A0A087X6I0_POEFO Loading...

Flotillin

AlphaFold DB , UniProt , Accession A0A087X6I0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 424 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
1M81.5Confident87.2Confident123 Ų12367.4 Ų67.461%0.60637%0.367SS*.  0137.60-173.2171.2-178.700108.2Y3 V31M1-Y3 HydrophobicContact CB-CE2 4.01Å; M1-Y3 HydrophobicContact CG-CE2 4.15Å; M1-Y3 HydrophobicContact SD-CE1 4.43Å; M1-Y3 HydrophobicContact SD-CE2 4.35Å; M1-V31 PolarHBondContact N-O 3.23Å; M1-V31 PolarHBondContact O-N 3.49Å
2F85.6Confident87.4Confident134 Ų13462.8 Ų62.859%0.58834%0.343SS*.EExtended strand (participates in β ladder)trans-84.4130.2174.9-75.4-80.3000109.7F30F2-F30 HydrophobicContact CD1-CB 4.21Å; F2-F30 HydrophobicContact CD1-CD2 4.17Å; F2-F30 HydrophobicContact CD2-CD2 4.14Å; F2-F30 HydrophobicContact CE1-CB 3.97Å; F2-F30 AromaticContact CE1-CD2 3.95Å; F2-F30 HydrophobicContact CE1-CD2 3.95Å; F2-F30 HydrophobicContact CE1-CG 4.44Å; F2-F30 AromaticContact CE2-CD2 3.9Å; F2-F30 HydrophobicContact CE2-CD2 3.9Å; F2-F30 HydrophobicContact CE2-CE2 4.34Å; F2-F30 HydrophobicContact CG-CD2 4.27Å; F2-F30 AromaticContact CZ-CD2 3.81Å; F2-F30 HydrophobicContact CZ-CD2 3.81Å
3Y87.8Confident87.6Confident59 Ų5958 Ų5823%0.23132%0.317CS..EExtended strand (participates in β ladder)trans-112131.2170.5-68.5-85.9000108.7M1 R28 V29 V31 I38M1-Y3 HydrophobicContact CB-CE2 4.01Å; M1-Y3 HydrophobicContact CG-CE2 4.15Å; M1-Y3 HydrophobicContact SD-CE1 4.43Å; M1-Y3 HydrophobicContact SD-CE2 4.35Å; Y3-R28 WeakPolarHBondContact O-CA 3.47Å; Y3-V29 PolarHBondContact N-O 3.19Å; Y3-V29 PolarHBondContact O-N 2.98Å; Y3-V31 HydrophobicContact CD2-CB 3.81Å; Y3-V31 HydrophobicContact CD2-CG2 3.76Å; Y3-V31 HydrophobicContact CE2-CB 3.84Å; Y3-V31 HydrophobicContact CE2-CG1 4.36Å; Y3-V31 HydrophobicContact CE2-CG2 4.25Å; Y3-I38 HydrophobicContact CD1-CD1 4.15Å; Y3-I38 HydrophobicContact CD2-CD1 3.97Å; Y3-I38 HydrophobicContact CG-CD1 3.65Å
4T88.5Confident87.6Confident104 Ų10456.3 Ų56.364%0.63831%0.311SS*.EExtended strand (participates in β ladder)trans-102.7134.917851.30000110.2M11 G27 R28T4-M11 VanDerWaalsContact C-CE 3.5Å; T4-M11 WeakPolarHBondContact O-CE 3.45Å; T4-G27 CarbonylContact C-O 3.38Å; T4-G27 WeakPolarHBondContact CA-O 3.32Å; T4-R28 HydrophobicContact CG2-CB 4.44Å
5C86.9Confident87.4Confident11 Ų1155.1 Ų55.17%0.07432%0.317CS..EExtended strand (participates in β ladder)trans-110128.4-179.3-163.50000109.6E9 M11 G27C5-E9 WeakPolarHBondContact SG-CB 2.99Å; C5-E9 PolarHBondContact SG-O 3.41Å; C5-M11 HydrophobicContact CB-CE 3.72Å; C5-M11 HydrophobicContact CB-CG 4Å; C5-M11 HydrophobicContact CB-SD 3.66Å; C5-G27 PolarHBondContact N-O 3.33Å; C5-G27 PolarHBondContact O-N 3.4Å
6G85.3Confident86.9Confident31 Ų3160.3 Ų60.332%0.3234%0.335SS..EExtended strand (participates in β ladder)trans-65.5162.6171.800000111.7N8 E9 G26G6-N8 PolarHBondContact O-N 3.15Å; G6-E9 PolarHBondContact O-N 3.33Å; G6-E9 VanDerWaalsContact O-N 3.17Å; G6-G26 WeakPolarHBondContact O-CA 3.4Å
7P84.6Confident86.4Confident117 Ų11763.2 Ų63.276%0.7636%0.359SS*.EExtended strand (participates in β ladder)trans-63-21.5178.625.3-33.7000113.5
8N87.3Confident85.9Confident91 Ų9162.8 Ų62.849%0.48735%0.351SS..EExtended strand (participates in β ladder)trans-101.917.6179.2-59.2-13.1000113.1G6 L43 N44G6-N8 PolarHBondContact O-N 3.15Å; N8-L43 WeakPolarHBondContact O-CA 3.47Å; N8-L43 WeakPolarHBondContact O-CB 3.2Å; N8-L43 PolarHBondContact O-N 3.04Å; N8-N44 VanDerWaalsContact CB-OD1 3.29Å; N8-N44 WeakPolarHBondContact CB-OD1 3.43Å; N8-N44 PolarHBondContact ND2-OD1 3.23Å
9E89.4Confident85.5Confident68 Ų6865.8 Ų65.832%0.31838%0.376SS..EExtended strand (participates in β ladder)trans-129.2152.1176.7-69.5-179-174.200109.6C5 G6 G26 R40 I41C5-E9 WeakPolarHBondContact SG-CB 2.99Å; C5-E9 PolarHBondContact SG-O 3.41Å; G6-E9 PolarHBondContact O-N 3.33Å; G6-E9 VanDerWaalsContact O-N 3.17Å; E9-G26 PolarHBondContact O-N 3.47Å; E9-G26 VanDerWaalsContact O-N 3.11Å; E9-R40 IonicContact OE2-NH1 3.46Å; E9-R40 PolarHBondContact OE2-NH1 3.45Å; E9-I41 WeakPolarHBondContact CA-O 3.42Å
10A90.9Very high85.2Confident1 Ų168.1 Ų68.11%0.00839%0.394CS..EExtended strand (participates in β ladder)trans-121.4142.3165.100000110.5I24 A25 R40 I41 L43 L81A10-I24 CarbonylContact C-O 3.52Å; A10-I24 WeakPolarHBondContact CA-O 3.42Å; A10-A25 HydrophobicContact CB-CB 4.32Å; A10-R40 CarbonylContact O-C 3.57Å; A10-R40 WeakPolarHBondContact O-CA 3.3Å; A10-I41 HydrophobicContact CB-CG2 3.71Å; A10-I41 PolarHBondContact N-O 3.34Å; A10-I41 PolarHBondContact O-N 3.39Å; A10-L43 HydrophobicContact CB-CD1 4.09Å; A10-L43 HydrophobicContact CB-CD2 4.04Å; A10-L43 HydrophobicContact CB-CG 4.2Å; A10-L81 HydrophobicContact CB-CD1 3.88Å; A10-L81 HydrophobicContact CB-CD2 4.35Å
11M91Very high85.2Confident2 Ų267.6 Ų67.61%0.0139%0.393CS..EExtended strand (participates in β ladder)trans-108.4133176.4-72.2176.7175.100110T4 C5 M23 I24 V29 I38 Q39 R40T4-M11 VanDerWaalsContact C-CE 3.5Å; T4-M11 WeakPolarHBondContact O-CE 3.45Å; C5-M11 HydrophobicContact CB-CE 3.72Å; C5-M11 HydrophobicContact CB-CG 4Å; C5-M11 HydrophobicContact CB-SD 3.66Å; M11-M23 WeakPolarHBondContact O-CA 3.28Å; M11-I24 PolarHBondContact N-O 3.46Å; M11-I24 PolarHBondContact O-N 3.38Å; M11-V29 HydrophobicContact SD-CG1 3.89Å; M11-I38 HydrophobicContact CE-CD1 4.27Å; M11-I38 HydrophobicContact CG-CD1 4.19Å; M11-I38 HydrophobicContact SD-CD1 3.72Å; M11-Q39 WeakPolarHBondContact CA-O 3.49Å; M11-R40 HydrophobicContact CE-CG 4.41Å; M11-R40 HydrophobicContact CG-CG 4.23Å
12V90.3Very high85.5Confident12 Ų1264.2 Ų64.27%0.07338%0.379CS..EExtended strand (participates in β ladder)trans-110.7119170.6-173.30000107.7P21 M23 Q39 C85 M89V12-P21 HydrophobicContact CG1-CB 4.17Å; V12-M23 HydrophobicContact CG1-CG 4.35Å; V12-M23 HydrophobicContact CG2-CG 4.31Å; V12-Q39 PolarHBondContact N-O 3.1Å; V12-Q39 PolarHBondContact O-N 3.47Å; V12-C85 HydrophobicContact CG2-CB 3.9Å; V12-C85 WeakPolarHBondContact CG2-SG 3.36Å; V12-M89 HydrophobicContact CB-SD 4.25Å; V12-M89 HydrophobicContact CG2-SD 4.15Å
13V89.9Confident85.7Confident1 Ų160.3 Ų60.31%0.00636%0.363CS..EExtended strand (participates in β ladder)trans-108.1121.5175.6-1750000109.2V22 V29 V31 Q36 Q37 I38V13-V22 PolarHBondContact N-O 3.49Å; V13-V22 PolarHBondContact O-N 3.07Å; V13-V29 HydrophobicContact CG2-CG1 3.93Å; V13-V29 HydrophobicContact CG2-CG2 3.86Å; V13-V31 HydrophobicContact CG1-CG1 4.45Å; V13-V31 HydrophobicContact CG1-CG2 4.03Å; V13-V31 HydrophobicContact CG2-CG2 3.84Å; V13-Q36 HydrophobicContact CG1-CB 4.26Å; V13-Q37 WeakPolarHBondContact CA-O 3.4Å; V13-I38 HydrophobicContact CG2-CG1 4.4Å
14S87Confident85.7Confident34 Ų3459.7 Ų59.724%0.23836%0.363CS..EExtended strand (participates in β ladder)trans-121.5158.2177.5580000110.6Q36 Q37S14-Q36 CarbonylContact O-C 3.33Å; S14-Q36 VanDerWaalsContact O-CA 3.28Å; S14-Q36 WeakPolarHBondContact O-CA 3.33Å; S14-Q37 PolarHBondContact N-O 2.94Å; S14-Q37 PolarHBondContact O-N 3.2Å
15G84.9Confident85.7Confident38 Ų3856.9 Ų56.939%0.39235%0.351SS..EExtended strand (participates in β ladder)trans129.2-160.8177.900000114.1C17 R18 I35G15-C17 PolarHBondContact O-N 3.28Å; G15-R18 PolarHBondContact O-N 3.18Å; G15-R18 VanDerWaalsContact O-N 3.15Å; G15-I35 WeakPolarHBondContact CA-O 3.43Å
16F79.9Confident85.6Confident138 Ų13857.2 Ų57.261%0.60536%0.356SS*.THydrogen-bonded Turntrans-58.3133.9-170.9-169.6-105.1000112.6R18 I35 Q36F16-R18 VanDerWaalsContact C-N 3.27Å; F16-R18 PolarHBondContact O-N 2.87Å; F16-I35 HydrophobicContact CB-CB 3.96Å; F16-I35 HydrophobicContact CB-CD1 4.11Å; F16-I35 HydrophobicContact CB-CG1 4.45Å; F16-I35 HydrophobicContact CD1-CD1 4.06Å; F16-I35 HydrophobicContact CG-CD1 4.49Å; F16-I35 PolarHBondContact N-O 2.9Å; F16-Q36 PolarHBondContact O-NE2 3.29Å
17C78.6Confident85.7Confident111 Ų11158 Ų5875%0.7536%0.364SS*.THydrogen-bonded Turntrans58.521.8-174.9-66.80000116.5G15G15-C17 PolarHBondContact O-N 3.28Å
18R76.4Confident85.8Confident56 Ų5661.5 Ų61.521%0.21136%0.362CS..  trans-131.469.1175.4-66.4-159.3176.7163.812.6112.9G15 F16 P20 V22 F30G15-R18 PolarHBondContact O-N 3.18Å; G15-R18 VanDerWaalsContact O-N 3.15Å; F16-R18 VanDerWaalsContact C-N 3.27Å; F16-R18 PolarHBondContact O-N 2.87Å; R18-P20 CarbonylContact C-O 3.54Å; R18-P20 CarbonylContact O-C 3.55Å; R18-V22 HydrophobicContact CB-CG2 4.5Å; R18-V22 HydrophobicContact CG-CG2 4.36Å; R18-F30 PolarHBondContact NH1-O 3.17Å; R18-F30 PolarHBondContact NH2-O 3.39Å
19S78.2Confident85.9Confident119 Ų11957.6 Ų57.683%0.83234%0.341SS*.SBendtrans-121.3112170.4-680000109
20P79.5Confident85.8Confident112 Ų11258.1 Ų58.173%0.72734%0.343SS*.SBendcis-72.2160.5530.1-35.3000114R18R18-P20 CarbonylContact C-O 3.54Å; R18-P20 CarbonylContact O-C 3.55Å
21P85.3Confident85.6Confident57 Ų5758.2 Ų58.237%0.3734%0.343SS..PPolyproline II helixtrans-59.2142177.924.4-33.7000111.3V12 M23V12-P21 HydrophobicContact CG1-CB 4.17Å; P21-M23 HydrophobicContact CG-CE 4.11Å
22V88Confident85.4Confident52 Ų5263 Ų6332%0.31536%0.364SS..EExtended strand (participates in β ladder)trans-88.1118.5-177.41750000109V13 R18 I24V13-V22 PolarHBondContact N-O 3.49Å; V13-V22 PolarHBondContact O-N 3.07Å; R18-V22 HydrophobicContact CB-CG2 4.5Å; R18-V22 HydrophobicContact CG-CG2 4.36Å; V22-I24 HydrophobicContact CG1-CD1 3.72Å; V22-I24 HydrophobicContact CG1-CG1 3.89Å
23M89.3Confident84.8Confident53 Ų5367.1 Ų67.126%0.26139%0.391SS..EExtended strand (participates in β ladder)trans-109125.1179.5-54.8173.9-157.900109.6M11 V12 P21 L81 A82 C85M11-M23 WeakPolarHBondContact O-CA 3.28Å; V12-M23 HydrophobicContact CG1-CG 4.35Å; V12-M23 HydrophobicContact CG2-CG 4.31Å; P21-M23 HydrophobicContact CG-CE 4.11Å; M23-L81 HydrophobicContact CB-CD2 3.99Å; M23-L81 HydrophobicContact CB-CG 4.44Å; M23-L81 HydrophobicContact SD-CG 4.44Å; M23-A82 HydrophobicContact CE-CB 3.66Å; M23-A82 WeakPolarHBondContact SD-CA 3.47Å; M23-A82 HydrophobicContact SD-CB 3.74Å; M23-C85 HydrophobicContact SD-CB 4.28Å
24I88.8Confident84.5Confident46 Ų4673 Ų7324%0.23643%0.43CS..EExtended strand (participates in β ladder)trans-131.4116.6-175.8-66.7163.5000107.9A10 M11 V22 G26 V29A10-I24 CarbonylContact C-O 3.52Å; A10-I24 WeakPolarHBondContact CA-O 3.42Å; M11-I24 PolarHBondContact N-O 3.46Å; M11-I24 PolarHBondContact O-N 3.38Å; V22-I24 HydrophobicContact CG1-CD1 3.72Å; V22-I24 HydrophobicContact CG1-CG1 3.89Å; I24-G26 WeakPolarHBondContact CG2-O 3.45Å; I24-V29 HydrophobicContact CD1-CB 3.67Å; I24-V29 HydrophobicContact CD1-CG2 3.62Å
25A88.9Confident84.5Confident45 Ų4575.4 Ų75.437%0.37244%0.44SS..EExtended strand (participates in β ladder)trans-90108.3170.800000109.1A10 L43 G75 L81A10-A25 HydrophobicContact CB-CB 4.32Å; A25-L43 HydrophobicContact CB-CD1 4.12Å; A25-G75 WeakPolarHBondContact CB-O 3.43Å; A25-L81 HydrophobicContact CB-CD2 4.34Å
26G83.9Confident84.6Confident18 Ų1874.4 Ų74.419%0.18643%0.425CS..EExtended strand (participates in β ladder)trans69.4161.1-174.600000115.5G6 E9 I24G6-G26 WeakPolarHBondContact O-CA 3.4Å; E9-G26 PolarHBondContact O-N 3.47Å; E9-G26 VanDerWaalsContact O-N 3.11Å; I24-G26 WeakPolarHBondContact CG2-O 3.45Å
27G87Confident85Confident47 Ų4774.1 Ų74.149%0.48543%0.426SS..EExtended strand (participates in β ladder)trans99.6-139.2174.500000113.9T4 C5T4-G27 CarbonylContact C-O 3.38Å; T4-G27 WeakPolarHBondContact CA-O 3.32Å; C5-G27 PolarHBondContact N-O 3.33Å; C5-G27 PolarHBondContact O-N 3.4Å
28R87.9Confident85.4Confident191 Ų19171.1 Ų71.172%0.72140%0.401SS*.EExtended strand (participates in β ladder)trans-139.2143.4-17664.3-178.4178.2174.9-1.4112.4Y3 T4Y3-R28 WeakPolarHBondContact O-CA 3.47Å; T4-R28 HydrophobicContact CG2-CB 4.44Å
29V88.8Confident86Confident9 Ų971.7 Ų71.76%0.05541%0.407CS..EExtended strand (participates in β ladder)trans-134139.1175.566.10000111.1Y3 M11 V13 I24 V31 I38Y3-V29 PolarHBondContact N-O 3.19Å; Y3-V29 PolarHBondContact O-N 2.98Å; M11-V29 HydrophobicContact SD-CG1 3.89Å; V13-V29 HydrophobicContact CG2-CG1 3.93Å; V13-V29 HydrophobicContact CG2-CG2 3.86Å; I24-V29 HydrophobicContact CD1-CB 3.67Å; I24-V29 HydrophobicContact CD1-CG2 3.62Å; V29-V31 HydrophobicContact CG1-CG2 4.06Å; V29-V31 HydrophobicContact CG2-CG2 4.48Å; V29-I38 HydrophobicContact CG1-CD1 4.36Å
30F87Confident86.5Confident79 Ų7972.2 Ų72.235%0.34639%0.39SS..EExtended strand (participates in β ladder)trans-89.5126.3171.5-173.9-93.8000109.9F2 R18 F32F2-F30 HydrophobicContact CD1-CB 4.21Å; F2-F30 HydrophobicContact CD1-CD2 4.17Å; F2-F30 HydrophobicContact CD2-CD2 4.14Å; F2-F30 HydrophobicContact CE1-CB 3.97Å; F2-F30 AromaticContact CE1-CD2 3.95Å; F2-F30 HydrophobicContact CE1-CD2 3.95Å; F2-F30 HydrophobicContact CE1-CG 4.44Å; F2-F30 AromaticContact CE2-CD2 3.9Å; F2-F30 HydrophobicContact CE2-CD2 3.9Å; F2-F30 HydrophobicContact CE2-CE2 4.34Å; F2-F30 HydrophobicContact CG-CD2 4.27Å; F2-F30 AromaticContact CZ-CD2 3.81Å; F2-F30 HydrophobicContact CZ-CD2 3.81Å; R18-F30 PolarHBondContact NH1-O 3.17Å; R18-F30 PolarHBondContact NH2-O 3.39Å; F30-F32 HydrophobicContact CD1-CD2 4.31Å; F30-F32 HydrophobicContact CD1-CE2 4.1Å; F30-F32 HydrophobicContact CD1-CZ 4.4Å; F30-F32 HydrophobicContact CE1-CD1 4.02Å; F30-F32 AromaticContact CE1-CD2 3.95Å; F30-F32 HydrophobicContact CE1-CD2 3.95Å; F30-F32 AromaticContact CE1-CE1 3.75Å; F30-F32 HydrophobicContact CE1-CE1 3.75Å; F30-F32 AromaticContact CE1-CE2 3.67Å; F30-F32 HydrophobicContact CE1-CE2 3.67Å; F30-F32 HydrophobicContact CE1-CG 4.13Å; F30-F32 AromaticContact CE1-CZ 3.58Å; F30-F32 HydrophobicContact CE1-CZ 3.58Å; F30-F32 HydrophobicContact CZ-CE1 4.31Å; F30-F32 HydrophobicContact CZ-CZ 4.47Å
31V87.3Confident87Confident2 Ų267.3 Ų67.31%0.01236%0.358CS..  trans-125.1132.7-178.9-178.40000109.9M1 Y3 V13 V29 Q36 I38M1-V31 PolarHBondContact N-O 3.23Å; M1-V31 PolarHBondContact O-N 3.49Å; Y3-V31 HydrophobicContact CD2-CB 3.81Å; Y3-V31 HydrophobicContact CD2-CG2 3.76Å; Y3-V31 HydrophobicContact CE2-CB 3.84Å; Y3-V31 HydrophobicContact CE2-CG1 4.36Å; Y3-V31 HydrophobicContact CE2-CG2 4.25Å; V13-V31 HydrophobicContact CG1-CG1 4.45Å; V13-V31 HydrophobicContact CG1-CG2 4.03Å; V13-V31 HydrophobicContact CG2-CG2 3.84Å; V29-V31 HydrophobicContact CG1-CG2 4.06Å; V29-V31 HydrophobicContact CG2-CG2 4.48Å; V31-Q36 HydrophobicContact CG1-CB 3.7Å; V31-I38 HydrophobicContact CG2-CB 4.45Å; V31-I38 HydrophobicContact CG2-CD1 4.27Å
32F86.1Confident87.2Confident104 Ų10465.9 Ų65.946%0.45635%0.349SS..  trans-84.7115.5173.6-75.6-81.1000110.7F30 C34 I35 Q36F30-F32 HydrophobicContact CD1-CD2 4.31Å; F30-F32 HydrophobicContact CD1-CE2 4.1Å; F30-F32 HydrophobicContact CD1-CZ 4.4Å; F30-F32 HydrophobicContact CE1-CD1 4.02Å; F30-F32 AromaticContact CE1-CD2 3.95Å; F30-F32 HydrophobicContact CE1-CD2 3.95Å; F30-F32 AromaticContact CE1-CE1 3.75Å; F30-F32 HydrophobicContact CE1-CE1 3.75Å; F30-F32 AromaticContact CE1-CE2 3.67Å; F30-F32 HydrophobicContact CE1-CE2 3.67Å; F30-F32 HydrophobicContact CE1-CG 4.13Å; F30-F32 AromaticContact CE1-CZ 3.58Å; F30-F32 HydrophobicContact CE1-CZ 3.58Å; F30-F32 HydrophobicContact CZ-CE1 4.31Å; F30-F32 HydrophobicContact CZ-CZ 4.47Å; F32-C34 VanDerWaalsContact C-N 3.26Å; F32-C34 PolarHBondContact O-N 3.15Å; F32-C34 VanDerWaalsContact O-N 3.08Å; F32-I35 HydrophobicContact CB-CD1 3.9Å; F32-I35 HydrophobicContact CB-CG1 3.54Å; F32-I35 HydrophobicContact CG-CD1 4.21Å; F32-I35 HydrophobicContact CG-CG1 4.39Å; F32-I35 PolarHBondContact O-N 3.4Å; F32-Q36 HydrophobicContact CB-CG 4.38Å; F32-Q36 WeakPolarHBondContact O-CB 3.48Å; F32-Q36 PolarHBondContact O-N 3.46Å
33P78.8Confident87.4Confident97 Ų9764.5 Ų64.563%0.6334%0.34SS*.THydrogen-bonded Turntrans-65-16.8-16523.7-33.8000116.1
34C82.3Confident87.4Confident124 Ų12465.6 Ų65.684%0.83835%0.347SS*.THydrogen-bonded Turntrans-104.4-18.8-177.4-54.40000114.5F32F32-C34 VanDerWaalsContact C-N 3.26Å; F32-C34 PolarHBondContact O-N 3.15Å; F32-C34 VanDerWaalsContact O-N 3.08Å
35I87.4Confident87.6Confident85 Ų8567 Ų6744%0.43636%0.358SS..THydrogen-bonded Turntrans-126.9-5.6-170.153.1166000113.2G15 F16 F32G15-I35 WeakPolarHBondContact CA-O 3.43Å; F16-I35 HydrophobicContact CB-CB 3.96Å; F16-I35 HydrophobicContact CB-CD1 4.11Å; F16-I35 HydrophobicContact CB-CG1 4.45Å; F16-I35 HydrophobicContact CD1-CD1 4.06Å; F16-I35 HydrophobicContact CG-CD1 4.49Å; F16-I35 PolarHBondContact N-O 2.9Å; F32-I35 HydrophobicContact CB-CD1 3.9Å; F32-I35 HydrophobicContact CB-CG1 3.54Å; F32-I35 HydrophobicContact CG-CD1 4.21Å; F32-I35 HydrophobicContact CG-CG1 4.39Å; F32-I35 PolarHBondContact O-N 3.4Å
36Q88Confident87.7Confident17 Ų1766.6 Ų66.68%0.07935%0.349CS..EExtended strand (participates in β ladder)trans-130.8134.9-179.4-68.4174.4-1600110.6V13 S14 F16 V31 F32V13-Q36 HydrophobicContact CG1-CB 4.26Å; S14-Q36 CarbonylContact O-C 3.33Å; S14-Q36 VanDerWaalsContact O-CA 3.28Å; S14-Q36 WeakPolarHBondContact O-CA 3.33Å; F16-Q36 PolarHBondContact O-NE2 3.29Å; V31-Q36 HydrophobicContact CG1-CB 3.7Å; F32-Q36 HydrophobicContact CB-CG 4.38Å; F32-Q36 WeakPolarHBondContact O-CB 3.48Å; F32-Q36 PolarHBondContact O-N 3.46Å
37Q86.8Confident88.2Confident133 Ų13370 Ų7062%0.62137%0.367SS*.EExtended strand (participates in β ladder)trans-103140.9174.8-69.7-175.5-34.900109.9V13 S14V13-Q37 WeakPolarHBondContact CA-O 3.4Å; S14-Q37 PolarHBondContact N-O 2.94Å; S14-Q37 PolarHBondContact O-N 3.2Å
38I88.5Confident88.6Confident47 Ų4768.5 Ų68.524%0.24135%0.347CS..EExtended strand (participates in β ladder)trans-115.9132.3176.1-176169.7000109.2Y3 M11 V13 V29 V31Y3-I38 HydrophobicContact CD1-CD1 4.15Å; Y3-I38 HydrophobicContact CD2-CD1 3.97Å; Y3-I38 HydrophobicContact CG-CD1 3.65Å; M11-I38 HydrophobicContact CE-CD1 4.27Å; M11-I38 HydrophobicContact CG-CD1 4.19Å; M11-I38 HydrophobicContact SD-CD1 3.72Å; V13-I38 HydrophobicContact CG2-CG1 4.4Å; V29-I38 HydrophobicContact CG1-CD1 4.36Å; V31-I38 HydrophobicContact CG2-CB 4.45Å; V31-I38 HydrophobicContact CG2-CD1 4.27Å
39Q88.5Confident89Confident69 Ų6962.7 Ų62.732%0.32233%0.33SS..EExtended strand (participates in β ladder)trans-130.5149.8172.6-54.3-170.935.900109.8M11 V12 M89M11-Q39 WeakPolarHBondContact CA-O 3.49Å; V12-Q39 PolarHBondContact N-O 3.1Å; V12-Q39 PolarHBondContact O-N 3.47Å; Q39-M89 HydrophobicContact CB-CE 3.33Å; Q39-M89 HydrophobicContact CB-SD 3.45Å; Q39-M89 WeakPolarHBondContact CB-SD 3.37Å; Q39-M89 HydrophobicContact CG-CE 4.27Å; Q39-M89 HydrophobicContact CG-SD 4.23Å; Q39-M89 PolarHBondContact OE1-SD 2.89Å
40R88.6Confident89.3Confident129 Ų12962.2 Ų62.249%0.48733%0.328SS..EExtended strand (participates in β ladder)trans-118.7144.1-175.8-59.5-173.8-174.5-163.72.4110.1E9 A10 M11E9-R40 IonicContact OE2-NH1 3.46Å; E9-R40 PolarHBondContact OE2-NH1 3.45Å; A10-R40 CarbonylContact O-C 3.57Å; A10-R40 WeakPolarHBondContact O-CA 3.3Å; M11-R40 HydrophobicContact CE-CG 4.41Å; M11-R40 HydrophobicContact CG-CG 4.23Å
41I89.9Confident89.7Confident10 Ų1063.9 Ų63.95%0.05134%0.335CS..EExtended strand (participates in β ladder)trans-130.1136.1172.2-164.8166.5000109.4E9 A10 I73 F88E9-I41 WeakPolarHBondContact CA-O 3.42Å; A10-I41 HydrophobicContact CB-CG2 3.71Å; A10-I41 PolarHBondContact N-O 3.34Å; A10-I41 PolarHBondContact O-N 3.39Å; I41-I73 HydrophobicContact CD1-CD1 3.53Å; I41-I73 HydrophobicContact CG1-CD1 3.82Å; I41-F88 HydrophobicContact CD1-CB 4.15Å
42S90.1Very high90Very high27 Ų2763.8 Ų63.819%0.18933%0.334CS..EExtended strand (participates in β ladder)trans-76.6131.9178.7-176.60000109.8N44 E93S42-N44 PolarHBondContact OG-ND2 3.11Å; S42-E93 WeakPolarHBondContact CB-OE1 3.48Å; S42-E93 PolarHBondContact OG-OE1 3.26Å
43L90.8Very high90.4Very high22 Ų2264 Ų6412%0.11534%0.34CS..  trans-101.310.7174.2-53.9177.3000111.7N8 A10 A25 I73 L81N8-L43 WeakPolarHBondContact O-CA 3.47Å; N8-L43 WeakPolarHBondContact O-CB 3.2Å; N8-L43 PolarHBondContact O-N 3.04Å; A10-L43 HydrophobicContact CB-CD1 4.09Å; A10-L43 HydrophobicContact CB-CD2 4.04Å; A10-L43 HydrophobicContact CB-CG 4.2Å; A25-L43 HydrophobicContact CB-CD1 4.12Å; L43-I73 HydrophobicContact CD2-CB 3.99Å; L43-I73 HydrophobicContact CD2-CG2 3.83Å; L43-L81 HydrophobicContact CD2-CD1 4.39Å
44N90.5Very high90.9Very high76 Ų7665.4 Ų65.441%0.40634%0.336SS..SBendtrans-64.4154178.1-73-40.4000111.4N8 S42 L46N8-N44 VanDerWaalsContact CB-OD1 3.29Å; N8-N44 WeakPolarHBondContact CB-OD1 3.43Å; N8-N44 PolarHBondContact ND2-OD1 3.23Å; S42-N44 PolarHBondContact OG-ND2 3.11Å; N44-L46 PolarHBondContact O-N 3.35Å
45T91.4Very high91.5Very high76 Ų7660 Ų6047%0.46630%0.299SS..PPolyproline II helixtrans-72123.1174.3-52.70000109.9Q70 M71T45-Q70 HydrophobicContact CG2-CB 4.03Å; T45-M71 CarbonylContact C-O 3.56Å; T45-M71 WeakPolarHBondContact CA-O 3.33Å
46L92.8Very high91.7Very high37 Ų3762.1 Ų62.119%0.19430%0.303CS..EExtended strand (participates in β ladder)trans-93133.2171.1-61.5172.8000109.1N44 L48 Q70 M71 I96N44-L46 PolarHBondContact O-N 3.35Å; L46-L48 HydrophobicContact CB-CD2 4.49Å; L46-Q70 WeakPolarHBondContact O-CA 3.23Å; L46-M71 HydrophobicContact CB-CG 4.12Å; L46-M71 PolarHBondContact N-O 3Å; L46-M71 PolarHBondContact O-N 3.35Å; L46-I96 HydrophobicContact CD1-CG2 4.47Å
47T94.8Very high92Very high89 Ų8961.7 Ų61.755%0.54630%0.301SS..EExtended strand (participates in β ladder)trans-105.7116173.6-570000108.7I68 A69 Q70T47-I68 HydrophobicContact CG2-CG2 3.72Å; T47-A69 WeakPolarHBondContact CA-O 3.45Å; T47-Q70 HydrophobicContact CG2-CG 4.44Å
48L94.2Very high92.3Very high15 Ų1563.5 Ų63.58%0.07930%0.303CS..EExtended strand (participates in β ladder)trans-107.4139.1-180-53.8-168.6000110.5L46 I68 A69 M71 A97 A100 L101 L104L46-L48 HydrophobicContact CB-CD2 4.49Å; L48-I68 WeakPolarHBondContact O-CA 3.34Å; L48-A69 PolarHBondContact N-O 3.25Å; L48-A69 PolarHBondContact O-N 3.44Å; L48-M71 HydrophobicContact CD1-CE 3.25Å; L48-M71 HydrophobicContact CD1-SD 3.62Å; L48-M71 HydrophobicContact CG-CE 3.94Å; L48-M71 HydrophobicContact CG-SD 4.2Å; L48-A97 WeakPolarHBondContact CD1-O 3.36Å; L48-A97 HydrophobicContact CD2-CB 3.57Å; L48-A100 HydrophobicContact CD1-CB 3.94Å; L48-L101 HydrophobicContact CB-CD1 4.45Å; L48-L101 HydrophobicContact CD1-CB 4.2Å; L48-L104 HydrophobicContact CD1-CD1 4.44Å
49N95.7Very high92.5Very high69 Ų6967.4 Ų67.437%0.36932%0.32SS..EExtended strand (participates in β ladder)trans-101.1101.5173.3-171.812.2000108.6K51 T66 G67 L101N49-K51 WeakPolarHBondContact ND2-CE 3.47Å; N49-K51 PolarHBondContact O-N 2.99Å; N49-T66 WeakPolarHBondContact OD1-CG2 3.25Å; N49-G67 PolarHBondContact OD1-O 3.36Å; N49-L101 WeakPolarHBondContact O-CD1 3.47Å
50V95.7Very high92.5Very high0 Ų066.2 Ų66.20%033%0.326CS..EExtended strand (participates in β ladder)trans-87.3109.2-176.5-166.80000108.3T66 G67 A69 L101 L104 E105V50-T66 CarbonylContact O-C 3.58Å; V50-T66 WeakPolarHBondContact O-CA 3.49Å; V50-G67 PolarHBondContact N-O 3.5Å; V50-G67 PolarHBondContact O-N 2.87Å; V50-A69 HydrophobicContact CG2-CB 4.15Å; V50-L101 HydrophobicContact CB-CD1 4.28Å; V50-L101 HydrophobicContact CG1-CD1 4.42Å; V50-L101 HydrophobicContact CG2-CD1 4.08Å; V50-L104 HydrophobicContact CG1-CB 4.18Å; V50-L104 HydrophobicContact CG2-CB 3.92Å; V50-L104 HydrophobicContact CG2-CD1 3.94Å; V50-E105 HydrophobicContact CG1-CB 3.9Å; V50-E105 HydrophobicContact CG1-CG 4.38Å
51K95.4Very high92.6Very high113 Ų11361.1 Ų61.149%0.49131%0.309SS..EExtended strand (participates in β ladder)trans-108.8126.1177.9-67.2-176.5178.5-1760109.1N49 T66N49-K51 WeakPolarHBondContact ND2-CE 3.47Å; N49-K51 PolarHBondContact O-N 2.99Å; K51-T66 HydrophobicContact CG-CG2 4.17Å
52S94.6Very high92.7Very high0 Ų061.6 Ų61.60%031%0.313CS..EExtended strand (participates in β ladder)trans-122.6100.5172.4-54.30000108.2S64 V65 E105 Q108S52-S64 WeakPolarHBondContact O-CA 3.48Å; S52-V65 PolarHBondContact N-O 3.47Å; S52-V65 PolarHBondContact O-N 3.16Å; S52-E105 WeakPolarHBondContact OG-CG 3.47Å; S52-Q108 PolarHBondContact OG-NE2 3.36Å
53D92.9Very high92.9Very high109 Ų10960.3 Ų60.358%0.58330%0.304SS*.EExtended strand (participates in β ladder)trans-85140.6-178.5-60.5-34.6000110.6V55D53-V55 PolarHBondContact O-N 3.5Å
54K90.7Very high93.1Very high127 Ų12760.1 Ų60.155%0.55230%0.304SS*.EExtended strand (participates in β ladder)trans51.651.4171.4-159.3176.1-177.1172.90114.4P62 S64K54-P62 HydrophobicContact CG-CB 4.32Å; K54-S64 PolarHBondContact N-OG 3.37Å; K54-S64 VanDerWaalsContact N-OG 3.13Å
55V93.4Very high93.2Very high10 Ų1056.5 Ų56.56%0.06129%0.285CS..EExtended strand (participates in β ladder)trans-93.1130.5175.3-176.40000110.1D53 P62 I63 R109 I112D53-V55 PolarHBondContact O-N 3.5Å; V55-P62 WeakPolarHBondContact O-CA 3.41Å; V55-I63 PolarHBondContact N-O 3.17Å; V55-I63 PolarHBondContact O-N 3.46Å; V55-R109 HydrophobicContact CG1-CG 3.8Å; V55-R109 HydrophobicContact CG2-CB 4.45Å; V55-R109 HydrophobicContact CG2-CG 3.99Å; V55-I112 HydrophobicContact CB-CD1 4.46Å; V55-I112 HydrophobicContact CB-CG2 3.99Å; V55-I112 HydrophobicContact CG1-CB 3.88Å; V55-I112 HydrophobicContact CG1-CD1 4.49Å; V55-I112 HydrophobicContact CG1-CG2 3.51Å
56Y93.2Very high93.4Very high130 Ų13054.2 Ų54.251%0.5127%0.271SS..EExtended strand (participates in β ladder)trans-80.7127.1176.2-66.9-82.1000111.1G60 P62Y56-G60 WeakPolarHBondContact CD1-O 3.48Å; Y56-P62 HydrophobicContact CD1-CB 4.09Å; Y56-P62 HydrophobicContact CE1-CB 3.82Å; Y56-P62 HydrophobicContact CE1-CG 4.21Å
57T94.1Very high93.6Very high7 Ų752.4 Ų52.44%0.04326%0.261CS..  trans-73.8176.8171.755.10000112.1H59 G60 V61 I63 I112 L115 V117 I120T57-H59 PolarHBondContact O-N 3.42Å; T57-G60 PolarHBondContact O-N 3.19Å; T57-V61 PolarHBondContact N-O 3.18Å; T57-V61 PolarHBondContact OG1-N 3.27Å; T57-V61 PolarHBondContact OG1-O 3.3Å; T57-V61 VanDerWaalsContact OG1-O 3.05Å; T57-I63 HydrophobicContact CG2-CD1 3.57Å; T57-I63 HydrophobicContact CG2-CG1 3.87Å; T57-I63 HydrophobicContact CG2-CG2 4.43Å; T57-I112 HydrophobicContact CG2-CG2 3.99Å; T57-L115 WeakPolarHBondContact CB-O 3.2Å; T57-V117 HydrophobicContact CG2-CG2 3.69Å; T57-I120 HydrophobicContact CG2-CD1 4.27Å
58R93.2Very high93.6Very high172 Ų17250.5 Ų50.565%0.64925%0.247SC*.THydrogen-bonded Turntrans-51.1-32.5176.8-177.4177.3178.4-178-0.1114.1A113 L115R58-A113 WeakPolarHBondContact CA-O 3.43Å; R58-A113 PolarHBondContact N-O 3.41Å; R58-L115 WeakPolarHBondContact CB-O 3.26Å; R58-L115 PolarHBondContact N-O 2.96Å
59H91.2Very high93.7Very high129 Ų12949.8 Ų49.860%0.59724%0.244SC*.THydrogen-bonded Turntrans-96.79.2179.7-66.5-51.2000113.8T57 V61 T116T57-H59 PolarHBondContact O-N 3.42Å; H59-V61 VanDerWaalsContact C-N 3.32Å; H59-V61 PolarHBondContact O-N 3.15Å; H59-T116 VanDerWaalsContact CD2-CG2 3.45Å; H59-T116 WeakPolarHBondContact CD2-CG2 3.48Å; H59-T116 WeakPolarHBondContact NE2-CG2 3.38Å
60G88.9Confident93.7Very high44 Ų4450.1 Ų50.145%0.45424%0.243SC..SBendtrans7616.717700000114.5Y56 T57Y56-G60 WeakPolarHBondContact CD1-O 3.48Å; T57-G60 PolarHBondContact O-N 3.19Å
61V90.9Very high93.6Very high22 Ų2250.2 Ų50.213%0.13324%0.243CC..  trans-82.9121.8171.5-176.30000108.4T57 H59 I63 V117 Y160T57-V61 PolarHBondContact N-O 3.18Å; T57-V61 PolarHBondContact OG1-N 3.27Å; T57-V61 PolarHBondContact OG1-O 3.3Å; T57-V61 VanDerWaalsContact OG1-O 3.05Å; H59-V61 VanDerWaalsContact C-N 3.32Å; H59-V61 PolarHBondContact O-N 3.15Å; V61-I63 HydrophobicContact CG1-CG2 4.32Å; V61-V117 HydrophobicContact CB-CG2 3.71Å; V61-V117 HydrophobicContact CG1-CG2 3.86Å; V61-V117 HydrophobicContact CG2-CG2 4.29Å; V61-Y160 HydrophobicContact CG1-CD1 4.34Å; V61-Y160 HydrophobicContact CG1-CG 4.13Å; V61-Y160 HydrophobicContact CG2-CD2 4.4Å; V61-Y160 HydrophobicContact CG2-CE2 4.33Å
62P93.1Very high93.4Very high20 Ų2048.4 Ų48.413%0.1324%0.235CC..EExtended strand (participates in β ladder)trans-73.4126.9176.630.1-32.4000110K54 V55 Y56 D156 Q158K54-P62 HydrophobicContact CG-CB 4.32Å; V55-P62 WeakPolarHBondContact O-CA 3.41Å; Y56-P62 HydrophobicContact CD1-CB 4.09Å; Y56-P62 HydrophobicContact CE1-CB 3.82Å; Y56-P62 HydrophobicContact CE1-CG 4.21Å; P62-D156 VanDerWaalsContact O-OD1 3.09Å; P62-Q158 HydrophobicContact CG-CG 4.25Å
63I93.7Very high93.4Very high0 Ų048.9 Ų48.90%024%0.238CC..EExtended strand (participates in β ladder)trans-130.9150.1174.964.7172000110.7V55 T57 V61 V65 I112 V117 I120 V154 H155 D156V55-I63 PolarHBondContact N-O 3.17Å; V55-I63 PolarHBondContact O-N 3.46Å; T57-I63 HydrophobicContact CG2-CD1 3.57Å; T57-I63 HydrophobicContact CG2-CG1 3.87Å; T57-I63 HydrophobicContact CG2-CG2 4.43Å; V61-I63 HydrophobicContact CG1-CG2 4.32Å; I63-V65 HydrophobicContact CD1-CG2 3.69Å; I63-V65 HydrophobicContact CG1-CG2 3.98Å; I63-I112 HydrophobicContact CD1-CG2 3.84Å; I63-I112 HydrophobicContact CG1-CG2 3.96Å; I63-V117 HydrophobicContact CG2-CG1 4.35Å; I63-V117 HydrophobicContact CG2-CG2 3.86Å; I63-I120 HydrophobicContact CD1-CD1 3.67Å; I63-V154 HydrophobicContact CD1-CG1 4.37Å; I63-H155 CarbonylContact C-O 3.6Å; I63-H155 WeakPolarHBondContact CA-O 3.41Å; I63-D156 HydrophobicContact CG2-CB 4.47Å
64S94.1Very high93.2Very high17 Ų1745.7 Ų45.712%0.11922%0.219CC..EExtended strand (participates in β ladder)trans-111.1120.4174.4-650000108.6S52 K54 H155S52-S64 WeakPolarHBondContact O-CA 3.48Å; K54-S64 PolarHBondContact N-OG 3.37Å; K54-S64 VanDerWaalsContact N-OG 3.13Å; S64-H155 PolarHBondContact N-O 3.1Å; S64-H155 PolarHBondContact O-N 2.87Å
65V94.1Very high92.9Very high0 Ų040.3 Ų40.30%020%0.2CC..EExtended strand (participates in β ladder)trans-120.5131.8-171.8-179.30000110S52 I63 Q108 I112 F127 L151 V154S52-V65 PolarHBondContact N-O 3.47Å; S52-V65 PolarHBondContact O-N 3.16Å; I63-V65 HydrophobicContact CD1-CG2 3.69Å; I63-V65 HydrophobicContact CG1-CG2 3.98Å; V65-Q108 PolarHBondContact O-NE2 3.35Å; V65-I112 HydrophobicContact CB-CD1 3.83Å; V65-I112 HydrophobicContact CG1-CD1 4.4Å; V65-I112 HydrophobicContact CG2-CD1 3.7Å; V65-I112 HydrophobicContact CG2-CG1 4.37Å; V65-F127 HydrophobicContact CG1-CE1 4.41Å; V65-L151 HydrophobicContact CG1-CD1 3.23Å; V65-V154 HydrophobicContact CG1-CG2 4.38Å; V65-V154 HydrophobicContact CG2-CG1 4.25Å; V65-V154 HydrophobicContact CG2-CG2 4.35Å
66T95.5Very high92.5Very high28 Ų2848 Ų4817%0.17224%0.235CC..EExtended strand (participates in β ladder)trans-113.6121.6174.2-57.40000109.9N49 V50 K51 K152 D153N49-T66 WeakPolarHBondContact OD1-CG2 3.25Å; V50-T66 CarbonylContact O-C 3.58Å; V50-T66 WeakPolarHBondContact O-CA 3.49Å; K51-T66 HydrophobicContact CG-CG2 4.17Å; T66-K152 HydrophobicContact CG2-CB 4.19Å; T66-K152 HydrophobicContact CG2-CD 3.89Å; T66-K152 WeakPolarHBondContact O-CA 3.5Å; T66-K152 VanDerWaalsContact O-CB 3.27Å; T66-K152 WeakPolarHBondContact O-CB 3.42Å; T66-K152 PolarHBondContact O-N 3.39Å; T66-D153 PolarHBondContact N-O 3.29Å; T66-D153 PolarHBondContact O-N 3.03Å
67G95.2Very high92.3Very high0 Ų044.6 Ų44.60%023%0.226CC..EExtended strand (participates in β ladder)trans-113152173.800000112N49 V50 T150N49-G67 PolarHBondContact OD1-O 3.36Å; V50-G67 PolarHBondContact N-O 3.5Å; V50-G67 PolarHBondContact O-N 2.87Å; G67-T150 CarbonylContact C-O 3.13Å; G67-T150 WeakPolarHBondContact CA-O 3.33Å
68I96Very high92Very high49 Ų4952.8 Ų52.825%0.25126%0.261SS..EExtended strand (participates in β ladder)trans-112.4121.2168.5-63.1166.9000107.7T47 L48 T150 K152T47-I68 HydrophobicContact CG2-CG2 3.72Å; L48-I68 WeakPolarHBondContact O-CA 3.34Å; I68-T150 PolarHBondContact N-O 3.17Å; I68-T150 PolarHBondContact O-N 3.21Å; I68-T150 PolarHBondContact O-OG1 3.34Å; I68-K152 HydrophobicContact CD1-CB 4.16Å; I68-K152 HydrophobicContact CD1-CD 3.9Å; I68-K152 HydrophobicContact CD1-CG 4.09Å; I68-K152 HydrophobicContact CG1-CB 4.17Å; I68-K152 HydrophobicContact CG1-CD 4.19Å
69A95.8Very high91.8Very high0 Ų052 Ų520%027%0.265CS..EExtended strand (participates in β ladder)trans-111.4130.6175.100000109.9T47 L48 V50 L104 S148 Y149T47-A69 WeakPolarHBondContact CA-O 3.45Å; L48-A69 PolarHBondContact N-O 3.25Å; L48-A69 PolarHBondContact O-N 3.44Å; V50-A69 HydrophobicContact CG2-CB 4.15Å; A69-L104 HydrophobicContact CB-CD1 3.42Å; A69-L104 VanDerWaalsContact CB-CD1 3.42Å; A69-S148 WeakPolarHBondContact CA-O 3.41Å; A69-Y149 HydrophobicContact CB-CD2 4.01Å
70Q95Very high91.9Very high76 Ų7647.9 Ų47.936%0.35525%0.246SC..EExtended strand (participates in β ladder)trans-105.3126.5168.2-66.7179.7-21.800108.2T45 L46 T47 V147 S148T45-Q70 HydrophobicContact CG2-CB 4.03Å; L46-Q70 WeakPolarHBondContact O-CA 3.23Å; T47-Q70 HydrophobicContact CG2-CG 4.44Å; Q70-V147 HydrophobicContact CB-CB 4.29Å; Q70-V147 WeakPolarHBondContact O-CB 3.46Å; Q70-V147 PolarHBondContact O-N 3.39Å; Q70-S148 PolarHBondContact N-O 3.21Å; Q70-S148 PolarHBondContact O-N 3.35Å; Q70-S148 PolarHBondContact OE1-OG 3.04Å
71M93.6Very high92Very high2 Ų246 Ų461%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-138.1158.2-17963176.565.300110.8T45 L46 L48 A100 L104 I144 S145T45-M71 CarbonylContact C-O 3.56Å; T45-M71 WeakPolarHBondContact CA-O 3.33Å; L46-M71 HydrophobicContact CB-CG 4.12Å; L46-M71 PolarHBondContact N-O 3Å; L46-M71 PolarHBondContact O-N 3.35Å; L48-M71 HydrophobicContact CD1-CE 3.25Å; L48-M71 HydrophobicContact CD1-SD 3.62Å; L48-M71 HydrophobicContact CG-CE 3.94Å; L48-M71 HydrophobicContact CG-SD 4.2Å; M71-A100 HydrophobicContact CE-CB 3.73Å; M71-A100 HydrophobicContact SD-CB 3.39Å; M71-A100 WeakPolarHBondContact SD-CB 3.47Å; M71-L104 HydrophobicContact CE-CD1 3.23Å; M71-L104 HydrophobicContact CE-CG 4.25Å; M71-I144 HydrophobicContact CB-CG2 3.86Å; M71-I144 HydrophobicContact CG-CG2 4.22Å; M71-I144 HydrophobicContact SD-CG2 3.8Å; M71-S145 CarbonylContact C-O 3.59Å; M71-S145 VanDerWaalsContact CA-O 3.26Å; M71-S145 WeakPolarHBondContact CA-O 3.5Å
72K93.1Very high91.9Very high75 Ų7546.1 Ų46.133%0.32623%0.229SC..EExtended strand (participates in β ladder)trans-147.9154.8174.966.2180-175.1175.90110.1S145 V147K72-S145 PolarHBondContact N-O 3.33Å; K72-S145 PolarHBondContact O-N 3.48Å; K72-V147 HydrophobicContact CD-CG2 4.06Å; K72-V147 HydrophobicContact CG-CG2 3.92Å
73I92.8Very high91.8Very high9 Ų946.1 Ų46.15%0.04623%0.231CC..EExtended strand (participates in β ladder)trans-75.5129.4170.1-62.1176.4000108.1I41 L43 G75 L81 A84I41-I73 HydrophobicContact CD1-CD1 3.53Å; I41-I73 HydrophobicContact CG1-CD1 3.82Å; L43-I73 HydrophobicContact CD2-CB 3.99Å; L43-I73 HydrophobicContact CD2-CG2 3.83Å; I73-G75 PolarHBondContact O-N 3.4Å; I73-L81 HydrophobicContact CG2-CD1 4.44Å; I73-A84 HydrophobicContact CG2-CB 3.63Å
74Q89Confident91.8Very high42 Ų4246.1 Ų46.120%0.19623%0.231CC..  trans-84103.5-175.3-177.664.3-53.900111.2N77 M80 G143Q74-N77 HydrophobicContact CG-CB 4.19Å; Q74-M80 HydrophobicContact CB-CB 4.34Å; Q74-M80 HydrophobicContact CB-SD 4.01Å; Q74-M80 HydrophobicContact CG-SD 4.11Å; Q74-G143 PolarHBondContact N-O 3.31Å
75G85.1Confident91.5Very high14 Ų1445.8 Ų45.814%0.14423%0.228CC..SBendtrans-78.7-18.9179.800000115.4A25 I73A25-G75 WeakPolarHBondContact CB-O 3.43Å; I73-G75 PolarHBondContact O-N 3.4Å
76Q85.3Confident91.2Very high172 Ų17253.5 Ų53.580%0.80426%0.264SS*.SBendtrans-76.7-35.9-177.5-68.6-177.2-8.800113.1
77N89.1Confident90.8Very high58 Ų5856 Ų5631%0.3128%0.275SS..  trans-90.7112.8-179.6-175-16.6000109.6Q74 Q79 M80 L81Q74-N77 HydrophobicContact CG-CB 4.19Å; N77-Q79 PolarHBondContact O-N 3.43Å; N77-Q79 PolarHBondContact OD1-N 3.28Å; N77-M80 HydrophobicContact CB-CB 4.16Å; N77-M80 HydrophobicContact CB-CG 4.19Å; N77-M80 HydrophobicContact CB-SD 4.35Å; N77-M80 PolarHBondContact O-N 3.5Å; N77-L81 WeakPolarHBondContact O-CB 3.43Å; N77-L81 PolarHBondContact O-N 3.49Å
78K87.6Confident90.6Very high179 Ų17956 Ų5678%0.77828%0.275SS*.Hα-helixtrans-57.8-33.2-179.5-68-177179178.60113.3A82K78-A82 VanDerWaalsContact O-CB 3.32Å; K78-A82 WeakPolarHBondContact O-CB 3.45Å; K78-A82 PolarHBondContact O-N 2.74Å
79Q89.7Confident90.1Very high157 Ų15756.3 Ų56.373%0.73428%0.276SS*.Hα-helixtrans-72-46.7179.7-67.2176-14.900111.6N77 L81 A82 A83N77-Q79 PolarHBondContact O-N 3.43Å; N77-Q79 PolarHBondContact OD1-N 3.28Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; Q79-A82 PolarHBondContact O-N 3.4Å; Q79-A83 PolarHBondContact O-N 3.26Å
80M91.3Very high89.6Confident41 Ų4159.6 Ų59.620%0.20231%0.31CS..Hα-helixtrans-64.3-41.2175.9-69.2-174.1-175.600111.4Q74 N77 A82 A83 A84 V140 G143Q74-M80 HydrophobicContact CB-CB 4.34Å; Q74-M80 HydrophobicContact CB-SD 4.01Å; Q74-M80 HydrophobicContact CG-SD 4.11Å; N77-M80 HydrophobicContact CB-CB 4.16Å; N77-M80 HydrophobicContact CB-CG 4.19Å; N77-M80 HydrophobicContact CB-SD 4.35Å; N77-M80 PolarHBondContact O-N 3.5Å; M80-A82 VanDerWaalsContact C-N 3.29Å; M80-A82 PolarHBondContact O-N 3.29Å; M80-A83 PolarHBondContact O-N 3.37Å; M80-A84 WeakPolarHBondContact O-CB 3.41Å; M80-A84 PolarHBondContact O-N 3.46Å; M80-V140 HydrophobicContact CE-CB 4.21Å; M80-V140 HydrophobicContact CE-CG1 3.38Å; M80-V140 HydrophobicContact CE-CG2 3.88Å; M80-V140 HydrophobicContact SD-CG1 4.47Å; M80-G143 WeakPolarHBondContact O-CA 3.34Å
81L91.3Very high89.4Confident5 Ų560.4 Ų60.43%0.02631%0.312CS..Hα-helixtrans-61.4-40.3175.5-175.761.1000111.2A10 M23 A25 L43 I73 N77 Q79 A84 C85A10-L81 HydrophobicContact CB-CD1 3.88Å; A10-L81 HydrophobicContact CB-CD2 4.35Å; M23-L81 HydrophobicContact CB-CD2 3.99Å; M23-L81 HydrophobicContact CB-CG 4.44Å; M23-L81 HydrophobicContact SD-CG 4.44Å; A25-L81 HydrophobicContact CB-CD2 4.34Å; L43-L81 HydrophobicContact CD2-CD1 4.39Å; I73-L81 HydrophobicContact CG2-CD1 4.44Å; N77-L81 WeakPolarHBondContact O-CB 3.43Å; N77-L81 PolarHBondContact O-N 3.49Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; L81-A84 PolarHBondContact O-N 3.38Å; L81-C85 VanDerWaalsContact O-CB 3.3Å; L81-C85 WeakPolarHBondContact O-CB 3.31Å; L81-C85 PolarHBondContact O-N 3.24Å; L81-C85 PolarHBondContact O-SG 3Å
82A90.3Very high89.2Confident24 Ų2463 Ų6320%0.19833%0.331CS..Hα-helixtrans-63.6-44.2175.700000113.1M23 K78 Q79 M80 C85 Q86M23-A82 HydrophobicContact CE-CB 3.66Å; M23-A82 WeakPolarHBondContact SD-CA 3.47Å; M23-A82 HydrophobicContact SD-CB 3.74Å; K78-A82 VanDerWaalsContact O-CB 3.32Å; K78-A82 WeakPolarHBondContact O-CB 3.45Å; K78-A82 PolarHBondContact O-N 2.74Å; Q79-A82 PolarHBondContact O-N 3.4Å; M80-A82 VanDerWaalsContact C-N 3.29Å; M80-A82 PolarHBondContact O-N 3.29Å; A82-C85 PolarHBondContact O-N 3.27Å; A82-Q86 VanDerWaalsContact O-CG 3.31Å; A82-Q86 WeakPolarHBondContact O-CG 3.38Å; A82-Q86 PolarHBondContact O-N 2.77Å
83A91.2Very high89Confident21 Ų2164.3 Ų64.317%0.17434%0.338CS..Hα-helixtrans-61.7-46.7175.600000111.7Q79 M80 C85 Q86 M87Q79-A83 PolarHBondContact O-N 3.26Å; M80-A83 PolarHBondContact O-N 3.37Å; A83-C85 VanDerWaalsContact C-N 3.35Å; A83-C85 PolarHBondContact O-N 3.47Å; A83-Q86 PolarHBondContact O-N 3.15Å; A83-Q86 VanDerWaalsContact O-N 3.1Å; A83-M87 PolarHBondContact O-N 3.2Å
84A92Very high89Confident0 Ų067.4 Ų67.40%036%0.364CS..Hα-helixtrans-61.1-42.9176.600000112I73 M80 L81 Q86 M87 F88 M142I73-A84 HydrophobicContact CG2-CB 3.63Å; M80-A84 WeakPolarHBondContact O-CB 3.41Å; M80-A84 PolarHBondContact O-N 3.46Å; L81-A84 PolarHBondContact O-N 3.38Å; A84-Q86 VanDerWaalsContact C-N 3.28Å; A84-Q86 PolarHBondContact O-N 3.16Å; A84-M87 PolarHBondContact O-N 3.28Å; A84-F88 HydrophobicContact CB-CD2 4.1Å; A84-F88 WeakPolarHBondContact O-CB 3.36Å; A84-F88 WeakPolarHBondContact O-CD2 3.35Å; A84-F88 PolarHBondContact O-N 3.32Å; A84-M142 WeakPolarHBondContact CA-O 3.5Å; A84-M142 PolarHBondContact N-O 3.04Å
85C89.6Confident89.1Confident10 Ų1070 Ų707%0.06838%0.377CS..Hα-helixtrans-68.8-25176.4-65.80000112.6V12 M23 L81 A82 A83 M89V12-C85 HydrophobicContact CG2-CB 3.9Å; V12-C85 WeakPolarHBondContact CG2-SG 3.36Å; M23-C85 HydrophobicContact SD-CB 4.28Å; L81-C85 VanDerWaalsContact O-CB 3.3Å; L81-C85 WeakPolarHBondContact O-CB 3.31Å; L81-C85 PolarHBondContact O-N 3.24Å; L81-C85 PolarHBondContact O-SG 3Å; A82-C85 PolarHBondContact O-N 3.27Å; A83-C85 VanDerWaalsContact C-N 3.35Å; A83-C85 PolarHBondContact O-N 3.47Å; C85-M89 WeakPolarHBondContact O-CB 3.28Å
86Q87.8Confident89.5Confident162 Ų16269.8 Ų69.876%0.75737%0.372SS*.Hα-helixtrans-77.7-36.9173.4-75.7174.1-1700111.9A82 A83 A84A82-Q86 VanDerWaalsContact O-CG 3.31Å; A82-Q86 WeakPolarHBondContact O-CG 3.38Å; A82-Q86 PolarHBondContact O-N 2.77Å; A83-Q86 PolarHBondContact O-N 3.15Å; A83-Q86 VanDerWaalsContact O-N 3.1Å; A84-Q86 VanDerWaalsContact C-N 3.28Å; A84-Q86 PolarHBondContact O-N 3.16Å
87M87Confident89.8Confident79 Ų7962.5 Ų62.539%0.38934%0.341SS..Hα-helixtrans-87.6-33-174.4-70.7-17269.100115A83 A84 K91 M142A83-M87 PolarHBondContact O-N 3.2Å; A84-M87 PolarHBondContact O-N 3.28Å; M87-K91 PolarHBondContact O-NZ 3.24Å; M87-M142 HydrophobicContact CE-CB 4.14Å; M87-M142 HydrophobicContact CE-CG 3.61Å; M87-M142 HydrophobicContact CE-SD 3.66Å; M87-M142 VanDerWaalsContact SD-CA 3.58Å; M87-M142 HydrophobicContact SD-CB 3.69Å; M87-M142 HydrophobicContact SD-CG 3.63Å; M87-M142 HydrophobicContact SD-SD 4.45Å
88F90.4Very high90Very high2 Ų264.6 Ų64.61%0.00935%0.349CS..SBendtrans-115.1-1.1-168.5-56.8-53.6000114.2I41 A84 G90 K91 I96 I99 M142 I144I41-F88 HydrophobicContact CD1-CB 4.15Å; A84-F88 HydrophobicContact CB-CD2 4.1Å; A84-F88 WeakPolarHBondContact O-CB 3.36Å; A84-F88 WeakPolarHBondContact O-CD2 3.35Å; A84-F88 PolarHBondContact O-N 3.32Å; F88-G90 PolarHBondContact O-N 3.19Å; F88-K91 HydrophobicContact CD1-CD 4.45Å; F88-K91 WeakPolarHBondContact O-CB 3.37Å; F88-K91 PolarHBondContact O-N 3.41Å; F88-K91 VanDerWaalsContact O-N 3.08Å; F88-I96 HydrophobicContact CB-CD1 3.73Å; F88-I96 HydrophobicContact CB-CG1 3.81Å; F88-I96 HydrophobicContact CD1-CB 4.27Å; F88-I96 HydrophobicContact CD1-CG1 3.76Å; F88-I96 HydrophobicContact CD1-CG2 4.03Å; F88-I96 HydrophobicContact CD2-CG2 4.34Å; F88-I96 HydrophobicContact CE1-CG2 4.16Å; F88-I96 HydrophobicContact CE2-CG2 4.47Å; F88-I96 HydrophobicContact CG-CD1 4.17Å; F88-I96 HydrophobicContact CG-CG1 3.88Å; F88-I96 HydrophobicContact CG-CG2 4.14Å; F88-I96 HydrophobicContact CZ-CG2 4.4Å; F88-I99 HydrophobicContact CD1-CD1 4.3Å; F88-I99 HydrophobicContact CE1-CB 4.41Å; F88-I99 HydrophobicContact CE1-CD1 4Å; F88-I99 HydrophobicContact CE1-CG2 4.19Å; F88-M142 HydrophobicContact CE2-CB 4.36Å; F88-M142 WeakPolarHBondContact CE2-O 3.47Å; F88-M142 HydrophobicContact CZ-CB 4.2Å; F88-I144 HydrophobicContact CE2-CD1 3.64Å; F88-I144 HydrophobicContact CE2-CG1 3.73Å; F88-I144 HydrophobicContact CZ-CD1 3.5Å; F88-I144 HydrophobicContact CZ-CG1 4.12Å
89M86Confident90.3Very high54 Ų5458 Ų5827%0.26632%0.322SS..THydrogen-bonded Turntrans-68.2130-179.9-170.781.8-87.900111.2V12 Q39 C85 K91V12-M89 HydrophobicContact CB-SD 4.25Å; V12-M89 HydrophobicContact CG2-SD 4.15Å; Q39-M89 HydrophobicContact CB-CE 3.33Å; Q39-M89 HydrophobicContact CB-SD 3.45Å; Q39-M89 WeakPolarHBondContact CB-SD 3.37Å; Q39-M89 HydrophobicContact CG-CE 4.27Å; Q39-M89 HydrophobicContact CG-SD 4.23Å; Q39-M89 PolarHBondContact OE1-SD 2.89Å; C85-M89 WeakPolarHBondContact O-CB 3.28Å; M89-K91 VanDerWaalsContact C-N 3.28Å
90G84.8Confident90.4Very high69 Ų6950.5 Ų50.571%0.71129%0.287SS*.THydrogen-bonded Turntrans82.5-4.4-173.200000114.9F88F88-G90 PolarHBondContact O-N 3.19Å
91K89.4Confident90.6Very high94 Ų9450.9 Ų50.941%0.40929%0.289SS..  trans-90150.6173.6-65.5-174.6179.7164.70111.6M87 F88 M89 E95 I96 I99M87-K91 PolarHBondContact O-NZ 3.24Å; F88-K91 HydrophobicContact CD1-CD 4.45Å; F88-K91 WeakPolarHBondContact O-CB 3.37Å; F88-K91 PolarHBondContact O-N 3.41Å; F88-K91 VanDerWaalsContact O-N 3.08Å; M89-K91 VanDerWaalsContact C-N 3.28Å; K91-E95 VanDerWaalsContact CA-OE2 3.23Å; K91-E95 WeakPolarHBondContact CA-OE2 3.49Å; K91-E95 HydrophobicContact CB-CB 4.17Å; K91-E95 WeakPolarHBondContact CB-OE2 3.42Å; K91-I96 HydrophobicContact CB-CG1 4.27Å; K91-I99 HydrophobicContact CD-CD1 3.93Å; K91-I99 VanDerWaalsContact NZ-CD1 3.3Å
92S91.3Very high90.7Very high57 Ų5755.8 Ų55.840%0.39931%0.312SS..  trans-75.9158.2171.768.10000111.7A94 E95 I96S92-A94 PolarHBondContact O-N 3.02Å; S92-E95 PolarHBondContact N-OE2 3.49Å; S92-E95 PolarHBondContact O-N 3.35Å; S92-E95 VanDerWaalsContact O-N 3.08Å; S92-E95 WeakPolarHBondContact OG-CG 3.49Å; S92-E95 PolarHBondContact OG-N 3.27Å; S92-E95 PolarHBondContact OG-OE2 3.23Å; S92-I96 WeakPolarHBondContact O-CG1 3.44Å; S92-I96 PolarHBondContact O-N 3.14Å; S92-I96 VanDerWaalsContact O-N 3.1Å
93E89.1Confident90.8Very high102 Ų10256 Ų5648%0.47731%0.311SS..Hα-helixtrans-57.2-32.8176.1-66.1-174.3159.400112.5S42 I96 A97S42-E93 WeakPolarHBondContact CB-OE1 3.48Å; S42-E93 PolarHBondContact OG-OE1 3.26Å; E93-I96 PolarHBondContact O-N 3.3Å; E93-A97 VanDerWaalsContact O-CB 3.29Å; E93-A97 WeakPolarHBondContact O-CB 3.46Å; E93-A97 PolarHBondContact O-N 3.15Å
94A91.6Very high90.9Very high73 Ų7355.1 Ų55.160%0.60330%0.303SS*.Hα-helixtrans-67.3-38.3176.800000112.6S92 A97 H98S92-A94 PolarHBondContact O-N 3.02Å; A94-A97 PolarHBondContact O-N 2.86Å; A94-H98 WeakPolarHBondContact O-CB 3.4Å; A94-H98 PolarHBondContact O-N 3.27Å
95E92.3Very high91.1Very high98 Ų9857.4 Ų57.446%0.45831%0.314SS..Hα-helixtrans-70-39.1176.1-70.8166.9152.500111.5K91 S92 A97 H98 I99K91-E95 VanDerWaalsContact CA-OE2 3.23Å; K91-E95 WeakPolarHBondContact CA-OE2 3.49Å; K91-E95 HydrophobicContact CB-CB 4.17Å; K91-E95 WeakPolarHBondContact CB-OE2 3.42Å; S92-E95 PolarHBondContact N-OE2 3.49Å; S92-E95 PolarHBondContact O-N 3.35Å; S92-E95 VanDerWaalsContact O-N 3.08Å; S92-E95 WeakPolarHBondContact OG-CG 3.49Å; S92-E95 PolarHBondContact OG-N 3.27Å; S92-E95 PolarHBondContact OG-OE2 3.23Å; E95-A97 VanDerWaalsContact C-N 3.34Å; E95-H98 PolarHBondContact O-N 3.38Å; E95-I99 WeakPolarHBondContact O-CG1 3.41Å; E95-I99 PolarHBondContact O-N 3.35Å
96I91.8Very high91.3Very high9 Ų958.6 Ų58.65%0.04633%0.328CS..Hα-helixtrans-62-46.1174-59.4171.8000109.8L46 F88 K91 S92 E93 H98 I99 A100 I144L46-I96 HydrophobicContact CD1-CG2 4.47Å; F88-I96 HydrophobicContact CB-CD1 3.73Å; F88-I96 HydrophobicContact CB-CG1 3.81Å; F88-I96 HydrophobicContact CD1-CB 4.27Å; F88-I96 HydrophobicContact CD1-CG1 3.76Å; F88-I96 HydrophobicContact CD1-CG2 4.03Å; F88-I96 HydrophobicContact CD2-CG2 4.34Å; F88-I96 HydrophobicContact CE1-CG2 4.16Å; F88-I96 HydrophobicContact CE2-CG2 4.47Å; F88-I96 HydrophobicContact CG-CD1 4.17Å; F88-I96 HydrophobicContact CG-CG1 3.88Å; F88-I96 HydrophobicContact CG-CG2 4.14Å; F88-I96 HydrophobicContact CZ-CG2 4.4Å; K91-I96 HydrophobicContact CB-CG1 4.27Å; S92-I96 WeakPolarHBondContact O-CG1 3.44Å; S92-I96 PolarHBondContact O-N 3.14Å; S92-I96 VanDerWaalsContact O-N 3.1Å; E93-I96 PolarHBondContact O-N 3.3Å; I96-H98 VanDerWaalsContact C-N 3.3Å; I96-H98 PolarHBondContact O-N 3.38Å; I96-I99 PolarHBondContact O-N 3.17Å; I96-A100 WeakPolarHBondContact O-CB 3.31Å; I96-A100 PolarHBondContact O-N 3.48Å; I96-I144 HydrophobicContact CG2-CD1 4.47Å
97A92.6Very high91.5Very high19 Ų1952.5 Ų52.516%0.15730%0.299CS..Hα-helixtrans-58.3-41.8175.300000111.8L48 E93 A94 E95 A100 L101L48-A97 WeakPolarHBondContact CD1-O 3.36Å; L48-A97 HydrophobicContact CD2-CB 3.57Å; E93-A97 VanDerWaalsContact O-CB 3.29Å; E93-A97 WeakPolarHBondContact O-CB 3.46Å; E93-A97 PolarHBondContact O-N 3.15Å; A94-A97 PolarHBondContact O-N 2.86Å; E95-A97 VanDerWaalsContact C-N 3.34Å; A97-A100 PolarHBondContact O-N 3.45Å; A97-L101 WeakPolarHBondContact O-CB 3.47Å; A97-L101 PolarHBondContact O-N 3.33Å
98H94Very high91.9Very high102 Ų10248.8 Ų48.847%0.47228%0.281SS..Hα-helixtrans-63.5-47.4178-168.8-80.6000112.6A94 E95 I96 A100 L101 E102A94-H98 WeakPolarHBondContact O-CB 3.4Å; A94-H98 PolarHBondContact O-N 3.27Å; E95-H98 PolarHBondContact O-N 3.38Å; I96-H98 VanDerWaalsContact C-N 3.3Å; I96-H98 PolarHBondContact O-N 3.38Å; H98-A100 VanDerWaalsContact C-N 3.31Å; H98-A100 PolarHBondContact O-N 3.36Å; H98-L101 WeakPolarHBondContact O-CB 3.45Å; H98-L101 PolarHBondContact O-N 3.46Å; H98-E102 VanDerWaalsContact CE1-CD 3.46Å; H98-E102 IonicContact CE1-OE1 2.87Å; H98-E102 PolarHBondContact CE1-OE1 3.42Å; H98-E102 IonicContact ND1-OE1 3.63Å; H98-E102 IonicContact ND1-OE2 2.8Å; H98-E102 WeakPolarHBondContact O-CG 3.25Å; H98-E102 PolarHBondContact O-N 3.29Å
99I92.5Very high92.1Very high40 Ų4053.2 Ų53.221%0.20530%0.298CS..Hα-helixtrans-61-43.5179.1-65.9162.7000110.8F88 K91 E95 I96 T103 M142F88-I99 HydrophobicContact CD1-CD1 4.3Å; F88-I99 HydrophobicContact CE1-CB 4.41Å; F88-I99 HydrophobicContact CE1-CD1 4Å; F88-I99 HydrophobicContact CE1-CG2 4.19Å; K91-I99 HydrophobicContact CD-CD1 3.93Å; K91-I99 VanDerWaalsContact NZ-CD1 3.3Å; E95-I99 WeakPolarHBondContact O-CG1 3.41Å; E95-I99 PolarHBondContact O-N 3.35Å; I96-I99 PolarHBondContact O-N 3.17Å; I99-T103 PolarHBondContact O-N 3.38Å; I99-T103 PolarHBondContact O-OG1 3.34Å; I99-M142 HydrophobicContact CG2-SD 4.33Å
100A92.8Very high92.5Very high0 Ų052.9 Ų52.90%030%0.303CS..Hα-helixtrans-71.3-32.8179.100000112.5L48 M71 I96 A97 H98 L104 L139 I144L48-A100 HydrophobicContact CD1-CB 3.94Å; M71-A100 HydrophobicContact CE-CB 3.73Å; M71-A100 HydrophobicContact SD-CB 3.39Å; M71-A100 WeakPolarHBondContact SD-CB 3.47Å; I96-A100 WeakPolarHBondContact O-CB 3.31Å; I96-A100 PolarHBondContact O-N 3.48Å; A97-A100 PolarHBondContact O-N 3.45Å; H98-A100 VanDerWaalsContact C-N 3.31Å; H98-A100 PolarHBondContact O-N 3.36Å; A100-L104 WeakPolarHBondContact O-CB 3.36Å; A100-L104 WeakPolarHBondContact O-CG 3.47Å; A100-L104 PolarHBondContact O-N 3.39Å; A100-L139 HydrophobicContact CB-CD2 4.14Å; A100-I144 HydrophobicContact CB-CD1 3.89Å
101L94.9Very high92.9Very high48 Ų4850.7 Ų50.725%0.25128%0.275SS..Hα-helixtrans-62.3-50.4173.7179.668.5000111L48 N49 V50 A97 H98 T103 L104 E105L48-L101 HydrophobicContact CB-CD1 4.45Å; L48-L101 HydrophobicContact CD1-CB 4.2Å; N49-L101 WeakPolarHBondContact O-CD1 3.47Å; V50-L101 HydrophobicContact CB-CD1 4.28Å; V50-L101 HydrophobicContact CG1-CD1 4.42Å; V50-L101 HydrophobicContact CG2-CD1 4.08Å; A97-L101 WeakPolarHBondContact O-CB 3.47Å; A97-L101 PolarHBondContact O-N 3.33Å; H98-L101 WeakPolarHBondContact O-CB 3.45Å; H98-L101 PolarHBondContact O-N 3.46Å; L101-T103 VanDerWaalsContact C-N 3.3Å; L101-T103 PolarHBondContact O-N 3.15Å; L101-L104 PolarHBondContact O-N 3.32Å; L101-E105 VanDerWaalsContact O-CB 3.28Å; L101-E105 WeakPolarHBondContact O-CB 3.43Å; L101-E105 PolarHBondContact O-N 3.02Å
102E92.9Very high93.2Very high109 Ų10946.2 Ų46.251%0.50926%0.256SS..Hα-helixtrans-59.1-42.2179-72.8-178.6147.100111.8H98 E105 G106H98-E102 VanDerWaalsContact CE1-CD 3.46Å; H98-E102 IonicContact CE1-OE1 2.87Å; H98-E102 PolarHBondContact CE1-OE1 3.42Å; H98-E102 IonicContact ND1-OE1 3.63Å; H98-E102 IonicContact ND1-OE2 2.8Å; H98-E102 WeakPolarHBondContact O-CG 3.25Å; H98-E102 PolarHBondContact O-N 3.29Å; E102-E105 PolarHBondContact O-N 3.42Å; E102-G106 PolarHBondContact O-N 3.36Å
103T92.9Very high93.2Very high29 Ų2945.7 Ų45.718%0.17825%0.254CS..Hα-helixtrans-64.6-47177.9-53.10000111.2I99 L101 G106 H107 D138 M142I99-T103 PolarHBondContact O-N 3.38Å; I99-T103 PolarHBondContact O-OG1 3.34Å; L101-T103 VanDerWaalsContact C-N 3.3Å; L101-T103 PolarHBondContact O-N 3.15Å; T103-G106 PolarHBondContact O-N 3.47Å; T103-H107 PolarHBondContact O-CD2 3.08Å; T103-H107 PolarHBondContact O-N 3.22Å; T103-H107 VanDerWaalsContact O-N 3.12Å; T103-D138 VanDerWaalsContact CG2-OD2 3.28Å; T103-D138 WeakPolarHBondContact CG2-OD2 3.48Å; T103-M142 HydrophobicContact CG2-CE 3.71Å; T103-M142 WeakPolarHBondContact OG1-CE 3.34Å
104L94.1Very high93.4Very high1 Ų147.6 Ų47.61%0.00526%0.263CS..Hα-helixtrans-63.7-41.6177.5-84.5172.1000112.6L48 V50 A69 M71 A100 L101 G106 H107 Q108 A135 L139L48-L104 HydrophobicContact CD1-CD1 4.44Å; V50-L104 HydrophobicContact CG1-CB 4.18Å; V50-L104 HydrophobicContact CG2-CB 3.92Å; V50-L104 HydrophobicContact CG2-CD1 3.94Å; A69-L104 HydrophobicContact CB-CD1 3.42Å; A69-L104 VanDerWaalsContact CB-CD1 3.42Å; M71-L104 HydrophobicContact CE-CD1 3.23Å; M71-L104 HydrophobicContact CE-CG 4.25Å; A100-L104 WeakPolarHBondContact O-CB 3.36Å; A100-L104 WeakPolarHBondContact O-CG 3.47Å; A100-L104 PolarHBondContact O-N 3.39Å; L101-L104 PolarHBondContact O-N 3.32Å; L104-G106 VanDerWaalsContact C-N 3.31Å; L104-G106 PolarHBondContact O-N 3.3Å; L104-H107 PolarHBondContact O-N 2.97Å; L104-Q108 VanDerWaalsContact O-CB 3.29Å; L104-Q108 WeakPolarHBondContact O-CB 3.47Å; L104-Q108 PolarHBondContact O-N 3.36Å; L104-A135 HydrophobicContact CD2-CB 3.46Å; L104-A135 VanDerWaalsContact CD2-CB 3.46Å; L104-L139 HydrophobicContact CD2-CD1 4.03Å; L104-L139 HydrophobicContact CG-CD1 4.03Å
105E94.6Very high93.4Very high49 Ų4944.9 Ų44.923%0.22924%0.238CC..Hα-helixtrans-62.5-40.9177.7-168.4-159.7137.900111V50 S52 L101 E102 Q108 R109V50-E105 HydrophobicContact CG1-CB 3.9Å; V50-E105 HydrophobicContact CG1-CG 4.38Å; S52-E105 WeakPolarHBondContact OG-CG 3.47Å; L101-E105 VanDerWaalsContact O-CB 3.28Å; L101-E105 WeakPolarHBondContact O-CB 3.43Å; L101-E105 PolarHBondContact O-N 3.02Å; E102-E105 PolarHBondContact O-N 3.42Å; E105-Q108 PolarHBondContact O-N 3.01Å; E105-R109 VanDerWaalsContact O-CB 3.27Å; E105-R109 WeakPolarHBondContact O-CB 3.49Å; E105-R109 PolarHBondContact O-N 3.15Å; E105-R109 IonicContact OE1-CZ 2.8Å; E105-R109 VanDerWaalsContact OE1-CZ 3.23Å; E105-R109 IonicContact OE1-NH1 3.47Å; E105-R109 PolarHBondContact OE1-NH1 3.25Å; E105-R109 IonicContact OE1-NH2 3.82Å; E105-R109 PolarHBondContact OE1-NH2 3.41Å
106G93.8Very high93.5Very high34 Ų3440.9 Ų40.935%0.35122%0.221SC..Hα-helixtrans-57.5-49.917300000112.5E102 T103 L104 R109 A110E102-G106 PolarHBondContact O-N 3.36Å; T103-G106 PolarHBondContact O-N 3.47Å; L104-G106 VanDerWaalsContact C-N 3.31Å; L104-G106 PolarHBondContact O-N 3.3Å; G106-R109 PolarHBondContact O-N 3.34Å; G106-A110 PolarHBondContact O-N 3.49Å
107H93.6Very high93.4Very high35 Ų3540.5 Ų40.516%0.16222%0.219CC..Hα-helixtrans-65.3-43.6177.6-70.9-53.3000112.3T103 L104 R109 A110 I111 V134 A135 D138T103-H107 PolarHBondContact O-CD2 3.08Å; T103-H107 PolarHBondContact O-N 3.22Å; T103-H107 VanDerWaalsContact O-N 3.12Å; L104-H107 PolarHBondContact O-N 2.97Å; H107-R109 VanDerWaalsContact C-N 3.33Å; H107-R109 PolarHBondContact O-N 3.2Å; H107-A110 PolarHBondContact O-N 2.72Å; H107-I111 WeakPolarHBondContact O-CG1 3.42Å; H107-I111 PolarHBondContact O-N 3.22Å; H107-V134 WeakPolarHBondContact ND1-CG1 3.29Å; H107-A135 HydrophobicContact CB-CB 4.48Å; H107-D138 IonicContact CE1-OD2 2.81Å; H107-D138 IonicContact NE2-OD2 3.82Å; H107-D138 PolarHBondContact NE2-OD2 2.96Å
108Q94.6Very high93.3Very high0 Ų041.5 Ų41.50%022%0.22CC..Hα-helixtrans-57-47.7175.6179.6178-40.300110.8S52 V65 L104 E105 A110 I111 I112 F127 V131 Y149S52-Q108 PolarHBondContact OG-NE2 3.36Å; V65-Q108 PolarHBondContact O-NE2 3.35Å; L104-Q108 VanDerWaalsContact O-CB 3.29Å; L104-Q108 WeakPolarHBondContact O-CB 3.47Å; L104-Q108 PolarHBondContact O-N 3.36Å; E105-Q108 PolarHBondContact O-N 3.01Å; Q108-A110 PolarHBondContact O-N 3.22Å; Q108-I111 PolarHBondContact O-N 3.37Å; Q108-I112 HydrophobicContact CG-CD1 3.87Å; Q108-I112 WeakPolarHBondContact O-CD1 3.22Å; Q108-I112 WeakPolarHBondContact O-CG1 3.34Å; Q108-I112 PolarHBondContact O-N 3.36Å; Q108-F127 HydrophobicContact CG-CZ 4.21Å; Q108-V131 HydrophobicContact CB-CG1 4.47Å; Q108-Y149 VanDerWaalsContact CD-OH 3.31Å; Q108-Y149 PolarHBondContact OE1-OH 3.41Å
109R94.3Very high93.1Very high96 Ų9640.1 Ų40.136%0.36221%0.214SC..Hα-helixtrans-61.2-43.4177.4-178.9178.3-72.3110.4-2.6112.2V55 E105 G106 H107 I112 A113V55-R109 HydrophobicContact CG1-CG 3.8Å; V55-R109 HydrophobicContact CG2-CB 4.45Å; V55-R109 HydrophobicContact CG2-CG 3.99Å; E105-R109 VanDerWaalsContact O-CB 3.27Å; E105-R109 WeakPolarHBondContact O-CB 3.49Å; E105-R109 PolarHBondContact O-N 3.15Å; E105-R109 IonicContact OE1-CZ 2.8Å; E105-R109 VanDerWaalsContact OE1-CZ 3.23Å; E105-R109 IonicContact OE1-NH1 3.47Å; E105-R109 PolarHBondContact OE1-NH1 3.25Å; E105-R109 IonicContact OE1-NH2 3.82Å; E105-R109 PolarHBondContact OE1-NH2 3.41Å; G106-R109 PolarHBondContact O-N 3.34Å; H107-R109 VanDerWaalsContact C-N 3.33Å; H107-R109 PolarHBondContact O-N 3.2Å; R109-I112 PolarHBondContact O-N 3.44Å; R109-A113 PolarHBondContact O-N 3.24Å; R109-A113 VanDerWaalsContact O-N 3.12Å
110A93.8Very high93.1Very high47 Ų4738.2 Ų38.239%0.38820%0.204SC..Hα-helixtrans-61.9-43.9177.900000112G106 H107 Q108 A113 H114G106-A110 PolarHBondContact O-N 3.49Å; H107-A110 PolarHBondContact O-N 2.72Å; Q108-A110 PolarHBondContact O-N 3.22Å; A110-A113 PolarHBondContact O-N 3.24Å; A110-H114 PolarHBondContact O-CD2 3.05Å
111I94.8Very high92.9Very high23 Ų2344 Ų4412%0.11823%0.227CC..Hα-helixtrans-66.8-39.8177.6-61.8-58.3000111.5H107 Q108 A113 H114 L115 F127 Q130 V131 V134H107-I111 WeakPolarHBondContact O-CG1 3.42Å; H107-I111 PolarHBondContact O-N 3.22Å; Q108-I111 PolarHBondContact O-N 3.37Å; I111-A113 VanDerWaalsContact C-N 3.28Å; I111-A113 PolarHBondContact O-N 3.34Å; I111-H114 PolarHBondContact O-N 3.14Å; I111-L115 HydrophobicContact CG2-CD1 3.7Å; I111-L115 HydrophobicContact CG2-CG 4.42Å; I111-L115 PolarHBondContact O-N 3.33Å; I111-F127 HydrophobicContact CB-CE2 4.28Å; I111-F127 HydrophobicContact CG2-CD2 3.81Å; I111-F127 HydrophobicContact CG2-CE2 3.7Å; I111-Q130 HydrophobicContact CD1-CB 4.46Å; I111-Q130 HydrophobicContact CG2-CB 4.21Å; I111-V131 HydrophobicContact CB-CG2 4Å; I111-V131 HydrophobicContact CG1-CG2 4.02Å; I111-V131 HydrophobicContact CG2-CG2 4.06Å; I111-V134 HydrophobicContact CD1-CG2 4.16Å
112I94.4Very high92.5Very high0 Ų049.2 Ų49.20%025%0.248CC..Hα-helixtrans-58.9-40.3176.3-69163.9000111.2V55 T57 I63 V65 Q108 R109 H114 L115 I120 F127V55-I112 HydrophobicContact CB-CD1 4.46Å; V55-I112 HydrophobicContact CB-CG2 3.99Å; V55-I112 HydrophobicContact CG1-CB 3.88Å; V55-I112 HydrophobicContact CG1-CD1 4.49Å; V55-I112 HydrophobicContact CG1-CG2 3.51Å; T57-I112 HydrophobicContact CG2-CG2 3.99Å; I63-I112 HydrophobicContact CD1-CG2 3.84Å; I63-I112 HydrophobicContact CG1-CG2 3.96Å; V65-I112 HydrophobicContact CB-CD1 3.83Å; V65-I112 HydrophobicContact CG1-CD1 4.4Å; V65-I112 HydrophobicContact CG2-CD1 3.7Å; V65-I112 HydrophobicContact CG2-CG1 4.37Å; Q108-I112 HydrophobicContact CG-CD1 3.87Å; Q108-I112 WeakPolarHBondContact O-CD1 3.22Å; Q108-I112 WeakPolarHBondContact O-CG1 3.34Å; Q108-I112 PolarHBondContact O-N 3.36Å; R109-I112 PolarHBondContact O-N 3.44Å; I112-H114 PolarHBondContact O-N 3.26Å; I112-L115 PolarHBondContact O-N 3.5Å; I112-I120 HydrophobicContact CG1-CD1 4.43Å; I112-I120 HydrophobicContact CG2-CD1 4.31Å; I112-F127 HydrophobicContact CD1-CZ 4.41Å; I112-F127 HydrophobicContact CG1-CE2 3.81Å; I112-F127 HydrophobicContact CG1-CZ 3.88Å
113A92.8Very high92.4Very high45 Ų4548.5 Ų48.537%0.37225%0.247SC..Hα-helixtrans-64.3-26.3-179.700000113.7R58 R109 A110 I111R58-A113 WeakPolarHBondContact CA-O 3.43Å; R58-A113 PolarHBondContact N-O 3.41Å; R109-A113 PolarHBondContact O-N 3.24Å; R109-A113 VanDerWaalsContact O-N 3.12Å; A110-A113 PolarHBondContact O-N 3.24Å; I111-A113 VanDerWaalsContact C-N 3.28Å; I111-A113 PolarHBondContact O-N 3.34Å
114H92.4Very high92.4Very high142 Ų14251.4 Ų51.466%0.65726%0.255SS*.Hα-helixtrans-89.4-21.5-179.5-75.2-65000114.3A110 I111 I112A110-H114 PolarHBondContact O-CD2 3.05Å; I111-H114 PolarHBondContact O-N 3.14Å; I112-H114 PolarHBondContact O-N 3.26Å
115L92.5Very high92.3Very high16 Ų1660 Ų608%0.08429%0.292CS..SBendtrans-99.9162.2-176.5-63.9172.2000112T57 R58 I111 I112 E119 I120 F127T57-L115 WeakPolarHBondContact CB-O 3.2Å; R58-L115 WeakPolarHBondContact CB-O 3.26Å; R58-L115 PolarHBondContact N-O 2.96Å; I111-L115 HydrophobicContact CG2-CD1 3.7Å; I111-L115 HydrophobicContact CG2-CG 4.42Å; I111-L115 PolarHBondContact O-N 3.33Å; I112-L115 PolarHBondContact O-N 3.5Å; L115-E119 VanDerWaalsContact CD2-OE2 3.29Å; L115-E119 WeakPolarHBondContact CD2-OE2 3.33Å; L115-I120 HydrophobicContact CB-CD1 4.16Å; L115-I120 HydrophobicContact CB-CG1 3.96Å; L115-I120 HydrophobicContact CD1-CG1 4.13Å; L115-F127 HydrophobicContact CD1-CD2 3.62Å; L115-F127 HydrophobicContact CD1-CE2 4.35Å
116T93.3Very high92.2Very high14 Ų1462.3 Ų62.39%0.08630%0.302CS..  trans-90.9159.5170.486.90000111.2H59 E118 E119 I120H59-T116 VanDerWaalsContact CD2-CG2 3.45Å; H59-T116 WeakPolarHBondContact CD2-CG2 3.48Å; H59-T116 WeakPolarHBondContact NE2-CG2 3.38Å; T116-E118 WeakPolarHBondContact CB-OE2 3.39Å; T116-E118 PolarHBondContact O-N 3.02Å; T116-E118 PolarHBondContact OG1-N 3.26Å; T116-E118 PolarHBondContact OG1-OE2 3.32Å; T116-E119 PolarHBondContact N-OE2 3.2Å; T116-E119 PolarHBondContact O-N 3.48Å; T116-E119 PolarHBondContact OG1-N 3.17Å; T116-I120 WeakPolarHBondContact O-CG1 3.4Å; T116-I120 PolarHBondContact O-N 3.45Å; T116-I120 VanDerWaalsContact O-N 3.14Å
117V90.8Very high92.2Very high2 Ų260.8 Ų60.81%0.01229%0.286CS..Hα-helixtrans-59-39177.8-178.80000110.9T57 V61 I63 I120 Y121 Y160 L161T57-V117 HydrophobicContact CG2-CG2 3.69Å; V61-V117 HydrophobicContact CB-CG2 3.71Å; V61-V117 HydrophobicContact CG1-CG2 3.86Å; V61-V117 HydrophobicContact CG2-CG2 4.29Å; I63-V117 HydrophobicContact CG2-CG1 4.35Å; I63-V117 HydrophobicContact CG2-CG2 3.86Å; V117-I120 PolarHBondContact O-N 2.79Å; V117-Y121 VanDerWaalsContact O-CB 3.31Å; V117-Y121 WeakPolarHBondContact O-CB 3.34Å; V117-Y121 PolarHBondContact O-N 3.22Å; V117-Y160 HydrophobicContact CB-CE1 4.26Å; V117-Y160 HydrophobicContact CG1-CD1 4.22Å; V117-Y160 HydrophobicContact CG1-CE1 4.35Å; V117-L161 HydrophobicContact CG1-CD2 3.72Å; V117-L161 HydrophobicContact CG1-CG 4.19Å
118E89Confident92.2Very high39 Ų3960 Ų6018%0.18228%0.283CS..Hα-helixtrans-66.1-38.8-179.8-56.776.8-170.100111.8T116 Y121 K122 Y160 L164T116-E118 WeakPolarHBondContact CB-OE2 3.39Å; T116-E118 PolarHBondContact O-N 3.02Å; T116-E118 PolarHBondContact OG1-N 3.26Å; T116-E118 PolarHBondContact OG1-OE2 3.32Å; E118-Y121 PolarHBondContact O-N 3.46Å; E118-K122 WeakPolarHBondContact O-CB 3.37Å; E118-K122 VanDerWaalsContact O-CG 3.22Å; E118-K122 WeakPolarHBondContact O-CG 3.46Å; E118-K122 PolarHBondContact O-N 2.96Å; E118-Y160 WeakPolarHBondContact OE1-CE1 3.28Å; E118-Y160 PolarHBondContact OE1-OH 3.21Å; E118-L164 HydrophobicContact CG-CD2 4.14Å
119E91.3Very high92.2Very high74 Ų7466.4 Ų66.435%0.34631%0.314SS..Hα-helixtrans-66.6-44.2176.8-70.2-178.7149.600111.2L115 T116 Y121 D123L115-E119 VanDerWaalsContact CD2-OE2 3.29Å; L115-E119 WeakPolarHBondContact CD2-OE2 3.33Å; T116-E119 PolarHBondContact N-OE2 3.2Å; T116-E119 PolarHBondContact O-N 3.48Å; T116-E119 PolarHBondContact OG1-N 3.17Å; E119-Y121 VanDerWaalsContact C-N 3.3Å; E119-Y121 PolarHBondContact O-N 3.47Å; E119-D123 PolarHBondContact O-N 3.44Å
120I92Very high92.1Very high0 Ų064.9 Ų64.90%031%0.311CS..Hα-helixtrans-62.8-40.3176.8-63168.9000110.3T57 I63 I112 L115 T116 V117 R124 F127 L151 V154T57-I120 HydrophobicContact CG2-CD1 4.27Å; I63-I120 HydrophobicContact CD1-CD1 3.67Å; I112-I120 HydrophobicContact CG1-CD1 4.43Å; I112-I120 HydrophobicContact CG2-CD1 4.31Å; L115-I120 HydrophobicContact CB-CD1 4.16Å; L115-I120 HydrophobicContact CB-CG1 3.96Å; L115-I120 HydrophobicContact CD1-CG1 4.13Å; T116-I120 WeakPolarHBondContact O-CG1 3.4Å; T116-I120 PolarHBondContact O-N 3.45Å; T116-I120 VanDerWaalsContact O-N 3.14Å; V117-I120 PolarHBondContact O-N 2.79Å; I120-R124 WeakPolarHBondContact O-CG 3.35Å; I120-F127 HydrophobicContact CG1-CD2 4.15Å; I120-L151 HydrophobicContact CG2-CD2 4.25Å; I120-V154 HydrophobicContact CG2-CG2 4.01Å
121Y87.8Confident92.2Very high120 Ų12062.7 Ų62.747%0.47129%0.292SS..Hα-helixtrans-76.1-42.8-177.5-169.4-96000113.3V117 E118 E119 L161V117-Y121 VanDerWaalsContact O-CB 3.31Å; V117-Y121 WeakPolarHBondContact O-CB 3.34Å; V117-Y121 PolarHBondContact O-N 3.22Å; E118-Y121 PolarHBondContact O-N 3.46Å; E119-Y121 VanDerWaalsContact C-N 3.3Å; E119-Y121 PolarHBondContact O-N 3.47Å; Y121-L161 HydrophobicContact CD2-CD2 3.75Å; Y121-L161 HydrophobicContact CE2-CD2 4.27Å; Y121-L161 HydrophobicContact CG-CD2 4.08Å
122K87.8Confident92.1Very high158 Ų15865.2 Ų65.269%0.68730%0.302SS*.Hα-helixtrans-74.2-47.2-179.2-70.9174.2-178.7174.90111.9E118E118-K122 WeakPolarHBondContact O-CB 3.37Å; E118-K122 VanDerWaalsContact O-CG 3.22Å; E118-K122 WeakPolarHBondContact O-CG 3.46Å; E118-K122 PolarHBondContact O-N 2.96Å
123D90.3Very high92.1Very high94 Ų9472.8 Ų72.850%0.50334%0.336SS..  trans-116.662.4-170.9-68.9-38.1000112.1E119 K125 K126 F127E119-D123 PolarHBondContact O-N 3.44Å; D123-K125 PolarHBondContact O-N 2.85Å; D123-K125 VanDerWaalsContact O-N 3.07Å; D123-K126 HydrophobicContact CB-CB 4.01Å; D123-K126 WeakPolarHBondContact O-CB 3.41Å; D123-K126 PolarHBondContact O-N 2.8Å; D123-F127 PolarHBondContact O-N 3.05Å
124R91.8Very high92.2Very high90 Ų9073.3 Ų73.334%0.3433%0.334SS..Hα-helixtrans-54.4-31.2179.8-61.4-170.4176.1-141-1.1113.9I120 S128 L151I120-R124 WeakPolarHBondContact O-CG 3.35Å; R124-S128 WeakPolarHBondContact O-CB 3.49Å; R124-S128 PolarHBondContact O-N 3.16Å; R124-S128 PolarHBondContact O-OG 3.33Å; R124-L151 HydrophobicContact CB-CD2 4.05Å; R124-L151 HydrophobicContact CG-CD2 3.87Å
125K91.9Very high92.2Very high182 Ų18266.5 Ų66.579%0.79130%0.302SS*.Hα-helixtrans-68-45177.6-69.8-175.4179.3-179.50111.9D123 F127 S128 E129D123-K125 PolarHBondContact O-N 2.85Å; D123-K125 VanDerWaalsContact O-N 3.07Å; K125-F127 VanDerWaalsContact C-N 3.33Å; K125-F127 PolarHBondContact O-N 3.27Å; K125-S128 PolarHBondContact O-N 3.43Å; K125-E129 WeakPolarHBondContact O-CB 3.31Å; K125-E129 PolarHBondContact O-N 2.91Å
126K93.1Very high92.2Very high98 Ų9866.9 Ų66.943%0.42631%0.306SS..Hα-helixtrans-62-43.4179.1-175.8-176176.8-170.50110.8D123 E129 Q130D123-K126 HydrophobicContact CB-CB 4.01Å; D123-K126 WeakPolarHBondContact O-CB 3.41Å; D123-K126 PolarHBondContact O-N 2.8Å; K126-E129 PolarHBondContact O-N 3.22Å; K126-Q130 WeakPolarHBondContact O-CG 3.47Å; K126-Q130 PolarHBondContact O-N 2.99Å; K126-Q130 VanDerWaalsContact O-N 3.07Å
127F93.7Very high92.1Very high2 Ų269.8 Ų69.81%0.00933%0.327CS..Hα-helixtrans-58.5-50.9172.5175.4-102.6000111.7V65 Q108 I111 I112 L115 I120 D123 K125 E129 Q130 V131 Y149 L151V65-F127 HydrophobicContact CG1-CE1 4.41Å; Q108-F127 HydrophobicContact CG-CZ 4.21Å; I111-F127 HydrophobicContact CB-CE2 4.28Å; I111-F127 HydrophobicContact CG2-CD2 3.81Å; I111-F127 HydrophobicContact CG2-CE2 3.7Å; I112-F127 HydrophobicContact CD1-CZ 4.41Å; I112-F127 HydrophobicContact CG1-CE2 3.81Å; I112-F127 HydrophobicContact CG1-CZ 3.88Å; L115-F127 HydrophobicContact CD1-CD2 3.62Å; L115-F127 HydrophobicContact CD1-CE2 4.35Å; I120-F127 HydrophobicContact CG1-CD2 4.15Å; D123-F127 PolarHBondContact O-N 3.05Å; K125-F127 VanDerWaalsContact C-N 3.33Å; K125-F127 PolarHBondContact O-N 3.27Å; F127-E129 VanDerWaalsContact C-N 3.3Å; F127-E129 PolarHBondContact O-N 3.08Å; F127-Q130 PolarHBondContact O-N 3.09Å; F127-V131 HydrophobicContact CD1-CG2 4.48Å; F127-V131 HydrophobicContact CD2-CG2 4.39Å; F127-V131 HydrophobicContact CE1-CG2 4.02Å; F127-V131 HydrophobicContact CE2-CG2 3.94Å; F127-V131 HydrophobicContact CZ-CG2 3.75Å; F127-V131 WeakPolarHBondContact O-CG2 3.39Å; F127-V131 PolarHBondContact O-N 3.44Å; F127-Y149 HydrophobicContact CE1-CE1 4.17Å; F127-L151 HydrophobicContact CD1-CB 4.42Å; F127-L151 HydrophobicContact CD1-CD1 4.03Å; F127-L151 HydrophobicContact CD1-CD2 4.01Å; F127-L151 HydrophobicContact CD1-CG 4.4Å; F127-L151 HydrophobicContact CE1-CD1 3.7Å; F127-L151 HydrophobicContact CE1-CD2 4.49Å
128S94.4Very high92.1Very high17 Ų1772.6 Ų72.612%0.11934%0.342CS..Hα-helixtrans-61.7-38.4-178.1-57.60000112.4R124 K125 F132 L151R124-S128 WeakPolarHBondContact O-CB 3.49Å; R124-S128 PolarHBondContact O-N 3.16Å; R124-S128 PolarHBondContact O-OG 3.33Å; K125-S128 PolarHBondContact O-N 3.43Å; S128-F132 WeakPolarHBondContact O-CB 3.47Å; S128-F132 PolarHBondContact O-N 3.37Å; S128-L151 PolarHBondContact OG-N 3.32Å
129E94.3Very high92.2Very high136 Ų13670.8 Ų70.864%0.63633%0.334SS*.Hα-helixtrans-66.9-40.4176.7-173.4178.4-176.900112.4K125 K126 F127 F132 K133K125-E129 WeakPolarHBondContact O-CB 3.31Å; K125-E129 PolarHBondContact O-N 2.91Å; K126-E129 PolarHBondContact O-N 3.22Å; F127-E129 VanDerWaalsContact C-N 3.3Å; F127-E129 PolarHBondContact O-N 3.08Å; E129-F132 PolarHBondContact O-N 3.39Å; E129-K133 WeakPolarHBondContact O-CB 3.32Å; E129-K133 PolarHBondContact O-N 3.4Å
130Q93.3Very high92.2Very high64 Ų6469.6 Ų69.630%0.29933%0.332SS..Hα-helixtrans-65.3-46.9176.9-74.7179.5-12.400111.9I111 K126 F127 F132 K133 V134I111-Q130 HydrophobicContact CD1-CB 4.46Å; I111-Q130 HydrophobicContact CG2-CB 4.21Å; K126-Q130 WeakPolarHBondContact O-CG 3.47Å; K126-Q130 PolarHBondContact O-N 2.99Å; K126-Q130 VanDerWaalsContact O-N 3.07Å; F127-Q130 PolarHBondContact O-N 3.09Å; Q130-F132 VanDerWaalsContact C-N 3.33Å; Q130-F132 PolarHBondContact O-N 2.64Å; Q130-K133 PolarHBondContact O-N 3.1Å; Q130-V134 WeakPolarHBondContact O-CG2 3.4Å; Q130-V134 PolarHBondContact O-N 3.46Å; Q130-V134 VanDerWaalsContact O-N 3.12Å
131V94.3Very high92.1Very high0 Ų075.1 Ų75.10%036%0.361CS..Hα-helixtrans-61.5-44.9175.9177.80000110.2Q108 I111 F127 K133 A135 Y149Q108-V131 HydrophobicContact CB-CG1 4.47Å; I111-V131 HydrophobicContact CB-CG2 4Å; I111-V131 HydrophobicContact CG1-CG2 4.02Å; I111-V131 HydrophobicContact CG2-CG2 4.06Å; F127-V131 HydrophobicContact CD1-CG2 4.48Å; F127-V131 HydrophobicContact CD2-CG2 4.39Å; F127-V131 HydrophobicContact CE1-CG2 4.02Å; F127-V131 HydrophobicContact CE2-CG2 3.94Å; F127-V131 HydrophobicContact CZ-CG2 3.75Å; F127-V131 WeakPolarHBondContact O-CG2 3.39Å; F127-V131 PolarHBondContact O-N 3.44Å; V131-K133 PolarHBondContact O-N 3.32Å; V131-A135 WeakPolarHBondContact O-CB 3.41Å; V131-A135 PolarHBondContact O-N 3.08Å; V131-Y149 HydrophobicContact CB-CD1 3.97Å; V131-Y149 HydrophobicContact CB-CE1 3.77Å; V131-Y149 HydrophobicContact CG1-CD1 4.03Å; V131-Y149 HydrophobicContact CG1-CD2 4.08Å; V131-Y149 HydrophobicContact CG1-CE1 3.79Å; V131-Y149 HydrophobicContact CG1-CE2 3.84Å; V131-Y149 HydrophobicContact CG1-CG 4.18Å; V131-Y149 HydrophobicContact CG2-CE1 4.15Å
132F94.3Very high92.2Very high76 Ų7670.4 Ų70.433%0.33334%0.343SS..Hα-helixtrans-57.4-46.7176.1175.9-97.5000112.3S128 E129 Q130 S136 V146S128-F132 WeakPolarHBondContact O-CB 3.47Å; S128-F132 PolarHBondContact O-N 3.37Å; E129-F132 PolarHBondContact O-N 3.39Å; Q130-F132 VanDerWaalsContact C-N 3.33Å; Q130-F132 PolarHBondContact O-N 2.64Å; F132-S136 WeakPolarHBondContact O-CB 3.35Å; F132-S136 PolarHBondContact O-N 3.34Å; F132-S136 PolarHBondContact O-OG 3.48Å; F132-V146 HydrophobicContact CD2-CB 4.2Å; F132-V146 HydrophobicContact CD2-CG1 3.7Å; F132-V146 HydrophobicContact CE2-CB 3.94Å; F132-V146 HydrophobicContact CE2-CG1 3.8Å; F132-V146 WeakPolarHBondContact CE2-O 3.5Å
133K94.3Very high92.3Very high160 Ų16062.9 Ų62.970%0.69631%0.311SS*.Hα-helixtrans-64-47.9-176.7-176.6178179.9179.10112.2E129 Q130 V131 S137E129-K133 WeakPolarHBondContact O-CB 3.32Å; E129-K133 PolarHBondContact O-N 3.4Å; Q130-K133 PolarHBondContact O-N 3.1Å; V131-K133 PolarHBondContact O-N 3.32Å; K133-S137 PolarHBondContact O-N 3.35Å
134V93.3Very high92.4Very high55 Ų5558.5 Ų58.533%0.33329%0.287SS..Hα-helixtrans-69.9-46.8-178.2-178.80000110.5H107 I111 Q130 S136 S137 D138H107-V134 WeakPolarHBondContact ND1-CG1 3.29Å; I111-V134 HydrophobicContact CD1-CG2 4.16Å; Q130-V134 WeakPolarHBondContact O-CG2 3.4Å; Q130-V134 PolarHBondContact O-N 3.46Å; Q130-V134 VanDerWaalsContact O-N 3.12Å; V134-S136 VanDerWaalsContact C-N 3.3Å; V134-S136 PolarHBondContact O-N 3.47Å; V134-S137 PolarHBondContact O-N 3.28Å; V134-S137 PolarHBondContact O-OG 3.07Å; V134-D138 PolarHBondContact O-N 3.27Å
135A92.8Very high92.5Very high0 Ų055.6 Ų55.60%028%0.281CS..Hα-helixtrans-62.8-37.2177.800000112.5L104 H107 V131 S137 D138 L139L104-A135 HydrophobicContact CD2-CB 3.46Å; L104-A135 VanDerWaalsContact CD2-CB 3.46Å; H107-A135 HydrophobicContact CB-CB 4.48Å; V131-A135 WeakPolarHBondContact O-CB 3.41Å; V131-A135 PolarHBondContact O-N 3.08Å; A135-S137 VanDerWaalsContact C-N 3.35Å; A135-S137 PolarHBondContact O-N 2.69Å; A135-D138 PolarHBondContact O-N 3.03Å; A135-L139 HydrophobicContact CB-CD1 4.2Å; A135-L139 VanDerWaalsContact O-CB 3.32Å; A135-L139 WeakPolarHBondContact O-CB 3.43Å; A135-L139 PolarHBondContact O-N 3.42Å
136S93Very high92.6Very high23 Ų2347.3 Ų47.316%0.16125%0.246CC..Hα-helixtrans-62.6-40178.2-66.60000112.1F132 V134 D138 V140F132-S136 WeakPolarHBondContact O-CB 3.35Å; F132-S136 PolarHBondContact O-N 3.34Å; F132-S136 PolarHBondContact O-OG 3.48Å; V134-S136 VanDerWaalsContact C-N 3.3Å; V134-S136 PolarHBondContact O-N 3.47Å; S136-D138 VanDerWaalsContact C-N 3.27Å; S136-D138 PolarHBondContact O-N 3.12Å; S136-V140 VanDerWaalsContact O-CB 3.23Å; S136-V140 WeakPolarHBondContact O-CB 3.45Å; S136-V140 WeakPolarHBondContact O-CG2 3.33Å; S136-V140 PolarHBondContact O-N 3.03Å
137S91.3Very high92.6Very high76 Ų7646.1 Ų46.153%0.53125%0.246SC..Hα-helixtrans-65-3217957.10000113.6K133 V134 A135 N141K133-S137 PolarHBondContact O-N 3.35Å; V134-S137 PolarHBondContact O-N 3.28Å; V134-S137 PolarHBondContact O-OG 3.07Å; A135-S137 VanDerWaalsContact C-N 3.35Å; A135-S137 PolarHBondContact O-N 2.69Å; S137-N141 PolarHBondContact O-ND2 3.38Å
138D90.9Very high92.6Very high61 Ų6147.7 Ų47.733%0.32626%0.258SS..Hα-helixtrans-87-46.7-176.1-165.131.5000111.8T103 H107 V134 A135 S136 V140 N141T103-D138 VanDerWaalsContact CG2-OD2 3.28Å; T103-D138 WeakPolarHBondContact CG2-OD2 3.48Å; H107-D138 IonicContact CE1-OD2 2.81Å; H107-D138 IonicContact NE2-OD2 3.82Å; H107-D138 PolarHBondContact NE2-OD2 2.96Å; V134-D138 PolarHBondContact O-N 3.27Å; A135-D138 PolarHBondContact O-N 3.03Å; S136-D138 VanDerWaalsContact C-N 3.27Å; S136-D138 PolarHBondContact O-N 3.12Å; D138-V140 PolarHBondContact O-N 3.14Å; D138-N141 WeakPolarHBondContact O-CB 3.13Å; D138-N141 PolarHBondContact O-N 3.46Å
139L91Very high92.6Very high0 Ų047.5 Ų47.50%026%0.255CS..Hα-helixtrans-63.7-28.5177.7-76.3160.3000113A100 L104 A135 N141 M142 G143 I144 V146A100-L139 HydrophobicContact CB-CD2 4.14Å; L104-L139 HydrophobicContact CD2-CD1 4.03Å; L104-L139 HydrophobicContact CG-CD1 4.03Å; A135-L139 HydrophobicContact CB-CD1 4.2Å; A135-L139 VanDerWaalsContact O-CB 3.32Å; A135-L139 WeakPolarHBondContact O-CB 3.43Å; A135-L139 PolarHBondContact O-N 3.42Å; L139-N141 VanDerWaalsContact C-N 3.27Å; L139-N141 PolarHBondContact O-N 3.33Å; L139-M142 HydrophobicContact CD2-CE 3.57Å; L139-M142 HydrophobicContact CG-CE 4.2Å; L139-M142 CarbonylContact O-C 3.5Å; L139-M142 WeakPolarHBondContact O-CA 3.46Å; L139-M142 WeakPolarHBondContact O-CB 3.22Å; L139-M142 PolarHBondContact O-N 2.98Å; L139-G143 PolarHBondContact O-N 2.91Å; L139-I144 CarbonylContact C-O 3.58Å; L139-I144 HydrophobicContact CB-CB 4.14Å; L139-I144 HydrophobicContact CB-CG2 4.37Å; L139-I144 HydrophobicContact CD2-CB 4.06Å; L139-I144 HydrophobicContact CD2-CD1 3.97Å; L139-I144 HydrophobicContact CD2-CG2 4.12Å; L139-I144 PolarHBondContact O-N 3.39Å; L139-V146 HydrophobicContact CB-CG2 4.38Å; L139-V146 HydrophobicContact CD1-CG2 3.38Å
140V91.7Very high92.6Very high50 Ų5044.4 Ų44.430%0.30325%0.245SC..Hα-helixtrans-60.8-36.8173.9158.40000112M80 S136 D138 M142 G143 I144M80-V140 HydrophobicContact CE-CB 4.21Å; M80-V140 HydrophobicContact CE-CG1 3.38Å; M80-V140 HydrophobicContact CE-CG2 3.88Å; M80-V140 HydrophobicContact SD-CG1 4.47Å; S136-V140 VanDerWaalsContact O-CB 3.23Å; S136-V140 WeakPolarHBondContact O-CB 3.45Å; S136-V140 WeakPolarHBondContact O-CG2 3.33Å; S136-V140 PolarHBondContact O-N 3.03Å; D138-V140 PolarHBondContact O-N 3.14Å; V140-M142 PolarHBondContact O-N 3.1Å; V140-G143 PolarHBondContact O-N 3.35Å; V140-I144 PolarHBondContact N-O 2.66Å
141N88.6Confident92.7Very high116 Ų11642.2 Ų42.262%0.6224%0.235SC*.Hα-helixtrans-66.9-25.8176.5-62.6-37.5000111.9S137 D138 L139 G143S137-N141 PolarHBondContact O-ND2 3.38Å; D138-N141 WeakPolarHBondContact O-CB 3.13Å; D138-N141 PolarHBondContact O-N 3.46Å; L139-N141 VanDerWaalsContact C-N 3.27Å; L139-N141 PolarHBondContact O-N 3.33Å; N141-G143 VanDerWaalsContact C-N 3.33Å
142M89.7Confident92.7Very high20 Ų2048.1 Ų48.110%0.09926%0.261CS..THydrogen-bonded Turntrans-85.6-3.3173-58.2-167-101.100113.6A84 M87 F88 I99 T103 L139 V140 I144A84-M142 WeakPolarHBondContact CA-O 3.5Å; A84-M142 PolarHBondContact N-O 3.04Å; M87-M142 HydrophobicContact CE-CB 4.14Å; M87-M142 HydrophobicContact CE-CG 3.61Å; M87-M142 HydrophobicContact CE-SD 3.66Å; M87-M142 VanDerWaalsContact SD-CA 3.58Å; M87-M142 HydrophobicContact SD-CB 3.69Å; M87-M142 HydrophobicContact SD-CG 3.63Å; M87-M142 HydrophobicContact SD-SD 4.45Å; F88-M142 HydrophobicContact CE2-CB 4.36Å; F88-M142 WeakPolarHBondContact CE2-O 3.47Å; F88-M142 HydrophobicContact CZ-CB 4.2Å; I99-M142 HydrophobicContact CG2-SD 4.33Å; T103-M142 HydrophobicContact CG2-CE 3.71Å; T103-M142 WeakPolarHBondContact OG1-CE 3.34Å; L139-M142 HydrophobicContact CD2-CE 3.57Å; L139-M142 HydrophobicContact CG-CE 4.2Å; L139-M142 CarbonylContact O-C 3.5Å; L139-M142 WeakPolarHBondContact O-CA 3.46Å; L139-M142 WeakPolarHBondContact O-CB 3.22Å; L139-M142 PolarHBondContact O-N 2.98Å; V140-M142 PolarHBondContact O-N 3.1Å; M142-I144 VanDerWaalsContact C-N 3.33Å
143G90.6Very high92.6Very high0 Ų048.4 Ų48.40%027%0.266CS..THydrogen-bonded Turntrans78.713.8-175.700000114.9Q74 M80 L139 V140 N141Q74-G143 PolarHBondContact N-O 3.31Å; M80-G143 WeakPolarHBondContact O-CA 3.34Å; L139-G143 PolarHBondContact O-N 2.91Å; V140-G143 PolarHBondContact O-N 3.35Å; N141-G143 VanDerWaalsContact C-N 3.33Å
144I92.9Very high92.5Very high2 Ų241.3 Ų41.31%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-98.1131.9174.5-61.7173.2000109.1M71 F88 I96 A100 L139 V140 M142M71-I144 HydrophobicContact CB-CG2 3.86Å; M71-I144 HydrophobicContact CG-CG2 4.22Å; M71-I144 HydrophobicContact SD-CG2 3.8Å; F88-I144 HydrophobicContact CE2-CD1 3.64Å; F88-I144 HydrophobicContact CE2-CG1 3.73Å; F88-I144 HydrophobicContact CZ-CD1 3.5Å; F88-I144 HydrophobicContact CZ-CG1 4.12Å; I96-I144 HydrophobicContact CG2-CD1 4.47Å; A100-I144 HydrophobicContact CB-CD1 3.89Å; L139-I144 CarbonylContact C-O 3.58Å; L139-I144 HydrophobicContact CB-CB 4.14Å; L139-I144 HydrophobicContact CB-CG2 4.37Å; L139-I144 HydrophobicContact CD2-CB 4.06Å; L139-I144 HydrophobicContact CD2-CD1 3.97Å; L139-I144 HydrophobicContact CD2-CG2 4.12Å; L139-I144 PolarHBondContact O-N 3.39Å; V140-I144 PolarHBondContact N-O 2.66Å; M142-I144 VanDerWaalsContact C-N 3.33Å
145S92.8Very high92.3Very high30 Ų3043.9 Ų43.921%0.2124%0.244CC..EExtended strand (participates in β ladder)trans-105.3123.2172.2179.70000109.8M71 K72M71-S145 CarbonylContact C-O 3.59Å; M71-S145 VanDerWaalsContact CA-O 3.26Å; M71-S145 WeakPolarHBondContact CA-O 3.5Å; K72-S145 PolarHBondContact N-O 3.33Å; K72-S145 PolarHBondContact O-N 3.48Å
146V93.9Very high92.2Very high8 Ų844.3 Ų44.35%0.04825%0.246CC..EExtended strand (participates in β ladder)trans-76.3123169.3-171.50000107.9F132 L139F132-V146 HydrophobicContact CD2-CB 4.2Å; F132-V146 HydrophobicContact CD2-CG1 3.7Å; F132-V146 HydrophobicContact CE2-CB 3.94Å; F132-V146 HydrophobicContact CE2-CG1 3.8Å; F132-V146 WeakPolarHBondContact CE2-O 3.5Å; L139-V146 HydrophobicContact CB-CG2 4.38Å; L139-V146 HydrophobicContact CD1-CG2 3.38Å
147V92.8Very high91.8Very high72 Ų7247.3 Ų47.344%0.43626%0.26SS..EExtended strand (participates in β ladder)trans-85.4-45.9177.3179.50000110Q70 K72Q70-V147 HydrophobicContact CB-CB 4.29Å; Q70-V147 WeakPolarHBondContact O-CB 3.46Å; Q70-V147 PolarHBondContact O-N 3.39Å; K72-V147 HydrophobicContact CD-CG2 4.06Å; K72-V147 HydrophobicContact CG-CG2 3.92Å
148S93.9Very high91.3Very high36 Ų3650.5 Ų50.525%0.25227%0.267SS..EExtended strand (participates in β ladder)trans-155.3151.6178.869.20000110.7A69 Q70A69-S148 WeakPolarHBondContact CA-O 3.41Å; Q70-S148 PolarHBondContact N-O 3.21Å; Q70-S148 PolarHBondContact O-N 3.35Å; Q70-S148 PolarHBondContact OE1-OG 3.04Å
149Y95.6Very high91Very high13 Ų1352.6 Ų52.65%0.05128%0.278CS..EExtended strand (participates in β ladder)trans-131.6129168.6178-91.1000108.1A69 Q108 F127 V131A69-Y149 HydrophobicContact CB-CD2 4.01Å; Q108-Y149 VanDerWaalsContact CD-OH 3.31Å; Q108-Y149 PolarHBondContact OE1-OH 3.41Å; F127-Y149 HydrophobicContact CE1-CE1 4.17Å; V131-Y149 HydrophobicContact CB-CD1 3.97Å; V131-Y149 HydrophobicContact CB-CE1 3.77Å; V131-Y149 HydrophobicContact CG1-CD1 4.03Å; V131-Y149 HydrophobicContact CG1-CD2 4.08Å; V131-Y149 HydrophobicContact CG1-CE1 3.79Å; V131-Y149 HydrophobicContact CG1-CE2 3.84Å; V131-Y149 HydrophobicContact CG1-CG 4.18Å; V131-Y149 HydrophobicContact CG2-CE1 4.15Å
150T94.6Very high90.8Very high70 Ų7056.7 Ų56.743%0.42929%0.294SS..EExtended strand (participates in β ladder)trans-132.2134.4179.455.70000110.4G67 I68 K152G67-T150 CarbonylContact C-O 3.13Å; G67-T150 WeakPolarHBondContact CA-O 3.33Å; I68-T150 PolarHBondContact N-O 3.17Å; I68-T150 PolarHBondContact O-N 3.21Å; I68-T150 PolarHBondContact O-OG1 3.34Å; T150-K152 PolarHBondContact O-N 2.94Å
151L94.4Very high90.5Very high19 Ų1956 Ų5610%0.09929%0.289CS..EExtended strand (participates in β ladder)trans-72.1116171.7-172.562.1000109.8V65 I120 R124 F127 S128 V154V65-L151 HydrophobicContact CG1-CD1 3.23Å; I120-L151 HydrophobicContact CG2-CD2 4.25Å; R124-L151 HydrophobicContact CB-CD2 4.05Å; R124-L151 HydrophobicContact CG-CD2 3.87Å; F127-L151 HydrophobicContact CD1-CB 4.42Å; F127-L151 HydrophobicContact CD1-CD1 4.03Å; F127-L151 HydrophobicContact CD1-CD2 4.01Å; F127-L151 HydrophobicContact CD1-CG 4.4Å; F127-L151 HydrophobicContact CE1-CD1 3.7Å; F127-L151 HydrophobicContact CE1-CD2 4.49Å; S128-L151 PolarHBondContact OG-N 3.32Å; L151-V154 HydrophobicContact CD1-CG2 4.02Å; L151-V154 HydrophobicContact CD2-CG2 3.71Å; L151-V154 HydrophobicContact CG-CG2 4.07Å
152K93.6Very high90.5Very high123 Ų12355.3 Ų55.354%0.53528%0.281SS..EExtended strand (participates in β ladder)trans-82.1-57.2178.4-174-172.9-174.4174.60110.7T66 I68 T150T66-K152 HydrophobicContact CG2-CB 4.19Å; T66-K152 HydrophobicContact CG2-CD 3.89Å; T66-K152 WeakPolarHBondContact O-CA 3.5Å; T66-K152 VanDerWaalsContact O-CB 3.27Å; T66-K152 WeakPolarHBondContact O-CB 3.42Å; T66-K152 PolarHBondContact O-N 3.39Å; I68-K152 HydrophobicContact CD1-CB 4.16Å; I68-K152 HydrophobicContact CD1-CD 3.9Å; I68-K152 HydrophobicContact CD1-CG 4.09Å; I68-K152 HydrophobicContact CG1-CB 4.17Å; I68-K152 HydrophobicContact CG1-CD 4.19Å; T150-K152 PolarHBondContact O-N 2.94Å
153D92.4Very high90.4Very high82 Ų8257.4 Ų57.444%0.43930%0.298SS..EExtended strand (participates in β ladder)trans-149.6153.7-175.1-163.225.8000112.8T66T66-D153 PolarHBondContact N-O 3.29Å; T66-D153 PolarHBondContact O-N 3.03Å
154V92.1Very high90.1Very high12 Ų1260.8 Ų60.87%0.07332%0.316CS..EExtended strand (participates in β ladder)trans-133.6114.9176.2-178.70000107.6I63 V65 I120 L151 L161I63-V154 HydrophobicContact CD1-CG1 4.37Å; V65-V154 HydrophobicContact CG1-CG2 4.38Å; V65-V154 HydrophobicContact CG2-CG1 4.25Å; V65-V154 HydrophobicContact CG2-CG2 4.35Å; I120-V154 HydrophobicContact CG2-CG2 4.01Å; L151-V154 HydrophobicContact CD1-CG2 4.02Å; L151-V154 HydrophobicContact CD2-CG2 3.71Å; L151-V154 HydrophobicContact CG-CG2 4.07Å; V154-L161 HydrophobicContact CG1-CD1 4.34Å
155H90.6Very high89.8Confident109 Ų10962.3 Ų62.351%0.50533%0.332SS..EExtended strand (participates in β ladder)trans-115.1155.4180-170.666.8000110.4I63 S64 D157I63-H155 CarbonylContact C-O 3.6Å; I63-H155 WeakPolarHBondContact CA-O 3.41Å; S64-H155 PolarHBondContact N-O 3.1Å; S64-H155 PolarHBondContact O-N 2.87Å; H155-D157 IonicContact CD2-OD1 3.77Å
156D90.5Very high89.7Confident9 Ų967 Ų675%0.04835%0.349CS..  trans-137.9135.9175.7164.932.2000108.7P62 I63 Q158 D159 Y160 L161P62-D156 VanDerWaalsContact O-OD1 3.09Å; I63-D156 HydrophobicContact CG2-CB 4.47Å; D156-Q158 VanDerWaalsContact C-N 3.35Å; D156-Q158 PolarHBondContact OD1-N 3.34Å; D156-D159 PolarHBondContact OD2-N 3.33Å; D156-Y160 WeakPolarHBondContact OD2-CA 3.34Å; D156-Y160 WeakPolarHBondContact OD2-CB 3.36Å; D156-Y160 PolarHBondContact OD2-N 3.19Å; D156-L161 HydrophobicContact CB-CD1 4.07Å; D156-L161 HydrophobicContact CB-CG 4.46Å
157D83.1Confident89.4Confident85 Ų8569.6 Ų69.646%0.45537%0.371SS..THydrogen-bonded Turntrans-79.9-15.9-178.9-59.3-23.6000112.7H155H155-D157 IonicContact CD2-OD1 3.77Å
158Q81.1Confident89Confident144 Ų14473.8 Ų73.867%0.67338%0.379SS*.THydrogen-bonded Turntrans-109.114.7-172.7-61.8-65.6-6200114.2P62 D156 Y160P62-Q158 HydrophobicContact CG-CG 4.25Å; D156-Q158 VanDerWaalsContact C-N 3.35Å; D156-Q158 PolarHBondContact OD1-N 3.34Å; Q158-Y160 PolarHBondContact O-N 2.9Å
159D86Confident88.8Confident104 Ų10475.7 Ų75.756%0.55639%0.389SS*.  trans54.223178.4-82.9-32.5000115.2D156 H162 S163D156-D159 PolarHBondContact OD2-N 3.33Å; D159-H162 HydrophobicContact CB-CB 4.33Å; D159-H162 PolarHBondContact O-N 2.97Å; D159-S163 WeakPolarHBondContact O-CB 3.46Å; D159-S163 PolarHBondContact O-N 3.12Å; D159-S163 PolarHBondContact O-OG 3.47Å
160Y86.9Confident88.7Confident87 Ų8777.7 Ų77.734%0.34141%0.409SS..Hα-helixtrans-60.3-47.6176.4-177.3-93.6000111.1V61 V117 E118 D156 Q158 H162 S163 L164V61-Y160 HydrophobicContact CG1-CD1 4.34Å; V61-Y160 HydrophobicContact CG1-CG 4.13Å; V61-Y160 HydrophobicContact CG2-CD2 4.4Å; V61-Y160 HydrophobicContact CG2-CE2 4.33Å; V117-Y160 HydrophobicContact CB-CE1 4.26Å; V117-Y160 HydrophobicContact CG1-CD1 4.22Å; V117-Y160 HydrophobicContact CG1-CE1 4.35Å; E118-Y160 WeakPolarHBondContact OE1-CE1 3.28Å; E118-Y160 PolarHBondContact OE1-OH 3.21Å; D156-Y160 WeakPolarHBondContact OD2-CA 3.34Å; D156-Y160 WeakPolarHBondContact OD2-CB 3.36Å; D156-Y160 PolarHBondContact OD2-N 3.19Å; Q158-Y160 PolarHBondContact O-N 2.9Å; Y160-H162 VanDerWaalsContact C-N 3.29Å; Y160-H162 PolarHBondContact O-N 3.44Å; Y160-S163 PolarHBondContact O-N 3.39Å; Y160-L164 PolarHBondContact O-N 3.48Å
161L85.6Confident88.6Confident36 Ų3678.9 Ų78.919%0.18841%0.409CS..Hα-helixtrans-59.8-40.5177.6-75.9166.7000111.8V117 Y121 V154 D156 L164 G165V117-L161 HydrophobicContact CG1-CD2 3.72Å; V117-L161 HydrophobicContact CG1-CG 4.19Å; Y121-L161 HydrophobicContact CD2-CD2 3.75Å; Y121-L161 HydrophobicContact CE2-CD2 4.27Å; Y121-L161 HydrophobicContact CG-CD2 4.08Å; V154-L161 HydrophobicContact CG1-CD1 4.34Å; D156-L161 HydrophobicContact CB-CD1 4.07Å; D156-L161 HydrophobicContact CB-CG 4.46Å; L161-L164 PolarHBondContact O-N 3.32Å; L161-G165 PolarHBondContact O-N 3.05Å; L161-G165 VanDerWaalsContact O-N 3.13Å
162H86.9Confident88.6Confident100 Ų10082 Ų8246%0.46343%0.428SS..Hα-helixtrans-66.5-41.3177.3-177.566.9000111.6D159 Y160 G165 K166D159-H162 HydrophobicContact CB-CB 4.33Å; D159-H162 PolarHBondContact O-N 2.97Å; Y160-H162 VanDerWaalsContact C-N 3.29Å; Y160-H162 PolarHBondContact O-N 3.44Å; H162-G165 PolarHBondContact O-N 2.99Å; H162-K166 PolarHBondContact CD2-NZ 3.24Å; H162-K166 WeakPolarHBondContact NE2-CE 3.48Å; H162-K166 PolarHBondContact NE2-NZ 3.1Å; H162-K166 PolarHBondContact O-N 3.01Å
163S88Confident88.6Confident64 Ų6480.9 Ų80.945%0.44843%0.425SS..Hα-helixtrans-65.7-39.8177.1-61.80000112.6D159 Y160 G165 K166 A167D159-S163 WeakPolarHBondContact O-CB 3.46Å; D159-S163 PolarHBondContact O-N 3.12Å; D159-S163 PolarHBondContact O-OG 3.47Å; Y160-S163 PolarHBondContact O-N 3.39Å; S163-G165 VanDerWaalsContact C-N 3.31Å; S163-G165 PolarHBondContact O-N 2.86Å; S163-K166 PolarHBondContact O-N 3.37Å; S163-A167 PolarHBondContact O-N 3.49Å; S163-A167 VanDerWaalsContact O-N 3.15Å
164L85.1Confident88.7Confident72 Ų7283.3 Ų83.338%0.37743%0.432SS..Hα-helixtrans-61-41.4173.7-174.866.7000111.4E118 Y160 L161 R168E118-L164 HydrophobicContact CG-CD2 4.14Å; Y160-L164 PolarHBondContact O-N 3.48Å; L161-L164 PolarHBondContact O-N 3.32Å; L164-R168 PolarHBondContact O-N 3.34Å
165G86.4Confident88.8Confident34 Ų3486.8 Ų86.835%0.35145%0.45SS..Hα-helixtrans-61-47.7173.500000112.5L161 H162 S163 A167 R168 T169L161-G165 PolarHBondContact O-N 3.05Å; L161-G165 VanDerWaalsContact O-N 3.13Å; H162-G165 PolarHBondContact O-N 2.99Å; S163-G165 VanDerWaalsContact C-N 3.31Å; S163-G165 PolarHBondContact O-N 2.86Å; G165-A167 PolarHBondContact O-N 3.26Å; G165-R168 PolarHBondContact O-N 3.44Å; G165-T169 PolarHBondContact O-N 3.16Å; G165-T169 PolarHBondContact O-OG1 3.04Å; G165-T169 VanDerWaalsContact O-OG1 3.06Å
166K89.8Confident89Confident127 Ų12784.1 Ų84.155%0.55245%0.447SS*.Hα-helixtrans-55.7-46.7178.8-81.6177.5168.7158.10112.8H162 S163 R168 T169 A170H162-K166 PolarHBondContact CD2-NZ 3.24Å; H162-K166 WeakPolarHBondContact NE2-CE 3.48Å; H162-K166 PolarHBondContact NE2-NZ 3.1Å; H162-K166 PolarHBondContact O-N 3.01Å; S163-K166 PolarHBondContact O-N 3.37Å; K166-R168 VanDerWaalsContact C-N 3.34Å; K166-R168 PolarHBondContact O-N 3.48Å; K166-T169 PolarHBondContact O-N 3.42Å; K166-A170 WeakPolarHBondContact O-CB 3.4Å; K166-A170 PolarHBondContact O-N 2.89Å
167A87.7Confident89.3Confident63 Ų6391.7 Ų91.752%0.52148%0.475SS..Hα-helixtrans-60.8-43.8179.100000111.7S163 G165 A170 Q171S163-A167 PolarHBondContact O-N 3.49Å; S163-A167 VanDerWaalsContact O-N 3.15Å; G165-A167 PolarHBondContact O-N 3.26Å; A167-A170 PolarHBondContact O-N 3.46Å; A167-Q171 WeakPolarHBondContact O-CB 3.37Å; A167-Q171 PolarHBondContact O-N 3.34Å
168R85.6Confident89.8Confident161 Ų16191.5 Ų91.561%0.60847%0.473SS*.Hα-helixtrans-66.7-42.8178-171.760172-168.4-1.2111.9L164 G165 K166 Q171 V172L164-R168 PolarHBondContact O-N 3.34Å; G165-R168 PolarHBondContact O-N 3.44Å; K166-R168 VanDerWaalsContact C-N 3.34Å; K166-R168 PolarHBondContact O-N 3.48Å; R168-Q171 PolarHBondContact O-N 2.87Å; R168-V172 WeakPolarHBondContact O-CG2 3.48Å; R168-V172 PolarHBondContact O-N 3.17Å
169T89.1Confident90.5Very high76 Ų7685.9 Ų85.947%0.46645%0.453SS..Hα-helixtrans-61.8-43.7176.1-57.70000111.3G165 K166 Q171 V172 Q173G165-T169 PolarHBondContact O-N 3.16Å; G165-T169 PolarHBondContact O-OG1 3.04Å; G165-T169 VanDerWaalsContact O-OG1 3.06Å; K166-T169 PolarHBondContact O-N 3.42Å; T169-Q171 VanDerWaalsContact C-N 3.34Å; T169-Q171 PolarHBondContact O-N 3.15Å; T169-V172 PolarHBondContact O-N 2.8Å; T169-Q173 HydrophobicContact CG2-CG 4.48Å; T169-Q173 WeakPolarHBondContact O-CB 3.45Å; T169-Q173 VanDerWaalsContact O-CG 3.3Å; T169-Q173 WeakPolarHBondContact O-CG 3.37Å; T169-Q173 PolarHBondContact O-N 2.98Å
170A92.6Very high91Very high55 Ų5587.4 Ų87.446%0.45546%0.457SS..Hα-helixtrans-62.7-40.4176.500000112.1K166 A167 Q173 K174K166-A170 WeakPolarHBondContact O-CB 3.4Å; K166-A170 PolarHBondContact O-N 2.89Å; A167-A170 PolarHBondContact O-N 3.46Å; A170-Q173 PolarHBondContact O-N 3.41Å; A170-K174 WeakPolarHBondContact O-CB 3.43Å; A170-K174 PolarHBondContact O-N 2.87Å
171Q93.4Very high91.3Very high95 Ų9586.1 Ų86.144%0.44447%0.465SS..Hα-helixtrans-62.7-48.9174.8-173.6178.411.300111.5A167 R168 T169 Q173 K174 D175A167-Q171 WeakPolarHBondContact O-CB 3.37Å; A167-Q171 PolarHBondContact O-N 3.34Å; R168-Q171 PolarHBondContact O-N 2.87Å; T169-Q171 VanDerWaalsContact C-N 3.34Å; T169-Q171 PolarHBondContact O-N 3.15Å; Q171-Q173 VanDerWaalsContact C-N 3.32Å; Q171-Q173 PolarHBondContact O-N 2.97Å; Q171-K174 WeakPolarHBondContact O-CB 3.35Å; Q171-K174 PolarHBondContact O-N 3.47Å; Q171-D175 VanDerWaalsContact O-CG 3.31Å; Q171-D175 PolarHBondContact O-N 3.33Å
172V93.8Very high91.8Very high83 Ų8388 Ų8850%0.50348%0.475SS..Hα-helixtrans-61.1-41.2178.1172.30000111.2R168 T169 D175 A176R168-V172 WeakPolarHBondContact O-CG2 3.48Å; R168-V172 PolarHBondContact O-N 3.17Å; T169-V172 PolarHBondContact O-N 2.8Å; V172-D175 PolarHBondContact O-N 2.91Å; V172-A176 VanDerWaalsContact O-CB 3.31Å; V172-A176 WeakPolarHBondContact O-CB 3.44Å; V172-A176 PolarHBondContact O-N 3.01Å
173Q93.4Very high92.2Very high100 Ų10088.8 Ų88.847%0.46748%0.482SS..Hα-helixtrans-65.1-40.5175.4-74.9179.48.600112.5T169 A170 Q171 A176 R177T169-Q173 HydrophobicContact CG2-CG 4.48Å; T169-Q173 WeakPolarHBondContact O-CB 3.45Å; T169-Q173 VanDerWaalsContact O-CG 3.3Å; T169-Q173 WeakPolarHBondContact O-CG 3.37Å; T169-Q173 PolarHBondContact O-N 2.98Å; A170-Q173 PolarHBondContact O-N 3.41Å; Q171-Q173 VanDerWaalsContact C-N 3.32Å; Q171-Q173 PolarHBondContact O-N 2.97Å; Q173-A176 PolarHBondContact O-N 3.32Å; Q173-R177 WeakPolarHBondContact O-CG 3.32Å; Q173-R177 PolarHBondContact O-N 3.31Å
174K94.9Very high92.6Very high133 Ų13393.2 Ų93.258%0.57849%0.494SS*.Hα-helixtrans-60.7-49.3175.1176.8-172.7171-174.30110.4A170 Q171 A176 R177 I178A170-K174 WeakPolarHBondContact O-CB 3.43Å; A170-K174 PolarHBondContact O-N 2.87Å; Q171-K174 WeakPolarHBondContact O-CB 3.35Å; Q171-K174 PolarHBondContact O-N 3.47Å; K174-A176 VanDerWaalsContact C-N 3.33Å; K174-A176 PolarHBondContact O-N 2.97Å; K174-R177 PolarHBondContact O-N 2.95Å; K174-I178 HydrophobicContact CG-CD1 3.94Å; K174-I178 WeakPolarHBondContact O-CG1 3.38Å; K174-I178 PolarHBondContact O-N 3.23Å
175D94.6Very high93Very high86 Ų8696.5 Ų96.546%0.4650%0.501SS..Hα-helixtrans-64.3-40-178.9-65.7-17.7000111Q171 V172 I178 G179Q171-D175 VanDerWaalsContact O-CG 3.31Å; Q171-D175 PolarHBondContact O-N 3.33Å; V172-D175 PolarHBondContact O-N 2.91Å; D175-I178 PolarHBondContact O-N 3.08Å; D175-G179 PolarHBondContact O-N 2.99Å
176A94.9Very high93.5Very high52 Ų5297.2 Ų97.243%0.4350%0.497SS..Hα-helixtrans-59.8-47.8172.800000112.1V172 Q173 K174 I178 G179 E180V172-A176 VanDerWaalsContact O-CB 3.31Å; V172-A176 WeakPolarHBondContact O-CB 3.44Å; V172-A176 PolarHBondContact O-N 3.01Å; Q173-A176 PolarHBondContact O-N 3.32Å; K174-A176 VanDerWaalsContact C-N 3.33Å; K174-A176 PolarHBondContact O-N 2.97Å; A176-I178 VanDerWaalsContact C-N 3.33Å; A176-I178 PolarHBondContact O-N 3.42Å; A176-G179 PolarHBondContact O-N 3.48Å; A176-E180 WeakPolarHBondContact O-CG 3.33Å; A176-E180 PolarHBondContact O-N 2.85Å
177R95.8Very high93.7Very high169 Ų16993.6 Ų93.664%0.63849%0.491SS*.Hα-helixtrans-61.7-39.1176.9-75.1-178.8-165.7167.56.4112.6Q173 K174 E180 A181Q173-R177 WeakPolarHBondContact O-CG 3.32Å; Q173-R177 PolarHBondContact O-N 3.31Å; K174-R177 PolarHBondContact O-N 2.95Å; R177-E180 PolarHBondContact O-N 3.41Å; R177-A181 WeakPolarHBondContact O-CB 3.4Å; R177-A181 PolarHBondContact O-N 3.23Å
178I94.8Very high94.1Very high80 Ų8094.6 Ų94.641%0.4149%0.49SS..Hα-helixtrans-63.8-45.1175.5-68.8168000109.8K174 D175 A176 A181 L182K174-I178 HydrophobicContact CG-CD1 3.94Å; K174-I178 WeakPolarHBondContact O-CG1 3.38Å; K174-I178 PolarHBondContact O-N 3.23Å; D175-I178 PolarHBondContact O-N 3.08Å; A176-I178 VanDerWaalsContact C-N 3.33Å; A176-I178 PolarHBondContact O-N 3.42Å; I178-A181 PolarHBondContact O-N 3.39Å; I178-L182 HydrophobicContact CG2-CD1 3.91Å; I178-L182 HydrophobicContact CG2-CG 4.4Å; I178-L182 WeakPolarHBondContact O-CB 3.5Å; I178-L182 VanDerWaalsContact O-CG 3.32Å; I178-L182 WeakPolarHBondContact O-CG 3.35Å; I178-L182 PolarHBondContact O-N 3.37Å
179G95.9Very high94.6Very high26 Ų2691.7 Ų91.727%0.26849%0.485SS..Hα-helixtrans-59.1-46.4175.800000112.9D175 A176 L182 N183D175-G179 PolarHBondContact O-N 2.99Å; A176-G179 PolarHBondContact O-N 3.48Å; G179-L182 PolarHBondContact O-N 3.2Å; G179-N183 WeakPolarHBondContact O-CB 3.34Å; G179-N183 VanDerWaalsContact O-CG 3.28Å; G179-N183 PolarHBondContact O-N 2.84Å; G179-N183 PolarHBondContact O-ND2 3.46Å
180E95.2Very high94.8Very high136 Ų13696.8 Ų96.864%0.63650%0.496SS*.Hα-helixtrans-60.9-45175.5-74.1177.3-18000112.3A176 R177 N183 K184A176-E180 WeakPolarHBondContact O-CG 3.33Å; A176-E180 PolarHBondContact O-N 2.85Å; R177-E180 PolarHBondContact O-N 3.41Å; E180-N183 PolarHBondContact O-N 2.88Å; E180-K184 VanDerWaalsContact O-CB 3.26Å; E180-K184 WeakPolarHBondContact O-CB 3.39Å; E180-K184 PolarHBondContact O-N 3.27Å
181A93.9Very high94.9Very high61 Ų61100.3 Ų100.350%0.50450%0.503SS..Hα-helixtrans-63.9-42.6179.600000112.3R177 I178 K184 R185R177-A181 WeakPolarHBondContact O-CB 3.4Å; R177-A181 PolarHBondContact O-N 3.23Å; I178-A181 PolarHBondContact O-N 3.39Å; A181-K184 PolarHBondContact O-N 3.46Å; A181-R185 WeakPolarHBondContact O-CB 3.48Å; A181-R185 PolarHBondContact O-N 2.97Å
182L95.6Very high95Very high76 Ų7698.4 Ų98.440%0.39850%0.504SS..Hα-helixtrans-64.4-47.8176.1-71.7172000111.5I178 G179 K184 R185 D186I178-L182 HydrophobicContact CG2-CD1 3.91Å; I178-L182 HydrophobicContact CG2-CG 4.4Å; I178-L182 WeakPolarHBondContact O-CB 3.5Å; I178-L182 VanDerWaalsContact O-CG 3.32Å; I178-L182 WeakPolarHBondContact O-CG 3.35Å; I178-L182 PolarHBondContact O-N 3.37Å; G179-L182 PolarHBondContact O-N 3.2Å; L182-K184 VanDerWaalsContact C-N 3.32Å; L182-K184 PolarHBondContact O-N 2.69Å; L182-R185 WeakPolarHBondContact O-CB 3.26Å; L182-R185 PolarHBondContact O-N 2.98Å; L182-D186 VanDerWaalsContact O-CG 3.31Å; L182-D186 PolarHBondContact O-N 2.85Å
183N95.3Very high95.1Very high116 Ų11699.5 Ų99.562%0.6250%0.503SS*.Hα-helixtrans-61.2-41.4177.8-74.9-29.3000111.9G179 E180 D186 A187G179-N183 WeakPolarHBondContact O-CB 3.34Å; G179-N183 VanDerWaalsContact O-CG 3.28Å; G179-N183 PolarHBondContact O-N 2.84Å; G179-N183 PolarHBondContact O-ND2 3.46Å; E180-N183 PolarHBondContact O-N 2.88Å; N183-D186 PolarHBondContact O-N 3.49Å; N183-A187 VanDerWaalsContact O-CB 3.3Å; N183-A187 WeakPolarHBondContact O-CB 3.49Å; N183-A187 PolarHBondContact O-N 3.28Å
184K95.9Very high95.1Very high157 Ų15797.3 Ų97.368%0.68350%0.503SS*.Hα-helixtrans-65.3-43.1177-171.6171.7-175.81750111.7E180 A181 L182 A187 V188E180-K184 VanDerWaalsContact O-CB 3.26Å; E180-K184 WeakPolarHBondContact O-CB 3.39Å; E180-K184 PolarHBondContact O-N 3.27Å; A181-K184 PolarHBondContact O-N 3.46Å; L182-K184 VanDerWaalsContact C-N 3.32Å; L182-K184 PolarHBondContact O-N 2.69Å; K184-A187 PolarHBondContact O-N 2.95Å; K184-V188 VanDerWaalsContact O-CG2 3.32Å; K184-V188 WeakPolarHBondContact O-CG2 3.38Å; K184-V188 PolarHBondContact O-N 2.85Å
185R95.5Very high95.1Very high140 Ų14096.1 Ų96.153%0.52850%0.5SS..Hα-helixtrans-58.2-49.6174.7-177-164.569.7-176.8-0.5110.9A181 L182 A187 V188 I189A181-R185 WeakPolarHBondContact O-CB 3.48Å; A181-R185 PolarHBondContact O-N 2.97Å; L182-R185 WeakPolarHBondContact O-CB 3.26Å; L182-R185 PolarHBondContact O-N 2.98Å; R185-A187 VanDerWaalsContact C-N 3.34Å; R185-A187 PolarHBondContact O-N 3.43Å; R185-V188 PolarHBondContact O-N 3.13Å; R185-I189 HydrophobicContact CG-CD1 4.05Å; R185-I189 WeakPolarHBondContact O-CG1 3.04Å; R185-I189 PolarHBondContact O-N 2.89Å
186D94.9Very high95.1Very high50 Ų5098.7 Ų98.727%0.26751%0.51SS..Hα-helixtrans-68.3-35-176.7-67.4-0.5000111.6L182 N183 I189 R190L182-D186 VanDerWaalsContact O-CG 3.31Å; L182-D186 PolarHBondContact O-N 2.85Å; N183-D186 PolarHBondContact O-N 3.49Å; D186-I189 PolarHBondContact O-N 3.44Å; D186-R190 WeakPolarHBondContact O-CG 3.3Å; D186-R190 PolarHBondContact O-N 3.44Å
187A95.5Very high95Very high51 Ų51101.5 Ų101.542%0.42151%0.514SS..Hα-helixtrans-60.8-47.9171.600000111.8N183 K184 R185 I189 R190 E191N183-A187 VanDerWaalsContact O-CB 3.3Å; N183-A187 WeakPolarHBondContact O-CB 3.49Å; N183-A187 PolarHBondContact O-N 3.28Å; K184-A187 PolarHBondContact O-N 2.95Å; R185-A187 VanDerWaalsContact C-N 3.34Å; R185-A187 PolarHBondContact O-N 3.43Å; A187-I189 VanDerWaalsContact C-N 3.33Å; A187-I189 PolarHBondContact O-N 3.48Å; A187-R190 PolarHBondContact O-N 3.26Å; A187-E191 WeakPolarHBondContact O-CB 3.37Å; A187-E191 PolarHBondContact O-N 2.86Å
188V96.3Very high95Very high83 Ų8399.8 Ų99.850%0.50351%0.511SS..Hα-helixtrans-61.8-40.1178171.10000111.6K184 R185 E191 A192K184-V188 VanDerWaalsContact O-CG2 3.32Å; K184-V188 WeakPolarHBondContact O-CG2 3.38Å; K184-V188 PolarHBondContact O-N 2.85Å; R185-V188 PolarHBondContact O-N 3.13Å; V188-E191 PolarHBondContact O-N 3.48Å; V188-A192 WeakPolarHBondContact O-CB 3.36Å; V188-A192 PolarHBondContact O-N 2.83Å
189I95.1Very high95Very high100 Ų10099 Ų9951%0.51351%0.507SS..Hα-helixtrans-63.3-45.7177-68.4166.9000110.9R185 D186 A187 E191 A192 H193R185-I189 HydrophobicContact CG-CD1 4.05Å; R185-I189 WeakPolarHBondContact O-CG1 3.04Å; R185-I189 PolarHBondContact O-N 2.89Å; D186-I189 PolarHBondContact O-N 3.44Å; A187-I189 VanDerWaalsContact C-N 3.33Å; A187-I189 PolarHBondContact O-N 3.48Å; I189-E191 VanDerWaalsContact C-N 3.35Å; I189-A192 PolarHBondContact O-N 3.34Å; I189-H193 PolarHBondContact O-N 2.89Å
190R94.4Very high95Very high184 Ų184100.2 Ų100.269%0.69451%0.511SS*.Hα-helixtrans-64.3-40.8178-72.3178.7-171.5148.45.4111.8D186 A187 H193 A194D186-R190 WeakPolarHBondContact O-CG 3.3Å; D186-R190 PolarHBondContact O-N 3.44Å; A187-R190 PolarHBondContact O-N 3.26Å; R190-H193 PolarHBondContact O-N 3.38Å; R190-A194 WeakPolarHBondContact O-CB 3.43Å; R190-A194 PolarHBondContact O-N 2.86Å
191E94.1Very high94.9Very high128 Ų12895.9 Ų95.960%0.59850%0.498SS*.Hα-helixtrans-63.1-45176.3-173.1176.5-173.400111.5A187 V188 I189 H193 A194 M195A187-E191 WeakPolarHBondContact O-CB 3.37Å; A187-E191 PolarHBondContact O-N 2.86Å; V188-E191 PolarHBondContact O-N 3.48Å; I189-E191 VanDerWaalsContact C-N 3.35Å; E191-H193 VanDerWaalsContact C-N 3.35Å; E191-H193 PolarHBondContact O-N 2.89Å; E191-A194 PolarHBondContact O-N 3.45Å; E191-M195 WeakPolarHBondContact O-CB 3.36Å; E191-M195 PolarHBondContact O-N 2.97Å
192A95.3Very high94.9Very high56 Ų5697.7 Ų97.746%0.46350%0.496SS..Hα-helixtrans-60.9-42.7176.100000112V188 I189 M195 Q196V188-A192 WeakPolarHBondContact O-CB 3.36Å; V188-A192 PolarHBondContact O-N 2.83Å; I189-A192 PolarHBondContact O-N 3.34Å; A192-M195 PolarHBondContact O-N 3.11Å; A192-Q196 WeakPolarHBondContact O-CB 3.37Å; A192-Q196 PolarHBondContact O-N 3.5Å
193H95.2Very high94.9Very high105 Ų105100.8 Ų100.849%0.48650%0.504SS..Hα-helixtrans-64.5-46.9176.5-166.9-82.8000111.9I189 R190 E191 M195 Q196 E197I189-H193 PolarHBondContact O-N 2.89Å; R190-H193 PolarHBondContact O-N 3.38Å; E191-H193 VanDerWaalsContact C-N 3.35Å; E191-H193 PolarHBondContact O-N 2.89Å; H193-M195 VanDerWaalsContact C-N 3.27Å; H193-M195 PolarHBondContact O-N 3.01Å; H193-Q196 PolarHBondContact O-N 3.1Å; H193-E197 IonicContact CE1-OE1 3.87Å; H193-E197 PolarHBondContact CE1-OE1 3.47Å; H193-E197 IonicContact ND1-OE1 3.64Å; H193-E197 IonicContact ND1-OE2 3.1Å; H193-E197 WeakPolarHBondContact O-CG 3.3Å; H193-E197 PolarHBondContact O-N 2.84Å
194A94.6Very high94.9Very high55 Ų55103.8 Ų103.846%0.45551%0.506SS..Hα-helixtrans-61.5-37.3176.800000111.8R190 E191 K198R190-A194 WeakPolarHBondContact O-CB 3.43Å; R190-A194 PolarHBondContact O-N 2.86Å; E191-A194 PolarHBondContact O-N 3.45Å; A194-K198 WeakPolarHBondContact O-CB 3.44Å; A194-K198 PolarHBondContact O-N 3.44Å
195M94.6Very high94.8Very high108 Ų108101.4 Ų101.453%0.53250%0.501SS..Hα-helixtrans-66.8-43.8174.6-176.4173.2-78.200111.6E191 A192 H193 E197 K198 I199E191-M195 WeakPolarHBondContact O-CB 3.36Å; E191-M195 PolarHBondContact O-N 2.97Å; A192-M195 PolarHBondContact O-N 3.11Å; H193-M195 VanDerWaalsContact C-N 3.27Å; H193-M195 PolarHBondContact O-N 3.01Å; M195-E197 PolarHBondContact O-N 2.84Å; M195-K198 PolarHBondContact O-N 3.27Å; M195-I199 HydrophobicContact CG-CD1 3.78Å; M195-I199 HydrophobicContact CG-CG1 4.39Å; M195-I199 WeakPolarHBondContact O-CB 3.33Å; M195-I199 VanDerWaalsContact O-CG1 3.28Å; M195-I199 WeakPolarHBondContact O-CG1 3.49Å; M195-I199 PolarHBondContact O-N 2.75Å
196Q93.6Very high94.7Very high140 Ų140100 Ų10065%0.65450%0.501SS*.Hα-helixtrans-61-44.7176.5-175.4177.7-8.300111.5A192 H193 I199 S200A192-Q196 WeakPolarHBondContact O-CB 3.37Å; A192-Q196 PolarHBondContact O-N 3.5Å; H193-Q196 PolarHBondContact O-N 3.1Å; Q196-I199 PolarHBondContact O-N 2.88Å; Q196-S200 WeakPolarHBondContact O-CB 3.31Å; Q196-S200 PolarHBondContact O-N 2.94Å; Q196-S200 PolarHBondContact O-OG 3.03Å
197E94.4Very high94.7Very high111 Ų111101.9 Ų101.952%0.51951%0.51SS..Hα-helixtrans-60.4-48.6175-75-176.9156.700111.4H193 M195 I199 S200 A201H193-E197 IonicContact CE1-OE1 3.87Å; H193-E197 PolarHBondContact CE1-OE1 3.47Å; H193-E197 IonicContact ND1-OE1 3.64Å; H193-E197 IonicContact ND1-OE2 3.1Å; H193-E197 WeakPolarHBondContact O-CG 3.3Å; H193-E197 PolarHBondContact O-N 2.84Å; M195-E197 PolarHBondContact O-N 2.84Å; E197-I199 PolarHBondContact O-N 3.21Å; E197-S200 PolarHBondContact O-N 3.47Å; E197-S200 PolarHBondContact O-OG 3.29Å; E197-A201 PolarHBondContact O-N 2.97Å
198K95.5Very high94.7Very high132 Ų132103.7 Ų103.757%0.57451%0.513SS*.Hα-helixtrans-55.2-50.2176.3179.6-173.2174-1750111.8A194 M195 S200 A201 Q202A194-K198 WeakPolarHBondContact O-CB 3.44Å; A194-K198 PolarHBondContact O-N 3.44Å; M195-K198 PolarHBondContact O-N 3.27Å; K198-S200 VanDerWaalsContact C-N 3.35Å; K198-A201 PolarHBondContact O-N 3.43Å; K198-Q202 WeakPolarHBondContact O-CG 3.33Å; K198-Q202 PolarHBondContact O-N 3.22Å
199I94.6Very high94.6Very high65 Ų65106 Ų10633%0.33352%0.52SS..Hα-helixtrans-63.7-42.6-179.5-70170.5000110.3M195 Q196 E197 A201 Q202 Y203M195-I199 HydrophobicContact CG-CD1 3.78Å; M195-I199 HydrophobicContact CG-CG1 4.39Å; M195-I199 WeakPolarHBondContact O-CB 3.33Å; M195-I199 VanDerWaalsContact O-CG1 3.28Å; M195-I199 WeakPolarHBondContact O-CG1 3.49Å; M195-I199 PolarHBondContact O-N 2.75Å; Q196-I199 PolarHBondContact O-N 2.88Å; E197-I199 PolarHBondContact O-N 3.21Å; I199-A201 VanDerWaalsContact C-N 3.3Å; I199-A201 PolarHBondContact O-N 2.86Å; I199-Q202 WeakPolarHBondContact O-CB 3.32Å; I199-Q202 PolarHBondContact O-N 3.38Å; I199-Y203 HydrophobicContact CG2-CD2 3.59Å; I199-Y203 HydrophobicContact CG2-CE2 3.24Å; I199-Y203 WeakPolarHBondContact O-CD2 3.48Å; I199-Y203 PolarHBondContact O-N 3.39Å
200S94.9Very high94.6Very high50 Ų50104.2 Ų104.235%0.3552%0.519SS..Hα-helixtrans-61.9-3817877.60000112.6Q196 E197 K198 R204Q196-S200 WeakPolarHBondContact O-CB 3.31Å; Q196-S200 PolarHBondContact O-N 2.94Å; Q196-S200 PolarHBondContact O-OG 3.03Å; E197-S200 PolarHBondContact O-N 3.47Å; E197-S200 PolarHBondContact O-OG 3.29Å; K198-S200 VanDerWaalsContact C-N 3.35Å; S200-R204 WeakPolarHBondContact O-CG 3.37Å; S200-R204 PolarHBondContact O-N 2.87Å; S200-R204 VanDerWaalsContact O-N 3.07Å
201A94.3Very high94.6Very high45 Ų45100.6 Ų100.637%0.37251%0.509SS..Hα-helixtrans-68.4-40.117500000111.6E197 K198 I199 R204 N205E197-A201 PolarHBondContact O-N 2.97Å; K198-A201 PolarHBondContact O-N 3.43Å; I199-A201 VanDerWaalsContact C-N 3.3Å; I199-A201 PolarHBondContact O-N 2.86Å; A201-R204 PolarHBondContact O-N 3.28Å; A201-N205 PolarHBondContact O-N 2.81Å
202Q94Very high94.7Very high99 Ų9997.5 Ų97.546%0.46351%0.505SS..Hα-helixtrans-60.1-48.9174.1-74-178.6-38.400111.7K198 I199 R204 N205 E206K198-Q202 WeakPolarHBondContact O-CG 3.33Å; K198-Q202 PolarHBondContact O-N 3.22Å; I199-Q202 WeakPolarHBondContact O-CB 3.32Å; I199-Q202 PolarHBondContact O-N 3.38Å; Q202-R204 VanDerWaalsContact C-N 3.34Å; Q202-R204 PolarHBondContact O-N 2.83Å; Q202-N205 PolarHBondContact O-N 3.26Å; Q202-E206 WeakPolarHBondContact O-CG 3.48Å; Q202-E206 PolarHBondContact O-N 2.94Å
203Y94.1Very high94.6Very high142 Ų14299.6 Ų99.656%0.55751%0.505SS*.Hα-helixtrans-62.7-38177.7-74.5-48.3000113.1I199 E206 I207I199-Y203 HydrophobicContact CG2-CD2 3.59Å; I199-Y203 HydrophobicContact CG2-CE2 3.24Å; I199-Y203 WeakPolarHBondContact O-CD2 3.48Å; I199-Y203 PolarHBondContact O-N 3.39Å; Y203-E206 PolarHBondContact O-N 2.91Å; Y203-I207 WeakPolarHBondContact O-CB 2.99Å; Y203-I207 WeakPolarHBondContact O-CD1 3.47Å; Y203-I207 VanDerWaalsContact O-CG1 3.22Å; Y203-I207 WeakPolarHBondContact O-CG1 3.37Å; Y203-I207 PolarHBondContact O-N 3.21Å
204R96.3Very high94.7Very high178 Ų178101.6 Ų101.667%0.67251%0.508SS*.Hα-helixtrans-59.4-47.8173.8-77.9177.1178.2175.71.2111.4S200 A201 Q202 E206 I207 D208S200-R204 WeakPolarHBondContact O-CG 3.37Å; S200-R204 PolarHBondContact O-N 2.87Å; S200-R204 VanDerWaalsContact O-N 3.07Å; A201-R204 PolarHBondContact O-N 3.28Å; Q202-R204 VanDerWaalsContact C-N 3.34Å; Q202-R204 PolarHBondContact O-N 2.83Å; R204-E206 PolarHBondContact O-N 3.49Å; R204-I207 PolarHBondContact O-N 2.9Å; R204-D208 PolarHBondContact O-N 2.89Å
205N93.9Very high94.7Very high108 Ų108102.2 Ų102.258%0.57850%0.504SS*.Hα-helixtrans-61-43.8177-70.7-16.8000111.7A201 Q202 D208 M209A201-N205 PolarHBondContact O-N 2.81Å; Q202-N205 PolarHBondContact O-N 3.26Å; N205-D208 PolarHBondContact O-N 3.32Å; N205-M209 WeakPolarHBondContact O-CG 3.32Å; N205-M209 PolarHBondContact O-N 3.34Å
206E94.1Very high94.8Very high109 Ų109103.7 Ų103.751%0.50950%0.504SS..Hα-helixtrans-62.2-42.5177.2-74.7179.717800112.6Q202 Y203 R204 D208 M209 A210Q202-E206 WeakPolarHBondContact O-CG 3.48Å; Q202-E206 PolarHBondContact O-N 2.94Å; Y203-E206 PolarHBondContact O-N 2.91Å; R204-E206 PolarHBondContact O-N 3.49Å; E206-D208 VanDerWaalsContact C-N 3.32Å; E206-D208 PolarHBondContact O-N 3.27Å; E206-M209 PolarHBondContact O-N 2.99Å; E206-A210 WeakPolarHBondContact O-CB 3.42Å; E206-A210 PolarHBondContact O-N 3.08Å
207I94.4Very high94.8Very high91 Ų91101.9 Ų101.947%0.46750%0.496SS..Hα-helixtrans-60.5-44175.4-71.8165000110.5Y203 R204 A210 K211Y203-I207 WeakPolarHBondContact O-CB 2.99Å; Y203-I207 WeakPolarHBondContact O-CD1 3.47Å; Y203-I207 VanDerWaalsContact O-CG1 3.22Å; Y203-I207 WeakPolarHBondContact O-CG1 3.37Å; Y203-I207 PolarHBondContact O-N 3.21Å; R204-I207 PolarHBondContact O-N 2.9Å; I207-A210 PolarHBondContact O-N 2.92Å; I207-K211 HydrophobicContact CG2-CD 4.2Å; I207-K211 WeakPolarHBondContact O-CB 3.5Å; I207-K211 WeakPolarHBondContact O-CG 3.45Å; I207-K211 PolarHBondContact O-N 2.91Å
208D95.8Very high94.8Very high89 Ų89101.6 Ų101.648%0.47650%0.498SS..Hα-helixtrans-70.3-37.4-178.4-70.2-21.2000111.9R204 N205 E206 K211 A212R204-D208 PolarHBondContact O-N 2.89Å; N205-D208 PolarHBondContact O-N 3.32Å; E206-D208 VanDerWaalsContact C-N 3.32Å; E206-D208 PolarHBondContact O-N 3.27Å; D208-K211 PolarHBondContact O-N 3.35Å; D208-K211 IonicContact OD1-NZ 2.79Å; D208-A212 WeakPolarHBondContact O-CB 3.45Å; D208-A212 PolarHBondContact O-N 3.28Å
209M94.3Very high94.8Very high132 Ų132101.9 Ų101.965%0.6550%0.499SS*.Hα-helixtrans-62.2-45.6170.1-69.1-163.8-36.800111.8N205 E206 K211 A212 Q213N205-M209 WeakPolarHBondContact O-CG 3.32Å; N205-M209 PolarHBondContact O-N 3.34Å; E206-M209 PolarHBondContact O-N 2.99Å; M209-K211 VanDerWaalsContact C-N 3.33Å; M209-K211 PolarHBondContact O-N 2.89Å; M209-A212 PolarHBondContact O-N 2.89Å; M209-Q213 WeakPolarHBondContact O-CB 3.42Å; M209-Q213 PolarHBondContact O-N 3.46Å
210A93.9Very high94.8Very high61 Ų61103.9 Ų103.950%0.50451%0.505SS..Hα-helixtrans-63.2-39.417900000111.8E206 I207 Q213 R214E206-A210 WeakPolarHBondContact O-CB 3.42Å; E206-A210 PolarHBondContact O-N 3.08Å; I207-A210 PolarHBondContact O-N 2.92Å; A210-Q213 PolarHBondContact O-N 3.47Å; A210-R214 WeakPolarHBondContact O-CB 3.22Å; A210-R214 PolarHBondContact O-N 2.88Å
211K95.3Very high94.7Very high109 Ų109103.9 Ų103.947%0.47451%0.508SS..Hα-helixtrans-62.2-48.3172.3-75.9173.2-173.8163.70111.7I207 D208 M209 Q213 R214 D215I207-K211 HydrophobicContact CG2-CD 4.2Å; I207-K211 WeakPolarHBondContact O-CB 3.5Å; I207-K211 WeakPolarHBondContact O-CG 3.45Å; I207-K211 PolarHBondContact O-N 2.91Å; D208-K211 PolarHBondContact O-N 3.35Å; D208-K211 IonicContact OD1-NZ 2.79Å; M209-K211 VanDerWaalsContact C-N 3.33Å; M209-K211 PolarHBondContact O-N 2.89Å; K211-Q213 VanDerWaalsContact C-N 3.29Å; K211-Q213 PolarHBondContact O-N 3.41Å; K211-R214 PolarHBondContact O-N 3.44Å; K211-D215 WeakPolarHBondContact O-CB 3.22Å; K211-D215 VanDerWaalsContact O-CG 3.27Å; K211-D215 PolarHBondContact O-N 2.92Å
212A95Very high94.8Very high62 Ų62104 Ų10451%0.51251%0.509SS..Hα-helixtrans-59.9-41.6178.900000111.6D208 M209 D215 Y216D208-A212 WeakPolarHBondContact O-CB 3.45Å; D208-A212 PolarHBondContact O-N 3.28Å; M209-A212 PolarHBondContact O-N 2.89Å; A212-D215 PolarHBondContact O-N 3.43Å; A212-Y216 WeakPolarHBondContact O-CB 3.49Å; A212-Y216 PolarHBondContact O-N 3.32Å
213Q94.8Very high94.7Very high100 Ų100106.5 Ų106.547%0.46752%0.515SS..Hα-helixtrans-63.2-48.5175.6-175.863.320.500111.7M209 A210 K211 D215 Y216 E217M209-Q213 WeakPolarHBondContact O-CB 3.42Å; M209-Q213 PolarHBondContact O-N 3.46Å; A210-Q213 PolarHBondContact O-N 3.47Å; K211-Q213 VanDerWaalsContact C-N 3.29Å; K211-Q213 PolarHBondContact O-N 3.41Å; Q213-D215 VanDerWaalsContact C-N 3.34Å; Q213-D215 PolarHBondContact O-N 3.48Å; Q213-Y216 WeakPolarHBondContact O-CB 3.02Å; Q213-Y216 PolarHBondContact O-N 3.4Å; Q213-E217 PolarHBondContact NE2-OE1 3.32Å; Q213-E217 WeakPolarHBondContact O-CG 3.38Å; Q213-E217 PolarHBondContact O-N 3.25Å
214R96.5Very high94.7Very high147 Ų147103.4 Ų103.456%0.55551%0.509SS*.Hα-helixtrans-58.5-46.4176.9-172.9-16073.9165.33.1111.6A210 K211 Y216 E217 L218A210-R214 WeakPolarHBondContact O-CB 3.22Å; A210-R214 PolarHBondContact O-N 2.88Å; K211-R214 PolarHBondContact O-N 3.44Å; R214-Y216 VanDerWaalsContact C-N 3.32Å; R214-Y216 PolarHBondContact O-N 3.45Å; R214-E217 PolarHBondContact O-N 3.48Å; R214-L218 HydrophobicContact CG-CD1 4.27Å; R214-L218 WeakPolarHBondContact O-CB 3.22Å; R214-L218 WeakPolarHBondContact O-CG 3.31Å; R214-L218 PolarHBondContact O-N 2.94Å
215D94.6Very high94.5Very high68 Ų68100.8 Ų100.836%0.36451%0.505SS..Hα-helixtrans-68.3-34.5-178.4-68.9-8.4000111.5K211 A212 Q213 K219K211-D215 WeakPolarHBondContact O-CB 3.22Å; K211-D215 VanDerWaalsContact O-CG 3.27Å; K211-D215 PolarHBondContact O-N 2.92Å; A212-D215 PolarHBondContact O-N 3.43Å; Q213-D215 VanDerWaalsContact C-N 3.34Å; Q213-D215 PolarHBondContact O-N 3.48Å; D215-K219 WeakPolarHBondContact O-CB 3.44Å; D215-K219 WeakPolarHBondContact O-CG 3.42Å; D215-K219 PolarHBondContact O-N 3.5Å; D215-K219 VanDerWaalsContact O-N 3.08Å
216Y96.3Very high94.4Very high139 Ų139101.2 Ų101.255%0.54550%0.504SS..Hα-helixtrans-62-48.5170171.7-100.7000111.6A212 Q213 R214 K219 K220A212-Y216 WeakPolarHBondContact O-CB 3.49Å; A212-Y216 PolarHBondContact O-N 3.32Å; Q213-Y216 WeakPolarHBondContact O-CB 3.02Å; Q213-Y216 PolarHBondContact O-N 3.4Å; R214-Y216 VanDerWaalsContact C-N 3.32Å; R214-Y216 PolarHBondContact O-N 3.45Å; Y216-K219 PolarHBondContact O-N 2.88Å; Y216-K220 WeakPolarHBondContact O-CB 3.27Å; Y216-K220 PolarHBondContact O-N 2.93Å
217E93.8Very high94.4Very high103 Ų10399.5 Ų99.548%0.48150%0.501SS..Hα-helixtrans-63.1-42179.2-74.3173.9-171.500112.4Q213 R214 K220 A221Q213-E217 PolarHBondContact NE2-OE1 3.32Å; Q213-E217 WeakPolarHBondContact O-CG 3.38Å; Q213-E217 PolarHBondContact O-N 3.25Å; R214-E217 PolarHBondContact O-N 3.48Å; E217-K220 PolarHBondContact O-N 3.24Å; E217-A221 WeakPolarHBondContact O-CB 3.46Å; E217-A221 PolarHBondContact O-N 2.94Å
218L94.9Very high94.2Very high105 Ų10599.7 Ų99.755%0.5550%0.503SS..Hα-helixtrans-61.8-44.6175.2-74.2174.5000112R214 A221 A222R214-L218 HydrophobicContact CG-CD1 4.27Å; R214-L218 WeakPolarHBondContact O-CB 3.22Å; R214-L218 WeakPolarHBondContact O-CG 3.31Å; R214-L218 PolarHBondContact O-N 2.94Å; L218-A221 PolarHBondContact O-N 3.42Å; L218-A222 WeakPolarHBondContact O-CB 3.33Å; L218-A222 PolarHBondContact O-N 3.07Å
219K95.1Very high94Very high137 Ų13799 Ų9960%0.59650%0.502SS*.Hα-helixtrans-63.6-43.7176.1-77.3177.8-179.7176.40111.6D215 Y216 A222 Y223D215-K219 WeakPolarHBondContact O-CB 3.44Å; D215-K219 WeakPolarHBondContact O-CG 3.42Å; D215-K219 PolarHBondContact O-N 3.5Å; D215-K219 VanDerWaalsContact O-N 3.08Å; Y216-K219 PolarHBondContact O-N 2.88Å; K219-A222 PolarHBondContact O-N 3.4Å; K219-Y223 HydrophobicContact CB-CE2 4.39Å; K219-Y223 WeakPolarHBondContact O-CD2 3.37Å; K219-Y223 PolarHBondContact O-N 2.89Å
220K95.3Very high93.9Very high108 Ų10898.1 Ų98.147%0.4749%0.494SS..Hα-helixtrans-59.3-48.9176.4-175.4-176.5174.3-1700111.1Y216 E217 A222 Y223 D224Y216-K220 WeakPolarHBondContact O-CB 3.27Å; Y216-K220 PolarHBondContact O-N 2.93Å; E217-K220 PolarHBondContact O-N 3.24Å; K220-A222 VanDerWaalsContact C-N 3.3Å; K220-A222 PolarHBondContact O-N 2.89Å; K220-Y223 PolarHBondContact O-N 3.37Å; K220-D224 WeakPolarHBondContact O-CB 3.29Å; K220-D224 PolarHBondContact O-N 3.18Å
221A93.2Very high93.7Very high49 Ų49101 Ų10141%0.40550%0.495SS..Hα-helixtrans-60.7-38.9177.600000112.4E217 L218 D224 M225E217-A221 WeakPolarHBondContact O-CB 3.46Å; E217-A221 PolarHBondContact O-N 2.94Å; L218-A221 PolarHBondContact O-N 3.42Å; A221-D224 PolarHBondContact O-N 3.42Å; A221-M225 WeakPolarHBondContact O-CG 3.47Å; A221-M225 PolarHBondContact O-N 3.19Å
222A94.4Very high93.4Very high49 Ų4998.3 Ų98.341%0.40549%0.494SS..Hα-helixtrans-62.2-46.1174.700000112.3L218 K219 K220 M225 E226L218-A222 WeakPolarHBondContact O-CB 3.33Å; L218-A222 PolarHBondContact O-N 3.07Å; K219-A222 PolarHBondContact O-N 3.4Å; K220-A222 VanDerWaalsContact C-N 3.3Å; K220-A222 PolarHBondContact O-N 2.89Å; A222-M225 PolarHBondContact O-N 3.06Å; A222-E226 PolarHBondContact O-N 3.38Å
223Y93.3Very high93.2Very high150 Ų150100.4 Ų100.459%0.58849%0.493SS*.Hα-helixtrans-65.4-40.4175.7-68.4-48.9000112.6K219 K220 M225 E226 V227K219-Y223 HydrophobicContact CB-CE2 4.39Å; K219-Y223 WeakPolarHBondContact O-CD2 3.37Å; K219-Y223 PolarHBondContact O-N 2.89Å; K220-Y223 PolarHBondContact O-N 3.37Å; Y223-M225 VanDerWaalsContact C-N 3.33Å; Y223-M225 PolarHBondContact O-N 3.27Å; Y223-E226 PolarHBondContact O-N 3.42Å; Y223-V227 WeakPolarHBondContact O-CB 3.42Å; Y223-V227 VanDerWaalsContact O-CG2 3.31Å; Y223-V227 WeakPolarHBondContact O-CG2 3.49Å; Y223-V227 PolarHBondContact O-N 3.34Å
224D93.6Very high92.9Very high77 Ų7799.6 Ų99.641%0.41250%0.498SS..Hα-helixtrans-63.4-40.3177-73.1-23.9000111.1K220 A221 V227 N228K220-D224 WeakPolarHBondContact O-CB 3.29Å; K220-D224 PolarHBondContact O-N 3.18Å; A221-D224 PolarHBondContact O-N 3.42Å; D224-V227 PolarHBondContact O-N 2.9Å; D224-N228 WeakPolarHBondContact O-CB 3.27Å; D224-N228 PolarHBondContact O-N 2.99Å; D224-N228 PolarHBondContact O-ND2 3Å; D224-N228 VanDerWaalsContact O-ND2 3.11Å
225M92.9Very high92.7Very high123 Ų12398.2 Ų98.261%0.60650%0.498SS*.Hα-helixtrans-59.6-47.9171.8-76.3-170.9-63.700111.4A221 A222 Y223 N228 T229A221-M225 WeakPolarHBondContact O-CG 3.47Å; A221-M225 PolarHBondContact O-N 3.19Å; A222-M225 PolarHBondContact O-N 3.06Å; Y223-M225 VanDerWaalsContact C-N 3.33Å; Y223-M225 PolarHBondContact O-N 3.27Å; M225-N228 PolarHBondContact O-N 3.01Å; M225-T229 WeakPolarHBondContact O-CG2 3.34Å; M225-T229 PolarHBondContact O-N 2.9Å; M225-T229 PolarHBondContact O-OG1 3.39Å
226E91.5Very high92.3Very high118 Ų118101.5 Ų101.555%0.55151%0.513SS*.Hα-helixtrans-63.8-41.3179.7-169.6176.8-174.900112.6A222 Y223 T229 K230A222-E226 PolarHBondContact O-N 3.38Å; Y223-E226 PolarHBondContact O-N 3.42Å; E226-T229 PolarHBondContact O-OG1 3.45Å; E226-K230 WeakPolarHBondContact O-CB 3.22Å; E226-K230 WeakPolarHBondContact O-CG 3.39Å; E226-K230 PolarHBondContact O-N 2.89Å; E226-K230 VanDerWaalsContact O-N 3.1Å
227V92.6Very high91.8Very high72 Ų7297.7 Ų97.744%0.43651%0.51SS..Hα-helixtrans-64.9-42.6175170.20000110.6Y223 D224 K230 K231Y223-V227 WeakPolarHBondContact O-CB 3.42Å; Y223-V227 VanDerWaalsContact O-CG2 3.31Å; Y223-V227 WeakPolarHBondContact O-CG2 3.49Å; Y223-V227 PolarHBondContact O-N 3.34Å; D224-V227 PolarHBondContact O-N 2.9Å; V227-K230 PolarHBondContact O-N 3.28Å; V227-K231 HydrophobicContact CG1-CD 4.09Å; V227-K231 HydrophobicContact CG1-CG 4.47Å; V227-K231 WeakPolarHBondContact O-CB 3.35Å; V227-K231 WeakPolarHBondContact O-CG 3.49Å; V227-K231 PolarHBondContact O-N 2.93Å
228N90.5Very high91.7Very high96 Ų9699.8 Ų99.851%0.51352%0.518SS..Hα-helixtrans-70-38.9-179-73.9-25.9000112.5D224 M225 K231 A232D224-N228 WeakPolarHBondContact O-CB 3.27Å; D224-N228 PolarHBondContact O-N 2.99Å; D224-N228 PolarHBondContact O-ND2 3Å; D224-N228 VanDerWaalsContact O-ND2 3.11Å; M225-N228 PolarHBondContact O-N 3.01Å; N228-K231 PolarHBondContact O-N 2.86Å; N228-A232 WeakPolarHBondContact O-CB 3.28Å; N228-A232 PolarHBondContact O-N 3.03Å
229T91.8Very high91.4Very high74 Ų74101 Ų10145%0.45452%0.521SS..Hα-helixtrans-62.9-44.8173.854.40000110.7M225 E226 K231 A232 E233M225-T229 WeakPolarHBondContact O-CG2 3.34Å; M225-T229 PolarHBondContact O-N 2.9Å; M225-T229 PolarHBondContact O-OG1 3.39Å; E226-T229 PolarHBondContact O-OG1 3.45Å; T229-K231 PolarHBondContact O-N 2.9Å; T229-A232 PolarHBondContact O-N 3.37Å; T229-E233 WeakPolarHBondContact O-CB 3.42Å; T229-E233 WeakPolarHBondContact O-CG 3.48Å; T229-E233 PolarHBondContact O-N 3.46Å
230K92.1Very high91.1Very high113 Ų11399.2 Ų99.249%0.49152%0.517SS..Hα-helixtrans-64.3-37.5176.2-69.4-63.9170.6-157.80113.5E226 V227 E233 S234E226-K230 WeakPolarHBondContact O-CB 3.22Å; E226-K230 WeakPolarHBondContact O-CG 3.39Å; E226-K230 PolarHBondContact O-N 2.89Å; E226-K230 VanDerWaalsContact O-N 3.1Å; V227-K230 PolarHBondContact O-N 3.28Å; K230-E233 WeakPolarHBondContact CD-OE2 3.39Å; K230-E233 IonicContact NZ-OE1 2.92Å; K230-E233 IonicContact NZ-OE2 3.75Å; K230-E233 PolarHBondContact NZ-OE2 3.35Å; K230-S234 WeakPolarHBondContact O-CB 3.48Å; K230-S234 PolarHBondContact O-N 3.49Å; K230-S234 PolarHBondContact O-OG 3.38Å
231K91.2Very high90.7Very high121 Ų12199.6 Ų99.653%0.52652%0.521SS..Hα-helixtrans-63.9-47.7171.6-78.2177.2-179.6176.10111.7V227 N228 T229 E233 S234 E235V227-K231 HydrophobicContact CG1-CD 4.09Å; V227-K231 HydrophobicContact CG1-CG 4.47Å; V227-K231 WeakPolarHBondContact O-CB 3.35Å; V227-K231 WeakPolarHBondContact O-CG 3.49Å; V227-K231 PolarHBondContact O-N 2.93Å; N228-K231 PolarHBondContact O-N 2.86Å; T229-K231 PolarHBondContact O-N 2.9Å; K231-E233 PolarHBondContact O-N 2.96Å; K231-S234 WeakPolarHBondContact O-CB 3.5Å; K231-S234 PolarHBondContact O-N 2.91Å; K231-S234 VanDerWaalsContact O-N 3.13Å; K231-E235 WeakPolarHBondContact O-CG 3.41Å; K231-E235 PolarHBondContact O-N 3.19Å
232A88.8Confident90.6Very high54 Ų54100 Ų10045%0.44652%0.518SS..Hα-helixtrans-63-40.8178.600000112.2N228 T229 S234 E235 M236N228-A232 WeakPolarHBondContact O-CB 3.28Å; N228-A232 PolarHBondContact O-N 3.03Å; T229-A232 PolarHBondContact O-N 3.37Å; A232-S234 VanDerWaalsContact C-N 3.33Å; A232-S234 PolarHBondContact O-N 2.97Å; A232-E235 PolarHBondContact O-N 3.31Å; A232-M236 VanDerWaalsContact O-CB 3.25Å; A232-M236 WeakPolarHBondContact O-CB 3.47Å; A232-M236 PolarHBondContact O-N 2.73Å
233E89.7Confident90.3Very high106 Ų106100.1 Ų100.150%0.49552%0.519SS..Hα-helixtrans-58.1-45.5171.2-77.4176.7-178.900111.2T229 K230 K231 M236 A237T229-E233 WeakPolarHBondContact O-CB 3.42Å; T229-E233 WeakPolarHBondContact O-CG 3.48Å; T229-E233 PolarHBondContact O-N 3.46Å; K230-E233 WeakPolarHBondContact CD-OE2 3.39Å; K230-E233 IonicContact NZ-OE1 2.92Å; K230-E233 IonicContact NZ-OE2 3.75Å; K230-E233 PolarHBondContact NZ-OE2 3.35Å; K231-E233 PolarHBondContact O-N 2.96Å; E233-M236 PolarHBondContact O-N 2.95Å; E233-A237 WeakPolarHBondContact O-CB 3.29Å; E233-A237 PolarHBondContact O-N 2.87Å
234S89.3Confident90.1Very high82 Ų8298.2 Ų98.257%0.57351%0.514SS*.Hα-helixtrans-65.4-43.3179.1-57.90000112.2K230 K231 A232 A237 F238K230-S234 WeakPolarHBondContact O-CB 3.48Å; K230-S234 PolarHBondContact O-N 3.49Å; K230-S234 PolarHBondContact O-OG 3.38Å; K231-S234 WeakPolarHBondContact O-CB 3.5Å; K231-S234 PolarHBondContact O-N 2.91Å; K231-S234 VanDerWaalsContact O-N 3.13Å; A232-S234 VanDerWaalsContact C-N 3.33Å; A232-S234 PolarHBondContact O-N 2.97Å; S234-A237 PolarHBondContact O-N 3.43Å; S234-F238 WeakPolarHBondContact O-CB 3.35Å; S234-F238 PolarHBondContact O-N 2.94Å
235E91.2Very high89.8Confident119 Ų11997.7 Ų97.756%0.55651%0.513SS*.Hα-helixtrans-65.2-42.5175.7-75.2178.7-168.800111.8K231 A232 F238 Q239K231-E235 WeakPolarHBondContact O-CG 3.41Å; K231-E235 PolarHBondContact O-N 3.19Å; A232-E235 PolarHBondContact O-N 3.31Å; E235-F238 WeakPolarHBondContact O-CB 3.2Å; E235-F238 PolarHBondContact O-N 2.96Å; E235-Q239 WeakPolarHBondContact O-CG 3.16Å; E235-Q239 PolarHBondContact O-N 3.45Å
236M86.3Confident89.6Confident137 Ų13798.4 Ų98.468%0.67551%0.513SS*.Hα-helixtrans-64.2-41.9176.3-174.1179.7-70.800111.2A232 E233 F238 Q239 L240A232-M236 VanDerWaalsContact O-CB 3.25Å; A232-M236 WeakPolarHBondContact O-CB 3.47Å; A232-M236 PolarHBondContact O-N 2.73Å; E233-M236 PolarHBondContact O-N 2.95Å; M236-F238 VanDerWaalsContact C-N 3.33Å; M236-F238 PolarHBondContact O-N 3.49Å; M236-Q239 PolarHBondContact O-N 3.44Å; M236-L240 VanDerWaalsContact O-CB 3.29Å; M236-L240 WeakPolarHBondContact O-CB 3.41Å; M236-L240 PolarHBondContact O-N 3.26Å
237A86.8Confident89.3Confident58 Ų5898.3 Ų98.348%0.47951%0.513SS..Hα-helixtrans-61.1-42.317400000111.6E233 S234 L240 Q241E233-A237 WeakPolarHBondContact O-CB 3.29Å; E233-A237 PolarHBondContact O-N 2.87Å; S234-A237 PolarHBondContact O-N 3.43Å; A237-L240 PolarHBondContact O-N 3.44Å; A237-Q241 WeakPolarHBondContact O-CB 3.46Å; A237-Q241 PolarHBondContact O-N 3.47Å
238F90.3Very high89.1Confident148 Ų148102.5 Ų102.565%0.64952%0.521SS*.Hα-helixtrans-61.8-48.7174.4-179.7-97.4000111.8S234 E235 M236 L240 Q241 V242S234-F238 WeakPolarHBondContact O-CB 3.35Å; S234-F238 PolarHBondContact O-N 2.94Å; E235-F238 WeakPolarHBondContact O-CB 3.2Å; E235-F238 PolarHBondContact O-N 2.96Å; M236-F238 VanDerWaalsContact C-N 3.33Å; M236-F238 PolarHBondContact O-N 3.49Å; F238-L240 PolarHBondContact O-N 3.02Å; F238-Q241 WeakPolarHBondContact O-CB 3.47Å; F238-Q241 PolarHBondContact O-N 3.26Å; F238-V242 HydrophobicContact CD1-CG2 4.33Å; F238-V242 HydrophobicContact CE1-CG2 3.95Å; F238-V242 HydrophobicContact CZ-CG2 4.12Å; F238-V242 WeakPolarHBondContact O-CG2 3.49Å; F238-V242 PolarHBondContact O-N 3.43Å
239Q90.1Very high89Confident131 Ų131101.6 Ų101.661%0.61252%0.515SS*.Hα-helixtrans-62.2-41.4177.9-72.1-179.119.600112.3E235 M236 Q241 V242 A243E235-Q239 WeakPolarHBondContact O-CG 3.16Å; E235-Q239 PolarHBondContact O-N 3.45Å; M236-Q239 PolarHBondContact O-N 3.44Å; Q239-Q241 VanDerWaalsContact C-N 3.31Å; Q239-Q241 PolarHBondContact O-N 3.4Å; Q239-V242 PolarHBondContact O-N 2.89Å; Q239-A243 WeakPolarHBondContact O-CB 3.46Å; Q239-A243 PolarHBondContact O-N 3.05Å
240L88.9Confident88.7Confident98 Ų98103.1 Ų103.151%0.51352%0.517SS..Hα-helixtrans-61.2-41.9175.3-177.767000111M236 A237 F238 A243 K244M236-L240 VanDerWaalsContact O-CB 3.29Å; M236-L240 WeakPolarHBondContact O-CB 3.41Å; M236-L240 PolarHBondContact O-N 3.26Å; A237-L240 PolarHBondContact O-N 3.44Å; F238-L240 PolarHBondContact O-N 3.02Å; L240-A243 PolarHBondContact O-N 3.45Å; L240-K244 WeakPolarHBondContact O-CB 3.43Å; L240-K244 WeakPolarHBondContact O-CG 3.46Å; L240-K244 PolarHBondContact O-N 3.42Å
241Q86.6Confident88.2Confident117 Ų117102.4 Ų102.455%0.54752%0.516SS..Hα-helixtrans-64.3-42.2177.1-16967.9-4.700111.4A237 F238 Q239 T245A237-Q241 WeakPolarHBondContact O-CB 3.46Å; A237-Q241 PolarHBondContact O-N 3.47Å; F238-Q241 WeakPolarHBondContact O-CB 3.47Å; F238-Q241 PolarHBondContact O-N 3.26Å; Q239-Q241 VanDerWaalsContact C-N 3.31Å; Q239-Q241 PolarHBondContact O-N 3.4Å; Q241-T245 WeakPolarHBondContact O-CB 3.29Å; Q241-T245 PolarHBondContact O-N 3.39Å; Q241-T245 PolarHBondContact O-OG1 3.11Å
242V89.9Confident87.8Confident57 Ų57102 Ų10235%0.34552%0.515SS..Hα-helixtrans-60.1-45.6172.9172.40000111F238 Q239 T245 K246F238-V242 HydrophobicContact CD1-CG2 4.33Å; F238-V242 HydrophobicContact CE1-CG2 3.95Å; F238-V242 HydrophobicContact CZ-CG2 4.12Å; F238-V242 WeakPolarHBondContact O-CG2 3.49Å; F238-V242 PolarHBondContact O-N 3.43Å; Q239-V242 PolarHBondContact O-N 2.89Å; V242-T245 PolarHBondContact O-N 2.96Å; V242-K246 HydrophobicContact CG1-CD 4.34Å; V242-K246 WeakPolarHBondContact O-CG 3.33Å; V242-K246 PolarHBondContact O-N 3.04Å
243A89.5Confident87.5Confident52 Ų52104.5 Ų104.543%0.4352%0.516SS..Hα-helixtrans-64-46.5179.300000112.3Q239 L240 T245 K246 Q247Q239-A243 WeakPolarHBondContact O-CB 3.46Å; Q239-A243 PolarHBondContact O-N 3.05Å; L240-A243 PolarHBondContact O-N 3.45Å; A243-T245 VanDerWaalsContact C-N 3.29Å; A243-T245 PolarHBondContact O-N 3.45Å; A243-K246 PolarHBondContact O-N 3.47Å; A243-Q247 WeakPolarHBondContact O-CB 3.49Å; A243-Q247 PolarHBondContact O-N 2.98Å
244K89.5Confident87.2Confident110 Ų110104.6 Ų104.648%0.47852%0.518SS..Hα-helixtrans-58.1-41.9174-78.5-175.7177.4-178.50112L240 Q247 R248L240-K244 WeakPolarHBondContact O-CB 3.43Å; L240-K244 WeakPolarHBondContact O-CG 3.46Å; L240-K244 PolarHBondContact O-N 3.42Å; K244-Q247 PolarHBondContact O-N 3.46Å; K244-R248 WeakPolarHBondContact O-CG 3.36Å; K244-R248 PolarHBondContact O-N 2.9Å
245T85.8Confident86.7Confident66 Ų66107.3 Ų107.341%0.40552%0.521SS..Hα-helixtrans-66.1-43.4178.8-53.50000110.7Q241 V242 A243 R248 I249Q241-T245 WeakPolarHBondContact O-CB 3.29Å; Q241-T245 PolarHBondContact O-N 3.39Å; Q241-T245 PolarHBondContact O-OG1 3.11Å; V242-T245 PolarHBondContact O-N 2.96Å; A243-T245 VanDerWaalsContact C-N 3.29Å; A243-T245 PolarHBondContact O-N 3.45Å; T245-R248 PolarHBondContact O-N 3.35Å; T245-I249 HydrophobicContact CG2-CD1 4.31Å; T245-I249 VanDerWaalsContact O-CG1 3.31Å; T245-I249 WeakPolarHBondContact O-CG1 3.35Å; T245-I249 PolarHBondContact O-N 2.89Å; T245-I249 VanDerWaalsContact O-N 3.08Å
246K90.3Very high86.1Confident137 Ų137105.7 Ų105.760%0.59652%0.519SS*.Hα-helixtrans-61.5-43.6173.5-76-178.8178-177.30112.7V242 A243 I249 E250V242-K246 HydrophobicContact CG1-CD 4.34Å; V242-K246 WeakPolarHBondContact O-CG 3.33Å; V242-K246 PolarHBondContact O-N 3.04Å; A243-K246 PolarHBondContact O-N 3.47Å; K246-I249 PolarHBondContact O-N 3.3Å; K246-E250 PolarHBondContact O-N 3.35Å
247Q84.9Confident85.8Confident116 Ų116104.4 Ų104.454%0.54251%0.512SS..Hα-helixtrans-60.8-46.4177.5-175.9-178.4-11.200111.2A243 K244 I249 E250 E251A243-Q247 WeakPolarHBondContact O-CB 3.49Å; A243-Q247 PolarHBondContact O-N 2.98Å; K244-Q247 PolarHBondContact O-N 3.46Å; Q247-I249 VanDerWaalsContact C-N 3.3Å; Q247-I249 PolarHBondContact O-N 3.43Å; Q247-E250 PolarHBondContact O-N 2.9Å; Q247-E250 VanDerWaalsContact O-N 3.15Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.23Å; Q247-E251 PolarHBondContact NE2-OE1 3.39Å; Q247-E251 WeakPolarHBondContact O-CG 3.32Å; Q247-E251 PolarHBondContact O-N 2.95Å
248R87.8Confident85.5Confident160 Ų160105.9 Ų105.960%0.60452%0.515SS*.Hα-helixtrans-57.5-41.9174.6-77.418060.1-169.1-4.3112.5K244 T245 E251 E252K244-R248 WeakPolarHBondContact O-CG 3.36Å; K244-R248 PolarHBondContact O-N 2.9Å; T245-R248 PolarHBondContact O-N 3.35Å; R248-E251 PolarHBondContact O-N 3.48Å; R248-E252 WeakPolarHBondContact O-CG 3.14Å; R248-E252 PolarHBondContact O-N 2.95Å
249I87.6Confident85Confident78 Ų78102.8 Ų102.840%0.451%0.508SS..Hα-helixtrans-62.8-43176.2-68.5165.5000111.2T245 K246 Q247 E252 K253T245-I249 HydrophobicContact CG2-CD1 4.31Å; T245-I249 VanDerWaalsContact O-CG1 3.31Å; T245-I249 WeakPolarHBondContact O-CG1 3.35Å; T245-I249 PolarHBondContact O-N 2.89Å; T245-I249 VanDerWaalsContact O-N 3.08Å; K246-I249 PolarHBondContact O-N 3.3Å; Q247-I249 VanDerWaalsContact C-N 3.3Å; Q247-I249 PolarHBondContact O-N 3.43Å; I249-E252 PolarHBondContact O-N 3.41Å; I249-K253 HydrophobicContact CG2-CD 4.49Å; I249-K253 WeakPolarHBondContact O-CG 3.42Å; I249-K253 PolarHBondContact O-N 3.34Å
250E85.8Confident84.5Confident105 Ų105101.8 Ų101.849%0.49150%0.503SS..Hα-helixtrans-68.1-37.9177.5-73.6-58.8140.100112.6K246 Q247 K253 M254K246-E250 PolarHBondContact O-N 3.35Å; Q247-E250 PolarHBondContact O-N 2.9Å; Q247-E250 VanDerWaalsContact O-N 3.15Å; E250-K253 PolarHBondContact O-N 2.91Å; E250-K253 IonicContact OE1-NZ 2.64Å; E250-K253 PolarHBondContact OE1-NZ 3.17Å; E250-M254 WeakPolarHBondContact O-CB 3.12Å; E250-M254 PolarHBondContact O-N 3.43Å
251E82.4Confident83.9Confident99 Ų99105.5 Ų105.546%0.46351%0.51SS..Hα-helixtrans-60.9-45.4172.6-74.8171-171.500111.5Q247 R248 M254 Q255Q247-E251 WeakPolarHBondContact CG-OE1 3.23Å; Q247-E251 PolarHBondContact NE2-OE1 3.39Å; Q247-E251 WeakPolarHBondContact O-CG 3.32Å; Q247-E251 PolarHBondContact O-N 2.95Å; R248-E251 PolarHBondContact O-N 3.48Å; E251-M254 PolarHBondContact O-N 3.47Å; E251-Q255 PolarHBondContact O-N 3.18Å
252E82.9Confident83.6Confident112 Ų112102.3 Ų102.352%0.52350%0.504SS..Hα-helixtrans-61.8-43.7174.8-76177.2-172.500111.8R248 I249 M254 Q255 V256R248-E252 WeakPolarHBondContact O-CG 3.14Å; R248-E252 PolarHBondContact O-N 2.95Å; I249-E252 PolarHBondContact O-N 3.41Å; E252-M254 PolarHBondContact O-N 2.96Å; E252-Q255 PolarHBondContact O-N 2.92Å; E252-V256 WeakPolarHBondContact O-CG2 3.41Å; E252-V256 PolarHBondContact O-N 2.89Å
253K83.1Confident83.1Confident107 Ų107105.7 Ų105.747%0.46552%0.516SS..Hα-helixtrans-61.7-41.3174.5-74.6177.7-171.4169.30112.6I249 E250 Q255 V256 Q257I249-K253 HydrophobicContact CG2-CD 4.49Å; I249-K253 WeakPolarHBondContact O-CG 3.42Å; I249-K253 PolarHBondContact O-N 3.34Å; E250-K253 PolarHBondContact O-N 2.91Å; E250-K253 IonicContact OE1-NZ 2.64Å; E250-K253 PolarHBondContact OE1-NZ 3.17Å; K253-Q255 VanDerWaalsContact C-N 3.33Å; K253-V256 WeakPolarHBondContact O-CB 3.38Å; K253-V256 PolarHBondContact O-N 3.25Å; K253-Q257 PolarHBondContact O-N 3.19Å
254M82.4Confident82.5Confident108 Ų108108.7 Ų108.753%0.53252%0.521SS..Hα-helixtrans-63.7-40.8178.3-173.764.46700110.9E250 E251 E252 V256 Q257 V258E250-M254 WeakPolarHBondContact O-CB 3.12Å; E250-M254 PolarHBondContact O-N 3.43Å; E251-M254 PolarHBondContact O-N 3.47Å; E252-M254 PolarHBondContact O-N 2.96Å; M254-V256 VanDerWaalsContact C-N 3.31Å; M254-V256 PolarHBondContact O-N 3.32Å; M254-Q257 PolarHBondContact O-N 2.97Å; M254-Q257 VanDerWaalsContact O-N 3.16Å; M254-V258 HydrophobicContact CG-CG2 4.5Å; M254-V258 WeakPolarHBondContact O-CG2 3.45Å; M254-V258 PolarHBondContact O-N 2.91Å
255Q78.4Confident82Confident138 Ų138107.8 Ų107.865%0.64552%0.52SS*.Hα-helixtrans-58.9-42.6173.9-75-177.812.200111.8E251 E252 K253 Q257 V258 V259E251-Q255 PolarHBondContact O-N 3.18Å; E252-Q255 PolarHBondContact O-N 2.92Å; K253-Q255 VanDerWaalsContact C-N 3.33Å; Q255-Q257 PolarHBondContact O-N 2.86Å; Q255-V258 PolarHBondContact O-N 2.68Å; Q255-V259 WeakPolarHBondContact O-CG2 3.39Å; Q255-V259 PolarHBondContact O-N 3.45Å; Q255-V259 VanDerWaalsContact O-N 3.1Å
256V78.6Confident81.6Confident85 Ų85110.7 Ų110.752%0.51553%0.531SS..Hα-helixtrans-59.4-46.2174.3176.80000111E252 K253 M254 V258 V259 E260E252-V256 WeakPolarHBondContact O-CG2 3.41Å; E252-V256 PolarHBondContact O-N 2.89Å; K253-V256 WeakPolarHBondContact O-CB 3.38Å; K253-V256 PolarHBondContact O-N 3.25Å; M254-V256 VanDerWaalsContact C-N 3.31Å; M254-V256 PolarHBondContact O-N 3.32Å; V256-V258 PolarHBondContact O-N 3.3Å; V256-V259 PolarHBondContact O-N 3.15Å; V256-E260 PolarHBondContact O-N 2.89Å
257Q79.8Confident80.9Confident111 Ų111109.4 Ų109.452%0.51953%0.53SS..Hα-helixtrans-63.7-38.1178.1-73.8-173.12.700113.6K253 M254 Q255 V259 E260 R261K253-Q257 PolarHBondContact O-N 3.19Å; M254-Q257 PolarHBondContact O-N 2.97Å; M254-Q257 VanDerWaalsContact O-N 3.16Å; Q255-Q257 PolarHBondContact O-N 2.86Å; Q257-V259 VanDerWaalsContact C-N 3.33Å; Q257-E260 PolarHBondContact O-N 3.03Å; Q257-R261 WeakPolarHBondContact O-CB 3.26Å; Q257-R261 VanDerWaalsContact O-CG 3.31Å; Q257-R261 WeakPolarHBondContact O-CG 3.48Å; Q257-R261 PolarHBondContact O-N 3.37Å
258V80.7Confident80.4Confident88 Ų88109.4 Ų109.453%0.53353%0.53SS..Hα-helixtrans-64.1-40.8176.9171.70000110.5M254 Q255 V256 R261 A262M254-V258 HydrophobicContact CG-CG2 4.5Å; M254-V258 WeakPolarHBondContact O-CG2 3.45Å; M254-V258 PolarHBondContact O-N 2.91Å; Q255-V258 PolarHBondContact O-N 2.68Å; V256-V258 PolarHBondContact O-N 3.3Å; V258-R261 PolarHBondContact O-N 3.3Å; V258-A262 VanDerWaalsContact O-CB 3.28Å; V258-A262 WeakPolarHBondContact O-CB 3.41Å; V258-A262 PolarHBondContact O-N 3.28Å
259V80.3Confident79.8Confident84 Ų84107.3 Ų107.351%0.50953%0.527SS..Hα-helixtrans-63.8-45175.8174.30000111.2Q255 V256 Q257 A262 Q263Q255-V259 WeakPolarHBondContact O-CG2 3.39Å; Q255-V259 PolarHBondContact O-N 3.45Å; Q255-V259 VanDerWaalsContact O-N 3.1Å; V256-V259 PolarHBondContact O-N 3.15Å; Q257-V259 VanDerWaalsContact C-N 3.33Å; V259-A262 PolarHBondContact O-N 3.13Å; V259-Q263 WeakPolarHBondContact O-CG 3.35Å; V259-Q263 PolarHBondContact O-N 3.26Å
260E79.1Confident79.3Confident110 Ų110110.1 Ų110.151%0.51454%0.539SS..Hα-helixtrans-61-45.6175.7-71.8179.9164.900112.2V256 Q257 Q263 Q264V256-E260 PolarHBondContact O-N 2.89Å; Q257-E260 PolarHBondContact O-N 3.03Å; E260-Q263 PolarHBondContact O-N 3.18Å; E260-Q264 WeakPolarHBondContact O-CG 3.29Å; E260-Q264 PolarHBondContact O-N 2.99Å
261R77.3Confident78.6Confident176 Ų176110.5 Ų110.566%0.66454%0.54SS*.Hα-helixtrans-62.9-42.6176.6-77.6-83.1-173.1137.50.3111.9Q257 V258 Q263 Q264 I265Q257-R261 WeakPolarHBondContact O-CB 3.26Å; Q257-R261 VanDerWaalsContact O-CG 3.31Å; Q257-R261 WeakPolarHBondContact O-CG 3.48Å; Q257-R261 PolarHBondContact O-N 3.37Å; V258-R261 PolarHBondContact O-N 3.3Å; R261-Q263 VanDerWaalsContact C-N 3.33Å; R261-Q263 PolarHBondContact O-N 2.94Å; R261-Q264 WeakPolarHBondContact O-CB 2.89Å; R261-Q264 PolarHBondContact O-N 3.18Å; R261-I265 WeakPolarHBondContact O-CG1 3.28Å; R261-I265 PolarHBondContact O-N 2.89Å
262A78.9Confident78.2Confident49 Ų49110.1 Ų110.141%0.40554%0.541SS..Hα-helixtrans-62.5-41.6176.800000111.3V258 V259 Q264 I265 M266V258-A262 VanDerWaalsContact O-CB 3.28Å; V258-A262 WeakPolarHBondContact O-CB 3.41Å; V258-A262 PolarHBondContact O-N 3.28Å; V259-A262 PolarHBondContact O-N 3.13Å; A262-Q264 VanDerWaalsContact C-N 3.34Å; A262-Q264 PolarHBondContact O-N 3.33Å; A262-I265 PolarHBondContact O-N 2.93Å; A262-M266 PolarHBondContact O-N 3.49Å
263Q80.3Confident77.9Confident129 Ų129108.2 Ų108.260%0.60354%0.536SS*.Hα-helixtrans-62.7-39.3173.6-73.7175.10.200112.2V259 E260 R261 M266 L267V259-Q263 WeakPolarHBondContact O-CG 3.35Å; V259-Q263 PolarHBondContact O-N 3.26Å; E260-Q263 PolarHBondContact O-N 3.18Å; R261-Q263 VanDerWaalsContact C-N 3.33Å; R261-Q263 PolarHBondContact O-N 2.94Å; Q263-M266 PolarHBondContact O-N 2.67Å; Q263-L267 PolarHBondContact O-N 2.79Å; Q263-L267 VanDerWaalsContact O-N 3.12Å
264Q76.4Confident77.5Confident114 Ų114111.7 Ų111.753%0.53355%0.547SS..Hα-helixtrans-64.1-42.4174.5-73.9177.9-8.200112.7E260 R261 A262 L267 Q268E260-Q264 WeakPolarHBondContact O-CG 3.29Å; E260-Q264 PolarHBondContact O-N 2.99Å; R261-Q264 WeakPolarHBondContact O-CB 2.89Å; R261-Q264 PolarHBondContact O-N 3.18Å; A262-Q264 VanDerWaalsContact C-N 3.34Å; A262-Q264 PolarHBondContact O-N 3.33Å; Q264-L267 PolarHBondContact O-N 3.38Å; Q264-Q268 WeakPolarHBondContact O-CG 3.02Å; Q264-Q268 PolarHBondContact O-N 3.06Å
265I78.7Confident77Confident91 Ų91114.4 Ų114.447%0.46755%0.551SS.*Hα-helixtrans-63-44.8177.2-67.4165.5000110.3R261 A262 L267 Q268 E269R261-I265 WeakPolarHBondContact O-CG1 3.28Å; R261-I265 PolarHBondContact O-N 2.89Å; A262-I265 PolarHBondContact O-N 2.93Å; I265-L267 VanDerWaalsContact C-N 3.28Å; I265-L267 PolarHBondContact O-N 2.8Å; I265-Q268 PolarHBondContact O-N 3.47Å; I265-Q268 VanDerWaalsContact O-N 3.1Å; I265-E269 HydrophobicContact CG2-CG 4.39Å; I265-E269 PolarHBondContact O-N 3.36Å
266M77.4Confident76.8Confident128 Ų128113.6 Ų113.663%0.63155%0.547SS*.Hα-helixtrans-58.9-39.4176.3-74.7-168.6103.800112.3A262 Q263 Q270A262-M266 PolarHBondContact O-N 3.49Å; Q263-M266 PolarHBondContact O-N 2.67Å; M266-Q270 WeakPolarHBondContact O-CG 3.41Å; M266-Q270 PolarHBondContact O-N 3.13Å
267L77.1Confident76.7Confident109 Ų109117.1 Ų117.157%0.57156%0.555SS**Hα-helixtrans-64.2-42.7175.4-173.269.2000111.4Q263 Q264 I265 Q270 E271Q263-L267 PolarHBondContact O-N 2.79Å; Q263-L267 VanDerWaalsContact O-N 3.12Å; Q264-L267 PolarHBondContact O-N 3.38Å; I265-L267 VanDerWaalsContact C-N 3.28Å; I265-L267 PolarHBondContact O-N 2.8Å; L267-Q270 PolarHBondContact O-N 3.31Å; L267-E271 PolarHBondContact O-N 2.88Å; L267-E271 VanDerWaalsContact O-N 3.14Å
268Q73Confident76.2Confident117 Ų117116.6 Ų116.655%0.54755%0.553SS.*Hα-helixtrans-66.6-40.1178.1-72.2-178.8-15.700112.8Q264 I265 Q270 E271 I272Q264-Q268 WeakPolarHBondContact O-CG 3.02Å; Q264-Q268 PolarHBondContact O-N 3.06Å; I265-Q268 PolarHBondContact O-N 3.47Å; I265-Q268 VanDerWaalsContact O-N 3.1Å; Q268-Q270 VanDerWaalsContact C-N 3.29Å; Q268-Q270 PolarHBondContact O-N 2.87Å; Q268-E271 PolarHBondContact O-N 2.85Å; Q268-E271 VanDerWaalsContact O-N 3.12Å; Q268-I272 WeakPolarHBondContact O-CG1 3.23Å; Q268-I272 PolarHBondContact O-N 3.05Å
269E76.2Confident75.6Confident115 Ų115117.5 Ų117.554%0.53756%0.555SS.*Hα-helixtrans-60.5-39.7174.4-76.6-178.4163.500111.7I265 E271 I272 T273I265-E269 HydrophobicContact CG2-CG 4.39Å; I265-E269 PolarHBondContact O-N 3.36Å; E269-E271 VanDerWaalsContact C-N 3.32Å; E269-E271 PolarHBondContact O-N 3.04Å; E269-I272 PolarHBondContact O-N 3.05Å; E269-T273 WeakPolarHBondContact O-CG2 3.32Å; E269-T273 PolarHBondContact O-N 3.46Å; E269-T273 PolarHBondContact O-OG1 2.93Å; E269-T273 VanDerWaalsContact O-OG1 3.1Å
270Q76.1Confident75.1Confident138 Ų138118.6 Ų118.665%0.64555%0.554SS**Hα-helixtrans-65.3-33.9174.2-72.1-169.4-8.800112.7M266 L267 Q268 T273 R274M266-Q270 WeakPolarHBondContact O-CG 3.41Å; M266-Q270 PolarHBondContact O-N 3.13Å; L267-Q270 PolarHBondContact O-N 3.31Å; Q268-Q270 VanDerWaalsContact C-N 3.29Å; Q268-Q270 PolarHBondContact O-N 2.87Å; Q270-T273 PolarHBondContact O-OG1 3.44Å; Q270-R274 PolarHBondContact O-N 2.86Å
271E72.3Confident74.5Confident112 Ų112116.1 Ų116.152%0.52355%0.553SS.*Hα-helixtrans-71.6-39.3173.6-72.1-169157.400113L267 Q268 E269 R274 R275L267-E271 PolarHBondContact O-N 2.88Å; L267-E271 VanDerWaalsContact O-N 3.14Å; Q268-E271 PolarHBondContact O-N 2.85Å; Q268-E271 VanDerWaalsContact O-N 3.12Å; E269-E271 VanDerWaalsContact C-N 3.32Å; E269-E271 PolarHBondContact O-N 3.04Å; E271-R274 PolarHBondContact O-N 3.32Å; E271-R275 PolarHBondContact O-N 3.42Å; E271-R275 VanDerWaalsContact O-N 3.08Å
272I72.8Confident74Confident92 Ų92115.4 Ų115.447%0.47255%0.554SS.*Hα-helixtrans-62.3-47.8178-69.3166.9000110.3Q268 E269 R274 R275 E276Q268-I272 WeakPolarHBondContact O-CG1 3.23Å; Q268-I272 PolarHBondContact O-N 3.05Å; E269-I272 PolarHBondContact O-N 3.05Å; I272-R274 VanDerWaalsContact C-N 3.25Å; I272-R274 PolarHBondContact O-N 2.75Å; I272-R275 WeakPolarHBondContact O-CB 3.34Å; I272-R275 PolarHBondContact O-N 2.98Å; I272-E276 HydrophobicContact CG2-CG 4.41Å; I272-E276 PolarHBondContact O-N 3.06Å
273T78Confident73.3Confident71 Ų71117.3 Ų117.344%0.43656%0.561SS.*Hα-helixtrans-62-31.5178.952.10000113E269 Q270E269-T273 WeakPolarHBondContact O-CG2 3.32Å; E269-T273 PolarHBondContact O-N 3.46Å; E269-T273 PolarHBondContact O-OG1 2.93Å; E269-T273 VanDerWaalsContact O-OG1 3.1Å; Q270-T273 PolarHBondContact O-OG1 3.44Å
274R73.9Confident72.7Confident180 Ų180117 Ų11768%0.67956%0.558SS**Hα-helixtrans-67.1-45.2171.1-169.9-171.7-179.2-175.43.4111.5Q270 E271 I272 K277 E278Q270-R274 PolarHBondContact O-N 2.86Å; E271-R274 PolarHBondContact O-N 3.32Å; I272-R274 VanDerWaalsContact C-N 3.25Å; I272-R274 PolarHBondContact O-N 2.75Å; R274-K277 PolarHBondContact O-N 3.36Å; R274-E278 PolarHBondContact O-N 2.82Å
275R72.4Confident72.4Confident166 Ų166118.4 Ų118.463%0.62656%0.562SS**Hα-helixtrans-64.1-38.6178.5-85.1-173.1175.41411113.1E271 I272 K277 E278 L279E271-R275 PolarHBondContact O-N 3.42Å; E271-R275 VanDerWaalsContact O-N 3.08Å; I272-R275 WeakPolarHBondContact O-CB 3.34Å; I272-R275 PolarHBondContact O-N 2.98Å; R275-K277 VanDerWaalsContact C-N 3.33Å; R275-K277 PolarHBondContact O-N 3.05Å; R275-E278 PolarHBondContact O-N 2.95Å; R275-L279 PolarHBondContact O-N 3.35Å; R275-L279 VanDerWaalsContact O-N 3.09Å
276E73.7Confident72Confident121 Ų121117.5 Ų117.557%0.56556%0.562SS**Hα-helixtrans-59.4-43.8177.3-76-176.5153.300112I272 E278 L279 E280I272-E276 HydrophobicContact CG2-CG 4.41Å; I272-E276 PolarHBondContact O-N 3.06Å; E276-E278 VanDerWaalsContact C-N 3.3Å; E276-E278 PolarHBondContact O-N 2.87Å; E276-L279 PolarHBondContact O-N 3.12Å; E276-E280 WeakPolarHBondContact O-CB 3.4Å; E276-E280 PolarHBondContact O-N 3.36Å
277K75.5Confident71.6Confident158 Ų158114.1 Ų114.169%0.68755%0.554SS**Hα-helixtrans-64.2-32.4177.7-69.2179.6-179.7177.80113R274 R275 A281R274-K277 PolarHBondContact O-N 3.36Å; R275-K277 VanDerWaalsContact C-N 3.33Å; R275-K277 PolarHBondContact O-N 3.05Å; K277-A281 PolarHBondContact O-N 3.32Å
278E71.2Confident71.2Confident100 Ų100115.3 Ų115.347%0.46756%0.557SS.*Hα-helixtrans-71.5-41.1175-72.3-175178.300112.6R274 R275 E276 A281 K282R274-E278 PolarHBondContact O-N 2.82Å; R275-E278 PolarHBondContact O-N 2.95Å; E276-E278 VanDerWaalsContact C-N 3.3Å; E276-E278 PolarHBondContact O-N 2.87Å; E278-A281 PolarHBondContact O-N 3.22Å; E278-K282 PolarHBondContact O-N 3.05Å
279L66.4Low71.1Confident108 Ų108112.9 Ų112.957%0.56556%0.556SS**Hα-helixtrans-67.8-38.1178.6-76167.3000112R275 E276 A281 K282 V283R275-L279 PolarHBondContact O-N 3.35Å; R275-L279 VanDerWaalsContact O-N 3.09Å; E276-L279 PolarHBondContact O-N 3.12Å; L279-A281 VanDerWaalsContact C-N 3.33Å; L279-A281 PolarHBondContact O-N 3.36Å; L279-K282 PolarHBondContact O-N 3.28Å; L279-V283 HydrophobicContact CD2-CG2 4.4Å; L279-V283 PolarHBondContact O-N 3.33Å
280E70.3Confident70.7Confident106 Ų106114.2 Ų114.250%0.49556%0.563SS.*Iπ-helixtrans-60.6-41176.5-175.3166.6-139.700112.2E276 K284E276-E280 WeakPolarHBondContact O-CB 3.4Å; E276-E280 PolarHBondContact O-N 3.36Å; E280-K284 HydrophobicContact CG-CD 4.45Å
281A65.8Low70.5Confident59 Ų59115.7 Ų115.749%0.48856%0.562SS.*Iπ-helixtrans-70.6-37177.400000113.3K277 E278 L279K277-A281 PolarHBondContact O-N 3.32Å; E278-A281 PolarHBondContact O-N 3.22Å; L279-A281 VanDerWaalsContact C-N 3.33Å; L279-A281 PolarHBondContact O-N 3.36Å
282K67.1Low70.6Confident160 Ų160117.6 Ų117.670%0.69657%0.566SS**Iπ-helixtrans-85-34-174.2-78.5-179.5177.5172.40114.6E278 L279 P286E278-K282 PolarHBondContact O-N 3.05Å; L279-K282 PolarHBondContact O-N 3.28Å; K282-P286 WeakPolarHBondContact O-CG 3.47Å
283V65.5Low70.6Confident89 Ų89122.2 Ų122.254%0.53958%0.578SS.*Iπ-helixtrans-108.4-46.1-167.9-1760000112.6L279 P286 A287L279-V283 HydrophobicContact CD2-CG2 4.4Å; L279-V283 PolarHBondContact O-N 3.33Å; V283-P286 WeakPolarHBondContact O-CD 3.47Å; V283-A287 WeakPolarHBondContact O-CB 3.37Å
284K66.6Low70.2Confident124 Ų124124.8 Ų124.854%0.53959%0.588SS.*Iπ-helixtrans-73.1-44.9-173.3-74.2-172.1177.3177.20113.2E280 A287 E288E280-K284 HydrophobicContact CG-CD 4.45Å; K284-A287 PolarHBondContact O-N 3.46Å; K284-E288 PolarHBondContact O-N 2.64Å
285K69.8Low70.2Confident143 Ų143120.9 Ų120.962%0.62258%0.577SS**Hα-helixtrans-60.9-42.4-177.8-67.8-170.5176.1-176.30115.1A289K285-A289 PolarHBondContact O-N 2.92Å
286P70.4Confident70.1Confident71 Ų71118.2 Ų118.246%0.46157%0.57SS.*Hα-helixtrans-71.5-33.1174.522.5-29.2000113.3K282 V283 A289 E290K282-P286 WeakPolarHBondContact O-CG 3.47Å; V283-P286 WeakPolarHBondContact O-CD 3.47Å; P286-A289 PolarHBondContact O-N 3.33Å; P286-E290 PolarHBondContact O-N 3.2Å
287A69.6Low70.1Confident58 Ų58117.1 Ų117.148%0.47957%0.568SS.*Hα-helixtrans-67.6-35.9177.500000112.8V283 K284 R291V283-A287 WeakPolarHBondContact O-CB 3.37Å; K284-A287 PolarHBondContact O-N 3.46Å; A287-R291 PolarHBondContact O-N 3.14Å
288E68.6Low69.9Low134 Ų134112.3 Ų112.363%0.62656%0.557SS**Hα-helixtrans-68.4-34.5174.5-74.7178173.800112.6K284 R291 Y292K284-E288 PolarHBondContact O-N 2.64Å; E288-R291 PolarHBondContact O-N 3.23Å; E288-Y292 PolarHBondContact O-N 2.91Å
289A70.4Confident69.9Low65 Ų65113 Ų11354%0.53756%0.561SS.*Hα-helixtrans-67.6-37.7176.200000112.8K285 P286 R293K285-A289 PolarHBondContact O-N 2.92Å; P286-A289 PolarHBondContact O-N 3.33Å; A289-R293 PolarHBondContact O-N 3.04Å
290E69.3Low70Confident144 Ų144110.9 Ų110.967%0.67356%0.559SS**Hα-helixtrans-66.7-43.5174.6-84.6-133.5144.800112.7P286 Y292 R293 L294P286-E290 PolarHBondContact O-N 3.2Å; E290-Y292 VanDerWaalsContact C-N 3.3Å; E290-Y292 PolarHBondContact O-N 2.81Å; E290-R293 PolarHBondContact O-N 2.78Å; E290-L294 PolarHBondContact O-N 3.04Å
291R70.9Confident70.1Confident168 Ų168112.1 Ų112.163%0.63456%0.564SS**Hα-helixtrans-57.1-44.1177.5-101-159.867.1-167.8-2.8112.2A287 E288 R293 L294 E295A287-R291 PolarHBondContact O-N 3.14Å; E288-R291 PolarHBondContact O-N 3.23Å; R291-R293 VanDerWaalsContact C-N 3.33Å; R291-R293 PolarHBondContact O-N 2.97Å; R291-L294 PolarHBondContact O-N 3.07Å; R291-E295 IonicContact CZ-OE1 3.11Å; R291-E295 IonicContact NE-OE1 3.51Å; R291-E295 IonicContact NH2-OE1 3.91Å; R291-E295 PolarHBondContact NH2-OE1 3.25Å; R291-E295 PolarHBondContact O-N 3.48Å
292Y74.8Confident70.4Confident153 Ų153118.2 Ų118.260%0.658%0.575SS**Hα-helixtrans-64.7-36.6-179.2-170.7-98.9000112.7E288 E290 K296E288-Y292 PolarHBondContact O-N 2.91Å; E290-Y292 VanDerWaalsContact C-N 3.3Å; E290-Y292 PolarHBondContact O-N 2.81Å; Y292-K296 HydrophobicContact CE1-CG 4.48Å; Y292-K296 PolarHBondContact O-N 2.81Å
293R73.4Confident70.4Confident189 Ų189116.6 Ų116.671%0.71357%0.571SS**Hα-helixtrans-66.3-39.7177-175.2178.8173.2141.8-0.7112.2A289 E290 R291 L297A289-R293 PolarHBondContact O-N 3.04Å; E290-R293 PolarHBondContact O-N 2.78Å; R291-R293 VanDerWaalsContact C-N 3.33Å; R291-R293 PolarHBondContact O-N 2.97Å; R293-L297 PolarHBondContact O-N 3.35Å
294L69.6Low70.7Confident124 Ų124118.8 Ų118.865%0.64957%0.573SS**Hα-helixtrans-68.2-41.3-179.7-114.296.2000112.5E290 R291 K296 L297 A298E290-L294 PolarHBondContact O-N 3.04Å; R291-L294 PolarHBondContact O-N 3.07Å; L294-K296 VanDerWaalsContact C-N 3.33Å; L294-K296 PolarHBondContact O-N 2.82Å; L294-L297 PolarHBondContact O-N 3.47Å; L294-A298 PolarHBondContact O-N 3.26Å; L294-A298 VanDerWaalsContact O-N 3.17Å
295E72.7Confident70.8Confident99 Ų99119 Ų11946%0.46358%0.578SS.*Hα-helixtrans-60.8-40.6179.1-81.2173.6-175.600112R291 A298 E299R291-E295 IonicContact CZ-OE1 3.11Å; R291-E295 IonicContact NE-OE1 3.51Å; R291-E295 IonicContact NH2-OE1 3.91Å; R291-E295 PolarHBondContact NH2-OE1 3.25Å; R291-E295 PolarHBondContact O-N 3.48Å; E295-A298 PolarHBondContact O-N 3.2Å; E295-E299 PolarHBondContact O-N 3.18Å; E295-E299 VanDerWaalsContact O-N 3.15Å
296K71.6Confident70.9Confident109 Ų109116.5 Ų116.547%0.47457%0.571SS.*Hα-helixtrans-70.4-32.4179.3-73.1-72161.3-155.20114Y292 L294 E299 A300Y292-K296 HydrophobicContact CE1-CG 4.48Å; Y292-K296 PolarHBondContact O-N 2.81Å; L294-K296 VanDerWaalsContact C-N 3.33Å; L294-K296 PolarHBondContact O-N 2.82Å; K296-E299 IonicContact NZ-OE2 3.54Å; K296-E299 PolarHBondContact NZ-OE2 3.35Å; K296-A300 PolarHBondContact O-N 3.1Å
297L72.4Confident70.9Confident99 Ų99118.9 Ų118.952%0.51858%0.577SS.*Hα-helixtrans-67.7-38.9173.6-100.2157.9000111.8R293 L294 A300 Q301R293-L297 PolarHBondContact O-N 3.35Å; L294-L297 PolarHBondContact O-N 3.47Å; L297-A300 PolarHBondContact O-N 2.98Å; L297-Q301 PolarHBondContact O-N 3.49Å
298A71.4Confident70.8Confident56 Ų56121.1 Ų121.146%0.46358%0.578SS.*Hα-helixtrans-68.7-37.417800000112.8L294 E295 Q301 R302L294-A298 PolarHBondContact O-N 3.26Å; L294-A298 VanDerWaalsContact O-N 3.17Å; E295-A298 PolarHBondContact O-N 3.2Å; A298-Q301 PolarHBondContact O-N 2.98Å; A298-R302 PolarHBondContact O-N 2.9Å; A298-R302 VanDerWaalsContact O-N 3.15Å
299E71.4Confident70.8Confident115 Ų115117.5 Ų117.554%0.53757%0.571SS.*Hα-helixtrans-61.6-42.8174.1-82.7-177.9154.300112.5E295 K296 Q301 R302 M303E295-E299 PolarHBondContact O-N 3.18Å; E295-E299 VanDerWaalsContact O-N 3.15Å; K296-E299 IonicContact NZ-OE2 3.54Å; K296-E299 PolarHBondContact NZ-OE2 3.35Å; E299-Q301 VanDerWaalsContact C-N 3.34Å; E299-Q301 PolarHBondContact O-N 3.35Å; E299-R302 PolarHBondContact O-N 3.43Å; E299-M303 PolarHBondContact O-N 3.43Å; E299-M303 VanDerWaalsContact O-N 3.15Å
300A68.8Low70.8Confident64 Ų64120.7 Ų120.753%0.52957%0.574SS.*Hα-helixtrans-63.2-38.6179.100000112.6K296 L297 K304K296-A300 PolarHBondContact O-N 3.1Å; L297-A300 PolarHBondContact O-N 2.98Å; A300-K304 PolarHBondContact O-N 2.82Å
301Q72.6Confident70.7Confident131 Ų131117 Ų11761%0.61257%0.569SS**Hα-helixtrans-67.6-40177-72.3-179.9-1900112.2L297 A298 E299 M303 K304 M305L297-Q301 PolarHBondContact O-N 3.49Å; A298-Q301 PolarHBondContact O-N 2.98Å; E299-Q301 VanDerWaalsContact C-N 3.34Å; E299-Q301 PolarHBondContact O-N 3.35Å; Q301-M303 VanDerWaalsContact C-N 3.31Å; Q301-M303 PolarHBondContact O-N 3.5Å; Q301-K304 PolarHBondContact O-N 3.47Å; Q301-M305 PolarHBondContact O-N 3.4Å
302R70.8Confident70.6Confident188 Ų188115.5 Ų115.571%0.70957%0.569SS**Hα-helixtrans-63.6-39.2178.5-156.2-178.8-168.8170.73.6111.8A298 E299 I306A298-R302 PolarHBondContact O-N 2.9Å; A298-R302 VanDerWaalsContact O-N 3.15Å; E299-R302 PolarHBondContact O-N 3.43Å; R302-I306 WeakPolarHBondContact O-CG1 3.45Å; R302-I306 PolarHBondContact O-N 3.32Å
303M68.3Low70.3Confident125 Ų125111 Ų11162%0.61656%0.563SS**Hα-helixtrans-70.4-32.4-179.2-158.9165.9166.700112.6E299 Q301 M307E299-M303 PolarHBondContact O-N 3.43Å; E299-M303 VanDerWaalsContact O-N 3.15Å; Q301-M303 VanDerWaalsContact C-N 3.31Å; Q301-M303 PolarHBondContact O-N 3.5Å; M303-M307 HydrophobicContact CE-CE 4.38Å
304K71.6Confident70Confident135 Ų135106.6 Ų106.659%0.58755%0.55SS**Hα-helixtrans-67.8-42.8175.5-166.2-176.7176.6-164.90112.7A300 Q301 I306 M307 E308A300-K304 PolarHBondContact O-N 2.82Å; Q301-K304 PolarHBondContact O-N 3.47Å; K304-I306 VanDerWaalsContact C-N 3.29Å; K304-I306 PolarHBondContact O-N 3.12Å; K304-M307 PolarHBondContact O-N 2.99Å; K304-E308 VanDerWaalsContact CE-OE1 3.3Å; K304-E308 WeakPolarHBondContact CE-OE1 3.4Å; K304-E308 IonicContact NZ-OE1 3.91Å; K304-E308 PolarHBondContact O-N 3.35Å
305M68.8Low69.7Low128 Ų128103.4 Ų103.463%0.63154%0.538SS*.Hα-helixtrans-62.7-32.8178-88.4-168-80.100113.2Q301 A309Q301-M305 PolarHBondContact O-N 3.4Å; M305-A309 PolarHBondContact O-N 3.2Å
306I72Confident69.4Low92 Ų92104.4 Ų104.447%0.47255%0.546SS..Hα-helixtrans-69.8-42.9179.6-65.8168.4000111R302 K304 E308 A309 E310R302-I306 WeakPolarHBondContact O-CG1 3.45Å; R302-I306 PolarHBondContact O-N 3.32Å; K304-I306 VanDerWaalsContact C-N 3.29Å; K304-I306 PolarHBondContact O-N 3.12Å; I306-E308 PolarHBondContact O-N 3Å; I306-A309 PolarHBondContact O-N 2.97Å; I306-E310 PolarHBondContact O-N 2.83Å; I306-E310 VanDerWaalsContact O-N 3.14Å
307M69.1Low69.2Low120 Ų120105.8 Ų105.859%0.59155%0.548SS*.Hα-helixtrans-67-35.5178.3-74.4-174.4-158.600113.2M303 K304 A311M303-M307 HydrophobicContact CE-CE 4.38Å; K304-M307 PolarHBondContact O-N 2.99Å; M307-A311 PolarHBondContact O-N 3.25Å
308E69.4Low69Low106 Ų106105.3 Ų105.350%0.49555%0.549SS..Hα-helixtrans-65.6-39.6176.4-75173.5178.600111.1K304 I306 A311 E312K304-E308 VanDerWaalsContact CE-OE1 3.3Å; K304-E308 WeakPolarHBondContact CE-OE1 3.4Å; K304-E308 IonicContact NZ-OE1 3.91Å; K304-E308 PolarHBondContact O-N 3.35Å; I306-E308 PolarHBondContact O-N 3Å; E308-A311 PolarHBondContact O-N 3.4Å; E308-E312 PolarHBondContact O-N 3Å
309A68.3Low68.7Low58 Ų58109.6 Ų109.648%0.47956%0.557SS.*Hα-helixtrans-69-34.9177.300000113.7M305 I306 A313M305-A309 PolarHBondContact O-N 3.2Å; I306-A309 PolarHBondContact O-N 2.97Å; A309-A313 PolarHBondContact O-N 3.47Å
310E69.7Low68.5Low132 Ų132106 Ų10662%0.61755%0.551SS**Hα-helixtrans-68.9-36.9175.8-74.5178.1167.300112.3I306 A313 E314I306-E310 PolarHBondContact O-N 2.83Å; I306-E310 VanDerWaalsContact O-N 3.14Å; E310-A313 PolarHBondContact O-N 2.87Å; E310-E314 PolarHBondContact O-N 2.94Å
311A68Low68.4Low67 Ų67109 Ų10955%0.55455%0.554SS**Hα-helixtrans-67-37.5176.700000112.6M307 E308 S315M307-A311 PolarHBondContact O-N 3.25Å; E308-A311 PolarHBondContact O-N 3.4Å; A311-S315 PolarHBondContact O-N 3.18Å
312E68.4Low67.9Low136 Ų136105.9 Ų105.964%0.63655%0.55SS**Hα-helixtrans-67.7-40.1175.2-75.6-174.5160.900112E308 E314 S315 I316E308-E312 PolarHBondContact O-N 3Å; E312-E314 PolarHBondContact O-N 3.38Å; E312-S315 PolarHBondContact O-N 3.22Å; E312-S315 PolarHBondContact O-OG 3.35Å; E312-I316 WeakPolarHBondContact O-CG1 3.46Å; E312-I316 PolarHBondContact O-N 3.46Å
313A67.9Low67.4Low57 Ų57103.5 Ų103.547%0.47155%0.548SS..Hα-helixtrans-63.3-41.2179.300000113A309 E310 S315 I316 R317A309-A313 PolarHBondContact O-N 3.47Å; E310-A313 PolarHBondContact O-N 2.87Å; A313-S315 VanDerWaalsContact C-N 3.32Å; A313-S315 PolarHBondContact O-N 3.22Å; A313-I316 PolarHBondContact O-N 3.07Å; A313-R317 PolarHBondContact O-N 3.04Å
314E67.5Low67.2Low97 Ų97100.6 Ų100.645%0.45354%0.543SS..Hα-helixtrans-68.5-33.3178.1-155.670.7-168.700111.4E310 E312 I316 R317 V318E310-E314 PolarHBondContact O-N 2.94Å; E312-E314 PolarHBondContact O-N 3.38Å; E314-I316 VanDerWaalsContact C-N 3.33Å; E314-I316 PolarHBondContact O-N 2.92Å; E314-R317 VanDerWaalsContact CD-NH1 3.29Å; E314-R317 PolarHBondContact O-N 3.42Å; E314-R317 IonicContact OE1-CZ 3.32Å; E314-R317 IonicContact OE1-NH1 2.86Å; E314-R317 PolarHBondContact OE1-NH1 3.27Å; E314-R317 IonicContact OE1-NH2 3.26Å; E314-R317 PolarHBondContact OE1-NH2 2.84Å; E314-R317 IonicContact OE2-CZ 3.98Å; E314-R317 IonicContact OE2-NH1 3.02Å; E314-R317 PolarHBondContact OE2-NH1 3.49Å; E314-V318 PolarHBondContact O-N 2.92Å
315S62.9Low66.9Low57 Ų57101.7 Ų101.740%0.39955%0.548SS..Hα-helixtrans-65.9-33.8177.7840000113.3A311 E312 A313 K319A311-S315 PolarHBondContact O-N 3.18Å; E312-S315 PolarHBondContact O-N 3.22Å; E312-S315 PolarHBondContact O-OG 3.35Å; A313-S315 VanDerWaalsContact C-N 3.32Å; A313-S315 PolarHBondContact O-N 3.22Å; S315-K319 WeakPolarHBondContact O-CG 3.49Å; S315-K319 PolarHBondContact O-N 3.05Å
316I65.9Low66.6Low120 Ų12098.4 Ų98.462%0.61554%0.541SS*.Hα-helixtrans-73.9-38177.8-66169.3000110.1E312 A313 E314 V318 K319 G320E312-I316 WeakPolarHBondContact O-CG1 3.46Å; E312-I316 PolarHBondContact O-N 3.46Å; A313-I316 PolarHBondContact O-N 3.07Å; E314-I316 VanDerWaalsContact C-N 3.33Å; E314-I316 PolarHBondContact O-N 2.92Å; I316-V318 PolarHBondContact O-N 3.45Å; I316-K319 PolarHBondContact O-N 3.38Å; I316-G320 PolarHBondContact O-N 2.88Å
317R68Low66.1Low138 Ų13899 Ų9952%0.52155%0.549SS..Hα-helixtrans-62.1-44.8179.7-135.9-179.478-137.1-6.7112.1A313 E314 K319 G320 E321A313-R317 PolarHBondContact O-N 3.04Å; E314-R317 VanDerWaalsContact CD-NH1 3.29Å; E314-R317 PolarHBondContact O-N 3.42Å; E314-R317 IonicContact OE1-CZ 3.32Å; E314-R317 IonicContact OE1-NH1 2.86Å; E314-R317 PolarHBondContact OE1-NH1 3.27Å; E314-R317 IonicContact OE1-NH2 3.26Å; E314-R317 PolarHBondContact OE1-NH2 2.84Å; E314-R317 IonicContact OE2-CZ 3.98Å; E314-R317 IonicContact OE2-NH1 3.02Å; E314-R317 PolarHBondContact OE2-NH1 3.49Å; R317-K319 PolarHBondContact O-N 2.93Å; R317-G320 PolarHBondContact O-N 3.43Å; R317-E321 PolarHBondContact O-N 3.37Å
318V67.8Low65.9Low90 Ų9099.6 Ų99.655%0.54555%0.55SS.*Hα-helixtrans-68.7-34.2179.5178.30000112.1E314 I316 A322E314-V318 PolarHBondContact O-N 2.92Å; I316-V318 PolarHBondContact O-N 3.45Å; V318-A322 PolarHBondContact O-N 3.08Å
319K66.3Low65.5Low145 Ų14597.6 Ų97.663%0.6355%0.552SS**Hα-helixtrans-68.9-39.7174.3-75.5178.3179.41760112.3S315 I316 R317 A322 E323S315-K319 WeakPolarHBondContact O-CG 3.49Å; S315-K319 PolarHBondContact O-N 3.05Å; I316-K319 PolarHBondContact O-N 3.38Å; R317-K319 PolarHBondContact O-N 2.93Å; K319-A322 PolarHBondContact O-N 3.2Å; K319-E323 PolarHBondContact O-N 2.82Å; K319-E323 VanDerWaalsContact O-N 3.17Å
320G66.1Low65.2Low39 Ų39102 Ų10240%0.40256%0.56SS.*Hα-helixtrans-65-37178.200000113.9I316 R317 E323 A324I316-G320 PolarHBondContact O-N 2.88Å; R317-G320 PolarHBondContact O-N 3.43Å; G320-E323 PolarHBondContact O-N 2.94Å; G320-A324 PolarHBondContact O-N 3.1Å; G320-A324 VanDerWaalsContact O-N 3.15Å
321E67.8Low64.9Low128 Ų12897.6 Ų97.660%0.59855%0.55SS**Hα-helixtrans-68.1-34.9176.2-73.7176.5179.300112.5R317 F325R317-E321 PolarHBondContact O-N 3.37Å; E321-F325 PolarHBondContact O-N 2.92Å
322A60.7Low64.8Low65 Ų65103.4 Ų103.454%0.53756%0.558SS.*Hα-helixtrans-71.4-36.5177.100000112.9V318 K319 A326V318-A322 PolarHBondContact O-N 3.08Å; K319-A322 PolarHBondContact O-N 3.2Å; A322-A326 PolarHBondContact O-N 2.96Å
323E61.2Low64.4Low139 Ų13999.7 Ų99.765%0.6555%0.55SS**Hα-helixtrans-70.5-37.1176.9-73.4179.4173.900112.1K319 G320 F325 A326 V327K319-E323 PolarHBondContact O-N 2.82Å; K319-E323 VanDerWaalsContact O-N 3.17Å; G320-E323 PolarHBondContact O-N 2.94Å; E323-F325 PolarHBondContact O-N 2.88Å; E323-A326 PolarHBondContact O-N 3.14Å; E323-V327 WeakPolarHBondContact O-CG2 3.35Å; E323-V327 PolarHBondContact O-N 2.87Å
324A63.5Low64Low63 Ų63103 Ų10352%0.52156%0.556SS.*Hα-helixtrans-62.4-41176.100000112.5G320 A326 V327 E328G320-A324 PolarHBondContact O-N 3.1Å; G320-A324 VanDerWaalsContact O-N 3.15Å; A324-A326 VanDerWaalsContact C-N 3.34Å; A324-A326 PolarHBondContact O-N 3.12Å; A324-V327 PolarHBondContact O-N 3.42Å; A324-E328 PolarHBondContact O-N 3.3Å
325F66.6Low63.7Low159 Ų159101.3 Ų101.370%0.69756%0.559SS**Hα-helixtrans-67.8-33.9178.2-152.8-91.2000112.5E321 E323 A329E321-F325 PolarHBondContact O-N 2.92Å; E323-F325 PolarHBondContact O-N 2.88Å; F325-A329 PolarHBondContact O-N 2.88Å
326A61Low63.5Low59 Ų59104.9 Ų104.949%0.48857%0.569SS.*Hα-helixtrans-70-33.7177.300000112.9A322 E323 A324 K330A322-A326 PolarHBondContact O-N 2.96Å; E323-A326 PolarHBondContact O-N 3.14Å; A324-A326 VanDerWaalsContact C-N 3.34Å; A324-A326 PolarHBondContact O-N 3.12Å; A326-K330 PolarHBondContact O-N 2.65Å
327V62.3Low63.1Low104 Ų104105.5 Ų105.563%0.6357%0.57SS**Hα-helixtrans-73.2-38.8177.3174.10000111.3E323 A324 K330 G331E323-V327 WeakPolarHBondContact O-CG2 3.35Å; E323-V327 PolarHBondContact O-N 2.87Å; A324-V327 PolarHBondContact O-N 3.42Å; V327-K330 PolarHBondContact O-N 2.87Å; V327-G331 PolarHBondContact O-N 3.44Å
328E63.9Low62.6Low133 Ų133105.5 Ų105.562%0.62158%0.577SS**Hα-helixtrans-65.9-39.6178-160.9179.8179.800112.2A324 G331 R332A324-E328 PolarHBondContact O-N 3.3Å; E328-G331 PolarHBondContact O-N 2.79Å; E328-R332 PolarHBondContact O-N 3.27Å
329A62.2Low62.3Low64 Ų64104 Ų10453%0.52957%0.574SS.*Hα-helixtrans-66.5-39175.500000112.8F325 A333F325-A329 PolarHBondContact O-N 2.88Å; A329-A333 PolarHBondContact O-N 3.1Å
330K62.4Low61.9Low149 Ų149104.4 Ų104.465%0.64858%0.576SS**Hα-helixtrans-65.2-43.5173.7-90-175.6173.8-179.30112.1A326 V327 R332 A333 E334A326-K330 PolarHBondContact O-N 2.65Å; V327-K330 PolarHBondContact O-N 2.87Å; K330-R332 VanDerWaalsContact C-N 3.3Å; K330-R332 PolarHBondContact O-N 3.49Å; K330-A333 PolarHBondContact O-N 3.46Å; K330-E334 PolarHBondContact O-N 3.07Å
331G62.2Low61.4Low40 Ų40108.3 Ų108.341%0.41258%0.582SS.*Hα-helixtrans-61.8-36179.300000113.2V327 E328 A335V327-G331 PolarHBondContact O-N 3.44Å; E328-G331 PolarHBondContact O-N 2.79Å; G331-A335 PolarHBondContact O-N 2.89Å; G331-A335 VanDerWaalsContact O-N 3.16Å
332R66.3Low60.8Low190 Ų190105 Ų10572%0.71758%0.577SS**Hα-helixtrans-71-36177.5-158-178.9-91.9-162.7-2.7112.6E328 K330 E336E328-R332 PolarHBondContact O-N 3.27Å; K330-R332 VanDerWaalsContact C-N 3.3Å; K330-R332 PolarHBondContact O-N 3.49Å; R332-E336 PolarHBondContact O-N 2.76Å
333A59.8Low60.5Low57 Ų57108.5 Ų108.547%0.47158%0.582SS.*Hα-helixtrans-72.1-36.1176.900000112.9A329 K330 E336 Q337A329-A333 PolarHBondContact O-N 3.1Å; K330-A333 PolarHBondContact O-N 3.46Å; A333-E336 PolarHBondContact O-N 2.76Å; A333-Q337 PolarHBondContact O-N 3.24Å; A333-Q337 VanDerWaalsContact O-N 3.11Å
334E60.5Low60.2Low126 Ų126105.1 Ų105.159%0.58958%0.578SS**Hα-helixtrans-68.4-37.1175.6-73.8179.1177.900112K330 Q337 M338K330-E334 PolarHBondContact O-N 3.07Å; E334-Q337 PolarHBondContact O-N 2.8Å; E334-M338 WeakPolarHBondContact O-CB 3.34Å; E334-M338 PolarHBondContact O-N 3.28Å
335A60Low59.8Low63 Ų63109.7 Ų109.752%0.52159%0.586SS.*Hα-helixtrans-63.1-40.5175.200000112.7G331 M338 A339G331-A335 PolarHBondContact O-N 2.89Å; G331-A335 VanDerWaalsContact O-N 3.16Å; A335-M338 PolarHBondContact O-N 3.06Å; A335-A339 WeakPolarHBondContact O-CB 3.22Å; A335-A339 PolarHBondContact O-N 3.25Å
336E58.7Low59Low131 Ų131112 Ų11261%0.61259%0.59SS**Hα-helixtrans-70.2-36.5175.4-75.8-174.3169.700112.8R332 A333 M338 K340R332-E336 PolarHBondContact O-N 2.76Å; A333-E336 PolarHBondContact O-N 2.76Å; E336-M338 VanDerWaalsContact C-N 3.34Å; E336-K340 PolarHBondContact O-N 2.92Å; E336-K340 VanDerWaalsContact O-N 3.1Å
337Q57.7Low58.4Low133 Ų133117.4 Ų117.462%0.62161%0.605SS**Hα-helixtrans-63.7-40.1171.7-89.9-138.9-36.400112A333 E334 K340 K341A333-Q337 PolarHBondContact O-N 3.24Å; A333-Q337 VanDerWaalsContact O-N 3.11Å; E334-Q337 PolarHBondContact O-N 2.8Å; Q337-K340 PolarHBondContact O-N 3.28Å; Q337-K341 WeakPolarHBondContact O-CB 3.45Å; Q337-K341 PolarHBondContact O-N 3.4Å
338M59Low57.6Low138 Ų138122.5 Ų122.568%0.6862%0.615SS**Hα-helixtrans-72.1-34.1-178.4-152.4175.3-83.700111.4E334 A335 E336 K341 A342E334-M338 WeakPolarHBondContact O-CB 3.34Å; E334-M338 PolarHBondContact O-N 3.28Å; A335-M338 PolarHBondContact O-N 3.06Å; E336-M338 VanDerWaalsContact C-N 3.34Å; M338-K341 PolarHBondContact O-N 3.37Å; M338-A342 WeakPolarHBondContact O-CB 2.97Å; M338-A342 PolarHBondContact O-N 3.3Å
339A60.2Low56.4Low59 Ų59124.9 Ų124.949%0.48862%0.623SS.*Hα-helixtrans-65.7-43.1171.600000112.7A335 A342 E343A335-A339 WeakPolarHBondContact O-CB 3.22Å; A335-A339 PolarHBondContact O-N 3.25Å; A339-A342 WeakPolarHBondContact O-CB 3.3Å; A339-A342 PolarHBondContact O-N 3.49Å; A339-E343 PolarHBondContact O-N 3.45Å; A339-E343 VanDerWaalsContact O-N 3.15Å
340K58.6Low55.6Low153 Ų153129.7 Ų129.767%0.66564%0.64SS**Hα-helixtrans-68.3-35.4175-75.3-177.8179.9175.20112.9E336 Q337 A342 E343 A344E336-K340 PolarHBondContact O-N 2.92Å; E336-K340 VanDerWaalsContact O-N 3.1Å; Q337-K340 PolarHBondContact O-N 3.28Å; K340-A342 VanDerWaalsContact C-N 3.32Å; K340-E343 PolarHBondContact O-N 3.26Å; K340-A344 PolarHBondContact O-N 3.18Å
341K55.3Low54.9Low122 Ų122125.9 Ų125.953%0.5364%0.643SS.*Hα-helixtrans-61.2-42.3169.5-87.8-179.1173.9177.10110.8Q337 M338 E343 A344 F345Q337-K341 WeakPolarHBondContact O-CB 3.45Å; Q337-K341 PolarHBondContact O-N 3.4Å; M338-K341 PolarHBondContact O-N 3.37Å; K341-E343 VanDerWaalsContact C-N 3.32Å; K341-E343 PolarHBondContact O-N 3.34Å; K341-A344 PolarHBondContact O-N 3.36Å; K341-F345 HydrophobicContact CB-CD2 4.27Å; K341-F345 HydrophobicContact CB-CE2 4.11Å; K341-F345 HydrophobicContact CG-CE2 4.47Å; K341-F345 WeakPolarHBondContact O-CD2 3.33Å; K341-F345 PolarHBondContact O-N 2.78Å
342A55.9Low54.2Low58 Ų58128.1 Ų128.148%0.47966%0.658SS.*Hα-helixtrans-65.2-30.517900000113.7M338 A339 K340M338-A342 WeakPolarHBondContact O-CB 2.97Å; M338-A342 PolarHBondContact O-N 3.3Å; A339-A342 WeakPolarHBondContact O-CB 3.3Å; A339-A342 PolarHBondContact O-N 3.49Å; K340-A342 VanDerWaalsContact C-N 3.32Å
343E54.2Low53.4Low139 Ų139127.1 Ų127.165%0.6566%0.663SS**Hα-helixtrans-72.1-38.4170.8-85.9-178.8152.200112.8A339 K340 K341 F345 R346A339-E343 PolarHBondContact O-N 3.45Å; A339-E343 VanDerWaalsContact O-N 3.15Å; K340-E343 PolarHBondContact O-N 3.26Å; K341-E343 VanDerWaalsContact C-N 3.32Å; K341-E343 PolarHBondContact O-N 3.34Å; E343-F345 VanDerWaalsContact C-N 3.33Å; E343-F345 PolarHBondContact O-N 3.25Å; E343-R346 PolarHBondContact O-N 2.89Å
344A54.4Low53.1Low68 Ų68129.4 Ų129.456%0.56267%0.671SS**Hα-helixtrans-69.4-27.6175.700000113.4K340 K341 R346K340-A344 PolarHBondContact O-N 3.18Å; K341-A344 PolarHBondContact O-N 3.36Å; A344-R346 VanDerWaalsContact C-N 3.31Å; A344-R346 PolarHBondContact O-N 2.94Å
345F53.9Low52.5Low158 Ų158129.8 Ų129.869%0.69368%0.677SS**THydrogen-bonded Turntrans-77.9-7.6177.1-78.8-61.7000114.5K341 E343K341-F345 HydrophobicContact CB-CD2 4.27Å; K341-F345 HydrophobicContact CB-CE2 4.11Å; K341-F345 HydrophobicContact CG-CE2 4.47Å; K341-F345 WeakPolarHBondContact O-CD2 3.33Å; K341-F345 PolarHBondContact O-N 2.78Å; E343-F345 VanDerWaalsContact C-N 3.33Å; E343-F345 PolarHBondContact O-N 3.25Å
346R51Low52.1Low209 Ų209134 Ų13479%0.78969%0.688SS**THydrogen-bonded Turntrans-77.6-18.1175.6-83.6-179172.3166.2-0.9114.2E343 A344E343-R346 PolarHBondContact O-N 2.89Å; A344-R346 VanDerWaalsContact C-N 3.31Å; A344-R346 PolarHBondContact O-N 2.94Å
347E48.1Very low51.6Low172 Ų172133.5 Ų133.580%0.80469%0.688SS**SBendtrans-99.6-6.4-174.4-72.7-165.2154.300115.4
348Y45.6Very low51.2Low211 Ų211132.9 Ų132.983%0.82769%0.689SS**  trans-111.294.1180-90.9-94.7000111.8
349K38.6Very low51Low183 Ų183134 Ų13480%0.79669%0.692SS**  trans-80.3131177.7-78.2-175.4176.2179.50112.9G351K349-G351 PolarHBondContact O-N 3.2Å
350D44.6Very low50.9Low164 Ų164137.8 Ų137.888%0.87770%0.698SS**SBendtrans74.811.8147.4-56.4-25.4000121.6
351G48.2Very low50.7Low69 Ų69135.8 Ų135.871%0.71169%0.694SS**  trans-115.8-17.6-178.200000119.1K349K349-G351 PolarHBondContact O-N 3.2Å
352A47Very low50.8Low88 Ų88134 Ų13473%0.72769%0.694SS**THydrogen-bonded Turntrans-110.925.5-156.500000116.3
353M51.1Low50.8Low169 Ų169136 Ų13683%0.83370%0.697SS**THydrogen-bonded Turntrans-91.7-8.7174.4-147.7157.2-17400113.3
354V52.2Low50.8Low105 Ų105135.9 Ų135.964%0.63670%0.698SS**SBendtrans-92.5-28-177.3-176.20000112.4L357V354-L357 PolarHBondContact O-N 3.37Å
355D48.3Very low50.9Low133 Ų133135.7 Ų135.771%0.71170%0.697SS**Hα-helixtrans-75.2-33.7-175.1-14126.5000112.8L357 L358D355-L357 PolarHBondContact O-N 3.08Å; D355-L358 PolarHBondContact O-N 3.37Å
356M51.2Low50.9Low153 Ų153134.5 Ų134.575%0.75469%0.693SS**Hα-helixtrans-69.2-18.1177.3-152.3177.677.200113.1
357L47.8Very low51.5Low119 Ų119130 Ų13062%0.62368%0.681SS**Hα-helixtrans-88.6-24.6-179.7-121.4136.2000112.4V354 D355V354-L357 PolarHBondContact O-N 3.37Å; D355-L357 PolarHBondContact O-N 3.08Å
358L50.5Low52Low120 Ų120128.2 Ų128.263%0.62868%0.676SS**Hα-helixtrans-75.7-30.8176.2-112.287.7000113D355D355-L358 PolarHBondContact O-N 3.37Å
359E53.8Low52.5Low162 Ų162121.3 Ų121.376%0.75766%0.658SS**SBendtrans-74.8-23.5178.1-87.1-171.215600114.4P362E359-P362 WeakPolarHBondContact O-CD 3.44Å
360K59.2Low53.5Low139 Ų139120 Ų12060%0.60465%0.648SS**SBendtrans-92.1-9.9-175.7-77.2-75.5-179.2-179.60114.4L363K360-L363 HydrophobicContact CD-CD1 4.31Å
361L52.9Low54Low110 Ų110117.5 Ų117.558%0.57664%0.64SS**Hα-helixtrans-67-35178.4-79.6164.1000115.1L363L361-L363 PolarHBondContact O-N 2.82Å
362P57.6Low54.1Low84 Ų84121.6 Ų121.655%0.54565%0.645SS.*Hα-helixtrans-65.9-35.7179.1-20.532.3000113.5E359 M364 A365 E366E359-P362 WeakPolarHBondContact O-CD 3.44Å; P362-M364 VanDerWaalsContact C-N 3.28Å; P362-M364 PolarHBondContact O-N 2.79Å; P362-A365 PolarHBondContact O-N 2.86Å; P362-A365 VanDerWaalsContact O-N 3.15Å; P362-E366 PolarHBondContact O-N 2.87Å
363L56.1Low54.6Low100 Ų100122.3 Ų122.352%0.52464%0.644SS.*Hα-helixtrans-70.8-22.4-175.7-69.6168.4000113.2K360 L361K360-L363 HydrophobicContact CD-CD1 4.31Å; L361-L363 PolarHBondContact O-N 2.82Å
364M54.8Low54.9Low137 Ų137122.5 Ų122.568%0.67564%0.643SS**Hα-helixtrans-81.7-23.2173.7-63.8-133.278.400112.7P362 I368P362-M364 VanDerWaalsContact C-N 3.28Å; P362-M364 PolarHBondContact O-N 2.79Å; M364-I368 WeakPolarHBondContact O-CD1 3.13Å; M364-I368 WeakPolarHBondContact O-CG1 3.33Å
365A55.7Low54.8Low65 Ų65121 Ų12154%0.53764%0.642SS.*Hα-helixtrans-74.5-35.3176.600000112.2P362P362-A365 PolarHBondContact O-N 2.86Å; P362-A365 VanDerWaalsContact O-N 3.15Å
366E55.5Low54.9Low132 Ų132122.3 Ų122.362%0.61765%0.649SS**Hα-helixtrans-67.2-44.1-179-162.5164.1-17000111.8P362 I368 S369P362-E366 PolarHBondContact O-N 2.87Å; E366-I368 VanDerWaalsContact C-N 3.3Å; E366-I368 PolarHBondContact O-N 3.26Å; E366-S369 PolarHBondContact O-N 3.46Å; E366-S369 PolarHBondContact O-OG 3.17Å
367E63.2Low54.4Low114 Ų114123.8 Ų123.853%0.53365%0.651SS.*Hα-helixtrans-70.2-23.1-175.4-141.464.9-149.100113.8R370E367-R370 IonicContact OE1-CZ 3.84Å; E367-R370 IonicContact OE1-NH1 2.87Å; E367-R370 PolarHBondContact OE1-NH1 3.2Å
368I58.3Low54.9Low136 Ų136123.8 Ų123.870%0.69766%0.655SS**Hα-helixtrans-79.5-23.8177-64173.3000111.7M364 E366 P371M364-I368 WeakPolarHBondContact O-CD1 3.13Å; M364-I368 WeakPolarHBondContact O-CG1 3.33Å; E366-I368 VanDerWaalsContact C-N 3.3Å; E366-I368 PolarHBondContact O-N 3.26Å; I368-P371 VanDerWaalsContact O-CD 3.28Å; I368-P371 WeakPolarHBondContact O-CD 3.41Å
369S56.2Low54.4Low65 Ų65123.7 Ų123.746%0.45566%0.66SS.*Hα-helixtrans-89.1-14.7-175.869.70000114.7E366 L372E366-S369 PolarHBondContact O-N 3.46Å; E366-S369 PolarHBondContact O-OG 3.17Å; S369-L372 PolarHBondContact O-N 3.33Å
370R60.3Low54.3Low157 Ų157123.1 Ų123.159%0.59266%0.659SS**Hα-helixtrans-54.5-35.1-179-123.7171.785.3179.710.7115.7E367 L372 C373E367-R370 IonicContact OE1-CZ 3.84Å; E367-R370 IonicContact OE1-NH1 2.87Å; E367-R370 PolarHBondContact OE1-NH1 3.2Å; R370-L372 PolarHBondContact O-N 3.05Å; R370-C373 PolarHBondContact O-N 3.3Å
371P53.7Low53.6Low110 Ų110123.8 Ų123.871%0.71467%0.674SS**Hα-helixtrans-68.3-6.9-177.5-17.430.6000115.2I368I368-P371 VanDerWaalsContact O-CD 3.28Å; I368-P371 WeakPolarHBondContact O-CD 3.41Å
372L50Low53.2Low155 Ų155122.8 Ų122.881%0.81268%0.676SS**Hα-helixtrans-106.7-19.4-178.1-73.8165.6000114.5S369 R370S369-L372 PolarHBondContact O-N 3.33Å; R370-L372 PolarHBondContact O-N 3.05Å
373C58.8Low52.2Low103 Ų103124.7 Ų124.770%0.69669%0.692SS**Hα-helixtrans-85.2-16.1-174.3-89.30000115.3R370R370-C373 PolarHBondContact O-N 3.3Å
374E57.1Low51.1Low174 Ų174123.6 Ų123.681%0.81371%0.705SS**SBendtrans-89-2.9-174.3-90.6-179.7157.400115.5
375A50.4Low50.2Low74 Ų74121.3 Ų121.361%0.61272%0.716SS**  trans-11090.6-176.700000112.7
376N50.2Low49.3Very low160 Ų160121.5 Ų121.586%0.85673%0.725SS**  trans-87.8-9.8-176.1-88.1-33.2000116.1
377K41Very low48.7Very low184 Ų184124.9 Ų124.980%0.874%0.741SS**  trans-164.9121.1165.5-148.5168.2-179.2175.70113.6
378V56.8Low48.1Very low118 Ų118124.1 Ų124.172%0.71574%0.744SS**  trans-115.8119.1169177.20000107.6
379T40.2Very low47.7Very low119 Ų119120.1 Ų120.173%0.7374%0.736SS**  trans-106.8109.5174.5330000110.1
380M52Low47.5Very low149 Ų149120.6 Ų120.673%0.73474%0.744SS**  trans-92.5132.3169-88.4-172.5-80.600110.1V388M380-V388 HydrophobicContact CE-CG1 3.74Å; M380-V388 HydrophobicContact SD-CG1 4.22Å
381V44.6Very low47Very low153 Ų153117 Ų11793%0.92775%0.747SS**  trans-104.6121.3172.1-157.80000107.7
382S45Very low47Very low89 Ų89119.9 Ų119.962%0.62275%0.749SS**  trans-122.7126.6-178.2-179.60000110.3
383S36.6Very low47.2Very low125 Ų125118.3 Ų118.387%0.87474%0.74SS**  trans-122.393.7165.470.60000109.5
384G32Very low47Very low77 Ų77116.9 Ų116.979%0.79473%0.731SS**SBendtrans99.8100.8156.800000117.3
385G36.4Very low47Very low88 Ų88110.5 Ų110.591%0.90771%0.712SS**SBendtrans105.341.3132.300000120.4
386G37.9Very low47.4Very low70 Ų70112.4 Ų112.472%0.72271%0.709SS**SBendtrans155.9142.3163.600000115
387E42.8Very low47.7Very low203 Ų203109 Ų10995%0.94969%0.694SS**  trans-32.3129.7-162.8-74.3174.4146.900119.8
388V50.3Low48.4Very low98 Ų98106.3 Ų106.359%0.59469%0.687SS**  trans-101.3118.8169.8178.70000108.1M380M380-V388 HydrophobicContact CE-CG1 3.74Å; M380-V388 HydrophobicContact SD-CG1 4.22Å
389G50.7Low48.3Very low52 Ų52105.1 Ų105.154%0.53667%0.674SS.*SBendtrans162.6159.3176.700000113.8A391G389-A391 PolarHBondContact O-N 3.34Å
390A51.3Low49.3Very low75 Ų75104.5 Ų104.562%0.6267%0.665SS**THydrogen-bonded Turntrans-46.7-11.3-165.300000119K392 L393 S394A390-K392 VanDerWaalsContact C-N 3.33Å; A390-K392 PolarHBondContact O-N 3.42Å; A390-L393 WeakPolarHBondContact O-CB 3.42Å; A390-L393 PolarHBondContact O-N 3.39Å; A390-S394 PolarHBondContact O-N 3.44Å; A390-S394 VanDerWaalsContact O-N 3.16Å; A390-S394 PolarHBondContact O-OG 2.92Å
391A48.8Very low49.4Very low81 Ų81104.3 Ų104.367%0.66966%0.664SS**Hα-helixtrans-63-32.5179.600000113.9G389 S394 G395G389-A391 PolarHBondContact O-N 3.34Å; A391-S394 WeakPolarHBondContact CA-OG 3.44Å; A391-S394 PolarHBondContact O-OG 2.98Å; A391-G395 PolarHBondContact O-N 2.92Å
392K55.3Low50.1Low171 Ų171101.5 Ų101.574%0.74365%0.647SS**Hα-helixtrans-70.9-36.8173.1-101.2-171.5176.1-179.20113A390 G395 E396A390-K392 VanDerWaalsContact C-N 3.33Å; A390-K392 PolarHBondContact O-N 3.42Å; K392-G395 PolarHBondContact O-N 3.43Å; K392-E396 PolarHBondContact O-N 3.1Å
393L53.5Low50.9Low121 Ų121104.5 Ų104.563%0.63465%0.645SS**Hα-helixtrans-64.4-43.8177-92.9149.8000111.4A390 G395 V397A390-L393 WeakPolarHBondContact O-CB 3.42Å; A390-L393 PolarHBondContact O-N 3.39Å; L393-G395 VanDerWaalsContact C-N 3.33Å; L393-G395 PolarHBondContact O-N 3Å; L393-V397 VanDerWaalsContact O-CG2 3.23Å; L393-V397 WeakPolarHBondContact O-CG2 3.31Å; L393-V397 PolarHBondContact O-N 3.42Å; L393-V397 VanDerWaalsContact O-N 3.08Å
394S54.6Low51.9Low73 Ų73103.1 Ų103.151%0.5163%0.627SS.*Hα-helixtrans-67.1-31.8175.741.30000113.3A390 A391 L398A390-S394 PolarHBondContact O-N 3.44Å; A390-S394 VanDerWaalsContact O-N 3.16Å; A390-S394 PolarHBondContact O-OG 2.92Å; A391-S394 WeakPolarHBondContact CA-OG 3.44Å; A391-S394 PolarHBondContact O-OG 2.98Å; S394-L398 PolarHBondContact O-N 3.46Å
395G57.8Low53.2Low40 Ų40103.5 Ų103.541%0.41262%0.616SS.*Hα-helixtrans-71-43.1175.500000113.1A391 K392 L393 L398 E399A391-G395 PolarHBondContact O-N 2.92Å; K392-G395 PolarHBondContact O-N 3.43Å; L393-G395 VanDerWaalsContact C-N 3.33Å; L393-G395 PolarHBondContact O-N 3Å; G395-L398 PolarHBondContact O-N 3.31Å; G395-E399 PolarHBondContact O-N 3.04Å
396E58.8Low54.2Low115 Ų115104.6 Ų104.654%0.53760%0.597SS.*Hα-helixtrans-67.6-34.7176.4-81.1177.4156.700112.3K392 E399 I400K392-E396 PolarHBondContact O-N 3.1Å; E396-E399 PolarHBondContact O-N 2.88Å; E396-I400 WeakPolarHBondContact O-CD1 3.42Å; E396-I400 WeakPolarHBondContact O-CG1 3.32Å; E396-I400 PolarHBondContact O-N 3.47Å
397V55.6Low55.2Low88 Ų88103.6 Ų103.653%0.53358%0.582SS.*Hα-helixtrans-67.6-38.7175.1172.80000111.6L393 E399 I400 M401L393-V397 VanDerWaalsContact O-CG2 3.23Å; L393-V397 WeakPolarHBondContact O-CG2 3.31Å; L393-V397 PolarHBondContact O-N 3.42Å; L393-V397 VanDerWaalsContact O-N 3.08Å; V397-E399 VanDerWaalsContact C-N 3.35Å; V397-I400 PolarHBondContact O-N 2.96Å; V397-M401 PolarHBondContact O-N 2.87Å
398L55.3Low56Low128 Ų12897 Ų9767%0.6756%0.556SS**Hα-helixtrans-66.4-38.8174.9-138.693.5000111.3S394 G395 M401 T402S394-L398 PolarHBondContact O-N 3.46Å; G395-L398 PolarHBondContact O-N 3.31Å; L398-M401 PolarHBondContact O-N 2.85Å; L398-T402 PolarHBondContact O-N 3.11Å; L398-T402 PolarHBondContact O-OG1 3.01Å; L398-T402 VanDerWaalsContact O-OG1 3.14Å
399E55.2Low56.6Low93 Ų9396.3 Ų96.344%0.43555%0.546SS..Hα-helixtrans-66-36.6177.1-153.6-175.9163.400111.9G395 E396 V397 T402 R403G395-E399 PolarHBondContact O-N 3.04Å; E396-E399 PolarHBondContact O-N 2.88Å; V397-E399 VanDerWaalsContact C-N 3.35Å; E399-T402 WeakPolarHBondContact CA-OG1 3.28Å; E399-T402 PolarHBondContact O-N 2.78Å; E399-T402 PolarHBondContact O-OG1 3.24Å; E399-R403 PolarHBondContact O-N 3.06Å; E399-R403 IonicContact OE1-CZ 3.23Å; E399-R403 IonicContact OE1-NH1 3.89Å; E399-R403 IonicContact OE1-NH2 2.72Å; E399-R403 PolarHBondContact OE1-NH2 2.92Å
400I60.7Low56.9Low106 Ų106102 Ų10254%0.54456%0.556SS.*Hα-helixtrans-69-40.5174.3-68.7164.3000111.3E396 V397 T402 R403 L404E396-I400 WeakPolarHBondContact O-CD1 3.42Å; E396-I400 WeakPolarHBondContact O-CG1 3.32Å; E396-I400 PolarHBondContact O-N 3.47Å; V397-I400 PolarHBondContact O-N 2.96Å; I400-T402 VanDerWaalsContact C-N 3.32Å; I400-T402 PolarHBondContact O-N 3.37Å; I400-R403 PolarHBondContact O-N 3.3Å; I400-L404 HydrophobicContact CG2-CD1 4.32Å; I400-L404 PolarHBondContact O-N 3.02Å; I400-L404 VanDerWaalsContact O-N 3.17Å
401M54.5Low56.8Low144 Ų144105.8 Ų105.871%0.70957%0.565SS**Hα-helixtrans-65.2-35175.9-106.7-161.3162.500112.7V397 L398 P405V397-M401 PolarHBondContact O-N 2.87Å; L398-M401 PolarHBondContact O-N 2.85Å; M401-P405 VanDerWaalsContact O-CD 3.26Å; M401-P405 WeakPolarHBondContact O-CD 3.4Å
402T59Low57.2Low94 Ų94106.2 Ų106.258%0.57756%0.559SS**Hα-helixtrans-72.8-25.2175.246.70000114L398 E399 I400L398-T402 PolarHBondContact O-N 3.11Å; L398-T402 PolarHBondContact O-OG1 3.01Å; L398-T402 VanDerWaalsContact O-OG1 3.14Å; E399-T402 WeakPolarHBondContact CA-OG1 3.28Å; E399-T402 PolarHBondContact O-N 2.78Å; E399-T402 PolarHBondContact O-OG1 3.24Å; I400-T402 VanDerWaalsContact C-N 3.32Å; I400-T402 PolarHBondContact O-N 3.37Å
403R61.8Low56.9Low153 Ų153101.5 Ų101.558%0.57756%0.559SS**Hα-helixtrans-87.5-17.9178.7-77.4-175179.3151.114.8114.3E399 I400 E406 A407E399-R403 PolarHBondContact O-N 3.06Å; E399-R403 IonicContact OE1-CZ 3.23Å; E399-R403 IonicContact OE1-NH1 3.89Å; E399-R403 IonicContact OE1-NH2 2.72Å; E399-R403 PolarHBondContact OE1-NH2 2.92Å; I400-R403 PolarHBondContact O-N 3.3Å; R403-E406 PolarHBondContact O-N 2.99Å; R403-A407 WeakPolarHBondContact O-CB 3.34Å; R403-A407 PolarHBondContact O-N 3Å
404L57.3Low57.5Low95 Ų95100.2 Ų100.250%0.49756%0.556SS.*Hα-helixtrans-62.4-42.9-178.5-115.6147.7000113.9I400 E406 A407 V408I400-L404 HydrophobicContact CG2-CD1 4.32Å; I400-L404 PolarHBondContact O-N 3.02Å; I400-L404 VanDerWaalsContact O-N 3.17Å; L404-E406 PolarHBondContact O-N 2.82Å; L404-A407 PolarHBondContact O-N 3.28Å; L404-V408 WeakPolarHBondContact O-CG2 3Å; L404-V408 PolarHBondContact O-N 3.22Å; L404-V408 VanDerWaalsContact O-N 3.16Å
405P58.9Low57.3Low85 Ų8599.7 Ų99.755%0.55255%0.547SS*.Hα-helixtrans-61.6-42.5175.3-23.333.6000112.7M401 A407 V408 E409M401-P405 VanDerWaalsContact O-CD 3.26Å; M401-P405 WeakPolarHBondContact O-CD 3.4Å; P405-A407 VanDerWaalsContact C-N 3.35Å; P405-A407 PolarHBondContact O-N 2.91Å; P405-V408 PolarHBondContact O-N 2.94Å; P405-E409 WeakPolarHBondContact O-CB 3.35Å; P405-E409 PolarHBondContact O-N 2.84Å; P405-E409 VanDerWaalsContact O-N 3.08Å
406E57.2Low57.4Low112 Ų112104.2 Ų104.252%0.52356%0.561SS.*Hα-helixtrans-68.3-31.3178.1-72.3-170165.800113.1R403 L404 K410R403-E406 PolarHBondContact O-N 2.99Å; L404-E406 PolarHBondContact O-N 2.82Å; E406-K410 WeakPolarHBondContact O-CB 3.41Å; E406-K410 WeakPolarHBondContact O-CG 3.43Å; E406-K410 PolarHBondContact O-N 2.99Å; E406-K410 VanDerWaalsContact O-N 3.07Å
407A60.8Low57.4Low48 Ų48103.1 Ų103.140%0.39757%0.566SS.*Hα-helixtrans-72.9-37.4178.500000112.3R403 L404 P405 L411R403-A407 WeakPolarHBondContact O-CB 3.34Å; R403-A407 PolarHBondContact O-N 3Å; L404-A407 PolarHBondContact O-N 3.28Å; P405-A407 VanDerWaalsContact C-N 3.35Å; P405-A407 PolarHBondContact O-N 2.91Å; A407-L411 WeakPolarHBondContact O-CB 3.44Å; A407-L411 PolarHBondContact O-N 2.93Å
408V59.7Low57Low66 Ų66106.4 Ų106.440%0.458%0.575SS.*Hα-helixtrans-70.9-38.5175.3175.80000110.7L404 P405 L411 T412L404-V408 WeakPolarHBondContact O-CG2 3Å; L404-V408 PolarHBondContact O-N 3.22Å; L404-V408 VanDerWaalsContact O-N 3.16Å; P405-V408 PolarHBondContact O-N 2.94Å; V408-L411 PolarHBondContact O-N 3.07Å; V408-T412 PolarHBondContact O-N 3.01Å; V408-T412 PolarHBondContact O-OG1 3.08Å
409E61.1Low56.8Low83 Ų83106.4 Ų106.439%0.38858%0.58SS.*Hα-helixtrans-63.5-42.9175.4-169177.6173.700112.2P405 L411 G413 N415P405-E409 WeakPolarHBondContact O-CB 3.35Å; P405-E409 PolarHBondContact O-N 2.84Å; P405-E409 VanDerWaalsContact O-N 3.08Å; E409-L411 VanDerWaalsContact C-N 3.31Å; E409-L411 PolarHBondContact O-N 2.94Å; E409-G413 PolarHBondContact O-N 3.04Å; E409-N415 PolarHBondContact OE1-ND2 3.15Å; E409-N415 PolarHBondContact OE2-ND2 3.03Å
410K57.1Low56.3Low172 Ų172108.2 Ų108.275%0.74860%0.598SS**Hα-helixtrans-68.8-23177.7-78.4173.4-179.51640114.4E406E406-K410 WeakPolarHBondContact O-CB 3.41Å; E406-K410 WeakPolarHBondContact O-CG 3.43Å; E406-K410 PolarHBondContact O-N 2.99Å; E406-K410 VanDerWaalsContact O-N 3.07Å
411L50.2Low55.2Low154 Ų154108.2 Ų108.281%0.80661%0.607SS**Hα-helixtrans-98.9-22.9-178.5-80.8166.2000114.3A407 V408 E409A407-L411 WeakPolarHBondContact O-CB 3.44Å; A407-L411 PolarHBondContact O-N 2.93Å; V408-L411 PolarHBondContact O-N 3.07Å; E409-L411 VanDerWaalsContact C-N 3.31Å; E409-L411 PolarHBondContact O-N 2.94Å
412T55.9Low54.1Low89 Ų89112.7 Ų112.755%0.54662%0.617SS.*Hα-helixtrans-123.6-8.9-173.263.30000114.5V408 V414V408-T412 PolarHBondContact O-N 3.01Å; V408-T412 PolarHBondContact O-OG1 3.08Å; T412-V414 PolarHBondContact O-N 3.45Å
413G50.8Low53.2Low72 Ų72115.6 Ų115.674%0.74263%0.634SS**  trans67.713174.700000115.1E409E409-G413 PolarHBondContact O-N 3.04Å
414V65.1Low51.9Low95 Ų95115.3 Ų115.358%0.57668%0.679SS**  trans-117.8122.4179.5-177.40000110T412T412-V414 PolarHBondContact O-N 3.45Å
415N51.5Low51.6Low61 Ų61116.3 Ų116.333%0.32669%0.688SS.*  trans-93.2112.6-178.4-167.5-54.2000110.4E409 S417E409-N415 PolarHBondContact OE1-ND2 3.15Å; E409-N415 PolarHBondContact OE2-ND2 3.03Å; N415-S417 PolarHBondContact O-N 3.36Å; N415-S417 VanDerWaalsContact OD1-CB 3.25Å; N415-S417 WeakPolarHBondContact OD1-CB 3.47Å; N415-S417 PolarHBondContact OD1-N 2.94Å; N415-S417 VanDerWaalsContact OD1-N 3.1Å; N415-S417 PolarHBondContact OD1-OG 3.35Å
416I58.4Low51.2Low135 Ų135117.9 Ų117.969%0.69270%0.695SS**G310 helixtrans-74.8-7.6-176.2-77.2167.4000113Q418I416-Q418 VanDerWaalsContact C-N 3.28Å; I416-Q418 PolarHBondContact O-N 3.24Å
417S58.3Low50.9Low92 Ų92118.3 Ų118.364%0.64370%0.704SS**G310 helixtrans-77.2-4.9-179.8-20.20000114.7N415N415-S417 PolarHBondContact O-N 3.36Å; N415-S417 VanDerWaalsContact OD1-CB 3.25Å; N415-S417 WeakPolarHBondContact OD1-CB 3.47Å; N415-S417 PolarHBondContact OD1-N 2.94Å; N415-S417 VanDerWaalsContact OD1-N 3.1Å; N415-S417 PolarHBondContact OD1-OG 3.35Å
418Q49.3Very low50.3Low157 Ų157122.4 Ų122.473%0.73472%0.722SS**G310 helixtrans-113.31.8-174.2-74.8-167.7-11.900115.8I416 T420I416-Q418 VanDerWaalsContact C-N 3.28Å; I416-Q418 PolarHBondContact O-N 3.24Å; Q418-T420 PolarHBondContact O-N 3.32Å
419V49Very low49.7Very low128 Ų128125.9 Ų125.978%0.77674%0.743SS**THydrogen-bonded Turntrans-79.1-4.5178.8-1780000112.8
420T44.7Very low49Very low131 Ų131128.8 Ų128.880%0.80477%0.766SS**THydrogen-bonded Turntrans-10514.9-175.937.10000116.3Q418Q418-T420 PolarHBondContact O-N 3.32Å
421S38.6Very low48.4Very low106 Ų106125.7 Ų125.774%0.74177%0.767SS**  trans-137.150.7176.4750000116
422R32.3Very low48.3Very low239 Ų239123.5 Ų123.590%0.90276%0.764SS**SBendtrans-129.262.9148.6-153.8177.7-172.1176.81.5109.5
423T39.6Very low47.6Very low155 Ų155126.4 Ų126.495%0.95178%0.783SS**  trans-147.679.4151.4-31.40000106.7
424G33.8Very low47.3Very low146 Ų146131.4 Ų131.4100%1.50579%0.786SS**  trans-170.10174.800000104.9

Retrieved 424 of 424 residues in 216.3 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).