A0A077YWN8_TRITR Loading...

Tau tubulin kinase 1

AlphaFold DB , UniProt , Accession A0A077YWN8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 326 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
1M33.6Very low49.6Very low247 Ų247138.5 Ų138.5100%1.21772%0.715SS**  0127.70-75.1170.8170.200108.9
2G34.3Very low52.8Low78 Ų78129.8 Ų129.880%0.80467%0.67SS**  trans-62.8135.2-157.500000115.5S4G2-S4 PolarHBondContact O-N 3.07Å
3K28.7Very low55.8Low210 Ų210130.3 Ų130.391%0.91366%0.664SS**  trans-52.6107.7164.3-74.2177.9176.3175.40107.8A5K3-A5 PolarHBondContact O-N 3.49Å
4S35.4Very low58.6Low117 Ų117127.9 Ų127.982%0.81866%0.662SS**  trans-59.2103.2172.7-162.40000107.1G2 K6G2-S4 PolarHBondContact O-N 3.07Å; S4-K6 PolarHBondContact O-N 3.1Å
5A37.8Very low61Low81 Ų81122.6 Ų122.667%0.66965%0.651SS**  trans-55.7109.9177.100000106.7K3 R7K3-A5 PolarHBondContact O-N 3.49Å; A5-R7 VanDerWaalsContact C-N 3.34Å; A5-R7 PolarHBondContact O-N 2.98Å
6K44.2Very low63.1Low203 Ų203119.7 Ų119.788%0.88363%0.632SS**  trans-49.6103.2176-82.5-176175.8179.30106.9S4 K8S4-K6 PolarHBondContact O-N 3.1Å; K6-K8 PolarHBondContact O-N 3.23Å
7R53.1Low64.9Low149 Ų149115.4 Ų115.456%0.56262%0.618SS**  trans-58.3113.5-175.8-81.4177.4171.6172.1-1.8106.6A5 L9A5-R7 VanDerWaalsContact C-N 3.34Å; A5-R7 PolarHBondContact O-N 2.98Å; R7-L9 PolarHBondContact O-N 2.9Å
8K59.1Low66.5Low181 Ų181109.1 Ų109.179%0.78758%0.584SS**  trans-64.2104.8179.9-79.8-175.1176.5-179.40108.2K6 N54K6-K8 PolarHBondContact O-N 3.23Å; K8-N54 PolarHBondContact O-ND2 2.9Å; K8-N54 VanDerWaalsContact O-ND2 3.14Å
9L67.2Low67.9Low70 Ų70110.5 Ų110.537%0.36658%0.58SS.*  trans-56.9147.2169.7-70.3165.9000109.4R7 K11 T30R7-L9 PolarHBondContact O-N 2.9Å; L9-K11 PolarHBondContact O-N 2.88Å; L9-T30 HydrophobicContact CD1-CG2 4.37Å
10P69.3Low69.2Low15 Ų15114.8 Ų114.810%0.09759%0.594CS.*  trans-51.3136.5165.8-22.734.2000109.5Y37 A52 M90P10-Y37 PolarHBondContact O-OH 2.93Å; P10-A52 HydrophobicContact CB-CB 4.11Å; P10-A52 HydrophobicContact CG-CB 4.13Å; P10-M90 HydrophobicContact CB-CG 4.24Å; P10-M90 HydrophobicContact CB-SD 3.83Å; P10-M90 HydrophobicContact CG-CG 4.14Å; P10-M90 HydrophobicContact CG-SD 4.35Å
11K82.5Confident70.5Confident173 Ų173111.5 Ų111.575%0.75257%0.574SS**  trans-125.365.5179.2-73.2-170.2177.8-171.90109.1L9L9-K11 PolarHBondContact O-N 2.88Å
12L89Confident73.5Confident33 Ų33100.5 Ų100.517%0.17352%0.519CS..PPolyproline II helixtrans-68.7136.6167.8-58.6171.6000109.2E16 I18 V24 Y37 M90L12-E16 WeakPolarHBondContact CA-OE2 3.33Å; L12-I18 HydrophobicContact CD1-CD1 3.71Å; L12-I18 HydrophobicContact CD1-CG1 3.91Å; L12-V24 HydrophobicContact CB-CG2 3.85Å; L12-V24 HydrophobicContact CD1-CG2 3.99Å; L12-V24 HydrophobicContact CG-CG2 4.49Å; L12-Y37 HydrophobicContact CB-CD1 4.4Å; L12-Y37 HydrophobicContact CB-CE1 3.93Å; L12-Y37 HydrophobicContact CB-CE2 4.37Å; L12-Y37 HydrophobicContact CD1-CD2 4.14Å; L12-Y37 HydrophobicContact CD1-CE2 4.04Å; L12-Y37 HydrophobicContact CG-CE2 4.4Å; L12-Y37 PolarHBondContact N-OH 3.03Å; L12-Y37 WeakPolarHBondContact O-CE1 3.41Å; L12-M90 HydrophobicContact CD1-CE 4.02Å; L12-M90 HydrophobicContact CD1-SD 3.93Å; L12-M90 HydrophobicContact CD2-CE 4.22Å; L12-M90 HydrophobicContact CD2-SD 4.2Å; L12-M90 HydrophobicContact CG-SD 4.13Å
13K91.9Very high76.6Confident137 Ų137100.3 Ų100.360%0.59650%0.497SS*.PPolyproline II helixtrans-102.3153.9178.1-61178.4-175.4174.90111G15 E16 V24K13-G15 PolarHBondContact O-N 3.02Å; K13-E16 HydrophobicContact CB-CG 4.16Å; K13-E16 WeakPolarHBondContact CB-OE1 3.12Å; K13-E16 WeakPolarHBondContact CG-OE1 3.25Å; K13-E16 PolarHBondContact N-OE2 2.89Å; K13-E16 VanDerWaalsContact N-OE2 3.16Å; K13-E16 WeakPolarHBondContact O-CB 3.49Å; K13-E16 PolarHBondContact O-N 3.1Å; K13-V24 WeakPolarHBondContact O-CB 3.38Å
14P94.8Very high79.9Confident97 Ų9790.4 Ų90.463%0.6345%0.454SS*.THydrogen-bonded Turntrans-49.2134.8168.4-27.436.3000111.9E16 V24 V25P14-E16 VanDerWaalsContact C-N 3.33Å; P14-V24 CarbonylContact C-O 3.55Å; P14-V24 VanDerWaalsContact CA-O 3.26Å; P14-V24 WeakPolarHBondContact CA-O 3.42Å; P14-V25 WeakPolarHBondContact CB-O 3.4Å
15G93.8Very high82.8Confident48 Ų4887.5 Ų87.550%0.49543%0.431SS..THydrogen-bonded Turntrans85.4-13.3-176.300000115.5K13 V24K13-G15 PolarHBondContact O-N 3.02Å; G15-V24 PolarHBondContact N-O 3.08Å
16E94.6Very high85.6Confident76 Ų7687.2 Ų87.236%0.35542%0.415SS..  trans-73.6139.3171.1-68.5177-169.500110.3L12 K13 P14 V24L12-E16 WeakPolarHBondContact CA-OE2 3.33Å; K13-E16 HydrophobicContact CB-CG 4.16Å; K13-E16 WeakPolarHBondContact CB-OE1 3.12Å; K13-E16 WeakPolarHBondContact CG-OE1 3.25Å; K13-E16 PolarHBondContact N-OE2 2.89Å; K13-E16 VanDerWaalsContact N-OE2 3.16Å; K13-E16 WeakPolarHBondContact O-CB 3.49Å; K13-E16 PolarHBondContact O-N 3.1Å; P14-E16 VanDerWaalsContact C-N 3.33Å; E16-V24 WeakPolarHBondContact O-CG2 3.37Å; E16-V24 PolarHBondContact O-N 3.46Å
17A93.9Very high87.9Confident47 Ų4784.8 Ų84.839%0.38840%0.4SS..EExtended strand (participates in β ladder)trans-110126.3179.800000112.4W22A17-W22 WeakPolarHBondContact CA-O 3.33Å
18I94.1Very high89.7Confident1 Ų181.2 Ų81.21%0.00539%0.392CS..EExtended strand (participates in β ladder)trans-74.2126.7167.5-54.8171000107.6L12 K20 R21 W22 A50 M90 Y92L12-I18 HydrophobicContact CD1-CD1 3.71Å; L12-I18 HydrophobicContact CD1-CG1 3.91Å; I18-K20 PolarHBondContact O-N 2.73Å; I18-K20 VanDerWaalsContact O-N 3.08Å; I18-R21 PolarHBondContact O-N 2.86Å; I18-W22 HydrophobicContact CB-CB 4.38Å; I18-W22 HydrophobicContact CB-CE3 4.3Å; I18-W22 HydrophobicContact CG2-CE3 4.15Å; I18-W22 PolarHBondContact N-O 3.27Å; I18-W22 PolarHBondContact O-N 2.83Å; I18-W22 VanDerWaalsContact O-N 3.1Å; I18-A50 HydrophobicContact CD1-CB 3.9Å; I18-M90 HydrophobicContact CD1-CE 4.36Å; I18-M90 HydrophobicContact CG1-CE 4.32Å; I18-Y92 HydrophobicContact CG2-CD1 3.75Å; I18-Y92 HydrophobicContact CG2-CD2 3.97Å; I18-Y92 HydrophobicContact CG2-CE1 3.77Å; I18-Y92 HydrophobicContact CG2-CE2 4Å; I18-Y92 HydrophobicContact CG2-CG 3.87Å
19R93.9Very high91Very high136 Ų13674 Ų7451%0.51337%0.37SS..THydrogen-bonded Turntrans50.929.5-177.3-68.4-68.7-171159-8.8114.7R21 W22 T86 E87 Y92R19-R21 PolarHBondContact O-N 3.47Å; R19-W22 HydrophobicContact CB-CE3 4.35Å; R19-W22 HydrophobicContact CB-CZ3 4.09Å; R19-W22 HydrophobicContact CG-CZ3 4.24Å; R19-T86 PolarHBondContact NH2-O 2.83Å; R19-E87 PolarHBondContact N-OE2 3.45Å; R19-Y92 HydrophobicContact CG-CE1 4.27Å; R19-Y92 WeakPolarHBondContact CG-OH 3.5Å; R19-Y92 PolarHBondContact NE-OH 3.49Å
20K92.7Very high91.6Very high197 Ų19774.8 Ų74.886%0.85738%0.377SS*.THydrogen-bonded Turntrans55.816.9-174.8-54.1179.8177.9-179.30114.5I18I18-K20 PolarHBondContact O-N 2.73Å; I18-K20 VanDerWaalsContact O-N 3.08Å
21R96.6Very high91.5Very high45 Ų4576.3 Ų76.317%0.1740%0.396CS..THydrogen-bonded Turntrans-120-53.7-176.6177.2-179.4172.2153.83.1112.2I18 R19 E23 D41 N42 E43I18-R21 PolarHBondContact O-N 2.86Å; R19-R21 PolarHBondContact O-N 3.47Å; R21-E23 PolarHBondContact O-N 2.75Å; R21-D41 IonicContact CZ-OD1 3.04Å; R21-D41 IonicContact CZ-OD2 2.75Å; R21-D41 IonicContact NE-OD1 3.25Å; R21-D41 PolarHBondContact NE-OD1 2.92Å; R21-D41 IonicContact NE-OD2 2.98Å; R21-D41 PolarHBondContact NE-OD2 3.11Å; R21-D41 IonicContact NH2-OD1 3.81Å; R21-D41 PolarHBondContact NH2-OD1 3.14Å; R21-D41 IonicContact NH2-OD2 3.83Å; R21-D41 PolarHBondContact NH2-OD2 3.16Å; R21-N42 WeakPolarHBondContact O-CB 3.45Å; R21-N42 PolarHBondContact O-N 3.5Å; R21-N42 PolarHBondContact O-ND2 2.88Å; R21-N42 VanDerWaalsContact O-ND2 3.08Å; R21-E43 WeakPolarHBondContact CD-OE1 3.46Å; R21-E43 HydrophobicContact CG-CG 4.28Å; R21-E43 VanDerWaalsContact CZ-CD 3.47Å; R21-E43 IonicContact CZ-OE1 2.75Å; R21-E43 IonicContact CZ-OE2 3.79Å; R21-E43 IonicContact NE-OE1 3.44Å; R21-E43 IonicContact NE-OE2 2.77Å; R21-E43 IonicContact NH1-OE1 3.29Å; R21-E43 PolarHBondContact NH1-OE1 3.06Å; R21-E43 IonicContact NH1-OE2 3.71Å; R21-E43 PolarHBondContact NH1-OE2 3.34Å; R21-E43 IonicContact NH2-OE2 3.68Å; R21-E43 PolarHBondContact NH2-OE2 2.86Å
22W97.7Very high90.5Very high16 Ų1671.6 Ų71.66%0.06140%0.396CS..EExtended strand (participates in β ladder)trans-96.397.9-174.7-57.9-69.7000109.9A17 I18 R19 V39 W40 D41 Y92 V94A17-W22 WeakPolarHBondContact CA-O 3.33Å; I18-W22 HydrophobicContact CB-CB 4.38Å; I18-W22 HydrophobicContact CB-CE3 4.3Å; I18-W22 HydrophobicContact CG2-CE3 4.15Å; I18-W22 PolarHBondContact N-O 3.27Å; I18-W22 PolarHBondContact O-N 2.83Å; I18-W22 VanDerWaalsContact O-N 3.1Å; R19-W22 HydrophobicContact CB-CE3 4.35Å; R19-W22 HydrophobicContact CB-CZ3 4.09Å; R19-W22 HydrophobicContact CG-CZ3 4.24Å; W22-V39 HydrophobicContact CB-CB 4.05Å; W22-V39 HydrophobicContact CB-CG2 3.89Å; W22-V39 HydrophobicContact CG-CG2 4.36Å; W22-W40 WeakPolarHBondContact CA-O 3.34Å; W22-D41 PolarHBondContact NE1-OD2 3.29Å; W22-Y92 HydrophobicContact CE3-CE2 4.37Å; W22-Y92 HydrophobicContact CH2-CE2 4.45Å; W22-Y92 AromaticContact CZ3-CE2 3.75Å; W22-Y92 HydrophobicContact CZ3-CE2 3.75Å; W22-V94 HydrophobicContact CD2-CB 4.42Å; W22-V94 HydrophobicContact CD2-CG1 4.29Å; W22-V94 HydrophobicContact CD2-CG2 3.74Å; W22-V94 HydrophobicContact CE3-CG2 3.87Å; W22-V94 HydrophobicContact CG-CG1 4.19Å; W22-V94 HydrophobicContact CG-CG2 4.16Å; W22-V94 HydrophobicContact CH2-CG2 4.41Å; W22-V94 HydrophobicContact CZ2-CB 4.42Å; W22-V94 HydrophobicContact CZ2-CG2 4.31Å; W22-V94 HydrophobicContact CZ3-CG2 4.2Å
23E98Very high89.3Confident75 Ų7574.6 Ų74.635%0.3541%0.408SS..EExtended strand (participates in β ladder)trans-79.3126.9-178.9-174.1179.4158.500110.5R21 V25 V39 W40R21-E23 PolarHBondContact O-N 2.75Å; E23-V25 PolarHBondContact O-N 3.49Å; E23-V39 CarbonylContact O-C 3.55Å; E23-V39 WeakPolarHBondContact O-CA 3.35Å; E23-V39 WeakPolarHBondContact O-CB 3.35Å; E23-W40 PolarHBondContact N-O 2.84Å; E23-W40 PolarHBondContact O-N 3.34Å
24V97.4Very high88.8Confident2 Ų268.4 Ų68.41%0.01238%0.383CS..EExtended strand (participates in β ladder)trans-69.8123.7179.31770000110.1L12 K13 P14 G15 E16 Y37 V39L12-V24 HydrophobicContact CB-CG2 3.85Å; L12-V24 HydrophobicContact CD1-CG2 3.99Å; L12-V24 HydrophobicContact CG-CG2 4.49Å; K13-V24 WeakPolarHBondContact O-CB 3.38Å; P14-V24 CarbonylContact C-O 3.55Å; P14-V24 VanDerWaalsContact CA-O 3.26Å; P14-V24 WeakPolarHBondContact CA-O 3.42Å; G15-V24 PolarHBondContact N-O 3.08Å; E16-V24 WeakPolarHBondContact O-CG2 3.37Å; E16-V24 PolarHBondContact O-N 3.46Å; V24-Y37 HydrophobicContact CG1-CD1 3.77Å; V24-Y37 HydrophobicContact CG1-CG 4.37Å; V24-V39 HydrophobicContact CG2-CG1 4.17Å
25V97.6Very high88.6Confident56 Ų5663.9 Ų63.934%0.33935%0.353SS..EExtended strand (participates in β ladder)trans-89.8-55.2174.4179.20000109.4P14 E23 E38 W40P14-V25 WeakPolarHBondContact CB-O 3.4Å; E23-V25 PolarHBondContact O-N 3.49Å; V25-E38 HydrophobicContact CB-CB 4.36Å; V25-E38 HydrophobicContact CB-CG 4.14Å; V25-E38 HydrophobicContact CG2-CG 4.43Å; V25-E38 PolarHBondContact N-O 3.21Å; V25-W40 HydrophobicContact CG2-CB 4.06Å
26K95.6Very high88.6Confident75 Ų7563.5 Ų63.533%0.32634%0.341SS..EExtended strand (participates in β ladder)trans-160.8165.117963.4-177.9173.3-163.60111.1Y37 E38K26-Y37 CarbonylContact O-C 3.51Å; K26-Y37 WeakPolarHBondContact O-CA 3.45Å; K26-E38 WeakPolarHBondContact CE-OE2 3.45Å; K26-E38 HydrophobicContact CG-CB 4.04Å; K26-E38 PolarHBondContact N-O 3.2Å; K26-E38 IonicContact NZ-OE2 2.79Å; K26-E38 PolarHBondContact NZ-OE2 3.04Å; K26-E38 PolarHBondContact O-N 3.35Å
27R94.1Very high88.6Confident152 Ų15260 Ų6057%0.57433%0.325SS*.EExtended strand (participates in β ladder)trans-82.7132.3169.6-169.917264.1-154.7-1.8109.9Y37R27-Y37 HydrophobicContact CB-CD1 3.93Å; R27-Y37 HydrophobicContact CB-CE1 3.91Å; R27-Y37 HydrophobicContact CG-CD1 4.17Å; R27-Y37 HydrophobicContact CG-CE1 3.96Å
28L90.8Very high88.8Confident73 Ų7358.2 Ų58.238%0.38231%0.308SS..EExtended strand (participates in β ladder)trans-93-39.7177.7-64.8174.8000111.8V36 E38 L97L28-V36 HydrophobicContact CB-CG1 4.46Å; L28-V36 HydrophobicContact CD1-CG1 4.24Å; L28-V36 PolarHBondContact N-O 2.97Å; L28-E38 HydrophobicContact CD1-CB 4.01Å; L28-E38 HydrophobicContact CD2-CB 4Å; L28-E38 HydrophobicContact CG-CB 3.97Å; L28-L97 HydrophobicContact CD1-CD1 3.52Å
29G85.4Confident89Confident31 Ų3158.1 Ų58.132%0.3231%0.308SS..EExtended strand (participates in β ladder)trans-167.4167.8-177.700000113.2A35 V36G29-A35 WeakPolarHBondContact O-CA 3.37Å; G29-V36 PolarHBondContact N-O 3.06Å; G29-V36 PolarHBondContact O-N 3.23Å
30T79.1Confident89.2Confident86 Ų8655.1 Ų55.153%0.52830%0.297SS..EExtended strand (participates in β ladder)trans-128.712617551.10000109.1L9 A35L9-T30 HydrophobicContact CD1-CG2 4.37Å; T30-A35 HydrophobicContact CG2-CB 4.28Å
31G67.2Low89.4Confident47 Ų4745.7 Ų45.749%0.48526%0.256SS..  trans-108.6177.8172.300000111.6F33 G34G31-F33 PolarHBondContact O-N 2.76Å; G31-F33 VanDerWaalsContact O-N 3.12Å; G31-G34 PolarHBondContact N-O 2.95Å; G31-G34 PolarHBondContact O-N 3.27Å; G31-G34 VanDerWaalsContact O-O 3.11Å
32G62.3Low89.4Confident73 Ų7346 Ų4675%0.75326%0.261SS*.SBendtrans-60.8-22.6-178.600000114.9
33F64.4Low89.3Confident97 Ų9751.4 Ų51.443%0.42529%0.287SS..SBendtrans-112.5-12.8-175.7-57.4-77.5000114.3G31 V53 T61G31-F33 PolarHBondContact O-N 2.76Å; G31-F33 VanDerWaalsContact O-N 3.12Å; F33-V53 HydrophobicContact CB-CG1 4.46Å; F33-V53 WeakPolarHBondContact O-CB 3.38Å; F33-V53 VanDerWaalsContact O-CG1 3.3Å; F33-V53 WeakPolarHBondContact O-CG1 3.42Å; F33-T61 HydrophobicContact CD2-CG2 4.42Å; F33-T61 HydrophobicContact CG-CG2 4.46Å
34G81.9Confident89.2Confident7 Ų753.2 Ų53.27%0.07229%0.293CS..EExtended strand (participates in β ladder)trans-177.2-170-170.200000114.6G31 A52G31-G34 PolarHBondContact N-O 2.95Å; G31-G34 PolarHBondContact O-N 3.27Å; G31-G34 VanDerWaalsContact O-O 3.11Å; G34-A52 CarbonylContact C-O 3.56Å; G34-A52 WeakPolarHBondContact CA-O 3.46Å
35A89.7Confident89.1Confident1 Ų159 Ų591%0.00832%0.318CS..EExtended strand (participates in β ladder)trans-128148176.700000109.9G29 T30 Y37 A52G29-A35 WeakPolarHBondContact O-CA 3.37Å; T30-A35 HydrophobicContact CG2-CB 4.28Å; A35-Y37 HydrophobicContact CB-CD2 4.38Å; A35-Y37 HydrophobicContact CB-CE2 3.53Å; A35-A52 PolarHBondContact N-O 2.95Å; A35-A52 PolarHBondContact O-N 2.75Å
36V92.8Very high89Confident41 Ų4159 Ų5925%0.24832%0.319CS..EExtended strand (participates in β ladder)trans-108.6133.6173.9-174.20000107.9L28 G29 A49 A50 K51L28-V36 HydrophobicContact CB-CG1 4.46Å; L28-V36 HydrophobicContact CD1-CG1 4.24Å; L28-V36 PolarHBondContact N-O 2.97Å; G29-V36 PolarHBondContact N-O 3.06Å; G29-V36 PolarHBondContact O-N 3.23Å; V36-A49 HydrophobicContact CG1-CB 4.37Å; V36-A50 WeakPolarHBondContact CA-O 3.45Å; V36-K51 HydrophobicContact CG2-CB 4.37Å; V36-K51 HydrophobicContact CG2-CG 4.08Å
37Y95.7Very high89.1Confident2 Ų257.7 Ų57.71%0.00831%0.313CS..EExtended strand (participates in β ladder)trans-121.4145.6-178.9-60.4-92.3000110P10 L12 V24 K26 R27 A35 A49 A50 A52P10-Y37 PolarHBondContact O-OH 2.93Å; L12-Y37 HydrophobicContact CB-CD1 4.4Å; L12-Y37 HydrophobicContact CB-CE1 3.93Å; L12-Y37 HydrophobicContact CB-CE2 4.37Å; L12-Y37 HydrophobicContact CD1-CD2 4.14Å; L12-Y37 HydrophobicContact CD1-CE2 4.04Å; L12-Y37 HydrophobicContact CG-CE2 4.4Å; L12-Y37 PolarHBondContact N-OH 3.03Å; L12-Y37 WeakPolarHBondContact O-CE1 3.41Å; V24-Y37 HydrophobicContact CG1-CD1 3.77Å; V24-Y37 HydrophobicContact CG1-CG 4.37Å; K26-Y37 CarbonylContact O-C 3.51Å; K26-Y37 WeakPolarHBondContact O-CA 3.45Å; R27-Y37 HydrophobicContact CB-CD1 3.93Å; R27-Y37 HydrophobicContact CB-CE1 3.91Å; R27-Y37 HydrophobicContact CG-CD1 4.17Å; R27-Y37 HydrophobicContact CG-CE1 3.96Å; A35-Y37 HydrophobicContact CB-CD2 4.38Å; A35-Y37 HydrophobicContact CB-CE2 3.53Å; Y37-A49 CarbonylContact O-C 3.52Å; Y37-A49 WeakPolarHBondContact O-CA 3.16Å; Y37-A50 PolarHBondContact N-O 2.85Å; Y37-A50 PolarHBondContact O-N 3.39Å; Y37-A52 HydrophobicContact CD2-CB 4.38Å; Y37-A52 HydrophobicContact CE2-CB 4.08Å
38E97.4Very high89.3Confident9 Ų950.6 Ų50.64%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-79.8130.2159.3-178.6171147.500107.6V25 K26 L28 H47 L48 L97V25-E38 HydrophobicContact CB-CB 4.36Å; V25-E38 HydrophobicContact CB-CG 4.14Å; V25-E38 HydrophobicContact CG2-CG 4.43Å; V25-E38 PolarHBondContact N-O 3.21Å; K26-E38 WeakPolarHBondContact CE-OE2 3.45Å; K26-E38 HydrophobicContact CG-CB 4.04Å; K26-E38 PolarHBondContact N-O 3.2Å; K26-E38 IonicContact NZ-OE2 2.79Å; K26-E38 PolarHBondContact NZ-OE2 3.04Å; K26-E38 PolarHBondContact O-N 3.35Å; L28-E38 HydrophobicContact CD1-CB 4.01Å; L28-E38 HydrophobicContact CD2-CB 4Å; L28-E38 HydrophobicContact CG-CB 3.97Å; E38-H47 IonicContact OE1-CE1 2.77Å; E38-H47 PolarHBondContact OE1-CE1 2.78Å; E38-H47 VanDerWaalsContact OE1-CE1 3.25Å; E38-H47 IonicContact OE1-CG 2.95Å; E38-H47 IonicContact OE1-ND1 3.46Å; E38-H47 PolarHBondContact OE1-ND1 3.25Å; E38-L48 WeakPolarHBondContact CA-O 3.34Å; E38-L97 HydrophobicContact CG-CD2 3.75Å
39V98.2Very high89.6Confident0 Ų047.4 Ų47.40%027%0.271CS..EExtended strand (participates in β ladder)trans-128.6145.9179.1-56.80000110.7W22 E23 V24 H47 L48 A50 V94W22-V39 HydrophobicContact CB-CB 4.05Å; W22-V39 HydrophobicContact CB-CG2 3.89Å; W22-V39 HydrophobicContact CG-CG2 4.36Å; E23-V39 CarbonylContact O-C 3.55Å; E23-V39 WeakPolarHBondContact O-CA 3.35Å; E23-V39 WeakPolarHBondContact O-CB 3.35Å; V24-V39 HydrophobicContact CG2-CG1 4.17Å; V39-H47 CarbonylContact O-C 3.58Å; V39-H47 WeakPolarHBondContact O-CA 3.45Å; V39-L48 HydrophobicContact CG2-CB 3.81Å; V39-L48 PolarHBondContact N-O 3.06Å; V39-L48 PolarHBondContact O-N 3.33Å; V39-A50 HydrophobicContact CB-CB 4.49Å; V39-A50 HydrophobicContact CG1-CB 3.51Å; V39-A50 HydrophobicContact CG2-CB 4.09Å; V39-V94 HydrophobicContact CG2-CG1 4.27Å
40W98.2Very high90.1Very high72 Ų7245.9 Ų45.927%0.27326%0.256SS..EExtended strand (participates in β ladder)trans-93.1122170.3179.6-109.7000109.3W22 E23 V25 N42 K45 H47W22-W40 WeakPolarHBondContact CA-O 3.34Å; E23-W40 PolarHBondContact N-O 2.84Å; E23-W40 PolarHBondContact O-N 3.34Å; V25-W40 HydrophobicContact CG2-CB 4.06Å; W40-N42 PolarHBondContact O-N 3.08Å; W40-K45 HydrophobicContact CH2-CB 4.1Å; W40-K45 WeakPolarHBondContact CH2-O 3.24Å; W40-K45 VanDerWaalsContact CZ2-CA 3.5Å; W40-K45 HydrophobicContact CZ2-CB 3.76Å; W40-K45 HydrophobicContact CZ2-CD 3.93Å; W40-K45 HydrophobicContact CZ2-CG 4.44Å; W40-H47 AromaticContact CE3-CD2 3.49Å; W40-H47 VanDerWaalsContact CE3-CD2 3.49Å; W40-H47 AromaticContact CE3-CE1 3.97Å; W40-H47 AromaticContact CE3-CG 3.99Å; W40-H47 AromaticContact CE3-NE2 3.46Å; W40-H47 AromaticContact CZ3-CD2 3.47Å; W40-H47 VanDerWaalsContact CZ3-CD2 3.47Å; W40-H47 WeakPolarHBondContact CZ3-CD2 3.4Å; W40-H47 AromaticContact CZ3-NE2 3.6Å
41D98.1Very high90.8Very high0 Ų043 Ų430%024%0.236CC..EExtended strand (participates in β ladder)trans-79.4107172.3-170.8-24.6000109.6R21 W22 E43 K44 K45 V46 L48R21-D41 IonicContact CZ-OD1 3.04Å; R21-D41 IonicContact CZ-OD2 2.75Å; R21-D41 IonicContact NE-OD1 3.25Å; R21-D41 PolarHBondContact NE-OD1 2.92Å; R21-D41 IonicContact NE-OD2 2.98Å; R21-D41 PolarHBondContact NE-OD2 3.11Å; R21-D41 IonicContact NH2-OD1 3.81Å; R21-D41 PolarHBondContact NH2-OD1 3.14Å; R21-D41 IonicContact NH2-OD2 3.83Å; R21-D41 PolarHBondContact NH2-OD2 3.16Å; W22-D41 PolarHBondContact NE1-OD2 3.29Å; D41-E43 PolarHBondContact O-N 3.34Å; D41-E43 WeakPolarHBondContact OD1-CB 3.28Å; D41-E43 PolarHBondContact OD1-N 3.46Å; D41-K44 HydrophobicContact CB-CB 4.24Å; D41-K44 PolarHBondContact O-N 3.09Å; D41-K44 PolarHBondContact OD1-N 2.94Å; D41-K45 VanDerWaalsContact O-CA 3.29Å; D41-K45 WeakPolarHBondContact O-CA 3.34Å; D41-K45 PolarHBondContact O-N 2.92Å; D41-V46 HydrophobicContact CB-CG2 4.26Å; D41-V46 PolarHBondContact N-O 3.38Å; D41-L48 HydrophobicContact CB-CD1 3.79Å; D41-L48 HydrophobicContact CB-CG 4.41Å
42N95.4Very high92Very high52 Ų5240.8 Ų40.828%0.27821%0.213SC..THydrogen-bonded Turntrans-64.1-21.4-178.3-81.5-54.2000114.4R21 W40 K45R21-N42 WeakPolarHBondContact O-CB 3.45Å; R21-N42 PolarHBondContact O-N 3.5Å; R21-N42 PolarHBondContact O-ND2 2.88Å; R21-N42 VanDerWaalsContact O-ND2 3.08Å; W40-N42 PolarHBondContact O-N 3.08Å; N42-K45 WeakPolarHBondContact O-CD 3.5Å; N42-K45 WeakPolarHBondContact O-CE 3.16Å; N42-K45 PolarHBondContact O-NZ 3.05Å
43E96Very high93.2Very high129 Ų12938 Ų3860%0.60318%0.181SC*.THydrogen-bonded Turntrans-86.7-51.8176.7-67.6175.3-157.200111.1R21 D41R21-E43 WeakPolarHBondContact CD-OE1 3.46Å; R21-E43 HydrophobicContact CG-CG 4.28Å; R21-E43 VanDerWaalsContact CZ-CD 3.47Å; R21-E43 IonicContact CZ-OE1 2.75Å; R21-E43 IonicContact CZ-OE2 3.79Å; R21-E43 IonicContact NE-OE1 3.44Å; R21-E43 IonicContact NE-OE2 2.77Å; R21-E43 IonicContact NH1-OE1 3.29Å; R21-E43 PolarHBondContact NH1-OE1 3.06Å; R21-E43 IonicContact NH1-OE2 3.71Å; R21-E43 PolarHBondContact NH1-OE2 3.34Å; R21-E43 IonicContact NH2-OE2 3.68Å; R21-E43 PolarHBondContact NH2-OE2 2.86Å; D41-E43 PolarHBondContact O-N 3.34Å; D41-E43 WeakPolarHBondContact OD1-CB 3.28Å; D41-E43 PolarHBondContact OD1-N 3.46Å
44K95.5Very high94.2Very high112 Ų11235.6 Ų35.649%0.48717%0.173SC..THydrogen-bonded Turntrans-84.3-11.7-174.7-68.2-174.4177.8-173.90114.1D41 V46 Y82D41-K44 HydrophobicContact CB-CB 4.24Å; D41-K44 PolarHBondContact O-N 3.09Å; D41-K44 PolarHBondContact OD1-N 2.94Å; K44-V46 HydrophobicContact CB-CG2 3.82Å; K44-V46 PolarHBondContact O-N 2.79Å; K44-Y82 HydrophobicContact CD-CD1 3.72Å; K44-Y82 HydrophobicContact CD-CE1 3.43Å; K44-Y82 VanDerWaalsContact CD-CE1 3.43Å; K44-Y82 VanDerWaalsContact NZ-CD1 3.29Å
45K96Very high94.1Very high123 Ų12338.2 Ų38.254%0.53519%0.187SC..THydrogen-bonded Turntrans55.248.1-178.6-53.5-55.9-171.8-169.50112.8W40 D41 N42W40-K45 HydrophobicContact CH2-CB 4.1Å; W40-K45 WeakPolarHBondContact CH2-O 3.24Å; W40-K45 VanDerWaalsContact CZ2-CA 3.5Å; W40-K45 HydrophobicContact CZ2-CB 3.76Å; W40-K45 HydrophobicContact CZ2-CD 3.93Å; W40-K45 HydrophobicContact CZ2-CG 4.44Å; D41-K45 VanDerWaalsContact O-CA 3.29Å; D41-K45 WeakPolarHBondContact O-CA 3.34Å; D41-K45 PolarHBondContact O-N 2.92Å; N42-K45 WeakPolarHBondContact O-CD 3.5Å; N42-K45 WeakPolarHBondContact O-CE 3.16Å; N42-K45 PolarHBondContact O-NZ 3.05Å
46V96.2Very high93.4Very high57 Ų5746.1 Ų46.135%0.34522%0.222SC..EExtended strand (participates in β ladder)trans-138.3151.3179.6-66.90000111.3D41 K44 L48D41-V46 HydrophobicContact CB-CG2 4.26Å; D41-V46 PolarHBondContact N-O 3.38Å; K44-V46 HydrophobicContact CB-CG2 3.82Å; K44-V46 PolarHBondContact O-N 2.79Å; V46-L48 HydrophobicContact CG2-CD2 4.11Å; V46-L48 HydrophobicContact CG2-CG 4.21Å
47H97.6Very high92.2Very high47 Ų4745.2 Ų45.222%0.21822%0.218CC..EExtended strand (participates in β ladder)trans-77.5132.1170.5-73.7-95.4000111.1E38 V39 W40 L97 E315E38-H47 IonicContact OE1-CE1 2.77Å; E38-H47 PolarHBondContact OE1-CE1 2.78Å; E38-H47 VanDerWaalsContact OE1-CE1 3.25Å; E38-H47 IonicContact OE1-CG 2.95Å; E38-H47 IonicContact OE1-ND1 3.46Å; E38-H47 PolarHBondContact OE1-ND1 3.25Å; V39-H47 CarbonylContact O-C 3.58Å; V39-H47 WeakPolarHBondContact O-CA 3.45Å; W40-H47 AromaticContact CE3-CD2 3.49Å; W40-H47 VanDerWaalsContact CE3-CD2 3.49Å; W40-H47 AromaticContact CE3-CE1 3.97Å; W40-H47 AromaticContact CE3-CG 3.99Å; W40-H47 AromaticContact CE3-NE2 3.46Å; W40-H47 AromaticContact CZ3-CD2 3.47Å; W40-H47 VanDerWaalsContact CZ3-CD2 3.47Å; W40-H47 WeakPolarHBondContact CZ3-CD2 3.4Å; W40-H47 AromaticContact CZ3-NE2 3.6Å; H47-L97 HydrophobicContact CB-CD2 3.81Å; H47-E315 IonicContact CD2-OE1 3.63Å; H47-E315 IonicContact CD2-OE2 3.49Å; H47-E315 PolarHBondContact CD2-OE2 2.89Å; H47-E315 IonicContact NE2-OE1 2.84Å; H47-E315 IonicContact NE2-OE2 3.58Å
48L98Very high90.3Very high3 Ų353.3 Ų53.32%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-129.4167.1179.2-60.4176.3000110.6E38 V39 D41 V46 Y82 V94 M95E38-L48 WeakPolarHBondContact CA-O 3.34Å; V39-L48 HydrophobicContact CG2-CB 3.81Å; V39-L48 PolarHBondContact N-O 3.06Å; V39-L48 PolarHBondContact O-N 3.33Å; D41-L48 HydrophobicContact CB-CD1 3.79Å; D41-L48 HydrophobicContact CB-CG 4.41Å; V46-L48 HydrophobicContact CG2-CD2 4.11Å; V46-L48 HydrophobicContact CG2-CG 4.21Å; L48-Y82 HydrophobicContact CD1-CD1 3.47Å; L48-Y82 VanDerWaalsContact CD1-CD1 3.47Å; L48-Y82 HydrophobicContact CD1-CD2 4.43Å; L48-Y82 HydrophobicContact CD1-CE1 4.07Å; L48-Y82 HydrophobicContact CD1-CG 3.69Å; L48-Y82 HydrophobicContact CD2-CD1 3.91Å; L48-Y82 HydrophobicContact CD2-CD2 3.96Å; L48-Y82 HydrophobicContact CD2-CE1 3.78Å; L48-Y82 HydrophobicContact CD2-CE2 3.86Å; L48-Y82 HydrophobicContact CD2-CG 4.01Å; L48-Y82 HydrophobicContact CG-CD1 4.36Å; L48-V94 HydrophobicContact CB-CG1 3.89Å; L48-V94 HydrophobicContact CD1-CG1 3.66Å; L48-V94 HydrophobicContact CG-CG1 4.42Å; L48-M95 WeakPolarHBondContact CB-O 3.23Å
49A97.2Very high88.3Confident6 Ų655.5 Ų55.55%0.0528%0.279CS..EExtended strand (participates in β ladder)trans-100.5132.617000000109.7V36 Y37 V94 M95 L97V36-A49 HydrophobicContact CG1-CB 4.37Å; Y37-A49 CarbonylContact O-C 3.52Å; Y37-A49 WeakPolarHBondContact O-CA 3.16Å; A49-V94 CarbonylContact O-C 3.48Å; A49-V94 VanDerWaalsContact O-CA 3.31Å; A49-V94 WeakPolarHBondContact O-CA 3.15Å; A49-M95 HydrophobicContact CB-CG 4.27Å; A49-M95 PolarHBondContact N-O 2.72Å; A49-M95 PolarHBondContact O-N 3.39Å; A49-L97 HydrophobicContact CB-CB 4.45Å; A49-L97 HydrophobicContact CB-CD1 3.99Å
50A95.7Very high86.7Confident0 Ų059 Ų590%030%0.303CS..EExtended strand (participates in β ladder)trans-114.8111.5170.300000110.1I18 V36 Y37 V39 L93 V94I18-A50 HydrophobicContact CD1-CB 3.9Å; V36-A50 WeakPolarHBondContact CA-O 3.45Å; Y37-A50 PolarHBondContact N-O 2.85Å; Y37-A50 PolarHBondContact O-N 3.39Å; V39-A50 HydrophobicContact CB-CB 4.49Å; V39-A50 HydrophobicContact CG1-CB 3.51Å; V39-A50 HydrophobicContact CG2-CB 4.09Å; A50-L93 CarbonylContact C-O 3.56Å; A50-L93 WeakPolarHBondContact CA-O 3.41Å; A50-V94 HydrophobicContact CB-CG2 4.3Å
51K93.5Very high85.9Confident26 Ų2656.5 Ų56.511%0.11330%0.296CS..EExtended strand (participates in β ladder)trans-88.4123.1170.8-169.1171.3-170.7-179.30108.5V36 L62 E65 Y92 L93 D163V36-K51 HydrophobicContact CG2-CB 4.37Å; V36-K51 HydrophobicContact CG2-CG 4.08Å; K51-L62 HydrophobicContact CB-CD2 4.23Å; K51-L62 HydrophobicContact CD-CD2 4.01Å; K51-L62 HydrophobicContact CG-CD2 4.02Å; K51-E65 WeakPolarHBondContact CD-OE2 3.48Å; K51-E65 WeakPolarHBondContact CE-OE2 3.33Å; K51-E65 IonicContact NZ-OE1 2.88Å; K51-E65 PolarHBondContact NZ-OE1 3.16Å; K51-E65 IonicContact NZ-OE2 3.41Å; K51-E65 PolarHBondContact NZ-OE2 3.07Å; K51-Y92 CarbonylContact O-C 3.47Å; K51-Y92 VanDerWaalsContact O-CA 3.24Å; K51-Y92 WeakPolarHBondContact O-CA 3.35Å; K51-L93 PolarHBondContact N-O 2.98Å; K51-L93 PolarHBondContact O-N 2.94Å; K51-D163 IonicContact NZ-OD1 2.82Å; K51-D163 PolarHBondContact NZ-OD1 3.1Å; K51-D163 IonicContact NZ-OD2 3.25Å
52A91.7Very high85.5Confident0 Ų057.2 Ų57.20%030%0.299CS..EExtended strand (participates in β ladder)trans-123.8131.8-176.100000111P10 G34 A35 Y37 M90 S91P10-A52 HydrophobicContact CB-CB 4.11Å; P10-A52 HydrophobicContact CG-CB 4.13Å; G34-A52 CarbonylContact C-O 3.56Å; G34-A52 WeakPolarHBondContact CA-O 3.46Å; A35-A52 PolarHBondContact N-O 2.95Å; A35-A52 PolarHBondContact O-N 2.75Å; Y37-A52 HydrophobicContact CD2-CB 4.38Å; Y37-A52 HydrophobicContact CE2-CB 4.08Å; A52-M90 HydrophobicContact CB-CE 4.44Å; A52-M90 HydrophobicContact CB-CG 3.93Å; A52-M90 HydrophobicContact CB-SD 3.48Å; A52-M90 WeakPolarHBondContact CB-SD 3.4Å; A52-S91 WeakPolarHBondContact CA-O 3.5Å
53V88.9Confident85.2Confident13 Ų1362.1 Ų62.18%0.07932%0.318CS..EExtended strand (participates in β ladder)trans-129150.8175.1-550000110.3F33 T55 L62 M90 S91F33-V53 HydrophobicContact CB-CG1 4.46Å; F33-V53 WeakPolarHBondContact O-CB 3.38Å; F33-V53 VanDerWaalsContact O-CG1 3.3Å; F33-V53 WeakPolarHBondContact O-CG1 3.42Å; V53-T55 PolarHBondContact O-N 2.95Å; V53-L62 HydrophobicContact CB-CD1 4.13Å; V53-L62 HydrophobicContact CG1-CD1 3.92Å; V53-L62 HydrophobicContact CG1-CG 3.97Å; V53-L62 HydrophobicContact CG2-CB 4.46Å; V53-L62 HydrophobicContact CG2-CD1 3.3Å; V53-L62 HydrophobicContact CG2-CG 3.9Å; V53-M90 CarbonylContact O-C 3.59Å; V53-M90 WeakPolarHBondContact O-CA 3.42Å; V53-M90 WeakPolarHBondContact O-CG 3.48Å; V53-S91 PolarHBondContact N-O 3.2Å; V53-S91 PolarHBondContact O-N 3.03Å
54N85.4Confident85Confident47 Ų4759 Ų5925%0.25130%0.304SS..EExtended strand (participates in β ladder)trans-71.1131.5173.8-167.1-41.6000109.3K8 K56 A57 K89K8-N54 PolarHBondContact O-ND2 2.9Å; K8-N54 VanDerWaalsContact O-ND2 3.14Å; N54-K56 PolarHBondContact O-N 2.99Å; N54-K56 VanDerWaalsContact O-N 3.09Å; N54-K56 PolarHBondContact OD1-N 3.41Å; N54-A57 WeakPolarHBondContact O-CB 3.45Å; N54-A57 PolarHBondContact O-N 2.88Å; N54-K89 PolarHBondContact OD1-O 3.29Å
55T79Confident85Confident62 Ų6253.7 Ų53.738%0.3828%0.282SS..THydrogen-bonded Turntrans-57.3-25177.850.60000113.6V53 A57 T86 K89V53-T55 PolarHBondContact O-N 2.95Å; T55-A57 VanDerWaalsContact C-N 3.33Å; T55-T86 HydrophobicContact CG2-CG2 3.57Å; T55-K89 WeakPolarHBondContact CB-O 3.31Å; T55-K89 VanDerWaalsContact CG2-C 3.41Å; T55-K89 WeakPolarHBondContact CG2-O 3.05Å; T55-K89 PolarHBondContact N-O 2.87Å; T55-K89 VanDerWaalsContact OG1-C 3.27Å; T55-K89 WeakPolarHBondContact OG1-CA 3.48Å; T55-K89 PolarHBondContact OG1-O 3.26Å
56K75.4Confident84.9Confident167 Ų16749.8 Ų49.873%0.72627%0.266SS*.THydrogen-bonded Turntrans-82-9.1175.5-64.4-170.6175.5-169.40113.6N54 K58N54-K56 PolarHBondContact O-N 2.99Å; N54-K56 VanDerWaalsContact O-N 3.09Å; N54-K56 PolarHBondContact OD1-N 3.41Å; K56-K58 PolarHBondContact O-N 3.48Å; K56-K58 VanDerWaalsContact O-N 3.11Å
57A67Low84.9Confident22 Ų2253.4 Ų53.418%0.18227%0.274CS..SBendtrans-64.2115173.800000108N54 T55 G59N54-A57 WeakPolarHBondContact O-CB 3.45Å; N54-A57 PolarHBondContact O-N 2.88Å; T55-A57 VanDerWaalsContact C-N 3.33Å; A57-G59 PolarHBondContact O-N 3.22Å
58K55Low84.9Confident173 Ų17351.1 Ų51.175%0.75226%0.263SS*.SBendtrans-60.6128.2176.9-72.7-173.6173.4-174.40109.1K56K56-K58 PolarHBondContact O-N 3.48Å; K56-K58 VanDerWaalsContact O-N 3.11Å
59G55.9Low84.9Confident55 Ų5551.2 Ų51.257%0.56726%0.264SS*.SBendtrans105.9119.8177.600000112.3A57 T61A57-G59 PolarHBondContact O-N 3.22Å; G59-T61 PolarHBondContact O-N 2.95Å
60S65.2Low84.9Confident72 Ų7255.3 Ų55.350%0.50328%0.282SS..  trans-84.656-17778.60000112.5L62 K63 M64S60-L62 VanDerWaalsContact C-N 3.28Å; S60-L62 PolarHBondContact O-N 2.85Å; S60-K63 PolarHBondContact O-N 3.32Å; S60-M64 PolarHBondContact O-N 3.23Å; S60-M64 VanDerWaalsContact O-N 3.09Å
61T82.2Confident84.9Confident21 Ų2159.5 Ų59.513%0.12930%0.304CS..Hα-helixtrans-56.6-44.4179.954.80000110.9F33 G59 K63 M64 E65 G165F33-T61 HydrophobicContact CD2-CG2 4.42Å; F33-T61 HydrophobicContact CG-CG2 4.46Å; G59-T61 PolarHBondContact O-N 2.95Å; T61-K63 VanDerWaalsContact C-N 3.33Å; T61-K63 PolarHBondContact O-N 3.43Å; T61-M64 WeakPolarHBondContact O-CB 3.26Å; T61-M64 PolarHBondContact O-N 2.92Å; T61-E65 WeakPolarHBondContact O-CB 3.38Å; T61-E65 PolarHBondContact O-N 3.43Å; T61-G165 WeakPolarHBondContact CG2-O 3.3Å
62L88.6Confident85.1Confident14 Ų1458.2 Ų58.27%0.07330%0.298CS..Hα-helixtrans-61.4-34.1174.8-87-175.4000114.2K51 V53 S60 E65 L66 S91 L93K51-L62 HydrophobicContact CB-CD2 4.23Å; K51-L62 HydrophobicContact CD-CD2 4.01Å; K51-L62 HydrophobicContact CG-CD2 4.02Å; V53-L62 HydrophobicContact CB-CD1 4.13Å; V53-L62 HydrophobicContact CG1-CD1 3.92Å; V53-L62 HydrophobicContact CG1-CG 3.97Å; V53-L62 HydrophobicContact CG2-CB 4.46Å; V53-L62 HydrophobicContact CG2-CD1 3.3Å; V53-L62 HydrophobicContact CG2-CG 3.9Å; S60-L62 VanDerWaalsContact C-N 3.28Å; S60-L62 PolarHBondContact O-N 2.85Å; L62-E65 PolarHBondContact O-N 3.37Å; L62-L66 VanDerWaalsContact O-CB 3.28Å; L62-L66 WeakPolarHBondContact O-CB 3.31Å; L62-L66 PolarHBondContact O-N 3.4Å; L62-S91 WeakPolarHBondContact CD1-O 3.42Å; L62-L93 HydrophobicContact CD2-CB 3.69Å; L62-L93 HydrophobicContact CD2-CD2 4.17Å
63K90.2Very high85.4Confident156 Ų15665.3 Ų65.368%0.67833%0.329SS*.Hα-helixtrans-70.3-37.7177.3-67.2-172.6-177.7-177.40111.1S60 T61 R67S60-K63 PolarHBondContact O-N 3.32Å; T61-K63 VanDerWaalsContact C-N 3.33Å; T61-K63 PolarHBondContact O-N 3.43Å; K63-R67 WeakPolarHBondContact O-CB 3.49Å; K63-R67 PolarHBondContact O-N 2.88Å; K63-R67 VanDerWaalsContact O-N 3.07Å
64M91.8Very high85.7Confident62 Ų6267.8 Ų67.831%0.30536%0.357SS..Hα-helixtrans-65-46.8174.1-171.659.765.700110.1S60 T61 R67 V68 Y138S60-M64 PolarHBondContact O-N 3.23Å; S60-M64 VanDerWaalsContact O-N 3.09Å; T61-M64 WeakPolarHBondContact O-CB 3.26Å; T61-M64 PolarHBondContact O-N 2.92Å; M64-R67 WeakPolarHBondContact O-CB 3.4Å; M64-R67 PolarHBondContact O-N 3.18Å; M64-R67 VanDerWaalsContact O-N 3.16Å; M64-V68 WeakPolarHBondContact O-CG2 3.44Å; M64-V68 PolarHBondContact O-N 2.82Å; M64-V68 HydrophobicContact SD-CG2 4.45Å; M64-Y138 HydrophobicContact SD-CE1 3.79Å
65E94.1Very high86.3Confident2 Ų269.3 Ų69.31%0.00936%0.362CS..Hα-helixtrans-62-47.3-179.4-174.9169.4-163.500112.3K51 T61 L62 R67 V68 L69 L93 F164K51-E65 WeakPolarHBondContact CD-OE2 3.48Å; K51-E65 WeakPolarHBondContact CE-OE2 3.33Å; K51-E65 IonicContact NZ-OE1 2.88Å; K51-E65 PolarHBondContact NZ-OE1 3.16Å; K51-E65 IonicContact NZ-OE2 3.41Å; K51-E65 PolarHBondContact NZ-OE2 3.07Å; T61-E65 WeakPolarHBondContact O-CB 3.38Å; T61-E65 PolarHBondContact O-N 3.43Å; L62-E65 PolarHBondContact O-N 3.37Å; E65-R67 VanDerWaalsContact C-N 3.32Å; E65-R67 PolarHBondContact O-N 3.09Å; E65-V68 PolarHBondContact O-N 2.88Å; E65-L69 HydrophobicContact CG-CD1 4Å; E65-L69 WeakPolarHBondContact O-CB 3.4Å; E65-L69 VanDerWaalsContact O-CG 3.32Å; E65-L69 WeakPolarHBondContact O-CG 3.49Å; E65-L69 PolarHBondContact O-N 3.01Å; E65-L93 HydrophobicContact CG-CD2 3.93Å; E65-F164 HydrophobicContact CB-CB 4.25Å; E65-F164 HydrophobicContact CG-CB 4.1Å; E65-F164 HydrophobicContact CG-CD2 4.37Å
66L95.2Very high87.2Confident41 Ų4171.6 Ų71.622%0.21537%0.366CS..Hα-helixtrans-56.8-46.2172.517563.5000111.5L62 V68 L69 E70 V81 S84 L93L62-L66 VanDerWaalsContact O-CB 3.28Å; L62-L66 WeakPolarHBondContact O-CB 3.31Å; L62-L66 PolarHBondContact O-N 3.4Å; L66-V68 PolarHBondContact O-N 3.48Å; L66-L69 PolarHBondContact O-N 3.5Å; L66-E70 HydrophobicContact CD1-CG 3.91Å; L66-E70 HydrophobicContact CG-CG 4.37Å; L66-E70 WeakPolarHBondContact O-CB 3.39Å; L66-E70 VanDerWaalsContact O-CG 3.31Å; L66-E70 WeakPolarHBondContact O-CG 3.29Å; L66-E70 PolarHBondContact O-N 2.7Å; L66-V81 HydrophobicContact CD1-CG1 3.99Å; L66-V81 HydrophobicContact CD1-CG2 4.37Å; L66-S84 WeakPolarHBondContact CD2-OG 3.49Å; L66-L93 HydrophobicContact CD1-CD1 3.9Å
67R95.8Very high88.3Confident132 Ų13263.8 Ų63.850%0.49833%0.332SS..Hα-helixtrans-60.7-44.4-179.4175.7170.5177.7156.1-0.2112.2K63 M64 E65 L71 Y138K63-R67 WeakPolarHBondContact O-CB 3.49Å; K63-R67 PolarHBondContact O-N 2.88Å; K63-R67 VanDerWaalsContact O-N 3.07Å; M64-R67 WeakPolarHBondContact O-CB 3.4Å; M64-R67 PolarHBondContact O-N 3.18Å; M64-R67 VanDerWaalsContact O-N 3.16Å; E65-R67 VanDerWaalsContact C-N 3.32Å; E65-R67 PolarHBondContact O-N 3.09Å; R67-L71 HydrophobicContact CG-CD1 4.41Å; R67-L71 WeakPolarHBondContact O-CG 3.45Å; R67-L71 PolarHBondContact O-N 2.88Å; R67-Y138 WeakPolarHBondContact CD-OH 3.29Å; R67-Y138 PolarHBondContact NE-OH 3.41Å
68V96.9Very high89.8Confident0 Ų063 Ų630%033%0.325CS..Hα-helixtrans-67.8-44.3179.9175.50000110.3M64 E65 L66 E70 L71 L72 Y138 F164M64-V68 WeakPolarHBondContact O-CG2 3.44Å; M64-V68 PolarHBondContact O-N 2.82Å; M64-V68 HydrophobicContact SD-CG2 4.45Å; E65-V68 PolarHBondContact O-N 2.88Å; L66-V68 PolarHBondContact O-N 3.48Å; V68-E70 PolarHBondContact O-N 2.84Å; V68-L71 PolarHBondContact O-N 2.8Å; V68-L72 HydrophobicContact CG1-CD1 3.57Å; V68-L72 HydrophobicContact CG1-CG 4.4Å; V68-L72 WeakPolarHBondContact O-CG 3.28Å; V68-L72 PolarHBondContact O-N 3.47Å; V68-Y138 HydrophobicContact CG2-CD1 3.53Å; V68-Y138 HydrophobicContact CG2-CE1 3.71Å; V68-Y138 HydrophobicContact CG2-CG 3.97Å; V68-F164 HydrophobicContact CB-CB 3.99Å; V68-F164 HydrophobicContact CB-CD1 4.35Å; V68-F164 HydrophobicContact CB-CG 4.08Å; V68-F164 HydrophobicContact CG1-CB 4.07Å; V68-F164 HydrophobicContact CG1-CD1 3.5Å; V68-F164 VanDerWaalsContact CG1-CD1 3.5Å; V68-F164 HydrophobicContact CG1-CD2 4.29Å; V68-F164 HydrophobicContact CG1-CE1 3.93Å; V68-F164 HydrophobicContact CG1-CG 3.68Å; V68-F164 HydrophobicContact CG1-CZ 4.48Å; V68-F164 HydrophobicContact CG2-CB 4.4Å
69L97.6Very high91.8Very high5 Ų554.9 Ų54.93%0.02629%0.29CS..Hα-helixtrans-61.7-39.9177.2-74.6168.4000113.1E65 L66 L71 L72 K73 C79 V81 L93 M95 F164E65-L69 HydrophobicContact CG-CD1 4Å; E65-L69 WeakPolarHBondContact O-CB 3.4Å; E65-L69 VanDerWaalsContact O-CG 3.32Å; E65-L69 WeakPolarHBondContact O-CG 3.49Å; E65-L69 PolarHBondContact O-N 3.01Å; L66-L69 PolarHBondContact O-N 3.5Å; L69-L71 VanDerWaalsContact C-N 3.34Å; L69-L71 PolarHBondContact O-N 2.77Å; L69-L72 CarbonylContact O-C 3.58Å; L69-L72 PolarHBondContact O-N 2.8Å; L69-K73 PolarHBondContact O-N 2.94Å; L69-K73 VanDerWaalsContact O-N 3.1Å; L69-C79 WeakPolarHBondContact CD2-O 3.32Å; L69-V81 HydrophobicContact CB-CG2 3.61Å; L69-V81 HydrophobicContact CD1-CG2 4.11Å; L69-V81 HydrophobicContact CG-CG2 4.43Å; L69-L93 HydrophobicContact CD1-CD2 3.67Å; L69-M95 HydrophobicContact CD1-SD 4.14Å; L69-F164 HydrophobicContact CD2-CD2 3.84Å; L69-F164 HydrophobicContact CD2-CE2 3.44Å; L69-F164 VanDerWaalsContact CD2-CE2 3.44Å; L69-F164 HydrophobicContact CD2-CZ 4.5Å; L69-F164 HydrophobicContact CG-CD2 3.82Å; L69-F164 HydrophobicContact CG-CE2 3.96Å
70E97.2Very high93.7Very high92 Ų9254.9 Ų54.943%0.4328%0.276SS..Hα-helixtrans-65.3-36.5175.9-72.2-64.5160.900112.2L66 V68 L72 K73L66-E70 HydrophobicContact CD1-CG 3.91Å; L66-E70 HydrophobicContact CG-CG 4.37Å; L66-E70 WeakPolarHBondContact O-CB 3.39Å; L66-E70 VanDerWaalsContact O-CG 3.31Å; L66-E70 WeakPolarHBondContact O-CG 3.29Å; L66-E70 PolarHBondContact O-N 2.7Å; V68-E70 PolarHBondContact O-N 2.84Å; E70-L72 VanDerWaalsContact C-N 3.28Å; E70-L72 PolarHBondContact O-N 2.8Å; E70-K73 WeakPolarHBondContact O-CB 3.42Å; E70-K73 PolarHBondContact O-N 2.92Å
71L97.1Very high95.2Very high87 Ų8753.2 Ų53.246%0.45526%0.262SS..Hα-helixtrans-68.5-29.2173.9-70.8170.1000112.6R67 V68 L69 V136 Y138R67-L71 HydrophobicContact CG-CD1 4.41Å; R67-L71 WeakPolarHBondContact O-CG 3.45Å; R67-L71 PolarHBondContact O-N 2.88Å; V68-L71 PolarHBondContact O-N 2.8Å; L69-L71 VanDerWaalsContact C-N 3.34Å; L69-L71 PolarHBondContact O-N 2.77Å; L71-V136 HydrophobicContact CB-CB 4.23Å; L71-V136 HydrophobicContact CB-CG1 4.38Å; L71-V136 HydrophobicContact CB-CG2 4.39Å; L71-Y138 HydrophobicContact CD1-CD2 4.13Å; L71-Y138 HydrophobicContact CD1-CE2 3.48Å; L71-Y138 VanDerWaalsContact CD1-CE2 3.48Å
72L97.9Very high95.9Very high0 Ų055.8 Ų55.80%027%0.27CS..THydrogen-bonded Turntrans-92.26.2179.8-66.1168.2000113V68 L69 E70 G74 K75 V78 E132 V133 V136 F164V68-L72 HydrophobicContact CG1-CD1 3.57Å; V68-L72 HydrophobicContact CG1-CG 4.4Å; V68-L72 WeakPolarHBondContact O-CG 3.28Å; V68-L72 PolarHBondContact O-N 3.47Å; L69-L72 CarbonylContact O-C 3.58Å; L69-L72 PolarHBondContact O-N 2.8Å; E70-L72 VanDerWaalsContact C-N 3.28Å; E70-L72 PolarHBondContact O-N 2.8Å; L72-G74 PolarHBondContact O-N 2.87Å; L72-K75 HydrophobicContact CB-CG 4.33Å; L72-K75 HydrophobicContact CD2-CG 4.16Å; L72-K75 WeakPolarHBondContact O-CB 3.4Å; L72-K75 WeakPolarHBondContact O-CG 3.36Å; L72-K75 PolarHBondContact O-N 2.86Å; L72-V78 HydrophobicContact CB-CB 4.38Å; L72-V78 HydrophobicContact CB-CG1 4.02Å; L72-V78 HydrophobicContact CB-CG2 4.01Å; L72-V78 HydrophobicContact CD1-CG1 3.95Å; L72-V78 HydrophobicContact CG-CG1 4.43Å; L72-V78 VanDerWaalsContact O-CG2 3.26Å; L72-V78 WeakPolarHBondContact O-CG2 3.43Å; L72-E132 HydrophobicContact CD2-CB 4.25Å; L72-E132 WeakPolarHBondContact CD2-O 3.45Å; L72-V133 HydrophobicContact CD1-CG2 4.01Å; L72-V136 HydrophobicContact CD2-CB 4.41Å; L72-V136 HydrophobicContact CD2-CG1 3.8Å; L72-V136 HydrophobicContact CD2-CG2 3.67Å; L72-V136 HydrophobicContact CG-CG2 4.03Å; L72-F164 HydrophobicContact CD1-CE1 4.02Å; L72-F164 HydrophobicContact CD1-CZ 3.86Å
73K96.8Very high96.2Very high148 Ų14855.9 Ų55.964%0.64327%0.274SS*.THydrogen-bonded Turntrans-53.6132.5-178.5-173.7177.7-179.8177.50111.6L69 E70 K75L69-K73 PolarHBondContact O-N 2.94Å; L69-K73 VanDerWaalsContact O-N 3.1Å; E70-K73 WeakPolarHBondContact O-CB 3.42Å; E70-K73 PolarHBondContact O-N 2.92Å; K73-K75 VanDerWaalsContact C-N 3.28Å; K73-K75 PolarHBondContact O-N 2.85Å
74G95.5Very high96.5Very high65 Ų6551 Ų5167%0.6726%0.26SS*.THydrogen-bonded Turntrans78.8-0-177.800000115.9L72L72-G74 PolarHBondContact O-N 2.87Å
75K97.8Very high96.6Very high80 Ų8049.1 Ų49.135%0.34826%0.257SS..  trans-72.9152.6170.4-65.1-61.8-174174.10111.6L72 K73 V78 E132L72-K75 HydrophobicContact CB-CG 4.33Å; L72-K75 HydrophobicContact CD2-CG 4.16Å; L72-K75 WeakPolarHBondContact O-CB 3.4Å; L72-K75 WeakPolarHBondContact O-CG 3.36Å; L72-K75 PolarHBondContact O-N 2.86Å; K73-K75 VanDerWaalsContact C-N 3.28Å; K73-K75 PolarHBondContact O-N 2.85Å; K75-V78 HydrophobicContact CB-CG1 4.42Å; K75-V78 HydrophobicContact CB-CG2 3.73Å; K75-V78 WeakPolarHBondContact O-CG2 3.3Å; K75-E132 HydrophobicContact CB-CG 4.33Å; K75-E132 WeakPolarHBondContact CB-OE1 3.36Å; K75-E132 HydrophobicContact CD-CG 4.13Å; K75-E132 HydrophobicContact CG-CB 4.44Å; K75-E132 HydrophobicContact CG-CG 4.44Å
76K97.8Very high96.4Very high110 Ų11052.5 Ų52.548%0.47828%0.278SS..THydrogen-bonded Turntrans-72.4-40.2-169.4173.6-177.5162.8-149.90111.5V78 E128 E132 V158K76-V78 PolarHBondContact O-N 3.12Å; K76-E128 IonicContact NZ-OE2 2.74Å; K76-E128 PolarHBondContact NZ-OE2 2.78Å; K76-E132 PolarHBondContact N-OE1 2.79Å; K76-V158 HydrophobicContact CG-CG1 4.28Å
77H98.6Very high96.1Very high2 Ų253.2 Ų53.21%0.00928%0.28CS..THydrogen-bonded Turntrans-99.825.7-169.7-60-81000113.2Q125 E128 A129 E132 V159 L160 I161H77-Q125 PolarHBondContact CE1-OE1 3.34Å; H77-E128 IonicContact CE1-OE2 3.7Å; H77-E128 PolarHBondContact CE1-OE2 3.5Å; H77-E128 VanDerWaalsContact CE1-OE2 3.31Å; H77-E128 WeakPolarHBondContact NE2-CB 3.36Å; H77-E128 IonicContact NE2-OE2 2.67Å; H77-E128 PolarHBondContact NE2-OE2 3.45Å; H77-A129 HydrophobicContact CB-CB 3.42Å; H77-A129 VanDerWaalsContact CB-CB 3.42Å; H77-E132 WeakPolarHBondContact CB-OE2 3.3Å; H77-E132 IonicContact CD2-OE1 3.92Å; H77-E132 IonicContact CD2-OE2 3.15Å; H77-E132 IonicContact CG-OE2 2.75Å; H77-E132 PolarHBondContact N-OE2 3.27Å; H77-V159 WeakPolarHBondContact CA-O 3.31Å; H77-V159 VanDerWaalsContact CB-O 3.28Å; H77-V159 WeakPolarHBondContact CB-O 3.38Å; H77-V159 PolarHBondContact ND1-O 3.44Å; H77-L160 CarbonylContact O-C 3.42Å; H77-L160 VanDerWaalsContact O-CA 3.28Å; H77-L160 WeakPolarHBondContact O-CA 3.42Å; H77-I161 VanDerWaalsContact O-CG2 3.3Å; H77-I161 WeakPolarHBondContact O-CG2 3.34Å; H77-I161 PolarHBondContact O-N 2.94Å
78V97.9Very high95.6Very high5 Ų554 Ų543%0.0329%0.294CS..BIsolated β-bridgetrans-132144.8-176.4-56.90000112.8L72 K75 K76 Q80 I161 F164L72-V78 HydrophobicContact CB-CB 4.38Å; L72-V78 HydrophobicContact CB-CG1 4.02Å; L72-V78 HydrophobicContact CB-CG2 4.01Å; L72-V78 HydrophobicContact CD1-CG1 3.95Å; L72-V78 HydrophobicContact CG-CG1 4.43Å; L72-V78 VanDerWaalsContact O-CG2 3.26Å; L72-V78 WeakPolarHBondContact O-CG2 3.43Å; K75-V78 HydrophobicContact CB-CG1 4.42Å; K75-V78 HydrophobicContact CB-CG2 3.73Å; K75-V78 WeakPolarHBondContact O-CG2 3.3Å; K76-V78 PolarHBondContact O-N 3.12Å; V78-Q80 PolarHBondContact O-NE2 2.94Å; V78-I161 HydrophobicContact CG1-CG2 3.98Å; V78-F164 HydrophobicContact CG1-CZ 4.46Å
79C97.3Very high95.1Very high4 Ų461.2 Ų61.23%0.02733%0.325CS..PPolyproline II helixtrans-64.1139.5171-67.90000110.9L69 M95L69-C79 WeakPolarHBondContact CD2-O 3.32Å; C79-M95 HydrophobicContact CB-CB 4.25Å; C79-M95 HydrophobicContact CB-CG 4.35Å; C79-M95 HydrophobicContact CB-SD 4.27Å
80Q95.7Very high94.7Very high55 Ų5561.8 Ų61.826%0.25733%0.328SS..PPolyproline II helixtrans-86.7141.1175.5-57.9-57.6-45.200110.1V78 Y82 M95 T96V78-Q80 PolarHBondContact O-NE2 2.94Å; Q80-Y82 HydrophobicContact CB-CE2 4.27Å; Q80-Y82 WeakPolarHBondContact O-CD2 3.13Å; Q80-M95 CarbonylContact O-C 3.57Å; Q80-M95 WeakPolarHBondContact O-CA 3.32Å; Q80-M95 WeakPolarHBondContact O-CB 3.27Å; Q80-T96 PolarHBondContact N-OG1 2.87Å; Q80-T96 PolarHBondContact O-N 3.44Å
81V97.1Very high94.4Very high37 Ų3758.8 Ų58.822%0.22432%0.317CS..EExtended strand (participates in β ladder)trans-81.6131.8177.3-179.10000110.2L66 L69 L93L66-V81 HydrophobicContact CD1-CG1 3.99Å; L66-V81 HydrophobicContact CD1-CG2 4.37Å; L69-V81 HydrophobicContact CB-CG2 3.61Å; L69-V81 HydrophobicContact CD1-CG2 4.11Å; L69-V81 HydrophobicContact CG-CG2 4.43Å; V81-L93 HydrophobicContact CG1-CD1 3.85Å; V81-L93 HydrophobicContact CG2-CD1 4.24Å
82Y96.8Very high94.2Very high74 Ų7455.2 Ų55.229%0.2930%0.298SS..EExtended strand (participates in β ladder)trans-107.9-23.4177.4-82.2-114.2000112.5K44 L48 Q80 V94K44-Y82 HydrophobicContact CD-CD1 3.72Å; K44-Y82 HydrophobicContact CD-CE1 3.43Å; K44-Y82 VanDerWaalsContact CD-CE1 3.43Å; K44-Y82 VanDerWaalsContact NZ-CD1 3.29Å; L48-Y82 HydrophobicContact CD1-CD1 3.47Å; L48-Y82 VanDerWaalsContact CD1-CD1 3.47Å; L48-Y82 HydrophobicContact CD1-CD2 4.43Å; L48-Y82 HydrophobicContact CD1-CE1 4.07Å; L48-Y82 HydrophobicContact CD1-CG 3.69Å; L48-Y82 HydrophobicContact CD2-CD1 3.91Å; L48-Y82 HydrophobicContact CD2-CD2 3.96Å; L48-Y82 HydrophobicContact CD2-CE1 3.78Å; L48-Y82 HydrophobicContact CD2-CE2 3.86Å; L48-Y82 HydrophobicContact CD2-CG 4.01Å; L48-Y82 HydrophobicContact CG-CD1 4.36Å; Q80-Y82 HydrophobicContact CB-CE2 4.27Å; Q80-Y82 WeakPolarHBondContact O-CD2 3.13Å; Y82-V94 PolarHBondContact N-O 2.94Å
83G95.8Very high94.1Very high16 Ų1655.3 Ų55.317%0.16530%0.298CS..EExtended strand (participates in β ladder)trans175.1160.3176.200000111.5V94G83-V94 PolarHBondContact N-O 3.02Å; G83-V94 PolarHBondContact O-N 3.32Å
84S95.3Very high94.1Very high53 Ų5348.2 Ų48.237%0.37127%0.268SS..EExtended strand (participates in β ladder)trans-148.1166.5171.665.90000109.3L66 Y92L66-S84 WeakPolarHBondContact CD2-OG 3.49Å; S84-Y92 VanDerWaalsContact C-CE2 3.48Å; S84-Y92 VanDerWaalsContact CA-O 3.28Å; S84-Y92 WeakPolarHBondContact CA-O 3.44Å; S84-Y92 WeakPolarHBondContact CB-O 3.37Å; S84-Y92 PolarHBondContact O-OH 3.39Å
85G93.3Very high94.2Very high24 Ų2446.1 Ų46.125%0.24724%0.24CC..EExtended strand (participates in β ladder)trans167.5-167.3175.100000113.1S91 Y92G85-S91 WeakPolarHBondContact O-CA 3.11Å; G85-Y92 VanDerWaalsContact C-CE1 3.45Å; G85-Y92 PolarHBondContact N-O 2.9Å; G85-Y92 PolarHBondContact O-N 3.13Å
86T91.1Very high94.1Very high73 Ų7343.9 Ų43.945%0.44823%0.234SC..EExtended strand (participates in β ladder)trans-132.7136.8173.5-63.40000109R19 T55 M90 S91R19-T86 PolarHBondContact NH2-O 2.83Å; T55-T86 HydrophobicContact CG2-CG2 3.57Å; T86-M90 CarbonylContact C-O 3.58Å; T86-M90 VanDerWaalsContact CA-O 3.25Å; T86-M90 WeakPolarHBondContact CA-O 3.44Å; T86-M90 WeakPolarHBondContact CG2-O 3.49Å; T86-S91 PolarHBondContact OG1-OG 3.19Å
87E89Confident94.1Very high55 Ų5539.2 Ų39.226%0.25721%0.214SC..EExtended strand (participates in β ladder)trans-154.1140.4179.7-179.9169.5-129.100108.4R19 K89 M90 Y92R19-E87 PolarHBondContact N-OE2 3.45Å; E87-K89 VanDerWaalsContact C-N 3.28Å; E87-K89 PolarHBondContact O-N 3.1Å; E87-K89 VanDerWaalsContact O-N 3.1Å; E87-M90 PolarHBondContact N-O 2.98Å; E87-M90 WeakPolarHBondContact O-CA 3.01Å; E87-M90 WeakPolarHBondContact O-CB 3.39Å; E87-M90 PolarHBondContact O-N 3.31Å; E87-Y92 HydrophobicContact CB-CE1 4.22Å
88N85.8Confident94Very high149 Ų14939.7 Ų39.780%0.79722%0.218SC*.THydrogen-bonded Turntrans49.941.2174.6-61.4-30.8000115.3M90N88-M90 PolarHBondContact O-N 2.97Å
89K85.9Confident94Very high152 Ų15240.2 Ų40.266%0.66122%0.224SC*.THydrogen-bonded Turntrans6221.7-176.5-53.9173.3-177.9167.60113.9N54 T55 E87N54-K89 PolarHBondContact OD1-O 3.29Å; T55-K89 WeakPolarHBondContact CB-O 3.31Å; T55-K89 VanDerWaalsContact CG2-C 3.41Å; T55-K89 WeakPolarHBondContact CG2-O 3.05Å; T55-K89 PolarHBondContact N-O 2.87Å; T55-K89 VanDerWaalsContact OG1-C 3.27Å; T55-K89 WeakPolarHBondContact OG1-CA 3.48Å; T55-K89 PolarHBondContact OG1-O 3.26Å; E87-K89 VanDerWaalsContact C-N 3.28Å; E87-K89 PolarHBondContact O-N 3.1Å; E87-K89 VanDerWaalsContact O-N 3.1Å
90M88.6Confident93.9Very high16 Ų1640.4 Ų40.48%0.07923%0.225CC..EExtended strand (participates in β ladder)trans-120.4132.4175178.3-172.776.100109.1P10 L12 I18 A52 V53 T86 E87 N88 Y92P10-M90 HydrophobicContact CB-CG 4.24Å; P10-M90 HydrophobicContact CB-SD 3.83Å; P10-M90 HydrophobicContact CG-CG 4.14Å; P10-M90 HydrophobicContact CG-SD 4.35Å; L12-M90 HydrophobicContact CD1-CE 4.02Å; L12-M90 HydrophobicContact CD1-SD 3.93Å; L12-M90 HydrophobicContact CD2-CE 4.22Å; L12-M90 HydrophobicContact CD2-SD 4.2Å; L12-M90 HydrophobicContact CG-SD 4.13Å; I18-M90 HydrophobicContact CD1-CE 4.36Å; I18-M90 HydrophobicContact CG1-CE 4.32Å; A52-M90 HydrophobicContact CB-CE 4.44Å; A52-M90 HydrophobicContact CB-CG 3.93Å; A52-M90 HydrophobicContact CB-SD 3.48Å; A52-M90 WeakPolarHBondContact CB-SD 3.4Å; V53-M90 CarbonylContact O-C 3.59Å; V53-M90 WeakPolarHBondContact O-CA 3.42Å; V53-M90 WeakPolarHBondContact O-CG 3.48Å; T86-M90 CarbonylContact C-O 3.58Å; T86-M90 VanDerWaalsContact CA-O 3.25Å; T86-M90 WeakPolarHBondContact CA-O 3.44Å; T86-M90 WeakPolarHBondContact CG2-O 3.49Å; E87-M90 PolarHBondContact N-O 2.98Å; E87-M90 WeakPolarHBondContact O-CA 3.01Å; E87-M90 WeakPolarHBondContact O-CB 3.39Å; E87-M90 PolarHBondContact O-N 3.31Å; N88-M90 PolarHBondContact O-N 2.97Å; M90-Y92 HydrophobicContact CE-CD1 4.29Å
91S91.3Very high93.9Very high29 Ų2938.3 Ų38.320%0.20322%0.217CC..EExtended strand (participates in β ladder)trans-94.2140.3165.8-62.80000108.5A52 V53 L62 G85 T86A52-S91 WeakPolarHBondContact CA-O 3.5Å; V53-S91 PolarHBondContact N-O 3.2Å; V53-S91 PolarHBondContact O-N 3.03Å; L62-S91 WeakPolarHBondContact CD1-O 3.42Å; G85-S91 WeakPolarHBondContact O-CA 3.11Å; T86-S91 PolarHBondContact OG1-OG 3.19Å
92Y93.4Very high94Very high12 Ų1236.5 Ų36.55%0.04721%0.206CC..EExtended strand (participates in β ladder)trans-134.5152.6-177.865.5-92.3000111.8I18 R19 W22 K51 S84 G85 E87 M90 V94I18-Y92 HydrophobicContact CG2-CD1 3.75Å; I18-Y92 HydrophobicContact CG2-CD2 3.97Å; I18-Y92 HydrophobicContact CG2-CE1 3.77Å; I18-Y92 HydrophobicContact CG2-CE2 4Å; I18-Y92 HydrophobicContact CG2-CG 3.87Å; R19-Y92 HydrophobicContact CG-CE1 4.27Å; R19-Y92 WeakPolarHBondContact CG-OH 3.5Å; R19-Y92 PolarHBondContact NE-OH 3.49Å; W22-Y92 HydrophobicContact CE3-CE2 4.37Å; W22-Y92 HydrophobicContact CH2-CE2 4.45Å; W22-Y92 AromaticContact CZ3-CE2 3.75Å; W22-Y92 HydrophobicContact CZ3-CE2 3.75Å; K51-Y92 CarbonylContact O-C 3.47Å; K51-Y92 VanDerWaalsContact O-CA 3.24Å; K51-Y92 WeakPolarHBondContact O-CA 3.35Å; S84-Y92 VanDerWaalsContact C-CE2 3.48Å; S84-Y92 VanDerWaalsContact CA-O 3.28Å; S84-Y92 WeakPolarHBondContact CA-O 3.44Å; S84-Y92 WeakPolarHBondContact CB-O 3.37Å; S84-Y92 PolarHBondContact O-OH 3.39Å; G85-Y92 VanDerWaalsContact C-CE1 3.45Å; G85-Y92 PolarHBondContact N-O 2.9Å; G85-Y92 PolarHBondContact O-N 3.13Å; E87-Y92 HydrophobicContact CB-CE1 4.22Å; M90-Y92 HydrophobicContact CE-CD1 4.29Å; Y92-V94 HydrophobicContact CD2-CG2 3.95Å; Y92-V94 HydrophobicContact CE2-CG2 4.36Å
93L94.8Very high94Very high2 Ų234.4 Ų34.41%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-132.3122.4171.3170.564.7000107.6A50 K51 L62 E65 L66 L69 V81 M95A50-L93 CarbonylContact C-O 3.56Å; A50-L93 WeakPolarHBondContact CA-O 3.41Å; K51-L93 PolarHBondContact N-O 2.98Å; K51-L93 PolarHBondContact O-N 2.94Å; L62-L93 HydrophobicContact CD2-CB 3.69Å; L62-L93 HydrophobicContact CD2-CD2 4.17Å; E65-L93 HydrophobicContact CG-CD2 3.93Å; L66-L93 HydrophobicContact CD1-CD1 3.9Å; L69-L93 HydrophobicContact CD1-CD2 3.67Å; V81-L93 HydrophobicContact CG1-CD1 3.85Å; V81-L93 HydrophobicContact CG2-CD1 4.24Å; L93-M95 HydrophobicContact CD2-SD 4.21Å
94V97Very high94Very high0 Ų037.3 Ų37.30%022%0.216CC..EExtended strand (participates in β ladder)trans-104.8127175.7-171.20000108.5W22 V39 L48 A49 A50 Y82 G83 Y92W22-V94 HydrophobicContact CD2-CB 4.42Å; W22-V94 HydrophobicContact CD2-CG1 4.29Å; W22-V94 HydrophobicContact CD2-CG2 3.74Å; W22-V94 HydrophobicContact CE3-CG2 3.87Å; W22-V94 HydrophobicContact CG-CG1 4.19Å; W22-V94 HydrophobicContact CG-CG2 4.16Å; W22-V94 HydrophobicContact CH2-CG2 4.41Å; W22-V94 HydrophobicContact CZ2-CB 4.42Å; W22-V94 HydrophobicContact CZ2-CG2 4.31Å; W22-V94 HydrophobicContact CZ3-CG2 4.2Å; V39-V94 HydrophobicContact CG2-CG1 4.27Å; L48-V94 HydrophobicContact CB-CG1 3.89Å; L48-V94 HydrophobicContact CD1-CG1 3.66Å; L48-V94 HydrophobicContact CG-CG1 4.42Å; A49-V94 CarbonylContact O-C 3.48Å; A49-V94 VanDerWaalsContact O-CA 3.31Å; A49-V94 WeakPolarHBondContact O-CA 3.15Å; A50-V94 HydrophobicContact CB-CG2 4.3Å; Y82-V94 PolarHBondContact N-O 2.94Å; G83-V94 PolarHBondContact N-O 3.02Å; G83-V94 PolarHBondContact O-N 3.32Å; Y92-V94 HydrophobicContact CD2-CG2 3.95Å; Y92-V94 HydrophobicContact CE2-CG2 4.36Å
95M97.4Very high94Very high20 Ų2034.9 Ų34.910%0.09920%0.198CC..EExtended strand (participates in β ladder)trans-146.6173.1-174.563-172.117600111.8L48 A49 L69 C79 Q80 L93 L97L48-M95 WeakPolarHBondContact CB-O 3.23Å; A49-M95 HydrophobicContact CB-CG 4.27Å; A49-M95 PolarHBondContact N-O 2.72Å; A49-M95 PolarHBondContact O-N 3.39Å; L69-M95 HydrophobicContact CD1-SD 4.14Å; C79-M95 HydrophobicContact CB-CB 4.25Å; C79-M95 HydrophobicContact CB-CG 4.35Å; C79-M95 HydrophobicContact CB-SD 4.27Å; Q80-M95 CarbonylContact O-C 3.57Å; Q80-M95 WeakPolarHBondContact O-CA 3.32Å; Q80-M95 WeakPolarHBondContact O-CB 3.27Å; L93-M95 HydrophobicContact CD2-SD 4.21Å; M95-L97 PolarHBondContact O-N 3.24Å
96T96.8Very high94.1Very high34 Ų3434.5 Ų34.521%0.20919%0.191CC..EExtended strand (participates in β ladder)trans-46.2134.3171.9-57.50000111.2Q80 A98Q80-T96 PolarHBondContact N-OG1 2.87Å; Q80-T96 PolarHBondContact O-N 3.44Å; T96-A98 PolarHBondContact O-N 2.68Å
97L97.3Very high94.2Very high11 Ų1136.1 Ų36.16%0.05820%0.197CC..  trans-84.6110171.8-179.856000110.2L28 E38 H47 A49 M95 R152 W311L28-L97 HydrophobicContact CD1-CD1 3.52Å; E38-L97 HydrophobicContact CG-CD2 3.75Å; H47-L97 HydrophobicContact CB-CD2 3.81Å; A49-L97 HydrophobicContact CB-CB 4.45Å; A49-L97 HydrophobicContact CB-CD1 3.99Å; M95-L97 PolarHBondContact O-N 3.24Å; L97-R152 VanDerWaalsContact O-CD 3.29Å; L97-R152 WeakPolarHBondContact O-CD 3.45Å; L97-W311 HydrophobicContact CD2-CZ3 4.38Å; L97-W311 HydrophobicContact CG-CZ3 4.39Å
98A97Very high94.3Very high13 Ų1338.3 Ų38.311%0.10720%0.203CC..  trans-72.1164.2172.100000112T96 A149 L160 L162T96-A98 PolarHBondContact O-N 2.68Å; A98-A149 HydrophobicContact CB-CB 3.84Å; A98-L160 HydrophobicContact CB-CD1 4.02Å; A98-L162 HydrophobicContact CB-CD2 4.36Å
99G96.3Very high94.5Very high15 Ų1531.8 Ų31.816%0.15517%0.168CC..  trans-78.7-158.916700000112.4I150G99-I150 WeakPolarHBondContact CA-O 3.34Å; G99-I150 PolarHBondContact N-O 3.28Å
100P95.5Very high94.6Very high8 Ų831 Ų315%0.05218%0.179CC..  trans-62.7147.817627.2-35000112.2D104 L105 A149 I150P100-D104 HydrophobicContact CB-CB 3.99Å; P100-L105 HydrophobicContact CB-CD2 4.15Å; P100-L105 HydrophobicContact CB-CG 4.08Å; P100-L105 HydrophobicContact CG-CD1 4.25Å; P100-L105 HydrophobicContact CG-CD2 3.64Å; P100-L105 HydrophobicContact CG-CG 3.92Å; P100-A149 WeakPolarHBondContact O-CA 3.25Å; P100-A149 WeakPolarHBondContact O-CB 3.44Å; P100-I150 HydrophobicContact CG-CD1 3.87Å; P100-I150 HydrophobicContact CG-CG1 3.95Å; P100-I150 PolarHBondContact O-N 3.3Å; P100-I150 VanDerWaalsContact O-N 3.16Å
101S97.1Very high94.7Very high11 Ų1134.8 Ų34.88%0.07720%0.203CC..BIsolated β-bridgetrans-69161.5172.667.90000111.6A103 D104 L105 F148S101-A103 PolarHBondContact O-N 3.39Å; S101-D104 WeakPolarHBondContact CB-OD2 3.18Å; S101-D104 PolarHBondContact N-OD2 3.23Å; S101-D104 WeakPolarHBondContact O-CB 3.45Å; S101-D104 PolarHBondContact O-N 2.86Å; S101-D104 VanDerWaalsContact O-N 3.09Å; S101-D104 PolarHBondContact OG-N 2.94Å; S101-D104 PolarHBondContact OG-OD2 3.3Å; S101-L105 WeakPolarHBondContact O-CG 3.4Å; S101-L105 PolarHBondContact O-N 2.76Å; S101-F148 CarbonylContact C-O 3.41Å; S101-F148 WeakPolarHBondContact CA-O 3.28Å; S101-F148 WeakPolarHBondContact CB-O 3.42Å
102L98.1Very high94.8Very high0 Ų037.7 Ų37.70%021%0.212CC..Hα-helixtrans-62.4-32.2173.4-58-172.6000111L105 L106 L122 P145 F148 I150 M219 W297L102-L105 HydrophobicContact CD2-CD1 4.21Å; L102-L105 PolarHBondContact O-N 3.41Å; L102-L106 VanDerWaalsContact O-CB 3.23Å; L102-L106 WeakPolarHBondContact O-CB 3.23Å; L102-L106 PolarHBondContact O-N 2.96Å; L102-L122 HydrophobicContact CD2-CD1 4.19Å; L102-L122 HydrophobicContact CD2-CD2 4.07Å; L102-P145 HydrophobicContact CB-CB 4.1Å; L102-P145 WeakPolarHBondContact CB-O 3.43Å; L102-P145 PolarHBondContact N-O 3.33Å; L102-F148 HydrophobicContact CD1-CB 3.65Å; L102-F148 HydrophobicContact CD1-CG 4.42Å; L102-F148 HydrophobicContact CG-CB 3.78Å; L102-F148 PolarHBondContact N-O 3.01Å; L102-I150 HydrophobicContact CD2-CG2 4.31Å; L102-M219 HydrophobicContact CB-SD 4.36Å; L102-M219 HydrophobicContact CD1-SD 4.02Å; L102-W297 HydrophobicContact CD2-CH2 4.42Å
103A96.7Very high94.9Very high29 Ų2942 Ų4224%0.2423%0.231CC..Hα-helixtrans-63.4-44.7170.800000112.3S101 L105 L106 D107 P145 A146S101-A103 PolarHBondContact O-N 3.39Å; A103-L105 VanDerWaalsContact C-N 3.29Å; A103-L105 PolarHBondContact O-N 2.68Å; A103-L106 PolarHBondContact O-N 2.78Å; A103-D107 WeakPolarHBondContact O-CB 3.14Å; A103-D107 PolarHBondContact O-N 3.13Å; A103-P145 HydrophobicContact CB-CB 4.09Å; A103-P145 PolarHBondContact N-O 3.3Å; A103-A146 HydrophobicContact CB-CB 3.84Å
104D95.4Very high95Very high78 Ų7842.1 Ų42.142%0.41723%0.231SC..Hα-helixtrans-63.8-36.3177.2-64.2-50.5000111.9P100 S101 R108P100-D104 HydrophobicContact CB-CB 3.99Å; S101-D104 WeakPolarHBondContact CB-OD2 3.18Å; S101-D104 PolarHBondContact N-OD2 3.23Å; S101-D104 WeakPolarHBondContact O-CB 3.45Å; S101-D104 PolarHBondContact O-N 2.86Å; S101-D104 VanDerWaalsContact O-N 3.09Å; S101-D104 PolarHBondContact OG-N 2.94Å; S101-D104 PolarHBondContact OG-OD2 3.3Å; D104-R108 WeakPolarHBondContact O-CD 3.38Å; D104-R108 WeakPolarHBondContact O-CG 3.44Å; D104-R108 PolarHBondContact O-N 2.83Å; D104-R108 PolarHBondContact O-NE 2.88Å
105L96.1Very high94.9Very high1 Ų144.9 Ų44.91%0.00525%0.248CC..Hα-helixtrans-70.7-44.2177.3-70169.1000111P100 S101 L102 A103 D107 R108 C109 F114 I150 W297P100-L105 HydrophobicContact CB-CD2 4.15Å; P100-L105 HydrophobicContact CB-CG 4.08Å; P100-L105 HydrophobicContact CG-CD1 4.25Å; P100-L105 HydrophobicContact CG-CD2 3.64Å; P100-L105 HydrophobicContact CG-CG 3.92Å; S101-L105 WeakPolarHBondContact O-CG 3.4Å; S101-L105 PolarHBondContact O-N 2.76Å; L102-L105 HydrophobicContact CD2-CD1 4.21Å; L102-L105 PolarHBondContact O-N 3.41Å; A103-L105 VanDerWaalsContact C-N 3.29Å; A103-L105 PolarHBondContact O-N 2.68Å; L105-D107 VanDerWaalsContact C-N 3.29Å; L105-D107 PolarHBondContact O-N 3.14Å; L105-R108 PolarHBondContact O-N 3.49Å; L105-R108 VanDerWaalsContact O-N 3.09Å; L105-C109 PolarHBondContact O-N 3.14Å; L105-F114 HydrophobicContact CB-CE1 4.3Å; L105-F114 HydrophobicContact CB-CZ 3.86Å; L105-I150 HydrophobicContact CD1-CD1 4.12Å; L105-I150 HydrophobicContact CD1-CG1 4.23Å; L105-I150 HydrophobicContact CD1-CG2 3.89Å; L105-W297 HydrophobicContact CB-CD2 4.46Å; L105-W297 HydrophobicContact CB-CE3 3.93Å; L105-W297 HydrophobicContact CB-CZ3 4.15Å; L105-W297 HydrophobicContact CD1-CD2 3.91Å; L105-W297 HydrophobicContact CD1-CE3 3.93Å; L105-W297 HydrophobicContact CD1-CH2 3.8Å; L105-W297 HydrophobicContact CD1-CZ2 3.83Å; L105-W297 HydrophobicContact CD1-CZ3 3.88Å; L105-W297 HydrophobicContact CD2-CB 4.06Å; L105-W297 HydrophobicContact CD2-CD2 3.9Å; L105-W297 HydrophobicContact CD2-CE3 4.22Å; L105-W297 HydrophobicContact CD2-CG 3.82Å; L105-W297 HydrophobicContact CG-CD2 4.3Å; L105-W297 HydrophobicContact CG-CE3 4.25Å
106L95.1Very high94.9Very high17 Ų1747.1 Ų47.19%0.08926%0.256CS..Hα-helixtrans-60.3-41.4176.7-173.568000111.1L102 A103 R108 C109 K112 F114 M219L102-L106 VanDerWaalsContact O-CB 3.23Å; L102-L106 WeakPolarHBondContact O-CB 3.23Å; L102-L106 PolarHBondContact O-N 2.96Å; A103-L106 PolarHBondContact O-N 2.78Å; L106-R108 PolarHBondContact O-N 2.87Å; L106-C109 WeakPolarHBondContact O-CB 3.49Å; L106-C109 PolarHBondContact O-N 3.04Å; L106-K112 WeakPolarHBondContact CD1-O 3.2Å; L106-F114 HydrophobicContact CB-CE1 4.33Å; L106-F114 HydrophobicContact CB-CE2 4.1Å; L106-F114 HydrophobicContact CB-CZ 3.76Å; L106-F114 HydrophobicContact CD1-CD1 4.21Å; L106-F114 HydrophobicContact CD1-CD2 3.99Å; L106-F114 HydrophobicContact CD1-CE1 4.2Å; L106-F114 HydrophobicContact CD1-CE2 3.98Å; L106-F114 HydrophobicContact CD1-CG 4.09Å; L106-F114 HydrophobicContact CD1-CZ 4.08Å; L106-F114 VanDerWaalsContact N-CZ 3.32Å; L106-M219 HydrophobicContact CD2-CG 4.49Å
107D93.5Very high94.8Very high106 Ų10646.5 Ų46.557%0.56725%0.253SS*.Hα-helixtrans-68-22.9178.3-161.151.9000112.7A103 L105 K112A103-D107 WeakPolarHBondContact O-CB 3.14Å; A103-D107 PolarHBondContact O-N 3.13Å; L105-D107 VanDerWaalsContact C-N 3.29Å; L105-D107 PolarHBondContact O-N 3.14Å; D107-K112 VanDerWaalsContact CG-NZ 3.33Å; D107-K112 PolarHBondContact O-NZ 2.77Å; D107-K112 IonicContact OD1-NZ 2.95Å; D107-K112 PolarHBondContact OD1-NZ 3.25Å; D107-K112 IonicContact OD2-NZ 2.77Å
108R91.1Very high94.8Very high102 Ų10246 Ų4639%0.38525%0.251SS..Hα-helixtrans-84.2-18.8174.8-68.4167.7-162.4-149.12.5113.2D104 L105 L106 S307D104-R108 WeakPolarHBondContact O-CD 3.38Å; D104-R108 WeakPolarHBondContact O-CG 3.44Å; D104-R108 PolarHBondContact O-N 2.83Å; D104-R108 PolarHBondContact O-NE 2.88Å; L105-R108 PolarHBondContact O-N 3.49Å; L105-R108 VanDerWaalsContact O-N 3.09Å; L106-R108 PolarHBondContact O-N 2.87Å; R108-S307 PolarHBondContact NH1-OG 2.75Å
109C90.2Very high94.8Very high11 Ų1145.4 Ų45.47%0.07425%0.246CC..SBendtrans-68127.2174.8-72.60000109.9L105 L106 T111 K112 F114L105-C109 PolarHBondContact O-N 3.14Å; L106-C109 WeakPolarHBondContact O-CB 3.49Å; L106-C109 PolarHBondContact O-N 3.04Å; C109-T111 PolarHBondContact O-N 3.44Å; C109-T111 VanDerWaalsContact O-N 3.15Å; C109-K112 PolarHBondContact O-N 3.36Å; C109-F114 WeakPolarHBondContact SG-CE1 3.35Å
110P87.9Confident94.9Very high135 Ų13544.7 Ų44.788%0.87724%0.238SC*.THydrogen-bonded Turntrans-55.5-35.8-179.2-27.935000113.5K112P110-K112 VanDerWaalsContact C-N 3.3Å
111T90.9Very high95Very high96 Ų9644.9 Ų44.959%0.58924%0.24SC*.THydrogen-bonded Turntrans-82.3-5.1179.752.40000113.7C109 K113C109-T111 PolarHBondContact O-N 3.44Å; C109-T111 VanDerWaalsContact O-N 3.15Å; T111-K113 PolarHBondContact O-N 2.84Å; T111-K113 VanDerWaalsContact O-N 3.08Å; T111-K113 PolarHBondContact OG1-O 3.04Å; T111-K113 VanDerWaalsContact OG1-O 3.04Å
112K93.8Very high95Very high91 Ų9144.4 Ų44.440%0.39624%0.236SC..SBendtrans52.724.1-172.3-56.9-65.7-174.4172.90114.1L106 D107 C109 P110 G222L106-K112 WeakPolarHBondContact CD1-O 3.2Å; D107-K112 VanDerWaalsContact CG-NZ 3.33Å; D107-K112 PolarHBondContact O-NZ 2.77Å; D107-K112 IonicContact OD1-NZ 2.95Å; D107-K112 PolarHBondContact OD1-NZ 3.25Å; D107-K112 IonicContact OD2-NZ 2.77Å; C109-K112 PolarHBondContact O-N 3.36Å; P110-K112 VanDerWaalsContact C-N 3.3Å; K112-G222 WeakPolarHBondContact O-CA 3.46Å
113K95.2Very high95.1Very high101 Ų10144.4 Ų44.444%0.43924%0.236SC..SBendtrans-143.4149.6175.465.9179.6-177.6174.40109.6T111 M219T111-K113 PolarHBondContact O-N 2.84Å; T111-K113 VanDerWaalsContact O-N 3.08Å; T111-K113 PolarHBondContact OG1-O 3.04Å; T111-K113 VanDerWaalsContact OG1-O 3.04Å; K113-M219 CarbonylContact C-O 3.54Å; K113-M219 WeakPolarHBondContact CA-O 3.47Å
114F96.3Very high95.1Very high5 Ų544.1 Ų44.12%0.02223%0.23CC..  trans-86.1153168-63.3-41.4000110.8L105 L106 C109 T118 T119 L122 M219 D296 W297L105-F114 HydrophobicContact CB-CE1 4.3Å; L105-F114 HydrophobicContact CB-CZ 3.86Å; L106-F114 HydrophobicContact CB-CE1 4.33Å; L106-F114 HydrophobicContact CB-CE2 4.1Å; L106-F114 HydrophobicContact CB-CZ 3.76Å; L106-F114 HydrophobicContact CD1-CD1 4.21Å; L106-F114 HydrophobicContact CD1-CD2 3.99Å; L106-F114 HydrophobicContact CD1-CE1 4.2Å; L106-F114 HydrophobicContact CD1-CE2 3.98Å; L106-F114 HydrophobicContact CD1-CG 4.09Å; L106-F114 HydrophobicContact CD1-CZ 4.08Å; L106-F114 VanDerWaalsContact N-CZ 3.32Å; C109-F114 WeakPolarHBondContact SG-CE1 3.35Å; F114-T118 HydrophobicContact CB-CG2 3.79Å; F114-T118 HydrophobicContact CD1-CG2 3.89Å; F114-T118 HydrophobicContact CD2-CG2 4.07Å; F114-T118 HydrophobicContact CG-CG2 3.66Å; F114-T119 WeakPolarHBondContact CB-OG1 3.32Å; F114-L122 HydrophobicContact CD2-CD1 4.12Å; F114-L122 HydrophobicContact CE2-CD1 4.09Å; F114-M219 HydrophobicContact CD2-CB 3.96Å; F114-M219 HydrophobicContact CD2-CG 4.07Å; F114-M219 HydrophobicContact CD2-SD 4.14Å; F114-M219 HydrophobicContact CE2-CG 4.14Å; F114-M219 HydrophobicContact CE2-SD 4.02Å; F114-M219 PolarHBondContact N-O 2.87Å; F114-D296 WeakPolarHBondContact CA-OD2 3.46Å; F114-D296 HydrophobicContact CD1-CB 4.34Å; F114-W297 HydrophobicContact CD1-CE3 4.47Å; F114-W297 HydrophobicContact CD1-CZ3 4.27Å; F114-W297 AromaticContact CE1-CE3 3.78Å; F114-W297 HydrophobicContact CE1-CE3 3.78Å; F114-W297 AromaticContact CE1-CZ3 3.66Å; F114-W297 HydrophobicContact CE1-CZ3 3.66Å; F114-W297 HydrophobicContact CE2-CZ3 4.21Å; F114-W297 HydrophobicContact CZ-CE3 4.12Å; F114-W297 AromaticContact CZ-CZ3 3.64Å; F114-W297 HydrophobicContact CZ-CZ3 3.64Å
115T95.7Very high95.3Very high59 Ų5941.4 Ų41.436%0.36222%0.215SC..  trans-68.2161.7166.360.60000110.1S117 T118 T119 D296T115-S117 PolarHBondContact O-N 3.25Å; T115-S117 PolarHBondContact OG1-OG 3.29Å; T115-T118 PolarHBondContact O-N 3.24Å; T115-T118 VanDerWaalsContact O-N 3.11Å; T115-T118 PolarHBondContact OG1-N 3.42Å; T115-T119 VanDerWaalsContact O-CB 3.29Å; T115-T119 WeakPolarHBondContact O-CB 3.45Å; T115-T119 PolarHBondContact O-N 2.93Å; T115-T119 PolarHBondContact O-OG1 3.13Å; T115-D296 VanDerWaalsContact CG2-OD1 3.27Å; T115-D296 WeakPolarHBondContact CG2-OD1 3.09Å; T115-D296 PolarHBondContact N-OD2 3.43Å; T115-D296 VanDerWaalsContact OG1-CG 3.27Å; T115-D296 PolarHBondContact OG1-OD1 2.82Å; T115-D296 PolarHBondContact OG1-OD2 3.49Å; T115-D296 VanDerWaalsContact OG1-OD2 3.1Å
116Y96.1Very high95.4Very high66 Ų6641.4 Ų41.426%0.25922%0.216SC..Hα-helixtrans-62-32.7173.7-71.8-15.7000112.8T118 T119 F120 A220 P249 N250 F251 L287Y116-T118 PolarHBondContact O-N 3.46Å; Y116-T119 PolarHBondContact O-N 2.91Å; Y116-F120 AromaticContact CD1-CE2 3.85Å; Y116-F120 HydrophobicContact CD1-CE2 3.85Å; Y116-F120 HydrophobicContact CD1-CZ 4.25Å; Y116-F120 HydrophobicContact CD2-CE2 4Å; Y116-F120 HydrophobicContact CE1-CE2 4.46Å; Y116-F120 HydrophobicContact CE1-CZ 4.49Å; Y116-F120 HydrophobicContact CG-CD2 4.22Å; Y116-F120 AromaticContact CG-CE2 3.59Å; Y116-F120 HydrophobicContact CG-CE2 3.59Å; Y116-F120 HydrophobicContact CG-CZ 4.39Å; Y116-F120 WeakPolarHBondContact O-CD2 2.77Å; Y116-F120 PolarHBondContact O-N 3.31Å; Y116-F120 VanDerWaalsContact O-N 3.09Å; Y116-A220 HydrophobicContact CE1-CB 4.16Å; Y116-P249 PolarHBondContact OH-O 3.44Å; Y116-N250 PolarHBondContact OH-O 3.48Å; Y116-F251 HydrophobicContact CE1-CD2 4.29Å; Y116-F251 AromaticContact CE1-CE2 3.97Å; Y116-F251 HydrophobicContact CE1-CE2 3.97Å; Y116-F251 HydrophobicContact CE1-CZ 4.29Å; Y116-F251 WeakPolarHBondContact OH-CD2 2.87Å; Y116-L287 HydrophobicContact CD2-CD1 4.13Å
117S96Very high95.6Very high22 Ų2240.6 Ų40.615%0.15421%0.211CC..Hα-helixtrans-68.2-17.8175.168.20000114.1T115 P121 E293T115-S117 PolarHBondContact O-N 3.25Å; T115-S117 PolarHBondContact OG1-OG 3.29Å; S117-P121 WeakPolarHBondContact O-CD 3.43Å; S117-P121 VanDerWaalsContact O-CG 3.31Å; S117-P121 WeakPolarHBondContact O-CG 3.49Å; S117-E293 WeakPolarHBondContact CB-OE2 3.48Å; S117-E293 PolarHBondContact OG-OE2 3.45Å
118T96.8Very high95.9Very high0 Ų038.2 Ų38.20%020%0.197CC..Hα-helixtrans-95-43.2168-67.60000112F114 T115 Y116 L122 Y295 D296 W297F114-T118 HydrophobicContact CB-CG2 3.79Å; F114-T118 HydrophobicContact CD1-CG2 3.89Å; F114-T118 HydrophobicContact CD2-CG2 4.07Å; F114-T118 HydrophobicContact CG-CG2 3.66Å; T115-T118 PolarHBondContact O-N 3.24Å; T115-T118 VanDerWaalsContact O-N 3.11Å; T115-T118 PolarHBondContact OG1-N 3.42Å; Y116-T118 PolarHBondContact O-N 3.46Å; T118-L122 HydrophobicContact CG2-CD1 3.61Å; T118-L122 HydrophobicContact CG2-CG 4.36Å; T118-L122 WeakPolarHBondContact O-CB 3.18Å; T118-L122 WeakPolarHBondContact O-CD1 3.14Å; T118-L122 WeakPolarHBondContact O-CG 3.46Å; T118-L122 PolarHBondContact O-N 2.95Å; T118-Y295 HydrophobicContact CG2-CD1 3.8Å; T118-Y295 WeakPolarHBondContact OG1-CA 3.47Å; T118-D296 WeakPolarHBondContact CB-OD2 3.49Å; T118-D296 PolarHBondContact OG1-N 2.83Å; T118-D296 PolarHBondContact OG1-OD1 3.21Å; T118-D296 PolarHBondContact OG1-OD2 2.99Å; T118-W297 HydrophobicContact CG2-CE3 4.35Å; T118-W297 HydrophobicContact CG2-CH2 4.08Å; T118-W297 HydrophobicContact CG2-CZ3 3.62Å
119T97.3Very high96.2Very high0 Ų033.3 Ų33.30%018%0.178CC..Hα-helixtrans-63.9-50.3-171.5-59.80000112.6F114 T115 Y116 L122 F123 L216 M219 A220F114-T119 WeakPolarHBondContact CB-OG1 3.32Å; T115-T119 VanDerWaalsContact O-CB 3.29Å; T115-T119 WeakPolarHBondContact O-CB 3.45Å; T115-T119 PolarHBondContact O-N 2.93Å; T115-T119 PolarHBondContact O-OG1 3.13Å; Y116-T119 PolarHBondContact O-N 2.91Å; T119-L122 PolarHBondContact O-N 3.28Å; T119-F123 WeakPolarHBondContact O-CB 3.35Å; T119-F123 PolarHBondContact O-N 3.13Å; T119-L216 HydrophobicContact CG2-CD1 3.3Å; T119-M219 HydrophobicContact CG2-CB 4.47Å; T119-A220 HydrophobicContact CG2-CB 4.09Å
120F97.9Very high96.6Very high0 Ų032.9 Ų32.90%018%0.175CC..Hα-helixtrans-70.8-42.2-174.1-68.1-56000113.2Y116 L122 F123 L124 L216 F251 M255 V280 V283 L284 L287 I289Y116-F120 AromaticContact CD1-CE2 3.85Å; Y116-F120 HydrophobicContact CD1-CE2 3.85Å; Y116-F120 HydrophobicContact CD1-CZ 4.25Å; Y116-F120 HydrophobicContact CD2-CE2 4Å; Y116-F120 HydrophobicContact CE1-CE2 4.46Å; Y116-F120 HydrophobicContact CE1-CZ 4.49Å; Y116-F120 HydrophobicContact CG-CD2 4.22Å; Y116-F120 AromaticContact CG-CE2 3.59Å; Y116-F120 HydrophobicContact CG-CE2 3.59Å; Y116-F120 HydrophobicContact CG-CZ 4.39Å; Y116-F120 WeakPolarHBondContact O-CD2 2.77Å; Y116-F120 PolarHBondContact O-N 3.31Å; Y116-F120 VanDerWaalsContact O-N 3.09Å; F120-L122 VanDerWaalsContact C-N 3.32Å; F120-L122 PolarHBondContact O-N 3.1Å; F120-F123 PolarHBondContact O-N 3.34Å; F120-L124 PolarHBondContact O-N 3.36Å; F120-L216 HydrophobicContact CD1-CD1 4.4Å; F120-L216 HydrophobicContact CE1-CD1 4.42Å; F120-F251 AromaticContact CE1-CD1 4Å; F120-F251 HydrophobicContact CE1-CD1 4Å; F120-F251 AromaticContact CE1-CE1 3.83Å; F120-F251 HydrophobicContact CE1-CE1 3.83Å; F120-F251 AromaticContact CZ-CD1 3.9Å; F120-F251 HydrophobicContact CZ-CD1 3.9Å; F120-F251 AromaticContact CZ-CE1 3.96Å; F120-F251 HydrophobicContact CZ-CE1 3.96Å; F120-M255 HydrophobicContact CD1-SD 4.29Å; F120-M255 HydrophobicContact CE1-CE 4.37Å; F120-M255 HydrophobicContact CE1-CG 3.77Å; F120-M255 HydrophobicContact CE1-SD 3.83Å; F120-M255 HydrophobicContact CZ-CG 4.16Å; F120-V280 HydrophobicContact CB-CG1 4.4Å; F120-V283 HydrophobicContact CD1-CG1 4.37Å; F120-V283 HydrophobicContact CD2-CG1 3.64Å; F120-V283 HydrophobicContact CE1-CG1 4.31Å; F120-V283 HydrophobicContact CE2-CG1 3.55Å; F120-V283 HydrophobicContact CG-CG1 4.07Å; F120-V283 HydrophobicContact CZ-CG1 3.92Å; F120-L284 HydrophobicContact CB-CD2 3.64Å; F120-L284 HydrophobicContact CB-CG 4.43Å; F120-L287 HydrophobicContact CD2-CD1 4.26Å; F120-L287 HydrophobicContact CE2-CD1 3.97Å; F120-I289 HydrophobicContact CD2-CD1 4.48Å
121P97.8Very high97.2Very high13 Ų1328.4 Ų28.48%0.08414%0.142CC..Hα-helixtrans-63.2-35.9173.7-25.736.9000113.2S117 L124 Q125 L284 I289 Y295S117-P121 WeakPolarHBondContact O-CD 3.43Å; S117-P121 VanDerWaalsContact O-CG 3.31Å; S117-P121 WeakPolarHBondContact O-CG 3.49Å; P121-L124 PolarHBondContact O-N 3.48Å; P121-Q125 PolarHBondContact O-N 2.97Å; P121-L284 HydrophobicContact CG-CD2 3.86Å; P121-I289 HydrophobicContact CG-CG2 4.14Å; P121-Y295 HydrophobicContact CB-CE1 4.13Å
122L98.2Very high97.5Very high1 Ų125 Ų251%0.00512%0.119CC..Hα-helixtrans-66.3-43.3173-68.7173.3000111.9L102 F114 T118 T119 F120 L124 Q125 C126 V159 Y295 W297L102-L122 HydrophobicContact CD2-CD1 4.19Å; L102-L122 HydrophobicContact CD2-CD2 4.07Å; F114-L122 HydrophobicContact CD2-CD1 4.12Å; F114-L122 HydrophobicContact CE2-CD1 4.09Å; T118-L122 HydrophobicContact CG2-CD1 3.61Å; T118-L122 HydrophobicContact CG2-CG 4.36Å; T118-L122 WeakPolarHBondContact O-CB 3.18Å; T118-L122 WeakPolarHBondContact O-CD1 3.14Å; T118-L122 WeakPolarHBondContact O-CG 3.46Å; T118-L122 PolarHBondContact O-N 2.95Å; T119-L122 PolarHBondContact O-N 3.28Å; F120-L122 VanDerWaalsContact C-N 3.32Å; F120-L122 PolarHBondContact O-N 3.1Å; L122-L124 VanDerWaalsContact C-N 3.28Å; L122-L124 PolarHBondContact O-N 2.67Å; L122-Q125 PolarHBondContact O-N 3.44Å; L122-C126 PolarHBondContact O-N 2.8Å; L122-C126 PolarHBondContact O-SG 3.4Å; L122-V159 HydrophobicContact CD2-CG2 3.62Å; L122-Y295 HydrophobicContact CD2-CE1 4.06Å; L122-Y295 HydrophobicContact CG-CE1 4.03Å; L122-W297 HydrophobicContact CD1-CH2 3.63Å; L122-W297 HydrophobicContact CD1-CZ3 3.96Å; L122-W297 HydrophobicContact CD2-CH2 3.89Å; L122-W297 HydrophobicContact CD2-CZ2 4.48Å; L122-W297 HydrophobicContact CG-CH2 4.23Å
123F98.5Very high97.8Very high0 Ų020.7 Ų20.70%010%0.1CC..Hα-helixtrans-59-41.8177.4-177.7-114.8000111.4T119 F120 C126 I127 L212 I213 L216 M255 V280T119-F123 WeakPolarHBondContact O-CB 3.35Å; T119-F123 PolarHBondContact O-N 3.13Å; F120-F123 PolarHBondContact O-N 3.34Å; F123-C126 PolarHBondContact O-N 3.25Å; F123-I127 HydrophobicContact CD1-CD1 3.75Å; F123-I127 HydrophobicContact CE1-CD1 3.54Å; F123-I127 HydrophobicContact CE1-CG1 4.36Å; F123-I127 HydrophobicContact CG-CD1 4.36Å; F123-I127 HydrophobicContact CZ-CD1 4.02Å; F123-I127 HydrophobicContact CZ-CG1 4.39Å; F123-I127 VanDerWaalsContact O-CG1 3.3Å; F123-I127 WeakPolarHBondContact O-CG1 3.32Å; F123-I127 PolarHBondContact O-N 3Å; F123-L212 HydrophobicContact CD2-CD1 4.35Å; F123-L212 HydrophobicContact CD2-CD2 4.01Å; F123-L212 HydrophobicContact CD2-CG 3.89Å; F123-L212 HydrophobicContact CE2-CB 4.5Å; F123-L212 HydrophobicContact CE2-CD1 4.5Å; F123-L212 HydrophobicContact CE2-CD2 3.72Å; F123-L212 HydrophobicContact CE2-CG 3.59Å; F123-L212 HydrophobicContact CZ-CD2 4.44Å; F123-I213 HydrophobicContact CE2-CD1 4.21Å; F123-I213 HydrophobicContact CZ-CD1 3.73Å; F123-L216 HydrophobicContact CB-CD1 3.79Å; F123-L216 HydrophobicContact CD1-CD1 4.32Å; F123-L216 HydrophobicContact CD1-CD2 4.15Å; F123-L216 HydrophobicContact CD2-CB 3.67Å; F123-L216 HydrophobicContact CD2-CD1 3.86Å; F123-L216 HydrophobicContact CD2-CD2 3.95Å; F123-L216 HydrophobicContact CD2-CG 4.04Å; F123-L216 HydrophobicContact CE1-CD2 4Å; F123-L216 HydrophobicContact CE2-CB 3.77Å; F123-L216 HydrophobicContact CE2-CD1 4.48Å; F123-L216 HydrophobicContact CE2-CD2 3.74Å; F123-L216 HydrophobicContact CE2-CG 4.21Å; F123-L216 HydrophobicContact CG-CB 4.43Å; F123-L216 HydrophobicContact CG-CD1 3.75Å; F123-L216 HydrophobicContact CG-CD2 4.14Å; F123-L216 HydrophobicContact CG-CG 4.34Å; F123-L216 HydrophobicContact CZ-CD2 3.8Å; F123-M255 HydrophobicContact CD1-CE 4.3Å; F123-M255 HydrophobicContact CE1-CE 3.7Å; F123-M255 HydrophobicContact CZ-CE 4.26Å; F123-V280 HydrophobicContact CD1-CG1 4.41Å; F123-V280 HydrophobicContact CD1-CG2 3.66Å; F123-V280 HydrophobicContact CE1-CG2 3.65Å
124L98.4Very high97.9Very high22 Ų2216 Ų1612%0.1158%0.08CC..Hα-helixtrans-57-51.7174.4-170.369000111.5F120 P121 L122 C126 I127 E128 M277 V280 L284F120-L124 PolarHBondContact O-N 3.36Å; P121-L124 PolarHBondContact O-N 3.48Å; L122-L124 VanDerWaalsContact C-N 3.28Å; L122-L124 PolarHBondContact O-N 2.67Å; L124-C126 VanDerWaalsContact C-N 3.3Å; L124-C126 PolarHBondContact O-N 2.78Å; L124-I127 WeakPolarHBondContact O-CB 3.44Å; L124-I127 PolarHBondContact O-N 3.24Å; L124-I127 VanDerWaalsContact O-N 3.11Å; L124-E128 WeakPolarHBondContact O-CG 3.15Å; L124-E128 PolarHBondContact O-N 3.41Å; L124-M277 HydrophobicContact CD1-CB 3.72Å; L124-M277 HydrophobicContact CD1-CG 3.71Å; L124-M277 HydrophobicContact CD1-SD 4.34Å; L124-V280 HydrophobicContact CB-CG1 4.24Å; L124-V280 HydrophobicContact CD1-CB 4.25Å; L124-V280 HydrophobicContact CD1-CG1 4.21Å; L124-L284 HydrophobicContact CD2-CD1 4.46Å
125Q98.6Very high98Very high22 Ų2220 Ų2010%0.10310%0.102CC..Hα-helixtrans-64.2-33.4177.9-67.9-165.36000113.1H77 P121 L122 I127 E128 A129 R157 V159 Y295H77-Q125 PolarHBondContact CE1-OE1 3.34Å; P121-Q125 PolarHBondContact O-N 2.97Å; L122-Q125 PolarHBondContact O-N 3.44Å; Q125-I127 VanDerWaalsContact C-N 3.34Å; Q125-E128 WeakPolarHBondContact O-CB 3.12Å; Q125-E128 PolarHBondContact O-N 3.48Å; Q125-A129 WeakPolarHBondContact O-CB 3.26Å; Q125-A129 PolarHBondContact O-N 3.4Å; Q125-R157 PolarHBondContact NE2-O 3.38Å; Q125-R157 PolarHBondContact OE1-O 3.46Å; Q125-V159 HydrophobicContact CB-CB 3.88Å; Q125-V159 HydrophobicContact CB-CG2 3.85Å; Q125-V159 HydrophobicContact CG-CG2 4.48Å; Q125-Y295 PolarHBondContact NE2-OH 3.36Å
126C98.9Very high98Very high1 Ų119.1 Ų19.11%0.00710%0.096CC..Hα-helixtrans-67-35.4174.2-68.60000112L122 F123 L124 A129 I130 F148 L212L122-C126 PolarHBondContact O-N 2.8Å; L122-C126 PolarHBondContact O-SG 3.4Å; F123-C126 PolarHBondContact O-N 3.25Å; L124-C126 VanDerWaalsContact C-N 3.3Å; L124-C126 PolarHBondContact O-N 2.78Å; C126-A129 PolarHBondContact O-N 3.19Å; C126-I130 WeakPolarHBondContact O-CG1 3.3Å; C126-I130 PolarHBondContact O-N 3.27Å; C126-F148 HydrophobicContact CB-CD1 4.4Å; C126-F148 HydrophobicContact CB-CE1 3.99Å; C126-F148 HydrophobicContact CB-CZ 4.07Å; C126-L212 HydrophobicContact CB-CD1 3.5Å; C126-L212 VanDerWaalsContact CB-CD1 3.5Å; C126-L212 HydrophobicContact CB-CD2 4.05Å; C126-L212 HydrophobicContact CB-CG 4.41Å
127I98.9Very high98.1Very high0 Ų016.3 Ų16.30%09%0.088CC..Hα-helixtrans-63.2-47.3172.3-64.2159.1000109.8F123 L124 Q125 A129 I130 K131 M209 L212 Y273 I276 M277 V280F123-I127 HydrophobicContact CD1-CD1 3.75Å; F123-I127 HydrophobicContact CE1-CD1 3.54Å; F123-I127 HydrophobicContact CE1-CG1 4.36Å; F123-I127 HydrophobicContact CG-CD1 4.36Å; F123-I127 HydrophobicContact CZ-CD1 4.02Å; F123-I127 HydrophobicContact CZ-CG1 4.39Å; F123-I127 VanDerWaalsContact O-CG1 3.3Å; F123-I127 WeakPolarHBondContact O-CG1 3.32Å; F123-I127 PolarHBondContact O-N 3Å; L124-I127 WeakPolarHBondContact O-CB 3.44Å; L124-I127 PolarHBondContact O-N 3.24Å; L124-I127 VanDerWaalsContact O-N 3.11Å; Q125-I127 VanDerWaalsContact C-N 3.34Å; I127-A129 VanDerWaalsContact C-N 3.32Å; I127-A129 PolarHBondContact O-N 3.35Å; I127-I130 PolarHBondContact O-N 3.23Å; I127-K131 WeakPolarHBondContact O-CB 3.05Å; I127-K131 PolarHBondContact O-N 2.88Å; I127-M209 HydrophobicContact CG1-CE 4.27Å; I127-M209 HydrophobicContact CG2-CE 4.45Å; I127-L212 HydrophobicContact CG1-CD2 3.65Å; I127-Y273 HydrophobicContact CG2-CD1 4.1Å; I127-I276 HydrophobicContact CD1-CG2 3.64Å; I127-I276 HydrophobicContact CG1-CG2 4.48Å; I127-M277 HydrophobicContact CB-CG 4.24Å; I127-M277 HydrophobicContact CD1-CG 4.38Å; I127-M277 HydrophobicContact CG2-CG 3.67Å; I127-M277 HydrophobicContact CG2-SD 4.08Å; I127-V280 HydrophobicContact CD1-CG2 4.15Å
128E98.8Very high98.2Very high55 Ų5515.5 Ų15.526%0.2578%0.081SC..Hα-helixtrans-55.3-48.2175.9-65.6179153.700110.9K76 H77 L124 Q125 K131 E132 M277K76-E128 IonicContact NZ-OE2 2.74Å; K76-E128 PolarHBondContact NZ-OE2 2.78Å; H77-E128 IonicContact CE1-OE2 3.7Å; H77-E128 PolarHBondContact CE1-OE2 3.5Å; H77-E128 VanDerWaalsContact CE1-OE2 3.31Å; H77-E128 WeakPolarHBondContact NE2-CB 3.36Å; H77-E128 IonicContact NE2-OE2 2.67Å; H77-E128 PolarHBondContact NE2-OE2 3.45Å; L124-E128 WeakPolarHBondContact O-CG 3.15Å; L124-E128 PolarHBondContact O-N 3.41Å; Q125-E128 WeakPolarHBondContact O-CB 3.12Å; Q125-E128 PolarHBondContact O-N 3.48Å; E128-K131 WeakPolarHBondContact O-CB 3.4Å; E128-K131 PolarHBondContact O-N 2.73Å; E128-E132 WeakPolarHBondContact O-CG 3.43Å; E128-E132 PolarHBondContact O-N 3.41Å; E128-M277 HydrophobicContact CG-SD 3.92Å
129A98.8Very high98.3Very high0 Ų015.5 Ų15.50%08%0.081CC..Hα-helixtrans-61.8-45.5179.600000113.2H77 Q125 C126 I127 K131 E132 V133 F148 I161H77-A129 HydrophobicContact CB-CB 3.42Å; H77-A129 VanDerWaalsContact CB-CB 3.42Å; Q125-A129 WeakPolarHBondContact O-CB 3.26Å; Q125-A129 PolarHBondContact O-N 3.4Å; C126-A129 PolarHBondContact O-N 3.19Å; I127-A129 VanDerWaalsContact C-N 3.32Å; I127-A129 PolarHBondContact O-N 3.35Å; A129-K131 VanDerWaalsContact C-N 3.34Å; A129-E132 PolarHBondContact O-N 3.08Å; A129-V133 WeakPolarHBondContact O-CG2 3.5Å; A129-V133 PolarHBondContact O-N 2.87Å; A129-F148 HydrophobicContact CB-CE1 4.12Å; A129-I161 HydrophobicContact CB-CB 4.07Å; A129-I161 HydrophobicContact CB-CG2 4.03Å
130I98.9Very high98.3Very high1 Ų115.6 Ų15.61%0.0058%0.082CC..Hα-helixtrans-64.8-41.3176.6-70.9177.9000110.5C126 I127 E132 V133 H134 V143 F148 I161 D208 M209 L212C126-I130 WeakPolarHBondContact O-CG1 3.3Å; C126-I130 PolarHBondContact O-N 3.27Å; I127-I130 PolarHBondContact O-N 3.23Å; I130-E132 VanDerWaalsContact C-N 3.32Å; I130-E132 PolarHBondContact O-N 2.71Å; I130-V133 WeakPolarHBondContact O-CB 3.2Å; I130-V133 PolarHBondContact O-N 2.73Å; I130-V133 VanDerWaalsContact O-N 3.13Å; I130-H134 WeakPolarHBondContact CG2-CE1 3.48Å; I130-H134 PolarHBondContact O-CD2 3.45Å; I130-H134 PolarHBondContact O-N 3.46Å; I130-V143 HydrophobicContact CD1-CB 4.49Å; I130-V143 HydrophobicContact CD1-CG1 3.79Å; I130-V143 HydrophobicContact CD1-CG2 3.84Å; I130-V143 HydrophobicContact CG1-CG2 4.31Å; I130-F148 HydrophobicContact CD1-CZ 4.24Å; I130-F148 HydrophobicContact CG1-CZ 4.13Å; I130-I161 HydrophobicContact CG1-CD1 4.29Å; I130-D208 HydrophobicContact CG2-CB 4.3Å; I130-M209 HydrophobicContact CD1-SD 4.45Å; I130-M209 HydrophobicContact CG2-SD 3.86Å; I130-L212 HydrophobicContact CD1-CB 3.91Å; I130-L212 HydrophobicContact CD1-CD1 4.26Å; I130-L212 HydrophobicContact CD1-CD2 3.81Å; I130-L212 HydrophobicContact CD1-CG 4.16Å
131K98.8Very high98.3Very high41 Ų4117.3 Ų17.318%0.1789%0.088CC..Hα-helixtrans-57.5-45.2175.8-175.6-172-175.3-45.80111.1I127 E128 A129 V133 H134 D135 Y273 E274I127-K131 WeakPolarHBondContact O-CB 3.05Å; I127-K131 PolarHBondContact O-N 2.88Å; E128-K131 WeakPolarHBondContact O-CB 3.4Å; E128-K131 PolarHBondContact O-N 2.73Å; A129-K131 VanDerWaalsContact C-N 3.34Å; K131-V133 VanDerWaalsContact C-N 3.26Å; K131-V133 PolarHBondContact O-N 2.93Å; K131-H134 PolarHBondContact O-N 3.02Å; K131-H134 VanDerWaalsContact O-N 3.1Å; K131-D135 IonicContact NZ-OD1 3.65Å; K131-D135 PolarHBondContact NZ-OD1 3.34Å; K131-D135 IonicContact NZ-OD2 2.69Å; K131-D135 PolarHBondContact NZ-OD2 2.97Å; K131-D135 WeakPolarHBondContact O-CB 3.36Å; K131-D135 PolarHBondContact O-N 3.41Å; K131-Y273 HydrophobicContact CB-CD1 3.84Å; K131-Y273 HydrophobicContact CB-CD2 4.28Å; K131-Y273 HydrophobicContact CB-CE1 4.11Å; K131-Y273 HydrophobicContact CB-CG 3.94Å; K131-Y273 HydrophobicContact CD-CD2 3.96Å; K131-Y273 HydrophobicContact CD-CG 3.92Å; K131-Y273 HydrophobicContact CG-CD1 4.15Å; K131-Y273 HydrophobicContact CG-CD2 3.66Å; K131-Y273 HydrophobicContact CG-CE1 4.46Å; K131-Y273 HydrophobicContact CG-CE2 3.99Å; K131-Y273 HydrophobicContact CG-CG 3.76Å; K131-E274 WeakPolarHBondContact CE-OE1 3.2Å
132E98.6Very high98.3Very high25 Ų2517.5 Ų17.512%0.1179%0.089CC..Hα-helixtrans-56-41177.1-70.7-179147.200111.9L72 K75 K76 H77 E128 A129 I130L72-E132 HydrophobicContact CD2-CB 4.25Å; L72-E132 WeakPolarHBondContact CD2-O 3.45Å; K75-E132 HydrophobicContact CB-CG 4.33Å; K75-E132 WeakPolarHBondContact CB-OE1 3.36Å; K75-E132 HydrophobicContact CD-CG 4.13Å; K75-E132 HydrophobicContact CG-CB 4.44Å; K75-E132 HydrophobicContact CG-CG 4.44Å; K76-E132 PolarHBondContact N-OE1 2.79Å; H77-E132 WeakPolarHBondContact CB-OE2 3.3Å; H77-E132 IonicContact CD2-OE1 3.92Å; H77-E132 IonicContact CD2-OE2 3.15Å; H77-E132 IonicContact CG-OE2 2.75Å; H77-E132 PolarHBondContact N-OE2 3.27Å; E128-E132 WeakPolarHBondContact O-CG 3.43Å; E128-E132 PolarHBondContact O-N 3.41Å; A129-E132 PolarHBondContact O-N 3.08Å; I130-E132 VanDerWaalsContact C-N 3.32Å; I130-E132 PolarHBondContact O-N 2.71Å
133V98.7Very high98.3Very high0 Ų017.5 Ų17.50%09%0.089CC..Hα-helixtrans-66.2-43.3175.7-178.90000111.9L72 A129 I130 K131 V136 Y138 I161 F164L72-V133 HydrophobicContact CD1-CG2 4.01Å; A129-V133 WeakPolarHBondContact O-CG2 3.5Å; A129-V133 PolarHBondContact O-N 2.87Å; I130-V133 WeakPolarHBondContact O-CB 3.2Å; I130-V133 PolarHBondContact O-N 2.73Å; I130-V133 VanDerWaalsContact O-N 3.13Å; K131-V133 VanDerWaalsContact C-N 3.26Å; K131-V133 PolarHBondContact O-N 2.93Å; V133-V136 WeakPolarHBondContact O-CG2 3.37Å; V133-V136 PolarHBondContact O-N 3.27Å; V133-Y138 CarbonylContact C-O 3.57Å; V133-Y138 PolarHBondContact O-N 3.03Å; V133-Y138 VanDerWaalsContact O-O 3.12Å; V133-I161 HydrophobicContact CG2-CD1 4.2Å; V133-I161 HydrophobicContact CG2-CG2 4.32Å; V133-F164 HydrophobicContact CG2-CE1 3.67Å; V133-F164 HydrophobicContact CG2-CZ 4.36Å
134H98.5Very high98.3Very high3 Ų319.1 Ų19.11%0.01410%0.096CC..Hα-helixtrans-68.9-37.7-179-67177.2000112I130 K131 V136 G137 Y138 Y170 P205 D208 Y273I130-H134 WeakPolarHBondContact CG2-CE1 3.48Å; I130-H134 PolarHBondContact O-CD2 3.45Å; I130-H134 PolarHBondContact O-N 3.46Å; K131-H134 PolarHBondContact O-N 3.02Å; K131-H134 VanDerWaalsContact O-N 3.1Å; H134-V136 PolarHBondContact O-N 2.88Å; H134-G137 WeakPolarHBondContact O-CA 3.46Å; H134-G137 PolarHBondContact O-N 3.33Å; H134-Y138 WeakPolarHBondContact CA-O 3.34Å; H134-Y138 PolarHBondContact CD2-O 2.91Å; H134-Y170 PolarHBondContact O-OH 2.67Å; H134-P205 VanDerWaalsContact CE1-CA 3.44Å; H134-P205 WeakPolarHBondContact CE1-CA 3.29Å; H134-P205 PolarHBondContact CE1-O 3.49Å; H134-D208 IonicContact CE1-OD2 3.88Å; H134-D208 IonicContact NE2-OD2 3.82Å; H134-D208 PolarHBondContact NE2-OD2 2.88Å; H134-D208 VanDerWaalsContact NE2-OD2 3.07Å; H134-Y273 WeakPolarHBondContact CB-OH 3.39Å; H134-Y273 AromaticContact ND1-CE1 3.89Å; H134-Y273 AromaticContact ND1-CZ 3.61Å; H134-Y273 PolarHBondContact ND1-OH 3.42Å
135D97.1Very high98.3Very high89 Ų8918.1 Ų18.148%0.4769%0.09SC..Hα-helixtrans-59.3-31.6177.4-74.4-11.3000112.3K131 G137K131-D135 IonicContact NZ-OD1 3.65Å; K131-D135 PolarHBondContact NZ-OD1 3.34Å; K131-D135 IonicContact NZ-OD2 2.69Å; K131-D135 PolarHBondContact NZ-OD2 2.97Å; K131-D135 WeakPolarHBondContact O-CB 3.36Å; K131-D135 PolarHBondContact O-N 3.41Å; D135-G137 VanDerWaalsContact C-N 3.27Å; D135-G137 PolarHBondContact O-N 2.98Å
136V97.1Very high98.2Very high40 Ų4019.2 Ų19.224%0.24210%0.103CC..THydrogen-bonded Turntrans-86.88.2175.7-58.10000113.6L71 L72 V133 H134 Y138L71-V136 HydrophobicContact CB-CB 4.23Å; L71-V136 HydrophobicContact CB-CG1 4.38Å; L71-V136 HydrophobicContact CB-CG2 4.39Å; L72-V136 HydrophobicContact CD2-CB 4.41Å; L72-V136 HydrophobicContact CD2-CG1 3.8Å; L72-V136 HydrophobicContact CD2-CG2 3.67Å; L72-V136 HydrophobicContact CG-CG2 4.03Å; V133-V136 WeakPolarHBondContact O-CG2 3.37Å; V133-V136 PolarHBondContact O-N 3.27Å; H134-V136 PolarHBondContact O-N 2.88Å; V136-Y138 HydrophobicContact CG2-CD2 4.26Å; V136-Y138 WeakPolarHBondContact O-CD2 3.27Å
137G97.5Very high98.1Very high8 Ų819.8 Ų19.88%0.08211%0.106CC..THydrogen-bonded Turntrans8319.3173.800000114.9H134 D135 Q169 Y170 R171H134-G137 WeakPolarHBondContact O-CA 3.46Å; H134-G137 PolarHBondContact O-N 3.33Å; D135-G137 VanDerWaalsContact C-N 3.27Å; D135-G137 PolarHBondContact O-N 2.98Å; G137-Q169 WeakPolarHBondContact O-CA 3.44Å; G137-Q169 WeakPolarHBondContact O-CG 3.48Å; G137-Y170 WeakPolarHBondContact O-CD1 3.46Å; G137-Y170 PolarHBondContact O-N 3.23Å; G137-R171 PolarHBondContact O-N 3.05Å
138Y98.2Very high98.1Very high4 Ų419.9 Ų19.92%0.01611%0.106CC..EExtended strand (participates in β ladder)trans-115.3157.9177.6-77.5-101.4000111.9M64 R67 V68 L71 V133 H134 V136 R168 Q169 Y170M64-Y138 HydrophobicContact SD-CE1 3.79Å; R67-Y138 WeakPolarHBondContact CD-OH 3.29Å; R67-Y138 PolarHBondContact NE-OH 3.41Å; V68-Y138 HydrophobicContact CG2-CD1 3.53Å; V68-Y138 HydrophobicContact CG2-CE1 3.71Å; V68-Y138 HydrophobicContact CG2-CG 3.97Å; L71-Y138 HydrophobicContact CD1-CD2 4.13Å; L71-Y138 HydrophobicContact CD1-CE2 3.48Å; L71-Y138 VanDerWaalsContact CD1-CE2 3.48Å; V133-Y138 CarbonylContact C-O 3.57Å; V133-Y138 PolarHBondContact O-N 3.03Å; V133-Y138 VanDerWaalsContact O-O 3.12Å; H134-Y138 WeakPolarHBondContact CA-O 3.34Å; H134-Y138 PolarHBondContact CD2-O 2.91Å; V136-Y138 HydrophobicContact CG2-CD2 4.26Å; V136-Y138 WeakPolarHBondContact O-CD2 3.27Å; Y138-R168 CarbonylContact C-O 3.56Å; Y138-R168 WeakPolarHBondContact CA-O 3.47Å; Y138-R168 VanDerWaalsContact CD1-C 3.5Å; Y138-Q169 HydrophobicContact CD1-CB 4.04Å; Y138-Q169 HydrophobicContact CE1-CB 3.61Å; Y138-Q169 HydrophobicContact CE1-CG 4.42Å; Y138-Q169 HydrophobicContact CE2-CB 4.13Å; Y138-Q169 HydrophobicContact CE2-CG 4.05Å; Y138-Q169 HydrophobicContact CG-CB 4.49Å; Y138-Y170 WeakPolarHBondContact O-CE1 3.24Å
139I98.4Very high98.1Very high1 Ų117.3 Ų17.31%0.0059%0.094CC..EExtended strand (participates in β ladder)trans-119.7146.1166.252.6166.6000108.5R141 S167 R168 Y170 L203 P205 D208I139-R141 HydrophobicContact CB-CG 4.42Å; I139-R141 HydrophobicContact CD1-CG 3.6Å; I139-R141 HydrophobicContact CG1-CG 3.81Å; I139-S167 CarbonylContact O-C 3.49Å; I139-S167 WeakPolarHBondContact O-CA 3.29Å; I139-S167 VanDerWaalsContact O-CB 3.23Å; I139-S167 WeakPolarHBondContact O-CB 3.43Å; I139-R168 HydrophobicContact CD1-CB 4.48Å; I139-R168 HydrophobicContact CG1-CB 4.1Å; I139-R168 VanDerWaalsContact CG1-O 3.27Å; I139-R168 WeakPolarHBondContact CG1-O 3.48Å; I139-R168 PolarHBondContact N-O 3.41Å; I139-R168 PolarHBondContact O-N 3.06Å; I139-Y170 HydrophobicContact CG2-CD1 3.72Å; I139-Y170 HydrophobicContact CG2-CE1 4.18Å; I139-Y170 HydrophobicContact CG2-CG 4.06Å; I139-L203 HydrophobicContact CD1-CB 3.92Å; I139-L203 WeakPolarHBondContact CD1-O 3.48Å; I139-P205 HydrophobicContact CG2-CG 3.94Å; I139-D208 WeakPolarHBondContact CA-OD2 3.25Å; I139-D208 WeakPolarHBondContact CB-OD2 3.45Å
140H98.3Very high98.1Very high2 Ų217.5 Ų17.51%0.00910%0.095CC..  trans-74.1-50-176-165.5-89.3000112.1D142 V143 L162 D163 F164 S167 D208H140-D142 VanDerWaalsContact C-N 3.27Å; H140-D142 PolarHBondContact ND1-N 2.73Å; H140-D142 PolarHBondContact ND1-O 2.75Å; H140-D142 PolarHBondContact O-N 2.83Å; H140-V143 HydrophobicContact CB-CG2 3.95Å; H140-L162 PolarHBondContact CE1-O 2.82Å; H140-L162 PolarHBondContact NE2-O 3.35Å; H140-D163 PolarHBondContact CE1-O 3.35Å; H140-D163 PolarHBondContact NE2-O 3.4Å; H140-F164 AromaticContact CD2-CD1 3.64Å; H140-F164 AromaticContact CD2-CE1 3.76Å; H140-F164 AromaticContact NE2-CD1 3.99Å; H140-S167 WeakPolarHBondContact O-CA 3.47Å; H140-D208 PolarHBondContact N-OD2 3.45Å
141R97.8Very high98Very high35 Ų3517.5 Ų17.513%0.13210%0.096CC..SBendtrans69.14.9-179-51.9-167.2-63.9159.91.6117.1I139 I166 C187 G188 L203 D208I139-R141 HydrophobicContact CB-CG 4.42Å; I139-R141 HydrophobicContact CD1-CG 3.6Å; I139-R141 HydrophobicContact CG1-CG 3.81Å; R141-I166 HydrophobicContact CB-CD1 4.45Å; R141-I166 HydrophobicContact CB-CG1 4.48Å; R141-I166 PolarHBondContact NE-O 3.18Å; R141-I166 PolarHBondContact NH2-O 3.07Å; R141-C187 HydrophobicContact CB-CB 4.29Å; R141-C187 PolarHBondContact NH1-SG 3.28Å; R141-G188 WeakPolarHBondContact O-CA 3.15Å; R141-G188 PolarHBondContact O-N 3.04Å; R141-L203 HydrophobicContact CB-CD1 4.45Å; R141-L203 HydrophobicContact CG-CD1 4.3Å; R141-D208 WeakPolarHBondContact CA-OD1 3.35Å; R141-D208 PolarHBondContact N-OD1 3.3Å
142D97.3Very high97.8Very high18 Ų1818.1 Ų18.110%0.09610%0.097CC..  trans-145.646.2173.4-162.331.8000111.5H140 K144 N147 I166 G188 T189H140-D142 VanDerWaalsContact C-N 3.27Å; H140-D142 PolarHBondContact ND1-N 2.73Å; H140-D142 PolarHBondContact ND1-O 2.75Å; H140-D142 PolarHBondContact O-N 2.83Å; D142-K144 PolarHBondContact O-N 3.3Å; D142-K144 IonicContact OD1-NZ 3.8Å; D142-K144 PolarHBondContact OD1-NZ 3.44Å; D142-K144 WeakPolarHBondContact OD2-CE 3.43Å; D142-K144 IonicContact OD2-NZ 3.21Å; D142-K144 PolarHBondContact OD2-NZ 3.26Å; D142-N147 PolarHBondContact O-ND2 2.82Å; D142-N147 PolarHBondContact OD2-ND2 2.62Å; D142-N147 VanDerWaalsContact OD2-ND2 3.08Å; D142-I166 HydrophobicContact CB-CD1 3.74Å; D142-I166 HydrophobicContact CB-CG1 4.12Å; D142-G188 VanDerWaalsContact OD1-CA 3.27Å; D142-G188 WeakPolarHBondContact OD1-CA 3.5Å; D142-T189 WeakPolarHBondContact OD1-CB 3.44Å; D142-T189 PolarHBondContact OD1-N 2.89Å; D142-T189 PolarHBondContact OD1-OG1 2.99Å
143V98.8Very high97.5Very high1 Ų117.8 Ų17.81%0.00610%0.101CC..  trans-67.1121.1176.5172.40000109.3I130 H140 F148 Y192 D208 L212I130-V143 HydrophobicContact CD1-CB 4.49Å; I130-V143 HydrophobicContact CD1-CG1 3.79Å; I130-V143 HydrophobicContact CD1-CG2 3.84Å; I130-V143 HydrophobicContact CG1-CG2 4.31Å; H140-V143 HydrophobicContact CB-CG2 3.95Å; V143-F148 HydrophobicContact CG1-CE2 3.81Å; V143-F148 HydrophobicContact CG1-CZ 4.13Å; V143-Y192 WeakPolarHBondContact O-CB 3.35Å; V143-D208 HydrophobicContact CG2-CB 3.81Å; V143-D208 WeakPolarHBondContact CG2-OD1 3.22Å; V143-L212 HydrophobicContact CG1-CB 3.92Å; V143-L212 HydrophobicContact CG1-CD1 4.13Å
144K98Very high97.1Very high34 Ų3423.8 Ų23.815%0.14814%0.143CC..SBendtrans-166.3159.7179.465.7-164.3-172.8-156.60110.9D142 A146 N147 F148 T189 Y192D142-K144 PolarHBondContact O-N 3.3Å; D142-K144 IonicContact OD1-NZ 3.8Å; D142-K144 PolarHBondContact OD1-NZ 3.44Å; D142-K144 WeakPolarHBondContact OD2-CE 3.43Å; D142-K144 IonicContact OD2-NZ 3.21Å; D142-K144 PolarHBondContact OD2-NZ 3.26Å; K144-A146 HydrophobicContact CG-CB 4.26Å; K144-A146 PolarHBondContact O-N 3.31Å; K144-N147 WeakPolarHBondContact CE-ND2 3.34Å; K144-N147 HydrophobicContact CG-CB 4.15Å; K144-N147 PolarHBondContact O-N 3.04Å; K144-F148 VanDerWaalsContact O-CD2 3.29Å; K144-F148 WeakPolarHBondContact O-CD2 3.42Å; K144-T189 HydrophobicContact CD-CG2 4.37Å; K144-T189 VanDerWaalsContact CD-OG1 3.24Å; K144-T189 WeakPolarHBondContact CD-OG1 3.48Å; K144-T189 PolarHBondContact NZ-OG1 3.26Å; K144-Y192 HydrophobicContact CB-CD1 4.45Å; K144-Y192 HydrophobicContact CB-CD2 3.32Å; K144-Y192 HydrophobicContact CB-CE2 3.48Å; K144-Y192 VanDerWaalsContact CB-CE2 3.48Å; K144-Y192 HydrophobicContact CB-CG 3.84Å; K144-Y192 HydrophobicContact CD-CD2 4.21Å; K144-Y192 HydrophobicContact CD-CE2 4.27Å; K144-Y192 HydrophobicContact CG-CD2 4.4Å; K144-Y192 HydrophobicContact CG-CE2 4.41Å
145P98.2Very high96.9Very high1 Ų128.5 Ų28.51%0.00617%0.165CC..G310 helixtrans-56.2-30.1-178.5-26.336000114.5L102 A103 N147 F148 Y192 M219L102-P145 HydrophobicContact CB-CB 4.1Å; L102-P145 WeakPolarHBondContact CB-O 3.43Å; L102-P145 PolarHBondContact N-O 3.33Å; A103-P145 HydrophobicContact CB-CB 4.09Å; A103-P145 PolarHBondContact N-O 3.3Å; P145-N147 VanDerWaalsContact C-N 3.28Å; P145-N147 PolarHBondContact O-N 2.97Å; P145-F148 PolarHBondContact O-N 3.39Å; P145-Y192 HydrophobicContact CG-CE1 4.33Å; P145-M219 HydrophobicContact CG-CG 4.29Å
146A96.8Very high96.8Very high44 Ų4427.4 Ų27.436%0.36416%0.156SC..G310 helixtrans-72-18.9178.200000114.2A103 K144A103-A146 HydrophobicContact CB-CB 3.84Å; K144-A146 HydrophobicContact CG-CB 4.26Å; K144-A146 PolarHBondContact O-N 3.31Å
147N97.8Very high96.7Very high13 Ų1328.9 Ų28.97%0.0716%0.157CC..G310 helixtrans-1008.6177.3-73.6-9.6000112.3D142 K144 P145 L162D142-N147 PolarHBondContact O-ND2 2.82Å; D142-N147 PolarHBondContact OD2-ND2 2.62Å; D142-N147 VanDerWaalsContact OD2-ND2 3.08Å; K144-N147 WeakPolarHBondContact CE-ND2 3.34Å; K144-N147 HydrophobicContact CG-CB 4.15Å; K144-N147 PolarHBondContact O-N 3.04Å; P145-N147 VanDerWaalsContact C-N 3.28Å; P145-N147 PolarHBondContact O-N 2.97Å; N147-L162 WeakPolarHBondContact O-CB 3.48Å; N147-L162 PolarHBondContact O-N 3.19Å
148F98.6Very high96.7Very high2 Ų229.8 Ų29.81%0.00916%0.161CC..EExtended strand (participates in β ladder)trans-115.3137.5164.8-66.6-80.9000108.5S101 L102 C126 A129 I130 V143 K144 P145 V159 L160 I161 L212S101-F148 CarbonylContact C-O 3.41Å; S101-F148 WeakPolarHBondContact CA-O 3.28Å; S101-F148 WeakPolarHBondContact CB-O 3.42Å; L102-F148 HydrophobicContact CD1-CB 3.65Å; L102-F148 HydrophobicContact CD1-CG 4.42Å; L102-F148 HydrophobicContact CG-CB 3.78Å; L102-F148 PolarHBondContact N-O 3.01Å; C126-F148 HydrophobicContact CB-CD1 4.4Å; C126-F148 HydrophobicContact CB-CE1 3.99Å; C126-F148 HydrophobicContact CB-CZ 4.07Å; A129-F148 HydrophobicContact CB-CE1 4.12Å; I130-F148 HydrophobicContact CD1-CZ 4.24Å; I130-F148 HydrophobicContact CG1-CZ 4.13Å; V143-F148 HydrophobicContact CG1-CE2 3.81Å; V143-F148 HydrophobicContact CG1-CZ 4.13Å; K144-F148 VanDerWaalsContact O-CD2 3.29Å; K144-F148 WeakPolarHBondContact O-CD2 3.42Å; P145-F148 PolarHBondContact O-N 3.39Å; F148-V159 HydrophobicContact CB-CG1 3.92Å; F148-V159 HydrophobicContact CD1-CG1 3.79Å; F148-V159 HydrophobicContact CG-CG1 4.24Å; F148-L160 CarbonylContact C-O 3.58Å; F148-L160 VanDerWaalsContact CA-O 3.3Å; F148-L160 WeakPolarHBondContact CA-O 3.32Å; F148-I161 HydrophobicContact CD1-CB 4.07Å; F148-I161 HydrophobicContact CD1-CG1 4.38Å; F148-I161 HydrophobicContact CE1-CB 3.84Å; F148-I161 HydrophobicContact CE1-CD1 3.86Å; F148-I161 HydrophobicContact CE1-CG1 3.93Å; F148-I161 HydrophobicContact CZ-CD1 4.04Å; F148-I161 HydrophobicContact CZ-CG1 4.4Å; F148-L212 HydrophobicContact CE2-CD1 4.24Å; F148-L212 HydrophobicContact CZ-CD1 4.36Å
149A98.2Very high96.7Very high1 Ų129.6 Ų29.61%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-138.6152.5176.900000111A98 P100 V159 L160 L162A98-A149 HydrophobicContact CB-CB 3.84Å; P100-A149 WeakPolarHBondContact O-CA 3.25Å; P100-A149 WeakPolarHBondContact O-CB 3.44Å; A149-V159 CarbonylContact O-C 3.53Å; A149-L160 PolarHBondContact N-O 3.32Å; A149-L160 PolarHBondContact O-N 3.48Å; A149-L162 HydrophobicContact CB-CD1 3.62Å; A149-L162 HydrophobicContact CB-CG 4.33Å
150I98Very high96.7Very high4 Ų429.8 Ų29.82%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-73.8153.4171.860.5170.2000110.5G99 P100 L102 L105 K156 V158 W297G99-I150 WeakPolarHBondContact CA-O 3.34Å; G99-I150 PolarHBondContact N-O 3.28Å; P100-I150 HydrophobicContact CG-CD1 3.87Å; P100-I150 HydrophobicContact CG-CG1 3.95Å; P100-I150 PolarHBondContact O-N 3.3Å; P100-I150 VanDerWaalsContact O-N 3.16Å; L102-I150 HydrophobicContact CD2-CG2 4.31Å; L105-I150 HydrophobicContact CD1-CD1 4.12Å; L105-I150 HydrophobicContact CD1-CG1 4.23Å; L105-I150 HydrophobicContact CD1-CG2 3.89Å; I150-K156 WeakPolarHBondContact CB-O 3.24Å; I150-V158 CarbonylContact C-O 3.53Å; I150-V158 WeakPolarHBondContact CA-O 3.35Å; I150-W297 HydrophobicContact CG2-CH2 4.48Å; I150-W297 HydrophobicContact CG2-CZ2 3.88Å
151G96.8Very high96.8Very high2 Ų229.8 Ų29.82%0.02116%0.161CC..  trans-66.5-171.8168.900000112.7E155 V158G151-E155 VanDerWaalsContact CA-O 3.24Å; G151-E155 WeakPolarHBondContact CA-O 3.38Å; G151-E155 PolarHBondContact N-O 3.35Å; G151-V158 PolarHBondContact N-O 2.76Å
152R94.4Very high96.7Very high53 Ų5329.9 Ų29.920%0.216%0.164CC..  trans-122.8157.5176.9-67.3-173.667.5171.70.6110.8L97 S154 E155 W311 E315L97-R152 VanDerWaalsContact O-CD 3.29Å; L97-R152 WeakPolarHBondContact O-CD 3.45Å; R152-S154 PolarHBondContact O-N 3.34Å; R152-E155 PolarHBondContact O-N 2.78Å; R152-W311 HydrophobicContact CG-CE3 4.01Å; R152-W311 VanDerWaalsContact CZ-CZ3 3.4Å; R152-E315 IonicContact NH2-OE1 3.45Å; R152-E315 PolarHBondContact NH2-OE1 3.41Å
153G92.3Very high96.5Very high19 Ų1931.9 Ų31.920%0.19618%0.175CC..G310 helixtrans59.7-123.1174.100000111.8E155 K156 W311G153-E155 PolarHBondContact O-N 2.91Å; G153-K156 WeakPolarHBondContact O-CB 3.38Å; G153-K156 VanDerWaalsContact O-CG 3.28Å; G153-K156 WeakPolarHBondContact O-CG 3.28Å; G153-K156 PolarHBondContact O-N 2.78Å; G153-W311 PolarHBondContact N-O 2.65Å
154S92.1Very high96.4Very high126 Ų12632 Ų3288%0.88118%0.175SC*.G310 helixtrans-65.2-22.6178.251.70000113.5R152R152-S154 PolarHBondContact O-N 3.34Å
155E93.9Very high96Very high102 Ų10230.7 Ų30.748%0.47717%0.172SC..G310 helixtrans-9814.7179.9-60.4-164.9146.200113G151 R152 G153 R157 V158G151-E155 VanDerWaalsContact CA-O 3.24Å; G151-E155 WeakPolarHBondContact CA-O 3.38Å; G151-E155 PolarHBondContact N-O 3.35Å; R152-E155 PolarHBondContact O-N 2.78Å; G153-E155 PolarHBondContact O-N 2.91Å; E155-R157 PolarHBondContact O-N 3.16Å; E155-V158 HydrophobicContact CB-CB 4.33Å; E155-V158 HydrophobicContact CB-CG2 4.14Å; E155-V158 WeakPolarHBondContact O-CB 3.28Å; E155-V158 PolarHBondContact O-N 2.81Å
156K93.9Very high95.8Very high65 Ų6533 Ų3328%0.28318%0.184SC..THydrogen-bonded Turntrans-59.2-15.3-177.866.9179.8-179.8-177.10115.6I150 G153 I312I150-K156 WeakPolarHBondContact CB-O 3.24Å; G153-K156 WeakPolarHBondContact O-CB 3.38Å; G153-K156 VanDerWaalsContact O-CG 3.28Å; G153-K156 WeakPolarHBondContact O-CG 3.28Å; G153-K156 PolarHBondContact O-N 2.78Å; K156-I312 HydrophobicContact CD-CB 4.23Å; K156-I312 HydrophobicContact CD-CG1 4.35Å; K156-I312 HydrophobicContact CD-CG2 3.69Å
157R95.5Very high95.8Very high72 Ų7231.1 Ų31.127%0.27217%0.168SC..THydrogen-bonded Turntrans-1031.4175.4-67.1-179.469.9113.7-6.2113.1Q125 E155 D291 E293 Y295 E298Q125-R157 PolarHBondContact NE2-O 3.38Å; Q125-R157 PolarHBondContact OE1-O 3.46Å; E155-R157 PolarHBondContact O-N 3.16Å; R157-D291 PolarHBondContact NH2-O 2.82Å; R157-E293 PolarHBondContact NH1-O 3.15Å; R157-E293 PolarHBondContact NH2-O 3.35Å; R157-Y295 HydrophobicContact CB-CE2 4.12Å; R157-Y295 HydrophobicContact CG-CD2 4.28Å; R157-Y295 HydrophobicContact CG-CE2 4.01Å; R157-E298 IonicContact CZ-OE2 2.72Å; R157-E298 IonicContact NH1-OE2 3.24Å; R157-E298 PolarHBondContact NH1-OE2 2.97Å
158V97.7Very high95.7Very high27 Ų2733.5 Ų33.516%0.16418%0.176CC..SBendtrans-88.9130.4173.1-179.70000109K76 I150 G151 E155 L160K76-V158 HydrophobicContact CG-CG1 4.28Å; I150-V158 CarbonylContact C-O 3.53Å; I150-V158 WeakPolarHBondContact CA-O 3.35Å; G151-V158 PolarHBondContact N-O 2.76Å; E155-V158 HydrophobicContact CB-CB 4.33Å; E155-V158 HydrophobicContact CB-CG2 4.14Å; E155-V158 WeakPolarHBondContact O-CB 3.28Å; E155-V158 PolarHBondContact O-N 2.81Å; V158-L160 HydrophobicContact CG1-CD2 4.27Å
159V98.6Very high95.6Very high0 Ų035.1 Ų35.10%018%0.184CC..EExtended strand (participates in β ladder)trans-86.1130.6171.6178.60000109.7H77 L122 Q125 F148 A149H77-V159 WeakPolarHBondContact CA-O 3.31Å; H77-V159 VanDerWaalsContact CB-O 3.28Å; H77-V159 WeakPolarHBondContact CB-O 3.38Å; H77-V159 PolarHBondContact ND1-O 3.44Å; L122-V159 HydrophobicContact CD2-CG2 3.62Å; Q125-V159 HydrophobicContact CB-CB 3.88Å; Q125-V159 HydrophobicContact CB-CG2 3.85Å; Q125-V159 HydrophobicContact CG-CG2 4.48Å; F148-V159 HydrophobicContact CB-CG1 3.92Å; F148-V159 HydrophobicContact CD1-CG1 3.79Å; F148-V159 HydrophobicContact CG-CG1 4.24Å; A149-V159 CarbonylContact O-C 3.53Å
160L98.8Very high95.6Very high4 Ų435.9 Ų35.92%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-109.3130.4175.8-58.1174.6000109.6H77 A98 F148 A149 V158 L162H77-L160 CarbonylContact O-C 3.42Å; H77-L160 VanDerWaalsContact O-CA 3.28Å; H77-L160 WeakPolarHBondContact O-CA 3.42Å; A98-L160 HydrophobicContact CB-CD1 4.02Å; F148-L160 CarbonylContact C-O 3.58Å; F148-L160 VanDerWaalsContact CA-O 3.3Å; F148-L160 WeakPolarHBondContact CA-O 3.32Å; A149-L160 PolarHBondContact N-O 3.32Å; A149-L160 PolarHBondContact O-N 3.48Å; V158-L160 HydrophobicContact CG1-CD2 4.27Å; L160-L162 HydrophobicContact CB-CD2 4.23Å
161I98.7Very high95.5Very high2 Ų239.5 Ų39.51%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-82.8135.4168.6-174.6162.2000110.2H77 V78 A129 I130 V133 F148 F164H77-I161 VanDerWaalsContact O-CG2 3.3Å; H77-I161 WeakPolarHBondContact O-CG2 3.34Å; H77-I161 PolarHBondContact O-N 2.94Å; V78-I161 HydrophobicContact CG1-CG2 3.98Å; A129-I161 HydrophobicContact CB-CB 4.07Å; A129-I161 HydrophobicContact CB-CG2 4.03Å; I130-I161 HydrophobicContact CG1-CD1 4.29Å; V133-I161 HydrophobicContact CG2-CD1 4.2Å; V133-I161 HydrophobicContact CG2-CG2 4.32Å; F148-I161 HydrophobicContact CD1-CB 4.07Å; F148-I161 HydrophobicContact CD1-CG1 4.38Å; F148-I161 HydrophobicContact CE1-CB 3.84Å; F148-I161 HydrophobicContact CE1-CD1 3.86Å; F148-I161 HydrophobicContact CE1-CG1 3.93Å; F148-I161 HydrophobicContact CZ-CD1 4.04Å; F148-I161 HydrophobicContact CZ-CG1 4.4Å; I161-F164 HydrophobicContact CG1-CE1 4.42Å; I161-F164 HydrophobicContact CG1-CZ 4.49Å; I161-F164 HydrophobicContact CG2-CE1 4.3Å; I161-F164 HydrophobicContact CG2-CZ 3.84Å
162L96.5Very high95.4Very high38 Ų3844.9 Ų44.920%0.19922%0.219CC..  trans-126.1158.2-171.3-51.9-177.4000111.9A98 H140 N147 A149 L160A98-L162 HydrophobicContact CB-CD2 4.36Å; H140-L162 PolarHBondContact CE1-O 2.82Å; H140-L162 PolarHBondContact NE2-O 3.35Å; N147-L162 WeakPolarHBondContact O-CB 3.48Å; N147-L162 PolarHBondContact O-N 3.19Å; A149-L162 HydrophobicContact CB-CD1 3.62Å; A149-L162 HydrophobicContact CB-CG 4.33Å; L160-L162 HydrophobicContact CB-CD2 4.23Å
163D93.4Very high95.2Very high60 Ų6048.3 Ų48.332%0.32125%0.248SC..  trans64.172.2171-157.90.5000116.5K51 H140 G165K51-D163 IonicContact NZ-OD1 2.82Å; K51-D163 PolarHBondContact NZ-OD1 3.1Å; K51-D163 IonicContact NZ-OD2 3.25Å; H140-D163 PolarHBondContact CE1-O 3.35Å; H140-D163 PolarHBondContact NE2-O 3.4Å; D163-G165 PolarHBondContact O-N 3.25Å; D163-G165 VanDerWaalsContact O-N 3.14Å; D163-G165 PolarHBondContact OD1-N 3.31Å
164F95.2Very high95.2Very high2 Ų251.9 Ų51.91%0.00926%0.263CS..G310 helixtrans-79.314.9173-53.7-77000114E65 V68 L69 L72 V78 V133 H140 I161 I166 S167E65-F164 HydrophobicContact CB-CB 4.25Å; E65-F164 HydrophobicContact CG-CB 4.1Å; E65-F164 HydrophobicContact CG-CD2 4.37Å; V68-F164 HydrophobicContact CB-CB 3.99Å; V68-F164 HydrophobicContact CB-CD1 4.35Å; V68-F164 HydrophobicContact CB-CG 4.08Å; V68-F164 HydrophobicContact CG1-CB 4.07Å; V68-F164 HydrophobicContact CG1-CD1 3.5Å; V68-F164 VanDerWaalsContact CG1-CD1 3.5Å; V68-F164 HydrophobicContact CG1-CD2 4.29Å; V68-F164 HydrophobicContact CG1-CE1 3.93Å; V68-F164 HydrophobicContact CG1-CG 3.68Å; V68-F164 HydrophobicContact CG1-CZ 4.48Å; V68-F164 HydrophobicContact CG2-CB 4.4Å; L69-F164 HydrophobicContact CD2-CD2 3.84Å; L69-F164 HydrophobicContact CD2-CE2 3.44Å; L69-F164 VanDerWaalsContact CD2-CE2 3.44Å; L69-F164 HydrophobicContact CD2-CZ 4.5Å; L69-F164 HydrophobicContact CG-CD2 3.82Å; L69-F164 HydrophobicContact CG-CE2 3.96Å; L72-F164 HydrophobicContact CD1-CE1 4.02Å; L72-F164 HydrophobicContact CD1-CZ 3.86Å; V78-F164 HydrophobicContact CG1-CZ 4.46Å; V133-F164 HydrophobicContact CG2-CE1 3.67Å; V133-F164 HydrophobicContact CG2-CZ 4.36Å; H140-F164 AromaticContact CD2-CD1 3.64Å; H140-F164 AromaticContact CD2-CE1 3.76Å; H140-F164 AromaticContact NE2-CD1 3.99Å; I161-F164 HydrophobicContact CG1-CE1 4.42Å; I161-F164 HydrophobicContact CG1-CZ 4.49Å; I161-F164 HydrophobicContact CG2-CE1 4.3Å; I161-F164 HydrophobicContact CG2-CZ 3.84Å; F164-I166 PolarHBondContact O-N 3.47Å; F164-I166 VanDerWaalsContact O-N 3.13Å; F164-S167 VanDerWaalsContact CA-OG 3.23Å; F164-S167 WeakPolarHBondContact CA-OG 3.15Å; F164-S167 WeakPolarHBondContact CB-OG 3.37Å; F164-S167 WeakPolarHBondContact O-CB 3.33Å; F164-S167 PolarHBondContact O-N 2.88Å; F164-S167 PolarHBondContact O-OG 2.93Å
165G91.6Very high95.2Very high8 Ų847.6 Ų47.68%0.08224%0.239CC..G310 helixtrans-61.4-26.2-171.900000113.8T61 D163T61-G165 WeakPolarHBondContact CG2-O 3.3Å; D163-G165 PolarHBondContact O-N 3.25Å; D163-G165 VanDerWaalsContact O-N 3.14Å; D163-G165 PolarHBondContact OD1-N 3.31Å
166I93.3Very high95.3Very high50 Ų5050.9 Ų50.926%0.25625%0.247SC..G310 helixtrans-114.414.517572.5168.7000113.3R141 D142 F164 C187R141-I166 HydrophobicContact CB-CD1 4.45Å; R141-I166 HydrophobicContact CB-CG1 4.48Å; R141-I166 PolarHBondContact NE-O 3.18Å; R141-I166 PolarHBondContact NH2-O 3.07Å; D142-I166 HydrophobicContact CB-CD1 3.74Å; D142-I166 HydrophobicContact CB-CG1 4.12Å; F164-I166 PolarHBondContact O-N 3.47Å; F164-I166 VanDerWaalsContact O-N 3.13Å; I166-C187 HydrophobicContact CD1-CB 4.25Å
167S95.9Very high95.4Very high4 Ų450.7 Ų50.73%0.02825%0.249CC..  trans-62158.3175.7-590000112.1I139 H140 F164I139-S167 CarbonylContact O-C 3.49Å; I139-S167 WeakPolarHBondContact O-CA 3.29Å; I139-S167 VanDerWaalsContact O-CB 3.23Å; I139-S167 WeakPolarHBondContact O-CB 3.43Å; H140-S167 WeakPolarHBondContact O-CA 3.47Å; F164-S167 VanDerWaalsContact CA-OG 3.23Å; F164-S167 WeakPolarHBondContact CA-OG 3.15Å; F164-S167 WeakPolarHBondContact CB-OG 3.37Å; F164-S167 WeakPolarHBondContact O-CB 3.33Å; F164-S167 PolarHBondContact O-N 2.88Å; F164-S167 PolarHBondContact O-OG 2.93Å
168R95.9Very high95.5Very high63 Ų6349.4 Ų49.424%0.23825%0.245CC..EExtended strand (participates in β ladder)trans-139.5133.9-178176.2163.4175.458.7-1.3111.1Y138 I139 Y170 E202Y138-R168 CarbonylContact C-O 3.56Å; Y138-R168 WeakPolarHBondContact CA-O 3.47Å; Y138-R168 VanDerWaalsContact CD1-C 3.5Å; I139-R168 HydrophobicContact CD1-CB 4.48Å; I139-R168 HydrophobicContact CG1-CB 4.1Å; I139-R168 VanDerWaalsContact CG1-O 3.27Å; I139-R168 WeakPolarHBondContact CG1-O 3.48Å; I139-R168 PolarHBondContact N-O 3.41Å; I139-R168 PolarHBondContact O-N 3.06Å; R168-Y170 PolarHBondContact O-N 3.24Å; R168-E202 IonicContact CZ-OE2 2.71Å; R168-E202 IonicContact NE-OE1 3.31Å; R168-E202 PolarHBondContact NE-OE1 3.42Å; R168-E202 IonicContact NE-OE2 3.68Å; R168-E202 PolarHBondContact NE-OE2 3.21Å; R168-E202 IonicContact NH2-OE2 2.87Å; R168-E202 PolarHBondContact NH2-OE2 2.97Å
169Q96.9Very high95.4Very high36 Ų3652.4 Ų52.417%0.16827%0.265CS..EExtended strand (participates in β ladder)trans-71.6116.8171.5-171.9-174.129.700109.7G137 Y138 R171 K178G137-Q169 WeakPolarHBondContact O-CA 3.44Å; G137-Q169 WeakPolarHBondContact O-CG 3.48Å; Y138-Q169 HydrophobicContact CD1-CB 4.04Å; Y138-Q169 HydrophobicContact CE1-CB 3.61Å; Y138-Q169 HydrophobicContact CE1-CG 4.42Å; Y138-Q169 HydrophobicContact CE2-CB 4.13Å; Y138-Q169 HydrophobicContact CE2-CG 4.05Å; Y138-Q169 HydrophobicContact CG-CB 4.49Å; Q169-R171 VanDerWaalsContact CD-O 3.24Å; Q169-R171 WeakPolarHBondContact CG-O 3.5Å; Q169-R171 PolarHBondContact NE2-O 2.68Å; Q169-K178 WeakPolarHBondContact O-CD 3.37Å; Q169-K178 PolarHBondContact O-NZ 3.42Å
170Y97.3Very high95.3Very high16 Ų1656.3 Ų56.36%0.06329%0.29CS..  trans-101.9-27.5178.780.4-75.3000112.5H134 G137 Y138 I139 R168 L177 K178 P205H134-Y170 PolarHBondContact O-OH 2.67Å; G137-Y170 WeakPolarHBondContact O-CD1 3.46Å; G137-Y170 PolarHBondContact O-N 3.23Å; Y138-Y170 WeakPolarHBondContact O-CE1 3.24Å; I139-Y170 HydrophobicContact CG2-CD1 3.72Å; I139-Y170 HydrophobicContact CG2-CE1 4.18Å; I139-Y170 HydrophobicContact CG2-CG 4.06Å; R168-Y170 PolarHBondContact O-N 3.24Å; Y170-L177 HydrophobicContact CD2-CD1 3.65Å; Y170-L177 HydrophobicContact CE2-CD1 4.27Å; Y170-K178 WeakPolarHBondContact O-CB 3.46Å; Y170-K178 WeakPolarHBondContact O-CG 3.47Å; Y170-K178 PolarHBondContact O-N 3.07Å; Y170-P205 HydrophobicContact CD2-CG 3.91Å; Y170-P205 HydrophobicContact CE1-CG 4.11Å; Y170-P205 HydrophobicContact CE2-CG 3.36Å; Y170-P205 HydrophobicContact CG-CG 4.47Å; Y170-P205 VanDerWaalsContact CZ-CG 3.49Å
171R96.6Very high95.1Very high80 Ų8060.4 Ų60.430%0.30231%0.306SS..BIsolated β-bridgetrans-104.8139.2170.7-75.4178.1-175-131.57.2111.6G137 Q169 G175 R176 T270G137-R171 PolarHBondContact O-N 3.05Å; Q169-R171 VanDerWaalsContact CD-O 3.24Å; Q169-R171 WeakPolarHBondContact CG-O 3.5Å; Q169-R171 PolarHBondContact NE2-O 2.68Å; R171-G175 PolarHBondContact NH1-O 3.13Å; R171-R176 CarbonylContact C-O 3.52Å; R171-R176 WeakPolarHBondContact CA-O 3.39Å; R171-T270 PolarHBondContact NH2-OG1 3.38Å
172R94.6Very high94.7Very high115 Ų11569.4 Ų69.443%0.43435%0.348SS..  trans-68.3162.5170.9-68.9179.5-175.1-163.50.7110.1D174 G175 R176 K178R172-D174 WeakPolarHBondContact CB-OD1 3.44Å; R172-D174 PolarHBondContact O-N 3Å; R172-D174 VanDerWaalsContact O-N 3.13Å; R172-G175 PolarHBondContact O-N 3.12Å; R172-R176 PolarHBondContact N-O 2.78Å; R172-K178 HydrophobicContact CG-CG 3.91Å
173P90.2Very high94.5Very high125 Ų12572.6 Ų72.681%0.81237%0.369SS*.THydrogen-bonded Turntrans-57.4-24175.5-25.835.8000114.4G175P173-G175 PolarHBondContact O-N 2.94Å
174D93.5Very high94.2Very high94 Ų9469.9 Ų69.950%0.50336%0.355SS..THydrogen-bonded Turntrans-81.17.2174.2672000113.5R172 R176R172-D174 WeakPolarHBondContact CB-OD1 3.44Å; R172-D174 PolarHBondContact O-N 3Å; R172-D174 VanDerWaalsContact O-N 3.13Å; D174-R176 VanDerWaalsContact C-N 3.25Å; D174-R176 PolarHBondContact O-N 3.12Å; D174-R176 VanDerWaalsContact OD1-CB 3.31Å; D174-R176 WeakPolarHBondContact OD1-CB 3.42Å; D174-R176 WeakPolarHBondContact OD1-CG 3.35Å; D174-R176 PolarHBondContact OD1-N 3.4Å; D174-R176 WeakPolarHBondContact OD2-CD 3.48Å; D174-R176 IonicContact OD2-NE 3.5Å
175G91.5Very high94.1Very high37 Ų3773 Ų7338%0.38138%0.375SS..SBendtrans81.6-9.6179.800000115R171 R172 P173R171-G175 PolarHBondContact NH1-O 3.13Å; R172-G175 PolarHBondContact O-N 3.12Å; P173-G175 PolarHBondContact O-N 2.94Å
176R95.3Very high94.2Very high170 Ų17075.2 Ų75.264%0.64238%0.382SS*.PPolyproline II helixtrans-71.8138.1-178.2-63.2179.4179.4173.7-1.1111.3R171 R172 D174R171-R176 CarbonylContact C-O 3.52Å; R171-R176 WeakPolarHBondContact CA-O 3.39Å; R172-R176 PolarHBondContact N-O 2.78Å; D174-R176 VanDerWaalsContact C-N 3.25Å; D174-R176 PolarHBondContact O-N 3.12Å; D174-R176 VanDerWaalsContact OD1-CB 3.31Å; D174-R176 WeakPolarHBondContact OD1-CB 3.42Å; D174-R176 WeakPolarHBondContact OD1-CG 3.35Å; D174-R176 PolarHBondContact OD1-N 3.4Å; D174-R176 WeakPolarHBondContact OD2-CD 3.48Å; D174-R176 IonicContact OD2-NE 3.5Å
177L96.9Very high94Very high61 Ų6173.7 Ų73.732%0.31938%0.376SS..BIsolated β-bridgetrans-61.3137.1172.3-173.666.1000110.1Y170 Y267 P268Y170-L177 HydrophobicContact CD2-CD1 3.65Å; Y170-L177 HydrophobicContact CE2-CD1 4.27Å; L177-Y267 HydrophobicContact CD1-CE1 3.97Å; L177-Y267 HydrophobicContact CD2-CD1 4.01Å; L177-Y267 HydrophobicContact CD2-CE1 3.7Å; L177-Y267 HydrophobicContact CG-CE1 3.85Å; L177-P268 HydrophobicContact CD2-CB 4.06Å
178K96.9Very high93.9Very high46 Ų4674.7 Ų74.720%0.239%0.387CS..PPolyproline II helixtrans-72.6141.1171.1-76.8177.2172.41680109.6Q169 Y170 R172 Y267Q169-K178 WeakPolarHBondContact O-CD 3.37Å; Q169-K178 PolarHBondContact O-NZ 3.42Å; Y170-K178 WeakPolarHBondContact O-CB 3.46Å; Y170-K178 WeakPolarHBondContact O-CG 3.47Å; Y170-K178 PolarHBondContact O-N 3.07Å; R172-K178 HydrophobicContact CG-CG 3.91Å; K178-Y267 WeakPolarHBondContact O-CE1 3.44Å; K178-Y267 PolarHBondContact O-OH 3.11Å
179P95.7Very high93.8Very high90 Ų9073.6 Ų73.658%0.58439%0.387SS*.PPolyproline II helixtrans-56.8139.7170.4-23.333.4000110.6
180P95.8Very high93.7Very high81 Ų8176 Ų7653%0.52640%0.395SS..PPolyproline II helixtrans-64.3144.7175.228.5-34000110.1E202 Y267P180-E202 HydrophobicContact CB-CB 3.74Å; P180-E202 HydrophobicContact CB-CG 4.25Å; P180-Y267 HydrophobicContact CB-CD1 4.08Å; P180-Y267 HydrophobicContact CB-CE1 4.01Å; P180-Y267 HydrophobicContact CG-CD1 4.34Å; P180-Y267 HydrophobicContact CG-CE1 4.37Å
181R94.8Very high93.6Very high91 Ų9178.8 Ų78.834%0.34341%0.405SS..PPolyproline II helixtrans-72.1144.5166.9-69.9174.2-72.4166.94.6108.8V183 P185 E202R181-V183 VanDerWaalsContact C-N 3.28Å; R181-V183 PolarHBondContact O-N 3.39Å; R181-P185 VanDerWaalsContact NH1-CD 3.27Å; R181-E202 IonicContact CZ-OE1 3.9Å; R181-E202 IonicContact CZ-OE2 2.73Å; R181-E202 IonicContact NE-OE1 2.92Å; R181-E202 IonicContact NE-OE2 3.95Å; R181-E202 PolarHBondContact NE-OE2 2.82Å; R181-E202 IonicContact NH2-OE1 3.07Å; R181-E202 PolarHBondContact NH2-OE1 3.09Å; R181-E202 IonicContact NH2-OE2 3.95Å; R181-E202 PolarHBondContact NH2-OE2 2.79Å
182E91.5Very high93.6Very high191 Ų19175.9 Ų75.989%0.89339%0.394SS*.SBendtrans-58.3-42.7175.3-170.7179-172.100111.5
183V91.5Very high93.7Very high105 Ų10570.7 Ų70.764%0.63638%0.376SS*.SBendtrans-131.4120.6172-175.40000109.7R181R181-V183 VanDerWaalsContact C-N 3.28Å; R181-V183 PolarHBondContact O-N 3.39Å
184G88.3Confident94.1Very high3 Ų364.8 Ų64.83%0.03134%0.338CS..PPolyproline II helixtrans-93153171.900000112Y200G184-Y200 WeakPolarHBondContact CA-O 3.38Å; G184-Y200 PolarHBondContact N-O 2.95Å; G184-Y200 WeakPolarHBondContact O-CB 3.01Å; G184-Y200 WeakPolarHBondContact O-CD1 3.46Å
185P91.4Very high94.2Very high66 Ų6660.6 Ų60.643%0.42932%0.315SS..PPolyproline II helixtrans-74.1142.9169.230.9-32.3000110.2R181 C187R181-P185 VanDerWaalsContact NH1-CD 3.27Å; P185-C187 PolarHBondContact O-N 2.85Å; P185-C187 PolarHBondContact O-SG 3.35Å; P185-C187 VanDerWaalsContact O-SG 3.36Å
186F93.5Very high94.4Very high55 Ų5560.7 Ų60.724%0.24131%0.307CS..PPolyproline II helixtrans-55.3126.7163.1178.2-87.4000109.4G188 R190 A193 A197 H198 Y200F186-G188 VanDerWaalsContact CE1-O 3.25Å; F186-G188 WeakPolarHBondContact CE1-O 3.4Å; F186-R190 HydrophobicContact CE1-CG 4Å; F186-R190 HydrophobicContact CE2-CG 4.25Å; F186-R190 HydrophobicContact CZ-CB 4.32Å; F186-R190 HydrophobicContact CZ-CG 3.53Å; F186-A193 HydrophobicContact CE2-CB 3.85Å; F186-A193 HydrophobicContact CZ-CB 3.89Å; F186-A197 HydrophobicContact CD2-CB 4.46Å; F186-A197 WeakPolarHBondContact CD2-O 3.48Å; F186-A197 HydrophobicContact CE2-CB 4.42Å; F186-H198 AromaticContact CE2-CE1 3.78Å; F186-H198 AromaticContact CE2-ND1 3.76Å; F186-Y200 HydrophobicContact CB-CD1 4.26Å; F186-Y200 HydrophobicContact CB-CE1 3.81Å
187C91Very high94.5Very high19 Ų1952.7 Ų52.713%0.12828%0.277CS..  trans-132.9146.9178.6-67.70000109.5R141 I166 P185 L203R141-C187 HydrophobicContact CB-CB 4.29Å; R141-C187 PolarHBondContact NH1-SG 3.28Å; I166-C187 HydrophobicContact CD1-CB 4.25Å; P185-C187 PolarHBondContact O-N 2.85Å; P185-C187 PolarHBondContact O-SG 3.35Å; P185-C187 VanDerWaalsContact O-SG 3.36Å; C187-L203 HydrophobicContact CB-CD1 4.49Å
188G92.9Very high94.4Very high24 Ų2450.8 Ų50.825%0.24727%0.267CS..SBendtrans94.1-170.1177.300000114.1R141 D142 F186R141-G188 WeakPolarHBondContact O-CA 3.15Å; R141-G188 PolarHBondContact O-N 3.04Å; D142-G188 VanDerWaalsContact OD1-CA 3.27Å; D142-G188 WeakPolarHBondContact OD1-CA 3.5Å; F186-G188 VanDerWaalsContact CE1-O 3.25Å; F186-G188 WeakPolarHBondContact CE1-O 3.4Å
189T94.2Very high94.3Very high41 Ų4149.7 Ų49.725%0.25227%0.266SS..  trans-94.2122.3-176.7-57.10000110D142 K144 R191 Y192 A193D142-T189 WeakPolarHBondContact OD1-CB 3.44Å; D142-T189 PolarHBondContact OD1-N 2.89Å; D142-T189 PolarHBondContact OD1-OG1 2.99Å; K144-T189 HydrophobicContact CD-CG2 4.37Å; K144-T189 VanDerWaalsContact CD-OG1 3.24Å; K144-T189 WeakPolarHBondContact CD-OG1 3.48Å; K144-T189 PolarHBondContact NZ-OG1 3.26Å; T189-R191 HydrophobicContact CG2-CB 4.29Å; T189-R191 PolarHBondContact O-N 3.36Å; T189-R191 VanDerWaalsContact O-N 3.07Å; T189-Y192 HydrophobicContact CG2-CD2 3.91Å; T189-Y192 HydrophobicContact CG2-CE2 4.13Å; T189-Y192 PolarHBondContact O-N 2.92Å; T189-A193 WeakPolarHBondContact O-CB 3.41Å; T189-A193 PolarHBondContact O-N 2.88Å
190R94.6Very high94.3Very high86 Ų8651 Ų5133%0.32526%0.261SS..THydrogen-bonded Turntrans-47.7-41.8-174.3-78.1-176.4166.7-130.2-1.8114.1F186 Y192 H198 K239F186-R190 HydrophobicContact CE1-CG 4Å; F186-R190 HydrophobicContact CE2-CG 4.25Å; F186-R190 HydrophobicContact CZ-CB 4.32Å; F186-R190 HydrophobicContact CZ-CG 3.53Å; R190-Y192 VanDerWaalsContact C-N 3.31Å; R190-Y192 PolarHBondContact O-N 3.31Å; R190-H198 PolarHBondContact O-NE2 3.41Å; R190-K239 PolarHBondContact O-NZ 2.76Å
191R95.1Very high94.3Very high74 Ų7451.7 Ų51.728%0.27926%0.257SS..THydrogen-bonded Turntrans-48.9-47.8174.2-171.5174.9-68.3-168.82.1113.4T189 E218 L224 W226 E230 K239T189-R191 HydrophobicContact CG2-CB 4.29Å; T189-R191 PolarHBondContact O-N 3.36Å; T189-R191 VanDerWaalsContact O-N 3.07Å; R191-E218 VanDerWaalsContact CD-OE1 3.24Å; R191-E218 WeakPolarHBondContact CD-OE1 3.36Å; R191-E218 IonicContact CZ-OE1 2.63Å; R191-E218 IonicContact NE-OE1 3.77Å; R191-E218 IonicContact NH1-OE1 3.16Å; R191-E218 PolarHBondContact NH1-OE1 3.36Å; R191-L224 HydrophobicContact CG-CD1 3.64Å; R191-W226 PolarHBondContact O-NE1 3.23Å; R191-E230 WeakPolarHBondContact CB-OE2 3.47Å; R191-E230 IonicContact CZ-OE1 3.97Å; R191-E230 IonicContact NE-OE1 3.45Å; R191-E230 PolarHBondContact NE-OE1 3.04Å; R191-E230 IonicContact NE-OE2 3.39Å; R191-E230 IonicContact NH2-OE1 2.91Å; R191-E230 PolarHBondContact NH2-OE1 3.4Å; R191-K239 PolarHBondContact O-NZ 3.28Å
192Y97.3Very high94.3Very high20 Ų2047.9 Ų47.98%0.07824%0.243CC..THydrogen-bonded Turntrans-104.9-14.5-172.2-47-79.8000113.6V143 K144 P145 T189 R190 S194 S211 Y214 E218 L224V143-Y192 WeakPolarHBondContact O-CB 3.35Å; K144-Y192 HydrophobicContact CB-CD1 4.45Å; K144-Y192 HydrophobicContact CB-CD2 3.32Å; K144-Y192 HydrophobicContact CB-CE2 3.48Å; K144-Y192 VanDerWaalsContact CB-CE2 3.48Å; K144-Y192 HydrophobicContact CB-CG 3.84Å; K144-Y192 HydrophobicContact CD-CD2 4.21Å; K144-Y192 HydrophobicContact CD-CE2 4.27Å; K144-Y192 HydrophobicContact CG-CD2 4.4Å; K144-Y192 HydrophobicContact CG-CE2 4.41Å; P145-Y192 HydrophobicContact CG-CE1 4.33Å; T189-Y192 HydrophobicContact CG2-CD2 3.91Å; T189-Y192 HydrophobicContact CG2-CE2 4.13Å; T189-Y192 PolarHBondContact O-N 2.92Å; R190-Y192 VanDerWaalsContact C-N 3.31Å; R190-Y192 PolarHBondContact O-N 3.31Å; Y192-S194 PolarHBondContact O-N 3.11Å; Y192-S211 VanDerWaalsContact O-CA 3.29Å; Y192-S211 WeakPolarHBondContact O-CA 3.43Å; Y192-S211 WeakPolarHBondContact O-CB 3.12Å; Y192-S211 PolarHBondContact O-OG 2.94Å; Y192-Y214 WeakPolarHBondContact O-CD2 3.46Å; Y192-E218 WeakPolarHBondContact CE1-OE2 3.49Å; Y192-E218 VanDerWaalsContact CZ-OE2 3.26Å; Y192-E218 PolarHBondContact OH-OE1 3.4Å; Y192-E218 PolarHBondContact OH-OE2 3.19Å; Y192-L224 HydrophobicContact CD1-CD1 4.32Å; Y192-L224 HydrophobicContact CE1-CD1 4.3Å
193A96.9Very high94.6Very high5 Ų539.2 Ų39.24%0.04120%0.202CC..  trans-58.1137-178.700000112.1F186 T189 A197 K239F186-A193 HydrophobicContact CE2-CB 3.85Å; F186-A193 HydrophobicContact CZ-CB 3.89Å; T189-A193 WeakPolarHBondContact O-CB 3.41Å; T189-A193 PolarHBondContact O-N 2.88Å; A193-A197 HydrophobicContact CB-CB 3.99Å; A193-K239 PolarHBondContact O-NZ 3.36Å
194S97.3Very high94.9Very high2 Ų234.2 Ų34.21%0.01417%0.172CC..  trans-62.6161.2178.173.90000112Y192 N196 A197 H198 D207Y192-S194 PolarHBondContact O-N 3.11Å; S194-N196 PolarHBondContact O-N 3.49Å; S194-N196 PolarHBondContact OG-N 2.95Å; S194-A197 WeakPolarHBondContact O-CB 3.48Å; S194-A197 PolarHBondContact O-N 2.95Å; S194-A197 VanDerWaalsContact O-N 3.1Å; S194-A197 PolarHBondContact OG-N 3.22Å; S194-H198 PolarHBondContact O-CD2 3.48Å; S194-H198 VanDerWaalsContact O-CD2 3.31Å; S194-H198 PolarHBondContact O-N 2.88Å; S194-D207 WeakPolarHBondContact CB-OD1 3.24Å; S194-D207 PolarHBondContact OG-OD1 3.19Å
195P95.9Very high95.4Very high5 Ų534.2 Ų34.23%0.03217%0.171CC..Hα-helixtrans-53.1-36.7170.2-26.734.5000113.5A197 H198 A199 E236 K239 R240P195-A197 VanDerWaalsContact C-N 3.31Å; P195-A197 PolarHBondContact O-N 3.23Å; P195-H198 PolarHBondContact O-N 3.24Å; P195-A199 WeakPolarHBondContact O-CB 3.33Å; P195-A199 PolarHBondContact O-N 3.26Å; P195-E236 HydrophobicContact CB-CG 4.24Å; P195-K239 HydrophobicContact CG-CB 3.83Å; P195-R240 HydrophobicContact CB-CG 3.71Å; P195-R240 HydrophobicContact CG-CG 4Å
196N96.6Very high95.7Very high39 Ų3931.2 Ų31.221%0.20915%0.152CC..Hα-helixtrans-64.6-34.3178.6-61.7-35.9000112.6S194 A199 Y200 H201 L203 D207S194-N196 PolarHBondContact O-N 3.49Å; S194-N196 PolarHBondContact OG-N 2.95Å; N196-A199 CarbonylContact O-C 3.52Å; N196-A199 PolarHBondContact O-N 2.86Å; N196-Y200 PolarHBondContact O-N 3.36Å; N196-H201 HydrophobicContact CB-CB 4.15Å; N196-H201 PolarHBondContact O-N 3.47Å; N196-L203 HydrophobicContact CB-CD2 4.19Å; N196-D207 VanDerWaalsContact CB-OD1 3.32Å; N196-D207 WeakPolarHBondContact CB-OD1 3.41Å; N196-D207 PolarHBondContact ND2-OD1 3.45Å
197A96.4Very high96Very high2 Ų228.8 Ų28.82%0.01714%0.142CC..Hα-helixtrans-65.9-40.1174.300000112F186 A193 S194 P195 A199 Y200 L203F186-A197 HydrophobicContact CD2-CB 4.46Å; F186-A197 WeakPolarHBondContact CD2-O 3.48Å; F186-A197 HydrophobicContact CE2-CB 4.42Å; A193-A197 HydrophobicContact CB-CB 3.99Å; S194-A197 WeakPolarHBondContact O-CB 3.48Å; S194-A197 PolarHBondContact O-N 2.95Å; S194-A197 VanDerWaalsContact O-N 3.1Å; S194-A197 PolarHBondContact OG-N 3.22Å; P195-A197 VanDerWaalsContact C-N 3.31Å; P195-A197 PolarHBondContact O-N 3.23Å; A197-A199 VanDerWaalsContact C-N 3.32Å; A197-Y200 PolarHBondContact O-N 3.18Å; A197-L203 HydrophobicContact CB-CD1 4.06Å; A197-L203 HydrophobicContact CB-CD2 3.85Å
198H94.9Very high96.3Very high21 Ų2128 Ų2810%0.09714%0.136CC..Hα-helixtrans-67.2-33.6174-70.8-76.5000112.4F186 R190 S194 P195 Y200 I235 E236F186-H198 AromaticContact CE2-CE1 3.78Å; F186-H198 AromaticContact CE2-ND1 3.76Å; R190-H198 PolarHBondContact O-NE2 3.41Å; S194-H198 PolarHBondContact O-CD2 3.48Å; S194-H198 VanDerWaalsContact O-CD2 3.31Å; S194-H198 PolarHBondContact O-N 2.88Å; P195-H198 PolarHBondContact O-N 3.24Å; H198-Y200 VanDerWaalsContact O-CD2 3.29Å; H198-Y200 WeakPolarHBondContact O-CD2 3.21Å; H198-Y200 WeakPolarHBondContact O-CE2 3.23Å; H198-Y200 PolarHBondContact O-N 2.92Å; H198-I235 WeakPolarHBondContact CE1-CG2 3.29Å; H198-I235 WeakPolarHBondContact ND1-CG2 3.34Å; H198-E236 HydrophobicContact CB-CB 3.82Å; H198-E236 HydrophobicContact CB-CG 4.05Å
199A94.2Very high96.6Very high23 Ų2326.9 Ų26.919%0.1913%0.125CC..THydrogen-bonded Turntrans-78.53.3174.700000114.4P195 N196 A197 H201P195-A199 WeakPolarHBondContact O-CB 3.33Å; P195-A199 PolarHBondContact O-N 3.26Å; N196-A199 CarbonylContact O-C 3.52Å; N196-A199 PolarHBondContact O-N 2.86Å; A197-A199 VanDerWaalsContact C-N 3.32Å; A199-H201 PolarHBondContact O-CD2 2.79Å; A199-H201 VanDerWaalsContact O-CD2 3.3Å; A199-H201 PolarHBondContact O-N 2.99Å
200Y95.3Very high96.8Very high119 Ų11925.4 Ų25.447%0.46712%0.115SC..THydrogen-bonded Turntrans58.629.3-178.5-58-87.6000114.2G184 F186 N196 A197 H198G184-Y200 WeakPolarHBondContact CA-O 3.38Å; G184-Y200 PolarHBondContact N-O 2.95Å; G184-Y200 WeakPolarHBondContact O-CB 3.01Å; G184-Y200 WeakPolarHBondContact O-CD1 3.46Å; F186-Y200 HydrophobicContact CB-CD1 4.26Å; F186-Y200 HydrophobicContact CB-CE1 3.81Å; N196-Y200 PolarHBondContact O-N 3.36Å; A197-Y200 PolarHBondContact O-N 3.18Å; H198-Y200 VanDerWaalsContact O-CD2 3.29Å; H198-Y200 WeakPolarHBondContact O-CD2 3.21Å; H198-Y200 WeakPolarHBondContact O-CE2 3.23Å; H198-Y200 PolarHBondContact O-N 2.92Å
201H96.1Very high97Very high95 Ų9521.7 Ų21.744%0.4410%0.102SC..PPolyproline II helixtrans-78.2161.8173.1-63.9172.8000111.4N196 A199 L203N196-H201 HydrophobicContact CB-CB 4.15Å; N196-H201 PolarHBondContact O-N 3.47Å; A199-H201 PolarHBondContact O-CD2 2.79Å; A199-H201 VanDerWaalsContact O-CD2 3.3Å; A199-H201 PolarHBondContact O-N 2.99Å; H201-L203 PolarHBondContact O-N 2.72Å
202E96.4Very high97.2Very high10 Ų1018.2 Ų18.25%0.0479%0.089CC..PPolyproline II helixtrans-66.9130.1167.9-176.172.1-80.100109.6R168 P180 R181 Y267R168-E202 IonicContact CZ-OE2 2.71Å; R168-E202 IonicContact NE-OE1 3.31Å; R168-E202 PolarHBondContact NE-OE1 3.42Å; R168-E202 IonicContact NE-OE2 3.68Å; R168-E202 PolarHBondContact NE-OE2 3.21Å; R168-E202 IonicContact NH2-OE2 2.87Å; R168-E202 PolarHBondContact NH2-OE2 2.97Å; P180-E202 HydrophobicContact CB-CB 3.74Å; P180-E202 HydrophobicContact CB-CG 4.25Å; R181-E202 IonicContact CZ-OE1 3.9Å; R181-E202 IonicContact CZ-OE2 2.73Å; R181-E202 IonicContact NE-OE1 2.92Å; R181-E202 IonicContact NE-OE2 3.95Å; R181-E202 PolarHBondContact NE-OE2 2.82Å; R181-E202 IonicContact NH2-OE1 3.07Å; R181-E202 PolarHBondContact NH2-OE1 3.09Å; R181-E202 IonicContact NH2-OE2 3.95Å; R181-E202 PolarHBondContact NH2-OE2 2.79Å; E202-Y267 HydrophobicContact CB-CE2 4.4Å; E202-Y267 HydrophobicContact CG-CD2 4.27Å; E202-Y267 HydrophobicContact CG-CE2 3.64Å
203L97.5Very high97.3Very high9 Ų917.3 Ų17.35%0.0479%0.086CC..PPolyproline II helixtrans-87.1144.3-177.8-55.3-176.4000110.8I139 R141 C187 N196 A197 H201 D207 Y267I139-L203 HydrophobicContact CD1-CB 3.92Å; I139-L203 WeakPolarHBondContact CD1-O 3.48Å; R141-L203 HydrophobicContact CB-CD1 4.45Å; R141-L203 HydrophobicContact CG-CD1 4.3Å; C187-L203 HydrophobicContact CB-CD1 4.49Å; N196-L203 HydrophobicContact CB-CD2 4.19Å; A197-L203 HydrophobicContact CB-CD1 4.06Å; A197-L203 HydrophobicContact CB-CD2 3.85Å; H201-L203 PolarHBondContact O-N 2.72Å; L203-D207 VanDerWaalsContact CA-OD2 3.25Å; L203-D207 WeakPolarHBondContact CA-OD2 3.38Å; L203-D207 HydrophobicContact CB-CB 4.22Å; L203-D207 HydrophobicContact CD2-CB 4.11Å; L203-Y267 VanDerWaalsContact O-CE2 3.3Å; L203-Y267 WeakPolarHBondContact O-CE2 3.48Å
204G97.6Very high97.4Very high0 Ų017 Ų170%08%0.084CC..  trans-127.6-174.5174.700000112.4C206 D207G204-C206 PolarHBondContact O-N 3.33Å; G204-D207 PolarHBondContact N-OD2 3.2Å; G204-D207 PolarHBondContact O-N 2.94Å
205P98.5Very high97.4Very high3 Ų317 Ų172%0.0198%0.084CC..Hα-helixtrans-52.3-35176.2-32.839.9000114.3H134 I139 Y170 D207 D208 M209 V271H134-P205 VanDerWaalsContact CE1-CA 3.44Å; H134-P205 WeakPolarHBondContact CE1-CA 3.29Å; H134-P205 PolarHBondContact CE1-O 3.49Å; I139-P205 HydrophobicContact CG2-CG 3.94Å; Y170-P205 HydrophobicContact CD2-CG 3.91Å; Y170-P205 HydrophobicContact CE1-CG 4.11Å; Y170-P205 HydrophobicContact CE2-CG 3.36Å; Y170-P205 HydrophobicContact CG-CG 4.47Å; Y170-P205 VanDerWaalsContact CZ-CG 3.49Å; P205-D207 PolarHBondContact O-N 3.42Å; P205-D208 PolarHBondContact O-N 3.03Å; P205-M209 WeakPolarHBondContact O-CG 3.37Å; P205-M209 PolarHBondContact O-N 2.91Å; P205-V271 HydrophobicContact CB-CG2 3.77Å
206C98.2Very high97.5Very high3 Ų316.8 Ų16.82%0.028%0.082CC..Hα-helixtrans-57-36.917754.80000112.7G204 M209 V210 L265G204-C206 PolarHBondContact O-N 3.33Å; C206-M209 WeakPolarHBondContact O-CB 3.27Å; C206-M209 PolarHBondContact O-N 3.33Å; C206-V210 WeakPolarHBondContact O-CG2 3.4Å; C206-V210 PolarHBondContact O-N 3.43Å; C206-L265 HydrophobicContact CB-CB 3.62Å; C206-L265 HydrophobicContact CB-CD1 4.38Å
207D98.7Very high97.6Very high5 Ų514.9 Ų14.93%0.0277%0.072CC..Hα-helixtrans-72.4-35.6-176.3-61.2-71.2000112.6S194 N196 L203 G204 P205 M209 V210 S211S194-D207 WeakPolarHBondContact CB-OD1 3.24Å; S194-D207 PolarHBondContact OG-OD1 3.19Å; N196-D207 VanDerWaalsContact CB-OD1 3.32Å; N196-D207 WeakPolarHBondContact CB-OD1 3.41Å; N196-D207 PolarHBondContact ND2-OD1 3.45Å; L203-D207 VanDerWaalsContact CA-OD2 3.25Å; L203-D207 WeakPolarHBondContact CA-OD2 3.38Å; L203-D207 HydrophobicContact CB-CB 4.22Å; L203-D207 HydrophobicContact CD2-CB 4.11Å; G204-D207 PolarHBondContact N-OD2 3.2Å; G204-D207 PolarHBondContact O-N 2.94Å; P205-D207 PolarHBondContact O-N 3.42Å; D207-M209 VanDerWaalsContact C-N 3.28Å; D207-M209 PolarHBondContact O-N 2.83Å; D207-V210 PolarHBondContact O-N 2.87Å; D207-S211 PolarHBondContact O-N 3.09Å; D207-S211 PolarHBondContact O-OG 3.08Å
208D98.9Very high97.6Very high3 Ų315.3 Ų15.32%0.0167%0.074CC..Hα-helixtrans-64.5-36.2171.9-79.3-24.8000110.9I130 H134 I139 H140 R141 V143 P205 S211 L212I130-D208 HydrophobicContact CG2-CB 4.3Å; H134-D208 IonicContact CE1-OD2 3.88Å; H134-D208 IonicContact NE2-OD2 3.82Å; H134-D208 PolarHBondContact NE2-OD2 2.88Å; H134-D208 VanDerWaalsContact NE2-OD2 3.07Å; I139-D208 WeakPolarHBondContact CA-OD2 3.25Å; I139-D208 WeakPolarHBondContact CB-OD2 3.45Å; H140-D208 PolarHBondContact N-OD2 3.45Å; R141-D208 WeakPolarHBondContact CA-OD1 3.35Å; R141-D208 PolarHBondContact N-OD1 3.3Å; V143-D208 HydrophobicContact CG2-CB 3.81Å; V143-D208 WeakPolarHBondContact CG2-OD1 3.22Å; P205-D208 PolarHBondContact O-N 3.03Å; D208-S211 PolarHBondContact O-N 2.69Å; D208-L212 PolarHBondContact O-N 3.41Å
209M98.9Very high97.8Very high0 Ų014.4 Ų14.40%07%0.069CC..Hα-helixtrans-69.5-39.1175.5-61.1-52-62.300112.7I127 I130 P205 C206 D207 S211 L212 I213 I262 V271 Y273 I276I127-M209 HydrophobicContact CG1-CE 4.27Å; I127-M209 HydrophobicContact CG2-CE 4.45Å; I130-M209 HydrophobicContact CD1-SD 4.45Å; I130-M209 HydrophobicContact CG2-SD 3.86Å; P205-M209 WeakPolarHBondContact O-CG 3.37Å; P205-M209 PolarHBondContact O-N 2.91Å; C206-M209 WeakPolarHBondContact O-CB 3.27Å; C206-M209 PolarHBondContact O-N 3.33Å; D207-M209 VanDerWaalsContact C-N 3.28Å; D207-M209 PolarHBondContact O-N 2.83Å; M209-S211 VanDerWaalsContact C-N 3.34Å; M209-L212 HydrophobicContact CE-CD2 4.31Å; M209-L212 PolarHBondContact O-N 3.36Å; M209-I213 PolarHBondContact O-N 2.53Å; M209-I262 HydrophobicContact CB-CD1 4.22Å; M209-I262 HydrophobicContact CB-CG1 4.21Å; M209-I262 HydrophobicContact CB-CG2 3.91Å; M209-I262 HydrophobicContact CE-CD1 4.32Å; M209-V271 HydrophobicContact CG-CG1 4.01Å; M209-V271 HydrophobicContact CG-CG2 4.06Å; M209-Y273 HydrophobicContact SD-CD1 4.43Å; M209-Y273 HydrophobicContact SD-CE1 3.99Å; M209-I276 HydrophobicContact CE-CD1 3.84Å
210V98.7Very high97.9Very high9 Ų913.8 Ų13.86%0.0556%0.064CC..Hα-helixtrans-60-46.6172.2170.70000110.3C206 D207 L212 I213 Y214 I262 M263C206-V210 WeakPolarHBondContact O-CG2 3.4Å; C206-V210 PolarHBondContact O-N 3.43Å; D207-V210 PolarHBondContact O-N 2.87Å; V210-L212 VanDerWaalsContact C-N 3.27Å; V210-L212 PolarHBondContact O-N 3.37Å; V210-I213 PolarHBondContact O-N 3.4Å; V210-Y214 HydrophobicContact CG1-CD2 4.17Å; V210-Y214 HydrophobicContact CG1-CE1 4.25Å; V210-Y214 HydrophobicContact CG1-CE2 3.46Å; V210-Y214 VanDerWaalsContact CG1-CE2 3.46Å; V210-Y214 PolarHBondContact O-N 2.77Å; V210-Y214 VanDerWaalsContact O-N 3.09Å; V210-I262 HydrophobicContact CB-CG2 4.44Å; V210-I262 HydrophobicContact CG2-CG2 3.71Å; V210-M263 HydrophobicContact CG1-SD 4.3Å; V210-M263 HydrophobicContact CG2-SD 3.94Å
211S98.8Very high97.9Very high8 Ų810.1 Ų10.16%0.0565%0.054CC..Hα-helixtrans-60.8-35.8175.1-70.80000112.8Y192 D207 D208 M209 Y214 S215Y192-S211 VanDerWaalsContact O-CA 3.29Å; Y192-S211 WeakPolarHBondContact O-CA 3.43Å; Y192-S211 WeakPolarHBondContact O-CB 3.12Å; Y192-S211 PolarHBondContact O-OG 2.94Å; D207-S211 PolarHBondContact O-N 3.09Å; D207-S211 PolarHBondContact O-OG 3.08Å; D208-S211 PolarHBondContact O-N 2.69Å; M209-S211 VanDerWaalsContact C-N 3.34Å; S211-Y214 PolarHBondContact O-N 3.34Å; S211-S215 PolarHBondContact O-N 3.33Å; S211-S215 PolarHBondContact O-OG 3.09Å
212L98.9Very high97.8Very high1 Ų17 Ų71%0.0055%0.048CC..Hα-helixtrans-67.6-39.8175.8-171.362.4000112F123 C126 I127 I130 V143 F148 D208 M209 V210 Y214 S215 L216F123-L212 HydrophobicContact CD2-CD1 4.35Å; F123-L212 HydrophobicContact CD2-CD2 4.01Å; F123-L212 HydrophobicContact CD2-CG 3.89Å; F123-L212 HydrophobicContact CE2-CB 4.5Å; F123-L212 HydrophobicContact CE2-CD1 4.5Å; F123-L212 HydrophobicContact CE2-CD2 3.72Å; F123-L212 HydrophobicContact CE2-CG 3.59Å; F123-L212 HydrophobicContact CZ-CD2 4.44Å; C126-L212 HydrophobicContact CB-CD1 3.5Å; C126-L212 VanDerWaalsContact CB-CD1 3.5Å; C126-L212 HydrophobicContact CB-CD2 4.05Å; C126-L212 HydrophobicContact CB-CG 4.41Å; I127-L212 HydrophobicContact CG1-CD2 3.65Å; I130-L212 HydrophobicContact CD1-CB 3.91Å; I130-L212 HydrophobicContact CD1-CD1 4.26Å; I130-L212 HydrophobicContact CD1-CD2 3.81Å; I130-L212 HydrophobicContact CD1-CG 4.16Å; V143-L212 HydrophobicContact CG1-CB 3.92Å; V143-L212 HydrophobicContact CG1-CD1 4.13Å; F148-L212 HydrophobicContact CE2-CD1 4.24Å; F148-L212 HydrophobicContact CZ-CD1 4.36Å; D208-L212 PolarHBondContact O-N 3.41Å; M209-L212 HydrophobicContact CE-CD2 4.31Å; M209-L212 PolarHBondContact O-N 3.36Å; V210-L212 VanDerWaalsContact C-N 3.27Å; V210-L212 PolarHBondContact O-N 3.37Å; L212-Y214 PolarHBondContact O-N 2.85Å; L212-S215 WeakPolarHBondContact O-CB 3.29Å; L212-S215 PolarHBondContact O-N 3.06Å; L212-S215 VanDerWaalsContact O-N 3.14Å; L212-L216 PolarHBondContact O-N 3.04Å
213I98.5Very high97.6Very high1 Ų113.4 Ų13.41%0.0058%0.076CC..Hα-helixtrans-62.8-40.5175.1-78.4-69.6000112.1F123 M209 V210 S215 L216 A217 L247 V258 Y259 I262F123-I213 HydrophobicContact CE2-CD1 4.21Å; F123-I213 HydrophobicContact CZ-CD1 3.73Å; M209-I213 PolarHBondContact O-N 2.53Å; V210-I213 PolarHBondContact O-N 3.4Å; I213-S215 VanDerWaalsContact C-N 3.31Å; I213-S215 PolarHBondContact O-N 2.84Å; I213-L216 HydrophobicContact CD1-CD2 4.12Å; I213-L216 WeakPolarHBondContact O-CB 3.31Å; I213-L216 PolarHBondContact O-N 2.71Å; I213-A217 WeakPolarHBondContact O-CB 3.27Å; I213-A217 PolarHBondContact O-N 3.47Å; I213-L247 HydrophobicContact CG2-CD2 4.29Å; I213-V258 HydrophobicContact CD1-CG1 4.02Å; I213-Y259 HydrophobicContact CG2-CD2 3.77Å; I213-Y259 HydrophobicContact CG2-CE2 4.23Å; I213-I262 HydrophobicContact CD1-CD1 3.86Å; I213-I262 HydrophobicContact CG1-CD1 3.4Å; I213-I262 VanDerWaalsContact CG1-CD1 3.4Å; I213-I262 HydrophobicContact CG1-CG2 4.43Å
214Y98.5Very high97.5Very high0 Ų013.3 Ų13.30%08%0.075CC..Hα-helixtrans-65.9-36.7173.3-59.7-23.8000111.8Y192 V210 S211 L212 A217 E218 L224 W226 K239 L247Y192-Y214 WeakPolarHBondContact O-CD2 3.46Å; V210-Y214 HydrophobicContact CG1-CD2 4.17Å; V210-Y214 HydrophobicContact CG1-CE1 4.25Å; V210-Y214 HydrophobicContact CG1-CE2 3.46Å; V210-Y214 VanDerWaalsContact CG1-CE2 3.46Å; V210-Y214 PolarHBondContact O-N 2.77Å; V210-Y214 VanDerWaalsContact O-N 3.09Å; S211-Y214 PolarHBondContact O-N 3.34Å; L212-Y214 PolarHBondContact O-N 2.85Å; Y214-A217 PolarHBondContact O-N 3.12Å; Y214-E218 PolarHBondContact O-N 2.67Å; Y214-L224 WeakPolarHBondContact O-CD2 3.42Å; Y214-W226 AromaticContact CD1-CH2 3.66Å; Y214-W226 HydrophobicContact CD1-CH2 3.66Å; Y214-W226 AromaticContact CD1-CZ2 3.9Å; Y214-W226 HydrophobicContact CD1-CZ2 3.9Å; Y214-W226 HydrophobicContact CD2-CH2 4.3Å; Y214-W226 AromaticContact CD2-CZ2 3.85Å; Y214-W226 HydrophobicContact CD2-CZ2 3.85Å; Y214-W226 AromaticContact CE1-CH2 3.58Å; Y214-W226 HydrophobicContact CE1-CH2 3.58Å; Y214-W226 HydrophobicContact CE1-CZ2 4.13Å; Y214-W226 HydrophobicContact CE2-CH2 4.22Å; Y214-W226 HydrophobicContact CE2-CZ2 4.06Å; Y214-W226 HydrophobicContact CG-CH2 4.04Å; Y214-W226 AromaticContact CG-CZ2 3.77Å; Y214-W226 HydrophobicContact CG-CZ2 3.77Å; Y214-W226 AromaticContact CZ-CH2 3.87Å; Y214-K239 HydrophobicContact CE2-CD 4.01Å; Y214-K239 HydrophobicContact CE2-CG 4.47Å; Y214-L247 HydrophobicContact CD1-CD1 4.32Å; Y214-L247 HydrophobicContact CD1-CD2 3.9Å; Y214-L247 HydrophobicContact CE1-CD2 3.88Å
215S98.4Very high97.3Very high1 Ų115 Ų151%0.0079%0.086CC..Hα-helixtrans-64-42.5175.1-56.70000111.5S211 L212 I213 E218 M219S211-S215 PolarHBondContact O-N 3.33Å; S211-S215 PolarHBondContact O-OG 3.09Å; L212-S215 WeakPolarHBondContact O-CB 3.29Å; L212-S215 PolarHBondContact O-N 3.06Å; L212-S215 VanDerWaalsContact O-N 3.14Å; I213-S215 VanDerWaalsContact C-N 3.31Å; I213-S215 PolarHBondContact O-N 2.84Å; S215-E218 PolarHBondContact O-N 3.01Å; S215-M219 WeakPolarHBondContact O-CB 3.5Å; S215-M219 VanDerWaalsContact O-CG 3.29Å; S215-M219 WeakPolarHBondContact O-CG 3.41Å; S215-M219 PolarHBondContact O-N 2.82Å
216L98.5Very high97Very high0 Ų014.9 Ų14.90%09%0.085CC..Hα-helixtrans-58.2-50.5173.3171.171.2000111.7T119 F120 F123 L212 I213 E218 M219 A220 F251 M255T119-L216 HydrophobicContact CG2-CD1 3.3Å; F120-L216 HydrophobicContact CD1-CD1 4.4Å; F120-L216 HydrophobicContact CE1-CD1 4.42Å; F123-L216 HydrophobicContact CB-CD1 3.79Å; F123-L216 HydrophobicContact CD1-CD1 4.32Å; F123-L216 HydrophobicContact CD1-CD2 4.15Å; F123-L216 HydrophobicContact CD2-CB 3.67Å; F123-L216 HydrophobicContact CD2-CD1 3.86Å; F123-L216 HydrophobicContact CD2-CD2 3.95Å; F123-L216 HydrophobicContact CD2-CG 4.04Å; F123-L216 HydrophobicContact CE1-CD2 4Å; F123-L216 HydrophobicContact CE2-CB 3.77Å; F123-L216 HydrophobicContact CE2-CD1 4.48Å; F123-L216 HydrophobicContact CE2-CD2 3.74Å; F123-L216 HydrophobicContact CE2-CG 4.21Å; F123-L216 HydrophobicContact CG-CB 4.43Å; F123-L216 HydrophobicContact CG-CD1 3.75Å; F123-L216 HydrophobicContact CG-CD2 4.14Å; F123-L216 HydrophobicContact CG-CG 4.34Å; F123-L216 HydrophobicContact CZ-CD2 3.8Å; L212-L216 PolarHBondContact O-N 3.04Å; I213-L216 HydrophobicContact CD1-CD2 4.12Å; I213-L216 WeakPolarHBondContact O-CB 3.31Å; I213-L216 PolarHBondContact O-N 2.71Å; L216-E218 VanDerWaalsContact C-N 3.33Å; L216-E218 PolarHBondContact O-N 3.41Å; L216-M219 PolarHBondContact O-N 3.22Å; L216-A220 WeakPolarHBondContact O-CB 3.36Å; L216-A220 PolarHBondContact O-N 3.42Å; L216-F251 HydrophobicContact CD1-CE1 4.2Å; L216-F251 HydrophobicContact CD2-CE1 3.85Å; L216-F251 HydrophobicContact CG-CE1 3.88Å; L216-F251 HydrophobicContact CG-CZ 4.28Å; L216-M255 HydrophobicContact CD2-CE 3.42Å; L216-M255 VanDerWaalsContact CD2-CE 3.42Å
217A98Very high96.4Very high0 Ų016.6 Ų16.60%010%0.097CC..Hα-helixtrans-57.9-46.5179.600000111.2I213 Y214 A220 T221 L224 L247 L248I213-A217 WeakPolarHBondContact O-CB 3.27Å; I213-A217 PolarHBondContact O-N 3.47Å; Y214-A217 PolarHBondContact O-N 3.12Å; A217-A220 PolarHBondContact O-N 3.19Å; A217-T221 WeakPolarHBondContact O-CB 3.49Å; A217-T221 WeakPolarHBondContact O-CG2 3.43Å; A217-T221 PolarHBondContact O-N 3.49Å; A217-T221 PolarHBondContact O-OG1 2.75Å; A217-L224 HydrophobicContact CB-CD2 3.9Å; A217-L247 HydrophobicContact CB-CD1 3.8Å; A217-L247 HydrophobicContact CB-CG 4Å; A217-L247 WeakPolarHBondContact CB-O 3.17Å; A217-L248 HydrophobicContact CB-CD2 3.76Å
218E97.2Very high95.4Very high10 Ų1024.3 Ų24.35%0.04713%0.131CC..Hα-helixtrans-64.2-45.2177.4-169.8-176.7-125.900111.7R191 Y192 Y214 S215 L216 A220 T221 G222 L224R191-E218 VanDerWaalsContact CD-OE1 3.24Å; R191-E218 WeakPolarHBondContact CD-OE1 3.36Å; R191-E218 IonicContact CZ-OE1 2.63Å; R191-E218 IonicContact NE-OE1 3.77Å; R191-E218 IonicContact NH1-OE1 3.16Å; R191-E218 PolarHBondContact NH1-OE1 3.36Å; Y192-E218 WeakPolarHBondContact CE1-OE2 3.49Å; Y192-E218 VanDerWaalsContact CZ-OE2 3.26Å; Y192-E218 PolarHBondContact OH-OE1 3.4Å; Y192-E218 PolarHBondContact OH-OE2 3.19Å; Y214-E218 PolarHBondContact O-N 2.67Å; S215-E218 PolarHBondContact O-N 3.01Å; L216-E218 VanDerWaalsContact C-N 3.33Å; L216-E218 PolarHBondContact O-N 3.41Å; E218-A220 VanDerWaalsContact C-N 3.28Å; E218-A220 PolarHBondContact O-N 2.66Å; E218-T221 PolarHBondContact O-N 3.33Å; E218-G222 WeakPolarHBondContact O-CA 3.3Å; E218-G222 PolarHBondContact O-N 2.99Å; E218-L224 HydrophobicContact CB-CD1 4.41Å; E218-L224 HydrophobicContact CB-CD2 4.49Å; E218-L224 HydrophobicContact CB-CG 4.09Å
219M98Very high94.2Very high2 Ų227.4 Ų27.41%0.0115%0.147CC..Hα-helixtrans-59.2-38.8178.7-76.9-171.7-58.500112.3L102 L106 K113 F114 T119 P145 S215 L216L102-M219 HydrophobicContact CB-SD 4.36Å; L102-M219 HydrophobicContact CD1-SD 4.02Å; L106-M219 HydrophobicContact CD2-CG 4.49Å; K113-M219 CarbonylContact C-O 3.54Å; K113-M219 WeakPolarHBondContact CA-O 3.47Å; F114-M219 HydrophobicContact CD2-CB 3.96Å; F114-M219 HydrophobicContact CD2-CG 4.07Å; F114-M219 HydrophobicContact CD2-SD 4.14Å; F114-M219 HydrophobicContact CE2-CG 4.14Å; F114-M219 HydrophobicContact CE2-SD 4.02Å; F114-M219 PolarHBondContact N-O 2.87Å; T119-M219 HydrophobicContact CG2-CB 4.47Å; P145-M219 HydrophobicContact CG-CG 4.29Å; S215-M219 WeakPolarHBondContact O-CB 3.5Å; S215-M219 VanDerWaalsContact O-CG 3.29Å; S215-M219 WeakPolarHBondContact O-CG 3.41Å; S215-M219 PolarHBondContact O-N 2.82Å; L216-M219 PolarHBondContact O-N 3.22Å
220A97.1Very high92.8Very high10 Ų1029 Ų298%0.08316%0.155CC..Hα-helixtrans-80.6-32.4-178.300000114.5Y116 T119 L216 A217 E218 F251Y116-A220 HydrophobicContact CE1-CB 4.16Å; T119-A220 HydrophobicContact CG2-CB 4.09Å; L216-A220 WeakPolarHBondContact O-CB 3.36Å; L216-A220 PolarHBondContact O-N 3.42Å; A217-A220 PolarHBondContact O-N 3.19Å; E218-A220 VanDerWaalsContact C-N 3.28Å; E218-A220 PolarHBondContact O-N 2.66Å; A220-F251 HydrophobicContact CB-CE2 3.63Å; A220-F251 HydrophobicContact CB-CZ 3.35Å
221T95.2Very high91.6Very high42 Ų4235.2 Ų35.226%0.25818%0.183SC..Hα-helixtrans-110-14.8-170.767.90000113.4A217 E218 K223 P249A217-T221 WeakPolarHBondContact O-CB 3.49Å; A217-T221 WeakPolarHBondContact O-CG2 3.43Å; A217-T221 PolarHBondContact O-N 3.49Å; A217-T221 PolarHBondContact O-OG1 2.75Å; E218-T221 PolarHBondContact O-N 3.33Å; T221-K223 VanDerWaalsContact C-N 3.27Å; T221-K223 PolarHBondContact O-N 3.1Å; T221-K223 PolarHBondContact OG1-N 3Å; T221-K223 PolarHBondContact OG1-O 3.4Å; T221-P249 HydrophobicContact CG2-CG 3.76Å
222G93.4Very high90.4Very high29 Ų2936.5 Ų36.530%0.29919%0.191SC..SBendtrans78.9-1.3-17600000115.1K112 E218K112-G222 WeakPolarHBondContact O-CA 3.46Å; E218-G222 WeakPolarHBondContact O-CA 3.3Å; E218-G222 PolarHBondContact O-N 2.99Å
223K92.9Very high89Confident146 Ų14643.8 Ų43.864%0.63524%0.235SC*.SBendtrans-155.7166.8-179.561.2-179.3178.7179.10112.1T221T221-K223 VanDerWaalsContact C-N 3.27Å; T221-K223 PolarHBondContact O-N 3.1Å; T221-K223 PolarHBondContact OG1-N 3Å; T221-K223 PolarHBondContact OG1-O 3.4Å
224L95Very high88.4Confident6 Ų646.7 Ų46.73%0.03125%0.25CS..  trans-112.6155.8167-73.1166.4000110.5R191 Y192 Y214 A217 E218 W226 S227 L247R191-L224 HydrophobicContact CG-CD1 3.64Å; Y192-L224 HydrophobicContact CD1-CD1 4.32Å; Y192-L224 HydrophobicContact CE1-CD1 4.3Å; Y214-L224 WeakPolarHBondContact O-CD2 3.42Å; A217-L224 HydrophobicContact CB-CD2 3.9Å; E218-L224 HydrophobicContact CB-CD1 4.41Å; E218-L224 HydrophobicContact CB-CD2 4.49Å; E218-L224 HydrophobicContact CB-CG 4.09Å; L224-W226 HydrophobicContact CB-CD2 4.26Å; L224-W226 HydrophobicContact CB-CZ2 4.21Å; L224-W226 HydrophobicContact CD1-CZ2 3.92Å; L224-W226 HydrophobicContact CD2-CH2 4.31Å; L224-W226 HydrophobicContact CD2-CZ2 3.98Å; L224-W226 HydrophobicContact CG-CZ2 4.27Å; L224-W226 PolarHBondContact O-N 2.93Å; L224-S227 PolarHBondContact N-OG 3.33Å; L224-S227 WeakPolarHBondContact O-CB 3.35Å; L224-S227 PolarHBondContact O-N 2.99Å; L224-S227 PolarHBondContact O-OG 3.23Å; L224-L247 HydrophobicContact CD2-CD1 3.66Å
225P92.7Very high88Confident36 Ų3646.9 Ų46.923%0.23425%0.251CS..THydrogen-bonded Turntrans-59.2-15.2177.9-27.938.1000114.8F228 V242 V246 L247P225-F228 WeakPolarHBondContact O-CE1 3.47Å; P225-F228 WeakPolarHBondContact O-CZ 3.46Å; P225-V242 HydrophobicContact CB-CG2 4.09Å; P225-V242 HydrophobicContact CG-CG2 3.95Å; P225-V246 HydrophobicContact CB-CG1 4.42Å; P225-V246 HydrophobicContact CG-CG1 4.12Å; P225-L247 HydrophobicContact CG-CD1 4.11Å
226W93.5Very high87.8Confident0 Ų049.5 Ų49.50%026%0.263CS..THydrogen-bonded Turntrans-112.410.5176.350.482.8000113.6R191 Y214 L224 F228 D229 I235 I238 K239 V242 L247R191-W226 PolarHBondContact O-NE1 3.23Å; Y214-W226 AromaticContact CD1-CH2 3.66Å; Y214-W226 HydrophobicContact CD1-CH2 3.66Å; Y214-W226 AromaticContact CD1-CZ2 3.9Å; Y214-W226 HydrophobicContact CD1-CZ2 3.9Å; Y214-W226 HydrophobicContact CD2-CH2 4.3Å; Y214-W226 AromaticContact CD2-CZ2 3.85Å; Y214-W226 HydrophobicContact CD2-CZ2 3.85Å; Y214-W226 AromaticContact CE1-CH2 3.58Å; Y214-W226 HydrophobicContact CE1-CH2 3.58Å; Y214-W226 HydrophobicContact CE1-CZ2 4.13Å; Y214-W226 HydrophobicContact CE2-CH2 4.22Å; Y214-W226 HydrophobicContact CE2-CZ2 4.06Å; Y214-W226 HydrophobicContact CG-CH2 4.04Å; Y214-W226 AromaticContact CG-CZ2 3.77Å; Y214-W226 HydrophobicContact CG-CZ2 3.77Å; Y214-W226 AromaticContact CZ-CH2 3.87Å; L224-W226 HydrophobicContact CB-CD2 4.26Å; L224-W226 HydrophobicContact CB-CZ2 4.21Å; L224-W226 HydrophobicContact CD1-CZ2 3.92Å; L224-W226 HydrophobicContact CD2-CH2 4.31Å; L224-W226 HydrophobicContact CD2-CZ2 3.98Å; L224-W226 HydrophobicContact CG-CZ2 4.27Å; L224-W226 PolarHBondContact O-N 2.93Å; W226-F228 PolarHBondContact O-N 3.22Å; W226-F228 VanDerWaalsContact O-N 3.09Å; W226-D229 CarbonylContact O-C 3.57Å; W226-D229 PolarHBondContact O-N 3.42Å; W226-I235 HydrophobicContact CG-CG1 4.45Å; W226-I238 HydrophobicContact CB-CG2 4.27Å; W226-I238 HydrophobicContact CE3-CG2 3.9Å; W226-K239 HydrophobicContact CD2-CG 4.09Å; W226-K239 HydrophobicContact CE3-CG 3.98Å; W226-K239 HydrophobicContact CH2-CG 3.93Å; W226-K239 HydrophobicContact CZ2-CD 4.33Å; W226-K239 HydrophobicContact CZ2-CG 4.05Å; W226-K239 HydrophobicContact CZ3-CG 3.9Å; W226-V242 HydrophobicContact CZ3-CG1 4.09Å; W226-L247 HydrophobicContact CH2-CD1 3.9Å; W226-L247 HydrophobicContact CZ3-CD1 4.25Å
227S85.6Confident87.5Confident39 Ų3956.1 Ų56.127%0.27329%0.288SS..THydrogen-bonded Turntrans-61.6-18.3-178.2-70.50000114.3L224L224-S227 PolarHBondContact N-OG 3.33Å; L224-S227 WeakPolarHBondContact O-CB 3.35Å; L224-S227 PolarHBondContact O-N 2.99Å; L224-S227 PolarHBondContact O-OG 3.23Å
228F77.8Confident87.3Confident167 Ų16757.8 Ų57.873%0.73230%0.297SS*.THydrogen-bonded Turntrans-77.4-25.6179.751.8-101.7000113.7P225 W226P225-F228 WeakPolarHBondContact O-CE1 3.47Å; P225-F228 WeakPolarHBondContact O-CZ 3.46Å; W226-F228 PolarHBondContact O-N 3.22Å; W226-F228 VanDerWaalsContact O-N 3.09Å
229D73.8Confident87.2Confident68 Ų6857.3 Ų57.336%0.36430%0.295SS..  trans-158.290.3175-169.7-12000111.8W226 H231 T232W226-D229 CarbonylContact O-C 3.57Å; W226-D229 PolarHBondContact O-N 3.42Å; D229-H231 PolarHBondContact O-N 3.49Å; D229-H231 WeakPolarHBondContact OD1-CA 3.17Å; D229-H231 PolarHBondContact OD1-N 2.94Å; D229-T232 HydrophobicContact CB-CG2 3.61Å; D229-T232 PolarHBondContact O-OG1 2.91Å; D229-T232 PolarHBondContact OD1-N 3.21Å; D229-T232 WeakPolarHBondContact OD2-CG2 3.42Å
230E69.4Low87Confident33 Ų3362.7 Ų62.715%0.15432%0.315CS..THydrogen-bonded Turntrans-76.2-8.6177.3-59.2173.3-153.300113.6R191 I235R191-E230 WeakPolarHBondContact CB-OE2 3.47Å; R191-E230 IonicContact CZ-OE1 3.97Å; R191-E230 IonicContact NE-OE1 3.45Å; R191-E230 PolarHBondContact NE-OE1 3.04Å; R191-E230 IonicContact NE-OE2 3.39Å; R191-E230 IonicContact NH2-OE1 2.91Å; R191-E230 PolarHBondContact NH2-OE1 3.4Å; E230-I235 HydrophobicContact CB-CD1 4.38Å
231H72.4Confident86.9Confident141 Ų14166.3 Ų66.365%0.65334%0.336SS*.THydrogen-bonded Turntrans-103.2-3.2-176.4-67.2-66.9000112.9D229D229-H231 PolarHBondContact O-N 3.49Å; D229-H231 WeakPolarHBondContact OD1-CA 3.17Å; D229-H231 PolarHBondContact OD1-N 2.94Å
232T73.8Confident86.8Confident35 Ų3565 Ų6522%0.21533%0.328CS..SBendtrans-51.2142.6168.756.70000111.5D229 D234 I235D229-T232 HydrophobicContact CB-CG2 3.61Å; D229-T232 PolarHBondContact O-OG1 2.91Å; D229-T232 PolarHBondContact OD1-N 3.21Å; D229-T232 WeakPolarHBondContact OD2-CG2 3.42Å; T232-D234 PolarHBondContact O-N 3.4Å; T232-D234 VanDerWaalsContact O-N 3.12Å; T232-I235 PolarHBondContact OG1-N 3.23Å
233V69.3Low86.9Confident153 Ų15367 Ų6793%0.92734%0.335SS*.THydrogen-bonded Turntrans-61.8-16170.7-178.80000111.1
234D85.5Confident87.1Confident62 Ų6262.2 Ų62.233%0.33232%0.315SS..THydrogen-bonded Turntrans-102.93.9-168.7-148.513.3000114.5T232 E236 R237 I238T232-D234 PolarHBondContact O-N 3.4Å; T232-D234 VanDerWaalsContact O-N 3.12Å; D234-E236 PolarHBondContact O-N 2.75Å; D234-R237 PolarHBondContact O-N 3.49Å; D234-R237 VanDerWaalsContact O-N 3.08Å; D234-R237 WeakPolarHBondContact OD1-CB 3.46Å; D234-R237 VanDerWaalsContact OD1-CD 3.32Å; D234-R237 WeakPolarHBondContact OD1-CD 3.29Å; D234-R237 IonicContact OD1-CZ 2.68Å; D234-R237 IonicContact OD1-NE 3.81Å; D234-R237 PolarHBondContact OD1-NE 3.49Å; D234-R237 IonicContact OD1-NH2 3.23Å; D234-R237 IonicContact OD2-CZ 3.5Å; D234-R237 IonicContact OD2-NE 2.83Å; D234-R237 PolarHBondContact OD2-NE 3.35Å; D234-R237 IonicContact OD2-NH2 3.51Å; D234-R237 PolarHBondContact OD2-NH2 2.84Å; D234-I238 WeakPolarHBondContact O-CG1 3.44Å; D234-I238 PolarHBondContact O-N 3.14Å
235I91Very high87.2Confident4 Ų466.8 Ų66.82%0.02134%0.336CS..Hα-helixtrans-58-34-178.3-170.1173000112.5H198 W226 E230 T232 K239H198-I235 WeakPolarHBondContact CE1-CG2 3.29Å; H198-I235 WeakPolarHBondContact ND1-CG2 3.34Å; W226-I235 HydrophobicContact CG-CG1 4.45Å; E230-I235 HydrophobicContact CB-CD1 4.38Å; T232-I235 PolarHBondContact OG1-N 3.23Å; I235-K239 HydrophobicContact CG1-CD 4.21Å; I235-K239 HydrophobicContact CG1-CG 4.45Å; I235-K239 WeakPolarHBondContact O-CB 3.49Å; I235-K239 VanDerWaalsContact O-CG 3.27Å; I235-K239 WeakPolarHBondContact O-CG 3.42Å; I235-K239 PolarHBondContact O-N 3.44Å
236E93.1Very high87.3Confident57 Ų5769.1 Ų69.127%0.26635%0.35SS..Hα-helixtrans-61-51.8174.7-172.8-171154.800111P195 H198 D234 I238 K239 R240P195-E236 HydrophobicContact CB-CG 4.24Å; H198-E236 HydrophobicContact CB-CB 3.82Å; H198-E236 HydrophobicContact CB-CG 4.05Å; D234-E236 PolarHBondContact O-N 2.75Å; E236-I238 VanDerWaalsContact C-N 3.34Å; E236-I238 PolarHBondContact O-N 3.01Å; E236-K239 PolarHBondContact O-N 2.74Å; E236-R240 WeakPolarHBondContact O-CG 3.47Å; E236-R240 PolarHBondContact O-N 2.93Å; E236-R240 IonicContact OE1-CZ 2.7Å; E236-R240 VanDerWaalsContact OE1-CZ 3.25Å; E236-R240 IonicContact OE1-NE 2.94Å; E236-R240 PolarHBondContact OE1-NE 3Å; E236-R240 IonicContact OE1-NH2 3.55Å; E236-R240 PolarHBondContact OE1-NH2 3.27Å
237R93.2Very high87.4Confident138 Ų13869.2 Ų69.252%0.52135%0.35SS..Hα-helixtrans-59.4-47.8-179.7-171.7-178.767.286.1-2.1110.4D234 K239 R240 T241D234-R237 PolarHBondContact O-N 3.49Å; D234-R237 VanDerWaalsContact O-N 3.08Å; D234-R237 WeakPolarHBondContact OD1-CB 3.46Å; D234-R237 VanDerWaalsContact OD1-CD 3.32Å; D234-R237 WeakPolarHBondContact OD1-CD 3.29Å; D234-R237 IonicContact OD1-CZ 2.68Å; D234-R237 IonicContact OD1-NE 3.81Å; D234-R237 PolarHBondContact OD1-NE 3.49Å; D234-R237 IonicContact OD1-NH2 3.23Å; D234-R237 IonicContact OD2-CZ 3.5Å; D234-R237 IonicContact OD2-NE 2.83Å; D234-R237 PolarHBondContact OD2-NE 3.35Å; D234-R237 IonicContact OD2-NH2 3.51Å; D234-R237 PolarHBondContact OD2-NH2 2.84Å; R237-K239 VanDerWaalsContact C-N 3.28Å; R237-K239 PolarHBondContact O-N 2.97Å; R237-R240 PolarHBondContact O-N 3.39Å; R237-T241 HydrophobicContact CG-CG2 4.29Å; R237-T241 WeakPolarHBondContact O-CG2 3.49Å; R237-T241 PolarHBondContact O-N 2.94Å; R237-T241 PolarHBondContact O-OG1 2.96Å
238I93.1Very high87.9Confident36 Ų3667.4 Ų67.419%0.18534%0.337CS..Hα-helixtrans-54.1-47.8177.7-67.7164.9000110.2W226 D234 E236 R240 T241 V242W226-I238 HydrophobicContact CB-CG2 4.27Å; W226-I238 HydrophobicContact CE3-CG2 3.9Å; D234-I238 WeakPolarHBondContact O-CG1 3.44Å; D234-I238 PolarHBondContact O-N 3.14Å; E236-I238 VanDerWaalsContact C-N 3.34Å; E236-I238 PolarHBondContact O-N 3.01Å; I238-R240 VanDerWaalsContact C-N 3.31Å; I238-R240 PolarHBondContact O-N 3.05Å; I238-T241 PolarHBondContact O-N 3.43Å; I238-V242 VanDerWaalsContact O-CB 3.3Å; I238-V242 WeakPolarHBondContact O-CB 3.43Å; I238-V242 PolarHBondContact O-N 3.45Å
239K95.1Very high88.7Confident0 Ų061.7 Ų61.70%032%0.317CS..Hα-helixtrans-67.2-28.2180-72179.5177.7-159.30113.8R190 R191 A193 P195 Y214 W226 I235 E236 R237R190-K239 PolarHBondContact O-NZ 2.76Å; R191-K239 PolarHBondContact O-NZ 3.28Å; A193-K239 PolarHBondContact O-NZ 3.36Å; P195-K239 HydrophobicContact CG-CB 3.83Å; Y214-K239 HydrophobicContact CE2-CD 4.01Å; Y214-K239 HydrophobicContact CE2-CG 4.47Å; W226-K239 HydrophobicContact CD2-CG 4.09Å; W226-K239 HydrophobicContact CE3-CG 3.98Å; W226-K239 HydrophobicContact CH2-CG 3.93Å; W226-K239 HydrophobicContact CZ2-CD 4.33Å; W226-K239 HydrophobicContact CZ2-CG 4.05Å; W226-K239 HydrophobicContact CZ3-CG 3.9Å; I235-K239 HydrophobicContact CG1-CD 4.21Å; I235-K239 HydrophobicContact CG1-CG 4.45Å; I235-K239 WeakPolarHBondContact O-CB 3.49Å; I235-K239 VanDerWaalsContact O-CG 3.27Å; I235-K239 WeakPolarHBondContact O-CG 3.42Å; I235-K239 PolarHBondContact O-N 3.44Å; E236-K239 PolarHBondContact O-N 2.74Å; R237-K239 VanDerWaalsContact C-N 3.28Å; R237-K239 PolarHBondContact O-N 2.97Å
240R94.4Very high89.6Confident114 Ų11465.6 Ų65.643%0.4334%0.338SS..Hα-helixtrans-77.8-31.2174.5-68.9-176-174.2-72.8-0.6113P195 E236 R237 I238P195-R240 HydrophobicContact CB-CG 3.71Å; P195-R240 HydrophobicContact CG-CG 4Å; E236-R240 WeakPolarHBondContact O-CG 3.47Å; E236-R240 PolarHBondContact O-N 2.93Å; E236-R240 IonicContact OE1-CZ 2.7Å; E236-R240 VanDerWaalsContact OE1-CZ 3.25Å; E236-R240 IonicContact OE1-NE 2.94Å; E236-R240 PolarHBondContact OE1-NE 3Å; E236-R240 IonicContact OE1-NH2 3.55Å; E236-R240 PolarHBondContact OE1-NH2 3.27Å; R237-R240 PolarHBondContact O-N 3.39Å; I238-R240 VanDerWaalsContact C-N 3.31Å; I238-R240 PolarHBondContact O-N 3.05Å
241T94Very high90.9Very high86 Ų8664.5 Ų64.553%0.52833%0.332SS..Hα-helixtrans-107.5-8.6-17162.70000114.4R237 I238 P243R237-T241 HydrophobicContact CG-CG2 4.29Å; R237-T241 WeakPolarHBondContact O-CG2 3.49Å; R237-T241 PolarHBondContact O-N 2.94Å; R237-T241 PolarHBondContact O-OG1 2.96Å; I238-T241 PolarHBondContact O-N 3.43Å; T241-P243 WeakPolarHBondContact O-CD 3.32Å
242V94Very high92Very high15 Ų1558.4 Ų58.49%0.09131%0.305CS..  trans-58.7124.3178.965.20000109.9P225 W226 I238 V246 L247P225-V242 HydrophobicContact CB-CG2 4.09Å; P225-V242 HydrophobicContact CG-CG2 3.95Å; W226-V242 HydrophobicContact CZ3-CG1 4.09Å; I238-V242 VanDerWaalsContact O-CB 3.3Å; I238-V242 WeakPolarHBondContact O-CB 3.43Å; I238-V242 PolarHBondContact O-N 3.45Å; V242-V246 HydrophobicContact CG2-CB 4.31Å; V242-V246 HydrophobicContact CG2-CG1 4.27Å; V242-L247 HydrophobicContact CG2-CB 4.36Å
243P96Very high93.1Very high70 Ų7062.3 Ų62.346%0.45532%0.321SS..  trans-63.2139.1172.8-21.633.4000110.1T241 E245 V246 L247T241-P243 WeakPolarHBondContact O-CD 3.32Å; P243-E245 WeakPolarHBondContact CB-OE2 3.06Å; P243-E245 PolarHBondContact O-N 3Å; P243-V246 HydrophobicContact CB-CB 4.45Å; P243-V246 HydrophobicContact CB-CG2 4.05Å; P243-V246 HydrophobicContact CG-CG2 4.1Å; P243-V246 WeakPolarHBondContact O-CB 3.3Å; P243-V246 PolarHBondContact O-N 3.41Å; P243-L247 PolarHBondContact O-N 3.31Å; P243-L247 VanDerWaalsContact O-N 3.14Å
244K96.2Very high94.5Very high47 Ų4756.1 Ų56.120%0.20428%0.282CS..Hα-helixtrans-61.7-29.5-179.565-169171.8-160.90112.2V246 L247 L248 F256 Y259 D260K244-V246 VanDerWaalsContact C-N 3.27Å; K244-V246 PolarHBondContact O-N 3.01Å; K244-L247 PolarHBondContact O-N 2.98Å; K244-L248 WeakPolarHBondContact O-CA 3.47Å; K244-L248 WeakPolarHBondContact O-CB 3.13Å; K244-L248 PolarHBondContact O-N 2.99Å; K244-F256 HydrophobicContact CD-CB 4.08Å; K244-F256 HydrophobicContact CD-CD1 4.46Å; K244-F256 HydrophobicContact CD-CG 4.3Å; K244-F256 HydrophobicContact CG-CD1 4.33Å; K244-Y259 HydrophobicContact CB-CD1 3.49Å; K244-Y259 VanDerWaalsContact CB-CD1 3.49Å; K244-Y259 HydrophobicContact CB-CD2 4.48Å; K244-Y259 HydrophobicContact CB-CE1 3.56Å; K244-Y259 HydrophobicContact CB-CG 3.98Å; K244-Y259 HydrophobicContact CD-CD1 3.94Å; K244-Y259 HydrophobicContact CD-CE1 4.45Å; K244-Y259 HydrophobicContact CG-CD1 4.37Å; K244-D260 WeakPolarHBondContact CD-OD1 3.47Å; K244-D260 IonicContact NZ-OD1 2.67Å; K244-D260 PolarHBondContact NZ-OD1 3Å; K244-D260 IonicContact NZ-OD2 3.49Å; K244-D260 PolarHBondContact NZ-OD2 3.29Å
245E96.4Very high95.1Very high102 Ų10253.2 Ų53.248%0.47727%0.267SS..Hα-helixtrans-67.4-28.4175.8-57.874.4-162.600112.1P243 P249P243-E245 WeakPolarHBondContact CB-OE2 3.06Å; P243-E245 PolarHBondContact O-N 3Å; E245-P249 WeakPolarHBondContact O-CA 3.44Å
246V95.9Very high95.4Very high85 Ų8555.2 Ų55.252%0.51528%0.275SS..Hα-helixtrans-79.5-37.2174.6174.90000110.8P225 V242 P243 K244P225-V246 HydrophobicContact CB-CG1 4.42Å; P225-V246 HydrophobicContact CG-CG1 4.12Å; V242-V246 HydrophobicContact CG2-CB 4.31Å; V242-V246 HydrophobicContact CG2-CG1 4.27Å; P243-V246 HydrophobicContact CB-CB 4.45Å; P243-V246 HydrophobicContact CB-CG2 4.05Å; P243-V246 HydrophobicContact CG-CG2 4.1Å; P243-V246 WeakPolarHBondContact O-CB 3.3Å; P243-V246 PolarHBondContact O-N 3.41Å; K244-V246 VanDerWaalsContact C-N 3.27Å; K244-V246 PolarHBondContact O-N 3.01Å
247L96.2Very high95.7Very high2 Ų255.7 Ų55.71%0.0128%0.279CS..Hα-helixtrans-75-39.8179-178.265.7000112.5I213 Y214 A217 L224 P225 W226 V242 P243 K244 P249 Y259I213-L247 HydrophobicContact CG2-CD2 4.29Å; Y214-L247 HydrophobicContact CD1-CD1 4.32Å; Y214-L247 HydrophobicContact CD1-CD2 3.9Å; Y214-L247 HydrophobicContact CE1-CD2 3.88Å; A217-L247 HydrophobicContact CB-CD1 3.8Å; A217-L247 HydrophobicContact CB-CG 4Å; A217-L247 WeakPolarHBondContact CB-O 3.17Å; L224-L247 HydrophobicContact CD2-CD1 3.66Å; P225-L247 HydrophobicContact CG-CD1 4.11Å; W226-L247 HydrophobicContact CH2-CD1 3.9Å; W226-L247 HydrophobicContact CZ3-CD1 4.25Å; V242-L247 HydrophobicContact CG2-CB 4.36Å; P243-L247 PolarHBondContact O-N 3.31Å; P243-L247 VanDerWaalsContact O-N 3.14Å; K244-L247 PolarHBondContact O-N 2.98Å; L247-P249 VanDerWaalsContact O-CD 3.28Å; L247-P249 WeakPolarHBondContact O-CD 3.46Å; L247-Y259 HydrophobicContact CD2-CD2 4.05Å; L247-Y259 HydrophobicContact CD2-CE2 3.46Å; L247-Y259 VanDerWaalsContact CD2-CE2 3.46Å
248L96.2Very high95.9Very high0 Ų049.1 Ų49.10%026%0.255CS..SBendtrans-120.758.5-174.6-58.6176.7000110.6A217 K244 N250 F251 F256 Y259A217-L248 HydrophobicContact CB-CD2 3.76Å; K244-L248 WeakPolarHBondContact O-CA 3.47Å; K244-L248 WeakPolarHBondContact O-CB 3.13Å; K244-L248 PolarHBondContact O-N 2.99Å; L248-N250 PolarHBondContact O-N 2.89Å; L248-F251 HydrophobicContact CB-CB 4Å; L248-F251 HydrophobicContact CB-CD1 4.23Å; L248-F251 HydrophobicContact CB-CD2 3.93Å; L248-F251 HydrophobicContact CB-CE2 4.46Å; L248-F251 HydrophobicContact CB-CG 3.79Å; L248-F251 HydrophobicContact CD2-CD1 4.11Å; L248-F251 HydrophobicContact CD2-CE1 3.91Å; L248-F251 HydrophobicContact CD2-CE2 4.32Å; L248-F251 HydrophobicContact CD2-CG 4.42Å; L248-F251 HydrophobicContact CD2-CZ 4Å; L248-F251 WeakPolarHBondContact O-CB 3.44Å; L248-F251 PolarHBondContact O-N 2.75Å; L248-F256 HydrophobicContact CB-CD1 4.44Å; L248-F256 HydrophobicContact CB-CE1 3.95Å; L248-F256 HydrophobicContact CD1-CD1 4.45Å; L248-F256 WeakPolarHBondContact O-CE1 3.46Å; L248-Y259 HydrophobicContact CD1-CD2 4.14Å; L248-Y259 HydrophobicContact CD1-CG 4.34Å
249P94Very high96.2Very high47 Ų4748.1 Ų48.131%0.30525%0.249SC..THydrogen-bonded Turntrans-65.1131.1-174.728.8-35.8000111.2Y116 T221 E245 L247 F251Y116-P249 PolarHBondContact OH-O 3.44Å; T221-P249 HydrophobicContact CG2-CG 3.76Å; E245-P249 WeakPolarHBondContact O-CA 3.44Å; L247-P249 VanDerWaalsContact O-CD 3.28Å; L247-P249 WeakPolarHBondContact O-CD 3.46Å; P249-F251 PolarHBondContact O-N 2.91Å
250N92.1Very high96.3Very high150 Ų15051.5 Ų51.580%0.80227%0.267SS*.THydrogen-bonded Turntrans62.216.7-178.8-46.4-60.2000115Y116 L248Y116-N250 PolarHBondContact OH-O 3.48Å; L248-N250 PolarHBondContact O-N 2.89Å
251F96.6Very high96.5Very high10 Ų1048.5 Ų48.54%0.04426%0.256CS..  trans-69.6149.4172.1-85.7-125.1000110.6Y116 F120 L216 A220 L248 P249 M255 F256Y116-F251 HydrophobicContact CE1-CD2 4.29Å; Y116-F251 AromaticContact CE1-CE2 3.97Å; Y116-F251 HydrophobicContact CE1-CE2 3.97Å; Y116-F251 HydrophobicContact CE1-CZ 4.29Å; Y116-F251 WeakPolarHBondContact OH-CD2 2.87Å; F120-F251 AromaticContact CE1-CD1 4Å; F120-F251 HydrophobicContact CE1-CD1 4Å; F120-F251 AromaticContact CE1-CE1 3.83Å; F120-F251 HydrophobicContact CE1-CE1 3.83Å; F120-F251 AromaticContact CZ-CD1 3.9Å; F120-F251 HydrophobicContact CZ-CD1 3.9Å; F120-F251 AromaticContact CZ-CE1 3.96Å; F120-F251 HydrophobicContact CZ-CE1 3.96Å; L216-F251 HydrophobicContact CD1-CE1 4.2Å; L216-F251 HydrophobicContact CD2-CE1 3.85Å; L216-F251 HydrophobicContact CG-CE1 3.88Å; L216-F251 HydrophobicContact CG-CZ 4.28Å; A220-F251 HydrophobicContact CB-CE2 3.63Å; A220-F251 HydrophobicContact CB-CZ 3.35Å; L248-F251 HydrophobicContact CB-CB 4Å; L248-F251 HydrophobicContact CB-CD1 4.23Å; L248-F251 HydrophobicContact CB-CD2 3.93Å; L248-F251 HydrophobicContact CB-CE2 4.46Å; L248-F251 HydrophobicContact CB-CG 3.79Å; L248-F251 HydrophobicContact CD2-CD1 4.11Å; L248-F251 HydrophobicContact CD2-CE1 3.91Å; L248-F251 HydrophobicContact CD2-CE2 4.32Å; L248-F251 HydrophobicContact CD2-CG 4.42Å; L248-F251 HydrophobicContact CD2-CZ 4Å; L248-F251 WeakPolarHBondContact O-CB 3.44Å; L248-F251 PolarHBondContact O-N 2.75Å; P249-F251 PolarHBondContact O-N 2.91Å; F251-M255 HydrophobicContact CB-CB 4.14Å; F251-M255 HydrophobicContact CD1-CB 3.84Å; F251-M255 HydrophobicContact CD1-CG 3.9Å; F251-F256 HydrophobicContact CB-CE1 4.15Å
252P96.3Very high96.8Very high13 Ų1344.5 Ų44.58%0.08423%0.231CC..  trans-58.3150.5170.3-24.636.4000112E254 M255 V283 L287P252-E254 WeakPolarHBondContact CB-OE2 3.37Å; P252-E254 PolarHBondContact O-N 3.18Å; P252-M255 WeakPolarHBondContact O-CB 3.46Å; P252-M255 PolarHBondContact O-N 2.95Å; P252-V283 HydrophobicContact CB-CG1 4.36Å; P252-V283 HydrophobicContact CB-CG2 3.92Å; P252-V283 HydrophobicContact CG-CG1 3.79Å; P252-V283 HydrophobicContact CG-CG2 4.25Å; P252-L287 HydrophobicContact CG-CD1 4.26Å
253E96.8Very high96.9Very high118 Ų11846.8 Ų46.855%0.55124%0.241SC*.Hα-helixtrans-58.9-31.7-174.170.6-160.9134.400113.1M255 F256 D257 R286E253-M255 PolarHBondContact O-N 3.32Å; E253-M255 VanDerWaalsContact O-N 3.15Å; E253-F256 WeakPolarHBondContact O-CA 3.45Å; E253-F256 WeakPolarHBondContact O-CB 3.35Å; E253-F256 PolarHBondContact O-N 3.42Å; E253-D257 PolarHBondContact O-N 2.91Å; E253-D257 VanDerWaalsContact O-N 3.15Å; E253-R286 IonicContact OE1-CZ 3.85Å; E253-R286 IonicContact OE1-NH1 2.79Å; E253-R286 PolarHBondContact OE1-NH1 3.15Å
254E98.2Very high97Very high23 Ų2347.1 Ų47.111%0.10725%0.245CC..Hα-helixtrans-59.5-29.2176.9-57.887.5162.900111.6P252 D257 V258 K279 N282 V283 R286P252-E254 WeakPolarHBondContact CB-OE2 3.37Å; P252-E254 PolarHBondContact O-N 3.18Å; E254-D257 WeakPolarHBondContact O-CB 3.33Å; E254-D257 PolarHBondContact O-N 2.77Å; E254-V258 WeakPolarHBondContact O-CG2 3.35Å; E254-V258 PolarHBondContact O-N 3.09Å; E254-V258 VanDerWaalsContact O-N 3.09Å; E254-K279 HydrophobicContact CB-CB 4.43Å; E254-K279 HydrophobicContact CB-CD 4.07Å; E254-K279 HydrophobicContact CG-CD 4.45Å; E254-N282 HydrophobicContact CG-CB 4.4Å; E254-V283 HydrophobicContact CB-CG2 3.71Å; E254-V283 HydrophobicContact CG-CG2 4.22Å; E254-R286 IonicContact OE1-NH1 3.35Å; E254-R286 PolarHBondContact OE1-NH1 3.23Å; E254-R286 IonicContact OE2-NH1 2.77Å; E254-R286 PolarHBondContact OE2-NH1 2.81Å
255M98.3Very high97.1Very high0 Ų045.8 Ų45.80%024%0.24CC..Hα-helixtrans-78.3-23.4176.4-63.4-57.1-46.500112.7F120 F123 L216 F251 P252 E253 V258 Y259 V280 V283F120-M255 HydrophobicContact CD1-SD 4.29Å; F120-M255 HydrophobicContact CE1-CE 4.37Å; F120-M255 HydrophobicContact CE1-CG 3.77Å; F120-M255 HydrophobicContact CE1-SD 3.83Å; F120-M255 HydrophobicContact CZ-CG 4.16Å; F123-M255 HydrophobicContact CD1-CE 4.3Å; F123-M255 HydrophobicContact CE1-CE 3.7Å; F123-M255 HydrophobicContact CZ-CE 4.26Å; L216-M255 HydrophobicContact CD2-CE 3.42Å; L216-M255 VanDerWaalsContact CD2-CE 3.42Å; F251-M255 HydrophobicContact CB-CB 4.14Å; F251-M255 HydrophobicContact CD1-CB 3.84Å; F251-M255 HydrophobicContact CD1-CG 3.9Å; P252-M255 WeakPolarHBondContact O-CB 3.46Å; P252-M255 PolarHBondContact O-N 2.95Å; E253-M255 PolarHBondContact O-N 3.32Å; E253-M255 VanDerWaalsContact O-N 3.15Å; M255-V258 HydrophobicContact CE-CB 4.31Å; M255-V258 HydrophobicContact CE-CG1 4.23Å; M255-Y259 WeakPolarHBondContact O-CB 3.34Å; M255-Y259 PolarHBondContact O-N 3.2Å; M255-V280 HydrophobicContact SD-CG2 4.18Å; M255-V283 HydrophobicContact CG-CG2 4.08Å; M255-V283 HydrophobicContact SD-CG2 4.24Å
256F98.1Very high97.1Very high47 Ų4744.3 Ų44.321%0.20624%0.241CC..Hα-helixtrans-71.2-40.4169.2-61.1-21.7000110.7K244 L248 F251 E253 V258 Y259 D260K244-F256 HydrophobicContact CD-CB 4.08Å; K244-F256 HydrophobicContact CD-CD1 4.46Å; K244-F256 HydrophobicContact CD-CG 4.3Å; K244-F256 HydrophobicContact CG-CD1 4.33Å; L248-F256 HydrophobicContact CB-CD1 4.44Å; L248-F256 HydrophobicContact CB-CE1 3.95Å; L248-F256 HydrophobicContact CD1-CD1 4.45Å; L248-F256 WeakPolarHBondContact O-CE1 3.46Å; F251-F256 HydrophobicContact CB-CE1 4.15Å; E253-F256 WeakPolarHBondContact O-CA 3.45Å; E253-F256 WeakPolarHBondContact O-CB 3.35Å; E253-F256 PolarHBondContact O-N 3.42Å; F256-V258 VanDerWaalsContact C-N 3.3Å; F256-V258 PolarHBondContact O-N 2.63Å; F256-Y259 WeakPolarHBondContact O-CB 3.42Å; F256-Y259 PolarHBondContact O-N 2.99Å; F256-D260 VanDerWaalsContact O-CG 3.31Å; F256-D260 PolarHBondContact O-N 3.24Å
257D98.4Very high97.2Very high66 Ų6641.7 Ų41.735%0.35322%0.222SC..Hα-helixtrans-58.5-45171.9-64.6-27.4000111.1E253 E254 D260 Y261 W275 K279E253-D257 PolarHBondContact O-N 2.91Å; E253-D257 VanDerWaalsContact O-N 3.15Å; E254-D257 WeakPolarHBondContact O-CB 3.33Å; E254-D257 PolarHBondContact O-N 2.77Å; D257-D260 PolarHBondContact O-N 2.69Å; D257-Y261 WeakPolarHBondContact O-CB 3.42Å; D257-Y261 PolarHBondContact O-N 3.36Å; D257-W275 HydrophobicContact CB-CH2 3.99Å; D257-W275 HydrophobicContact CB-CZ2 4.4Å; D257-K279 HydrophobicContact CB-CD 4.49Å; D257-K279 IonicContact OD2-NZ 2.6Å; D257-K279 PolarHBondContact OD2-NZ 3Å
258V98.6Very high97.2Very high0 Ų045.6 Ų45.60%025%0.247CC..Hα-helixtrans-61.8-43.8176.91690000111.4I213 E254 M255 F256 I262 W275 I276 K279I213-V258 HydrophobicContact CD1-CG1 4.02Å; E254-V258 WeakPolarHBondContact O-CG2 3.35Å; E254-V258 PolarHBondContact O-N 3.09Å; E254-V258 VanDerWaalsContact O-N 3.09Å; M255-V258 HydrophobicContact CE-CB 4.31Å; M255-V258 HydrophobicContact CE-CG1 4.23Å; F256-V258 VanDerWaalsContact C-N 3.3Å; F256-V258 PolarHBondContact O-N 2.63Å; V258-I262 HydrophobicContact CG1-CD1 3.73Å; V258-I262 WeakPolarHBondContact O-CB 3.37Å; V258-I262 WeakPolarHBondContact O-CG1 3.31Å; V258-I262 PolarHBondContact O-N 3.39Å; V258-W275 HydrophobicContact CG2-CZ3 4.24Å; V258-I276 HydrophobicContact CG1-CG2 3.81Å; V258-I276 HydrophobicContact CG2-CG2 4.25Å; V258-K279 HydrophobicContact CG2-CB 3.47Å; V258-K279 VanDerWaalsContact CG2-CB 3.47Å; V258-K279 HydrophobicContact CG2-CG 3.96Å
259Y98.4Very high97.2Very high16 Ų1648.9 Ų48.96%0.06327%0.265CS..Hα-helixtrans-59.2-53176.4175.8-89.1000111.3I213 K244 L247 L248 M255 F256 Y261 I262 M263I213-Y259 HydrophobicContact CG2-CD2 3.77Å; I213-Y259 HydrophobicContact CG2-CE2 4.23Å; K244-Y259 HydrophobicContact CB-CD1 3.49Å; K244-Y259 VanDerWaalsContact CB-CD1 3.49Å; K244-Y259 HydrophobicContact CB-CD2 4.48Å; K244-Y259 HydrophobicContact CB-CE1 3.56Å; K244-Y259 HydrophobicContact CB-CG 3.98Å; K244-Y259 HydrophobicContact CD-CD1 3.94Å; K244-Y259 HydrophobicContact CD-CE1 4.45Å; K244-Y259 HydrophobicContact CG-CD1 4.37Å; L247-Y259 HydrophobicContact CD2-CD2 4.05Å; L247-Y259 HydrophobicContact CD2-CE2 3.46Å; L247-Y259 VanDerWaalsContact CD2-CE2 3.46Å; L248-Y259 HydrophobicContact CD1-CD2 4.14Å; L248-Y259 HydrophobicContact CD1-CG 4.34Å; M255-Y259 WeakPolarHBondContact O-CB 3.34Å; M255-Y259 PolarHBondContact O-N 3.2Å; F256-Y259 WeakPolarHBondContact O-CB 3.42Å; F256-Y259 PolarHBondContact O-N 2.99Å; Y259-Y261 VanDerWaalsContact C-N 3.3Å; Y259-Y261 PolarHBondContact O-N 2.99Å; Y259-I262 PolarHBondContact O-N 3.22Å; Y259-M263 HydrophobicContact CD1-CG 4.08Å; Y259-M263 HydrophobicContact CD2-CG 4.22Å; Y259-M263 HydrophobicContact CE1-CB 4.47Å; Y259-M263 HydrophobicContact CE1-CG 3.7Å; Y259-M263 HydrophobicContact CE2-CG 3.8Å; Y259-M263 HydrophobicContact CE2-SD 4.26Å; Y259-M263 HydrophobicContact CG-CG 4.34Å; Y259-M263 WeakPolarHBondContact O-CB 3.28Å; Y259-M263 VanDerWaalsContact O-CG 3.28Å; Y259-M263 WeakPolarHBondContact O-CG 3.44Å; Y259-M263 PolarHBondContact O-N 2.85Å
260D98.2Very high97.4Very high70 Ų7051.1 Ų51.137%0.37428%0.278SS..Hα-helixtrans-60.9-42.5-177.9-67.6-29.2000110.8K244 F256 D257 M263 S264K244-D260 WeakPolarHBondContact CD-OD1 3.47Å; K244-D260 IonicContact NZ-OD1 2.67Å; K244-D260 PolarHBondContact NZ-OD1 3Å; K244-D260 IonicContact NZ-OD2 3.49Å; K244-D260 PolarHBondContact NZ-OD2 3.29Å; F256-D260 VanDerWaalsContact O-CG 3.31Å; F256-D260 PolarHBondContact O-N 3.24Å; D257-D260 PolarHBondContact O-N 2.69Å; D260-M263 PolarHBondContact O-N 3.24Å; D260-S264 WeakPolarHBondContact O-CB 3.4Å; D260-S264 PolarHBondContact O-N 3.01Å
261Y98.7Very high97.7Very high52 Ų5244.2 Ų44.220%0.20424%0.241CC..Hα-helixtrans-58-54.4174.7173.6-111.3000111.5D257 Y259 M263 S264 L265 N272 W275 I276D257-Y261 WeakPolarHBondContact O-CB 3.42Å; D257-Y261 PolarHBondContact O-N 3.36Å; Y259-Y261 VanDerWaalsContact C-N 3.3Å; Y259-Y261 PolarHBondContact O-N 2.99Å; Y261-M263 VanDerWaalsContact C-N 3.29Å; Y261-M263 PolarHBondContact O-N 3.34Å; Y261-S264 WeakPolarHBondContact O-CB 3.33Å; Y261-S264 PolarHBondContact O-N 3.48Å; Y261-S264 VanDerWaalsContact O-N 3.1Å; Y261-S264 PolarHBondContact O-OG 2.99Å; Y261-L265 HydrophobicContact CE1-CD1 4.02Å; Y261-L265 HydrophobicContact CE2-CD2 4Å; Y261-L265 PolarHBondContact O-N 3.12Å; Y261-N272 HydrophobicContact CE1-CB 4.42Å; Y261-N272 VanDerWaalsContact OH-CB 3.29Å; Y261-N272 WeakPolarHBondContact OH-CB 3.48Å; Y261-N272 PolarHBondContact OH-N 3.45Å; Y261-W275 AromaticContact CD1-CE3 3.92Å; Y261-W275 HydrophobicContact CD1-CE3 3.92Å; Y261-W275 AromaticContact CD1-CZ3 3.73Å; Y261-W275 HydrophobicContact CD1-CZ3 3.73Å; Y261-W275 HydrophobicContact CD2-CZ3 4.49Å; Y261-W275 HydrophobicContact CE1-CE3 4.38Å; Y261-W275 HydrophobicContact CG-CE3 4.12Å; Y261-W275 HydrophobicContact CG-CH2 4.3Å; Y261-W275 AromaticContact CG-CZ3 3.65Å; Y261-W275 HydrophobicContact CG-CZ3 3.65Å; Y261-I276 HydrophobicContact CD1-CD1 4.04Å; Y261-I276 HydrophobicContact CD1-CG1 3.91Å; Y261-I276 HydrophobicContact CE1-CD1 3.86Å; Y261-I276 HydrophobicContact CE1-CG1 3.95Å
262I98.5Very high97.8Very high2 Ų247.2 Ų47.21%0.0126%0.258CS..Hα-helixtrans-59.6-41.4-178.6-73168.8000111.4M209 V210 I213 V258 Y259 S264 L265 I276M209-I262 HydrophobicContact CB-CD1 4.22Å; M209-I262 HydrophobicContact CB-CG1 4.21Å; M209-I262 HydrophobicContact CB-CG2 3.91Å; M209-I262 HydrophobicContact CE-CD1 4.32Å; V210-I262 HydrophobicContact CB-CG2 4.44Å; V210-I262 HydrophobicContact CG2-CG2 3.71Å; I213-I262 HydrophobicContact CD1-CD1 3.86Å; I213-I262 HydrophobicContact CG1-CD1 3.4Å; I213-I262 VanDerWaalsContact CG1-CD1 3.4Å; I213-I262 HydrophobicContact CG1-CG2 4.43Å; V258-I262 HydrophobicContact CG1-CD1 3.73Å; V258-I262 WeakPolarHBondContact O-CB 3.37Å; V258-I262 WeakPolarHBondContact O-CG1 3.31Å; V258-I262 PolarHBondContact O-N 3.39Å; Y259-I262 PolarHBondContact O-N 3.22Å; I262-S264 VanDerWaalsContact C-N 3.27Å; I262-S264 PolarHBondContact O-N 3.14Å; I262-L265 PolarHBondContact O-N 3.44Å; I262-I276 HydrophobicContact CD1-CD1 4.19Å; I262-I276 HydrophobicContact CG1-CD1 4.1Å
263M97.4Very high97.9Very high62 Ų6247.2 Ų47.231%0.30526%0.256SS..Hα-helixtrans-72.7-18.3-179.6-66-59-6600113.5V210 Y259 D260 Y261V210-M263 HydrophobicContact CG1-SD 4.3Å; V210-M263 HydrophobicContact CG2-SD 3.94Å; Y259-M263 HydrophobicContact CD1-CG 4.08Å; Y259-M263 HydrophobicContact CD2-CG 4.22Å; Y259-M263 HydrophobicContact CE1-CB 4.47Å; Y259-M263 HydrophobicContact CE1-CG 3.7Å; Y259-M263 HydrophobicContact CE2-CG 3.8Å; Y259-M263 HydrophobicContact CE2-SD 4.26Å; Y259-M263 HydrophobicContact CG-CG 4.34Å; Y259-M263 WeakPolarHBondContact O-CB 3.28Å; Y259-M263 VanDerWaalsContact O-CG 3.28Å; Y259-M263 WeakPolarHBondContact O-CG 3.44Å; Y259-M263 PolarHBondContact O-N 2.85Å; D260-M263 PolarHBondContact O-N 3.24Å; Y261-M263 VanDerWaalsContact C-N 3.29Å; Y261-M263 PolarHBondContact O-N 3.34Å
264S97.7Very high98Very high77 Ų7746.7 Ų46.754%0.53825%0.254SS..Hα-helixtrans-79.5-18.9174.775.90000113.8D260 Y261 I262D260-S264 WeakPolarHBondContact O-CB 3.4Å; D260-S264 PolarHBondContact O-N 3.01Å; Y261-S264 WeakPolarHBondContact O-CB 3.33Å; Y261-S264 PolarHBondContact O-N 3.48Å; Y261-S264 VanDerWaalsContact O-N 3.1Å; Y261-S264 PolarHBondContact O-OG 2.99Å; I262-S264 VanDerWaalsContact C-N 3.27Å; I262-S264 PolarHBondContact O-N 3.14Å
265L98.3Very high98Very high19 Ų1950.1 Ų50.110%0.09927%0.265CS..  trans-74.1142.7-175.4-63.7172.3000112.2C206 Y261 I262 D269 V271C206-L265 HydrophobicContact CB-CB 3.62Å; C206-L265 HydrophobicContact CB-CD1 4.38Å; Y261-L265 HydrophobicContact CE1-CD1 4.02Å; Y261-L265 HydrophobicContact CE2-CD2 4Å; Y261-L265 PolarHBondContact O-N 3.12Å; I262-L265 PolarHBondContact O-N 3.44Å; L265-D269 HydrophobicContact CD2-CB 3.77Å; L265-V271 HydrophobicContact CD1-CG2 3.99Å
266C96.9Very high98Very high71 Ų7150.1 Ų50.148%0.4827%0.265SS..  trans-116.2171.9173.4-66.20000111.1D269C266-D269 WeakPolarHBondContact CB-OD2 3.27Å; C266-D269 PolarHBondContact N-OD2 2.95Å; C266-D269 WeakPolarHBondContact O-CB 3.29Å; C266-D269 PolarHBondContact O-N 2.64Å
267Y96.8Very high98Very high31 Ų3149.3 Ų49.312%0.12226%0.263CS..THydrogen-bonded Turntrans-46.6-44.6179.3-179.7-103.6000116L177 K178 P180 E202 L203 D269L177-Y267 HydrophobicContact CD1-CE1 3.97Å; L177-Y267 HydrophobicContact CD2-CD1 4.01Å; L177-Y267 HydrophobicContact CD2-CE1 3.7Å; L177-Y267 HydrophobicContact CG-CE1 3.85Å; K178-Y267 WeakPolarHBondContact O-CE1 3.44Å; K178-Y267 PolarHBondContact O-OH 3.11Å; P180-Y267 HydrophobicContact CB-CD1 4.08Å; P180-Y267 HydrophobicContact CB-CE1 4.01Å; P180-Y267 HydrophobicContact CG-CD1 4.34Å; P180-Y267 HydrophobicContact CG-CE1 4.37Å; E202-Y267 HydrophobicContact CB-CE2 4.4Å; E202-Y267 HydrophobicContact CG-CD2 4.27Å; E202-Y267 HydrophobicContact CG-CE2 3.64Å; L203-Y267 VanDerWaalsContact O-CE2 3.3Å; L203-Y267 WeakPolarHBondContact O-CE2 3.48Å; Y267-D269 VanDerWaalsContact C-N 3.29Å; Y267-D269 PolarHBondContact O-N 3.09Å
268P96.6Very high98.1Very high84 Ų8447.5 Ų47.555%0.54526%0.26SS..THydrogen-bonded Turntrans-77.5-13.2-177.832.4-36.1000114.2L177L177-P268 HydrophobicContact CD2-CB 4.06Å
269D97.2Very high98.1Very high68 Ų6849.6 Ų49.636%0.36427%0.269SS..PPolyproline II helixtrans-74.5148.8-172.8-60.7-39.1000111.6L265 C266 Y267L265-D269 HydrophobicContact CD2-CB 3.77Å; C266-D269 WeakPolarHBondContact CB-OD2 3.27Å; C266-D269 PolarHBondContact N-OD2 2.95Å; C266-D269 WeakPolarHBondContact O-CB 3.29Å; C266-D269 PolarHBondContact O-N 2.64Å; Y267-D269 VanDerWaalsContact C-N 3.29Å; Y267-D269 PolarHBondContact O-N 3.09Å
270T96.4Very high98.1Very high94 Ų9448.8 Ų48.858%0.57727%0.266SS*.PPolyproline II helixtrans-96.3126.1171.8-61.10000108.8R171R171-T270 PolarHBondContact NH2-OG1 3.38Å
271V98.6Very high98.1Very high6 Ų649 Ų494%0.03627%0.267CS..PPolyproline II helixtrans-68.4131176-1770000109.5P205 M209 L265 Y273 I276P205-V271 HydrophobicContact CB-CG2 3.77Å; M209-V271 HydrophobicContact CG-CG1 4.01Å; M209-V271 HydrophobicContact CG-CG2 4.06Å; L265-V271 HydrophobicContact CD1-CG2 3.99Å; V271-Y273 HydrophobicContact CB-CD1 4.43Å; V271-Y273 HydrophobicContact CB-CD2 4.42Å; V271-Y273 HydrophobicContact CB-CE1 3.88Å; V271-Y273 HydrophobicContact CB-CE2 3.88Å; V271-Y273 HydrophobicContact CG1-CD1 3.8Å; V271-Y273 HydrophobicContact CG1-CD2 4.42Å; V271-Y273 HydrophobicContact CG1-CE1 3.6Å; V271-Y273 HydrophobicContact CG1-CE2 4.26Å; V271-Y273 HydrophobicContact CG1-CG 4.19Å; V271-Y273 HydrophobicContact CG2-CE1 4.5Å; V271-Y273 WeakPolarHBondContact O-CD2 3.35Å; V271-Y273 WeakPolarHBondContact O-CE2 3.42Å; V271-Y273 PolarHBondContact O-N 2.94Å; V271-I276 HydrophobicContact CG1-CD1 3.81Å
272N98.7Very high98.1Very high73 Ų7350.9 Ų50.939%0.3928%0.28SS..  trans-90.981.2172.8-172-18.4000109.2Y261 E274 W275 I276Y261-N272 HydrophobicContact CE1-CB 4.42Å; Y261-N272 VanDerWaalsContact OH-CB 3.29Å; Y261-N272 WeakPolarHBondContact OH-CB 3.48Å; Y261-N272 PolarHBondContact OH-N 3.45Å; N272-E274 VanDerWaalsContact C-N 3.27Å; N272-E274 PolarHBondContact O-N 3.09Å; N272-W275 HydrophobicContact CB-CB 4.14Å; N272-W275 PolarHBondContact O-N 3.09Å; N272-W275 VanDerWaalsContact OD1-CB 3.31Å; N272-W275 WeakPolarHBondContact OD1-CB 3.27Å; N272-W275 PolarHBondContact OD1-N 2.77Å; N272-I276 WeakPolarHBondContact O-CG1 3.28Å; N272-I276 PolarHBondContact O-N 2.89Å
273Y98.8Very high98Very high13 Ų1350.8 Ų50.85%0.05128%0.28CS..Hα-helixtrans-61.8-38.7-177.3-54.6-84.7000111.5I127 K131 H134 M209 V271 W275 I276 M277I127-Y273 HydrophobicContact CG2-CD1 4.1Å; K131-Y273 HydrophobicContact CB-CD1 3.84Å; K131-Y273 HydrophobicContact CB-CD2 4.28Å; K131-Y273 HydrophobicContact CB-CE1 4.11Å; K131-Y273 HydrophobicContact CB-CG 3.94Å; K131-Y273 HydrophobicContact CD-CD2 3.96Å; K131-Y273 HydrophobicContact CD-CG 3.92Å; K131-Y273 HydrophobicContact CG-CD1 4.15Å; K131-Y273 HydrophobicContact CG-CD2 3.66Å; K131-Y273 HydrophobicContact CG-CE1 4.46Å; K131-Y273 HydrophobicContact CG-CE2 3.99Å; K131-Y273 HydrophobicContact CG-CG 3.76Å; H134-Y273 WeakPolarHBondContact CB-OH 3.39Å; H134-Y273 AromaticContact ND1-CE1 3.89Å; H134-Y273 AromaticContact ND1-CZ 3.61Å; H134-Y273 PolarHBondContact ND1-OH 3.42Å; M209-Y273 HydrophobicContact SD-CD1 4.43Å; M209-Y273 HydrophobicContact SD-CE1 3.99Å; V271-Y273 HydrophobicContact CB-CD1 4.43Å; V271-Y273 HydrophobicContact CB-CD2 4.42Å; V271-Y273 HydrophobicContact CB-CE1 3.88Å; V271-Y273 HydrophobicContact CB-CE2 3.88Å; V271-Y273 HydrophobicContact CG1-CD1 3.8Å; V271-Y273 HydrophobicContact CG1-CD2 4.42Å; V271-Y273 HydrophobicContact CG1-CE1 3.6Å; V271-Y273 HydrophobicContact CG1-CE2 4.26Å; V271-Y273 HydrophobicContact CG1-CG 4.19Å; V271-Y273 HydrophobicContact CG2-CE1 4.5Å; V271-Y273 WeakPolarHBondContact O-CD2 3.35Å; V271-Y273 WeakPolarHBondContact O-CE2 3.42Å; V271-Y273 PolarHBondContact O-N 2.94Å; Y273-W275 VanDerWaalsContact C-N 3.31Å; Y273-W275 PolarHBondContact O-N 3.33Å; Y273-I276 PolarHBondContact O-N 3.21Å; Y273-M277 WeakPolarHBondContact O-CB 3.36Å; Y273-M277 VanDerWaalsContact O-CG 3.27Å; Y273-M277 WeakPolarHBondContact O-CG 3.37Å; Y273-M277 PolarHBondContact O-N 2.95Å
274E98.7Very high98Very high107 Ų10748.3 Ų48.350%0.527%0.268SS..Hα-helixtrans-61-41.6-178.7-67.570.2-158.400111K131 N272 G278K131-E274 WeakPolarHBondContact CE-OE1 3.2Å; N272-E274 VanDerWaalsContact C-N 3.27Å; N272-E274 PolarHBondContact O-N 3.09Å; E274-G278 PolarHBondContact O-N 3.43Å
275W98.8Very high98Very high94 Ų9449.2 Ų49.236%0.35627%0.274SS..Hα-helixtrans-66.3-43.7174.6-178.890.3000112.4D257 V258 Y261 N272 Y273 G278 K279D257-W275 HydrophobicContact CB-CH2 3.99Å; D257-W275 HydrophobicContact CB-CZ2 4.4Å; V258-W275 HydrophobicContact CG2-CZ3 4.24Å; Y261-W275 AromaticContact CD1-CE3 3.92Å; Y261-W275 HydrophobicContact CD1-CE3 3.92Å; Y261-W275 AromaticContact CD1-CZ3 3.73Å; Y261-W275 HydrophobicContact CD1-CZ3 3.73Å; Y261-W275 HydrophobicContact CD2-CZ3 4.49Å; Y261-W275 HydrophobicContact CE1-CE3 4.38Å; Y261-W275 HydrophobicContact CG-CE3 4.12Å; Y261-W275 HydrophobicContact CG-CH2 4.3Å; Y261-W275 AromaticContact CG-CZ3 3.65Å; Y261-W275 HydrophobicContact CG-CZ3 3.65Å; N272-W275 HydrophobicContact CB-CB 4.14Å; N272-W275 PolarHBondContact O-N 3.09Å; N272-W275 VanDerWaalsContact OD1-CB 3.31Å; N272-W275 WeakPolarHBondContact OD1-CB 3.27Å; N272-W275 PolarHBondContact OD1-N 2.77Å; Y273-W275 VanDerWaalsContact C-N 3.31Å; Y273-W275 PolarHBondContact O-N 3.33Å; W275-G278 PolarHBondContact O-N 3.28Å; W275-K279 HydrophobicContact CD2-CG 4.3Å; W275-K279 HydrophobicContact CE3-CG 4.39Å; W275-K279 HydrophobicContact CH2-CG 4.15Å; W275-K279 HydrophobicContact CZ2-CD 4.33Å; W275-K279 VanDerWaalsContact CZ2-CE 3.44Å; W275-K279 HydrophobicContact CZ2-CG 4.05Å; W275-K279 HydrophobicContact CZ3-CG 4.31Å; W275-K279 PolarHBondContact O-N 2.79Å
276I98.8Very high97.9Very high0 Ų055.1 Ų55.10%030%0.295CS..Hα-helixtrans-60.5-50176.7-62.4170.3000110I127 M209 V258 Y261 I262 V271 N272 Y273 G278 K279 V280I127-I276 HydrophobicContact CD1-CG2 3.64Å; I127-I276 HydrophobicContact CG1-CG2 4.48Å; M209-I276 HydrophobicContact CE-CD1 3.84Å; V258-I276 HydrophobicContact CG1-CG2 3.81Å; V258-I276 HydrophobicContact CG2-CG2 4.25Å; Y261-I276 HydrophobicContact CD1-CD1 4.04Å; Y261-I276 HydrophobicContact CD1-CG1 3.91Å; Y261-I276 HydrophobicContact CE1-CD1 3.86Å; Y261-I276 HydrophobicContact CE1-CG1 3.95Å; I262-I276 HydrophobicContact CD1-CD1 4.19Å; I262-I276 HydrophobicContact CG1-CD1 4.1Å; V271-I276 HydrophobicContact CG1-CD1 3.81Å; N272-I276 WeakPolarHBondContact O-CG1 3.28Å; N272-I276 PolarHBondContact O-N 2.89Å; Y273-I276 PolarHBondContact O-N 3.21Å; I276-G278 VanDerWaalsContact C-N 3.29Å; I276-G278 PolarHBondContact O-N 3.34Å; I276-K279 WeakPolarHBondContact O-CB 3.49Å; I276-K279 PolarHBondContact O-N 3.11Å; I276-K279 VanDerWaalsContact O-N 3.14Å; I276-V280 WeakPolarHBondContact O-CG2 3.3Å; I276-V280 PolarHBondContact O-N 3.1Å
277M98.7Very high97.9Very high30 Ų3055 Ų5515%0.14829%0.289CS..Hα-helixtrans-61.7-38.4178.8-68.6-172.5-64.800111.3L124 I127 E128 Y273 K279 V280 N281L124-M277 HydrophobicContact CD1-CB 3.72Å; L124-M277 HydrophobicContact CD1-CG 3.71Å; L124-M277 HydrophobicContact CD1-SD 4.34Å; I127-M277 HydrophobicContact CB-CG 4.24Å; I127-M277 HydrophobicContact CD1-CG 4.38Å; I127-M277 HydrophobicContact CG2-CG 3.67Å; I127-M277 HydrophobicContact CG2-SD 4.08Å; E128-M277 HydrophobicContact CG-SD 3.92Å; Y273-M277 WeakPolarHBondContact O-CB 3.36Å; Y273-M277 VanDerWaalsContact O-CG 3.27Å; Y273-M277 WeakPolarHBondContact O-CG 3.37Å; Y273-M277 PolarHBondContact O-N 2.95Å; M277-K279 PolarHBondContact O-N 3.29Å; M277-V280 PolarHBondContact O-N 2.72Å; M277-N281 WeakPolarHBondContact O-CB 3.35Å; M277-N281 PolarHBondContact O-N 2.81Å; M277-N281 PolarHBondContact O-ND2 2.87Å
278G98.7Very high97.8Very high28 Ų2859.1 Ų59.129%0.28931%0.313SS..Hα-helixtrans-58.6-44172.700000112.8E274 W275 I276 N281 N282E274-G278 PolarHBondContact O-N 3.43Å; W275-G278 PolarHBondContact O-N 3.28Å; I276-G278 VanDerWaalsContact C-N 3.29Å; I276-G278 PolarHBondContact O-N 3.34Å; G278-N281 PolarHBondContact O-N 3.32Å; G278-N282 VanDerWaalsContact O-CG 3.27Å; G278-N282 PolarHBondContact O-N 2.89Å; G278-N282 PolarHBondContact O-OD1 3.4Å
279K98.7Very high97.7Very high44 Ų4456 Ų5619%0.19129%0.292CS..Hα-helixtrans-62.6-42.6174.3-72.2-74.6-176.9170.60112.1E254 D257 V258 W275 I276 M277 N282 V283E254-K279 HydrophobicContact CB-CB 4.43Å; E254-K279 HydrophobicContact CB-CD 4.07Å; E254-K279 HydrophobicContact CG-CD 4.45Å; D257-K279 HydrophobicContact CB-CD 4.49Å; D257-K279 IonicContact OD2-NZ 2.6Å; D257-K279 PolarHBondContact OD2-NZ 3Å; V258-K279 HydrophobicContact CG2-CB 3.47Å; V258-K279 VanDerWaalsContact CG2-CB 3.47Å; V258-K279 HydrophobicContact CG2-CG 3.96Å; W275-K279 HydrophobicContact CD2-CG 4.3Å; W275-K279 HydrophobicContact CE3-CG 4.39Å; W275-K279 HydrophobicContact CH2-CG 4.15Å; W275-K279 HydrophobicContact CZ2-CD 4.33Å; W275-K279 VanDerWaalsContact CZ2-CE 3.44Å; W275-K279 HydrophobicContact CZ2-CG 4.05Å; W275-K279 HydrophobicContact CZ3-CG 4.31Å; W275-K279 PolarHBondContact O-N 2.79Å; I276-K279 WeakPolarHBondContact O-CB 3.49Å; I276-K279 PolarHBondContact O-N 3.11Å; I276-K279 VanDerWaalsContact O-N 3.14Å; M277-K279 PolarHBondContact O-N 3.29Å; K279-N282 WeakPolarHBondContact O-CB 3.47Å; K279-N282 PolarHBondContact O-N 3.14Å; K279-V283 PolarHBondContact O-N 2.98Å; K279-V283 VanDerWaalsContact O-N 3.14Å
280V98.4Very high97.4Very high0 Ų057 Ų570%030%0.297CS..Hα-helixtrans-64.1-41.3176.2179.10000111.2F120 F123 L124 I127 M255 I276 M277 N282 V283 L284F120-V280 HydrophobicContact CB-CG1 4.4Å; F123-V280 HydrophobicContact CD1-CG1 4.41Å; F123-V280 HydrophobicContact CD1-CG2 3.66Å; F123-V280 HydrophobicContact CE1-CG2 3.65Å; L124-V280 HydrophobicContact CB-CG1 4.24Å; L124-V280 HydrophobicContact CD1-CB 4.25Å; L124-V280 HydrophobicContact CD1-CG1 4.21Å; I127-V280 HydrophobicContact CD1-CG2 4.15Å; M255-V280 HydrophobicContact SD-CG2 4.18Å; I276-V280 WeakPolarHBondContact O-CG2 3.3Å; I276-V280 PolarHBondContact O-N 3.1Å; M277-V280 PolarHBondContact O-N 2.72Å; V280-N282 VanDerWaalsContact C-N 3.32Å; V280-N282 PolarHBondContact O-N 3.37Å; V280-V283 WeakPolarHBondContact O-CB 3.47Å; V280-V283 PolarHBondContact O-N 3.06Å; V280-V283 VanDerWaalsContact O-N 3.12Å; V280-L284 WeakPolarHBondContact O-CG 3.43Å; V280-L284 PolarHBondContact O-N 3.15Å
281N98.3Very high96.9Very high75 Ų7558.2 Ų58.240%0.40130%0.3SS..Hα-helixtrans-63.8-36.6175.9-74.2-33.1000112.5M277 G278 V283 L284 S285M277-N281 WeakPolarHBondContact O-CB 3.35Å; M277-N281 PolarHBondContact O-N 2.81Å; M277-N281 PolarHBondContact O-ND2 2.87Å; G278-N281 PolarHBondContact O-N 3.32Å; N281-V283 VanDerWaalsContact C-N 3.3Å; N281-V283 PolarHBondContact O-N 3.22Å; N281-L284 PolarHBondContact O-N 2.99Å; N281-S285 PolarHBondContact O-N 3.32Å
282N98.3Very high96.4Very high90 Ų9065 Ų6548%0.48134%0.337SS..Hα-helixtrans-62-39.5172.6-67.7-10.8000111.5E254 G278 K279 V280 S285 R286E254-N282 HydrophobicContact CG-CB 4.4Å; G278-N282 VanDerWaalsContact O-CG 3.27Å; G278-N282 PolarHBondContact O-N 2.89Å; G278-N282 PolarHBondContact O-OD1 3.4Å; K279-N282 WeakPolarHBondContact O-CB 3.47Å; K279-N282 PolarHBondContact O-N 3.14Å; V280-N282 VanDerWaalsContact C-N 3.32Å; V280-N282 PolarHBondContact O-N 3.37Å; N282-S285 PolarHBondContact O-N 2.8Å; N282-R286 VanDerWaalsContact O-CB 3.3Å; N282-R286 WeakPolarHBondContact O-CB 3.37Å; N282-R286 PolarHBondContact O-N 3.25Å
283V97.9Very high96.1Very high0 Ų064.8 Ų64.80%033%0.333CS..Hα-helixtrans-61.5-47.2173.4170.60000111.5F120 P252 E254 M255 K279 V280 N281 S285 R286 L287F120-V283 HydrophobicContact CD1-CG1 4.37Å; F120-V283 HydrophobicContact CD2-CG1 3.64Å; F120-V283 HydrophobicContact CE1-CG1 4.31Å; F120-V283 HydrophobicContact CE2-CG1 3.55Å; F120-V283 HydrophobicContact CG-CG1 4.07Å; F120-V283 HydrophobicContact CZ-CG1 3.92Å; P252-V283 HydrophobicContact CB-CG1 4.36Å; P252-V283 HydrophobicContact CB-CG2 3.92Å; P252-V283 HydrophobicContact CG-CG1 3.79Å; P252-V283 HydrophobicContact CG-CG2 4.25Å; E254-V283 HydrophobicContact CB-CG2 3.71Å; E254-V283 HydrophobicContact CG-CG2 4.22Å; M255-V283 HydrophobicContact CG-CG2 4.08Å; M255-V283 HydrophobicContact SD-CG2 4.24Å; K279-V283 PolarHBondContact O-N 2.98Å; K279-V283 VanDerWaalsContact O-N 3.14Å; V280-V283 WeakPolarHBondContact O-CB 3.47Å; V280-V283 PolarHBondContact O-N 3.06Å; V280-V283 VanDerWaalsContact O-N 3.12Å; N281-V283 VanDerWaalsContact C-N 3.3Å; N281-V283 PolarHBondContact O-N 3.22Å; V283-S285 VanDerWaalsContact C-N 3.32Å; V283-S285 PolarHBondContact O-N 2.71Å; V283-R286 PolarHBondContact O-N 3.04Å; V283-L287 HydrophobicContact CG1-CD1 3.79Å; V283-L287 HydrophobicContact CG1-CG 4.33Å; V283-L287 WeakPolarHBondContact O-CB 3.13Å; V283-L287 WeakPolarHBondContact O-CG 3.38Å; V283-L287 PolarHBondContact O-N 2.77Å
284L97.5Very high95.8Very high10 Ų1067 Ų675%0.05235%0.349CS..Hα-helixtrans-58.2-46.1178.2-66.2173.9000111.1F120 P121 L124 V280 N281 L287 N288 I289F120-L284 HydrophobicContact CB-CD2 3.64Å; F120-L284 HydrophobicContact CB-CG 4.43Å; P121-L284 HydrophobicContact CG-CD2 3.86Å; L124-L284 HydrophobicContact CD2-CD1 4.46Å; V280-L284 WeakPolarHBondContact O-CG 3.43Å; V280-L284 PolarHBondContact O-N 3.15Å; N281-L284 PolarHBondContact O-N 2.99Å; L284-L287 PolarHBondContact O-N 3.41Å; L284-N288 PolarHBondContact O-N 2.67Å; L284-I289 HydrophobicContact CD2-CB 3.89Å; L284-I289 HydrophobicContact CD2-CD1 4.18Å; L284-I289 HydrophobicContact CD2-CG2 3.74Å; L284-I289 PolarHBondContact O-N 3.41Å
285S97.2Very high95.6Very high97 Ų9762.3 Ų62.368%0.67833%0.327SS*.Hα-helixtrans-62.6-46.9176.8-178.80000112.4N281 N282 V283 L287 N288N281-S285 PolarHBondContact O-N 3.32Å; N282-S285 PolarHBondContact O-N 2.8Å; V283-S285 VanDerWaalsContact C-N 3.32Å; V283-S285 PolarHBondContact O-N 2.71Å; S285-L287 VanDerWaalsContact C-N 3.29Å; S285-L287 PolarHBondContact O-N 2.82Å; S285-N288 PolarHBondContact O-N 2.78Å; S285-N288 VanDerWaalsContact O-N 3.07Å
286R96.6Very high95.4Very high142 Ų14259.2 Ų59.254%0.53632%0.317SS..Hα-helixtrans-58.8-40.2178.2175.9-179.4178.7153.24.7112.5E253 E254 N282 V283 N288E253-R286 IonicContact OE1-CZ 3.85Å; E253-R286 IonicContact OE1-NH1 2.79Å; E253-R286 PolarHBondContact OE1-NH1 3.15Å; E254-R286 IonicContact OE1-NH1 3.35Å; E254-R286 PolarHBondContact OE1-NH1 3.23Å; E254-R286 IonicContact OE2-NH1 2.77Å; E254-R286 PolarHBondContact OE2-NH1 2.81Å; N282-R286 VanDerWaalsContact O-CB 3.3Å; N282-R286 WeakPolarHBondContact O-CB 3.37Å; N282-R286 PolarHBondContact O-N 3.25Å; V283-R286 PolarHBondContact O-N 3.04Å; R286-N288 VanDerWaalsContact C-N 3.3Å
287L95.5Very high95Very high68 Ų6860 Ų6036%0.35632%0.32SS..THydrogen-bonded Turntrans-87.41-179.9-62.3-178.9000113.1Y116 F120 P252 V283 L284 S285 I289Y116-L287 HydrophobicContact CD2-CD1 4.13Å; F120-L287 HydrophobicContact CD2-CD1 4.26Å; F120-L287 HydrophobicContact CE2-CD1 3.97Å; P252-L287 HydrophobicContact CG-CD1 4.26Å; V283-L287 HydrophobicContact CG1-CD1 3.79Å; V283-L287 HydrophobicContact CG1-CG 4.33Å; V283-L287 WeakPolarHBondContact O-CB 3.13Å; V283-L287 WeakPolarHBondContact O-CG 3.38Å; V283-L287 PolarHBondContact O-N 2.77Å; L284-L287 PolarHBondContact O-N 3.41Å; S285-L287 VanDerWaalsContact C-N 3.29Å; S285-L287 PolarHBondContact O-N 2.82Å; L287-I289 HydrophobicContact CB-CD1 3.62Å; L287-I289 HydrophobicContact CB-CG1 3.84Å; L287-I289 HydrophobicContact CD1-CD1 3.82Å; L287-I289 HydrophobicContact CG-CD1 4.38Å; L287-I289 PolarHBondContact O-N 3.08Å
288N95.8Very high94.7Very high118 Ų11860.4 Ų60.463%0.63132%0.322SS*.THydrogen-bonded Turntrans53.437.9-176.1-166.754.2000113.1L284 S285 R286L284-N288 PolarHBondContact O-N 2.67Å; S285-N288 PolarHBondContact O-N 2.78Å; S285-N288 VanDerWaalsContact O-N 3.07Å; R286-N288 VanDerWaalsContact C-N 3.3Å
289I94.9Very high94Very high18 Ų1862.3 Ų62.39%0.09232%0.322CS..  trans-88.1121.6177.5-63.6163.7000108.1F120 P121 L284 L287F120-I289 HydrophobicContact CD2-CD1 4.48Å; P121-I289 HydrophobicContact CG-CG2 4.14Å; L284-I289 HydrophobicContact CD2-CB 3.89Å; L284-I289 HydrophobicContact CD2-CD1 4.18Å; L284-I289 HydrophobicContact CD2-CG2 3.74Å; L284-I289 PolarHBondContact O-N 3.41Å; L287-I289 HydrophobicContact CB-CD1 3.62Å; L287-I289 HydrophobicContact CB-CG1 3.84Å; L287-I289 HydrophobicContact CD1-CD1 3.82Å; L287-I289 HydrophobicContact CG-CD1 4.38Å; L287-I289 PolarHBondContact O-N 3.08Å
290N91.1Very high92.4Very high89 Ų8966 Ų6648%0.47635%0.351SS..  trans-103.3151.9-179.6-61.5-64000112D292 E293N290-D292 PolarHBondContact O-N 2.67Å; N290-D292 VanDerWaalsContact O-N 3.11Å; N290-E293 PolarHBondContact O-N 3.42Å; N290-E293 VanDerWaalsContact O-N 3.09Å
291D84.5Confident90.5Very high120 Ų12069.2 Ų69.264%0.64237%0.373SS*.THydrogen-bonded Turntrans-61.6-20-180-75.1-14.5000114.1R157R157-D291 PolarHBondContact NH2-O 2.82Å
292D87.6Confident88Confident150 Ų15075.5 Ų75.580%0.80240%0.4SS*.THydrogen-bonded Turntrans-89.7-8.5-179.3-60.4-35.6000113.2N290N290-D292 PolarHBondContact O-N 2.67Å; N290-D292 VanDerWaalsContact O-N 3.11Å
293E92.4Very high85.3Confident68 Ų6876.9 Ų76.932%0.31841%0.412SS..SBendtrans-61138.6178.4-79.3-166.4-174.900110.8S117 R157 N290 Y295S117-E293 WeakPolarHBondContact CB-OE2 3.48Å; S117-E293 PolarHBondContact OG-OE2 3.45Å; R157-E293 PolarHBondContact NH1-O 3.15Å; R157-E293 PolarHBondContact NH2-O 3.35Å; N290-E293 PolarHBondContact O-N 3.42Å; N290-E293 VanDerWaalsContact O-N 3.09Å; E293-Y295 PolarHBondContact O-N 3.14Å
294P93.2Very high82.8Confident58 Ų5880 Ų8038%0.37743%0.428SS..PPolyproline II helixtrans-66134176.826.5-33000110.4E298 K299P294-E298 HydrophobicContact CB-CB 3.92Å; P294-K299 HydrophobicContact CB-CG 4.11Å; P294-K299 HydrophobicContact CG-CG 3.93Å; P294-K299 VanDerWaalsContact O-CE 3.27Å; P294-K299 WeakPolarHBondContact O-CE 3.48Å
295Y94.8Very high80.7Confident9 Ų982.2 Ų82.24%0.03544%0.444CS..PPolyproline II helixtrans-60.5159.8167.6-70.1-58.6000110.6T118 P121 L122 Q125 R157 E293 W297 E298 K299T118-Y295 HydrophobicContact CG2-CD1 3.8Å; T118-Y295 WeakPolarHBondContact OG1-CA 3.47Å; P121-Y295 HydrophobicContact CB-CE1 4.13Å; L122-Y295 HydrophobicContact CD2-CE1 4.06Å; L122-Y295 HydrophobicContact CG-CE1 4.03Å; Q125-Y295 PolarHBondContact NE2-OH 3.36Å; R157-Y295 HydrophobicContact CB-CE2 4.12Å; R157-Y295 HydrophobicContact CG-CD2 4.28Å; R157-Y295 HydrophobicContact CG-CE2 4.01Å; E293-Y295 PolarHBondContact O-N 3.14Å; Y295-W297 VanDerWaalsContact CB-CE2 3.48Å; Y295-W297 HydrophobicContact CD1-CH2 4.25Å; Y295-W297 HydrophobicContact CD1-CZ2 4.25Å; Y295-W297 HydrophobicContact CD2-CH2 4.39Å; Y295-W297 AromaticContact CD2-CZ2 3.62Å; Y295-W297 HydrophobicContact CD2-CZ2 3.62Å; Y295-W297 HydrophobicContact CE2-CZ2 4.34Å; Y295-W297 AromaticContact CG-CE2 3.96Å; Y295-W297 AromaticContact CG-CH2 3.99Å; Y295-W297 HydrophobicContact CG-CH2 3.99Å; Y295-W297 AromaticContact CG-CZ2 3.57Å; Y295-W297 HydrophobicContact CG-CZ2 3.57Å; Y295-W297 PolarHBondContact O-N 3.29Å; Y295-E298 PolarHBondContact N-OE2 3.41Å; Y295-E298 WeakPolarHBondContact O-CA 3.43Å; Y295-E298 WeakPolarHBondContact O-CB 3.44Å; Y295-E298 PolarHBondContact O-N 3.42Å; Y295-K299 PolarHBondContact O-N 2.95Å; Y295-K299 VanDerWaalsContact O-N 3.15Å
296D94Very high78.7Confident29 Ų2984.5 Ų84.516%0.15545%0.448CS..THydrogen-bonded Turntrans-57.2-29.8-175.8-69.8-28.4000114F114 T115 T118 K299F114-D296 WeakPolarHBondContact CA-OD2 3.46Å; F114-D296 HydrophobicContact CD1-CB 4.34Å; T115-D296 VanDerWaalsContact CG2-OD1 3.27Å; T115-D296 WeakPolarHBondContact CG2-OD1 3.09Å; T115-D296 PolarHBondContact N-OD2 3.43Å; T115-D296 VanDerWaalsContact OG1-CG 3.27Å; T115-D296 PolarHBondContact OG1-OD1 2.82Å; T115-D296 PolarHBondContact OG1-OD2 3.49Å; T115-D296 VanDerWaalsContact OG1-OD2 3.1Å; T118-D296 WeakPolarHBondContact CB-OD2 3.49Å; T118-D296 PolarHBondContact OG1-N 2.83Å; T118-D296 PolarHBondContact OG1-OD1 3.21Å; T118-D296 PolarHBondContact OG1-OD2 2.99Å; D296-K299 IonicContact OD1-NZ 3.89Å; D296-K299 PolarHBondContact OD1-NZ 3.04Å
297W91.6Very high76.9Confident17 Ų1779.6 Ų79.66%0.06444%0.436CS..THydrogen-bonded Turntrans-85.2-7.7175.358.579.3000114.4L102 L105 F114 T118 L122 I150 Y295 I308L102-W297 HydrophobicContact CD2-CH2 4.42Å; L105-W297 HydrophobicContact CB-CD2 4.46Å; L105-W297 HydrophobicContact CB-CE3 3.93Å; L105-W297 HydrophobicContact CB-CZ3 4.15Å; L105-W297 HydrophobicContact CD1-CD2 3.91Å; L105-W297 HydrophobicContact CD1-CE3 3.93Å; L105-W297 HydrophobicContact CD1-CH2 3.8Å; L105-W297 HydrophobicContact CD1-CZ2 3.83Å; L105-W297 HydrophobicContact CD1-CZ3 3.88Å; L105-W297 HydrophobicContact CD2-CB 4.06Å; L105-W297 HydrophobicContact CD2-CD2 3.9Å; L105-W297 HydrophobicContact CD2-CE3 4.22Å; L105-W297 HydrophobicContact CD2-CG 3.82Å; L105-W297 HydrophobicContact CG-CD2 4.3Å; L105-W297 HydrophobicContact CG-CE3 4.25Å; F114-W297 HydrophobicContact CD1-CE3 4.47Å; F114-W297 HydrophobicContact CD1-CZ3 4.27Å; F114-W297 AromaticContact CE1-CE3 3.78Å; F114-W297 HydrophobicContact CE1-CE3 3.78Å; F114-W297 AromaticContact CE1-CZ3 3.66Å; F114-W297 HydrophobicContact CE1-CZ3 3.66Å; F114-W297 HydrophobicContact CE2-CZ3 4.21Å; F114-W297 HydrophobicContact CZ-CE3 4.12Å; F114-W297 AromaticContact CZ-CZ3 3.64Å; F114-W297 HydrophobicContact CZ-CZ3 3.64Å; T118-W297 HydrophobicContact CG2-CE3 4.35Å; T118-W297 HydrophobicContact CG2-CH2 4.08Å; T118-W297 HydrophobicContact CG2-CZ3 3.62Å; L122-W297 HydrophobicContact CD1-CH2 3.63Å; L122-W297 HydrophobicContact CD1-CZ3 3.96Å; L122-W297 HydrophobicContact CD2-CH2 3.89Å; L122-W297 HydrophobicContact CD2-CZ2 4.48Å; L122-W297 HydrophobicContact CG-CH2 4.23Å; I150-W297 HydrophobicContact CG2-CH2 4.48Å; I150-W297 HydrophobicContact CG2-CZ2 3.88Å; Y295-W297 VanDerWaalsContact CB-CE2 3.48Å; Y295-W297 HydrophobicContact CD1-CH2 4.25Å; Y295-W297 HydrophobicContact CD1-CZ2 4.25Å; Y295-W297 HydrophobicContact CD2-CH2 4.39Å; Y295-W297 AromaticContact CD2-CZ2 3.62Å; Y295-W297 HydrophobicContact CD2-CZ2 3.62Å; Y295-W297 HydrophobicContact CE2-CZ2 4.34Å; Y295-W297 AromaticContact CG-CE2 3.96Å; Y295-W297 AromaticContact CG-CH2 3.99Å; Y295-W297 HydrophobicContact CG-CH2 3.99Å; Y295-W297 AromaticContact CG-CZ2 3.57Å; Y295-W297 HydrophobicContact CG-CZ2 3.57Å; Y295-W297 PolarHBondContact O-N 3.29Å; W297-I308 HydrophobicContact CB-CD1 4.49Å
298E90.7Very high75.1Confident39 Ų3977 Ų7718%0.18242%0.422CS..THydrogen-bonded Turntrans-95.8-20.6174.5-61.2-177.3132.200112R157 P294 Y295R157-E298 IonicContact CZ-OE2 2.72Å; R157-E298 IonicContact NH1-OE2 3.24Å; R157-E298 PolarHBondContact NH1-OE2 2.97Å; P294-E298 HydrophobicContact CB-CB 3.92Å; Y295-E298 PolarHBondContact N-OE2 3.41Å; Y295-E298 WeakPolarHBondContact O-CA 3.43Å; Y295-E298 WeakPolarHBondContact O-CB 3.44Å; Y295-E298 PolarHBondContact O-N 3.42Å
299K85.1Confident73.3Confident67 Ų6773.8 Ų73.829%0.29141%0.405SS..SBendtrans-60.5138175.5-68.5172.6-171.2164.80109.3P294 Y295 D296 S301P294-K299 HydrophobicContact CB-CG 4.11Å; P294-K299 HydrophobicContact CG-CG 3.93Å; P294-K299 VanDerWaalsContact O-CE 3.27Å; P294-K299 WeakPolarHBondContact O-CE 3.48Å; Y295-K299 PolarHBondContact O-N 2.95Å; Y295-K299 VanDerWaalsContact O-N 3.15Å; D296-K299 IonicContact OD1-NZ 3.89Å; D296-K299 PolarHBondContact OD1-NZ 3.04Å; K299-S301 VanDerWaalsContact C-N 3.33Å; K299-S301 PolarHBondContact O-N 2.91Å
300P64.8Low72.2Confident123 Ų12378 Ų7880%0.79942%0.422SS*.  trans-64.397173.3-5.317.2000108.4
301S57.7Low70.8Confident67 Ų6775.1 Ų75.147%0.46941%0.405SS..  trans-81150.7158.970.50000107.4K299 T303 L304K299-S301 VanDerWaalsContact C-N 3.33Å; K299-S301 PolarHBondContact O-N 2.91Å; S301-T303 PolarHBondContact O-N 2.88Å; S301-T303 PolarHBondContact OG-N 3.26Å; S301-T303 PolarHBondContact OG-O 3.3Å; S301-L304 PolarHBondContact O-N 2.6Å; S301-L304 PolarHBondContact OG-N 3.47Å
302E47.3Very low69.8Low207 Ų20770.6 Ų70.697%0.96738%0.38SS*.THydrogen-bonded Turntrans-55.3-8.4171.3-69.3179.3151.800112.9
303T41.1Very low68.1Low118 Ų11866.8 Ų66.872%0.72436%0.359SS*.THydrogen-bonded Turntrans-134.472.4174.620.80000110.3S301 S305S301-T303 PolarHBondContact O-N 2.88Å; S301-T303 PolarHBondContact OG-N 3.26Å; S301-T303 PolarHBondContact OG-O 3.3Å; T303-S305 VanDerWaalsContact C-N 3.25Å; T303-S305 PolarHBondContact O-N 3.15Å
304L45.9Very low65.8Low66 Ų6667.2 Ų67.235%0.34637%0.368SS..  trans-59.799156.7-112141000107.2S301 L306 L309S301-L304 PolarHBondContact O-N 2.6Å; S301-L304 PolarHBondContact OG-N 3.47Å; L304-L306 PolarHBondContact O-N 3.15Å; L304-L309 HydrophobicContact CB-CD1 4.39Å; L304-L309 HydrophobicContact CD2-CD1 4.19Å; L304-L309 HydrophobicContact CD2-CD2 3.57Å; L304-L309 HydrophobicContact CD2-CG 3.6Å
305S53.5Low63.8Low56 Ų5670.3 Ų70.339%0.39238%0.377SS..  trans-55.1119.3174.9177.90000107.4T303 S307 I308T303-S305 VanDerWaalsContact C-N 3.25Å; T303-S305 PolarHBondContact O-N 3.15Å; S305-S307 PolarHBondContact O-N 3.17Å; S305-S307 WeakPolarHBondContact OG-CB 3.49Å; S305-S307 PolarHBondContact OG-N 2.92Å; S305-S307 PolarHBondContact OG-OG 3.49Å; S305-I308 PolarHBondContact O-N 2.97Å
306L54.3Low61.1Low146 Ų14679.8 Ų79.876%0.76442%0.419SS*.Hα-helixtrans-48.5-23.9174.5-72.2168.4000112.1L304 I308 L309L304-L306 PolarHBondContact O-N 3.15Å; L306-I308 VanDerWaalsContact C-N 3.32Å; L306-I308 PolarHBondContact O-N 2.95Å; L306-L309 HydrophobicContact CD2-CD1 4.42Å
307S58.2Low58.5Low38 Ų3883.4 Ų83.427%0.26644%0.437SS..Hα-helixtrans-67.1-22.9176.278.90000115.2R108 S305 K310 W311R108-S307 PolarHBondContact NH1-OG 2.75Å; S305-S307 PolarHBondContact O-N 3.17Å; S305-S307 WeakPolarHBondContact OG-CB 3.49Å; S305-S307 PolarHBondContact OG-N 2.92Å; S305-S307 PolarHBondContact OG-OG 3.49Å; S307-K310 WeakPolarHBondContact O-CE 3.33Å; S307-W311 PolarHBondContact O-NE1 2.77Å; S307-W311 VanDerWaalsContact O-NE1 3.12Å
308I57.9Low55.6Low14 Ų1485.2 Ų85.27%0.07246%0.461CS..Hα-helixtrans-89.2-44177.3-63.4174.9000110.2W297 S305 L306 K310 W311 I312W297-I308 HydrophobicContact CB-CD1 4.49Å; S305-I308 PolarHBondContact O-N 2.97Å; L306-I308 VanDerWaalsContact C-N 3.32Å; L306-I308 PolarHBondContact O-N 2.95Å; I308-K310 PolarHBondContact O-N 3.37Å; I308-K310 VanDerWaalsContact O-N 3.12Å; I308-W311 PolarHBondContact O-N 3.25Å; I308-I312 HydrophobicContact CG2-CD1 3.57Å; I308-I312 HydrophobicContact CG2-CG1 4.21Å
309L58.2Low52.7Low51 Ų5191.4 Ų91.427%0.26750%0.495SS..Hα-helixtrans-53-38.2-176.6-79.6172.5000113.4L304 L306 W311 I312 I313L304-L309 HydrophobicContact CB-CD1 4.39Å; L304-L309 HydrophobicContact CD2-CD1 4.19Å; L304-L309 HydrophobicContact CD2-CD2 3.57Å; L304-L309 HydrophobicContact CD2-CG 3.6Å; L306-L309 HydrophobicContact CD2-CD1 4.42Å; L309-W311 PolarHBondContact O-N 3.24Å; L309-W311 VanDerWaalsContact O-N 3.13Å; L309-I312 PolarHBondContact O-N 3.4Å; L309-I312 VanDerWaalsContact O-N 3.15Å; L309-I313 HydrophobicContact CB-CD1 4.4Å; L309-I313 HydrophobicContact CD2-CD1 4.04Å; L309-I313 PolarHBondContact O-N 3.36Å
310K71.6Confident50Low105 Ų10595.1 Ų95.146%0.45752%0.518SS..Hα-helixtrans-63-17.2178.573.4-175.5-176.8-1720115.2S307 I308S307-K310 WeakPolarHBondContact O-CE 3.33Å; I308-K310 PolarHBondContact O-N 3.37Å; I308-K310 VanDerWaalsContact O-N 3.12Å
311W62.3Low48.4Very low29 Ų2997.6 Ų97.611%0.1152%0.517CS..Hα-helixtrans-95.9-25.8177.8-56.3104.3000112.2L97 R152 G153 S307 I308 L309L97-W311 HydrophobicContact CD2-CZ3 4.38Å; L97-W311 HydrophobicContact CG-CZ3 4.39Å; R152-W311 HydrophobicContact CG-CE3 4.01Å; R152-W311 VanDerWaalsContact CZ-CZ3 3.4Å; G153-W311 PolarHBondContact N-O 2.65Å; S307-W311 PolarHBondContact O-NE1 2.77Å; S307-W311 VanDerWaalsContact O-NE1 3.12Å; I308-W311 PolarHBondContact O-N 3.25Å; L309-W311 PolarHBondContact O-N 3.24Å; L309-W311 VanDerWaalsContact O-N 3.13Å
312I63.6Low46.9Very low25 Ų25102 Ų10213%0.12853%0.532CS..Hα-helixtrans-85.9-40.8-177.2-67.4-176.9000111.3K156 I308 L309K156-I312 HydrophobicContact CD-CB 4.23Å; K156-I312 HydrophobicContact CD-CG1 4.35Å; K156-I312 HydrophobicContact CD-CG2 3.69Å; I308-I312 HydrophobicContact CG2-CD1 3.57Å; I308-I312 HydrophobicContact CG2-CG1 4.21Å; L309-I312 PolarHBondContact O-N 3.4Å; L309-I312 VanDerWaalsContact O-N 3.15Å
313I51.5Low46.2Very low70 Ų70100.2 Ų100.236%0.35952%0.521SS..SBendtrans-86.5127-175.4-59176.7000109.2L309 E315 I317L309-I313 HydrophobicContact CB-CD1 4.4Å; L309-I313 HydrophobicContact CD2-CD1 4.04Å; L309-I313 PolarHBondContact O-N 3.36Å; I313-E315 PolarHBondContact O-N 3.5Å; I313-I317 HydrophobicContact CG2-CD1 4.23Å
314P43.9Very low45.7Very low77 Ų77103.3 Ų103.350%0.553%0.525SS..  trans-59.3131.3171.1-18.329.7000110.3K316 I317P314-K316 PolarHBondContact O-N 3.35Å; P314-I317 PolarHBondContact O-N 3.35Å
315E51.3Low44.8Very low124 Ų124110.4 Ų110.458%0.57955%0.553SS**THydrogen-bonded Turntrans-56.2-5.9-179.5-79.5170.7-175.400114.7H47 R152 I313 I317H47-E315 IonicContact CD2-OE1 3.63Å; H47-E315 IonicContact CD2-OE2 3.49Å; H47-E315 PolarHBondContact CD2-OE2 2.89Å; H47-E315 IonicContact NE2-OE1 2.84Å; H47-E315 IonicContact NE2-OE2 3.58Å; R152-E315 IonicContact NH2-OE1 3.45Å; R152-E315 PolarHBondContact NH2-OE1 3.41Å; I313-E315 PolarHBondContact O-N 3.5Å; E315-I317 VanDerWaalsContact C-N 3.35Å; E315-I317 PolarHBondContact O-N 2.79Å
316K39.6Very low44.3Very low208 Ų208122.4 Ų122.490%0.90459%0.59SS**THydrogen-bonded Turntrans-80.60.8178.8-77.1-167.6175.4-176.60116P314 G318P314-K316 PolarHBondContact O-N 3.35Å; K316-G318 PolarHBondContact O-N 3.32Å
317I37.9Very low43.8Very low104 Ų104121.3 Ų121.353%0.53358%0.581SS.*SBendtrans-92.585.3167.1-52.6179.5000108.2I313 P314 E315 N319I313-I317 HydrophobicContact CG2-CD1 4.23Å; P314-I317 PolarHBondContact O-N 3.35Å; E315-I317 VanDerWaalsContact C-N 3.35Å; E315-I317 PolarHBondContact O-N 2.79Å; I317-N319 PolarHBondContact O-N 3.07Å
318G30.4Very low43Very low55 Ų55125.6 Ų125.657%0.56760%0.598SS**  trans-59.7132173.400000111.8K316 N320K316-G318 PolarHBondContact O-N 3.32Å; G318-N320 VanDerWaalsContact C-N 3.26Å; G318-N320 PolarHBondContact O-N 3.14Å
319N30.2Very low42.2Very low170 Ų170131.8 Ų131.891%0.90963%0.627SS**SBendtrans45.611.7150.9-75.4-6.7000121.9I317I317-N319 PolarHBondContact O-N 3.07Å
320N29.6Very low41.2Very low144 Ų144136.6 Ų136.677%0.7765%0.648SS**  trans-11843.7-176.7-93.90000115.2G318G318-N320 VanDerWaalsContact C-N 3.26Å; G318-N320 PolarHBondContact O-N 3.14Å
321F29.3Very low39.3Very low175 Ų175138.6 Ų138.677%0.76866%0.66SS**  trans-113.777.8158.8-88.9-84.6000110.1
322M26.9Very low37.8Very low159 Ų159145.9 Ų145.978%0.78370%0.697SS**  trans-84.6153.9145.9-87.2-145.5-160.800108.7
323F32.7Very low36Very low170 Ų170154.5 Ų154.575%0.74674%0.737SS**  trans87.8123.4177.4-55.8-79.4000114.7
324F30.7Very low34.8Very low184 Ų184161 Ų16181%0.80777%0.766SS**  cis-131.5124.725.7-88-104.7000113.1
325K27.1Very low34Very low214 Ų214168 Ų16893%0.9379%0.789SS**  trans-119.7111.2140.1-89.2-171176-175.90106.2
326R42.3Very low32.4Very low309 Ų309172 Ų172100%1.16681%0.808SS**  trans-132.50150.9-90.3-167.9176.7-175.9-0106.7

Retrieved 326 of 326 residues in 74 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).