContact CG1-CG1 4.02Å; T77-V80 PolarHBondContact O-N 3.24Å; T77-V80 VanDerWaalsContact OG1-CG2 3.3Å; T77-V80 WeakPolarHBondContact OG1-CG2 3.4Å; T77-V80 PolarHBondContact OG1-N 3.08Å; F78-V80 PolarHBondContact O-N 3.21Å; V80-L82 VanDerWaalsContact C-N 3.33Å; V80-L82 PolarHBondContact O-N 3.23Å; V80-K83 PolarHBondContact O-N 3.36Å; V80-E84 WeakPolarHBondContact O-CG 3.18Å; V80-E84 PolarHBondContact O-N 2.91Å; V80-E84 VanDerWaalsContact O-N 3.13Å
81A97.3Very high94.8Very high0 Ų065.9 Ų65.90%037%0.37CS..Hα-helixtrans-57.7-45.917800000111.9R54 L57 V58 V75 T77 F78 A85R54-A81 HydrophobicContact CG-CB 4.39Å; L57-A81 HydrophobicContact CD2-CB 4.05Å; V58-A81 HydrophobicContact CG2-CB 4.14Å; V75-A81 HydrophobicContact CB-CB 4.38Å; V75-A81 HydrophobicContact CG2-CB 3.91Å; T77-A81 PolarHBondContact O-N 3.22Å; F78-A81 PolarHBondContact O-N 2.96Å; A81-A85 WeakPolarHBondContact O-CB 3.37Å; A81-A85 PolarHBondContact O-N 3.49Å
82L98Very high94.2Very high32 Ų3268.4 Ų68.417%0.16837%0.374CS..Hα-helixtrans-62.5-45.5179.2178.658.4000112.2I29 V33 L57 F78 V80 A85 L86I29-L82 HydrophobicContact CG2-CD1 4.21Å; V33-L82 HydrophobicContact CB-CD1 4.42Å; V33-L82 HydrophobicContact CG1-CD1 4.34Å; V33-L82 HydrophobicContact CG1-CD2 4.45Å; V33-L82 HydrophobicContact CG2-CD1 3.75Å; L57-L82 HydrophobicContact CD2-CB 4.25Å; F78-L82 HydrophobicContact CE1-CB 4.21Å; F78-L82 HydrophobicContact CE1-CD2 3.77Å; F78-L82 HydrophobicContact CZ-CB 4.31Å; F78-L82 HydrophobicContact CZ-CD2 4.12Å; F78-L82 WeakPolarHBondContact O-CB 3.47Å; F78-L82 PolarHBondContact O-N 2.92Å; V80-L82 VanDerWaalsContact C-N 3.33Å; V80-L82 PolarHBondContact O-N 3.23Å; L82-A85 PolarHBondContact O-N 2.96Å; L82-L86 HydrophobicContact CD1-CD1 3.79Å; L82-L86 HydrophobicContact CD1-CG 3.96Å; L82-L86 HydrophobicContact CG-CD1 3.88Å; L82-L86 HydrophobicContact CG-CG 4.45Å; L82-L86 WeakPolarHBondContact O-CB 3.42Å; L82-L86 WeakPolarHBondContact O-CG 3.31Å; L82-L86 PolarHBondContact O-N 2.99Å
83K97.2Very high93.3Very high145 Ų14566 Ų6663%0.6336%0.36SS*.Hα-helixtrans-60-48.6-179.5-178.3-172.4173.9-164.60111.5D79 V80 A85 L86 A87D79-K83 VanDerWaalsContact O-CB 3.31Å; D79-K83 WeakPolarHBondContact O-CB 3.25Å; D79-K83 PolarHBondContact O-N 3.17Å; V80-K83 PolarHBondContact O-N 3.36Å; K83-A85 VanDerWaalsContact C-N 3.33Å; K83-L86 PolarHBondContact O-N 3.3Å; K83-A87 VanDerWaalsContact O-CB 3.32Å; K83-A87 WeakPolarHBondContact O-CB 3.17Å; K83-A87 PolarHBondContact O-N 3.5Å
84E96Very high92.4Very high59 Ų5965.4 Ų65.428%0.27636%0.358SS..Hα-helixtrans-67.2-37.7-179.1-62.8-57.8145.900111.9W69 L70 V80 A87 T88W69-E84 HydrophobicContact CH2-CB 3.87Å; W69-E84 HydrophobicContact CH2-CG 3.6Å; W69-E84 HydrophobicContact CZ3-CB 3.5Å; W69-E84 VanDerWaalsContact CZ3-CB 3.5Å; W69-E84 HydrophobicContact CZ3-CG 3.72Å; L70-E84 HydrophobicContact CD2-CB 4.25Å; V80-E84 WeakPolarHBondContact O-CG 3.18Å; V80-E84 PolarHBondContact O-N 2.91Å; V80-E84 VanDerWaalsContact O-N 3.13Å; E84-A87 PolarHBondContact O-N 3.48Å; E84-T88 WeakPolarHBondContact O-CB 3.15Å; E84-T88 PolarHBondContact O-N 3.05Å; E84-T88 PolarHBondContact O-OG1 3.09Å
85A96.7Very high91.6Very high0 Ų059.2 Ų59.20%033%0.334CS..Hα-helixtrans-62.9-49.2177.100000111.4I29 I61 L66 A81 L82 K83 A87 T88 E89I29-A85 VanDerWaalsContact CD1-C 3.48Å; I29-A85 HydrophobicContact CD1-CB 3.9Å; I29-A85 WeakPolarHBondContact CD1-O 3.43Å; I29-A85 HydrophobicContact CG2-CB 4Å; I61-A85 HydrophobicContact CD1-CB 4Å; L66-A85 HydrophobicContact CD2-CB 4.03Å; A81-A85 WeakPolarHBondContact O-CB 3.37Å; A81-A85 PolarHBondContact O-N 3.49Å; L82-A85 PolarHBondContact O-N 2.96Å; K83-A85 VanDerWaalsContact C-N 3.33Å; A85-A87 PolarHBondContact O-N 3.35Å; A85-T88 PolarHBondContact O-N 3Å; A85-E89 PolarHBondContact O-N 3.49Å
86L97.3Very high90.9Very high59 Ų5963.9 Ų63.931%0.30936%0.358SS..Hα-helixtrans-63.8-39.3176-70.2170.9000112.8I29 A30 L82 K83 T88 E89 T90I29-L86 HydrophobicContact CB-CD2 4.14Å; I29-L86 HydrophobicContact CG2-CD2 4Å; I29-L86 HydrophobicContact CG2-CG 4.29Å; A30-L86 HydrophobicContact CB-CD2 4.43Å; L82-L86 HydrophobicContact CD1-CD1 3.79Å; L82-L86 HydrophobicContact CD1-CG 3.96Å; L82-L86 HydrophobicContact CG-CD1 3.88Å; L82-L86 HydrophobicContact CG-CG 4.45Å; L82-L86 WeakPolarHBondContact O-CB 3.42Å; L82-L86 WeakPolarHBondContact O-CG 3.31Å; L82-L86 PolarHBondContact O-N 2.99Å; K83-L86 PolarHBondContact O-N 3.3Å; L86-T88 VanDerWaalsContact C-N 3.31Å; L86-T88 PolarHBondContact O-N 3.13Å; L86-E89 PolarHBondContact O-N 3.48Å; L86-T90 WeakPolarHBondContact O-CB 3.46Å; L86-T90 PolarHBondContact O-N 3.42Å; L86-T90 PolarHBondContact O-OG1 2.88Å
87A95.7Very high90.2Very high50 Ų5067.7 Ų67.741%0.41336%0.362SS..Hα-helixtrans-61.8-42.217600000111.1K83 E84 A85 T90 A91K83-A87 VanDerWaalsContact O-CB 3.32Å; K83-A87 WeakPolarHBondContact O-CB 3.17Å; K83-A87 PolarHBondContact O-N 3.5Å; E84-A87 PolarHBondContact O-N 3.48Å; A85-A87 PolarHBondContact O-N 3.35Å; A87-T90 PolarHBondContact O-N 3.47Å; A87-A91 WeakPolarHBondContact O-CB 3.48Å; A87-A91 PolarHBondContact O-N 2.96Å
88T94.3Very high89.2Confident43 Ų4369.5 Ų69.526%0.26437%0.373SS..Hα-helixtrans-66.8-45.9178.5-58.70000111.9L66 E84 A85 L86 T90 A91 R92L66-T88 HydrophobicContact CB-CG2 4.44Å; L66-T88 HydrophobicContact CD1-CG2 4.24Å; L66-T88 HydrophobicContact CD2-CG2 4.19Å; E84-T88 WeakPolarHBondContact O-CB 3.15Å; E84-T88 PolarHBondContact O-N 3.05Å; E84-T88 PolarHBondContact O-OG1 3.09Å; A85-T88 PolarHBondContact O-N 3Å; L86-T88 VanDerWaalsContact C-N 3.31Å; L86-T88 PolarHBondContact O-N 3.13Å; T88-T90 VanDerWaalsContact C-N 3.29Å; T88-T90 PolarHBondContact O-N 3.06Å; T88-A91 PolarHBondContact O-N 3.43Å; T88-R92 WeakPolarHBondContact O-CG 3.32Å; T88-R92 PolarHBondContact O-N 3.47Å; T88-R92 VanDerWaalsContact O-N 3.1Å
89E94Very high88.1Confident68 Ų6879.7 Ų79.732%0.31841%0.412SS..Hα-helixtrans-57.9-42.5176-179.8179.975.600111.7S28 I29 A85 L86 P93S28-E89 WeakPolarHBondContact CA-OE2 3.46Å; I29-E89 HydrophobicContact CD1-CB 3.67Å; I29-E89 HydrophobicContact CD1-CG 4.38Å; I29-E89 WeakPolarHBondContact CG1-OE2 3.32Å; I29-E89 PolarHBondContact N-OE2 3.32Å; A85-E89 PolarHBondContact O-N 3.49Å; L86-E89 PolarHBondContact O-N 3.48Å; E89-P93 WeakPolarHBondContact O-CD 3.42Å
90T92Very high86.6Confident73 Ų7379.7 Ų79.745%0.44842%0.416SS..Hα-helixtrans-71.6-36.5178.5-56.10000112.5L86 A87 T88 P93 Q94L86-T90 WeakPolarHBondContact O-CB 3.46Å; L86-T90 PolarHBondContact O-N 3.42Å; L86-T90 PolarHBondContact O-OG1 2.88Å; A87-T90 PolarHBondContact O-N 3.47Å; T88-T90 VanDerWaalsContact C-N 3.29Å; T88-T90 PolarHBondContact O-N 3.06Å; T90-P93 WeakPolarHBondContact O-CD 3.44Å; T90-P93 WeakPolarHBondContact O-CG 3.46Å; T90-Q94 WeakPolarHBondContact O-CG 3.49Å
91A90.8Very high84.3Confident48 Ų4878.6 Ų78.640%0.39742%0.418SS..Hα-helixtrans-74.2-29.4-177.300000113.4A87 T88 Q94 A95A87-A91 WeakPolarHBondContact O-CB 3.48Å; A87-A91 PolarHBondContact O-N 2.96Å; T88-A91 PolarHBondContact O-N 3.43Å; A91-Q94 PolarHBondContact O-N 2.9Å; A91-A95 VanDerWaalsContact O-CB 3.26Å; A91-A95 WeakPolarHBondContact O-CB 3.31Å; A91-A95 PolarHBondContact O-N 3.27Å
92R81.8Confident81.9Confident145 Ų14581.6 Ų81.655%0.54745%0.449SS..Hα-helixtrans-56.1-54.1-179.5-77.9178.770.7179.4-3.3113.9D63 T88 A95 L96D63-R92 IonicContact OD2-CZ 3.63Å; D63-R92 IonicContact OD2-NH1 3.62Å; D63-R92 PolarHBondContact OD2-NH1 2.87Å; T88-R92 WeakPolarHBondContact O-CG 3.32Å; T88-R92 PolarHBondContact O-N 3.47Å; T88-R92 VanDerWaalsContact O-N 3.1Å; R92-A95 PolarHBondContact O-N 3.14Å; R92-L96 WeakPolarHBondContact O-CD1 3.44Å; R92-L96 PolarHBondContact O-N 3.49Å
93P78.8Confident79.3Confident63 Ų6383.1 Ų83.141%0.40947%0.473SS..Hα-helixtrans-64.4-39.9177.523.4-31.9000112E89 T90 A95 L96 E97E89-P93 WeakPolarHBondContact O-CD 3.42Å; T90-P93 WeakPolarHBondContact O-CD 3.44Å; T90-P93 WeakPolarHBondContact O-CG 3.46Å; P93-A95 VanDerWaalsContact C-N 3.33Å; P93-A95 PolarHBondContact O-N 3.39Å; P93-L96 WeakPolarHBondContact O-CB 3.29Å; P93-L96 PolarHBondContact O-N 3.17Å; P93-L96 VanDerWaalsContact O-N 3.14Å; P93-E97 WeakPolarHBondContact O-CG 3.27Å; P93-E97 PolarHBondContact O-N 3.48Å
94Q73.6Confident77Confident107 Ų10779.6 Ų79.650%0.546%0.463SS..Hα-helixtrans-64.3-37178.6-63.5179.914.700112.5T90 A91 L96 E97 T98T90-Q94 WeakPolarHBondContact O-CG 3.49Å; A91-Q94 PolarHBondContact O-N 2.9Å; Q94-L96 VanDerWaalsContact C-N 3.32Å; Q94-L96 PolarHBondContact O-N 3.5Å; Q94-E97 PolarHBondContact O-N 2.88Å; Q94-T98 WeakPolarHBondContact O-CB 3.49Å; Q94-T98 VanDerWaalsContact O-CG2 3.29Å; Q94-T98 WeakPolarHBondContact O-CG2 3.1Å; Q94-T98 PolarHBondContact O-N 3.27Å; Q94-T98 PolarHBondContact O-OG1 3.21Å
95A74.8Confident74.9Confident35 Ų3584.4 Ų84.429%0.28949%0.486SS..Hα-helixtrans-67.6-32.4175.500000112.2A91 R92 P93 T98 R99A91-A95 VanDerWaalsContact O-CB 3.26Å; A91-A95 WeakPolarHBondContact O-CB 3.31Å; A91-A95 PolarHBondContact O-N 3.27Å; R92-A95 PolarHBondContact O-N 3.14Å; P93-A95 VanDerWaalsContact C-N 3.33Å; P93-A95 PolarHBondContact O-N 3.39Å; A95-T98 WeakPolarHBondContact CA-OG1 3.45Å; A95-T98 PolarHBondContact O-OG1 3.25Å; A95-R99 VanDerWaalsContact O-CB 3.3Å; A95-R99 WeakPolarHBondContact O-CB 3.3Å; A95-R99 WeakPolarHBondContact O-CD 3.31Å; A95-R99 WeakPolarHBondContact O-CG 3.3Å; A95-R99 PolarHBondContact O-N 2.91Å
96L74.5Confident72.9Confident112 Ų11291.6 Ų91.659%0.58652%0.524SS*.Hα-helixtrans-68-51.2173.1-77.9149.4000110.2R92 P93 Q94 T98 R99 T100R92-L96 WeakPolarHBondContact O-CD1 3.44Å; R92-L96 PolarHBondContact O-N 3.49Å; P93-L96 WeakPolarHBondContact O-CB 3.29Å; P93-L96 PolarHBondContact O-N 3.17Å; P93-L96 VanDerWaalsContact O-N 3.14Å; Q94-L96 VanDerWaalsContact C-N 3.32Å; Q94-L96 PolarHBondContact O-N 3.5Å; L96-T98 VanDerWaalsContact C-N 3.33Å; L96-T98 PolarHBondContact O-N 2.85Å; L96-R99 PolarHBondContact O-N 2.88Å; L96-T100 WeakPolarHBondContact O-CG2 3.39Å; L96-T100 PolarHBondContact O-N 2.99Å; L96-T100 PolarHBondContact O-OG1 3.34Å
97E74Confident70.7Confident131 Ų13195.4 Ų95.461%0.61254%0.542SS*.Hα-helixtrans-57.9-42.6179.6-70172.7-176.700113P93 Q94 T100 G101P93-E97 WeakPolarHBondContact O-CG 3.27Å; P93-E97 PolarHBondContact O-N 3.48Å; Q94-E97 PolarHBondContact O-N 2.88Å; E97-T100 PolarHBondContact O-OG1 3.33Å; E97-G101 PolarHBondContact O-N 3.48Å
98T75.3Confident68.6Low110 Ų11099.5 Ų99.568%0.67555%0.553SS**Hα-helixtrans-69.6-34.5178.650.50000112.9Q94 A95 L96Q94-T98 WeakPolarHBondContact O-CB 3.49Å; Q94-T98 VanDerWaalsContact O-CG2 3.29Å; Q94-T98 WeakPolarHBondContact O-CG2 3.1Å; Q94-T98 PolarHBondContact O-N 3.27Å; Q94-T98 PolarHBondContact O-OG1 3.21Å; A95-T98 WeakPolarHBondContact CA-OG1 3.45Å; A95-T98 PolarHBondContact O-OG1 3.25Å; L96-T98 VanDerWaalsContact C-N 3.33Å; L96-T98 PolarHBondContact O-N 2.85Å
99R73Confident66.5Low217 Ų217102.2 Ų102.282%0.81957%0.565SS**Hα-helixtrans-82-36179.7-72.3174.8-174.6-163.22.9113.4A95 L96 G101A95-R99 VanDerWaalsContact O-CB 3.3Å; A95-R99 WeakPolarHBondContact O-CB 3.3Å; A95-R99 WeakPolarHBondContact O-CD 3.31Å; A95-R99 WeakPolarHBondContact O-CG 3.3Å; A95-R99 PolarHBondContact O-N 2.91Å; L96-R99 PolarHBondContact O-N 2.88Å; R99-G101 PolarHBondContact O-N 2.9Å
100T66.2Low64.6Low111 Ų111103.7 Ų103.768%0.68158%0.579SS**Hα-helixtrans-73-9.6177.353.30000112L96 E97L96-T100 WeakPolarHBondContact O-CG2 3.39Å; L96-T100 PolarHBondContact O-N 2.99Å; L96-T100 PolarHBondContact O-OG1 3.34Å; E97-T100 PolarHBondContact O-OG1 3.33Å
101G50Low62.6Low42 Ų42110.7 Ų110.743%0.43360%0.597SS.*  trans66105.3-17800000108.2E97 R99 G103E97-G101 PolarHBondContact O-N 3.48Å; R99-G101 PolarHBondContact O-N 2.9Å; G101-G103 WeakPolarHBondContact O-CA 3.47Å; G101-G103 PolarHBondContact O-N 3.47Å
102G46.9Very low60.7Low64 Ų64114.8 Ų114.866%0.6661%0.61SS**  trans-38107.9163.800000108.2T104G102-T104 PolarHBondContact O-N 3.23Å
103G42.5Very low59Low64 Ų64115.8 Ų115.866%0.6662%0.618SS**  trans-51.7111.2-169.700000106.6G101 E105G101-G103 WeakPolarHBondContact O-CA 3.47Å; G101-G103 PolarHBondContact O-N 3.47Å; G103-E105 PolarHBondContact O-N 3.47Å
104T49.3Very low57.8Low71 Ų71119.2 Ų119.244%0.43663%0.632SS.*  trans-7255.4175.946.20000108.9G102 D106 M107G102-T104 PolarHBondContact O-N 3.23Å; T104-D106 PolarHBondContact O-N 3.25Å; T104-M107 HydrophobicContact CG2-CB 4.19Å; T104-M107 HydrophobicContact CG2-CE 3.77Å; T104-M107 PolarHBondContact O-N 3.44Å
105E51.2Low56.6Low160 Ų160124.6 Ų124.675%0.74865%0.648SS**THydrogen-bonded Turntrans-71.1-23.1171.4-65-164.8153.100110.5G103G103-E105 PolarHBondContact O-N 3.47Å
106D53.8Low55.6Low150 Ų150130.8 Ų130.880%0.80267%0.671SS**THydrogen-bonded Turntrans-87.4-9.9173.4-75.2-31000114.9T104T104-D106 PolarHBondContact O-N 3.25Å
107M52.7Low54.6Low140 Ų140133.9 Ų133.969%0.6968%0.682SS**THydrogen-bonded Turntrans-101.3-4.5-178.2-135.8-172.8-62.500114.4T104T104-M107 HydrophobicContact CG2-CB 4.19Å; T104-M107 HydrophobicContact CG2-CE 3.77Å; T104-M107 PolarHBondContact O-N 3.44Å
108Q51.2Low53.3Low136 Ų136136.9 Ų136.964%0.63669%0.694SS**SBendtrans-93.4-21.9175.4-68.4-1773.700113.2V110 R111Q108-V110 PolarHBondContact O-N 3.05Å; Q108-R111 PolarHBondContact O-N 3.21Å
109N49.2Very low51.7Low99 Ų99136.6 Ų136.653%0.52970%0.696SS.*Hα-helixtrans-78.9-15.5-179.3-73-26.3000114.5
110V54.3Low50.4Low100 Ų100133.5 Ų133.561%0.60669%0.694SS**Hα-helixtrans-77.5-25.8175.4-171.30000111.4Q108 L114Q108-V110 PolarHBondContact O-N 3.05Å; V110-L114 WeakPolarHBondContact O-CD1 3.33Å
111R51.5Low49.5Very low219 Ų219135.1 Ų135.183%0.82670%0.699SS**Hα-helixtrans-86.2-25.6-176.9-161.3169.7-177.6164.4-0.3114Q108Q108-R111 PolarHBondContact O-N 3.21Å
112M50.2Low48.9Very low134 Ų134143.3 Ų143.366%0.6672%0.722SS**Hα-helixtrans-81.3-33.5176.4-77-94.4-158.500112.7L114 R115M112-L114 PolarHBondContact O-N 3.17Å; M112-R115 PolarHBondContact O-N 3.09Å
113K46.4Very low49Very low166 Ų166145.9 Ų145.972%0.72273%0.725SS**Hα-helixtrans-75.1-16.8-174.9-72.2-171.9177.8-178.40115.1
114L53.4Low49Very low135 Ų135149.3 Ų149.371%0.70773%0.733SS**THydrogen-bonded Turntrans-82.7-10.7170.7-85.9102.9000114.1V110 M112V110-L114 WeakPolarHBondContact O-CD1 3.33Å; M112-L114 PolarHBondContact O-N 3.17Å
115R49.1Very low48.5Very low220 Ų220149.5 Ų149.583%0.8375%0.749SS**THydrogen-bonded Turntrans-99.7-11.5-170.3-136.4176.3174.6-147.5-2.2114.3M112M112-R115 PolarHBondContact O-N 3.09Å
116Q52.1Low48Very low166 Ų166148.1 Ų148.178%0.77676%0.757SS**SBendtrans-101.14.1178.7-74.1-178.217.100114.5
117Q55Low47.5Very low176 Ų176144.4 Ų144.482%0.82275%0.754SS**SBendtrans-105.17.7179.8-118.2171.8-6.100114.4
118K46.9Very low47Very low195 Ų195147 Ų14785%0.84877%0.765SS**  trans-118.169.5178.8-89.5-173.4172.7-1790111.5
119S40.7Very low46.7Very low103 Ų103152.2 Ų152.272%0.7278%0.779SS**  trans-16454.1169.2470000111.7
120I46.6Very low46.2Very low152 Ų152153.8 Ų153.878%0.77979%0.792SS**SBendtrans-140.5135.2161.5-57.5-176.1000106.1
121D45.6Very low46Very low146 Ų146157.8 Ų157.878%0.78180%0.804SS**  trans89.574.3171.7-51.6-33000119.7
122K39.2Very low46.2Very low213 Ų213155.1 Ų155.193%0.92680%0.799SS**  trans-81.295.8146.1-99.2-176172.2-179.40108.8
123V47.5Very low46.5Very low119 Ų119154.6 Ų154.672%0.72181%0.808SS**  trans-148.1106.4160.7174.20000109.3
124T43.1Very low47.7Very low135 Ų135149.8 Ų149.883%0.82880%0.8SS**  trans40.5128.4145.364.80000120.9
125G38.7Very low49.1Very low75 Ų75151.7 Ų151.777%0.77380%0.802SS**  trans126.999.3141.100000115.7
126S39.9Very low50.8Low131 Ų131141.5 Ų141.592%0.91676%0.764SS**  trans9.4113.8135.3159.10000116.8
127G44.4Very low52.4Low72 Ų72142 Ų14274%0.74276%0.761SS**  trans173111.1164.400000113.4R129G127-R129 PolarHBondContact O-N 2.85Å
128Q41.7Very low53.8Low195 Ų195141.2 Ų141.291%0.91175%0.75SS**  trans-53.5127.6172.3-65.7158.8-5300111.3
129R45Very low55.9Low246 Ų246134.6 Ų134.693%0.92873%0.728SS**  trans-171.3132.7141.3-110.6166.6159.4177.8-7.2113.2G127G127-R129 PolarHBondContact O-N 2.85Å
130T39.6Very low57.8Low132 Ų132131.8 Ų131.881%0.8172%0.715SS**  trans-84.4115.4-175.747.30000111.1
131E50.1Low59.6Low183 Ų183131.4 Ų131.486%0.85571%0.708SS**  trans-14177.2163.5-82.2-170.7154.800109.7S133E131-S133 PolarHBondContact O-N 3.41Å
132F54.6Low61.4Low164 Ų164127.7 Ų127.772%0.71970%0.704SS**  trans-76.773.7164.9-92-90.6000109.2A134F132-A134 PolarHBondContact O-N 2.94Å
133S56.5Low63.6Low122 Ų122120.3 Ų120.385%0.85367%0.673SS**  trans-90.852.2172.5-166.50000111.3E131E131-S133 PolarHBondContact O-N 3.41Å
134A71.5Confident65.1Low66 Ų66118.5 Ų118.555%0.54566%0.659SS.*  trans-122.2115.5166.300000107.6F132 C136F132-A134 PolarHBondContact O-N 2.94Å; A134-C136 PolarHBondContact O-N 3.33Å
135K82.2Confident67Low174 Ų174112.7 Ų112.776%0.75763%0.625SS**  trans-59.2135175.8-66.5178.6-178.51780109.2Y137K135-Y137 PolarHBondContact O-N 2.9Å
136C85.3Confident69Low6 Ų6117.8 Ų117.84%0.04163%0.629CS.*  trans-55.8127.3174.9173.80000110.1A134 R138 G140 K141 H143A134-C136 PolarHBondContact O-N 3.33Å; C136-R138 PolarHBondContact O-N 3.42Å; C136-R138 PolarHBondContact SG-N 3.34Å; C136-R138 VanDerWaalsContact SG-N 3.36Å; C136-G140 VanDerWaalsContact O-CA 3.26Å; C136-G140 WeakPolarHBondContact O-CA 3.44Å; C136-G140 PolarHBondContact O-N 2.81Å; C136-K141 VanDerWaalsContact CB-O 3.23Å; C136-K141 WeakPolarHBondContact CB-O 3.3Å; C136-K141 PolarHBondContact N-O 3.17Å; C136-H143 WeakPolarHBondContact CB-NE2 3.4Å; C136-H143 PolarHBondContact SG-NE2 2.84Å
137Y85.3Confident70.8Confident178 Ų178115.4 Ų115.470%0.69862%0.617SS**THydrogen-bonded Turntrans-70.4-12-179.868.5-96.1000113.3K135 A145K135-Y137 PolarHBondContact O-N 2.9Å; Y137-A145 HydrophobicContact CD1-CB 3.64Å; Y137-A145 HydrophobicContact CE1-CB 3.09Å
138R86Confident72.6Confident158 Ų158116.2 Ų116.260%0.59661%0.61SS**THydrogen-bonded Turntrans-90.1-41.6178-60.2-177.4175.6-168.9-3.8112.7C136 C148C136-R138 PolarHBondContact O-N 3.42Å; C136-R138 PolarHBondContact SG-N 3.34Å; C136-R138 VanDerWaalsContact SG-N 3.36Å; R138-C148 HydrophobicContact CB-CB 4.5Å
139C90.4Very high74.1Confident57 Ų57112.3 Ų112.339%0.38560%0.595SS.*THydrogen-bonded Turntrans-131.3-2-17274.90000115.5K141 H143C139-K141 VanDerWaalsContact C-N 3.25Å; C139-K141 PolarHBondContact O-N 3.36Å; C139-H143 PolarHBondContact SG-CE1 3.49Å; C139-H143 PolarHBondContact SG-NE2 3.12Å; C139-H143 VanDerWaalsContact SG-NE2 3.36Å
140G81Confident75.7Confident44 Ų44105.2 Ų105.245%0.45458%0.577SS.*SBendtrans76-0177.900000116.1C136C136-G140 VanDerWaalsContact O-CA 3.26Å; C136-G140 WeakPolarHBondContact O-CA 3.44Å; C136-G140 PolarHBondContact O-N 2.81Å
141K84.3Confident77.7Confident143 Ų143103.7 Ų103.762%0.62257%0.565SS**SBendtrans-85.9159.6179.8-60.4179.9-177.9177.50112.2C136 C139 H143C136-K141 VanDerWaalsContact CB-O 3.23Å; C136-K141 WeakPolarHBondContact CB-O 3.3Å; C136-K141 PolarHBondContact N-O 3.17Å; C139-K141 VanDerWaalsContact C-N 3.25Å; C139-K141 PolarHBondContact O-N 3.36Å; K141-H143 PolarHBondContact O-N 3.19Å
142G83.8Confident79.3Confident69 Ų6999.1 Ų99.171%0.71155%0.547SS*.SBendtrans-79.577.6179.700000113.2
143H83.8Confident80.8Confident57 Ų5795 Ų9526%0.26454%0.537SS..SBendtrans-151.7168.1172.759-124.8000111.3C136 C139 K141 C148C136-H143 WeakPolarHBondContact CB-NE2 3.4Å; C136-H143 PolarHBondContact SG-NE2 2.84Å; C139-H143 PolarHBondContact SG-CE1 3.49Å; C139-H143 PolarHBondContact SG-NE2 3.12Å; C139-H143 VanDerWaalsContact SG-NE2 3.36Å; K141-H143 PolarHBondContact O-N 3.19Å; H143-C148 VanDerWaalsContact NE2-CB 3.35Å; H143-C148 WeakPolarHBondContact NE2-CB 3.29Å
144D80.7Confident82.5Confident81 Ų8193.2 Ų93.243%0.43352%0.516SS..  trans-66.9131.1168.2-170.9-23.4000110.7Q146 A147D144-Q146 PolarHBondContact O-N 2.99Å; D144-Q146 VanDerWaalsContact O-N 3.16Å; D144-Q146 PolarHBondContact OD1-N 3.17Å; D144-A147 WeakPolarHBondContact O-CA 3.38Å; D144-A147 PolarHBondContact O-N 3.47Å
145A82.2Confident83.2Confident13 Ų1395.1 Ų95.111%0.10751%0.513CS..G310 helixtrans-63.6-16.8179.800000114.4Y137 A147 C148Y137-A145 HydrophobicContact CD1-CB 3.64Å; Y137-A145 HydrophobicContact CE1-CB 3.09Å; A145-A147 VanDerWaalsContact C-N 3.25Å; A145-C148 WeakPolarHBondContact O-CB 3.47Å
146Q80.3Confident83.3Confident182 Ų18289.1 Ų89.185%0.8550%0.495SS*.G310 helixtrans-72.8-18.8169.7-68.9-172.6-22.800113D144D144-Q146 PolarHBondContact O-N 2.99Å; D144-Q146 VanDerWaalsContact O-N 3.16Å; D144-Q146 PolarHBondContact OD1-N 3.17Å
147A79Confident83.2Confident81 Ų8196 Ų9667%0.66953%0.533SS*.G310 helixtrans-103.613.117600000113.1D144 A145D144-A147 WeakPolarHBondContact O-CA 3.38Å; D144-A147 PolarHBondContact O-N 3.47Å; A145-A147 VanDerWaalsContact C-N 3.25Å
148C81.2Confident83Confident89 Ų8988.5 Ų88.560%0.60152%0.518SS*.  trans-83.20-179.6-175.20000112.9R138 H143 A145R138-C148 HydrophobicContact CB-CB 4.5Å; H143-C148 VanDerWaalsContact NE2-CB 3.35Å; H143-C148 WeakPolarHBondContact NE2-CB 3.29Å; A145-C148 WeakPolarHBondContact O-CB 3.47Å

Retrieved 148 of 148 residues in 84.1 ms (Link to these results)

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