A0A087XYA8_POEFO Loading...

[histone H3]-lysine(4) N-trimethyltransferase

AlphaFold DB , UniProt , Accession A0A087XYA8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 443 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
1M29.8Very low56Low245 Ų24597.9 Ų97.9100%1.20751%0.511SS*.  0920-89.3173.87100107Q3M1-Q3 PolarHBondContact O-N 2.89Å
2E31.8Very low59.3Low177 Ų17795.8 Ų95.883%0.82750%0.496SS*.  trans-68.1126.5177.2-72.4169.2151.300108.8K4E2-K4 PolarHBondContact O-N 2.78Å
3Q28.9Very low62.1Low190 Ų19094.9 Ų94.989%0.88848%0.483SS*.  trans-57.5105.8166.4-87.3171.7-28.900107.3M1 S5M1-Q3 PolarHBondContact O-N 2.89Å; Q3-S5 PolarHBondContact O-N 2.57Å; Q3-S5 VanDerWaalsContact O-N 3.08Å
4K39.3Very low64.5Low147 Ų14790.4 Ų90.464%0.63946%0.458SS*.  trans-54119162.5-75.9-176.7174.8-175.60106.4E2 G6 L9E2-K4 PolarHBondContact O-N 2.78Å; K4-G6 PolarHBondContact O-N 2.94Å; K4-L9 HydrophobicContact CD-CD2 4.38Å
5S51Low66.6Low63 Ų6391.9 Ų91.944%0.44147%0.473SS..  trans-43.6131.4171.2171.90000109Q3 M7 L8Q3-S5 PolarHBondContact O-N 2.57Å; Q3-S5 VanDerWaalsContact O-N 3.08Å; S5-M7 PolarHBondContact O-N 3.31Å; S5-L8 PolarHBondContact O-N 3.39Å
6G53.7Low68.3Low52 Ų5286.8 Ų86.854%0.53645%0.448SS..THydrogen-bonded Turntrans-53.6-23.5-172.400000114.3K4 L9K4-G6 PolarHBondContact O-N 2.94Å; G6-L9 PolarHBondContact O-N 3.49Å
7M62.7Low69.7Low18 Ų1888.5 Ų88.59%0.08947%0.466CS..Hα-helixtrans-60.4-40.8172.8-175.4172.8-177.200113S5 L9 T10 V11 A36 L126 L211S5-M7 PolarHBondContact O-N 3.31Å; M7-L9 PolarHBondContact O-N 2.97Å; M7-L9 VanDerWaalsContact O-N 3.14Å; M7-T10 PolarHBondContact O-N 2.95Å; M7-T10 PolarHBondContact O-OG1 3.04Å; M7-V11 HydrophobicContact CE-CG2 4.39Å; M7-V11 HydrophobicContact CG-CG2 3.87Å; M7-V11 VanDerWaalsContact O-CG2 3.23Å; M7-V11 WeakPolarHBondContact O-CG2 3.41Å; M7-V11 PolarHBondContact O-N 2.92Å; M7-A36 HydrophobicContact CB-CB 4.44Å; M7-A36 HydrophobicContact CE-CB 3.99Å; M7-A36 HydrophobicContact CG-CB 3.76Å; M7-A36 HydrophobicContact SD-CB 3.99Å; M7-L126 HydrophobicContact CE-CD1 4.24Å; M7-L211 HydrophobicContact CE-CD2 3.48Å; M7-L211 VanDerWaalsContact CE-CD2 3.48Å; M7-L211 HydrophobicContact CE-CG 4.2Å
8L62.7Low70.8Confident54 Ų5488.6 Ų88.628%0.28349%0.491SS..Hα-helixtrans-72.6-7.1-176.2-66.2171.7000113.8S5 N124 L126S5-L8 PolarHBondContact O-N 3.39Å; L8-N124 HydrophobicContact CD1-CB 4.05Å; L8-L126 HydrophobicContact CD2-CD1 4.1Å; L8-L126 HydrophobicContact CD2-CD2 3.21Å; L8-L126 HydrophobicContact CD2-CG 3.54Å
9L73.8Confident72Confident105 Ų10588.9 Ų88.955%0.5549%0.487SS..Hα-helixtrans-92.3-25.9179-65.5172.8000112.3K4 G6 M7 T26K4-L9 HydrophobicContact CD-CD2 4.38Å; G6-L9 PolarHBondContact O-N 3.49Å; M7-L9 PolarHBondContact O-N 2.97Å; M7-L9 VanDerWaalsContact O-N 3.14Å; L9-T26 PolarHBondContact O-OG1 3.37Å
10T88.2Confident73Confident24 Ų2486.6 Ų86.615%0.14749%0.485CS..Hα-helixtrans-105.4-23.7-172.949.50000113.7M7 T26 V27 V35M7-T10 PolarHBondContact O-N 2.95Å; M7-T10 PolarHBondContact O-OG1 3.04Å; T10-T26 WeakPolarHBondContact CA-OG1 3.44Å; T10-T26 PolarHBondContact O-N 2.82Å; T10-T26 PolarHBondContact O-OG1 3.35Å; T10-T26 VanDerWaalsContact O-OG1 3.07Å; T10-V27 HydrophobicContact CG2-CG2 4.25Å; T10-V35 PolarHBondContact OG1-O 3.24Å
11V94.4Very high74Confident2 Ų284.6 Ų84.61%0.01247%0.473CS..EExtended strand (participates in β ladder)trans-136.1153-175.7-56.50000112M7 L23 R24 V35 L126 L245M7-V11 HydrophobicContact CE-CG2 4.39Å; M7-V11 HydrophobicContact CG-CG2 3.87Å; M7-V11 VanDerWaalsContact O-CG2 3.23Å; M7-V11 WeakPolarHBondContact O-CG2 3.41Å; M7-V11 PolarHBondContact O-N 2.92Å; V11-L23 HydrophobicContact CB-CD1 4.42Å; V11-L23 HydrophobicContact CB-CD2 4.12Å; V11-L23 HydrophobicContact CB-CG 4.05Å; V11-L23 HydrophobicContact CG1-CD2 4.39Å; V11-L23 HydrophobicContact CG2-CD1 4.24Å; V11-L23 HydrophobicContact CG2-CD2 4Å; V11-L23 HydrophobicContact CG2-CG 4.22Å; V11-R24 WeakPolarHBondContact CA-O 3.28Å; V11-V35 HydrophobicContact CG1-CG1 3.54Å; V11-L126 HydrophobicContact CG2-CD1 4.21Å; V11-L245 HydrophobicContact CB-CD1 4.19Å; V11-L245 HydrophobicContact CG1-CD1 3.35Å
12E94.9Very high77.2Confident72 Ų7272.9 Ų72.934%0.33642%0.416SS..EExtended strand (participates in β ladder)trans-137.7152.4172.467.3-179.2-176.700111.3R24 T26E12-R24 HydrophobicContact CG-CG 3.79Å; E12-R24 PolarHBondContact N-O 3.32Å; E12-R24 PolarHBondContact O-N 2.81Å; E12-R24 IonicContact OE1-CZ 2.75Å; E12-R24 IonicContact OE1-NE 3.95Å; E12-R24 PolarHBondContact OE1-NE 3.11Å; E12-R24 IonicContact OE1-NH2 3.77Å; E12-R24 PolarHBondContact OE1-NH2 2.82Å; E12-T26 HydrophobicContact CB-CG2 3.67Å; E12-T26 HydrophobicContact CG-CG2 3.59Å
13R95.4Very high80.3Confident85 Ų8564.5 Ų64.532%0.32138%0.376SS..EExtended strand (participates in β ladder)trans-70.5141.1168.1177.4178.2170.7-176-0.4109.7N21 G22 E131 L213R13-N21 PolarHBondContact NE-OD1 3.41Å; R13-N21 PolarHBondContact NH2-ND2 3.46Å; R13-N21 PolarHBondContact NH2-OD1 3.43Å; R13-G22 WeakPolarHBondContact CA-O 3.38Å; R13-E131 IonicContact CZ-OE1 2.7Å; R13-E131 IonicContact NH1-OE1 2.84Å; R13-E131 PolarHBondContact NH1-OE1 2.9Å; R13-E131 IonicContact NH1-OE2 3.55Å; R13-E131 IonicContact NH2-OE1 2.99Å; R13-E131 PolarHBondContact NH2-OE1 2.86Å; R13-L213 HydrophobicContact CB-CD1 4Å; R13-L213 HydrophobicContact CG-CD1 4.06Å; R13-L213 HydrophobicContact CG-CD2 4.12Å
14F95.9Very high83.5Confident31 Ų3158.8 Ų58.814%0.13635%0.347CS..EExtended strand (participates in β ladder)trans-142.3167.1169.780.4-67.1000111C16 N21 G22 R24 E244F14-C16 HydrophobicContact CE1-CB 4.41Å; F14-C16 HydrophobicContact CE2-CB 3.76Å; F14-C16 HydrophobicContact CZ-CB 3.66Å; F14-N21 CarbonylContact O-C 3.53Å; F14-G22 VanDerWaalsContact CD1-C 3.43Å; F14-G22 VanDerWaalsContact CD1-O 3.31Å; F14-G22 WeakPolarHBondContact CD1-O 3.39Å; F14-G22 VanDerWaalsContact CE1-C 3.47Å; F14-G22 PolarHBondContact N-O 3.3Å; F14-G22 PolarHBondContact O-N 3.07Å; F14-R24 HydrophobicContact CB-CG 4.2Å; F14-R24 HydrophobicContact CD1-CB 3.68Å; F14-R24 HydrophobicContact CD1-CG 3.7Å; F14-R24 HydrophobicContact CE1-CB 3.77Å; F14-R24 HydrophobicContact CE1-CG 4.3Å; F14-R24 HydrophobicContact CG-CB 4.35Å; F14-R24 HydrophobicContact CG-CG 4Å; F14-R24 HydrophobicContact CZ-CB 4.48Å; F14-E244 HydrophobicContact CE1-CB 4.4Å; F14-E244 HydrophobicContact CE1-CG 4.14Å; F14-E244 HydrophobicContact CZ-CB 4Å; F14-E244 HydrophobicContact CZ-CG 3.93Å
15V96.5Very high86.3Confident113 Ų11351.8 Ų51.869%0.68532%0.316SS*.EExtended strand (participates in β ladder)trans-88.4116.9169.6179.50000108G20V15-G20 CarbonylContact C-O 3.58Å
16C94.1Very high88.5Confident10 Ų1051.2 Ų51.27%0.06831%0.31CS..EExtended strand (participates in β ladder)trans-91.1116.6178.4-170.80000110F14 G18 K19 G20 E244F14-C16 HydrophobicContact CE1-CB 4.41Å; F14-C16 HydrophobicContact CE2-CB 3.76Å; F14-C16 HydrophobicContact CZ-CB 3.66Å; C16-G18 PolarHBondContact O-N 3.46Å; C16-G18 VanDerWaalsContact O-N 3.15Å; C16-K19 HydrophobicContact CB-CB 4.09Å; C16-K19 PolarHBondContact O-N 3Å; C16-G20 PolarHBondContact N-O 2.75Å; C16-G20 PolarHBondContact O-N 2.99Å; C16-E244 PolarHBondContact SG-OE1 3.49Å
17P91.9Very high90.5Very high117 Ų11751.6 Ų51.676%0.7630%0.302SS*.THydrogen-bonded Turntrans-54.4121.8-179.7-26.435.4000112K19P17-K19 VanDerWaalsContact C-N 3.25Å; P17-K19 PolarHBondContact O-N 3.45Å
18G89.7Confident92.2Very high89 Ų8958.2 Ų58.292%0.91833%0.326SS*.THydrogen-bonded Turntrans77.3-3179.100000116C16C16-G18 PolarHBondContact O-N 3.46Å; C16-G18 VanDerWaalsContact O-N 3.15Å
19K92.5Very high93.8Very high95 Ų9555.7 Ų55.741%0.41331%0.312SS..THydrogen-bonded Turntrans-122.30.4177.5-53.7-174.3-168.1169.80114.2C16 P17 N215 E244C16-K19 HydrophobicContact CB-CB 4.09Å; C16-K19 PolarHBondContact O-N 3Å; P17-K19 VanDerWaalsContact C-N 3.25Å; P17-K19 PolarHBondContact O-N 3.45Å; K19-N215 HydrophobicContact CD-CB 4.16Å; K19-E244 IonicContact NZ-OE1 2.71Å; K19-E244 IonicContact NZ-OE2 3.61Å; K19-E244 PolarHBondContact NZ-OE2 2.83Å
20G92.5Very high94.9Very high43 Ų4359 Ų5944%0.44332%0.318SS..EExtended strand (participates in β ladder)trans84.3-126.3-178.800000111.8V15 C16V15-G20 CarbonylContact C-O 3.58Å; C16-G20 PolarHBondContact N-O 2.75Å; C16-G20 PolarHBondContact O-N 2.99Å
21N95.3Very high95.3Very high44 Ų4463.5 Ų63.524%0.23533%0.332CS..EExtended strand (participates in β ladder)trans-82.4161.8173.7-64.4-62.5000110.5R13 F14 Y127 L213 N215R13-N21 PolarHBondContact NE-OD1 3.41Å; R13-N21 PolarHBondContact NH2-ND2 3.46Å; R13-N21 PolarHBondContact NH2-OD1 3.43Å; F14-N21 CarbonylContact O-C 3.53Å; N21-Y127 PolarHBondContact ND2-OH 2.9Å; N21-L213 HydrophobicContact CB-CD2 3.57Å; N21-N215 PolarHBondContact O-ND2 3.17Å
22G96.1Very high95.2Very high0 Ų064 Ų640%034%0.337CS..EExtended strand (participates in β ladder)trans-154.2169.8175.500000111.6R13 F14 L213R13-G22 WeakPolarHBondContact CA-O 3.38Å; F14-G22 VanDerWaalsContact CD1-C 3.43Å; F14-G22 VanDerWaalsContact CD1-O 3.31Å; F14-G22 WeakPolarHBondContact CD1-O 3.39Å; F14-G22 VanDerWaalsContact CE1-C 3.47Å; F14-G22 PolarHBondContact N-O 3.3Å; F14-G22 PolarHBondContact O-N 3.07Å; G22-L213 CarbonylContact C-O 3.53Å; G22-L213 VanDerWaalsContact CA-O 3.26Å; G22-L213 WeakPolarHBondContact CA-O 3.18Å
23L96.8Very high95.2Very high0 Ų064 Ų640%034%0.337CS..EExtended strand (participates in β ladder)trans-110.4135.5170-15373.3000109.3V11 L126 L213 L214 L245V11-L23 HydrophobicContact CB-CD1 4.42Å; V11-L23 HydrophobicContact CB-CD2 4.12Å; V11-L23 HydrophobicContact CB-CG 4.05Å; V11-L23 HydrophobicContact CG1-CD2 4.39Å; V11-L23 HydrophobicContact CG2-CD1 4.24Å; V11-L23 HydrophobicContact CG2-CD2 4Å; V11-L23 HydrophobicContact CG2-CG 4.22Å; L23-L126 HydrophobicContact CD1-CD1 3.84Å; L23-L213 HydrophobicContact CB-CB 4.14Å; L23-L213 HydrophobicContact CD1-CB 4.14Å; L23-L213 HydrophobicContact CD1-CD1 3.86Å; L23-L213 PolarHBondContact N-O 3.49Å; L23-L214 HydrophobicContact CB-CD2 4.14Å; L23-L214 HydrophobicContact CD2-CD2 3.87Å; L23-L214 HydrophobicContact CD2-CG 4.28Å; L23-L245 HydrophobicContact CB-CB 4.49Å; L23-L245 HydrophobicContact CD2-CD1 4.02Å; L23-L245 HydrophobicContact CG-CD1 4.26Å; L23-L245 PolarHBondContact O-N 2.82Å
24R97.1Very high95.2Very high71 Ų7163.3 Ų63.327%0.26834%0.34SS..EExtended strand (participates in β ladder)trans-133.5157176.168.8179.5-173.2-160.3-4.3111.9V11 E12 F14 D243V11-R24 WeakPolarHBondContact CA-O 3.28Å; E12-R24 HydrophobicContact CG-CG 3.79Å; E12-R24 PolarHBondContact N-O 3.32Å; E12-R24 PolarHBondContact O-N 2.81Å; E12-R24 IonicContact OE1-CZ 2.75Å; E12-R24 IonicContact OE1-NE 3.95Å; E12-R24 PolarHBondContact OE1-NE 3.11Å; E12-R24 IonicContact OE1-NH2 3.77Å; E12-R24 PolarHBondContact OE1-NH2 2.82Å; F14-R24 HydrophobicContact CB-CG 4.2Å; F14-R24 HydrophobicContact CD1-CB 3.68Å; F14-R24 HydrophobicContact CD1-CG 3.7Å; F14-R24 HydrophobicContact CE1-CB 3.77Å; F14-R24 HydrophobicContact CE1-CG 4.3Å; F14-R24 HydrophobicContact CG-CB 4.35Å; F14-R24 HydrophobicContact CG-CG 4Å; F14-R24 HydrophobicContact CZ-CB 4.48Å; R24-D243 VanDerWaalsContact CA-O 3.25Å; R24-D243 WeakPolarHBondContact CA-O 3.34Å; R24-D243 VanDerWaalsContact CB-O 3.25Å; R24-D243 WeakPolarHBondContact CB-O 3.24Å
25A97.7Very high95.2Very high0 Ų062.1 Ų62.10%034%0.335CS..EExtended strand (participates in β ladder)trans-72.3136177.300000111.5V27 I29 I239 K242 D243 L245A25-V27 WeakPolarHBondContact CB-O 3.42Å; A25-I29 HydrophobicContact CB-CD1 3.8Å; A25-I29 HydrophobicContact CB-CG1 4.39Å; A25-I239 HydrophobicContact CB-CG2 3.93Å; A25-K242 WeakPolarHBondContact O-CA 3.45Å; A25-K242 PolarHBondContact O-N 3.2Å; A25-D243 PolarHBondContact N-O 2.88Å; A25-L245 HydrophobicContact CB-CD2 4.36Å
26T96.6Very high95.1Very high50 Ų5057 Ų5731%0.30730%0.304SS..SBendtrans-91.3-22.4171.455.80000112.2L9 T10 E12L9-T26 PolarHBondContact O-OG1 3.37Å; T10-T26 WeakPolarHBondContact CA-OG1 3.44Å; T10-T26 PolarHBondContact O-N 2.82Å; T10-T26 PolarHBondContact O-OG1 3.35Å; T10-T26 VanDerWaalsContact O-OG1 3.07Å; E12-T26 HydrophobicContact CB-CG2 3.67Å; E12-T26 HydrophobicContact CG-CG2 3.59Å
27V96.5Very high95.1Very high61 Ų6158.4 Ų58.437%0.3731%0.314SS..SBendtrans-129.3170.2-178.8-60.50000110.2T10 A25 I29T10-V27 HydrophobicContact CG2-CG2 4.25Å; A25-V27 WeakPolarHBondContact CB-O 3.42Å; V27-I29 HydrophobicContact CG2-CG1 4.46Å; V27-I29 PolarHBondContact O-N 3.43Å
28R97.2Very high95.1Very high157 Ų15753.4 Ų53.459%0.59228%0.283SS*.  trans-69.5130.9170-177.1176.7178.8178.4-0.1109.2D238 I239R28-D238 IonicContact CZ-OD2 3.87Å; R28-D238 IonicContact NE-OD2 3.6Å; R28-D238 IonicContact NH2-OD2 2.89Å; R28-D238 PolarHBondContact NH2-OD2 3.08Å; R28-I239 WeakPolarHBondContact CA-O 3.28Å
29I97.4Very high95.3Very high0 Ų054.3 Ų54.30%026%0.264CS..BIsolated β-bridgetrans-116128.7176.1-57.3170.8000107.5A25 V27 Q33 V35 A235 I239 L245A25-I29 HydrophobicContact CB-CD1 3.8Å; A25-I29 HydrophobicContact CB-CG1 4.39Å; V27-I29 HydrophobicContact CG2-CG1 4.46Å; V27-I29 PolarHBondContact O-N 3.43Å; I29-Q33 HydrophobicContact CG2-CB 3.91Å; I29-Q33 HydrophobicContact CG2-CG 4.23Å; I29-V35 HydrophobicContact CD1-CG1 3.95Å; I29-V35 HydrophobicContact CD1-CG2 4.24Å; I29-V35 HydrophobicContact CG2-CG2 3.93Å; I29-A235 HydrophobicContact CG2-CB 3.67Å; I29-I239 HydrophobicContact CB-CB 4.18Å; I29-I239 PolarHBondContact N-O 2.88Å; I29-I239 PolarHBondContact O-N 3.21Å; I29-L245 HydrophobicContact CD1-CD2 4.47Å
30R96.6Very high95.4Very high175 Ų17550.8 Ų50.866%0.6625%0.25SS*.  trans-84.6150.6179.1-65.6-176.4-176.7176.31110.7G32 Q33 D238R30-G32 PolarHBondContact O-N 3.4Å; R30-Q33 WeakPolarHBondContact O-CB 3.38Å; R30-Q33 PolarHBondContact O-N 3.4Å; R30-D238 WeakPolarHBondContact CA-OD1 3.28Å
31R95.6Very high95.5Very high118 Ų11850 Ų5045%0.44524%0.236SC..THydrogen-bonded Turntrans-49.3130.2167.7-173.2177.1169178.9-2.8110.5V236 Q237 D238 D374 M412R31-V236 WeakPolarHBondContact CG-O 3.38Å; R31-Q237 WeakPolarHBondContact CA-O 3.32Å; R31-Q237 PolarHBondContact N-O 3.08Å; R31-D238 PolarHBondContact N-OD1 3.41Å; R31-D374 VanDerWaalsContact NH2-C 3.26Å; R31-D374 PolarHBondContact NH2-O 3.45Å; R31-M412 HydrophobicContact CB-CE 4.21Å; R31-M412 HydrophobicContact CG-CE 3.61Å; R31-M412 WeakPolarHBondContact O-CE 3.45Å
32G93.6Very high95.5Very high12 Ų1248.5 Ų48.512%0.12423%0.229CC..THydrogen-bonded Turntrans88.2-10.1-177.900000115.6R30 R234 A235R30-G32 PolarHBondContact O-N 3.4Å; G32-R234 PolarHBondContact O-NH1 3.42Å; G32-A235 WeakPolarHBondContact CA-O 3.44Å; G32-A235 PolarHBondContact N-O 3.47Å
33Q95.1Very high95.6Very high72 Ų7248.8 Ų48.834%0.33623%0.231SC..  trans-72.1140-177.1-173.6178.8-14.900111.8I29 R30 V35 R234 A235I29-Q33 HydrophobicContact CG2-CB 3.91Å; I29-Q33 HydrophobicContact CG2-CG 4.23Å; R30-Q33 WeakPolarHBondContact O-CB 3.38Å; R30-Q33 PolarHBondContact O-N 3.4Å; Q33-V35 PolarHBondContact O-N 2.8Å; Q33-R234 WeakPolarHBondContact O-CA 3.48Å; Q33-A235 PolarHBondContact O-N 2.75Å
34L95.3Very high95.5Very high72 Ų7248.8 Ų48.838%0.37723%0.231SC..EExtended strand (participates in β ladder)trans-67118166.7-177.868.2000109.5Q232 R234L34-Q232 HydrophobicContact CD1-CB 3.85Å; L34-Q232 HydrophobicContact CD1-CG 4.26Å; L34-R234 HydrophobicContact CD1-CG 4.04Å
35V95.7Very high95.5Very high5 Ų545.4 Ų45.43%0.0322%0.219CC..EExtended strand (participates in β ladder)trans-86.6-50.2-178.1-179.30000110.6T10 V11 I29 Q33 L233 A235 L245T10-V35 PolarHBondContact OG1-O 3.24Å; V11-V35 HydrophobicContact CG1-CG1 3.54Å; I29-V35 HydrophobicContact CD1-CG1 3.95Å; I29-V35 HydrophobicContact CD1-CG2 4.24Å; I29-V35 HydrophobicContact CG2-CG2 3.93Å; Q33-V35 PolarHBondContact O-N 2.8Å; V35-L233 HydrophobicContact CB-CB 4.39Å; V35-L233 HydrophobicContact CB-CD2 3.97Å; V35-L233 HydrophobicContact CB-CG 4.16Å; V35-L233 WeakPolarHBondContact CB-O 3.26Å; V35-L233 HydrophobicContact CG1-CD2 3.85Å; V35-L233 PolarHBondContact N-O 3.5Å; V35-A235 HydrophobicContact CG2-CB 3.97Å; V35-L245 HydrophobicContact CG1-CD1 3.86Å
36A94.1Very high95.4Very high5 Ų546.2 Ų46.24%0.04122%0.224CC..EExtended strand (participates in β ladder)trans-154.4156.4-177.700000110.3M7 L211 L233M7-A36 HydrophobicContact CB-CB 4.44Å; M7-A36 HydrophobicContact CE-CB 3.99Å; M7-A36 HydrophobicContact CG-CB 3.76Å; M7-A36 HydrophobicContact SD-CB 3.99Å; A36-L211 HydrophobicContact CB-CD2 4.13Å; A36-L233 HydrophobicContact CB-CB 4.35Å; A36-L233 PolarHBondContact N-O 3.46Å; A36-L233 PolarHBondContact O-N 3.21Å
37S93.3Very high95.2Very high40 Ų4045.5 Ų45.528%0.2823%0.227SC..EExtended strand (participates in β ladder)trans-136.9141.1167.7-176.40000108.8R230 L231S37-R230 WeakPolarHBondContact OG-CD 3.41Å; S37-R230 WeakPolarHBondContact OG-CG 3.23Å; S37-L231 VanDerWaalsContact CA-O 3.23Å; S37-L231 WeakPolarHBondContact CA-O 3.35Å; S37-L231 PolarHBondContact OG-O 3.35Å
38A93.1Very high94.9Very high13 Ų1351.8 Ų51.811%0.10725%0.249CC..EExtended strand (participates in β ladder)trans-141.9139.2-178.600000111Y208 L211 L231A38-Y208 HydrophobicContact CB-CD1 4.25Å; A38-L211 HydrophobicContact CB-CD1 3.7Å; A38-L211 HydrophobicContact CB-CG 4.15Å; A38-L231 PolarHBondContact N-O 2.82Å; A38-L231 PolarHBondContact O-N 3.4Å
39E93.6Very high94.7Very high108 Ų10847 Ų4751%0.50523%0.231SC..  trans-80.7150.7162.3-60.6-61.916700109.1R230E39-R230 VanDerWaalsContact OE1-CD 3.29Å; E39-R230 WeakPolarHBondContact OE1-CD 3.49Å
40P94.9Very high94.4Very high21 Ų2147.5 Ų47.514%0.13624%0.235CC..  trans-71.6148.1177.628.3-30.8000110.8A42 L207 Y208 E229P40-A42 WeakPolarHBondContact CB-O 3.45Å; P40-A42 PolarHBondContact O-N 3.21Å; P40-L207 CarbonylContact C-O 3.56Å; P40-L207 WeakPolarHBondContact CA-O 3.12Å; P40-Y208 HydrophobicContact CB-CD1 4.06Å; P40-Y208 HydrophobicContact CB-CE1 3.59Å; P40-Y208 HydrophobicContact CB-CE2 4.26Å; P40-Y208 HydrophobicContact CG-CE1 4.05Å; P40-E229 WeakPolarHBondContact CD-O 3.31Å; P40-E229 HydrophobicContact CG-CB 4.14Å; P40-E229 HydrophobicContact CG-CG 3.98Å
41L94.6Very high94.3Very high27 Ų2741.5 Ų41.514%0.14122%0.223CC..SBendtrans-59-40.7164.4174.260.2000110.3I113 L117 P121 L207 P209L41-I113 HydrophobicContact CD2-CG2 3.97Å; L41-L117 HydrophobicContact CD1-CD2 4.25Å; L41-P121 HydrophobicContact CD1-CG 4.23Å; L41-L207 HydrophobicContact CD2-CD2 4.32Å; L41-L207 PolarHBondContact N-O 2.96Å; L41-P209 HydrophobicContact CB-CG 3.92Å; L41-P209 HydrophobicContact CD2-CG 4.25Å
42A95.6Very high94.2Very high11 Ų1139.5 Ų39.59%0.09122%0.219CC..EExtended strand (participates in β ladder)trans-158.7156.7166.900000109.5P40 L109 R112 I113 G206 L207P40-A42 WeakPolarHBondContact CB-O 3.45Å; P40-A42 PolarHBondContact O-N 3.21Å; A42-L109 HydrophobicContact CB-CD1 4.12Å; A42-L109 WeakPolarHBondContact O-CD1 3.37Å; A42-R112 HydrophobicContact CB-CB 3.89Å; A42-I113 HydrophobicContact CB-CG1 3.71Å; A42-G206 VanDerWaalsContact O-CA 3.31Å; A42-G206 WeakPolarHBondContact O-CA 3.16Å; A42-L207 PolarHBondContact O-N 3.29Å
43S97.1Very high94.3Very high6 Ų638.9 Ų38.94%0.04221%0.213CC..EExtended strand (participates in β ladder)trans-140.7159.6178.169.10000110.4F58 R112 V205 E229S43-F58 WeakPolarHBondContact OG-CZ 3.27Å; S43-R112 WeakPolarHBondContact O-CD 3.27Å; S43-R112 PolarHBondContact O-NE 3.05Å; S43-R112 PolarHBondContact O-NH1 3.46Å; S43-V205 CarbonylContact C-O 3.33Å; S43-V205 VanDerWaalsContact CA-O 3.24Å; S43-V205 WeakPolarHBondContact CA-O 3.29Å; S43-E229 WeakPolarHBondContact CB-OE2 3.36Å; S43-E229 PolarHBondContact OG-OE2 3.25Å
44C95.9Very high94.4Very high0 Ų035.5 Ų35.50%020%0.197CC..EExtended strand (participates in β ladder)trans-145.8144162.761.80000112.1D105 G204 V205C44-D105 PolarHBondContact SG-O 3.41Å; C44-G204 CarbonylContact O-C 3.56Å; C44-G204 WeakPolarHBondContact O-CA 3.48Å; C44-V205 PolarHBondContact N-O 2.7Å; C44-V205 PolarHBondContact O-N 3.42Å; C44-V205 VanDerWaalsContact SG-CG2 3.52Å
45V96.9Very high94.5Very high1 Ų132.4 Ų32.41%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-64.5139168.91710000110V53 H55 F58 R108 V203V45-V53 HydrophobicContact CB-CG1 4.42Å; V45-V53 HydrophobicContact CG1-CB 3.73Å; V45-V53 HydrophobicContact CG1-CG1 3.78Å; V45-V53 HydrophobicContact CG2-CG1 3.7Å; V45-H55 HydrophobicContact CG2-CB 4.44Å; V45-F58 HydrophobicContact CG2-CD1 3.93Å; V45-F58 HydrophobicContact CG2-CE1 3.76Å; V45-F58 HydrophobicContact CG2-CE2 4.44Å; V45-F58 HydrophobicContact CG2-CG 4.35Å; V45-F58 HydrophobicContact CG2-CZ 4.02Å; V45-R108 PolarHBondContact O-NH1 2.93Å; V45-V203 WeakPolarHBondContact CA-O 3.47Å
46S95.3Very high94.5Very high16 Ų1634.1 Ų34.111%0.11219%0.188CC..  trans-63.6137-179.7-179.90000111.5K48 R49 A50 D105 V203S46-K48 PolarHBondContact O-N 3.32Å; S46-K48 VanDerWaalsContact O-N 3.17Å; S46-K48 PolarHBondContact OG-N 3.37Å; S46-R49 CarbonylContact O-C 3.1Å; S46-R49 PolarHBondContact O-N 3.32Å; S46-A50 PolarHBondContact O-N 3.43Å; S46-D105 VanDerWaalsContact CA-OD2 3.22Å; S46-D105 WeakPolarHBondContact CA-OD2 3.33Å; S46-D105 VanDerWaalsContact CB-OD2 3.32Å; S46-D105 WeakPolarHBondContact CB-OD2 3.18Å; S46-D105 PolarHBondContact OG-OD2 2.83Å; S46-V203 PolarHBondContact N-O 3.27Å
47G92.1Very high94.6Very high36 Ų3635.6 Ų35.637%0.37120%0.198SC..G310 helixtrans-54-34.1175.400000113.3R49 D105G47-R49 VanDerWaalsContact C-N 3.28Å; G47-R49 PolarHBondContact O-N 3.19Å; G47-D105 PolarHBondContact N-OD1 3.38Å; G47-D105 PolarHBondContact N-OD2 3.37Å
48K90.4Very high94.7Very high192 Ų19233.9 Ų33.984%0.83519%0.185SC*.G310 helixtrans-65.9-28.3178.8-64.3-178.6-178.5177.50113.2S46S46-K48 PolarHBondContact O-N 3.32Å; S46-K48 VanDerWaalsContact O-N 3.17Å; S46-K48 PolarHBondContact OG-N 3.37Å
49R91.7Very high94.7Very high57 Ų5736.1 Ų36.122%0.21520%0.198CC..G310 helixtrans-1134-175.1-62.3-75.8-150.5-174.30.1113S46 G47 A51 E52 V53 E202S46-R49 CarbonylContact O-C 3.1Å; S46-R49 PolarHBondContact O-N 3.32Å; G47-R49 VanDerWaalsContact C-N 3.28Å; G47-R49 PolarHBondContact O-N 3.19Å; R49-A51 PolarHBondContact O-N 2.69Å; R49-E52 PolarHBondContact O-N 2.61Å; R49-V53 HydrophobicContact CB-CG2 3.81Å; R49-V53 PolarHBondContact O-N 2.92Å; R49-E202 PolarHBondContact NE-O 2.88Å
50A92.4Very high94.6Very high10 Ų1035.2 Ų35.28%0.08319%0.19CC..THydrogen-bonded Turntrans-59.7-22.7-17200000114S46 H55 R74S46-A50 PolarHBondContact O-N 3.43Å; A50-H55 PolarHBondContact O-CE1 3.31Å; A50-R74 WeakPolarHBondContact O-CD 3.23Å
51A92.9Very high94.5Very high50 Ų5041 Ų4141%0.41321%0.209SC..THydrogen-bonded Turntrans-77.1-26.2177.600000114R49 R74R49-A51 PolarHBondContact O-N 2.69Å; A51-R74 WeakPolarHBondContact O-CD 3.46Å; A51-R74 PolarHBondContact O-NH1 2.7Å
52E94.6Very high94.2Very high75 Ų7549.2 Ų49.235%0.3525%0.246SC..THydrogen-bonded Turntrans-113.1-16.9-169.1-65166.8-130.300113R49 R60 R61 L64R49-E52 PolarHBondContact O-N 2.61Å; E52-R60 CarbonylContact O-C 3.49Å; E52-R60 VanDerWaalsContact O-CA 3.24Å; E52-R60 WeakPolarHBondContact O-CA 3.27Å; E52-R60 IonicContact OE2-CZ 3.91Å; E52-R60 IonicContact OE2-NE 3.62Å; E52-R60 IonicContact OE2-NH2 3.09Å; E52-R60 PolarHBondContact OE2-NH2 2.99Å; E52-R61 PolarHBondContact O-N 3.12Å; E52-L64 VanDerWaalsContact C-CD1 3.47Å
53V96.6Very high94.2Very high0 Ų054.3 Ų54.30%028%0.277CS..BIsolated β-bridgetrans-109.5132.6-175.6176.30000111.5V45 R49 H55 R60 V203V45-V53 HydrophobicContact CB-CG1 4.42Å; V45-V53 HydrophobicContact CG1-CB 3.73Å; V45-V53 HydrophobicContact CG1-CG1 3.78Å; V45-V53 HydrophobicContact CG2-CG1 3.7Å; R49-V53 HydrophobicContact CB-CG2 3.81Å; R49-V53 PolarHBondContact O-N 2.92Å; V53-H55 PolarHBondContact O-N 2.92Å; V53-H55 PolarHBondContact O-ND1 3.26Å; V53-R60 HydrophobicContact CG2-CG 3.68Å; V53-V203 HydrophobicContact CG1-CB 4.26Å; V53-V203 HydrophobicContact CG2-CB 4.04Å; V53-V203 HydrophobicContact CG2-CG1 3.8Å
54C97Very high94.2Very high0 Ų055.3 Ų55.30%028%0.281CS..  trans-66.9126.6171.4179.40000111.6H56 C57 F58 T59 L64 C76C54-H56 PolarHBondContact O-N 3.38Å; C54-H56 PolarHBondContact SG-N 3.1Å; C54-C57 VanDerWaalsContact SG-SG 3.65Å; C54-F58 VanDerWaalsContact O-CA 3.29Å; C54-F58 WeakPolarHBondContact O-CA 3.32Å; C54-F58 PolarHBondContact O-N 3.38Å; C54-T59 PolarHBondContact N-O 2.86Å; C54-L64 HydrophobicContact CB-CD2 4.19Å; C54-C76 WeakPolarHBondContact CB-SG 3.42Å; C54-C76 PolarHBondContact SG-N 3.19Å; C54-C76 VanDerWaalsContact SG-N 3.41Å
55H96.9Very high94.2Very high7 Ų759.6 Ų59.63%0.03230%0.304CS..THydrogen-bonded Turntrans-73.78.6179.8-72.555.9000115V45 A50 V53 A73 R74 Y75V45-H55 HydrophobicContact CG2-CB 4.44Å; A50-H55 PolarHBondContact O-CE1 3.31Å; V53-H55 PolarHBondContact O-N 2.92Å; V53-H55 PolarHBondContact O-ND1 3.26Å; H55-A73 HydrophobicContact CB-CB 4.4Å; H55-R74 WeakPolarHBondContact CB-O 3.08Å; H55-R74 PolarHBondContact N-O 3.4Å; H55-R74 PolarHBondContact ND1-N 2.91Å; H55-R74 PolarHBondContact ND1-O 3.16Å; H55-Y75 HydrophobicContact CB-CD1 4.38Å; H55-Y75 HydrophobicContact CB-CE1 3.91Å
56H96.3Very high94.2Very high41 Ų4166.2 Ų66.219%0.1933%0.329CS..THydrogen-bonded Turntrans-118.3-61.8174.4-174.757.6000110.6C54 F58 Y75 C80 Q83 A84C54-H56 PolarHBondContact O-N 3.38Å; C54-H56 PolarHBondContact SG-N 3.1Å; H56-F58 WeakPolarHBondContact O-CD2 3.36Å; H56-Y75 HydrophobicContact CB-CD1 4.3Å; H56-C80 HydrophobicContact CB-CB 3.83Å; H56-Q83 WeakPolarHBondContact CE1-CB 3.37Å; H56-Q83 WeakPolarHBondContact NE2-CB 3.41Å; H56-Q83 PolarHBondContact NE2-OE1 3.35Å; H56-A84 HydrophobicContact CB-CB 3.9Å; H56-A84 PolarHBondContact ND1-N 3.43Å
57C94.9Very high94.3Very high36 Ų3665.6 Ų65.624%0.24332%0.324CS..THydrogen-bonded Turntrans-93.30.2-174.170.30000114.3C54 T59 G228C54-C57 VanDerWaalsContact SG-SG 3.65Å; C57-T59 PolarHBondContact O-N 3.45Å; C57-T59 PolarHBondContact O-OG1 3.46Å; C57-T59 PolarHBondContact SG-OG1 3.35Å; C57-G228 VanDerWaalsContact O-CA 3.3Å; C57-G228 WeakPolarHBondContact O-CA 3.22Å
58F95.8Very high94.5Very high4 Ų467.8 Ų67.82%0.01833%0.334CS..  trans57.910.4-179.7-71.5-111.5000115.2S43 V45 C54 H56 I195 V203 E229S43-F58 WeakPolarHBondContact OG-CZ 3.27Å; V45-F58 HydrophobicContact CG2-CD1 3.93Å; V45-F58 HydrophobicContact CG2-CE1 3.76Å; V45-F58 HydrophobicContact CG2-CE2 4.44Å; V45-F58 HydrophobicContact CG2-CG 4.35Å; V45-F58 HydrophobicContact CG2-CZ 4.02Å; C54-F58 VanDerWaalsContact O-CA 3.29Å; C54-F58 WeakPolarHBondContact O-CA 3.32Å; C54-F58 PolarHBondContact O-N 3.38Å; H56-F58 WeakPolarHBondContact O-CD2 3.36Å; F58-I195 HydrophobicContact CD1-CD1 4.4Å; F58-I195 HydrophobicContact CD1-CG2 3.99Å; F58-I195 HydrophobicContact CE1-CD1 3.82Å; F58-I195 HydrophobicContact CE1-CG2 4.43Å; F58-I195 HydrophobicContact CZ-CD1 4.22Å; F58-V203 HydrophobicContact CB-CG2 4.42Å; F58-V203 HydrophobicContact CD1-CG2 4.14Å; F58-E229 HydrophobicContact CD2-CB 3.79Å; F58-E229 HydrophobicContact CE2-CB 3.69Å; F58-E229 HydrophobicContact CE2-CG 4.36Å; F58-E229 WeakPolarHBondContact CE2-OE2 3.49Å; F58-E229 HydrophobicContact CG-CB 4.42Å; F58-E229 HydrophobicContact CZ-CB 4.22Å
59T92.8Very high94.7Very high60 Ų6062.8 Ų62.837%0.36831%0.314SS..  trans-79.5137.9176-43.70000111C54 C57C54-T59 PolarHBondContact N-O 2.86Å; C57-T59 PolarHBondContact O-N 3.45Å; C57-T59 PolarHBondContact O-OG1 3.46Å; C57-T59 PolarHBondContact SG-OG1 3.35Å
60R92.4Very high94.9Very high89 Ų8960.1 Ų60.134%0.33630%0.304SS..BIsolated β-bridgetrans-73.5138.2171.5-68179.476.4-167-1.1111.3E52 V53 D197 V203E52-R60 CarbonylContact O-C 3.49Å; E52-R60 VanDerWaalsContact O-CA 3.24Å; E52-R60 WeakPolarHBondContact O-CA 3.27Å; E52-R60 IonicContact OE2-CZ 3.91Å; E52-R60 IonicContact OE2-NE 3.62Å; E52-R60 IonicContact OE2-NH2 3.09Å; E52-R60 PolarHBondContact OE2-NH2 2.99Å; V53-R60 HydrophobicContact CG2-CG 3.68Å; R60-D197 WeakPolarHBondContact CD-OD2 3.34Å; R60-V203 HydrophobicContact CG-CG1 4.38Å
61R92.3Very high95Very high142 Ų14264.1 Ų64.154%0.53632%0.319SS..  trans-145145.2173.7-62.1-67.1-178.6174.7-2.9109.6E52 T63 L64 C76E52-R61 PolarHBondContact O-N 3.12Å; R61-T63 VanDerWaalsContact C-N 3.28Å; R61-T63 PolarHBondContact O-N 3.23Å; R61-L64 HydrophobicContact CB-CD2 3.71Å; R61-L64 HydrophobicContact CB-CG 4.13Å; R61-L64 HydrophobicContact CG-CD2 4Å; R61-C76 VanDerWaalsContact CG-SG 3.54Å
62E89.1Confident95Very high200 Ų20062.3 Ų62.394%0.93530%0.302SS*.SBendtrans-63.1-37.1174-63177.5177.400112
63T94Very high95.1Very high119 Ų11958.8 Ų58.873%0.7329%0.286SS*.SBendtrans-124.5131.5-179.457.80000111R61R61-T63 VanDerWaalsContact C-N 3.28Å; R61-T63 PolarHBondContact O-N 3.23Å
64L97.2Very high95.2Very high26 Ų2662.6 Ų62.614%0.13630%0.3CS..  trans-136.3143.7-179.6-66.2173.4000111.3E52 C54 R61 R74 C76E52-L64 VanDerWaalsContact C-CD1 3.47Å; C54-L64 HydrophobicContact CB-CD2 4.19Å; R61-L64 HydrophobicContact CB-CD2 3.71Å; R61-L64 HydrophobicContact CB-CG 4.13Å; R61-L64 HydrophobicContact CG-CD2 4Å; L64-R74 HydrophobicContact CB-CB 3.84Å; L64-R74 HydrophobicContact CD1-CB 3.78Å; L64-R74 HydrophobicContact CG-CB 4.43Å; L64-C76 HydrophobicContact CD2-CB 4.49Å
65L96.9Very high95.2Very high90 Ų9062.6 Ų62.647%0.47130%0.3SS..EExtended strand (participates in β ladder)trans-76.8128.1173.1-56.5-179.2000110.3R74 Y75L65-R74 CarbonylContact O-C 3.57Å; L65-R74 VanDerWaalsContact O-CA 3.26Å; L65-R74 WeakPolarHBondContact O-CA 3.12Å; L65-Y75 PolarHBondContact N-O 2.99Å; L65-Y75 PolarHBondContact O-N 2.99Å
66R96.8Very high95.2Very high141 Ų14163.8 Ų63.853%0.53231%0.309SS..EExtended strand (participates in β ladder)trans-90136.4-179.1-175.4174.467.7164.1-4.1111.4S68 K71R66-S68 PolarHBondContact O-N 2.89Å; R66-K71 WeakPolarHBondContact CD-O 3.46Å; R66-K71 HydrophobicContact CG-CB 4.49Å; R66-K71 WeakPolarHBondContact CG-O 3.41Å
67C97.4Very high95.3Very high3 Ų365.6 Ų65.62%0.0232%0.32CS..PPolyproline II helixtrans-54.5124.1170.4-178.20000110.1Q69 K71 A73 Y75C67-Q69 PolarHBondContact O-N 3.36Å; C67-K71 WeakPolarHBondContact O-CA 3.45Å; C67-K71 PolarHBondContact O-N 3.49Å; C67-K71 VanDerWaalsContact O-N 3.08Å; C67-A73 HydrophobicContact CB-CB 4.15Å; C67-A73 WeakPolarHBondContact CB-O 3.49Å; C67-A73 PolarHBondContact N-O 3.38Å; C67-Y75 HydrophobicContact CB-CE2 4.14Å
68S95.8Very high95.4Very high81 Ų8167.2 Ų67.257%0.56634%0.336SS*.THydrogen-bonded Turntrans-68.9-21.1-17560.70000113.3R66 K71R66-S68 PolarHBondContact O-N 2.89Å; S68-K71 WeakPolarHBondContact O-CE 3.48Å; S68-K71 PolarHBondContact O-NZ 2.8Å
69Q95.6Very high95.5Very high88 Ų8868.6 Ų68.641%0.41135%0.351SS..THydrogen-bonded Turntrans-90.1-63-178.9-65.2-166.84.200112.5C67C67-Q69 PolarHBondContact O-N 3.36Å
70C95.1Very high95.7Very high1 Ų166.4 Ų66.41%0.00734%0.338CS..THydrogen-bonded Turntrans-82.7-16.1-175.4700000113.8M72 A73 H88 C92 L95 R96 L99C70-M72 PolarHBondContact O-N 3.16Å; C70-A73 PolarHBondContact SG-N 3.39Å; C70-H88 VanDerWaalsContact SG-CE1 3.56Å; C70-H88 PolarHBondContact SG-NE2 3Å; C70-C92 HydrophobicContact CB-CB 4.5Å; C70-C92 WeakPolarHBondContact CB-O 3.28Å; C70-L95 HydrophobicContact CB-CB 3.84Å; C70-R96 HydrophobicContact CB-CB 4.46Å; C70-L99 WeakPolarHBondContact O-CD1 3.37Å
71K94.3Very high96Very high94 Ų9464.8 Ų64.841%0.40933%0.334SS..SBendtrans56.52.7-175.2-47.7-55-167.9-173.10116R66 C67 S68 L99R66-K71 WeakPolarHBondContact CD-O 3.46Å; R66-K71 HydrophobicContact CG-CB 4.49Å; R66-K71 WeakPolarHBondContact CG-O 3.41Å; C67-K71 WeakPolarHBondContact O-CA 3.45Å; C67-K71 PolarHBondContact O-N 3.49Å; C67-K71 VanDerWaalsContact O-N 3.08Å; S68-K71 WeakPolarHBondContact O-CE 3.48Å; S68-K71 PolarHBondContact O-NZ 2.8Å; K71-L99 HydrophobicContact CB-CD1 3.97Å
72M94.1Very high96.2Very high12 Ų1266.4 Ų66.46%0.05935%0.345CS..  trans-99.2-53.9178.9-177.5-87.1-11300111.7C70 R74 L95 L99 L102 R108C70-M72 PolarHBondContact O-N 3.16Å; M72-R74 WeakPolarHBondContact O-CG 3.38Å; M72-L95 HydrophobicContact CB-CD1 4.46Å; M72-L95 HydrophobicContact CE-CD1 3.51Å; M72-L95 HydrophobicContact CE-CD2 3.61Å; M72-L95 HydrophobicContact CE-CG 4.21Å; M72-L95 HydrophobicContact SD-CD1 4.1Å; M72-L99 HydrophobicContact CB-CD1 4.29Å; M72-L99 HydrophobicContact CB-CD2 4.32Å; M72-L102 HydrophobicContact CE-CD2 4.07Å; M72-L102 HydrophobicContact CG-CD1 4.18Å; M72-L102 HydrophobicContact CG-CD2 3.96Å; M72-R108 VanDerWaalsContact CE-NH2 3.27Å
73A96.3Very high96.5Very high0 Ų062.8 Ų62.80%033%0.328CS..  trans-66140.3-177.100000111.8H55 C67 C70 Y75 H88H55-A73 HydrophobicContact CB-CB 4.4Å; C67-A73 HydrophobicContact CB-CB 4.15Å; C67-A73 WeakPolarHBondContact CB-O 3.49Å; C67-A73 PolarHBondContact N-O 3.38Å; C70-A73 PolarHBondContact SG-N 3.39Å; A73-Y75 HydrophobicContact CB-CE2 4.15Å; A73-Y75 WeakPolarHBondContact CB-OH 3.21Å; A73-H88 VanDerWaalsContact CB-CE1 3.47Å; A73-H88 WeakPolarHBondContact CB-CE1 3.49Å
74R97.6Very high96.6Very high80 Ų8057.7 Ų57.730%0.30230%0.298SS..EExtended strand (participates in β ladder)trans-129.7148-176-62.9-164.1-179.3-154-3.7112.4A50 A51 H55 L64 L65 M72A50-R74 WeakPolarHBondContact O-CD 3.23Å; A51-R74 WeakPolarHBondContact O-CD 3.46Å; A51-R74 PolarHBondContact O-NH1 2.7Å; H55-R74 WeakPolarHBondContact CB-O 3.08Å; H55-R74 PolarHBondContact N-O 3.4Å; H55-R74 PolarHBondContact ND1-N 2.91Å; H55-R74 PolarHBondContact ND1-O 3.16Å; L64-R74 HydrophobicContact CB-CB 3.84Å; L64-R74 HydrophobicContact CD1-CB 3.78Å; L64-R74 HydrophobicContact CG-CB 4.43Å; L65-R74 CarbonylContact O-C 3.57Å; L65-R74 VanDerWaalsContact O-CA 3.26Å; L65-R74 WeakPolarHBondContact O-CA 3.12Å; M72-R74 WeakPolarHBondContact O-CG 3.38Å
75Y98.2Very high96.6Very high1 Ų161 Ų610%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-140.3144.6-172.9-51.8-77.4000112.4H55 H56 L65 C67 A73 N77 C80 Q81 A84 H88H55-Y75 HydrophobicContact CB-CD1 4.38Å; H55-Y75 HydrophobicContact CB-CE1 3.91Å; H56-Y75 HydrophobicContact CB-CD1 4.3Å; L65-Y75 PolarHBondContact N-O 2.99Å; L65-Y75 PolarHBondContact O-N 2.99Å; C67-Y75 HydrophobicContact CB-CE2 4.14Å; A73-Y75 HydrophobicContact CB-CE2 4.15Å; A73-Y75 WeakPolarHBondContact CB-OH 3.21Å; Y75-N77 PolarHBondContact O-N 3.49Å; Y75-C80 HydrophobicContact CD1-CB 4.42Å; Y75-Q81 HydrophobicContact CD1-CB 4.25Å; Y75-Q81 HydrophobicContact CD2-CB 3.62Å; Y75-Q81 HydrophobicContact CD2-CG 3.64Å; Y75-Q81 HydrophobicContact CE2-CB 4.1Å; Y75-Q81 HydrophobicContact CE2-CG 3.69Å; Y75-Q81 HydrophobicContact CG-CB 3.7Å; Y75-Q81 HydrophobicContact CG-CG 4.23Å; Y75-A84 HydrophobicContact CD1-CB 4.38Å; Y75-A84 HydrophobicContact CE1-CB 3.58Å; Y75-H88 PolarHBondContact OH-CD2 3.07Å
76C97Very high96.3Very high31 Ų3162 Ų6221%0.20932%0.323CS..SBendtrans-58.2-39.3175-66.50000112.1C54 R61 L64C54-C76 WeakPolarHBondContact CB-SG 3.42Å; C54-C76 PolarHBondContact SG-N 3.19Å; C54-C76 VanDerWaalsContact SG-N 3.41Å; R61-C76 VanDerWaalsContact CG-SG 3.54Å; L64-C76 HydrophobicContact CD2-CB 4.49Å
77N96.8Very high96Very high80 Ų8057.3 Ų57.343%0.42832%0.319SS..SBendtrans-161.3174.2-174.755.956.8000111Y75 G79 C80 Q81Y75-N77 PolarHBondContact O-N 3.49Å; N77-G79 PolarHBondContact O-N 3.43Å; N77-G79 WeakPolarHBondContact OD1-CA 3.23Å; N77-G79 PolarHBondContact OD1-N 2.79Å; N77-C80 PolarHBondContact O-N 3.02Å; N77-C80 PolarHBondContact OD1-N 3.11Å; N77-Q81 PolarHBondContact O-N 3.25Å; N77-Q81 VanDerWaalsContact O-N 3.13Å
78A97.3Very high95.9Very high69 Ų6957.2 Ų57.257%0.5732%0.319SS*.Hα-helixtrans-60.4-28.117800000113.4Q81 K82A78-Q81 PolarHBondContact O-N 3.35Å; A78-K82 WeakPolarHBondContact O-CB 3.46Å; A78-K82 PolarHBondContact O-N 3.14Å
79G97.9Very high95.9Very high33 Ų3357.9 Ų57.934%0.3431%0.311SS..Hα-helixtrans-64.6-51.3175.900000112N77 Q81 K82 Q83N77-G79 PolarHBondContact O-N 3.43Å; N77-G79 WeakPolarHBondContact OD1-CA 3.23Å; N77-G79 PolarHBondContact OD1-N 2.79Å; G79-Q81 VanDerWaalsContact C-N 3.32Å; G79-Q81 PolarHBondContact O-N 3.27Å; G79-K82 PolarHBondContact O-N 3.41Å; G79-Q83 WeakPolarHBondContact O-CG 3.49Å; G79-Q83 PolarHBondContact O-N 3.5Å
80C97.7Very high95.8Very high14 Ų1456.2 Ų56.210%0.09530%0.301CS..Hα-helixtrans-58.7-43.1173.9-76.80000111.9H56 Y75 N77 K82 Q83 A84H56-C80 HydrophobicContact CB-CB 3.83Å; Y75-C80 HydrophobicContact CD1-CB 4.42Å; N77-C80 PolarHBondContact O-N 3.02Å; N77-C80 PolarHBondContact OD1-N 3.11Å; C80-K82 VanDerWaalsContact C-N 3.34Å; C80-K82 PolarHBondContact O-N 3.37Å; C80-Q83 PolarHBondContact O-N 3.01Å; C80-A84 WeakPolarHBondContact O-CB 3.48Å; C80-A84 PolarHBondContact O-N 3.09Å
81Q97.8Very high95.8Very high56 Ų5656.1 Ų56.126%0.26230%0.301SS..Hα-helixtrans-61.3-42.1177.8-176.8175.47.600112.3Y75 N77 A78 G79 W85Y75-Q81 HydrophobicContact CD1-CB 4.25Å; Y75-Q81 HydrophobicContact CD2-CB 3.62Å; Y75-Q81 HydrophobicContact CD2-CG 3.64Å; Y75-Q81 HydrophobicContact CE2-CB 4.1Å; Y75-Q81 HydrophobicContact CE2-CG 3.69Å; Y75-Q81 HydrophobicContact CG-CB 3.7Å; Y75-Q81 HydrophobicContact CG-CG 4.23Å; N77-Q81 PolarHBondContact O-N 3.25Å; N77-Q81 VanDerWaalsContact O-N 3.13Å; A78-Q81 PolarHBondContact O-N 3.35Å; G79-Q81 VanDerWaalsContact C-N 3.32Å; G79-Q81 PolarHBondContact O-N 3.27Å; Q81-W85 PolarHBondContact O-N 3.28Å
82K97.3Very high95.9Very high175 Ų17551.7 Ų51.776%0.76128%0.281SS*.Hα-helixtrans-66.7-42.6179.2-174179.8179.1-1770111.6A78 G79 C80 W85A78-K82 WeakPolarHBondContact O-CB 3.46Å; A78-K82 PolarHBondContact O-N 3.14Å; G79-K82 PolarHBondContact O-N 3.41Å; C80-K82 VanDerWaalsContact C-N 3.34Å; C80-K82 PolarHBondContact O-N 3.37Å; K82-W85 WeakPolarHBondContact O-CB 3.22Å; K82-W85 PolarHBondContact O-N 2.84Å
83Q95.9Very high96Very high124 Ų12454.2 Ų54.258%0.57929%0.29SS*.Hα-helixtrans-67.5-40.5-179.9-68.7175.142.600112H56 G79 C80 W85H56-Q83 WeakPolarHBondContact CE1-CB 3.37Å; H56-Q83 WeakPolarHBondContact NE2-CB 3.41Å; H56-Q83 PolarHBondContact NE2-OE1 3.35Å; G79-Q83 WeakPolarHBondContact O-CG 3.49Å; G79-Q83 PolarHBondContact O-N 3.5Å; C80-Q83 PolarHBondContact O-N 3.01Å; Q83-W85 PolarHBondContact O-N 3.43Å
84A95.9Very high95.9Very high12 Ų1254.2 Ų54.210%0.09929%0.29CS..Hα-helixtrans-71.4-13.9177.700000114.4H56 Y75 C80 S86 G87 H88H56-A84 HydrophobicContact CB-CB 3.9Å; H56-A84 PolarHBondContact ND1-N 3.43Å; Y75-A84 HydrophobicContact CD1-CB 4.38Å; Y75-A84 HydrophobicContact CE1-CB 3.58Å; C80-A84 WeakPolarHBondContact O-CB 3.48Å; C80-A84 PolarHBondContact O-N 3.09Å; A84-S86 VanDerWaalsContact C-N 3.3Å; A84-S86 PolarHBondContact O-N 3.36Å; A84-G87 PolarHBondContact O-N 2.96Å; A84-H88 VanDerWaalsContact O-CB 3.23Å; A84-H88 WeakPolarHBondContact O-CB 3.34Å; A84-H88 PolarHBondContact O-N 3Å
85W95.8Very high95.8Very high96 Ų9650.4 Ų50.436%0.36428%0.276SS..Hα-helixtrans-61.9-35.2-169-176.6-117.4000113.5Q81 K82 Q83 G87 H88 K89 C92Q81-W85 PolarHBondContact O-N 3.28Å; K82-W85 WeakPolarHBondContact O-CB 3.22Å; K82-W85 PolarHBondContact O-N 2.84Å; Q83-W85 PolarHBondContact O-N 3.43Å; W85-G87 PolarHBondContact O-N 3.16Å; W85-H88 AromaticContact CZ3-CD2 3.93Å; W85-H88 PolarHBondContact O-N 3.47Å; W85-K89 HydrophobicContact CD2-CB 4.1Å; W85-K89 HydrophobicContact CE3-CB 4.46Å; W85-K89 HydrophobicContact CH2-CB 4.34Å; W85-K89 HydrophobicContact CH2-CG 4.3Å; W85-K89 HydrophobicContact CZ2-CB 3.98Å; W85-K89 HydrophobicContact CZ2-CD 4.22Å; W85-K89 HydrophobicContact CZ2-CG 3.73Å; W85-K89 WeakPolarHBondContact O-CB 3.43Å; W85-K89 PolarHBondContact O-N 3.29Å; W85-C92 HydrophobicContact CZ3-CB 4.32Å
86S91.9Very high95.6Very high110 Ų11055.5 Ų55.577%0.76930%0.295SS*.Hα-helixtrans-60.1-46.5177.251.10000112A84A84-S86 VanDerWaalsContact C-N 3.3Å; A84-S86 PolarHBondContact O-N 3.36Å
87G90.3Very high95.2Very high44 Ų4459.8 Ų59.845%0.45431%0.307SS..Hα-helixtrans-77.8-26.3176.800000114A84 W85A84-G87 PolarHBondContact O-N 2.96Å; W85-G87 PolarHBondContact O-N 3.16Å
88H95.6Very high94.7Very high1 Ų158.2 Ų58.21%0.00530%0.298CS..Hα-helixtrans-88.7-31.4-177.2-179.751.2000114C70 A73 Y75 A84 W85 R90 E91 C92C70-H88 VanDerWaalsContact SG-CE1 3.56Å; C70-H88 PolarHBondContact SG-NE2 3Å; A73-H88 VanDerWaalsContact CB-CE1 3.47Å; A73-H88 WeakPolarHBondContact CB-CE1 3.49Å; Y75-H88 PolarHBondContact OH-CD2 3.07Å; A84-H88 VanDerWaalsContact O-CB 3.23Å; A84-H88 WeakPolarHBondContact O-CB 3.34Å; A84-H88 PolarHBondContact O-N 3Å; W85-H88 AromaticContact CZ3-CD2 3.93Å; W85-H88 PolarHBondContact O-N 3.47Å; H88-R90 PolarHBondContact O-N 3.28Å; H88-R90 VanDerWaalsContact O-N 3.17Å; H88-E91 IonicContact ND1-OE2 2.7Å; H88-E91 CarbonylContact O-C 3.53Å; H88-E91 PolarHBondContact O-N 3.34Å; H88-E91 VanDerWaalsContact O-N 3.11Å; H88-C92 WeakPolarHBondContact NE2-CB 3.4Å; H88-C92 VanDerWaalsContact O-CB 3.31Å; H88-C92 WeakPolarHBondContact O-CB 3.08Å; H88-C92 PolarHBondContact O-N 3.41Å
89K94.9Very high94.2Very high94 Ų9458 Ų5841%0.40929%0.287SS..Hα-helixtrans-50.7-47.2-166.3174.4-180176.2-1720114.3W85 C92W85-K89 HydrophobicContact CD2-CB 4.1Å; W85-K89 HydrophobicContact CE3-CB 4.46Å; W85-K89 HydrophobicContact CH2-CB 4.34Å; W85-K89 HydrophobicContact CH2-CG 4.3Å; W85-K89 HydrophobicContact CZ2-CB 3.98Å; W85-K89 HydrophobicContact CZ2-CD 4.22Å; W85-K89 HydrophobicContact CZ2-CG 3.73Å; W85-K89 WeakPolarHBondContact O-CB 3.43Å; W85-K89 PolarHBondContact O-N 3.29Å; K89-C92 WeakPolarHBondContact O-CB 3.39Å
90R94.8Very high93.6Very high53 Ų5362.2 Ų62.220%0.231%0.308CS..Hα-helixtrans-70.6-48.5179.3-68.9-165.6178.6-93.519.1111H88 C92 R93 C94 F115 E161 D163 E169H88-R90 PolarHBondContact O-N 3.28Å; H88-R90 VanDerWaalsContact O-N 3.17Å; R90-C92 PolarHBondContact O-N 2.97Å; R90-R93 WeakPolarHBondContact O-CB 3.14Å; R90-R93 PolarHBondContact O-N 3.45Å; R90-R93 VanDerWaalsContact O-N 3.1Å; R90-C94 PolarHBondContact O-N 3.49Å; R90-F115 HydrophobicContact CB-CD1 4.2Å; R90-F115 HydrophobicContact CB-CD2 3.77Å; R90-F115 HydrophobicContact CB-CE1 4.35Å; R90-F115 HydrophobicContact CB-CE2 3.91Å; R90-F115 HydrophobicContact CB-CG 3.93Å; R90-F115 HydrophobicContact CB-CZ 4.2Å; R90-E161 HydrophobicContact CB-CG 4.31Å; R90-E161 IonicContact NH1-OE1 3.78Å; R90-E161 PolarHBondContact NH1-OE1 2.96Å; R90-D163 IonicContact CZ-OD2 2.74Å; R90-D163 IonicContact NH1-OD2 3.85Å; R90-D163 PolarHBondContact NH1-OD2 3.3Å; R90-D163 IonicContact NH2-OD2 2.86Å; R90-E169 IonicContact NH2-OE2 2.68Å; R90-E169 PolarHBondContact NH2-OE2 3.02Å
91E95.3Very high93.2Very high0 Ų071.6 Ų71.60%034%0.342CS..Hα-helixtrans-58.5-35.3176.2-164.4-163.1-166.900112.4H88 R93 C94 L95 R108 R112 F115 Y157H88-E91 IonicContact ND1-OE2 2.7Å; H88-E91 CarbonylContact O-C 3.53Å; H88-E91 PolarHBondContact O-N 3.34Å; H88-E91 VanDerWaalsContact O-N 3.11Å; E91-R93 VanDerWaalsContact C-N 3.26Å; E91-R93 PolarHBondContact O-N 2.95Å; E91-C94 WeakPolarHBondContact O-CB 3.44Å; E91-C94 PolarHBondContact O-N 3.48Å; E91-C94 VanDerWaalsContact O-N 3.13Å; E91-L95 HydrophobicContact CG-CD1 3.88Å; E91-L95 HydrophobicContact CG-CG 4.13Å; E91-L95 WeakPolarHBondContact O-CG 3.33Å; E91-L95 PolarHBondContact O-N 3.32Å; E91-R108 IonicContact OE1-CZ 3.84Å; E91-R108 IonicContact OE1-NE 3.14Å; E91-R108 PolarHBondContact OE1-NE 3.03Å; E91-R108 IonicContact OE1-NH2 3.59Å; E91-R108 PolarHBondContact OE1-NH2 3.11Å; E91-R112 IonicContact OE1-NE 3.68Å; E91-R112 IonicContact OE2-CZ 2.71Å; E91-R112 IonicContact OE2-NE 3.29Å; E91-R112 PolarHBondContact OE2-NE 2.96Å; E91-R112 IonicContact OE2-NH2 3.98Å; E91-R112 PolarHBondContact OE2-NH2 3.33Å; E91-F115 HydrophobicContact CB-CE2 4.29Å; E91-Y157 HydrophobicContact CG-CE1 4.47Å; E91-Y157 WeakPolarHBondContact CG-OH 3.31Å; E91-Y157 PolarHBondContact OE1-OH 2.97Å; E91-Y157 VanDerWaalsContact OE1-OH 3.12Å
92C96.3Very high92.8Very high0 Ų072.4 Ų72.40%035%0.348CS..Hα-helixtrans-56.6-39.8177.6-175.10000112.1C70 W85 H88 K89 R90 R96C70-C92 HydrophobicContact CB-CB 4.5Å; C70-C92 WeakPolarHBondContact CB-O 3.28Å; W85-C92 HydrophobicContact CZ3-CB 4.32Å; H88-C92 WeakPolarHBondContact NE2-CB 3.4Å; H88-C92 VanDerWaalsContact O-CB 3.31Å; H88-C92 WeakPolarHBondContact O-CB 3.08Å; H88-C92 PolarHBondContact O-N 3.41Å; K89-C92 WeakPolarHBondContact O-CB 3.39Å; R90-C92 PolarHBondContact O-N 2.97Å; C92-R96 WeakPolarHBondContact O-CB 3.48Å; C92-R96 PolarHBondContact O-N 3.29Å; C92-R96 VanDerWaalsContact O-N 3.08Å
93R94.9Very high92.6Very high65 Ų6564.8 Ų64.825%0.24532%0.316CS..Hα-helixtrans-67.1-43.1177.7-66.6166.2175.6-177.4-8.9110.8R90 E91 E161R90-R93 WeakPolarHBondContact O-CB 3.14Å; R90-R93 PolarHBondContact O-N 3.45Å; R90-R93 VanDerWaalsContact O-N 3.1Å; E91-R93 VanDerWaalsContact C-N 3.26Å; E91-R93 PolarHBondContact O-N 2.95Å; R93-E161 HydrophobicContact CB-CG 4.46Å; R93-E161 WeakPolarHBondContact CD-OE1 3.44Å; R93-E161 IonicContact CZ-OE1 3.67Å; R93-E161 IonicContact NE-OE1 2.83Å; R93-E161 IonicContact NH1-OE1 3.56Å; R93-E161 PolarHBondContact NH1-OE1 3.47Å; R93-E161 IonicContact NH1-OE2 3.54Å
94C94.6Very high92.6Very high0 Ų061.6 Ų61.60%031%0.305CS..Hα-helixtrans-62-51.5176.5-55.60000111.8R90 E91 R96 R97 Y157 Q160R90-C94 PolarHBondContact O-N 3.49Å; E91-C94 WeakPolarHBondContact O-CB 3.44Å; E91-C94 PolarHBondContact O-N 3.48Å; E91-C94 VanDerWaalsContact O-N 3.13Å; C94-R96 VanDerWaalsContact C-N 3.34Å; C94-R96 PolarHBondContact O-N 2.75Å; C94-R97 PolarHBondContact O-N 3.23Å; C94-Y157 HydrophobicContact CB-CD2 3.73Å; C94-Y157 HydrophobicContact CB-CE2 3.36Å; C94-Y157 PolarHBondContact SG-O 3.03Å; C94-Y157 VanDerWaalsContact SG-O 3.39Å; C94-Q160 HydrophobicContact CB-CB 4.02Å
95L94.6Very high92.6Very high0 Ų062.8 Ų62.80%031%0.31CS..Hα-helixtrans-61.8-38.5-178.1-72.5170.9000113C70 M72 E91 R97 L98 L99 L102 Y157C70-L95 HydrophobicContact CB-CB 3.84Å; M72-L95 HydrophobicContact CB-CD1 4.46Å; M72-L95 HydrophobicContact CE-CD1 3.51Å; M72-L95 HydrophobicContact CE-CD2 3.61Å; M72-L95 HydrophobicContact CE-CG 4.21Å; M72-L95 HydrophobicContact SD-CD1 4.1Å; E91-L95 HydrophobicContact CG-CD1 3.88Å; E91-L95 HydrophobicContact CG-CG 4.13Å; E91-L95 WeakPolarHBondContact O-CG 3.33Å; E91-L95 PolarHBondContact O-N 3.32Å; L95-R97 PolarHBondContact O-N 3.2Å; L95-L98 PolarHBondContact O-N 3.39Å; L95-L99 PolarHBondContact O-N 3.46Å; L95-L102 HydrophobicContact CD2-CD2 3.73Å; L95-Y157 HydrophobicContact CD2-CE2 4.17Å; L95-Y157 VanDerWaalsContact CD2-OH 3.25Å; L95-Y157 WeakPolarHBondContact CD2-OH 3.44Å; L95-Y157 HydrophobicContact CG-CE2 4.42Å; L95-Y157 VanDerWaalsContact CG-OH 3.31Å; L95-Y157 WeakPolarHBondContact CG-OH 3.4Å
96R94Very high92.6Very high109 Ų10959.4 Ų59.441%0.41130%0.301SS..Hα-helixtrans-55.4-33.9179.4-18017768.2173-0.7112.6C70 C92 C94 E162C70-R96 HydrophobicContact CB-CB 4.46Å; C92-R96 WeakPolarHBondContact O-CB 3.48Å; C92-R96 PolarHBondContact O-N 3.29Å; C92-R96 VanDerWaalsContact O-N 3.08Å; C94-R96 VanDerWaalsContact C-N 3.34Å; C94-R96 PolarHBondContact O-N 2.75Å; R96-E162 IonicContact CZ-OE1 2.71Å; R96-E162 IonicContact NH2-OE1 3.58Å; R96-E162 PolarHBondContact NH2-OE1 3.13Å; R96-E162 IonicContact NH2-OE2 3.9Å
97R88.9Confident92.9Very high121 Ų12154.1 Ų54.146%0.45726%0.264SS..Hα-helixtrans-87.3-23.8-176.9-68-179.7176.3-176.2-4.8113.8C94 L95 Q160 E162C94-R97 PolarHBondContact O-N 3.23Å; L95-R97 PolarHBondContact O-N 3.2Å; R97-Q160 WeakPolarHBondContact CD-O 3.1Å; R97-Q160 PolarHBondContact NH1-O 3.28Å; R97-Q160 VanDerWaalsContact NH1-O 3.16Å; R97-E162 IonicContact CZ-OE1 2.64Å; R97-E162 IonicContact NE-OE1 3.65Å; R97-E162 IonicContact NH2-OE1 2.63Å; R97-E162 PolarHBondContact NH2-OE1 2.86Å
98L87.8Confident93.2Very high46 Ų4652.1 Ų52.124%0.24124%0.242CC..Hα-helixtrans-98.3-20.6-171.9-68.4178.4000114.2L95 R101 P103 Y157 Q160L95-L98 PolarHBondContact O-N 3.39Å; L98-R101 WeakPolarHBondContact CB-O 3.36Å; L98-R101 WeakPolarHBondContact O-CA 3.48Å; L98-R101 WeakPolarHBondContact O-CB 3.1Å; L98-R101 PolarHBondContact O-N 3.3Å; L98-P103 HydrophobicContact CD1-CG 4.4Å; L98-Y157 HydrophobicContact CD1-CD2 3.4Å; L98-Y157 HydrophobicContact CD1-CE2 3.9Å; L98-Y157 HydrophobicContact CD1-CG 4.45Å; L98-Q160 HydrophobicContact CD1-CG 3.97Å; L98-Q160 HydrophobicContact CD2-CG 4.03Å; L98-Q160 HydrophobicContact CG-CG 3.91Å
99L86.2Confident93.3Very high65 Ų6552 Ų5234%0.3424%0.242SC..THydrogen-bonded Turntrans-53.4136.4178.4-85.5-174.5000112.1C70 K71 M72 L95 L102C70-L99 WeakPolarHBondContact O-CD1 3.37Å; K71-L99 HydrophobicContact CB-CD1 3.97Å; M72-L99 HydrophobicContact CB-CD1 4.29Å; M72-L99 HydrophobicContact CB-CD2 4.32Å; L95-L99 PolarHBondContact O-N 3.46Å; L99-L102 HydrophobicContact CD2-CD2 3.67Å; L99-L102 HydrophobicContact CD2-CG 4.1Å
100P86.1Confident93.4Very high121 Ų12147.6 Ų47.679%0.78622%0.223SC*.THydrogen-bonded Turncis-86.32.37.534.8-36.6000115.5L102P100-L102 PolarHBondContact O-N 3.45Å
101R88.9Confident93.5Very high211 Ų21145 Ų4580%0.79621%0.213SC*.  trans-79.798.7-177.6-59.2-179.8179.6173.9-0.3110.5L98L98-R101 WeakPolarHBondContact CB-O 3.36Å; L98-R101 WeakPolarHBondContact O-CA 3.48Å; L98-R101 WeakPolarHBondContact O-CB 3.1Å; L98-R101 PolarHBondContact O-N 3.3Å
102L89Confident93.6Very high74 Ų7446.3 Ų46.339%0.38722%0.218SC..PPolyproline II helixtrans-90.2134.5177.7-65.9176.2000111M72 L95 L99 P100M72-L102 HydrophobicContact CE-CD2 4.07Å; M72-L102 HydrophobicContact CG-CD1 4.18Å; M72-L102 HydrophobicContact CG-CD2 3.96Å; L95-L102 HydrophobicContact CD2-CD2 3.73Å; L99-L102 HydrophobicContact CD2-CD2 3.67Å; L99-L102 HydrophobicContact CD2-CG 4.1Å; P100-L102 PolarHBondContact O-N 3.45Å
103P93.6Very high93.6Very high14 Ų1446.3 Ų46.39%0.09122%0.218CC..PPolyproline II helixtrans-63.6163.5167.4-16.129000111.4L98 V107 R108 M153 Y157L98-P103 HydrophobicContact CD1-CG 4.4Å; P103-V107 HydrophobicContact CB-CB 3.91Å; P103-V107 HydrophobicContact CB-CG1 3.63Å; P103-V107 HydrophobicContact CG-CG1 4.44Å; P103-R108 HydrophobicContact CB-CG 4.2Å; P103-R108 HydrophobicContact CG-CG 4.46Å; P103-M153 HydrophobicContact CB-CG 4.38Å; P103-M153 HydrophobicContact CB-SD 3.88Å; P103-Y157 HydrophobicContact CG-CD1 4.11Å; P103-Y157 HydrophobicContact CG-CD2 3.73Å; P103-Y157 HydrophobicContact CG-CE1 4.26Å; P103-Y157 HydrophobicContact CG-CE2 3.86Å; P103-Y157 HydrophobicContact CG-CG 3.82Å
104T95.3Very high93.6Very high57 Ų5744.3 Ų44.335%0.3521%0.212SC..PPolyproline II helixtrans-62.4158.217363.30000111.5S106 V107 R108 L150T104-S106 PolarHBondContact O-N 3.48Å; T104-S106 PolarHBondContact OG1-OG 3.48Å; T104-V107 PolarHBondContact O-N 3.19Å; T104-V107 VanDerWaalsContact O-N 3.11Å; T104-V107 WeakPolarHBondContact OG1-CG2 3.13Å; T104-V107 PolarHBondContact OG1-N 3.18Å; T104-R108 PolarHBondContact O-N 3.47Å; T104-L150 HydrophobicContact CG2-CD2 4.06Å
105D96.3Very high93.7Very high38 Ų3845.2 Ų45.220%0.20322%0.216CC..Hα-helixtrans-58.5-37178.1-66.4-21.8000111.7C44 S46 G47 R108 L109 V205C44-D105 PolarHBondContact SG-O 3.41Å; S46-D105 VanDerWaalsContact CA-OD2 3.22Å; S46-D105 WeakPolarHBondContact CA-OD2 3.33Å; S46-D105 VanDerWaalsContact CB-OD2 3.32Å; S46-D105 WeakPolarHBondContact CB-OD2 3.18Å; S46-D105 PolarHBondContact OG-OD2 2.83Å; G47-D105 PolarHBondContact N-OD1 3.38Å; G47-D105 PolarHBondContact N-OD2 3.37Å; D105-R108 PolarHBondContact O-N 3.27Å; D105-R108 IonicContact OD1-NH1 2.81Å; D105-L109 VanDerWaalsContact O-CB 3.3Å; D105-L109 WeakPolarHBondContact O-CB 3.22Å; D105-L109 PolarHBondContact O-N 3.35Å; D105-V205 HydrophobicContact CB-CG2 4Å
106S96Very high93.6Very high24 Ų2446.6 Ų46.617%0.16823%0.227CC..Hα-helixtrans-63-41.1174.7550000113.4T104 L109 A110T104-S106 PolarHBondContact O-N 3.48Å; T104-S106 PolarHBondContact OG1-OG 3.48Å; S106-L109 PolarHBondContact O-N 2.75Å; S106-A110 WeakPolarHBondContact O-CB 3.12Å; S106-A110 PolarHBondContact O-N 2.84Å
107V97.3Very high93.6Very high0 Ų042.6 Ų42.60%021%0.214CC..Hα-helixtrans-68.2-41.3176.6169.60000110.8P103 T104 A110 A111 L150 M153 L154 Y157 I185P103-V107 HydrophobicContact CB-CB 3.91Å; P103-V107 HydrophobicContact CB-CG1 3.63Å; P103-V107 HydrophobicContact CG-CG1 4.44Å; T104-V107 PolarHBondContact O-N 3.19Å; T104-V107 VanDerWaalsContact O-N 3.11Å; T104-V107 WeakPolarHBondContact OG1-CG2 3.13Å; T104-V107 PolarHBondContact OG1-N 3.18Å; V107-A110 PolarHBondContact O-N 2.94Å; V107-A111 WeakPolarHBondContact O-CB 3.38Å; V107-A111 PolarHBondContact O-N 2.94Å; V107-L150 HydrophobicContact CG2-CB 4.17Å; V107-L150 HydrophobicContact CG2-CD2 4.07Å; V107-M153 HydrophobicContact CG1-CG 4.26Å; V107-M153 HydrophobicContact CG2-CB 4.29Å; V107-M153 HydrophobicContact CG2-CG 4.36Å; V107-M153 HydrophobicContact CG2-SD 4.09Å; V107-L154 HydrophobicContact CG1-CB 4.09Å; V107-L154 HydrophobicContact CG1-CD1 4.24Å; V107-Y157 HydrophobicContact CG1-CD1 4.02Å; V107-I185 HydrophobicContact CG2-CD1 4.29Å
108R97.4Very high93.7Very high1 Ų138.3 Ų38.30%0.00420%0.199CC..Hα-helixtrans-64.3-42.7176-70.5-179.957.7-139.7-5.8112V45 M72 E91 P103 T104 D105 A111 R112 Y157V45-R108 PolarHBondContact O-NH1 2.93Å; M72-R108 VanDerWaalsContact CE-NH2 3.27Å; E91-R108 IonicContact OE1-CZ 3.84Å; E91-R108 IonicContact OE1-NE 3.14Å; E91-R108 PolarHBondContact OE1-NE 3.03Å; E91-R108 IonicContact OE1-NH2 3.59Å; E91-R108 PolarHBondContact OE1-NH2 3.11Å; P103-R108 HydrophobicContact CB-CG 4.2Å; P103-R108 HydrophobicContact CG-CG 4.46Å; T104-R108 PolarHBondContact O-N 3.47Å; D105-R108 PolarHBondContact O-N 3.27Å; D105-R108 IonicContact OD1-NH1 2.81Å; R108-A111 PolarHBondContact O-N 2.82Å; R108-R112 WeakPolarHBondContact O-CG 3.33Å; R108-R112 PolarHBondContact O-N 3.34Å; R108-Y157 HydrophobicContact CG-CE1 4.09Å
109L97.8Very high93.8Very high0 Ų042.9 Ų42.90%022%0.224CC..Hα-helixtrans-60.9-48.4175.2179.157.5000111.1A42 D105 S106 A111 R112 I113 V188 C192 V205A42-L109 HydrophobicContact CB-CD1 4.12Å; A42-L109 WeakPolarHBondContact O-CD1 3.37Å; D105-L109 VanDerWaalsContact O-CB 3.3Å; D105-L109 WeakPolarHBondContact O-CB 3.22Å; D105-L109 PolarHBondContact O-N 3.35Å; S106-L109 PolarHBondContact O-N 2.75Å; L109-A111 VanDerWaalsContact C-N 3.35Å; L109-A111 PolarHBondContact O-N 3.2Å; L109-R112 PolarHBondContact O-N 2.98Å; L109-R112 VanDerWaalsContact O-N 3.14Å; L109-I113 HydrophobicContact CD1-CD1 4.39Å; L109-I113 HydrophobicContact CD1-CG1 4.47Å; L109-I113 HydrophobicContact CG-CD1 4.18Å; L109-I113 WeakPolarHBondContact O-CG1 3.25Å; L109-I113 PolarHBondContact O-N 2.89Å; L109-V188 HydrophobicContact CB-CG1 4.37Å; L109-V188 HydrophobicContact CD2-CG1 3.75Å; L109-V188 HydrophobicContact CG-CG1 4.03Å; L109-C192 HydrophobicContact CD2-CB 3.68Å; L109-V205 HydrophobicContact CB-CG2 4.23Å; L109-V205 HydrophobicContact CD2-CB 4.23Å; L109-V205 HydrophobicContact CD2-CG2 3.93Å
110A97.6Very high93.6Very high0 Ų043.7 Ų43.70%023%0.233CC..Hα-helixtrans-59.3-42.9177.600000112.5S106 V107 R112 I113 M114 L154 L184 I185 V188S106-A110 WeakPolarHBondContact O-CB 3.12Å; S106-A110 PolarHBondContact O-N 2.84Å; V107-A110 PolarHBondContact O-N 2.94Å; A110-R112 PolarHBondContact O-N 2.82Å; A110-I113 WeakPolarHBondContact O-CB 3.25Å; A110-I113 PolarHBondContact O-N 3.12Å; A110-M114 WeakPolarHBondContact O-CG 3.25Å; A110-M114 PolarHBondContact O-N 2.77Å; A110-L154 HydrophobicContact CB-CD1 4Å; A110-L154 HydrophobicContact CB-CD2 3.79Å; A110-L184 HydrophobicContact CB-CD2 4.43Å; A110-L184 HydrophobicContact CB-CG 4.47Å; A110-I185 HydrophobicContact CB-CD1 3.75Å; A110-V188 HydrophobicContact CB-CG2 4.21Å
111A96.8Very high93.2Very high0 Ų041 Ų410%022%0.216CC..Hα-helixtrans-62.8-41.3174.900000112.2V107 R108 L109 I113 M114 F115 L154 Y157 V158V107-A111 WeakPolarHBondContact O-CB 3.38Å; V107-A111 PolarHBondContact O-N 2.94Å; R108-A111 PolarHBondContact O-N 2.82Å; L109-A111 VanDerWaalsContact C-N 3.35Å; L109-A111 PolarHBondContact O-N 3.2Å; A111-I113 VanDerWaalsContact C-N 3.35Å; A111-I113 PolarHBondContact O-N 3.25Å; A111-M114 WeakPolarHBondContact O-CB 3.48Å; A111-M114 PolarHBondContact O-N 3.39Å; A111-F115 HydrophobicContact CB-CE2 4.29Å; A111-F115 VanDerWaalsContact O-CD2 3.22Å; A111-F115 WeakPolarHBondContact O-CD2 3.35Å; A111-F115 VanDerWaalsContact O-CG 3.24Å; A111-F115 WeakPolarHBondContact O-CG 3.34Å; A111-F115 PolarHBondContact O-N 2.93Å; A111-L154 HydrophobicContact CB-CD1 3.82Å; A111-Y157 HydrophobicContact CB-CD1 3.66Å; A111-Y157 HydrophobicContact CB-CE1 3.67Å; A111-V158 HydrophobicContact CB-CG2 4.02Å
112R96.6Very high92.3Very high27 Ų2741.3 Ų41.310%0.10222%0.223CC..Hα-helixtrans-65.2-36.2175.6-73.9-178169.2-135.4-8.2112.5A42 S43 E91 R108 L109 A110 F115 A116A42-R112 HydrophobicContact CB-CB 3.89Å; S43-R112 WeakPolarHBondContact O-CD 3.27Å; S43-R112 PolarHBondContact O-NE 3.05Å; S43-R112 PolarHBondContact O-NH1 3.46Å; E91-R112 IonicContact OE1-NE 3.68Å; E91-R112 IonicContact OE2-CZ 2.71Å; E91-R112 IonicContact OE2-NE 3.29Å; E91-R112 PolarHBondContact OE2-NE 2.96Å; E91-R112 IonicContact OE2-NH2 3.98Å; E91-R112 PolarHBondContact OE2-NH2 3.33Å; R108-R112 WeakPolarHBondContact O-CG 3.33Å; R108-R112 PolarHBondContact O-N 3.34Å; L109-R112 PolarHBondContact O-N 2.98Å; L109-R112 VanDerWaalsContact O-N 3.14Å; A110-R112 PolarHBondContact O-N 2.82Å; R112-F115 PolarHBondContact O-N 2.87Å; R112-A116 VanDerWaalsContact O-CB 3.32Å; R112-A116 WeakPolarHBondContact O-CB 3.4Å; R112-A116 PolarHBondContact O-N 2.87Å
113I96.1Very high91.4Very high0 Ų041.4 Ų41.40%023%0.227CC..Hα-helixtrans-60.9-47.8171.8-68166.4000110.2L41 A42 L109 A110 A111 F115 A116 L117 L129 V188 L207L41-I113 HydrophobicContact CD2-CG2 3.97Å; A42-I113 HydrophobicContact CB-CG1 3.71Å; L109-I113 HydrophobicContact CD1-CD1 4.39Å; L109-I113 HydrophobicContact CD1-CG1 4.47Å; L109-I113 HydrophobicContact CG-CD1 4.18Å; L109-I113 WeakPolarHBondContact O-CG1 3.25Å; L109-I113 PolarHBondContact O-N 2.89Å; A110-I113 WeakPolarHBondContact O-CB 3.25Å; A110-I113 PolarHBondContact O-N 3.12Å; A111-I113 VanDerWaalsContact C-N 3.35Å; A111-I113 PolarHBondContact O-N 3.25Å; I113-F115 VanDerWaalsContact C-N 3.26Å; I113-F115 PolarHBondContact O-N 3.01Å; I113-A116 PolarHBondContact O-N 3.27Å; I113-L117 HydrophobicContact CG2-CD1 4.01Å; I113-L117 HydrophobicContact CG2-CG 4.43Å; I113-L117 WeakPolarHBondContact O-CG 3.47Å; I113-L117 PolarHBondContact O-N 3.24Å; I113-L129 HydrophobicContact CG2-CD2 3.63Å; I113-V188 HydrophobicContact CD1-CG2 3.59Å; I113-L207 HydrophobicContact CD1-CB 4.13Å; I113-L207 HydrophobicContact CD1-CD2 3.64Å
114M95.8Very high90.4Very high23 Ų2345.9 Ų45.911%0.11325%0.25CS..Hα-helixtrans-55.7-41.7176.6-69.2167.576.400111.7A110 A111 L154 V158 V170 L174 L184A110-M114 WeakPolarHBondContact O-CG 3.25Å; A110-M114 PolarHBondContact O-N 2.77Å; A111-M114 WeakPolarHBondContact O-CB 3.48Å; A111-M114 PolarHBondContact O-N 3.39Å; M114-L154 HydrophobicContact SD-CD1 3.96Å; M114-L154 HydrophobicContact SD-CD2 4Å; M114-L154 HydrophobicContact SD-CG 4.16Å; M114-V158 HydrophobicContact CE-CG1 4.26Å; M114-V158 HydrophobicContact CE-CG2 3.99Å; M114-V158 HydrophobicContact SD-CG2 3.98Å; M114-V170 HydrophobicContact CB-CG1 3.77Å; M114-V170 HydrophobicContact CE-CG1 3.45Å; M114-V170 VanDerWaalsContact CE-CG1 3.45Å; M114-V170 HydrophobicContact CG-CG1 4Å; M114-L174 HydrophobicContact CE-CD1 4.44Å; M114-L174 HydrophobicContact CG-CD1 4.25Å; M114-L174 HydrophobicContact CG-CD2 4.38Å; M114-L184 HydrophobicContact CG-CD2 3.71Å; M114-L184 HydrophobicContact SD-CD2 3.91Å
115F95.2Very high89.8Confident19 Ų1946.4 Ų46.48%0.08325%0.249CC..Hα-helixtrans-73.9-37.5177.9-57-29.8000113.5R90 E91 A111 R112 I113 L117 L118 V158 L166R90-F115 HydrophobicContact CB-CD1 4.2Å; R90-F115 HydrophobicContact CB-CD2 3.77Å; R90-F115 HydrophobicContact CB-CE1 4.35Å; R90-F115 HydrophobicContact CB-CE2 3.91Å; R90-F115 HydrophobicContact CB-CG 3.93Å; R90-F115 HydrophobicContact CB-CZ 4.2Å; E91-F115 HydrophobicContact CB-CE2 4.29Å; A111-F115 HydrophobicContact CB-CE2 4.29Å; A111-F115 VanDerWaalsContact O-CD2 3.22Å; A111-F115 WeakPolarHBondContact O-CD2 3.35Å; A111-F115 VanDerWaalsContact O-CG 3.24Å; A111-F115 WeakPolarHBondContact O-CG 3.34Å; A111-F115 PolarHBondContact O-N 2.93Å; R112-F115 PolarHBondContact O-N 2.87Å; I113-F115 VanDerWaalsContact C-N 3.26Å; I113-F115 PolarHBondContact O-N 3.01Å; F115-L117 VanDerWaalsContact C-N 3.3Å; F115-L117 PolarHBondContact O-N 3.15Å; F115-L118 WeakPolarHBondContact O-CB 3.43Å; F115-L118 PolarHBondContact O-N 3.42Å; F115-V158 HydrophobicContact CE1-CG1 4.22Å; F115-V158 HydrophobicContact CZ-CG2 4.41Å; F115-L166 HydrophobicContact CD1-CD1 4.37Å; F115-L166 HydrophobicContact CE1-CD1 4.3Å; F115-L166 HydrophobicContact CE1-CD2 3.98Å
116A93.9Very high89.4Confident28 Ų2846.3 Ų46.323%0.23125%0.248CC..Hα-helixtrans-62.8-38.2177.300000111.5R112 I113 L118 N119R112-A116 VanDerWaalsContact O-CB 3.32Å; R112-A116 WeakPolarHBondContact O-CB 3.4Å; R112-A116 PolarHBondContact O-N 2.87Å; I113-A116 PolarHBondContact O-N 3.27Å; A116-L118 PolarHBondContact O-N 3.47Å; A116-N119 CarbonylContact O-C 3.46Å; A116-N119 PolarHBondContact O-N 3.17Å; A116-N119 VanDerWaalsContact O-N 3.12Å; A116-N119 VanDerWaalsContact O-O 3.06Å
117L92.8Very high89.1Confident26 Ų2645.9 Ų45.914%0.13624%0.243CC..THydrogen-bonded Turntrans-70-14.7179.5-68.6174.4000114.4L41 I113 F115 N119 P120 L129 A173 L174L41-L117 HydrophobicContact CD1-CD2 4.25Å; I113-L117 HydrophobicContact CG2-CD1 4.01Å; I113-L117 HydrophobicContact CG2-CG 4.43Å; I113-L117 WeakPolarHBondContact O-CG 3.47Å; I113-L117 PolarHBondContact O-N 3.24Å; F115-L117 VanDerWaalsContact C-N 3.3Å; F115-L117 PolarHBondContact O-N 3.15Å; L117-N119 PolarHBondContact O-N 3.28Å; L117-P120 WeakPolarHBondContact O-CD 3.15Å; L117-L129 HydrophobicContact CD1-CD2 3.71Å; L117-A173 HydrophobicContact CB-CB 4.42Å; L117-L174 HydrophobicContact CD1-CD2 3.65Å
118L92.1Very high88.8Confident30 Ų3049.1 Ų49.116%0.15726%0.262CS..THydrogen-bonded Turntrans-65.1-27.4170.7-62.7177.2000112.2F115 A116 L166 E169 V170 A173F115-L118 WeakPolarHBondContact O-CB 3.43Å; F115-L118 PolarHBondContact O-N 3.42Å; A116-L118 PolarHBondContact O-N 3.47Å; L118-L166 HydrophobicContact CD1-CD1 3.79Å; L118-E169 HydrophobicContact CD2-CB 3.75Å; L118-V170 HydrophobicContact CD1-CG2 4.21Å; L118-V170 HydrophobicContact CD2-CB 4.5Å; L118-V170 HydrophobicContact CD2-CG2 3.86Å; L118-V170 HydrophobicContact CG-CG2 4.24Å; L118-A173 HydrophobicContact CD2-CB 4.02Å
119N88.6Confident88.5Confident142 Ų14249.4 Ų49.476%0.75926%0.264SS*.SBendtrans-13874.9174.1-67.1-78.3000107.9A116 L117A116-N119 CarbonylContact O-C 3.46Å; A116-N119 PolarHBondContact O-N 3.17Å; A116-N119 VanDerWaalsContact O-N 3.12Å; A116-N119 VanDerWaalsContact O-O 3.06Å; L117-N119 PolarHBondContact O-N 3.28Å
120P82.5Confident88.3Confident82 Ų8253.3 Ų53.353%0.53228%0.282SS..  trans-62.7140.2-167.826.3-33000110.3L117 K122L117-P120 WeakPolarHBondContact O-CD 3.15Å; P120-K122 PolarHBondContact O-N 2.96Å
121P77.6Confident88Confident65 Ų6556.7 Ų56.742%0.42230%0.298SS..  trans-60.8141.1174.726.2-32.7000109.6L41 T123L41-P121 HydrophobicContact CD1-CG 4.23Å; P121-T123 HydrophobicContact CB-CG2 4.28Å; P121-T123 PolarHBondContact O-N 3.22Å
122K69.6Low87.8Confident218 Ų21857 Ų5795%0.94830%0.299SS*.  trans-80.373.3174.1-65.9-176.4-179.8-178.20109.2P120P120-K122 PolarHBondContact O-N 2.96Å
123T69.9Low87.5Confident75 Ų7560.3 Ų60.346%0.4632%0.316SS..  trans-115.1138.8176.5540000111P121 E125P121-T123 HydrophobicContact CB-CG2 4.28Å; P121-T123 PolarHBondContact O-N 3.22Å; T123-E125 VanDerWaalsContact C-N 3.29Å; T123-E125 VanDerWaalsContact CB-OE1 3.27Å; T123-E125 WeakPolarHBondContact CB-OE1 3.23Å; T123-E125 PolarHBondContact O-N 3.42Å; T123-E125 VanDerWaalsContact O-N 3.11Å; T123-E125 WeakPolarHBondContact OG1-CG 3.39Å; T123-E125 PolarHBondContact OG1-OE1 2.82Å
124N73.4Confident87.3Confident109 Ų10961.2 Ų61.258%0.58332%0.323SS*.  trans-82.878.9170.9-76.3-10.8000108.5L8L8-N124 HydrophobicContact CD1-CB 4.05Å
125E83.8Confident87Confident68 Ų6862.3 Ų62.332%0.31833%0.327SS..  trans-72.6144.6177-61.4-63.1147.600111.7T123 Y127 S210T123-E125 VanDerWaalsContact C-N 3.29Å; T123-E125 VanDerWaalsContact CB-OE1 3.27Å; T123-E125 WeakPolarHBondContact CB-OE1 3.23Å; T123-E125 PolarHBondContact O-N 3.42Å; T123-E125 VanDerWaalsContact O-N 3.11Å; T123-E125 WeakPolarHBondContact OG1-CG 3.39Å; T123-E125 PolarHBondContact OG1-OE1 2.82Å; E125-Y127 VanDerWaalsContact C-N 3.3Å; E125-Y127 WeakPolarHBondContact CB-O 3.35Å; E125-S210 WeakPolarHBondContact CA-OG 3.3Å; E125-S210 WeakPolarHBondContact OE2-CB 3.47Å; E125-S210 PolarHBondContact OE2-N 2.96Å; E125-S210 PolarHBondContact OE2-OG 3.47Å
126L87.1Confident86.8Confident36 Ų3662.7 Ų62.719%0.18833%0.33CS..SBendtrans-79.7-15.7169.4-74173.8000112.9M7 L8 V11 L23 S210 L213M7-L126 HydrophobicContact CE-CD1 4.24Å; L8-L126 HydrophobicContact CD2-CD1 4.1Å; L8-L126 HydrophobicContact CD2-CD2 3.21Å; L8-L126 HydrophobicContact CD2-CG 3.54Å; V11-L126 HydrophobicContact CG2-CD1 4.21Å; L23-L126 HydrophobicContact CD1-CD1 3.84Å; L126-S210 PolarHBondContact N-OG 3.28Å; L126-L213 HydrophobicContact CB-CD1 3.98Å
127Y89.5Confident86.5Confident15 Ų1569.4 Ų69.46%0.05936%0.362CS..SBendtrans-149.3135.8-175.3-150.5-128.1000110.2N21 E125 E131 H132 P209 L213N21-Y127 PolarHBondContact ND2-OH 2.9Å; E125-Y127 VanDerWaalsContact C-N 3.3Å; E125-Y127 WeakPolarHBondContact CB-O 3.35Å; Y127-E131 HydrophobicContact CD2-CB 3.91Å; Y127-E131 HydrophobicContact CE1-CB 4.11Å; Y127-E131 HydrophobicContact CE2-CB 3.46Å; Y127-E131 VanDerWaalsContact CE2-CB 3.46Å; Y127-E131 HydrophobicContact CE2-CG 4.4Å; Y127-E131 HydrophobicContact CG-CB 4.42Å; Y127-E131 PolarHBondContact OH-O 3.4Å; Y127-H132 AromaticContact CD1-CE1 3.54Å; Y127-H132 AromaticContact CD1-ND1 3.68Å; Y127-H132 AromaticContact CE1-ND1 3.85Å; Y127-P209 WeakPolarHBondContact CB-O 3.17Å; Y127-P209 WeakPolarHBondContact O-CB 3.5Å; Y127-L213 HydrophobicContact CD1-CD2 4.33Å; Y127-L213 HydrophobicContact CD1-CG 4.3Å; Y127-L213 HydrophobicContact CD2-CD1 4.33Å; Y127-L213 HydrophobicContact CD2-CD2 3.63Å; Y127-L213 HydrophobicContact CD2-CG 4.06Å; Y127-L213 HydrophobicContact CE1-CD2 4.46Å; Y127-L213 HydrophobicContact CE2-CD2 3.75Å; Y127-L213 HydrophobicContact CG-CD1 4.28Å; Y127-L213 HydrophobicContact CG-CD2 3.93Å; Y127-L213 HydrophobicContact CG-CG 3.88Å
128T91.2Very high86.2Confident67 Ų6771.6 Ų71.641%0.41138%0.38SS..  trans-106.4159.8-177.564.80000111.5E130 E131 H132T128-E130 PolarHBondContact O-N 3.1Å; T128-E131 PolarHBondContact N-OE2 2.9Å; T128-E131 PolarHBondContact O-N 2.8Å; T128-E131 WeakPolarHBondContact OG1-CG 3.45Å; T128-E131 PolarHBondContact OG1-OE2 3.15Å; T128-H132 PolarHBondContact O-CE1 3.34Å; T128-H132 PolarHBondContact O-ND1 2.8Å
129L91.8Very high86.1Confident8 Ų870.9 Ų70.94%0.04238%0.376CS..G310 helixtrans-55-33.5176-176.966.6000112.9I113 L117 E131 H132 C178 L184 K187 L207I113-L129 HydrophobicContact CG2-CD2 3.63Å; L117-L129 HydrophobicContact CD1-CD2 3.71Å; L129-E131 VanDerWaalsContact C-N 3.27Å; L129-E131 PolarHBondContact O-N 3.4Å; L129-H132 WeakPolarHBondContact CA-ND1 3.41Å; L129-H132 PolarHBondContact O-N 2.91Å; L129-C178 HydrophobicContact CD2-CB 4.47Å; L129-L184 HydrophobicContact CD1-CD1 4.4Å; L129-L184 HydrophobicContact CD2-CD1 4.08Å; L129-K187 PolarHBondContact O-NZ 3.05Å; L129-L207 HydrophobicContact CD1-CD2 3.58Å
130E91.6Very high86.1Confident81 Ų8167 Ų6738%0.37936%0.359SS..G310 helixtrans-58.2-41175.8179.2122.4-113.100111.7T128 H132 P175 P176 S177 K187T128-E130 PolarHBondContact O-N 3.1Å; E130-H132 VanDerWaalsContact C-N 3.34Å; E130-H132 PolarHBondContact O-N 3.15Å; E130-P175 HydrophobicContact CB-CB 3.81Å; E130-P175 HydrophobicContact CB-CG 4.27Å; E130-P175 HydrophobicContact CG-CB 4.31Å; E130-P176 WeakPolarHBondContact OE1-CD 3.44Å; E130-S177 WeakPolarHBondContact CG-OG 3.48Å; E130-S177 PolarHBondContact O-OG 2.96Å; E130-S177 WeakPolarHBondContact OE1-CB 3.45Å; E130-S177 PolarHBondContact OE1-N 3.28Å; E130-S177 PolarHBondContact OE1-OG 2.68Å; E130-K187 PolarHBondContact O-NZ 3.04Å
131E91.6Very high86.5Confident72 Ų7269.4 Ų69.434%0.33636%0.364SS..G310 helixtrans-82-11.6-172.7-62.2170.1101.800113.4R13 Y127 T128 L129 E133R13-E131 IonicContact CZ-OE1 2.7Å; R13-E131 IonicContact NH1-OE1 2.84Å; R13-E131 PolarHBondContact NH1-OE1 2.9Å; R13-E131 IonicContact NH1-OE2 3.55Å; R13-E131 IonicContact NH2-OE1 2.99Å; R13-E131 PolarHBondContact NH2-OE1 2.86Å; Y127-E131 HydrophobicContact CD2-CB 3.91Å; Y127-E131 HydrophobicContact CE1-CB 4.11Å; Y127-E131 HydrophobicContact CE2-CB 3.46Å; Y127-E131 VanDerWaalsContact CE2-CB 3.46Å; Y127-E131 HydrophobicContact CE2-CG 4.4Å; Y127-E131 HydrophobicContact CG-CB 4.42Å; Y127-E131 PolarHBondContact OH-O 3.4Å; T128-E131 PolarHBondContact N-OE2 2.9Å; T128-E131 PolarHBondContact O-N 2.8Å; T128-E131 WeakPolarHBondContact OG1-CG 3.45Å; T128-E131 PolarHBondContact OG1-OE2 3.15Å; L129-E131 VanDerWaalsContact C-N 3.27Å; L129-E131 PolarHBondContact O-N 3.4Å; E131-E133 PolarHBondContact O-N 3.19Å
132H93.3Very high87.1Confident6 Ų674 Ų743%0.02838%0.379CS..SBendtrans-60135.9-179-74.460.3000111.7Y127 T128 L129 E130 K187 S212Y127-H132 AromaticContact CD1-CE1 3.54Å; Y127-H132 AromaticContact CD1-ND1 3.68Å; Y127-H132 AromaticContact CE1-ND1 3.85Å; T128-H132 PolarHBondContact O-CE1 3.34Å; T128-H132 PolarHBondContact O-ND1 2.8Å; L129-H132 WeakPolarHBondContact CA-ND1 3.41Å; L129-H132 PolarHBondContact O-N 2.91Å; E130-H132 VanDerWaalsContact C-N 3.34Å; E130-H132 PolarHBondContact O-N 3.15Å; H132-K187 HydrophobicContact CB-CB 4.21Å; H132-K187 HydrophobicContact CB-CD 4.17Å; H132-K187 HydrophobicContact CB-CG 4.21Å; H132-K187 VanDerWaalsContact O-CE 3.29Å; H132-K187 WeakPolarHBondContact O-CE 3.47Å; H132-S212 PolarHBondContact NE2-OG 3.34Å
133E90.6Very high88Confident97 Ų9767.2 Ų67.245%0.45335%0.35SS..  trans-69.1134.3177.9-178.154-101.900109.8E131 H135 N191E131-E133 PolarHBondContact O-N 3.19Å; E133-H135 VanDerWaalsContact CG-CD2 3.49Å; E133-H135 WeakPolarHBondContact CG-CD2 3.31Å; E133-H135 VanDerWaalsContact CG-CE1 3.47Å; E133-H135 WeakPolarHBondContact CG-CE1 3.27Å; E133-H135 VanDerWaalsContact CG-NE2 3.29Å; E133-H135 WeakPolarHBondContact CG-NE2 3.45Å; E133-H135 PolarHBondContact OE1-N 3.43Å; E133-N191 PolarHBondContact O-ND2 3.4Å
134S91.8Very high89.1Confident19 Ų1966 Ų6613%0.13334%0.338CS..  trans-107.6-18.5-18072.70000112.6L136 M139S134-L136 PolarHBondContact O-N 2.91Å; S134-L136 PolarHBondContact OG-N 3.39Å; S134-M139 WeakPolarHBondContact O-CE 3.28Å
135H89.5Confident90.1Very high45 Ų4566.8 Ų66.821%0.20834%0.338CS..  trans51.714.6-173.8-70.5-65.6000114.9E133 N137 S138 M139 Y267 H268E133-H135 VanDerWaalsContact CG-CD2 3.49Å; E133-H135 WeakPolarHBondContact CG-CD2 3.31Å; E133-H135 VanDerWaalsContact CG-CE1 3.47Å; E133-H135 WeakPolarHBondContact CG-CE1 3.27Å; E133-H135 VanDerWaalsContact CG-NE2 3.29Å; E133-H135 WeakPolarHBondContact CG-NE2 3.45Å; E133-H135 PolarHBondContact OE1-N 3.43Å; H135-N137 PolarHBondContact O-N 3.37Å; H135-N137 VanDerWaalsContact O-N 3.12Å; H135-S138 WeakPolarHBondContact CB-OG 3.39Å; H135-S138 PolarHBondContact ND1-OG 2.85Å; H135-S138 CarbonylContact O-C 3.49Å; H135-S138 PolarHBondContact O-N 3.1Å; H135-S138 PolarHBondContact O-OG 2.92Å; H135-M139 HydrophobicContact CB-CE 3.98Å; H135-M139 VanDerWaalsContact O-CG 3.26Å; H135-M139 WeakPolarHBondContact O-CG 3.46Å; H135-M139 PolarHBondContact O-N 3.39Å; H135-Y267 PolarHBondContact NE2-O 3.45Å; H135-H268 HydrophobicContact CB-CB 4.21Å; H135-H268 WeakPolarHBondContact CB-CD2 3.4Å; H135-H268 AromaticContact CD2-CD2 3.87Å; H135-H268 AromaticContact CG-CD2 3.64Å; H135-H268 AromaticContact CG-CG 3.95Å
136L90.5Very high90.5Very high28 Ų2865 Ų6515%0.14734%0.338CS..THydrogen-bonded Turntrans-57.3-34.6-177.8-78.6176.1000112.2S134 S138 M139 K144 L147 L182 A186S134-L136 PolarHBondContact O-N 2.91Å; S134-L136 PolarHBondContact OG-N 3.39Å; L136-S138 VanDerWaalsContact C-N 3.33Å; L136-S138 PolarHBondContact O-N 3.09Å; L136-M139 HydrophobicContact CD2-SD 4.06Å; L136-K144 WeakPolarHBondContact O-CE 3.46Å; L136-L147 HydrophobicContact CD2-CD1 4.3Å; L136-L182 HydrophobicContact CD2-CD1 4.36Å; L136-L182 HydrophobicContact CD2-CG 4.27Å; L136-A186 HydrophobicContact CD1-CB 4.15Å; L136-A186 HydrophobicContact CD2-CB 3.74Å; L136-A186 HydrophobicContact CG-CB 3.74Å
137N88.4Confident90.9Very high169 Ų16964.2 Ų64.290%0.90433%0.334SS*.THydrogen-bonded Turntrans-71.8-25.8179.1-65.7-26.2000113.2H135H135-N137 PolarHBondContact O-N 3.37Å; H135-N137 VanDerWaalsContact O-N 3.12Å
138S86.8Confident91.2Very high72 Ų7265.7 Ų65.750%0.50335%0.347SS..THydrogen-bonded Turntrans-99.6-9.2179.350.50000113.6H135 L136H135-S138 WeakPolarHBondContact CB-OG 3.39Å; H135-S138 PolarHBondContact ND1-OG 2.85Å; H135-S138 CarbonylContact O-C 3.49Å; H135-S138 PolarHBondContact O-N 3.1Å; H135-S138 PolarHBondContact O-OG 2.92Å; L136-S138 VanDerWaalsContact C-N 3.33Å; L136-S138 PolarHBondContact O-N 3.09Å
139M88.2Confident91.4Very high15 Ų1568.6 Ų68.67%0.07436%0.355CS..SBendtrans-74144.6-179.9-81.3173.5-171.800112.8S134 H135 L136 K144 L147 H268S134-M139 WeakPolarHBondContact O-CE 3.28Å; H135-M139 HydrophobicContact CB-CE 3.98Å; H135-M139 VanDerWaalsContact O-CG 3.26Å; H135-M139 WeakPolarHBondContact O-CG 3.46Å; H135-M139 PolarHBondContact O-N 3.39Å; L136-M139 HydrophobicContact CD2-SD 4.06Å; M139-K144 HydrophobicContact CB-CG 4.07Å; M139-K144 VanDerWaalsContact O-CE 3.3Å; M139-K144 WeakPolarHBondContact O-CE 3.42Å; M139-L147 HydrophobicContact CE-CD1 3.92Å; M139-L147 HydrophobicContact SD-CD1 3.42Å; M139-L147 WeakPolarHBondContact SD-CD1 3.49Å; M139-H268 WeakPolarHBondContact CE-NE2 3.49Å; M139-H268 WeakPolarHBondContact CG-CE1 3.49Å; M139-H268 WeakPolarHBondContact CG-NE2 3.47Å
140S89Confident91.7Very high59 Ų5970 Ų7041%0.41336%0.362SS..  trans-68154.1169.6690000111.8Q142 K143 K144S140-Q142 VanDerWaalsContact C-N 3.26Å; S140-Q142 PolarHBondContact O-N 3.44Å; S140-K143 PolarHBondContact O-N 2.77Å; S140-K143 VanDerWaalsContact O-N 3.08Å; S140-K144 PolarHBondContact O-N 2.8Å
141E90.9Very high91.9Very high134 Ų13466.5 Ų66.563%0.62635%0.348SS*.Hα-helixtrans-59.9-35.6179.6-67.2-53.6124.500112.9K143 K144 Q145E141-K143 VanDerWaalsContact C-N 3.35Å; E141-K143 PolarHBondContact O-N 2.77Å; E141-K144 PolarHBondContact O-N 3.19Å; E141-K144 WeakPolarHBondContact OE1-CD 3.38Å; E141-K144 IonicContact OE1-NZ 3.96Å; E141-K144 PolarHBondContact OE1-NZ 2.91Å; E141-Q145 WeakPolarHBondContact O-CB 3.5Å; E141-Q145 PolarHBondContact O-N 3.13Å
142Q90.6Very high92.2Very high160 Ų16066.5 Ų66.575%0.74836%0.356SS*.Hα-helixtrans-61.4-42.4175-173.8-178.51.100111.9S140 Q145 G146S140-Q142 VanDerWaalsContact C-N 3.26Å; S140-Q142 PolarHBondContact O-N 3.44Å; Q142-Q145 PolarHBondContact O-N 3.05Å; Q142-G146 PolarHBondContact O-N 3.03Å; Q142-G146 VanDerWaalsContact O-N 3.1Å
143K88.6Confident92.3Very high76 Ų7669.9 Ų69.933%0.3337%0.373SS..Hα-helixtrans-66.9-43.7176.6-73.1-178.3-179.8-179.90111.1S140 E141 Q145 G146 L147 E265S140-K143 PolarHBondContact O-N 2.77Å; S140-K143 VanDerWaalsContact O-N 3.08Å; E141-K143 VanDerWaalsContact C-N 3.35Å; E141-K143 PolarHBondContact O-N 2.77Å; K143-Q145 VanDerWaalsContact C-N 3.26Å; K143-Q145 PolarHBondContact O-N 3.44Å; K143-G146 PolarHBondContact O-N 3.22Å; K143-G146 VanDerWaalsContact O-N 3.12Å; K143-L147 WeakPolarHBondContact O-CG 3.4Å; K143-L147 PolarHBondContact O-N 3.03Å; K143-E265 PolarHBondContact NZ-O 3.22Å
144K92.6Very high92.6Very high51 Ų5165.3 Ų65.322%0.22235%0.351CS..Hα-helixtrans-59.1-37.4174.9-68.3176.8-174.3166.20112.4L136 M139 S140 E141 L147 S148L136-K144 WeakPolarHBondContact O-CE 3.46Å; M139-K144 HydrophobicContact CB-CG 4.07Å; M139-K144 VanDerWaalsContact O-CE 3.3Å; M139-K144 WeakPolarHBondContact O-CE 3.42Å; S140-K144 PolarHBondContact O-N 2.8Å; E141-K144 PolarHBondContact O-N 3.19Å; E141-K144 WeakPolarHBondContact OE1-CD 3.38Å; E141-K144 IonicContact OE1-NZ 3.96Å; E141-K144 PolarHBondContact OE1-NZ 2.91Å; K144-L147 PolarHBondContact O-N 2.9Å; K144-S148 WeakPolarHBondContact O-CB 3.46Å; K144-S148 PolarHBondContact O-N 3.22Å; K144-S148 PolarHBondContact O-OG 3.22Å
145Q93.8Very high92.7Very high125 Ų12566.2 Ų66.258%0.58436%0.36SS*.Hα-helixtrans-64.8-44.2174.8-171.517912.500111.4E141 Q142 K143 S148 Q149E141-Q145 WeakPolarHBondContact O-CB 3.5Å; E141-Q145 PolarHBondContact O-N 3.13Å; Q142-Q145 PolarHBondContact O-N 3.05Å; K143-Q145 VanDerWaalsContact C-N 3.26Å; K143-Q145 PolarHBondContact O-N 3.44Å; Q145-S148 WeakPolarHBondContact O-CB 3.13Å; Q145-S148 PolarHBondContact O-N 3.24Å; Q145-Q149 WeakPolarHBondContact O-CG 3.37Å; Q145-Q149 PolarHBondContact O-N 2.97Å; Q145-Q149 VanDerWaalsContact O-N 3.09Å
146G93.5Very high92.8Very high30 Ų3069 Ų6931%0.30938%0.375SS..Hα-helixtrans-59.7-46173.900000112.7Q142 K143 S148 Q149 L150Q142-G146 PolarHBondContact O-N 3.03Å; Q142-G146 VanDerWaalsContact O-N 3.1Å; K143-G146 PolarHBondContact O-N 3.22Å; K143-G146 VanDerWaalsContact O-N 3.12Å; G146-S148 VanDerWaalsContact C-N 3.32Å; G146-S148 PolarHBondContact O-N 3.01Å; G146-Q149 WeakPolarHBondContact O-CB 3.42Å; G146-Q149 PolarHBondContact O-N 2.71Å; G146-L150 PolarHBondContact O-N 3.28Å
147L94.8Very high93Very high19 Ų1967.7 Ų67.710%0.09937%0.369CS..Hα-helixtrans-64.4-35.7175.6-63.1177000112.1L136 M139 K143 K144 Q149 L150 A151 L182 I185 A186 T189L136-L147 HydrophobicContact CD2-CD1 4.3Å; M139-L147 HydrophobicContact CE-CD1 3.92Å; M139-L147 HydrophobicContact SD-CD1 3.42Å; M139-L147 WeakPolarHBondContact SD-CD1 3.49Å; K143-L147 WeakPolarHBondContact O-CG 3.4Å; K143-L147 PolarHBondContact O-N 3.03Å; K144-L147 PolarHBondContact O-N 2.9Å; L147-Q149 VanDerWaalsContact C-N 3.3Å; L147-Q149 PolarHBondContact O-N 2.87Å; L147-L150 HydrophobicContact CD2-CD1 4.4Å; L147-L150 PolarHBondContact O-N 2.97Å; L147-A151 WeakPolarHBondContact O-CB 3.09Å; L147-A151 PolarHBondContact O-N 2.93Å; L147-L182 HydrophobicContact CB-CD1 3.48Å; L147-L182 VanDerWaalsContact CB-CD1 3.48Å; L147-I185 HydrophobicContact CB-CG2 4.34Å; L147-I185 HydrophobicContact CD2-CG2 3.85Å; L147-A186 HydrophobicContact CD1-CB 3.98Å; L147-T189 HydrophobicContact CD2-CG2 4.07Å
148S96.1Very high93.2Very high47 Ų4760.1 Ų60.133%0.32933%0.329SS..Hα-helixtrans-62.7-35.3174.7-64.10000112.6K144 Q145 G146 A151 S152K144-S148 WeakPolarHBondContact O-CB 3.46Å; K144-S148 PolarHBondContact O-N 3.22Å; K144-S148 PolarHBondContact O-OG 3.22Å; Q145-S148 WeakPolarHBondContact O-CB 3.13Å; Q145-S148 PolarHBondContact O-N 3.24Å; G146-S148 VanDerWaalsContact C-N 3.32Å; G146-S148 PolarHBondContact O-N 3.01Å; S148-A151 PolarHBondContact O-N 3.49Å; S148-S152 WeakPolarHBondContact O-CB 3.44Å; S148-S152 PolarHBondContact O-N 2.92Å; S148-S152 PolarHBondContact O-OG 3.46Å
149Q96.5Very high93.4Very high128 Ų12862.3 Ų62.360%0.59833%0.331SS*.Hα-helixtrans-66.7-43.9173.7-67.71730.800111.2Q145 G146 L147 S152 M153Q145-Q149 WeakPolarHBondContact O-CG 3.37Å; Q145-Q149 PolarHBondContact O-N 2.97Å; Q145-Q149 VanDerWaalsContact O-N 3.09Å; G146-Q149 WeakPolarHBondContact O-CB 3.42Å; G146-Q149 PolarHBondContact O-N 2.71Å; L147-Q149 VanDerWaalsContact C-N 3.3Å; L147-Q149 PolarHBondContact O-N 2.87Å; Q149-S152 PolarHBondContact O-N 2.89Å; Q149-M153 PolarHBondContact O-N 3.42Å
150L96.8Very high93.6Very high36 Ų3664 Ų6419%0.18834%0.338CS..Hα-helixtrans-63.6-40.2175-66179.7000112T104 V107 G146 L147 S152 M153 L154 I185T104-L150 HydrophobicContact CG2-CD2 4.06Å; V107-L150 HydrophobicContact CG2-CB 4.17Å; V107-L150 HydrophobicContact CG2-CD2 4.07Å; G146-L150 PolarHBondContact O-N 3.28Å; L147-L150 HydrophobicContact CD2-CD1 4.4Å; L147-L150 PolarHBondContact O-N 2.97Å; L150-S152 VanDerWaalsContact C-N 3.35Å; L150-S152 PolarHBondContact O-N 3.37Å; L150-M153 WeakPolarHBondContact O-CB 3.44Å; L150-M153 PolarHBondContact O-N 3.21Å; L150-L154 WeakPolarHBondContact O-CB 3.09Å; L150-L154 PolarHBondContact O-N 3.35Å; L150-I185 HydrophobicContact CB-CD1 4.49Å; L150-I185 HydrophobicContact CB-CG2 3.92Å; L150-I185 HydrophobicContact CD1-CG2 4.25Å
151A97Very high93.6Very high9 Ų961.8 Ų61.87%0.07432%0.321CS..Hα-helixtrans-61.6-41.5174.900000112.1L147 S148 L154 A155 P181 L182 I185L147-A151 WeakPolarHBondContact O-CB 3.09Å; L147-A151 PolarHBondContact O-N 2.93Å; S148-A151 PolarHBondContact O-N 3.49Å; A151-L154 WeakPolarHBondContact O-CB 3.4Å; A151-L154 PolarHBondContact O-N 2.93Å; A151-A155 PolarHBondContact O-N 2.91Å; A151-P181 HydrophobicContact CB-CB 3.99Å; A151-L182 HydrophobicContact CB-CB 4.18Å; A151-I185 HydrophobicContact CB-CG1 4.42Å
152S96.4Very high93.2Very high72 Ų7259.8 Ų59.850%0.50331%0.312SS..Hα-helixtrans-64.8-41.9173.7-570000111.5S148 Q149 L150 L154 A155 L156S148-S152 WeakPolarHBondContact O-CB 3.44Å; S148-S152 PolarHBondContact O-N 2.92Å; S148-S152 PolarHBondContact O-OG 3.46Å; Q149-S152 PolarHBondContact O-N 2.89Å; L150-S152 VanDerWaalsContact C-N 3.35Å; L150-S152 PolarHBondContact O-N 3.37Å; S152-L154 VanDerWaalsContact C-N 3.33Å; S152-L154 PolarHBondContact O-N 3.23Å; S152-A155 PolarHBondContact O-N 3.12Å; S152-L156 WeakPolarHBondContact O-CG 3.25Å; S152-L156 PolarHBondContact O-N 3.1Å
153M95.9Very high93Very high77 Ų7754.4 Ų54.438%0.37929%0.289SS..Hα-helixtrans-62-40.7174.8-171.9-176.4-65.100111.7P103 V107 Q149 L150 L156 Y157P103-M153 HydrophobicContact CB-CG 4.38Å; P103-M153 HydrophobicContact CB-SD 3.88Å; V107-M153 HydrophobicContact CG1-CG 4.26Å; V107-M153 HydrophobicContact CG2-CB 4.29Å; V107-M153 HydrophobicContact CG2-CG 4.36Å; V107-M153 HydrophobicContact CG2-SD 4.09Å; Q149-M153 PolarHBondContact O-N 3.42Å; L150-M153 WeakPolarHBondContact O-CB 3.44Å; L150-M153 PolarHBondContact O-N 3.21Å; M153-L156 PolarHBondContact O-N 3.41Å; M153-Y157 VanDerWaalsContact O-CB 3.23Å; M153-Y157 WeakPolarHBondContact O-CB 3.34Å; M153-Y157 PolarHBondContact O-N 3.45Å
154L96.4Very high92.7Very high1 Ų156 Ų561%0.00531%0.309CS..Hα-helixtrans-60.3-47.8174.9174.762.5000111.6V107 A110 A111 M114 L150 A151 S152 L156 Y157 V158 P181 L184 I185V107-L154 HydrophobicContact CG1-CB 4.09Å; V107-L154 HydrophobicContact CG1-CD1 4.24Å; A110-L154 HydrophobicContact CB-CD1 4Å; A110-L154 HydrophobicContact CB-CD2 3.79Å; A111-L154 HydrophobicContact CB-CD1 3.82Å; M114-L154 HydrophobicContact SD-CD1 3.96Å; M114-L154 HydrophobicContact SD-CD2 4Å; M114-L154 HydrophobicContact SD-CG 4.16Å; L150-L154 WeakPolarHBondContact O-CB 3.09Å; L150-L154 PolarHBondContact O-N 3.35Å; A151-L154 WeakPolarHBondContact O-CB 3.4Å; A151-L154 PolarHBondContact O-N 2.93Å; S152-L154 VanDerWaalsContact C-N 3.33Å; S152-L154 PolarHBondContact O-N 3.23Å; L154-L156 PolarHBondContact O-N 3.22Å; L154-Y157 PolarHBondContact O-N 3.14Å; L154-V158 HydrophobicContact CD1-CG2 3.95Å; L154-V158 WeakPolarHBondContact O-CG2 3.41Å; L154-V158 PolarHBondContact O-N 3.04Å; L154-P181 HydrophobicContact CD2-CB 4.38Å; L154-L184 HydrophobicContact CD2-CD2 4.24Å; L154-I185 HydrophobicContact CB-CD1 4.41Å; L154-I185 HydrophobicContact CD2-CD1 4Å; L154-I185 HydrophobicContact CD2-CG1 3.92Å
155A93.6Very high92.5Very high37 Ų3757.8 Ų57.831%0.30632%0.321SS..Hα-helixtrans-58.7-48177.400000111.6A151 S152 Y157 V158 Q159A151-A155 PolarHBondContact O-N 2.91Å; S152-A155 PolarHBondContact O-N 3.12Å; A155-Y157 VanDerWaalsContact C-N 3.29Å; A155-Y157 PolarHBondContact O-N 3.35Å; A155-V158 PolarHBondContact O-N 3.04Å; A155-Q159 WeakPolarHBondContact O-CB 3.44Å; A155-Q159 WeakPolarHBondContact O-CG 3.49Å; A155-Q159 PolarHBondContact O-N 2.88Å; A155-Q159 VanDerWaalsContact O-N 3.08Å
156L92.8Very high92.2Very high103 Ų10352 Ų5254%0.53929%0.294SS..Hα-helixtrans-62.6-35.6176.8-69.5174000112.6S152 M153 L154 Q160S152-L156 WeakPolarHBondContact O-CG 3.25Å; S152-L156 PolarHBondContact O-N 3.1Å; M153-L156 PolarHBondContact O-N 3.41Å; L154-L156 PolarHBondContact O-N 3.22Å; L156-Q160 WeakPolarHBondContact O-CG 3.29Å; L156-Q160 PolarHBondContact O-NE2 3.18Å; L156-Q160 VanDerWaalsContact O-NE2 3.07Å
157Y94.4Very high91.8Very high2 Ų254.8 Ų54.81%0.00831%0.306CS..Hα-helixtrans-69.3-47-179.9-179-138.6000112.1E91 C94 L95 L98 P103 V107 R108 A111 M153 L154 A155 Q159 Q160E91-Y157 HydrophobicContact CG-CE1 4.47Å; E91-Y157 WeakPolarHBondContact CG-OH 3.31Å; E91-Y157 PolarHBondContact OE1-OH 2.97Å; E91-Y157 VanDerWaalsContact OE1-OH 3.12Å; C94-Y157 HydrophobicContact CB-CD2 3.73Å; C94-Y157 HydrophobicContact CB-CE2 3.36Å; C94-Y157 PolarHBondContact SG-O 3.03Å; C94-Y157 VanDerWaalsContact SG-O 3.39Å; L95-Y157 HydrophobicContact CD2-CE2 4.17Å; L95-Y157 VanDerWaalsContact CD2-OH 3.25Å; L95-Y157 WeakPolarHBondContact CD2-OH 3.44Å; L95-Y157 HydrophobicContact CG-CE2 4.42Å; L95-Y157 VanDerWaalsContact CG-OH 3.31Å; L95-Y157 WeakPolarHBondContact CG-OH 3.4Å; L98-Y157 HydrophobicContact CD1-CD2 3.4Å; L98-Y157 HydrophobicContact CD1-CE2 3.9Å; L98-Y157 HydrophobicContact CD1-CG 4.45Å; P103-Y157 HydrophobicContact CG-CD1 4.11Å; P103-Y157 HydrophobicContact CG-CD2 3.73Å; P103-Y157 HydrophobicContact CG-CE1 4.26Å; P103-Y157 HydrophobicContact CG-CE2 3.86Å; P103-Y157 HydrophobicContact CG-CG 3.82Å; V107-Y157 HydrophobicContact CG1-CD1 4.02Å; R108-Y157 HydrophobicContact CG-CE1 4.09Å; A111-Y157 HydrophobicContact CB-CD1 3.66Å; A111-Y157 HydrophobicContact CB-CE1 3.67Å; M153-Y157 VanDerWaalsContact O-CB 3.23Å; M153-Y157 WeakPolarHBondContact O-CB 3.34Å; M153-Y157 PolarHBondContact O-N 3.45Å; L154-Y157 PolarHBondContact O-N 3.14Å; A155-Y157 VanDerWaalsContact C-N 3.29Å; A155-Y157 PolarHBondContact O-N 3.35Å; Y157-Q159 VanDerWaalsContact C-N 3.32Å; Y157-Q159 PolarHBondContact O-N 3.48Å; Y157-Q160 WeakPolarHBondContact O-CB 3.46Å; Y157-Q160 PolarHBondContact O-N 3.46Å; Y157-Q160 VanDerWaalsContact O-N 3.15Å
158V92.9Very high91.5Very high10 Ų1060.6 Ų60.66%0.06133%0.332CS..Hα-helixtrans-66.8-34.5178.4174.70000111.2A111 M114 F115 L154 A155 Q160 E161 L166A111-V158 HydrophobicContact CB-CG2 4.02Å; M114-V158 HydrophobicContact CE-CG1 4.26Å; M114-V158 HydrophobicContact CE-CG2 3.99Å; M114-V158 HydrophobicContact SD-CG2 3.98Å; F115-V158 HydrophobicContact CE1-CG1 4.22Å; F115-V158 HydrophobicContact CZ-CG2 4.41Å; L154-V158 HydrophobicContact CD1-CG2 3.95Å; L154-V158 WeakPolarHBondContact O-CG2 3.41Å; L154-V158 PolarHBondContact O-N 3.04Å; A155-V158 PolarHBondContact O-N 3.04Å; V158-Q160 PolarHBondContact O-N 3.32Å; V158-Q160 VanDerWaalsContact O-N 3.13Å; V158-E161 WeakPolarHBondContact O-CB 3.32Å; V158-E161 PolarHBondContact O-N 2.87Å; V158-E161 VanDerWaalsContact O-N 3.1Å; V158-L166 HydrophobicContact CG1-CD2 4.06Å
159Q90.9Very high91.3Very high117 Ų11762 Ų6255%0.54733%0.334SS..THydrogen-bonded Turntrans-62.3-15.7173.8-76171.89.600114.3A155 Y157 E161A155-Q159 WeakPolarHBondContact O-CB 3.44Å; A155-Q159 WeakPolarHBondContact O-CG 3.49Å; A155-Q159 PolarHBondContact O-N 2.88Å; A155-Q159 VanDerWaalsContact O-N 3.08Å; Y157-Q159 VanDerWaalsContact C-N 3.32Å; Y157-Q159 PolarHBondContact O-N 3.48Å; Q159-E161 PolarHBondContact O-N 2.71Å
160Q91.6Very high91Very high50 Ų5056.1 Ų56.123%0.23431%0.306CS..THydrogen-bonded Turntrans-74-11.9175.1-58.9-49-53.800113.3C94 R97 L98 L156 Y157 V158C94-Q160 HydrophobicContact CB-CB 4.02Å; R97-Q160 WeakPolarHBondContact CD-O 3.1Å; R97-Q160 PolarHBondContact NH1-O 3.28Å; R97-Q160 VanDerWaalsContact NH1-O 3.16Å; L98-Q160 HydrophobicContact CD1-CG 3.97Å; L98-Q160 HydrophobicContact CD2-CG 4.03Å; L98-Q160 HydrophobicContact CG-CG 3.91Å; L156-Q160 WeakPolarHBondContact O-CG 3.29Å; L156-Q160 PolarHBondContact O-NE2 3.18Å; L156-Q160 VanDerWaalsContact O-NE2 3.07Å; Y157-Q160 WeakPolarHBondContact O-CB 3.46Å; Y157-Q160 PolarHBondContact O-N 3.46Å; Y157-Q160 VanDerWaalsContact O-N 3.15Å; V158-Q160 PolarHBondContact O-N 3.32Å; V158-Q160 VanDerWaalsContact O-N 3.13Å
161E88.9Confident90.7Very high13 Ų1357.3 Ų57.36%0.06132%0.315CS..SBendtrans-64.9151.8169.5-131.3-80.1177.600110.2R90 R93 V158 Q159 D163 L166R90-E161 HydrophobicContact CB-CG 4.31Å; R90-E161 IonicContact NH1-OE1 3.78Å; R90-E161 PolarHBondContact NH1-OE1 2.96Å; R93-E161 HydrophobicContact CB-CG 4.46Å; R93-E161 WeakPolarHBondContact CD-OE1 3.44Å; R93-E161 IonicContact CZ-OE1 3.67Å; R93-E161 IonicContact NE-OE1 2.83Å; R93-E161 IonicContact NH1-OE1 3.56Å; R93-E161 PolarHBondContact NH1-OE1 3.47Å; R93-E161 IonicContact NH1-OE2 3.54Å; V158-E161 WeakPolarHBondContact O-CB 3.32Å; V158-E161 PolarHBondContact O-N 2.87Å; V158-E161 VanDerWaalsContact O-N 3.1Å; Q159-E161 PolarHBondContact O-N 2.71Å; E161-D163 WeakPolarHBondContact OE2-CB 3.25Å; E161-D163 PolarHBondContact OE2-N 3.29Å; E161-L166 HydrophobicContact CB-CD2 3.29Å; E161-L166 HydrophobicContact CG-CD2 3.55Å
162E83.9Confident90.4Very high93 Ų9360.9 Ų60.944%0.43534%0.34SS..SBendtrans-90.6-16.5-171.9-81.1165.3-174.600113.6R96 R97 S164R96-E162 IonicContact CZ-OE1 2.71Å; R96-E162 IonicContact NH2-OE1 3.58Å; R96-E162 PolarHBondContact NH2-OE1 3.13Å; R96-E162 IonicContact NH2-OE2 3.9Å; R97-E162 IonicContact CZ-OE1 2.64Å; R97-E162 IonicContact NE-OE1 3.65Å; R97-E162 IonicContact NH2-OE1 2.63Å; R97-E162 PolarHBondContact NH2-OE1 2.86Å; E162-S164 PolarHBondContact O-N 3.07Å
163D85.9Confident90.2Very high47 Ų4759.2 Ų59.225%0.25133%0.33SS..  trans-79.8107.3-177-174.4-7.7000110.5R90 E161 N165 L166R90-D163 IonicContact CZ-OD2 2.74Å; R90-D163 IonicContact NH1-OD2 3.85Å; R90-D163 PolarHBondContact NH1-OD2 3.3Å; R90-D163 IonicContact NH2-OD2 2.86Å; E161-D163 WeakPolarHBondContact OE2-CB 3.25Å; E161-D163 PolarHBondContact OE2-N 3.29Å; D163-N165 PolarHBondContact O-N 2.94Å; D163-N165 VanDerWaalsContact O-N 3.13Å; D163-N165 PolarHBondContact OD1-N 3.31Å; D163-N165 VanDerWaalsContact OD1-N 3.14Å; D163-L166 HydrophobicContact CB-CB 4.13Å; D163-L166 VanDerWaalsContact O-CB 3.22Å; D163-L166 WeakPolarHBondContact O-CB 3.35Å; D163-L166 PolarHBondContact O-N 2.8Å; D163-L166 VanDerWaalsContact O-N 3.08Å
164S81.8Confident90.1Very high109 Ų10955.9 Ų55.976%0.76231%0.314SS*.THydrogen-bonded Turntrans-60.3-22.9-17956.70000113.5E162E162-S164 PolarHBondContact O-N 3.07Å
165N87.8Confident89.9Confident88 Ų8857.1 Ų57.147%0.47132%0.322SS..THydrogen-bonded Turntrans-89.8-11.2-178.9-63-22.6000112.7D163 T167 Q168 E169D163-N165 PolarHBondContact O-N 2.94Å; D163-N165 VanDerWaalsContact O-N 3.13Å; D163-N165 PolarHBondContact OD1-N 3.31Å; D163-N165 VanDerWaalsContact OD1-N 3.14Å; N165-T167 VanDerWaalsContact C-N 3.3Å; N165-T167 PolarHBondContact O-N 3.29Å; N165-Q168 PolarHBondContact O-N 3Å; N165-E169 PolarHBondContact O-N 3.33Å
166L88Confident89.9Confident3 Ų359.3 Ų59.32%0.01633%0.333CS..Hα-helixtrans-55.1-43.4-172.9178.365.8000113F115 L118 V158 E161 D163 Q168 E169 V170F115-L166 HydrophobicContact CD1-CD1 4.37Å; F115-L166 HydrophobicContact CE1-CD1 4.3Å; F115-L166 HydrophobicContact CE1-CD2 3.98Å; L118-L166 HydrophobicContact CD1-CD1 3.79Å; V158-L166 HydrophobicContact CG1-CD2 4.06Å; E161-L166 HydrophobicContact CB-CD2 3.29Å; E161-L166 HydrophobicContact CG-CD2 3.55Å; D163-L166 HydrophobicContact CB-CB 4.13Å; D163-L166 VanDerWaalsContact O-CB 3.22Å; D163-L166 WeakPolarHBondContact O-CB 3.35Å; D163-L166 PolarHBondContact O-N 2.8Å; D163-L166 VanDerWaalsContact O-N 3.08Å; L166-Q168 VanDerWaalsContact C-N 3.27Å; L166-Q168 PolarHBondContact O-N 3.44Å; L166-E169 PolarHBondContact O-N 3.19Å; L166-V170 HydrophobicContact CD1-CG2 3.58Å; L166-V170 HydrophobicContact CG-CG2 4.03Å; L166-V170 WeakPolarHBondContact O-CB 3.29Å; L166-V170 VanDerWaalsContact O-CG2 3.3Å; L166-V170 WeakPolarHBondContact O-CG2 3.3Å; L166-V170 PolarHBondContact O-N 3.26Å
167T85.7Confident89.8Confident90 Ų9056.4 Ų56.455%0.55232%0.321SS*.Hα-helixtrans-58.5-42.2180-55.70000111.2N165 T171N165-T167 VanDerWaalsContact C-N 3.3Å; N165-T167 PolarHBondContact O-N 3.29Å; T167-T171 VanDerWaalsContact O-CB 3.29Å; T167-T171 WeakPolarHBondContact O-CB 3.39Å; T167-T171 PolarHBondContact O-N 3.32Å; T167-T171 PolarHBondContact O-OG1 3.11Å
168Q87.4Confident89.8Confident140 Ų14056.3 Ų56.365%0.65432%0.321SS*.Hα-helixtrans-71.4-43.3178.5-174.4177.32.800111.5N165 L166 T171 S172N165-Q168 PolarHBondContact O-N 3Å; L166-Q168 VanDerWaalsContact C-N 3.27Å; L166-Q168 PolarHBondContact O-N 3.44Å; Q168-T171 PolarHBondContact O-N 3.31Å; Q168-S172 WeakPolarHBondContact O-CB 3.47Å; Q168-S172 PolarHBondContact O-N 2.81Å; Q168-S172 PolarHBondContact O-OG 2.7Å
169E91.9Very high89.8Confident78 Ų7861.8 Ų61.836%0.36434%0.341SS..Hα-helixtrans-59.6-49.4177.1-69.5-176.9176.700111.3R90 L118 N165 L166 S172 A173R90-E169 IonicContact NH2-OE2 2.68Å; R90-E169 PolarHBondContact NH2-OE2 3.02Å; L118-E169 HydrophobicContact CD2-CB 3.75Å; N165-E169 PolarHBondContact O-N 3.33Å; L166-E169 PolarHBondContact O-N 3.19Å; E169-S172 PolarHBondContact O-N 2.86Å; E169-A173 WeakPolarHBondContact O-CB 3.39Å; E169-A173 PolarHBondContact O-N 2.74Å
170V90.9Very high89.8Confident3 Ų360.1 Ų60.12%0.01834%0.336CS..Hα-helixtrans-64.7-44.4179.8170.20000111.3M114 L118 L166 S172 A173 L174M114-V170 HydrophobicContact CB-CG1 3.77Å; M114-V170 HydrophobicContact CE-CG1 3.45Å; M114-V170 VanDerWaalsContact CE-CG1 3.45Å; M114-V170 HydrophobicContact CG-CG1 4Å; L118-V170 HydrophobicContact CD1-CG2 4.21Å; L118-V170 HydrophobicContact CD2-CB 4.5Å; L118-V170 HydrophobicContact CD2-CG2 3.86Å; L118-V170 HydrophobicContact CG-CG2 4.24Å; L166-V170 HydrophobicContact CD1-CG2 3.58Å; L166-V170 HydrophobicContact CG-CG2 4.03Å; L166-V170 WeakPolarHBondContact O-CB 3.29Å; L166-V170 VanDerWaalsContact O-CG2 3.3Å; L166-V170 WeakPolarHBondContact O-CG2 3.3Å; L166-V170 PolarHBondContact O-N 3.26Å; V170-S172 PolarHBondContact O-N 2.74Å; V170-A173 PolarHBondContact O-N 2.96Å; V170-L174 HydrophobicContact CG1-CD1 3.59Å; V170-L174 HydrophobicContact CG1-CG 4.06Å; V170-L174 WeakPolarHBondContact O-CB 3.22Å; V170-L174 VanDerWaalsContact O-CG 3.31Å; V170-L174 WeakPolarHBondContact O-CG 3.46Å; V170-L174 PolarHBondContact O-N 2.94Å
171T89.5Confident89.9Confident62 Ų6260 Ų6038%0.3834%0.339SS..Hα-helixtrans-61-34.8177.7-58.10000111.6T167 Q168 R179T167-T171 VanDerWaalsContact O-CB 3.29Å; T167-T171 WeakPolarHBondContact O-CB 3.39Å; T167-T171 PolarHBondContact O-N 3.32Å; T167-T171 PolarHBondContact O-OG1 3.11Å; Q168-T171 PolarHBondContact O-N 3.31Å; T171-R179 HydrophobicContact CG2-CG 4.34Å; T171-R179 PolarHBondContact O-NE 3.39Å; T171-R179 VanDerWaalsContact O-NE 3.1Å
172S91.4Very high90.2Very high84 Ų8461.1 Ų61.159%0.58735%0.345SS*.Hα-helixtrans-74.7-36.4177.7-55.10000112.3Q168 E169 V170Q168-S172 WeakPolarHBondContact O-CB 3.47Å; Q168-S172 PolarHBondContact O-N 2.81Å; Q168-S172 PolarHBondContact O-OG 2.7Å; E169-S172 PolarHBondContact O-N 2.86Å; V170-S172 PolarHBondContact O-N 2.74Å
173A92.8Very high90.8Very high37 Ų3757.4 Ų57.431%0.30633%0.329SS..Hα-helixtrans-76.9-29178.800000113.6L117 L118 E169 V170L117-A173 HydrophobicContact CB-CB 4.42Å; L118-A173 HydrophobicContact CD2-CB 4.02Å; E169-A173 WeakPolarHBondContact O-CB 3.39Å; E169-A173 PolarHBondContact O-N 2.74Å; V170-A173 PolarHBondContact O-N 2.96Å
174L93.3Very high91.2Very high7 Ų755.2 Ų55.24%0.03732%0.318CS..SBendtrans-71.5138.6178.8-78.7167.1000111.7M114 L117 V170 C178 R179 L184M114-L174 HydrophobicContact CE-CD1 4.44Å; M114-L174 HydrophobicContact CG-CD1 4.25Å; M114-L174 HydrophobicContact CG-CD2 4.38Å; L117-L174 HydrophobicContact CD1-CD2 3.65Å; V170-L174 HydrophobicContact CG1-CD1 3.59Å; V170-L174 HydrophobicContact CG1-CG 4.06Å; V170-L174 WeakPolarHBondContact O-CB 3.22Å; V170-L174 VanDerWaalsContact O-CG 3.31Å; V170-L174 WeakPolarHBondContact O-CG 3.46Å; V170-L174 PolarHBondContact O-N 2.94Å; L174-C178 HydrophobicContact CD2-CB 4.11Å; L174-R179 HydrophobicContact CB-CG 4.15Å; L174-L184 HydrophobicContact CD2-CD2 4.43Å
175P92.6Very high91.9Very high26 Ų2650 Ų5017%0.16928%0.281CS..  trans-55.7146.7167.5-21.831.3000111.3E130 S177 C178 R179E130-P175 HydrophobicContact CB-CB 3.81Å; E130-P175 HydrophobicContact CB-CG 4.27Å; E130-P175 HydrophobicContact CG-CB 4.31Å; P175-S177 VanDerWaalsContact C-N 3.27Å; P175-S177 PolarHBondContact O-N 2.87Å; P175-S177 VanDerWaalsContact O-N 3.16Å; P175-C178 HydrophobicContact CB-CB 4.48Å; P175-C178 WeakPolarHBondContact O-CA 3.34Å; P175-C178 PolarHBondContact O-N 2.95Å; P175-R179 PolarHBondContact O-N 2.99Å
176P92.4Very high92.3Very high83 Ų8345.9 Ų45.954%0.53926%0.259SS..G310 helixtrans-49.7-44.4-177.1-29.235.4000114E130 C178 R179E130-P176 WeakPolarHBondContact OE1-CD 3.44Å; P176-C178 PolarHBondContact O-N 3.18Å; P176-R179 PolarHBondContact O-N 3.44Å
177S91.7Very high92.6Very high42 Ų4246 Ų4629%0.29426%0.26SS..G310 helixtrans-68.1-11.7179.259.90000114.7E130 P175 S183 K187E130-S177 WeakPolarHBondContact CG-OG 3.48Å; E130-S177 PolarHBondContact O-OG 2.96Å; E130-S177 WeakPolarHBondContact OE1-CB 3.45Å; E130-S177 PolarHBondContact OE1-N 3.28Å; E130-S177 PolarHBondContact OE1-OG 2.68Å; P175-S177 VanDerWaalsContact C-N 3.27Å; P175-S177 PolarHBondContact O-N 2.87Å; P175-S177 VanDerWaalsContact O-N 3.16Å; S177-S183 VanDerWaalsContact O-CB 3.3Å; S177-S183 WeakPolarHBondContact O-CB 3.47Å; S177-S183 PolarHBondContact O-OG 3.47Å; S177-K187 PolarHBondContact OG-NZ 2.97Å
178C93.4Very high93.1Very high1 Ų141.8 Ų41.81%0.00723%0.233CC..G310 helixtrans-109.61.2-178.6-63.80000113.3L129 L174 P175 P176 D180 L184 K187L129-C178 HydrophobicContact CD2-CB 4.47Å; L174-C178 HydrophobicContact CD2-CB 4.11Å; P175-C178 HydrophobicContact CB-CB 4.48Å; P175-C178 WeakPolarHBondContact O-CA 3.34Å; P175-C178 PolarHBondContact O-N 2.95Å; P176-C178 PolarHBondContact O-N 3.18Å; C178-D180 VanDerWaalsContact C-N 3.33Å; C178-L184 HydrophobicContact CB-CD1 4.36Å; C178-K187 PolarHBondContact SG-NZ 2.76Å; C178-K187 VanDerWaalsContact SG-NZ 3.36Å
179R93.1Very high93.4Very high125 Ų12536.8 Ų36.847%0.47221%0.213SC..SBendtrans-71.1-29.6178.6-68.7178.5-177.6166.22.1112.9T171 L174 P175 P176 P181T171-R179 HydrophobicContact CG2-CG 4.34Å; T171-R179 PolarHBondContact O-NE 3.39Å; T171-R179 VanDerWaalsContact O-NE 3.1Å; L174-R179 HydrophobicContact CB-CG 4.15Å; P175-R179 PolarHBondContact O-N 2.99Å; P176-R179 PolarHBondContact O-N 3.44Å; R179-P181 WeakPolarHBondContact O-CD 3.49Å
180D92.5Very high93.3Very high82 Ų8233.7 Ų33.744%0.43920%0.199SC..SBendtrans-75.3119.5169.6170.538.9000109.8C178 L182 S183 L184C178-D180 VanDerWaalsContact C-N 3.33Å; D180-L182 PolarHBondContact O-N 3.36Å; D180-L182 PolarHBondContact OD1-N 3.06Å; D180-L182 WeakPolarHBondContact OD2-CB 3.42Å; D180-S183 WeakPolarHBondContact O-CB 3.35Å; D180-S183 PolarHBondContact O-N 3.47Å; D180-S183 VanDerWaalsContact O-N 3.15Å; D180-S183 PolarHBondContact OD2-N 3.32Å; D180-L184 PolarHBondContact O-N 3.36Å
181P93.6Very high93.5Very high46 Ų4634.7 Ų34.730%0.29921%0.205SC..Hα-helixtrans-58.5-30.7-179.9-26.636.6000113.8A151 L154 R179 I185A151-P181 HydrophobicContact CB-CB 3.99Å; L154-P181 HydrophobicContact CD2-CB 4.38Å; R179-P181 WeakPolarHBondContact O-CD 3.49Å; P181-I185 WeakPolarHBondContact O-CB 3.27Å; P181-I185 VanDerWaalsContact O-CG1 3.31Å; P181-I185 WeakPolarHBondContact O-CG1 3.31Å; P181-I185 PolarHBondContact O-N 3.05Å
182L95.1Very high93.7Very high38 Ų3833.2 Ų33.220%0.19920%0.196CC..Hα-helixtrans-65.9-48.3175.9171.764.8000110.9L136 L147 A151 D180 L184 I185 A186L136-L182 HydrophobicContact CD2-CD1 4.36Å; L136-L182 HydrophobicContact CD2-CG 4.27Å; L147-L182 HydrophobicContact CB-CD1 3.48Å; L147-L182 VanDerWaalsContact CB-CD1 3.48Å; A151-L182 HydrophobicContact CB-CB 4.18Å; D180-L182 PolarHBondContact O-N 3.36Å; D180-L182 PolarHBondContact OD1-N 3.06Å; D180-L182 WeakPolarHBondContact OD2-CB 3.42Å; L182-L184 PolarHBondContact O-N 3.44Å; L182-I185 PolarHBondContact O-N 3.28Å; L182-A186 WeakPolarHBondContact O-CB 3.32Å; L182-A186 PolarHBondContact O-N 3Å
183S95.1Very high94Very high14 Ų1430.3 Ų30.310%0.09817%0.173CC..Hα-helixtrans-57.7-45.9173.6-1770000112.9S177 D180 A186 K187S177-S183 VanDerWaalsContact O-CB 3.3Å; S177-S183 WeakPolarHBondContact O-CB 3.47Å; S177-S183 PolarHBondContact O-OG 3.47Å; D180-S183 WeakPolarHBondContact O-CB 3.35Å; D180-S183 PolarHBondContact O-N 3.47Å; D180-S183 VanDerWaalsContact O-N 3.15Å; D180-S183 PolarHBondContact OD2-N 3.32Å; S183-A186 PolarHBondContact O-N 2.91Å; S183-K187 WeakPolarHBondContact O-CG 3.21Å; S183-K187 PolarHBondContact O-N 3.16Å
184L95.9Very high94.1Very high2 Ų231.6 Ų31.61%0.0118%0.178CC..Hα-helixtrans-61.8-46.9177.9178.160.1000111.7A110 M114 L129 L154 L174 C178 D180 L182 A186 K187 V188A110-L184 HydrophobicContact CB-CD2 4.43Å; A110-L184 HydrophobicContact CB-CG 4.47Å; M114-L184 HydrophobicContact CG-CD2 3.71Å; M114-L184 HydrophobicContact SD-CD2 3.91Å; L129-L184 HydrophobicContact CD1-CD1 4.4Å; L129-L184 HydrophobicContact CD2-CD1 4.08Å; L154-L184 HydrophobicContact CD2-CD2 4.24Å; L174-L184 HydrophobicContact CD2-CD2 4.43Å; C178-L184 HydrophobicContact CB-CD1 4.36Å; D180-L184 PolarHBondContact O-N 3.36Å; L182-L184 PolarHBondContact O-N 3.44Å; L184-A186 VanDerWaalsContact C-N 3.35Å; L184-A186 PolarHBondContact O-N 2.81Å; L184-K187 PolarHBondContact O-N 3.09Å; L184-V188 HydrophobicContact CD1-CG2 4.19Å; L184-V188 VanDerWaalsContact O-CG2 3.31Å; L184-V188 WeakPolarHBondContact O-CG2 3.31Å; L184-V188 PolarHBondContact O-N 2.86Å
185I96.4Very high94.3Very high0 Ų031.3 Ų31.30%018%0.176CC..Hα-helixtrans-61.2-44.7178.1-76.4-69.4000110.9V107 A110 L147 L150 A151 L154 P181 L182 K187 V188 T189V107-I185 HydrophobicContact CG2-CD1 4.29Å; A110-I185 HydrophobicContact CB-CD1 3.75Å; L147-I185 HydrophobicContact CB-CG2 4.34Å; L147-I185 HydrophobicContact CD2-CG2 3.85Å; L150-I185 HydrophobicContact CB-CD1 4.49Å; L150-I185 HydrophobicContact CB-CG2 3.92Å; L150-I185 HydrophobicContact CD1-CG2 4.25Å; A151-I185 HydrophobicContact CB-CG1 4.42Å; L154-I185 HydrophobicContact CB-CD1 4.41Å; L154-I185 HydrophobicContact CD2-CD1 4Å; L154-I185 HydrophobicContact CD2-CG1 3.92Å; P181-I185 WeakPolarHBondContact O-CB 3.27Å; P181-I185 VanDerWaalsContact O-CG1 3.31Å; P181-I185 WeakPolarHBondContact O-CG1 3.31Å; P181-I185 PolarHBondContact O-N 3.05Å; L182-I185 PolarHBondContact O-N 3.28Å; I185-K187 PolarHBondContact O-N 3.2Å; I185-V188 PolarHBondContact O-N 3.17Å; I185-T189 HydrophobicContact CG2-CG2 4.27Å; I185-T189 WeakPolarHBondContact O-CG2 3.41Å; I185-T189 PolarHBondContact O-N 3.41Å; I185-T189 PolarHBondContact O-OG1 2.66Å
186A95.1Very high94.3Very high0 Ų030.9 Ų30.90%017%0.173CC..Hα-helixtrans-58.1-46.6177.900000111.9L136 L147 L182 S183 L184 V188 T189 C190L136-A186 HydrophobicContact CD1-CB 4.15Å; L136-A186 HydrophobicContact CD2-CB 3.74Å; L136-A186 HydrophobicContact CG-CB 3.74Å; L147-A186 HydrophobicContact CD1-CB 3.98Å; L182-A186 WeakPolarHBondContact O-CB 3.32Å; L182-A186 PolarHBondContact O-N 3Å; S183-A186 PolarHBondContact O-N 2.91Å; L184-A186 VanDerWaalsContact C-N 3.35Å; L184-A186 PolarHBondContact O-N 2.81Å; A186-V188 PolarHBondContact O-N 2.8Å; A186-T189 WeakPolarHBondContact CA-OG1 3.31Å; A186-T189 PolarHBondContact O-N 2.88Å; A186-T189 PolarHBondContact O-OG1 3.02Å; A186-C190 PolarHBondContact O-N 3.39Å; A186-C190 VanDerWaalsContact O-N 3.09Å; A186-C190 PolarHBondContact O-SG 3.5Å; A186-C190 VanDerWaalsContact O-SG 3.41Å
187K95.8Very high94.2Very high7 Ų728.2 Ų28.23%0.0316%0.155CC..Hα-helixtrans-61.2-44.5175-69.7179.1-178.9-170.40112L129 E130 H132 S177 C178 S183 L184 I185 C190 N191L129-K187 PolarHBondContact O-NZ 3.05Å; E130-K187 PolarHBondContact O-NZ 3.04Å; H132-K187 HydrophobicContact CB-CB 4.21Å; H132-K187 HydrophobicContact CB-CD 4.17Å; H132-K187 HydrophobicContact CB-CG 4.21Å; H132-K187 VanDerWaalsContact O-CE 3.29Å; H132-K187 WeakPolarHBondContact O-CE 3.47Å; S177-K187 PolarHBondContact OG-NZ 2.97Å; C178-K187 PolarHBondContact SG-NZ 2.76Å; C178-K187 VanDerWaalsContact SG-NZ 3.36Å; S183-K187 WeakPolarHBondContact O-CG 3.21Å; S183-K187 PolarHBondContact O-N 3.16Å; L184-K187 PolarHBondContact O-N 3.09Å; I185-K187 PolarHBondContact O-N 3.2Å; K187-C190 PolarHBondContact O-N 3.15Å; K187-N191 WeakPolarHBondContact O-CB 3.41Å; K187-N191 PolarHBondContact O-N 3.18Å; K187-N191 VanDerWaalsContact O-N 3.16Å; K187-N191 PolarHBondContact O-ND2 2.87Å
188V95.4Very high93.7Very high0 Ų027.3 Ų27.30%015%0.152CC..Hα-helixtrans-62.3-46.7178.4171.20000110.8L109 A110 I113 L184 I185 A186 C190 N191 C192L109-V188 HydrophobicContact CB-CG1 4.37Å; L109-V188 HydrophobicContact CD2-CG1 3.75Å; L109-V188 HydrophobicContact CG-CG1 4.03Å; A110-V188 HydrophobicContact CB-CG2 4.21Å; I113-V188 HydrophobicContact CD1-CG2 3.59Å; L184-V188 HydrophobicContact CD1-CG2 4.19Å; L184-V188 VanDerWaalsContact O-CG2 3.31Å; L184-V188 WeakPolarHBondContact O-CG2 3.31Å; L184-V188 PolarHBondContact O-N 2.86Å; I185-V188 PolarHBondContact O-N 3.17Å; A186-V188 PolarHBondContact O-N 2.8Å; V188-C190 VanDerWaalsContact C-N 3.32Å; V188-C190 PolarHBondContact O-N 3.04Å; V188-N191 PolarHBondContact O-N 3.33Å; V188-C192 WeakPolarHBondContact O-CB 3.44Å; V188-C192 PolarHBondContact O-N 3.43Å; V188-C192 PolarHBondContact O-SG 3.46Å
189T92.8Very high93.4Very high36 Ų3630.7 Ų30.722%0.22117%0.167CC..Hα-helixtrans-66.7-31.2-177.450.10000113.6L147 I185 A186L147-T189 HydrophobicContact CD2-CG2 4.07Å; I185-T189 HydrophobicContact CG2-CG2 4.27Å; I185-T189 WeakPolarHBondContact O-CG2 3.41Å; I185-T189 PolarHBondContact O-N 3.41Å; I185-T189 PolarHBondContact O-OG1 2.66Å; A186-T189 WeakPolarHBondContact CA-OG1 3.31Å; A186-T189 PolarHBondContact O-N 2.88Å; A186-T189 PolarHBondContact O-OG1 3.02Å
190C90.9Very high93.1Very high12 Ų1227 Ų278%0.08116%0.157CC..Hα-helixtrans-84.2-21.1179.6-68.70000113.6A186 K187 V188A186-C190 PolarHBondContact O-N 3.39Å; A186-C190 VanDerWaalsContact O-N 3.09Å; A186-C190 PolarHBondContact O-SG 3.5Å; A186-C190 VanDerWaalsContact O-SG 3.41Å; K187-C190 PolarHBondContact O-N 3.15Å; V188-C190 VanDerWaalsContact C-N 3.32Å; V188-C190 PolarHBondContact O-N 3.04Å
191N94.6Very high92.9Very high24 Ų2427 Ų2713%0.12815%0.154CC..Hα-helixtrans-125.9-4.1-168.5-59.5-94.6000114.7E133 K187 V188 F193 L207 S212E133-N191 PolarHBondContact O-ND2 3.4Å; K187-N191 WeakPolarHBondContact O-CB 3.41Å; K187-N191 PolarHBondContact O-N 3.18Å; K187-N191 VanDerWaalsContact O-N 3.16Å; K187-N191 PolarHBondContact O-ND2 2.87Å; V188-N191 PolarHBondContact O-N 3.33Å; N191-F193 WeakPolarHBondContact O-CD2 3.48Å; N191-F193 WeakPolarHBondContact O-CE2 3.4Å; N191-L207 HydrophobicContact CB-CD1 3.81Å; N191-L207 WeakPolarHBondContact O-CD1 3.46Å; N191-S212 PolarHBondContact O-OG 2.98Å
192C94.6Very high92.9Very high31 Ų3130.9 Ų30.921%0.20917%0.168CC..PPolyproline II helixtrans-69.8145.9174.567.80000111.2L109 V188 G206L109-C192 HydrophobicContact CD2-CB 3.68Å; V188-C192 WeakPolarHBondContact O-CB 3.44Å; V188-C192 PolarHBondContact O-N 3.43Å; V188-C192 PolarHBondContact O-SG 3.46Å; C192-G206 CarbonylContact C-O 3.57Å; C192-G206 WeakPolarHBondContact CA-O 3.34Å
193F96.1Very high93Very high24 Ų2429 Ų2911%0.10516%0.159CC..EExtended strand (participates in β ladder)trans-102.2135.4174.7-66.2-100.3000109.2N191 I195 V205 G206 Y208 L211 S212 M224 F226 L231 I247N191-F193 WeakPolarHBondContact O-CD2 3.48Å; N191-F193 WeakPolarHBondContact O-CE2 3.4Å; F193-I195 PolarHBondContact O-N 2.95Å; F193-V205 CarbonylContact O-C 3.42Å; F193-V205 VanDerWaalsContact O-CA 3.28Å; F193-V205 WeakPolarHBondContact O-CA 3.33Å; F193-G206 PolarHBondContact N-O 2.74Å; F193-G206 PolarHBondContact O-N 3.47Å; F193-Y208 HydrophobicContact CB-CD2 4Å; F193-Y208 HydrophobicContact CB-CE2 3.98Å; F193-Y208 AromaticContact CD2-CD2 3.57Å; F193-Y208 HydrophobicContact CD2-CD2 3.57Å; F193-Y208 HydrophobicContact CD2-CE2 4.4Å; F193-Y208 HydrophobicContact CD2-CG 4.41Å; F193-Y208 HydrophobicContact CE2-CD2 4.29Å; F193-Y208 AromaticContact CG-CD2 3.97Å; F193-Y208 HydrophobicContact CG-CD2 3.97Å; F193-Y208 HydrophobicContact CG-CE2 4.43Å; F193-L211 HydrophobicContact CZ-CB 4.4Å; F193-S212 WeakPolarHBondContact CE2-OG 3.49Å; F193-M224 HydrophobicContact CD1-CE 3.84Å; F193-M224 HydrophobicContact CD1-SD 3.63Å; F193-M224 HydrophobicContact CE1-CE 4Å; F193-M224 HydrophobicContact CE1-SD 3.44Å; F193-M224 WeakPolarHBondContact CE1-SD 3.41Å; F193-F226 HydrophobicContact CB-CZ 4.25Å; F193-L231 HydrophobicContact CD1-CD1 4.12Å; F193-L231 HydrophobicContact CE1-CD1 4.4Å; F193-L231 HydrophobicContact CG-CD1 4.31Å; F193-I247 HydrophobicContact CE1-CD1 3.95Å
194T95.8Very high93.1Very high64 Ų6428.5 Ų28.539%0.39316%0.155SC..EExtended strand (participates in β ladder)trans-69.3118.5165.4-57.50000108.7E202 F226T194-E202 HydrophobicContact CG2-CB 3.78Å; T194-E202 HydrophobicContact CG2-CG 3.53Å; T194-F226 WeakPolarHBondContact O-CE2 3.32Å; T194-F226 WeakPolarHBondContact O-CZ 3.48Å
195I96.7Very high93.1Very high0 Ų029.4 Ų29.40%016%0.161CC..EExtended strand (participates in β ladder)trans-83.8125.1174.7-58.4173.7000107.5F58 F193 V203 G204 Y208 F226 G228 E229F58-I195 HydrophobicContact CD1-CD1 4.4Å; F58-I195 HydrophobicContact CD1-CG2 3.99Å; F58-I195 HydrophobicContact CE1-CD1 3.82Å; F58-I195 HydrophobicContact CE1-CG2 4.43Å; F58-I195 HydrophobicContact CZ-CD1 4.22Å; F193-I195 PolarHBondContact O-N 2.95Å; I195-V203 HydrophobicContact CG2-CG2 4.11Å; I195-V203 WeakPolarHBondContact O-CG2 3.43Å; I195-V203 PolarHBondContact O-N 3.44Å; I195-G204 PolarHBondContact N-O 2.89Å; I195-G204 PolarHBondContact O-N 3.5Å; I195-G204 VanDerWaalsContact O-N 3.15Å; I195-Y208 VanDerWaalsContact CD1-OH 3.29Å; I195-Y208 WeakPolarHBondContact CD1-OH 3.43Å; I195-Y208 HydrophobicContact CG1-CE2 4.5Å; I195-Y208 WeakPolarHBondContact CG1-OH 3.46Å; I195-F226 HydrophobicContact CB-CD1 4.39Å; I195-F226 HydrophobicContact CB-CE1 4.41Å; I195-F226 HydrophobicContact CG1-CD1 4.26Å; I195-F226 HydrophobicContact CG1-CE1 3.96Å; I195-F226 HydrophobicContact CG1-CZ 4.39Å; I195-F226 HydrophobicContact CG2-CB 4.24Å; I195-F226 HydrophobicContact CG2-CD1 3.92Å; I195-F226 HydrophobicContact CG2-CE1 4.43Å; I195-F226 HydrophobicContact CG2-CG 3.99Å; I195-G228 WeakPolarHBondContact CG2-O 3.4Å; I195-E229 HydrophobicContact CD1-CB 4.32Å
196S94.3Very high93.2Very high17 Ų1729.4 Ų29.412%0.11916%0.161CC..EExtended strand (participates in β ladder)trans-107.5156.4175.455.50000112.3Q201 F226S196-Q201 CarbonylContact C-O 3.55Å; S196-Q201 WeakPolarHBondContact CA-O 3.13Å; S196-Q201 WeakPolarHBondContact CB-O 3.5Å; S196-F226 WeakPolarHBondContact O-CB 3.25Å
197D90.4Very high93.3Very high28 Ų2829.4 Ų29.415%0.1516%0.161CC..  trans-79.6-177.516667.319000111.2R60 E199 L200 Q201 V203R60-D197 WeakPolarHBondContact CD-OD2 3.34Å; D197-E199 PolarHBondContact O-N 3.27Å; D197-E199 PolarHBondContact OD1-N 2.96Å; D197-L200 WeakPolarHBondContact O-CA 3.47Å; D197-L200 PolarHBondContact O-N 3.48Å; D197-L200 PolarHBondContact OD1-N 3.38Å; D197-Q201 PolarHBondContact N-O 3.33Å; D197-Q201 WeakPolarHBondContact OD1-CB 3.37Å; D197-Q201 PolarHBondContact OD1-N 2.54Å; D197-V203 HydrophobicContact CB-CG1 3.95Å; D197-V203 HydrophobicContact CB-CG2 4.5Å
198G81.3Confident93.3Very high22 Ų2229.1 Ų29.123%0.22716%0.159CC..THydrogen-bonded Turntrans-57.5-31.2-179.900000113.3L200 L420G198-L200 PolarHBondContact O-N 3.31Å; G198-L420 WeakPolarHBondContact O-CD2 3.3Å
199E85.2Confident93.2Very high72 Ų7229.4 Ų29.434%0.33616%0.161SC..THydrogen-bonded Turntrans-8818.5178.8-58.7-172.5173.700112.2D197 Q201 V381 K388D197-E199 PolarHBondContact O-N 3.27Å; D197-E199 PolarHBondContact OD1-N 2.96Å; E199-Q201 HydrophobicContact CB-CG 4.4Å; E199-Q201 PolarHBondContact O-N 2.96Å; E199-Q201 VanDerWaalsContact O-N 3.17Å; E199-V381 HydrophobicContact CB-CG1 4.46Å; E199-K388 IonicContact OE1-NZ 2.82Å; E199-K388 PolarHBondContact OE1-NZ 3.19Å
200L87.5Confident93.2Very high47 Ų4727.8 Ų27.825%0.24615%0.152CC..  trans6020.4-179.9-56.7171.5000113.8D197 G198 P377 V378 V381D197-L200 WeakPolarHBondContact O-CA 3.47Å; D197-L200 PolarHBondContact O-N 3.48Å; D197-L200 PolarHBondContact OD1-N 3.38Å; G198-L200 PolarHBondContact O-N 3.31Å; L200-P377 HydrophobicContact CD1-CB 4.12Å; L200-V378 HydrophobicContact CD1-CB 4.31Å; L200-V378 HydrophobicContact CD1-CG2 3.74Å; L200-V381 HydrophobicContact CD1-CB 4.19Å; L200-V381 HydrophobicContact CD1-CG2 3.81Å; L200-V381 HydrophobicContact CG-CG2 3.96Å
201Q89.2Confident93.4Very high82 Ų8227.2 Ų27.238%0.38315%0.148SC..  trans-82.1133.9176-62.2-61.7-58.600110.2S196 D197 E199 V203S196-Q201 CarbonylContact C-O 3.55Å; S196-Q201 WeakPolarHBondContact CA-O 3.13Å; S196-Q201 WeakPolarHBondContact CB-O 3.5Å; D197-Q201 PolarHBondContact N-O 3.33Å; D197-Q201 WeakPolarHBondContact OD1-CB 3.37Å; D197-Q201 PolarHBondContact OD1-N 2.54Å; E199-Q201 HydrophobicContact CB-CG 4.4Å; E199-Q201 PolarHBondContact O-N 2.96Å; E199-Q201 VanDerWaalsContact O-N 3.17Å; Q201-V203 PolarHBondContact O-N 3.39Å
202E93.4Very high93.4Very high128 Ų12826.9 Ų26.960%0.59815%0.147SC*.EExtended strand (participates in β ladder)trans-62.4123.6177.2-51.2-172158.700110.8R49 T194R49-E202 PolarHBondContact NE-O 2.88Å; T194-E202 HydrophobicContact CG2-CB 3.78Å; T194-E202 HydrophobicContact CG2-CG 3.53Å
203V96.1Very high93.5Very high0 Ų025.6 Ų25.60%014%0.138CC..EExtended strand (participates in β ladder)trans-123.9-16.3180-68.20000113.1V45 S46 V53 F58 R60 I195 D197 Q201V45-V203 WeakPolarHBondContact CA-O 3.47Å; S46-V203 PolarHBondContact N-O 3.27Å; V53-V203 HydrophobicContact CG1-CB 4.26Å; V53-V203 HydrophobicContact CG2-CB 4.04Å; V53-V203 HydrophobicContact CG2-CG1 3.8Å; F58-V203 HydrophobicContact CB-CG2 4.42Å; F58-V203 HydrophobicContact CD1-CG2 4.14Å; R60-V203 HydrophobicContact CG-CG1 4.38Å; I195-V203 HydrophobicContact CG2-CG2 4.11Å; I195-V203 WeakPolarHBondContact O-CG2 3.43Å; I195-V203 PolarHBondContact O-N 3.44Å; D197-V203 HydrophobicContact CB-CG1 3.95Å; D197-V203 HydrophobicContact CB-CG2 4.5Å; Q201-V203 PolarHBondContact O-N 3.39Å
204G96.8Very high93.5Very high2 Ų224.5 Ų24.52%0.02113%0.133CC..EExtended strand (participates in β ladder)trans-175.4-167.8177.300000113.9C44 I195C44-G204 CarbonylContact O-C 3.56Å; C44-G204 WeakPolarHBondContact O-CA 3.48Å; I195-G204 PolarHBondContact N-O 2.89Å; I195-G204 PolarHBondContact O-N 3.5Å; I195-G204 VanDerWaalsContact O-N 3.15Å
205V97.5Very high93.6Very high21 Ų2122.3 Ų22.313%0.12712%0.12CC..EExtended strand (participates in β ladder)trans-136.6147.5177.1-66.70000109.9S43 C44 D105 L109 F193S43-V205 CarbonylContact C-O 3.33Å; S43-V205 VanDerWaalsContact CA-O 3.24Å; S43-V205 WeakPolarHBondContact CA-O 3.29Å; C44-V205 PolarHBondContact N-O 2.7Å; C44-V205 PolarHBondContact O-N 3.42Å; C44-V205 VanDerWaalsContact SG-CG2 3.52Å; D105-V205 HydrophobicContact CB-CG2 4Å; L109-V205 HydrophobicContact CB-CG2 4.23Å; L109-V205 HydrophobicContact CD2-CB 4.23Å; L109-V205 HydrophobicContact CD2-CG2 3.93Å; F193-V205 CarbonylContact O-C 3.42Å; F193-V205 VanDerWaalsContact O-CA 3.28Å; F193-V205 WeakPolarHBondContact O-CA 3.33Å
206G97.4Very high93.6Very high0 Ų022.7 Ų22.70%012%0.121CC..EExtended strand (participates in β ladder)trans-150.6159.1176.500000112.7A42 C192 F193A42-G206 VanDerWaalsContact O-CA 3.31Å; A42-G206 WeakPolarHBondContact O-CA 3.16Å; C192-G206 CarbonylContact C-O 3.57Å; C192-G206 WeakPolarHBondContact CA-O 3.34Å; F193-G206 PolarHBondContact N-O 2.74Å; F193-G206 PolarHBondContact O-N 3.47Å
207L96.8Very high93.7Very high0 Ų023.6 Ų23.60%013%0.125CC..EExtended strand (participates in β ladder)trans-109.9125.8175-174.168.1000109.7P40 L41 A42 I113 L129 N191P40-L207 CarbonylContact C-O 3.56Å; P40-L207 WeakPolarHBondContact CA-O 3.12Å; L41-L207 HydrophobicContact CD2-CD2 4.32Å; L41-L207 PolarHBondContact N-O 2.96Å; A42-L207 PolarHBondContact O-N 3.29Å; I113-L207 HydrophobicContact CD1-CB 4.13Å; I113-L207 HydrophobicContact CD1-CD2 3.64Å; L129-L207 HydrophobicContact CD1-CD2 3.58Å; N191-L207 HydrophobicContact CB-CD1 3.81Å; N191-L207 WeakPolarHBondContact O-CD1 3.46Å
208Y95.9Very high93.9Very high1 Ų122.4 Ų22.40%0.00412%0.119CC..  trans-122.186.3-176.7-58.3-97.6000109A38 P40 F193 I195 S210 L211 S212 F226 E229 L231A38-Y208 HydrophobicContact CB-CD1 4.25Å; P40-Y208 HydrophobicContact CB-CD1 4.06Å; P40-Y208 HydrophobicContact CB-CE1 3.59Å; P40-Y208 HydrophobicContact CB-CE2 4.26Å; P40-Y208 HydrophobicContact CG-CE1 4.05Å; F193-Y208 HydrophobicContact CB-CD2 4Å; F193-Y208 HydrophobicContact CB-CE2 3.98Å; F193-Y208 AromaticContact CD2-CD2 3.57Å; F193-Y208 HydrophobicContact CD2-CD2 3.57Å; F193-Y208 HydrophobicContact CD2-CE2 4.4Å; F193-Y208 HydrophobicContact CD2-CG 4.41Å; F193-Y208 HydrophobicContact CE2-CD2 4.29Å; F193-Y208 AromaticContact CG-CD2 3.97Å; F193-Y208 HydrophobicContact CG-CD2 3.97Å; F193-Y208 HydrophobicContact CG-CE2 4.43Å; I195-Y208 VanDerWaalsContact CD1-OH 3.29Å; I195-Y208 WeakPolarHBondContact CD1-OH 3.43Å; I195-Y208 HydrophobicContact CG1-CE2 4.5Å; I195-Y208 WeakPolarHBondContact CG1-OH 3.46Å; Y208-S210 PolarHBondContact O-N 3.48Å; Y208-L211 PolarHBondContact O-N 3.21Å; Y208-S212 PolarHBondContact O-N 3.41Å; Y208-S212 PolarHBondContact O-OG 3.5Å; Y208-F226 AromaticContact CE2-CE1 3.99Å; Y208-F226 HydrophobicContact CE2-CE1 3.99Å; Y208-F226 AromaticContact CZ-CE1 3.78Å; Y208-F226 WeakPolarHBondContact OH-CE1 3.39Å; Y208-E229 WeakPolarHBondContact CE1-O 3.36Å; Y208-E229 PolarHBondContact OH-O 3.44Å; Y208-L231 HydrophobicContact CD1-CB 3.82Å; Y208-L231 HydrophobicContact CD1-CD1 4.3Å; Y208-L231 HydrophobicContact CD2-CD1 4.01Å; Y208-L231 HydrophobicContact CE1-CB 3.67Å; Y208-L231 HydrophobicContact CE2-CD1 4.3Å; Y208-L231 HydrophobicContact CG-CB 4.39Å; Y208-L231 HydrophobicContact CG-CD1 4.02Å
209P93.8Very high94.4Very high6 Ų627.8 Ų27.84%0.03913%0.132CC..G310 helixtrans-49.9-54.2-163.9-31.837.3000114.6L41 Y127 L211 S212L41-P209 HydrophobicContact CB-CG 3.92Å; L41-P209 HydrophobicContact CD2-CG 4.25Å; Y127-P209 WeakPolarHBondContact CB-O 3.17Å; Y127-P209 WeakPolarHBondContact O-CB 3.5Å; P209-L211 VanDerWaalsContact C-N 3.28Å; P209-L211 PolarHBondContact O-N 3.29Å; P209-S212 WeakPolarHBondContact O-CB 3.28Å; P209-S212 PolarHBondContact O-N 2.61Å
210S93.2Very high94.9Very high3 Ų325.2 Ų25.22%0.02112%0.122CC..G310 helixtrans-64.6-28.3-179.9-64.50000114.3E125 L126 Y208 L213E125-S210 WeakPolarHBondContact CA-OG 3.3Å; E125-S210 WeakPolarHBondContact OE2-CB 3.47Å; E125-S210 PolarHBondContact OE2-N 2.96Å; E125-S210 PolarHBondContact OE2-OG 3.47Å; L126-S210 PolarHBondContact N-OG 3.28Å; Y208-S210 PolarHBondContact O-N 3.48Å; S210-L213 WeakPolarHBondContact O-CB 3.49Å
211L95Very high95.4Very high0 Ų024 Ų240%012%0.115CC..G310 helixtrans-87.5-15.5-178.9-64.1-179.5000112.9M7 A36 A38 F193 Y208 P209 L213 L214 L231 L233M7-L211 HydrophobicContact CE-CD2 3.48Å; M7-L211 VanDerWaalsContact CE-CD2 3.48Å; M7-L211 HydrophobicContact CE-CG 4.2Å; A36-L211 HydrophobicContact CB-CD2 4.13Å; A38-L211 HydrophobicContact CB-CD1 3.7Å; A38-L211 HydrophobicContact CB-CG 4.15Å; F193-L211 HydrophobicContact CZ-CB 4.4Å; Y208-L211 PolarHBondContact O-N 3.21Å; P209-L211 VanDerWaalsContact C-N 3.28Å; P209-L211 PolarHBondContact O-N 3.29Å; L211-L213 PolarHBondContact O-N 3.34Å; L211-L213 VanDerWaalsContact O-N 3.11Å; L211-L214 HydrophobicContact CB-CD1 4.28Å; L211-L214 HydrophobicContact CD2-CD1 4.17Å; L211-L214 WeakPolarHBondContact O-CB 3.34Å; L211-L214 WeakPolarHBondContact O-CD1 3.42Å; L211-L214 WeakPolarHBondContact O-CG 3.04Å; L211-L214 PolarHBondContact O-N 2.87Å; L211-L214 VanDerWaalsContact O-N 3.08Å; L211-L231 HydrophobicContact CD1-CB 4.07Å; L211-L231 HydrophobicContact CD1-CD1 3.77Å; L211-L231 HydrophobicContact CD1-CD2 3.46Å; L211-L231 VanDerWaalsContact CD1-CD2 3.46Å; L211-L231 HydrophobicContact CD1-CG 3.94Å; L211-L233 HydrophobicContact CD2-CD2 4.47Å
212S95.2Very high95.7Very high16 Ų1620.1 Ų20.111%0.11210%0.098CC..G310 helixtrans-63.1-9.4167.2-61.20000113.4H132 N191 F193 Y208 P209 L214H132-S212 PolarHBondContact NE2-OG 3.34Å; N191-S212 PolarHBondContact O-OG 2.98Å; F193-S212 WeakPolarHBondContact CE2-OG 3.49Å; Y208-S212 PolarHBondContact O-N 3.41Å; Y208-S212 PolarHBondContact O-OG 3.5Å; P209-S212 WeakPolarHBondContact O-CB 3.28Å; P209-S212 PolarHBondContact O-N 2.61Å; S212-L214 VanDerWaalsContact C-N 3.31Å
213L95.6Very high95.9Very high4 Ų414.6 Ų14.62%0.0217%0.072CC..G310 helixtrans-74.7-13.8170.6-74.3171.2000114.1R13 N21 G22 L23 L126 Y127 S210 L211 N215R13-L213 HydrophobicContact CB-CD1 4Å; R13-L213 HydrophobicContact CG-CD1 4.06Å; R13-L213 HydrophobicContact CG-CD2 4.12Å; N21-L213 HydrophobicContact CB-CD2 3.57Å; G22-L213 CarbonylContact C-O 3.53Å; G22-L213 VanDerWaalsContact CA-O 3.26Å; G22-L213 WeakPolarHBondContact CA-O 3.18Å; L23-L213 HydrophobicContact CB-CB 4.14Å; L23-L213 HydrophobicContact CD1-CB 4.14Å; L23-L213 HydrophobicContact CD1-CD1 3.86Å; L23-L213 PolarHBondContact N-O 3.49Å; L126-L213 HydrophobicContact CB-CD1 3.98Å; Y127-L213 HydrophobicContact CD1-CD2 4.33Å; Y127-L213 HydrophobicContact CD1-CG 4.3Å; Y127-L213 HydrophobicContact CD2-CD1 4.33Å; Y127-L213 HydrophobicContact CD2-CD2 3.63Å; Y127-L213 HydrophobicContact CD2-CG 4.06Å; Y127-L213 HydrophobicContact CE1-CD2 4.46Å; Y127-L213 HydrophobicContact CE2-CD2 3.75Å; Y127-L213 HydrophobicContact CG-CD1 4.28Å; Y127-L213 HydrophobicContact CG-CD2 3.93Å; Y127-L213 HydrophobicContact CG-CG 3.88Å; S210-L213 WeakPolarHBondContact O-CB 3.49Å; L211-L213 PolarHBondContact O-N 3.34Å; L211-L213 VanDerWaalsContact O-N 3.11Å; L213-N215 PolarHBondContact O-N 3.35Å
214L97.1Very high95.8Very high1 Ų116.7 Ų16.71%0.0058%0.083CC..PPolyproline II helixtrans-72.9118.3-179.9-68.9162.7000109.6L23 L211 S212 L233 L245 I247 Y249L23-L214 HydrophobicContact CB-CD2 4.14Å; L23-L214 HydrophobicContact CD2-CD2 3.87Å; L23-L214 HydrophobicContact CD2-CG 4.28Å; L211-L214 HydrophobicContact CB-CD1 4.28Å; L211-L214 HydrophobicContact CD2-CD1 4.17Å; L211-L214 WeakPolarHBondContact O-CB 3.34Å; L211-L214 WeakPolarHBondContact O-CD1 3.42Å; L211-L214 WeakPolarHBondContact O-CG 3.04Å; L211-L214 PolarHBondContact O-N 2.87Å; L211-L214 VanDerWaalsContact O-N 3.08Å; S212-L214 VanDerWaalsContact C-N 3.31Å; L214-L233 HydrophobicContact CD1-CD1 3.62Å; L214-L233 HydrophobicContact CD1-CD2 3.86Å; L214-L233 HydrophobicContact CD1-CG 4.34Å; L214-L233 HydrophobicContact CD2-CD1 4.47Å; L214-L233 HydrophobicContact CD2-CD2 3.81Å; L214-L233 HydrophobicContact CG-CD2 4.42Å; L214-L245 HydrophobicContact CD2-CB 3.62Å; L214-I247 HydrophobicContact CB-CD1 3.96Å; L214-I247 HydrophobicContact CB-CG1 3.95Å; L214-I247 HydrophobicContact CD1-CD1 4.18Å; L214-I247 HydrophobicContact CD1-CG2 4.01Å; L214-Y249 VanDerWaalsContact O-CE1 3.28Å; L214-Y249 WeakPolarHBondContact O-CE1 3.37Å; L214-Y249 VanDerWaalsContact O-CZ 3.3Å; L214-Y249 PolarHBondContact O-OH 3.4Å
215N97.1Very high95.6Very high19 Ų1916.6 Ų16.610%0.1028%0.082CC..EExtended strand (participates in β ladder)trans-77.8162.8177.1-76.8-45.1000112.6K19 N21 L213 E244 T246 I247 Y249K19-N215 HydrophobicContact CD-CB 4.16Å; N21-N215 PolarHBondContact O-ND2 3.17Å; L213-N215 PolarHBondContact O-N 3.35Å; N215-E244 WeakPolarHBondContact CB-OE1 3.38Å; N215-E244 PolarHBondContact ND2-OE1 3.03Å; N215-T246 WeakPolarHBondContact O-CA 3.43Å; N215-T246 WeakPolarHBondContact O-CB 3.34Å; N215-I247 PolarHBondContact O-N 3.19Å; N215-I247 VanDerWaalsContact O-N 3.09Å; N215-Y249 VanDerWaalsContact CA-OH 3.28Å; N215-Y249 WeakPolarHBondContact CA-OH 3.44Å
216H96.7Very high95.5Very high8 Ų816.2 Ų16.24%0.0378%0.079CC..EExtended strand (participates in β ladder)trans-76.1140.6175.7-177.759.2000113.2C218 I247 S248 Y249 F269H216-C218 PolarHBondContact NE2-SG 3.11Å; H216-I247 VanDerWaalsContact CA-O 3.3Å; H216-I247 WeakPolarHBondContact CA-O 3.31Å; H216-I247 PolarHBondContact ND1-O 3Å; H216-S248 PolarHBondContact CE1-OG 2.83Å; H216-Y249 HydrophobicContact CB-CD1 4.13Å; H216-Y249 HydrophobicContact CB-CD2 3.73Å; H216-Y249 HydrophobicContact CB-CE1 4.13Å; H216-Y249 HydrophobicContact CB-CE2 3.74Å; H216-Y249 HydrophobicContact CB-CG 3.92Å; H216-Y249 PolarHBondContact N-OH 3.17Å; H216-Y249 AromaticContact ND1-CG 3.93Å; H216-Y249 PolarHBondContact ND1-N 3.08Å; H216-Y249 VanDerWaalsContact ND1-N 3.15Å; H216-F269 HydrophobicContact CB-CE1 4.41Å; H216-F269 HydrophobicContact CB-CE2 4.36Å; H216-F269 HydrophobicContact CB-CZ 3.6Å; H216-F269 AromaticContact CD2-CZ 3.85Å; H216-F269 AromaticContact CG-CZ 3.96Å
217D96.3Very high95.3Very high35 Ų3519.4 Ų19.419%0.1879%0.093CC..  trans-141142.3154-161.1-64.4000109.6R219 P220 T246 I247 C273D217-R219 PolarHBondContact O-N 2.86Å; D217-R219 PolarHBondContact OD1-N 3.49Å; D217-P220 WeakPolarHBondContact O-CD 3.26Å; D217-T246 HydrophobicContact CB-CG2 4.14Å; D217-I247 PolarHBondContact N-O 2.71Å; D217-C273 WeakPolarHBondContact OD1-CB 3.27Å; D217-C273 WeakPolarHBondContact OD2-CB 3.49Å
218C94Very high95.1Very high4 Ų420.6 Ų20.63%0.02711%0.106CC..SBendtrans-73.2-10.9176.4-56.40000113.1H216 C273 R275H216-C218 PolarHBondContact NE2-SG 3.11Å; C218-C273 VanDerWaalsContact SG-SG 3.68Å; C218-R275 HydrophobicContact CB-CB 4.24Å
219R92.4Very high95Very high134 Ų13423 Ų2351%0.50612%0.117SC..SBendtrans-129.971169.5-72.7-173.8172-154.5-6108.9D217 R275 E281D217-R219 PolarHBondContact O-N 2.86Å; D217-R219 PolarHBondContact OD1-N 3.49Å; R219-R275 HydrophobicContact CG-CB 4.36Å; R219-E281 IonicContact CZ-OE1 2.76Å; R219-E281 IonicContact NE-OE1 2.68Å; R219-E281 PolarHBondContact NE-OE1 2.66Å; R219-E281 VanDerWaalsContact NE-OE1 3.12Å; R219-E281 IonicContact NH2-OE1 3.14Å; R219-E281 PolarHBondContact NH2-OE1 3.13Å
220P96.1Very high95.1Very high18 Ų1826.7 Ų26.712%0.11713%0.13CC..  trans-69.2159.6-170.431.1-36.5000112.7D217 Q237 T246D217-P220 WeakPolarHBondContact O-CD 3.26Å; P220-Q237 PolarHBondContact O-NE2 3.14Å; P220-Q237 VanDerWaalsContact O-NE2 3.08Å; P220-T246 WeakPolarHBondContact CB-O 3.47Å
221N97Very high95.2Very high22 Ų2226.6 Ų26.612%0.11813%0.129CC..SBendtrans-95-8172.562.911.9000113.4V236 Q237 I239 E244 T246N221-V236 WeakPolarHBondContact O-CG2 3.32Å; N221-V236 PolarHBondContact O-N 3.13Å; N221-Q237 HydrophobicContact CB-CB 4.38Å; N221-I239 HydrophobicContact CB-CD1 4.11Å; N221-I239 HydrophobicContact CB-CG1 4.28Å; N221-E244 PolarHBondContact ND2-O 3.22Å; N221-T246 PolarHBondContact N-OG1 2.9Å; N221-T246 PolarHBondContact OD1-N 3.16Å; N221-T246 PolarHBondContact OD1-O 3.16Å
222C97.4Very high95.2Very high1 Ų127.2 Ų27.21%0.00713%0.133CC..EExtended strand (participates in β ladder)trans-127.3155.6173-65.10000112.1L233 R234 T246 I247C222-L233 HydrophobicContact CB-CD1 3.61Å; C222-L233 HydrophobicContact CB-CG 4.05Å; C222-R234 CarbonylContact C-O 3.52Å; C222-R234 VanDerWaalsContact CA-O 3.22Å; C222-R234 WeakPolarHBondContact CA-O 3.43Å; C222-T246 WeakPolarHBondContact CB-O 3.19Å; C222-T246 PolarHBondContact N-O 3.29Å; C222-I247 HydrophobicContact CB-CG2 4.13Å
223V95.9Very high95.2Very high12 Ų1226.5 Ų26.57%0.07313%0.127CC..EExtended strand (participates in β ladder)trans-123.2153.1168.1-63.90000109.9R234 V236 P377 T413V223-R234 HydrophobicContact CG2-CB 4.45Å; V223-R234 PolarHBondContact N-O 3.27Å; V223-R234 PolarHBondContact O-N 3.01Å; V223-V236 HydrophobicContact CB-CG1 4.08Å; V223-V236 HydrophobicContact CG1-CB 4.47Å; V223-V236 HydrophobicContact CG1-CG1 3.53Å; V223-V236 HydrophobicContact CG1-CG2 4.15Å; V223-V236 HydrophobicContact CG2-CG1 3.53Å; V223-P377 HydrophobicContact CB-CG 4.31Å; V223-P377 HydrophobicContact CG1-CG 4.32Å; V223-T413 HydrophobicContact CG2-CG2 4.23Å
224M94.3Very high95.2Very high43 Ų4327.6 Ų27.621%0.21213%0.131CC..EExtended strand (participates in β ladder)trans-107.1135.9174.5-57.8-180-62.600108.9F193 L231 Q232 L233 I247F193-M224 HydrophobicContact CD1-CE 3.84Å; F193-M224 HydrophobicContact CD1-SD 3.63Å; F193-M224 HydrophobicContact CE1-CE 4Å; F193-M224 HydrophobicContact CE1-SD 3.44Å; F193-M224 WeakPolarHBondContact CE1-SD 3.41Å; M224-L231 HydrophobicContact CB-CD2 4.1Å; M224-L231 HydrophobicContact CB-CG 4.5Å; M224-L231 HydrophobicContact CG-CD2 4.07Å; M224-L231 HydrophobicContact SD-CD1 4.02Å; M224-L231 HydrophobicContact SD-CD2 4.44Å; M224-Q232 WeakPolarHBondContact CA-O 2.94Å; M224-L233 HydrophobicContact CG-CD1 4Å; M224-I247 HydrophobicContact CE-CB 4.48Å; M224-I247 HydrophobicContact CE-CD1 3.52Å; M224-I247 HydrophobicContact CG-CD1 4.38Å; M224-I247 HydrophobicContact CG-CG2 3.89Å; M224-I247 HydrophobicContact SD-CD1 3.38Å; M224-I247 WeakPolarHBondContact SD-CD1 3.23Å; M224-I247 HydrophobicContact SD-CG2 4.29Å
225V93.6Very high95.2Very high1 Ų127.6 Ų27.61%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-133154.3170.4-610000108.5Q232 T413V225-Q232 HydrophobicContact CG2-CB 3.86Å; V225-Q232 PolarHBondContact N-O 2.93Å; V225-Q232 PolarHBondContact O-N 3.4Å; V225-T413 WeakPolarHBondContact CG1-O 3.39Å
226F94.6Very high95.2Very high13 Ų1327.2 Ų27.26%0.05713%0.129CC..EExtended strand (participates in β ladder)trans-115.8135.3-177.8-67.7-85.9000111.1F193 T194 I195 S196 Y208 R230 L231 H418F193-F226 HydrophobicContact CB-CZ 4.25Å; T194-F226 WeakPolarHBondContact O-CE2 3.32Å; T194-F226 WeakPolarHBondContact O-CZ 3.48Å; I195-F226 HydrophobicContact CB-CD1 4.39Å; I195-F226 HydrophobicContact CB-CE1 4.41Å; I195-F226 HydrophobicContact CG1-CD1 4.26Å; I195-F226 HydrophobicContact CG1-CE1 3.96Å; I195-F226 HydrophobicContact CG1-CZ 4.39Å; I195-F226 HydrophobicContact CG2-CB 4.24Å; I195-F226 HydrophobicContact CG2-CD1 3.92Å; I195-F226 HydrophobicContact CG2-CE1 4.43Å; I195-F226 HydrophobicContact CG2-CG 3.99Å; S196-F226 WeakPolarHBondContact O-CB 3.25Å; Y208-F226 AromaticContact CE2-CE1 3.99Å; Y208-F226 HydrophobicContact CE2-CE1 3.99Å; Y208-F226 AromaticContact CZ-CE1 3.78Å; Y208-F226 WeakPolarHBondContact OH-CE1 3.39Å; F226-R230 WeakPolarHBondContact CA-O 3.45Å; F226-L231 HydrophobicContact CD1-CB 4.11Å; F226-L231 HydrophobicContact CD1-CG 4.32Å; F226-L231 HydrophobicContact CE1-CB 3.77Å; F226-L231 HydrophobicContact CE1-CD1 3.9Å; F226-L231 HydrophobicContact CE1-CG 3.72Å; F226-L231 HydrophobicContact CZ-CD1 3.96Å; F226-L231 HydrophobicContact CZ-CG 4.02Å; F226-H418 PolarHBondContact O-NE2 2.96Å
227E92.5Very high95.1Very high66 Ų6631.3 Ų31.331%0.30815%0.149SC..EExtended strand (participates in β ladder)trans-112.295.3166.9-172.2-173.816500108.3E229 R230 Q232 P419E227-E229 PolarHBondContact O-N 2.88Å; E227-R230 PolarHBondContact N-O 3.48Å; E227-R230 WeakPolarHBondContact O-CB 3.39Å; E227-R230 PolarHBondContact O-N 3.03Å; E227-R230 IonicContact OE1-NH2 3.3Å; E227-R230 IonicContact OE2-CZ 2.61Å; E227-R230 IonicContact OE2-NE 3.12Å; E227-R230 IonicContact OE2-NH2 3.68Å; E227-R230 PolarHBondContact OE2-NH2 3.02Å; E227-Q232 PolarHBondContact OE2-NE2 3.4Å; E227-Q232 VanDerWaalsContact OE2-NE2 3.13Å; E227-P419 HydrophobicContact CG-CG 4.39Å
228G93.1Very high95.1Very high26 Ų2633.8 Ų33.827%0.26816%0.162SC..THydrogen-bonded Turntrans65.7-118.6-165.200000110.1C57 I195C57-G228 VanDerWaalsContact O-CA 3.3Å; C57-G228 WeakPolarHBondContact O-CA 3.22Å; I195-G228 WeakPolarHBondContact CG2-O 3.4Å
229E94.3Very high95.3Very high51 Ų5133.7 Ų33.724%0.23816%0.161CC..THydrogen-bonded Turntrans-97.1-0.5172.369.2-176.5168.500113.5P40 S43 F58 I195 Y208 E227P40-E229 WeakPolarHBondContact CD-O 3.31Å; P40-E229 HydrophobicContact CG-CB 4.14Å; P40-E229 HydrophobicContact CG-CG 3.98Å; S43-E229 WeakPolarHBondContact CB-OE2 3.36Å; S43-E229 PolarHBondContact OG-OE2 3.25Å; F58-E229 HydrophobicContact CD2-CB 3.79Å; F58-E229 HydrophobicContact CE2-CB 3.69Å; F58-E229 HydrophobicContact CE2-CG 4.36Å; F58-E229 WeakPolarHBondContact CE2-OE2 3.49Å; F58-E229 HydrophobicContact CG-CB 4.42Å; F58-E229 HydrophobicContact CZ-CB 4.22Å; I195-E229 HydrophobicContact CD1-CB 4.32Å; Y208-E229 WeakPolarHBondContact CE1-O 3.36Å; Y208-E229 PolarHBondContact OH-O 3.44Å; E227-E229 PolarHBondContact O-N 2.88Å
230R95Very high95.6Very high84 Ų8436 Ų3632%0.31717%0.17SC..EExtended strand (participates in β ladder)trans-83.1123-179.4-175.7171.967166.5-2.2110.2S37 E39 F226 E227S37-R230 WeakPolarHBondContact OG-CD 3.41Å; S37-R230 WeakPolarHBondContact OG-CG 3.23Å; E39-R230 VanDerWaalsContact OE1-CD 3.29Å; E39-R230 WeakPolarHBondContact OE1-CD 3.49Å; F226-R230 WeakPolarHBondContact CA-O 3.45Å; E227-R230 PolarHBondContact N-O 3.48Å; E227-R230 WeakPolarHBondContact O-CB 3.39Å; E227-R230 PolarHBondContact O-N 3.03Å; E227-R230 IonicContact OE1-NH2 3.3Å; E227-R230 IonicContact OE2-CZ 2.61Å; E227-R230 IonicContact OE2-NE 3.12Å; E227-R230 IonicContact OE2-NH2 3.68Å; E227-R230 PolarHBondContact OE2-NH2 3.02Å
231L95.2Very high95.7Very high0 Ų038.2 Ų38.20%018%0.184CC..EExtended strand (participates in β ladder)trans-83.1131.2175.7-162.7167.4000109.7S37 A38 F193 Y208 L211 M224 F226 L233S37-L231 VanDerWaalsContact CA-O 3.23Å; S37-L231 WeakPolarHBondContact CA-O 3.35Å; S37-L231 PolarHBondContact OG-O 3.35Å; A38-L231 PolarHBondContact N-O 2.82Å; A38-L231 PolarHBondContact O-N 3.4Å; F193-L231 HydrophobicContact CD1-CD1 4.12Å; F193-L231 HydrophobicContact CE1-CD1 4.4Å; F193-L231 HydrophobicContact CG-CD1 4.31Å; Y208-L231 HydrophobicContact CD1-CB 3.82Å; Y208-L231 HydrophobicContact CD1-CD1 4.3Å; Y208-L231 HydrophobicContact CD2-CD1 4.01Å; Y208-L231 HydrophobicContact CE1-CB 3.67Å; Y208-L231 HydrophobicContact CE2-CD1 4.3Å; Y208-L231 HydrophobicContact CG-CB 4.39Å; Y208-L231 HydrophobicContact CG-CD1 4.02Å; L211-L231 HydrophobicContact CD1-CB 4.07Å; L211-L231 HydrophobicContact CD1-CD1 3.77Å; L211-L231 HydrophobicContact CD1-CD2 3.46Å; L211-L231 VanDerWaalsContact CD1-CD2 3.46Å; L211-L231 HydrophobicContact CD1-CG 3.94Å; M224-L231 HydrophobicContact CB-CD2 4.1Å; M224-L231 HydrophobicContact CB-CG 4.5Å; M224-L231 HydrophobicContact CG-CD2 4.07Å; M224-L231 HydrophobicContact SD-CD1 4.02Å; M224-L231 HydrophobicContact SD-CD2 4.44Å; F226-L231 HydrophobicContact CD1-CB 4.11Å; F226-L231 HydrophobicContact CD1-CG 4.32Å; F226-L231 HydrophobicContact CE1-CB 3.77Å; F226-L231 HydrophobicContact CE1-CD1 3.9Å; F226-L231 HydrophobicContact CE1-CG 3.72Å; F226-L231 HydrophobicContact CZ-CD1 3.96Å; F226-L231 HydrophobicContact CZ-CG 4.02Å; L231-L233 HydrophobicContact CD2-CB 4.49Å
232Q95.1Very high95.7Very high14 Ų1444.7 Ų44.77%0.06521%0.211CC..EExtended strand (participates in β ladder)trans-115.6123168.6-61.6-171.55.700110.2L34 M224 V225 E227L34-Q232 HydrophobicContact CD1-CB 3.85Å; L34-Q232 HydrophobicContact CD1-CG 4.26Å; M224-Q232 WeakPolarHBondContact CA-O 2.94Å; V225-Q232 HydrophobicContact CG2-CB 3.86Å; V225-Q232 PolarHBondContact N-O 2.93Å; V225-Q232 PolarHBondContact O-N 3.4Å; E227-Q232 PolarHBondContact OE2-NE2 3.4Å; E227-Q232 VanDerWaalsContact OE2-NE2 3.13Å
233L96.2Very high95.7Very high0 Ų047.8 Ų47.80%023%0.228CC..EExtended strand (participates in β ladder)trans-96.2121.6174.4-174.673.6000109.2V35 A36 L211 L214 C222 M224 L231 I247V35-L233 HydrophobicContact CB-CB 4.39Å; V35-L233 HydrophobicContact CB-CD2 3.97Å; V35-L233 HydrophobicContact CB-CG 4.16Å; V35-L233 WeakPolarHBondContact CB-O 3.26Å; V35-L233 HydrophobicContact CG1-CD2 3.85Å; V35-L233 PolarHBondContact N-O 3.5Å; A36-L233 HydrophobicContact CB-CB 4.35Å; A36-L233 PolarHBondContact N-O 3.46Å; A36-L233 PolarHBondContact O-N 3.21Å; L211-L233 HydrophobicContact CD2-CD2 4.47Å; L214-L233 HydrophobicContact CD1-CD1 3.62Å; L214-L233 HydrophobicContact CD1-CD2 3.86Å; L214-L233 HydrophobicContact CD1-CG 4.34Å; L214-L233 HydrophobicContact CD2-CD1 4.47Å; L214-L233 HydrophobicContact CD2-CD2 3.81Å; L214-L233 HydrophobicContact CG-CD2 4.42Å; C222-L233 HydrophobicContact CB-CD1 3.61Å; C222-L233 HydrophobicContact CB-CG 4.05Å; M224-L233 HydrophobicContact CG-CD1 4Å; L231-L233 HydrophobicContact CD2-CB 4.49Å; L233-I247 HydrophobicContact CD1-CG2 3.69Å
234R96.1Very high95.8Very high28 Ų2849.1 Ų49.111%0.10623%0.233CC..EExtended strand (participates in β ladder)trans-124.3139.4-179.3-77.4172.3176.8-82.20.5111.7G32 Q33 L34 C222 V223 T413 H414 G415G32-R234 PolarHBondContact O-NH1 3.42Å; Q33-R234 WeakPolarHBondContact O-CA 3.48Å; L34-R234 HydrophobicContact CD1-CG 4.04Å; C222-R234 CarbonylContact C-O 3.52Å; C222-R234 VanDerWaalsContact CA-O 3.22Å; C222-R234 WeakPolarHBondContact CA-O 3.43Å; V223-R234 HydrophobicContact CG2-CB 4.45Å; V223-R234 PolarHBondContact N-O 3.27Å; V223-R234 PolarHBondContact O-N 3.01Å; R234-T413 WeakPolarHBondContact CD-O 3.43Å; R234-H414 VanDerWaalsContact NE-C 3.28Å; R234-H414 PolarHBondContact NE-O 3.12Å; R234-H414 PolarHBondContact NH2-O 3.38Å; R234-G415 VanDerWaalsContact CZ-CA 3.48Å
235A96.9Very high96Very high0 Ų047.1 Ų47.10%022%0.223CC..EExtended strand (participates in β ladder)trans-74.3131.4177.100000110.3I29 G32 Q33 V35 I239I29-A235 HydrophobicContact CG2-CB 3.67Å; G32-A235 WeakPolarHBondContact CA-O 3.44Å; G32-A235 PolarHBondContact N-O 3.47Å; Q33-A235 PolarHBondContact O-N 2.75Å; V35-A235 HydrophobicContact CG2-CB 3.97Å; A235-I239 HydrophobicContact CB-CD1 3.81Å; A235-I239 HydrophobicContact CB-CG1 4.43Å
236V95.8Very high96.2Very high11 Ų1147.5 Ų47.57%0.06723%0.225CC..SBendtrans-104.90.2174.4-67.80000112.7R31 N221 V223 P375 T413R31-V236 WeakPolarHBondContact CG-O 3.38Å; N221-V236 WeakPolarHBondContact O-CG2 3.32Å; N221-V236 PolarHBondContact O-N 3.13Å; V223-V236 HydrophobicContact CB-CG1 4.08Å; V223-V236 HydrophobicContact CG1-CB 4.47Å; V223-V236 HydrophobicContact CG1-CG1 3.53Å; V223-V236 HydrophobicContact CG1-CG2 4.15Å; V223-V236 HydrophobicContact CG2-CG1 3.53Å; V236-P375 HydrophobicContact CB-CG 3.93Å; V236-P375 HydrophobicContact CG1-CG 4.06Å; V236-P375 WeakPolarHBondContact CG1-O 3.44Å; V236-P375 WeakPolarHBondContact O-CD 3.49Å; V236-T413 HydrophobicContact CG1-CG2 4.31Å
237Q95.7Very high96.3Very high95 Ų9547 Ų4744%0.44422%0.223SC..SBendtrans-138.7166.5173.9-57.6-178.140.400109.8R31 P220 N221R31-Q237 WeakPolarHBondContact CA-O 3.32Å; R31-Q237 PolarHBondContact N-O 3.08Å; P220-Q237 PolarHBondContact O-NE2 3.14Å; P220-Q237 VanDerWaalsContact O-NE2 3.08Å; N221-Q237 HydrophobicContact CB-CB 4.38Å
238D97.1Very high96.4Very high86 Ų8645.1 Ų45.146%0.4622%0.218SC..  trans-73.3127167.4-97.619.4000108.9R28 R30 R31R28-D238 IonicContact CZ-OD2 3.87Å; R28-D238 IonicContact NE-OD2 3.6Å; R28-D238 IonicContact NH2-OD2 2.89Å; R28-D238 PolarHBondContact NH2-OD2 3.08Å; R30-D238 WeakPolarHBondContact CA-OD1 3.28Å; R31-D238 PolarHBondContact N-OD1 3.41Å
239I98.1Very high96.5Very high2 Ų246.7 Ų46.71%0.0122%0.216CC..BIsolated β-bridgetrans-117.8129.2-175.1-51.3176.3000109A25 R28 I29 N221 A235 D243 L245A25-I239 HydrophobicContact CB-CG2 3.93Å; R28-I239 WeakPolarHBondContact CA-O 3.28Å; I29-I239 HydrophobicContact CB-CB 4.18Å; I29-I239 PolarHBondContact N-O 2.88Å; I29-I239 PolarHBondContact O-N 3.21Å; N221-I239 HydrophobicContact CB-CD1 4.11Å; N221-I239 HydrophobicContact CB-CG1 4.28Å; A235-I239 HydrophobicContact CB-CD1 3.81Å; A235-I239 HydrophobicContact CB-CG1 4.43Å; I239-D243 HydrophobicContact CG2-CB 3.64Å; I239-L245 HydrophobicContact CD1-CD2 3.57Å; I239-L245 HydrophobicContact CG2-CD2 3.87Å
240R98.2Very high96.4Very high183 Ų18345 Ų4569%0.69121%0.208SC*.  trans-88.9156.9-179.7-56.6176.4-178.9-178.51110.2K242 D243R240-K242 PolarHBondContact O-N 2.98Å; R240-D243 WeakPolarHBondContact CA-OD2 3.49Å; R240-D243 VanDerWaalsContact CB-OD2 3.27Å; R240-D243 WeakPolarHBondContact CB-OD2 3.34Å; R240-D243 PolarHBondContact N-OD2 3.2Å; R240-D243 WeakPolarHBondContact O-CB 3.31Å; R240-D243 PolarHBondContact O-N 2.83Å; R240-D243 VanDerWaalsContact O-N 3.11Å
241P97.4Very high96.2Very high65 Ų6545.1 Ų45.142%0.42221%0.213SC..THydrogen-bonded Turntrans-52.5136.6169.5-2231000110.8D243P241-D243 VanDerWaalsContact C-N 3.29Å; P241-D243 PolarHBondContact O-N 2.93Å
242K96.7Very high95.8Very high158 Ų15845.7 Ų45.769%0.68722%0.216SC*.THydrogen-bonded Turntrans76.2-5.3-176.8-50.4175.7179.9178.60116.4A25 R240A25-K242 WeakPolarHBondContact O-CA 3.45Å; A25-K242 PolarHBondContact O-N 3.2Å; R240-K242 PolarHBondContact O-N 2.98Å
243D97.7Very high95.7Very high65 Ų6545.6 Ų45.635%0.34822%0.216SC..PPolyproline II helixtrans-65.2137171.8-68.6-11.6000109.8R24 A25 I239 R240 P241R24-D243 VanDerWaalsContact CA-O 3.25Å; R24-D243 WeakPolarHBondContact CA-O 3.34Å; R24-D243 VanDerWaalsContact CB-O 3.25Å; R24-D243 WeakPolarHBondContact CB-O 3.24Å; A25-D243 PolarHBondContact N-O 2.88Å; I239-D243 HydrophobicContact CG2-CB 3.64Å; R240-D243 WeakPolarHBondContact CA-OD2 3.49Å; R240-D243 VanDerWaalsContact CB-OD2 3.27Å; R240-D243 WeakPolarHBondContact CB-OD2 3.34Å; R240-D243 PolarHBondContact N-OD2 3.2Å; R240-D243 WeakPolarHBondContact O-CB 3.31Å; R240-D243 PolarHBondContact O-N 2.83Å; R240-D243 VanDerWaalsContact O-N 3.11Å; P241-D243 VanDerWaalsContact C-N 3.29Å; P241-D243 PolarHBondContact O-N 2.93Å
244E97.9Very high95.5Very high41 Ų4146 Ų4619%0.19222%0.219CC..BIsolated β-bridgetrans-63.4137.9172.3-178.1176.3-143.900109.8F14 C16 K19 N215 N221 T246F14-E244 HydrophobicContact CE1-CB 4.4Å; F14-E244 HydrophobicContact CE1-CG 4.14Å; F14-E244 HydrophobicContact CZ-CB 4Å; F14-E244 HydrophobicContact CZ-CG 3.93Å; C16-E244 PolarHBondContact SG-OE1 3.49Å; K19-E244 IonicContact NZ-OE1 2.71Å; K19-E244 IonicContact NZ-OE2 3.61Å; K19-E244 PolarHBondContact NZ-OE2 2.83Å; N215-E244 WeakPolarHBondContact CB-OE1 3.38Å; N215-E244 PolarHBondContact ND2-OE1 3.03Å; N221-E244 PolarHBondContact ND2-O 3.22Å; E244-T246 HydrophobicContact CG-CG2 3.87Å
245L98.1Very high95.3Very high0 Ų045.5 Ų45.50%022%0.218CC..PPolyproline II helixtrans-93.7125.4172.5-58.6178.9000109V11 L23 A25 I29 V35 L214 I239V11-L245 HydrophobicContact CB-CD1 4.19Å; V11-L245 HydrophobicContact CG1-CD1 3.35Å; L23-L245 HydrophobicContact CB-CB 4.49Å; L23-L245 HydrophobicContact CD2-CD1 4.02Å; L23-L245 HydrophobicContact CG-CD1 4.26Å; L23-L245 PolarHBondContact O-N 2.82Å; A25-L245 HydrophobicContact CB-CD2 4.36Å; I29-L245 HydrophobicContact CD1-CD2 4.47Å; V35-L245 HydrophobicContact CG1-CD1 3.86Å; L214-L245 HydrophobicContact CD2-CB 3.62Å; I239-L245 HydrophobicContact CD1-CD2 3.57Å; I239-L245 HydrophobicContact CG2-CD2 3.87Å
246T97.9Very high95.3Very high9 Ų945.7 Ų45.76%0.05522%0.219CC..EExtended strand (participates in β ladder)trans-130.1152.6-176.858.90000111.9N215 D217 P220 N221 C222 E244N215-T246 WeakPolarHBondContact O-CA 3.43Å; N215-T246 WeakPolarHBondContact O-CB 3.34Å; D217-T246 HydrophobicContact CB-CG2 4.14Å; P220-T246 WeakPolarHBondContact CB-O 3.47Å; N221-T246 PolarHBondContact N-OG1 2.9Å; N221-T246 PolarHBondContact OD1-N 3.16Å; N221-T246 PolarHBondContact OD1-O 3.16Å; C222-T246 WeakPolarHBondContact CB-O 3.19Å; C222-T246 PolarHBondContact N-O 3.29Å; E244-T246 HydrophobicContact CG-CG2 3.87Å
247I97.1Very high95.2Very high2 Ų252.9 Ų52.91%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-129.6164.117556171.3000109.1F193 L214 N215 H216 D217 C222 M224 L233 Y249F193-I247 HydrophobicContact CE1-CD1 3.95Å; L214-I247 HydrophobicContact CB-CD1 3.96Å; L214-I247 HydrophobicContact CB-CG1 3.95Å; L214-I247 HydrophobicContact CD1-CD1 4.18Å; L214-I247 HydrophobicContact CD1-CG2 4.01Å; N215-I247 PolarHBondContact O-N 3.19Å; N215-I247 VanDerWaalsContact O-N 3.09Å; H216-I247 VanDerWaalsContact CA-O 3.3Å; H216-I247 WeakPolarHBondContact CA-O 3.31Å; H216-I247 PolarHBondContact ND1-O 3Å; D217-I247 PolarHBondContact N-O 2.71Å; C222-I247 HydrophobicContact CB-CG2 4.13Å; M224-I247 HydrophobicContact CE-CB 4.48Å; M224-I247 HydrophobicContact CE-CD1 3.52Å; M224-I247 HydrophobicContact CG-CD1 4.38Å; M224-I247 HydrophobicContact CG-CG2 3.89Å; M224-I247 HydrophobicContact SD-CD1 3.38Å; M224-I247 WeakPolarHBondContact SD-CD1 3.23Å; M224-I247 HydrophobicContact SD-CG2 4.29Å; L233-I247 HydrophobicContact CD1-CG2 3.69Å; I247-Y249 HydrophobicContact CD1-CD1 3.9Å; I247-Y249 HydrophobicContact CD1-CE1 3.74Å; I247-Y249 HydrophobicContact CG1-CD1 3.78Å; I247-Y249 HydrophobicContact CG1-CE1 3.6Å
248S95.3Very high95.1Very high27 Ų2751.1 Ų51.119%0.18924%0.244CC..  trans-84.9134.9163.7-168.70000109.6H216 I250 T252H216-S248 PolarHBondContact CE1-OG 2.83Å; S248-I250 PolarHBondContact OG-N 2.93Å; S248-I250 PolarHBondContact OG-O 3.19Å; S248-T252 WeakPolarHBondContact OG-CG2 3.21Å
249Y94.6Very high95.1Very high59 Ų5947 Ų4723%0.23122%0.222CC..SBendtrans-91.1-14.3175-68.1-2.3000112.4L214 N215 H216 I247 Y267 F269L214-Y249 VanDerWaalsContact O-CE1 3.28Å; L214-Y249 WeakPolarHBondContact O-CE1 3.37Å; L214-Y249 VanDerWaalsContact O-CZ 3.3Å; L214-Y249 PolarHBondContact O-OH 3.4Å; N215-Y249 VanDerWaalsContact CA-OH 3.28Å; N215-Y249 WeakPolarHBondContact CA-OH 3.44Å; H216-Y249 HydrophobicContact CB-CD1 4.13Å; H216-Y249 HydrophobicContact CB-CD2 3.73Å; H216-Y249 HydrophobicContact CB-CE1 4.13Å; H216-Y249 HydrophobicContact CB-CE2 3.74Å; H216-Y249 HydrophobicContact CB-CG 3.92Å; H216-Y249 PolarHBondContact N-OH 3.17Å; H216-Y249 AromaticContact ND1-CG 3.93Å; H216-Y249 PolarHBondContact ND1-N 3.08Å; H216-Y249 VanDerWaalsContact ND1-N 3.15Å; I247-Y249 HydrophobicContact CD1-CD1 3.9Å; I247-Y249 HydrophobicContact CD1-CE1 3.74Å; I247-Y249 HydrophobicContact CG1-CD1 3.78Å; I247-Y249 HydrophobicContact CG1-CE1 3.6Å; Y249-Y267 AromaticContact CD2-CD1 3.8Å; Y249-Y267 HydrophobicContact CD2-CD1 3.8Å; Y249-Y267 AromaticContact CD2-CD2 3.95Å; Y249-Y267 HydrophobicContact CD2-CD2 3.95Å; Y249-Y267 AromaticContact CD2-CE1 3.75Å; Y249-Y267 HydrophobicContact CD2-CE1 3.75Å; Y249-Y267 AromaticContact CD2-CE2 3.9Å; Y249-Y267 HydrophobicContact CD2-CE2 3.9Å; Y249-Y267 AromaticContact CD2-CG 3.89Å; Y249-Y267 HydrophobicContact CD2-CG 3.89Å; Y249-Y267 AromaticContact CD2-CZ 3.8Å; Y249-Y267 HydrophobicContact CE2-CD1 4.08Å; Y249-Y267 HydrophobicContact CE2-CE1 4.27Å; Y249-Y267 HydrophobicContact CE2-CG 4.38Å; Y249-Y267 HydrophobicContact CG-CE1 4.35Å; Y249-Y267 HydrophobicContact CG-CE2 4.29Å; Y249-Y267 PolarHBondContact O-OH 3.33Å; Y249-F269 HydrophobicContact CD2-CE1 4.36Å; Y249-F269 HydrophobicContact CE2-CE1 4.3Å
250I93.1Very high95Very high16 Ų1648.6 Ų48.68%0.08223%0.229CC..SBendtrans-135.8165.8-168.559.6163.9000109.4S248 T252 R259 Q262 L263 Y267S248-I250 PolarHBondContact OG-N 2.93Å; S248-I250 PolarHBondContact OG-O 3.19Å; I250-T252 PolarHBondContact O-N 3.24Å; I250-R259 HydrophobicContact CD1-CB 3.59Å; I250-R259 HydrophobicContact CD1-CG 3.74Å; I250-Q262 HydrophobicContact CG2-CB 4.44Å; I250-Q262 HydrophobicContact CG2-CG 3.78Å; I250-L263 HydrophobicContact CD1-CD1 4.16Å; I250-L263 HydrophobicContact CD1-CD2 4.14Å; I250-L263 HydrophobicContact CD1-CG 3.91Å; I250-L263 HydrophobicContact CG1-CD2 4.24Å; I250-L263 HydrophobicContact CG2-CD2 3.8Å; I250-L263 HydrophobicContact CG2-CG 4.45Å; I250-Y267 HydrophobicContact CG2-CE2 4.21Å
251E89.6Confident94.9Very high87 Ų8745.7 Ų45.741%0.40722%0.222SC..  trans-63.5129.2166.3-177.547.4-101.700109.4L253 Y372E251-L253 PolarHBondContact OE1-N 3.47Å; E251-Y372 WeakPolarHBondContact OE1-CE1 3.39Å; E251-Y372 PolarHBondContact OE1-OH 3.32Å; E251-Y372 PolarHBondContact OE2-OH 3.02Å
252T88.2Confident94.8Very high11 Ų1146 Ų467%0.06722%0.217CC..SBendtrans-91.4-20.5-175.3620000112.1S248 I250 S254 R275 Y372S248-T252 WeakPolarHBondContact OG-CG2 3.21Å; I250-T252 PolarHBondContact O-N 3.24Å; T252-S254 VanDerWaalsContact C-N 3.25Å; T252-S254 PolarHBondContact O-N 2.95Å; T252-R275 PolarHBondContact O-NH1 3.4Å; T252-R275 PolarHBondContact O-NH2 2.95Å; T252-Y372 WeakPolarHBondContact OG1-CE1 3.36Å
253L91.3Very high94.7Very high13 Ų1338.4 Ų38.47%0.06819%0.185CC..SBendtrans-79.772.3174-177.756.6000111.5E251 L335 L338 R339 F371 Y372E251-L253 PolarHBondContact OE1-N 3.47Å; L253-L335 HydrophobicContact CD1-CD1 3.94Å; L253-L335 HydrophobicContact CG-CD1 3.78Å; L253-L335 WeakPolarHBondContact O-CD1 3.21Å; L253-L338 HydrophobicContact CD1-CD2 4.48Å; L253-L338 HydrophobicContact CD2-CD2 3.41Å; L253-L338 VanDerWaalsContact CD2-CD2 3.41Å; L253-L338 HydrophobicContact CG-CD2 4.42Å; L253-R339 PolarHBondContact O-NH2 2.89Å; L253-F371 HydrophobicContact CD1-CB 3.71Å; L253-F371 HydrophobicContact CD1-CD1 4.37Å; L253-F371 HydrophobicContact CD1-CD2 3.39Å; L253-F371 HydrophobicContact CD1-CE2 4.09Å; L253-F371 HydrophobicContact CD1-CG 3.57Å; L253-Y372 HydrophobicContact CB-CE1 4.32Å; L253-Y372 HydrophobicContact CB-CE2 4.18Å; L253-Y372 WeakPolarHBondContact CB-OH 3.43Å; L253-Y372 HydrophobicContact CD2-CE2 3.82Å
254S92.3Very high94.5Very high9 Ų940.8 Ų40.86%0.06319%0.194CC..SBendtrans-160.1161.5-177.2169.60000109T252 E258 R259T252-S254 VanDerWaalsContact C-N 3.25Å; T252-S254 PolarHBondContact O-N 2.95Å; S254-E258 WeakPolarHBondContact OG-CB 3.39Å; S254-E258 PolarHBondContact OG-OE2 2.53Å; S254-R259 PolarHBondContact O-NH1 2.91Å
255L93.6Very high94.1Very high17 Ų1743.8 Ų43.89%0.08921%0.207CC..  trans-66.8155.9179.4-60.9176.2000111.8E257 E258 R259 D282 I285 L286 L335L255-E257 VanDerWaalsContact C-N 3.26Å; L255-E257 PolarHBondContact O-N 2.64Å; L255-E258 HydrophobicContact CB-CB 4.43Å; L255-E258 HydrophobicContact CB-CG 4.22Å; L255-E258 PolarHBondContact N-OE2 3.15Å; L255-E258 PolarHBondContact O-N 3Å; L255-R259 WeakPolarHBondContact O-CG 3.44Å; L255-R259 PolarHBondContact O-N 3.39Å; L255-D282 HydrophobicContact CD2-CB 4.28Å; L255-I285 HydrophobicContact CD2-CB 4.41Å; L255-I285 HydrophobicContact CD2-CG2 3.75Å; L255-L286 HydrophobicContact CD1-CD1 4.14Å; L255-L286 HydrophobicContact CD1-CD2 4.32Å; L255-L286 HydrophobicContact CD2-CD1 3.8Å; L255-L286 HydrophobicContact CD2-CD2 3.93Å; L255-L286 HydrophobicContact CD2-CG 3.67Å; L255-L335 HydrophobicContact CG-CD2 4.26Å
256T94.9Very high93.7Very high4 Ų447.4 Ų47.43%0.02522%0.224CC..Hα-helixtrans-59.2-39.7179.8-61.50000112R259 Q260 C276 K279 D282T256-R259 PolarHBondContact O-N 3.43Å; T256-R259 PolarHBondContact OG1-NH2 3.07Å; T256-Q260 HydrophobicContact CG2-CG 4.32Å; T256-Q260 WeakPolarHBondContact O-CG 3.23Å; T256-Q260 PolarHBondContact O-N 3.32Å; T256-C276 HydrophobicContact CG2-CB 4.07Å; T256-K279 HydrophobicContact CG2-CG 4.37Å; T256-D282 WeakPolarHBondContact CB-OD2 3.28Å; T256-D282 PolarHBondContact N-OD1 2.93Å; T256-D282 PolarHBondContact N-OD2 2.55Å; T256-D282 VanDerWaalsContact OG1-CG 3.28Å; T256-D282 PolarHBondContact OG1-OD1 3.3Å; T256-D282 PolarHBondContact OG1-OD2 3.4Å
257E94.4Very high93.4Very high161 Ų16148.6 Ų48.675%0.75223%0.228SC*.Hα-helixtrans-62.5-46.4176.6-174.2-179.8173.700112.6L255 R259 Q260 K261L255-E257 VanDerWaalsContact C-N 3.26Å; L255-E257 PolarHBondContact O-N 2.64Å; E257-R259 PolarHBondContact O-N 3.27Å; E257-Q260 PolarHBondContact O-N 3.47Å; E257-K261 WeakPolarHBondContact O-CB 3.32Å; E257-K261 PolarHBondContact O-N 3.44Å
258E94.4Very high93Very high59 Ų5950.5 Ų50.528%0.27624%0.237SC..Hα-helixtrans-61.5-44.1177.9-70175.2177.700111.4S254 L255 K261 Q262 R339S254-E258 WeakPolarHBondContact OG-CB 3.39Å; S254-E258 PolarHBondContact OG-OE2 2.53Å; L255-E258 HydrophobicContact CB-CB 4.43Å; L255-E258 HydrophobicContact CB-CG 4.22Å; L255-E258 PolarHBondContact N-OE2 3.15Å; L255-E258 PolarHBondContact O-N 3Å; E258-K261 PolarHBondContact O-N 2.63Å; E258-Q262 PolarHBondContact O-N 3.44Å; E258-R339 IonicContact OE2-NH2 2.8Å
259R95.9Very high92.9Very high0 Ų052.4 Ų52.40%024%0.242CC..Hα-helixtrans-61.3-46175.1-66.3-165.9-44-83.3-5.4111.9I250 S254 L255 T256 E257 Q262 L263 C276 D282I250-R259 HydrophobicContact CD1-CB 3.59Å; I250-R259 HydrophobicContact CD1-CG 3.74Å; S254-R259 PolarHBondContact O-NH1 2.91Å; L255-R259 WeakPolarHBondContact O-CG 3.44Å; L255-R259 PolarHBondContact O-N 3.39Å; T256-R259 PolarHBondContact O-N 3.43Å; T256-R259 PolarHBondContact OG1-NH2 3.07Å; E257-R259 PolarHBondContact O-N 3.27Å; R259-Q262 PolarHBondContact O-N 2.98Å; R259-L263 WeakPolarHBondContact O-CB 3.42Å; R259-L263 VanDerWaalsContact O-CG 3.24Å; R259-L263 WeakPolarHBondContact O-CG 3.37Å; R259-L263 PolarHBondContact O-N 2.93Å; R259-C276 PolarHBondContact NH2-SG 2.91Å; R259-C276 VanDerWaalsContact NH2-SG 3.44Å; R259-D282 IonicContact NH1-OD1 3.28Å
260Q96.5Very high93Very high34 Ų3453.1 Ų53.116%0.15925%0.252CS..Hα-helixtrans-61.9-44.7178-69.6-68.80.200111.4T256 E257 Q262 L263 E264 C271T256-Q260 HydrophobicContact CG2-CG 4.32Å; T256-Q260 WeakPolarHBondContact O-CG 3.23Å; T256-Q260 PolarHBondContact O-N 3.32Å; E257-Q260 PolarHBondContact O-N 3.47Å; Q260-Q262 PolarHBondContact O-N 3.5Å; Q260-L263 PolarHBondContact O-N 3Å; Q260-E264 VanDerWaalsContact O-CB 3.31Å; Q260-E264 WeakPolarHBondContact O-CB 3.45Å; Q260-E264 PolarHBondContact O-N 3.07Å; Q260-C271 PolarHBondContact NE2-O 2.99Å
261K95.9Very high93.1Very high122 Ų12252.7 Ų52.753%0.5325%0.25SS..Hα-helixtrans-58.1-48.5177.1-178.1-179.2174.9-176.10111.2E257 E258 L263 E264 E265E257-K261 WeakPolarHBondContact O-CB 3.32Å; E257-K261 PolarHBondContact O-N 3.44Å; E258-K261 PolarHBondContact O-N 2.63Å; K261-L263 PolarHBondContact O-N 3.33Å; K261-E264 PolarHBondContact O-N 2.87Å; K261-E265 WeakPolarHBondContact CE-OE1 3.49Å; K261-E265 HydrophobicContact CG-CG 4.3Å; K261-E265 IonicContact NZ-OE1 3.93Å; K261-E265 WeakPolarHBondContact O-CB 3.43Å; K261-E265 VanDerWaalsContact O-CG 3.23Å; K261-E265 WeakPolarHBondContact O-CG 3.29Å; K261-E265 PolarHBondContact O-N 3.29Å
262Q94.9Very high93.4Very high71 Ų7155.1 Ų55.133%0.33226%0.261SS..Hα-helixtrans-62.4-42.8178.5-172.8177.5-3.800112.1I250 E258 R259 Q260 E265 Q266I250-Q262 HydrophobicContact CG2-CB 4.44Å; I250-Q262 HydrophobicContact CG2-CG 3.78Å; E258-Q262 PolarHBondContact O-N 3.44Å; R259-Q262 PolarHBondContact O-N 2.98Å; Q260-Q262 PolarHBondContact O-N 3.5Å; Q262-E265 PolarHBondContact O-N 3.5Å; Q262-Q266 WeakPolarHBondContact O-CB 3.37Å; Q262-Q266 PolarHBondContact O-N 3.42Å
263L95.1Very high93.6Very high0 Ų055.1 Ų55.10%026%0.262CS..Hα-helixtrans-65.9-42.6178.6-68.3171.7000112.4I250 R259 Q260 K261 Y267 H268 F269 C271I250-L263 HydrophobicContact CD1-CD1 4.16Å; I250-L263 HydrophobicContact CD1-CD2 4.14Å; I250-L263 HydrophobicContact CD1-CG 3.91Å; I250-L263 HydrophobicContact CG1-CD2 4.24Å; I250-L263 HydrophobicContact CG2-CD2 3.8Å; I250-L263 HydrophobicContact CG2-CG 4.45Å; R259-L263 WeakPolarHBondContact O-CB 3.42Å; R259-L263 VanDerWaalsContact O-CG 3.24Å; R259-L263 WeakPolarHBondContact O-CG 3.37Å; R259-L263 PolarHBondContact O-N 2.93Å; Q260-L263 PolarHBondContact O-N 3Å; K261-L263 PolarHBondContact O-N 3.33Å; L263-Y267 HydrophobicContact CD2-CD2 3.91Å; L263-Y267 HydrophobicContact CD2-CE2 4.35Å; L263-Y267 CarbonylContact O-C 3.58Å; L263-Y267 VanDerWaalsContact O-CA 3.28Å; L263-Y267 WeakPolarHBondContact O-CA 3.46Å; L263-Y267 WeakPolarHBondContact O-CB 3.37Å; L263-Y267 PolarHBondContact O-N 2.85Å; L263-H268 PolarHBondContact O-N 3.47Å; L263-F269 HydrophobicContact CB-CE1 4.32Å; L263-F269 HydrophobicContact CB-CZ 4.15Å; L263-F269 HydrophobicContact CD1-CE2 4.19Å; L263-F269 HydrophobicContact CD1-CZ 4.01Å; L263-F269 HydrophobicContact CD2-CE1 4.03Å; L263-F269 HydrophobicContact CD2-CZ 3.71Å; L263-F269 HydrophobicContact CG-CZ 4.16Å; L263-C271 HydrophobicContact CD1-CB 3.67Å
264E93.7Very high93.7Very high115 Ų11561.7 Ų61.754%0.53729%0.292SS..Hα-helixtrans-67.1-39.3176-175.2175-162.800111.3Q260 K261 H268 F269Q260-E264 VanDerWaalsContact O-CB 3.31Å; Q260-E264 WeakPolarHBondContact O-CB 3.45Å; Q260-E264 PolarHBondContact O-N 3.07Å; K261-E264 PolarHBondContact O-N 2.87Å; E264-H268 WeakPolarHBondContact O-CA 3.48Å; E264-H268 PolarHBondContact O-N 3.28Å; E264-F269 PolarHBondContact N-O 3.39Å
265E90.2Very high93.6Very high103 Ų10361.8 Ų61.848%0.48129%0.291SS..Hα-helixtrans-69.7-41.3-178.6-78.4177.2172.100113K143 K261 Q262K143-E265 PolarHBondContact NZ-O 3.22Å; K261-E265 WeakPolarHBondContact CE-OE1 3.49Å; K261-E265 HydrophobicContact CG-CG 4.3Å; K261-E265 IonicContact NZ-OE1 3.93Å; K261-E265 WeakPolarHBondContact O-CB 3.43Å; K261-E265 VanDerWaalsContact O-CG 3.23Å; K261-E265 WeakPolarHBondContact O-CG 3.29Å; K261-E265 PolarHBondContact O-N 3.29Å; Q262-E265 PolarHBondContact O-N 3.5Å
266Q88.8Confident93.6Very high77 Ų7761.1 Ų61.136%0.3629%0.288SS..Hα-helixtrans-97.9-36.5-174.4-174.8173.8-7.600113.5Q262Q262-Q266 WeakPolarHBondContact O-CB 3.37Å; Q262-Q266 PolarHBondContact O-N 3.42Å
267Y90.9Very high93.5Very high33 Ų3366 Ų6613%0.12931%0.314CS..Hα-helixtrans-119.80.9-170.6-54.9-80000113.5H135 Y249 I250 L263 F269H135-Y267 PolarHBondContact NE2-O 3.45Å; Y249-Y267 AromaticContact CD2-CD1 3.8Å; Y249-Y267 HydrophobicContact CD2-CD1 3.8Å; Y249-Y267 AromaticContact CD2-CD2 3.95Å; Y249-Y267 HydrophobicContact CD2-CD2 3.95Å; Y249-Y267 AromaticContact CD2-CE1 3.75Å; Y249-Y267 HydrophobicContact CD2-CE1 3.75Å; Y249-Y267 AromaticContact CD2-CE2 3.9Å; Y249-Y267 HydrophobicContact CD2-CE2 3.9Å; Y249-Y267 AromaticContact CD2-CG 3.89Å; Y249-Y267 HydrophobicContact CD2-CG 3.89Å; Y249-Y267 AromaticContact CD2-CZ 3.8Å; Y249-Y267 HydrophobicContact CE2-CD1 4.08Å; Y249-Y267 HydrophobicContact CE2-CE1 4.27Å; Y249-Y267 HydrophobicContact CE2-CG 4.38Å; Y249-Y267 HydrophobicContact CG-CE1 4.35Å; Y249-Y267 HydrophobicContact CG-CE2 4.29Å; Y249-Y267 PolarHBondContact O-OH 3.33Å; I250-Y267 HydrophobicContact CG2-CE2 4.21Å; L263-Y267 HydrophobicContact CD2-CD2 3.91Å; L263-Y267 HydrophobicContact CD2-CE2 4.35Å; L263-Y267 CarbonylContact O-C 3.58Å; L263-Y267 VanDerWaalsContact O-CA 3.28Å; L263-Y267 WeakPolarHBondContact O-CA 3.46Å; L263-Y267 WeakPolarHBondContact O-CB 3.37Å; L263-Y267 PolarHBondContact O-N 2.85Å; Y267-F269 VanDerWaalsContact C-N 3.29Å; Y267-F269 VanDerWaalsContact CB-CE1 3.49Å; Y267-F269 HydrophobicContact CG-CE1 4.24Å; Y267-F269 PolarHBondContact O-N 2.99Å
268H90.4Very high93.1Very high42 Ų4260.9 Ų60.919%0.19430%0.296CS..  trans58.732.9170-57.2-80000115.3H135 M139 L263 E264H135-H268 HydrophobicContact CB-CB 4.21Å; H135-H268 WeakPolarHBondContact CB-CD2 3.4Å; H135-H268 AromaticContact CD2-CD2 3.87Å; H135-H268 AromaticContact CG-CD2 3.64Å; H135-H268 AromaticContact CG-CG 3.95Å; M139-H268 WeakPolarHBondContact CE-NE2 3.49Å; M139-H268 WeakPolarHBondContact CG-CE1 3.49Å; M139-H268 WeakPolarHBondContact CG-NE2 3.47Å; L263-H268 PolarHBondContact O-N 3.47Å; E264-H268 WeakPolarHBondContact O-CA 3.48Å; E264-H268 PolarHBondContact O-N 3.28Å
269F92.9Very high92.6Very high67 Ų6764.5 Ų64.529%0.29431%0.311SS..  trans-139.3159.2174.778.3-88.2000112.4H216 Y249 L263 E264 Y267 C271H216-F269 HydrophobicContact CB-CE1 4.41Å; H216-F269 HydrophobicContact CB-CE2 4.36Å; H216-F269 HydrophobicContact CB-CZ 3.6Å; H216-F269 AromaticContact CD2-CZ 3.85Å; H216-F269 AromaticContact CG-CZ 3.96Å; Y249-F269 HydrophobicContact CD2-CE1 4.36Å; Y249-F269 HydrophobicContact CE2-CE1 4.3Å; L263-F269 HydrophobicContact CB-CE1 4.32Å; L263-F269 HydrophobicContact CB-CZ 4.15Å; L263-F269 HydrophobicContact CD1-CE2 4.19Å; L263-F269 HydrophobicContact CD1-CZ 4.01Å; L263-F269 HydrophobicContact CD2-CE1 4.03Å; L263-F269 HydrophobicContact CD2-CZ 3.71Å; L263-F269 HydrophobicContact CG-CZ 4.16Å; E264-F269 PolarHBondContact N-O 3.39Å; Y267-F269 VanDerWaalsContact C-N 3.29Å; Y267-F269 VanDerWaalsContact CB-CE1 3.49Å; Y267-F269 HydrophobicContact CG-CE1 4.24Å; Y267-F269 PolarHBondContact O-N 2.99Å; F269-C271 HydrophobicContact CE2-CB 4.01Å
270V95.3Very high91.9Very high75 Ų7572 Ų7246%0.45534%0.343SS..  trans-100.7127.9172.3179.40000109.1H272V270-H272 PolarHBondContact O-CD2 3.47Å
271C96Very high91.3Very high6 Ų671.9 Ų71.94%0.04134%0.343CS..  trans-80.6126-179.4-1750000111.5Q260 L263 F269Q260-C271 PolarHBondContact NE2-O 2.99Å; L263-C271 HydrophobicContact CD1-CB 3.67Å; F269-C271 HydrophobicContact CE2-CB 4.01Å
272H95.1Very high90.9Very high138 Ų13867.4 Ų67.464%0.63933%0.325SS*.  trans-111.126176.8-62-62.6000113.1V270 N277V270-H272 PolarHBondContact O-CD2 3.47Å; H272-N277 PolarHBondContact O-ND2 3.05Å
273C94.1Very high90.5Very high11 Ų1166.7 Ų66.77%0.07434%0.336CS..SBendtrans-65.5165.317775.90000111.8D217 C218 R275 C276 N277D217-C273 WeakPolarHBondContact OD1-CB 3.27Å; D217-C273 WeakPolarHBondContact OD2-CB 3.49Å; C218-C273 VanDerWaalsContact SG-SG 3.68Å; C273-R275 PolarHBondContact O-N 3.36Å; C273-C276 PolarHBondContact O-N 3.4Å; C273-N277 PolarHBondContact O-N 3.32Å
274Q91.9Very high90.1Very high152 Ų15273.4 Ų73.471%0.7137%0.366SS*.Hα-helixtrans-54.8-39.5-179-173.6-178.513.200112.6S278Q274-S278 WeakPolarHBondContact O-CB 3.45Å; Q274-S278 PolarHBondContact O-N 3.38Å; Q274-S278 VanDerWaalsContact O-N 3.1Å; Q274-S278 PolarHBondContact O-OG 3.12Å
275R91.6Very high89.9Confident10 Ų1067.9 Ų67.94%0.03834%0.34CS..Hα-helixtrans-63.1-52179.8-174.1173.4-179.1-148.4-6.3111.3C218 R219 T252 C273 N277 S278 K279 E281C218-R275 HydrophobicContact CB-CB 4.24Å; R219-R275 HydrophobicContact CG-CB 4.36Å; T252-R275 PolarHBondContact O-NH1 3.4Å; T252-R275 PolarHBondContact O-NH2 2.95Å; C273-R275 PolarHBondContact O-N 3.36Å; R275-N277 PolarHBondContact O-N 3.3Å; R275-S278 PolarHBondContact O-N 3.41Å; R275-S278 PolarHBondContact O-OG 3.01Å; R275-K279 PolarHBondContact O-N 3.01Å; R275-E281 WeakPolarHBondContact CG-OE1 3.16Å; R275-E281 IonicContact CZ-OE2 3.63Å; R275-E281 IonicContact NE-OE1 2.78Å; R275-E281 IonicContact NE-OE2 3.64Å; R275-E281 PolarHBondContact NE-OE2 3.02Å; R275-E281 IonicContact NH2-OE2 2.78Å; R275-E281 PolarHBondContact NH2-OE2 3.17Å
276C92.9Very high90.1Very high4 Ų465.1 Ų65.13%0.02733%0.328CS..Hα-helixtrans-63.9-37.6179.8-71.30000113.4T256 R259 C273 K279T256-C276 HydrophobicContact CG2-CB 4.07Å; R259-C276 PolarHBondContact NH2-SG 2.91Å; R259-C276 VanDerWaalsContact NH2-SG 3.44Å; C273-C276 PolarHBondContact O-N 3.4Å; C276-K279 WeakPolarHBondContact O-CG 3.43Å
277N91.9Very high90.2Very high107 Ų10763.1 Ų63.157%0.57232%0.323SS*.Hα-helixtrans-72.7-33.5179.5-70.6-16.8000112.8H272 C273 R275H272-N277 PolarHBondContact O-ND2 3.05Å; C273-N277 PolarHBondContact O-N 3.32Å; R275-N277 PolarHBondContact O-N 3.3Å
278S87.4Confident90.3Very high52 Ų5263.5 Ų63.536%0.36434%0.337SS..Hα-helixtrans-78.9-33.3-176.775.50000113.6Q274 R275 K280Q274-S278 WeakPolarHBondContact O-CB 3.45Å; Q274-S278 PolarHBondContact O-N 3.38Å; Q274-S278 VanDerWaalsContact O-N 3.1Å; Q274-S278 PolarHBondContact O-OG 3.12Å; R275-S278 PolarHBondContact O-N 3.41Å; R275-S278 PolarHBondContact O-OG 3.01Å; S278-K280 PolarHBondContact O-N 3.15Å
279K82.2Confident90.3Very high135 Ų13566.4 Ų66.459%0.58735%0.351SS*.  trans49.310.7-171.7-58.8-171.3-179.7-173.30115.7T256 R275 C276 E281 D282T256-K279 HydrophobicContact CG2-CG 4.37Å; R275-K279 PolarHBondContact O-N 3.01Å; C276-K279 WeakPolarHBondContact O-CG 3.43Å; K279-E281 VanDerWaalsContact C-N 3.3Å; K279-E281 PolarHBondContact O-N 3.46Å; K279-D282 PolarHBondContact O-N 2.92Å
280K82.8Confident90.3Very high158 Ų15869.6 Ų69.669%0.68737%0.366SS*.Hα-helixtrans-65.5-36.3-175.6-70.4-174.9178-176.20112S278 D282 G283 F284S278-K280 PolarHBondContact O-N 3.15Å; K280-D282 VanDerWaalsContact C-N 3.32Å; K280-D282 PolarHBondContact O-N 2.97Å; K280-G283 PolarHBondContact O-N 3.49Å; K280-F284 VanDerWaalsContact O-CD2 3.28Å; K280-F284 WeakPolarHBondContact O-CD2 3.29Å
281E82.6Confident90.2Very high32 Ų3273.1 Ų73.115%0.1538%0.378CS..Hα-helixtrans-66.8-31.5-178.7-69.9179.3-140.300112.9R219 R275 K279 G283 F284 I285R219-E281 IonicContact CZ-OE1 2.76Å; R219-E281 IonicContact NE-OE1 2.68Å; R219-E281 PolarHBondContact NE-OE1 2.66Å; R219-E281 VanDerWaalsContact NE-OE1 3.12Å; R219-E281 IonicContact NH2-OE1 3.14Å; R219-E281 PolarHBondContact NH2-OE1 3.13Å; R275-E281 WeakPolarHBondContact CG-OE1 3.16Å; R275-E281 IonicContact CZ-OE2 3.63Å; R275-E281 IonicContact NE-OE1 2.78Å; R275-E281 IonicContact NE-OE2 3.64Å; R275-E281 PolarHBondContact NE-OE2 3.02Å; R275-E281 IonicContact NH2-OE2 2.78Å; R275-E281 PolarHBondContact NH2-OE2 3.17Å; K279-E281 VanDerWaalsContact C-N 3.3Å; K279-E281 PolarHBondContact O-N 3.46Å; E281-G283 PolarHBondContact O-N 2.96Å; E281-F284 PolarHBondContact O-N 3.08Å; E281-I285 HydrophobicContact CB-CD1 4.25Å; E281-I285 WeakPolarHBondContact O-CB 3.2Å; E281-I285 VanDerWaalsContact O-CG1 3.23Å; E281-I285 WeakPolarHBondContact O-CG1 3.49Å; E281-I285 PolarHBondContact O-N 3.32Å
282D88.8Confident90Very high27 Ų2774.8 Ų74.814%0.14438%0.384CS..Hα-helixtrans-60-35.4-178.6-69.213000111.3L255 T256 R259 K279 K280 I285 L286L255-D282 HydrophobicContact CD2-CB 4.28Å; T256-D282 WeakPolarHBondContact CB-OD2 3.28Å; T256-D282 PolarHBondContact N-OD1 2.93Å; T256-D282 PolarHBondContact N-OD2 2.55Å; T256-D282 VanDerWaalsContact OG1-CG 3.28Å; T256-D282 PolarHBondContact OG1-OD1 3.3Å; T256-D282 PolarHBondContact OG1-OD2 3.4Å; R259-D282 IonicContact NH1-OD1 3.28Å; K279-D282 PolarHBondContact O-N 2.92Å; K280-D282 VanDerWaalsContact C-N 3.32Å; K280-D282 PolarHBondContact O-N 2.97Å; D282-I285 PolarHBondContact O-N 3.48Å; D282-L286 WeakPolarHBondContact O-CB 3.41Å; D282-L286 WeakPolarHBondContact O-CG 3.12Å; D282-L286 PolarHBondContact O-N 2.85Å
283G86.7Confident90Very high56 Ų5669.1 Ų69.158%0.57736%0.357SS*.Hα-helixtrans-67.3-32.917500000113.9K280 E281 S287K280-G283 PolarHBondContact O-N 3.49Å; E281-G283 PolarHBondContact O-N 2.96Å; G283-S287 PolarHBondContact O-N 2.67Å
284F85.4Confident90.1Very high141 Ų14172.2 Ų72.262%0.61837%0.371SS*.Hα-helixtrans-75.6-39.2173.9-66.6-76.1000111.5K280 E281 L286 S287K280-F284 VanDerWaalsContact O-CD2 3.28Å; K280-F284 WeakPolarHBondContact O-CD2 3.29Å; E281-F284 PolarHBondContact O-N 3.08Å; F284-L286 PolarHBondContact O-N 2.96Å; F284-S287 VanDerWaalsContact O-CB 3.23Å; F284-S287 WeakPolarHBondContact O-CB 3.47Å; F284-S287 PolarHBondContact O-N 3.04Å; F284-S287 VanDerWaalsContact O-N 3.16Å; F284-S287 PolarHBondContact O-OG 3.22Å
285I90.3Very high90.2Very high0 Ų069.8 Ų69.80%036%0.359CS..Hα-helixtrans-63-32.2177.7-70.5172.3000111.2L255 E281 D282 N334 L335 F371L255-I285 HydrophobicContact CD2-CB 4.41Å; L255-I285 HydrophobicContact CD2-CG2 3.75Å; E281-I285 HydrophobicContact CB-CD1 4.25Å; E281-I285 WeakPolarHBondContact O-CB 3.2Å; E281-I285 VanDerWaalsContact O-CG1 3.23Å; E281-I285 WeakPolarHBondContact O-CG1 3.49Å; E281-I285 PolarHBondContact O-N 3.32Å; D282-I285 PolarHBondContact O-N 3.48Å; I285-N334 WeakPolarHBondContact O-CA 3.37Å; I285-L335 HydrophobicContact CG2-CB 3.54Å; I285-L335 HydrophobicContact CG2-CD1 4.47Å; I285-L335 HydrophobicContact CG2-CD2 3.79Å; I285-L335 HydrophobicContact CG2-CG 4.13Å; I285-L335 PolarHBondContact O-N 2.96Å; I285-F371 HydrophobicContact CD1-CE1 4.47Å; I285-F371 HydrophobicContact CG1-CD1 4.03Å; I285-F371 HydrophobicContact CG1-CE1 3.48Å; I285-F371 VanDerWaalsContact CG1-CE1 3.48Å; I285-F371 HydrophobicContact CG1-CZ 3.94Å
286L93.3Very high90.5Very high45 Ų4569.4 Ų69.424%0.23636%0.358CS..THydrogen-bonded Turntrans-10128.2175.7-61.7178.3000113.2L255 D282 F284 W293 Y336L255-L286 HydrophobicContact CD1-CD1 4.14Å; L255-L286 HydrophobicContact CD1-CD2 4.32Å; L255-L286 HydrophobicContact CD2-CD1 3.8Å; L255-L286 HydrophobicContact CD2-CD2 3.93Å; L255-L286 HydrophobicContact CD2-CG 3.67Å; D282-L286 WeakPolarHBondContact O-CB 3.41Å; D282-L286 WeakPolarHBondContact O-CG 3.12Å; D282-L286 PolarHBondContact O-N 2.85Å; F284-L286 PolarHBondContact O-N 2.96Å; L286-W293 PolarHBondContact O-NE1 3.27Å; L286-Y336 HydrophobicContact CD2-CD2 4.13Å; L286-Y336 HydrophobicContact CD2-CE2 3.49Å; L286-Y336 VanDerWaalsContact CD2-CE2 3.49Å
287S91.9Very high90.6Very high34 Ų3472.9 Ų72.924%0.23837%0.373CS..  trans-63.7149.917950.70000112.6G283 F284 P331 N334G283-S287 PolarHBondContact O-N 2.67Å; F284-S287 VanDerWaalsContact O-CB 3.23Å; F284-S287 WeakPolarHBondContact O-CB 3.47Å; F284-S287 PolarHBondContact O-N 3.04Å; F284-S287 VanDerWaalsContact O-N 3.16Å; F284-S287 PolarHBondContact O-OG 3.22Å; S287-P331 WeakPolarHBondContact OG-CG 3.49Å; S287-N334 PolarHBondContact O-ND2 3.11Å
288G91.8Very high90.9Very high42 Ų4272.8 Ų72.843%0.43338%0.376SS..SBendtrans91.6-175.9-175.100000113.9
289E92Very high91.4Very high103 Ų10371.3 Ų71.348%0.48137%0.367SS..  trans-73.7128.7-173-64.2-178.7166.600112.7E291 K292 W293E289-E291 PolarHBondContact O-N 3.3Å; E289-K292 HydrophobicContact CB-CD 4.23Å; E289-K292 HydrophobicContact CB-CG 4.19Å; E289-K292 PolarHBondContact O-N 3.04Å; E289-K292 VanDerWaalsContact O-N 3.14Å; E289-K292 WeakPolarHBondContact OE2-CD 3.32Å; E289-K292 WeakPolarHBondContact OE2-CE 3.4Å; E289-K292 IonicContact OE2-NZ 3.87Å; E289-W293 PolarHBondContact O-N 2.9Å
290E93.3Very high92Very high133 Ų13365.2 Ų65.262%0.62134%0.341SS*.Hα-helixtrans-57.4-43.9-176.8174.4165.1-16100113.9K292 W293 Q294E290-K292 PolarHBondContact O-N 3.25Å; E290-W293 VanDerWaalsContact CA-CE2 3.46Å; E290-W293 VanDerWaalsContact CA-NE1 3.32Å; E290-W293 HydrophobicContact CB-CH2 4.46Å; E290-W293 HydrophobicContact CB-CZ2 3.7Å; E290-W293 HydrophobicContact CG-CH2 3.72Å; E290-W293 HydrophobicContact CG-CZ2 3.44Å; E290-W293 VanDerWaalsContact CG-CZ2 3.44Å; E290-W293 PolarHBondContact O-N 3.19Å; E290-Q294 WeakPolarHBondContact O-CB 3.36Å; E290-Q294 PolarHBondContact O-N 3.06Å
291E92.2Very high92.7Very high150 Ų15061.9 Ų61.970%0.70134%0.335SS*.Hα-helixtrans-57.1-37.8179.2-172.2175.5178.200112.1E289 Q295E289-E291 PolarHBondContact O-N 3.3Å; E291-Q295 WeakPolarHBondContact O-CG 3.28Å; E291-Q295 PolarHBondContact O-N 3.38Å
292K92.6Very high93.4Very high40 Ų4064.4 Ų64.417%0.17436%0.356CS..Hα-helixtrans-74-50-177.7-63.7-174.2171.7-178.60112E289 E290 Q294 Q295 A326 E329E289-K292 HydrophobicContact CB-CD 4.23Å; E289-K292 HydrophobicContact CB-CG 4.19Å; E289-K292 PolarHBondContact O-N 3.04Å; E289-K292 VanDerWaalsContact O-N 3.14Å; E289-K292 WeakPolarHBondContact OE2-CD 3.32Å; E289-K292 WeakPolarHBondContact OE2-CE 3.4Å; E289-K292 IonicContact OE2-NZ 3.87Å; E290-K292 PolarHBondContact O-N 3.25Å; K292-Q294 VanDerWaalsContact C-N 3.31Å; K292-Q294 PolarHBondContact O-N 3.18Å; K292-Q295 PolarHBondContact O-N 3.03Å; K292-A326 WeakPolarHBondContact CD-O 3.31Å; K292-E329 IonicContact NZ-OE2 3.76Å; K292-E329 PolarHBondContact NZ-OE2 3.46Å
293W94.9Very high93.9Very high19 Ų1963.2 Ų63.27%0.07235%0.35CS..Hα-helixtrans-74-24.1-179.263.4-113.9000112.7L286 E289 E290 Q295 L296 K297 L330 Y336L286-W293 PolarHBondContact O-NE1 3.27Å; E289-W293 PolarHBondContact O-N 2.9Å; E290-W293 VanDerWaalsContact CA-CE2 3.46Å; E290-W293 VanDerWaalsContact CA-NE1 3.32Å; E290-W293 HydrophobicContact CB-CH2 4.46Å; E290-W293 HydrophobicContact CB-CZ2 3.7Å; E290-W293 HydrophobicContact CG-CH2 3.72Å; E290-W293 HydrophobicContact CG-CZ2 3.44Å; E290-W293 VanDerWaalsContact CG-CZ2 3.44Å; E290-W293 PolarHBondContact O-N 3.19Å; W293-Q295 VanDerWaalsContact C-N 3.33Å; W293-Q295 PolarHBondContact O-N 2.99Å; W293-L296 WeakPolarHBondContact O-CB 3.38Å; W293-L296 PolarHBondContact O-N 2.64Å; W293-K297 HydrophobicContact CZ3-CD 4.45Å; W293-K297 PolarHBondContact O-N 2.98Å; W293-L330 HydrophobicContact CB-CD1 3.93Å; W293-L330 HydrophobicContact CB-CD2 4.07Å; W293-L330 HydrophobicContact CG-CD1 4.45Å; W293-Y336 HydrophobicContact CB-CD2 4.09Å; W293-Y336 HydrophobicContact CD2-CD2 4.09Å; W293-Y336 HydrophobicContact CD2-CE2 4.27Å; W293-Y336 AromaticContact CE3-CD2 3.54Å; W293-Y336 HydrophobicContact CE3-CD2 3.54Å; W293-Y336 AromaticContact CE3-CE2 3.45Å; W293-Y336 HydrophobicContact CE3-CE2 3.45Å; W293-Y336 VanDerWaalsContact CE3-CE2 3.45Å; W293-Y336 HydrophobicContact CG-CD2 4.34Å; W293-Y336 HydrophobicContact CZ3-CD2 4.38Å; W293-Y336 AromaticContact CZ3-CE2 3.83Å; W293-Y336 HydrophobicContact CZ3-CE2 3.83Å
294Q95.1Very high94.3Very high77 Ų7765.2 Ų65.236%0.3634%0.344SS..Hα-helixtrans-66.1-35.8174.8-175.266.74.200111.8E290 K292 K297 V298E290-Q294 WeakPolarHBondContact O-CB 3.36Å; E290-Q294 PolarHBondContact O-N 3.06Å; K292-Q294 VanDerWaalsContact C-N 3.31Å; K292-Q294 PolarHBondContact O-N 3.18Å; Q294-K297 PolarHBondContact O-N 3.4Å; Q294-V298 WeakPolarHBondContact O-CG2 3.4Å; Q294-V298 PolarHBondContact O-N 3.19Å
295Q95Very high94.9Very high100 Ų10059.9 Ų59.947%0.46733%0.329SS..Hα-helixtrans-61.5-44.7172.6-69.7174.723.500111.5E291 K292 W293 V298 A299E291-Q295 WeakPolarHBondContact O-CG 3.28Å; E291-Q295 PolarHBondContact O-N 3.38Å; K292-Q295 PolarHBondContact O-N 3.03Å; W293-Q295 VanDerWaalsContact C-N 3.33Å; W293-Q295 PolarHBondContact O-N 2.99Å; Q295-V298 PolarHBondContact O-N 3.28Å; Q295-A299 PolarHBondContact O-N 3.49Å; Q295-A299 VanDerWaalsContact O-N 3.12Å
296L96.9Very high95.2Very high2 Ų261.2 Ų61.21%0.0134%0.336CS..Hα-helixtrans-60.9-46.1175.6-57.4-176.3000111.3W293 V298 A299 L300 L322 A326 L330 R337 V340W293-L296 WeakPolarHBondContact O-CB 3.38Å; W293-L296 PolarHBondContact O-N 2.64Å; L296-V298 VanDerWaalsContact C-N 3.35Å; L296-V298 PolarHBondContact O-N 3.27Å; L296-A299 PolarHBondContact O-N 3.04Å; L296-A299 VanDerWaalsContact O-N 3.16Å; L296-L300 PolarHBondContact O-N 2.84Å; L296-L300 VanDerWaalsContact O-N 3.16Å; L296-L322 HydrophobicContact CD2-CB 3.74Å; L296-L322 HydrophobicContact CD2-CD2 4.32Å; L296-L322 HydrophobicContact CD2-CG 4.49Å; L296-A326 HydrophobicContact CD1-CB 4.34Å; L296-A326 HydrophobicContact CD2-CB 4.48Å; L296-L330 HydrophobicContact CD1-CD2 3.56Å; L296-R337 HydrophobicContact CD1-CB 4.02Å; L296-V340 HydrophobicContact CB-CG2 4.29Å; L296-V340 HydrophobicContact CD2-CG2 4.37Å
297K96.4Very high95.3Very high77 Ų7762.3 Ų62.334%0.33534%0.339SS..Hα-helixtrans-57-45.1177.9-178.1-177.2-173.41620112.5W293 Q294 A299 L300 Y336W293-K297 HydrophobicContact CZ3-CD 4.45Å; W293-K297 PolarHBondContact O-N 2.98Å; Q294-K297 PolarHBondContact O-N 3.4Å; K297-A299 VanDerWaalsContact C-N 3.3Å; K297-A299 PolarHBondContact O-N 2.84Å; K297-L300 PolarHBondContact O-N 3.48Å; K297-Y336 HydrophobicContact CB-CD1 3.88Å; K297-Y336 HydrophobicContact CB-CD2 4.11Å; K297-Y336 HydrophobicContact CB-CE1 3.91Å; K297-Y336 HydrophobicContact CB-CE2 4.09Å; K297-Y336 HydrophobicContact CB-CG 4Å; K297-Y336 HydrophobicContact CD-CE1 4.01Å; K297-Y336 HydrophobicContact CD-CE2 3.93Å; K297-Y336 WeakPolarHBondContact CD-OH 3.46Å; K297-Y336 VanDerWaalsContact CE-OH 3.25Å; K297-Y336 WeakPolarHBondContact CE-OH 3.26Å; K297-Y336 HydrophobicContact CG-CD1 4.13Å; K297-Y336 HydrophobicContact CG-CE1 3.65Å; K297-Y336 HydrophobicContact CG-CE2 4.24Å; K297-Y336 PolarHBondContact NZ-OH 3.14Å; K297-Y336 VanDerWaalsContact NZ-OH 3.13Å
298V97.3Very high95.3Very high105 Ų10566.4 Ų66.464%0.63636%0.362SS*.Hα-helixtrans-67.9-31.9179.7170.70000111.7Q294 Q295 L296 P301Q294-V298 WeakPolarHBondContact O-CG2 3.4Å; Q294-V298 PolarHBondContact O-N 3.19Å; Q295-V298 PolarHBondContact O-N 3.28Å; L296-V298 VanDerWaalsContact C-N 3.35Å; L296-V298 PolarHBondContact O-N 3.27Å; V298-P301 WeakPolarHBondContact O-CD 3.5Å
299A97.2Very high95.4Very high21 Ų2171.2 Ų71.217%0.17437%0.374CS..Hα-helixtrans-74.7-25.3178.300000113.7Q295 L296 K297 S302 L303 L322Q295-A299 PolarHBondContact O-N 3.49Å; Q295-A299 VanDerWaalsContact O-N 3.12Å; L296-A299 PolarHBondContact O-N 3.04Å; L296-A299 VanDerWaalsContact O-N 3.16Å; K297-A299 VanDerWaalsContact C-N 3.3Å; K297-A299 PolarHBondContact O-N 2.84Å; A299-S302 WeakPolarHBondContact O-CB 3.37Å; A299-S302 PolarHBondContact O-N 2.97Å; A299-L303 PolarHBondContact O-N 3.37Å; A299-L303 VanDerWaalsContact O-N 3.12Å; A299-L322 HydrophobicContact CB-CD1 3.61Å; A299-L322 HydrophobicContact CB-CD2 4.24Å
300L96.4Very high95.5Very high8 Ų869.7 Ų69.74%0.04237%0.374CS..Hα-helixtrans-49.7-49.3-173.5-79.6177.2000114.6L296 K297 S302 L303 E304 Y336 R339 V340 M343L296-L300 PolarHBondContact O-N 2.84Å; L296-L300 VanDerWaalsContact O-N 3.16Å; K297-L300 PolarHBondContact O-N 3.48Å; L300-S302 PolarHBondContact O-N 3.43Å; L300-L303 PolarHBondContact O-N 3.22Å; L300-L303 VanDerWaalsContact O-N 3.08Å; L300-E304 WeakPolarHBondContact O-CG 2.86Å; L300-E304 PolarHBondContact O-N 3.46Å; L300-Y336 HydrophobicContact CD1-CD1 3.76Å; L300-Y336 HydrophobicContact CD1-CE1 4.28Å; L300-R339 HydrophobicContact CD2-CB 4.04Å; L300-V340 HydrophobicContact CD2-CG2 4.1Å; L300-M343 HydrophobicContact CD2-SD 4.13Å
301P97.3Very high95.7Very high87 Ų8766.4 Ų66.457%0.56536%0.361SS*.Hα-helixtrans-59.8-34.5-179.8-24.735.5000113.3V298 G305V298-P301 WeakPolarHBondContact O-CD 3.5Å; P301-G305 PolarHBondContact O-N 3.11Å; P301-G305 VanDerWaalsContact O-N 3.11Å
302S97.6Very high96Very high85 Ų8561.5 Ų61.559%0.59434%0.336SS*.Hα-helixtrans-69.3-42.4176.2-171.30000111.3A299 L300 E304 G305 L306A299-S302 WeakPolarHBondContact O-CB 3.37Å; A299-S302 PolarHBondContact O-N 2.97Å; L300-S302 PolarHBondContact O-N 3.43Å; S302-E304 VanDerWaalsContact C-N 3.35Å; S302-G305 PolarHBondContact O-N 3.31Å; S302-L306 PolarHBondContact O-N 3.4Å; S302-L306 VanDerWaalsContact O-N 3.15Å
303L97.9Very high96.3Very high3 Ų363.2 Ų63.22%0.01635%0.351CS..Hα-helixtrans-64.8-40.2177.1-60.4176.6000111.2A299 L300 G305 L306 K307 L315 S318 L322 V340 M343A299-L303 PolarHBondContact O-N 3.37Å; A299-L303 VanDerWaalsContact O-N 3.12Å; L300-L303 PolarHBondContact O-N 3.22Å; L300-L303 VanDerWaalsContact O-N 3.08Å; L303-G305 VanDerWaalsContact C-N 3.28Å; L303-G305 PolarHBondContact O-N 3.02Å; L303-L306 PolarHBondContact O-N 3.47Å; L303-K307 PolarHBondContact O-N 3.22Å; L303-L315 HydrophobicContact CB-CD1 3.86Å; L303-L315 HydrophobicContact CD2-CD1 3.94Å; L303-L315 HydrophobicContact CG-CD1 4.43Å; L303-S318 VanDerWaalsContact CD2-CB 3.48Å; L303-L322 HydrophobicContact CD1-CD1 3.92Å; L303-L322 HydrophobicContact CD2-CD1 4.28Å; L303-L322 HydrophobicContact CG-CD1 4.47Å; L303-V340 HydrophobicContact CD1-CG1 4.35Å; L303-V340 HydrophobicContact CD1-CG2 3.96Å; L303-M343 HydrophobicContact CB-CE 3.43Å; L303-M343 VanDerWaalsContact CB-CE 3.43Å; L303-M343 HydrophobicContact CB-SD 3.97Å; L303-M343 HydrophobicContact CD1-SD 4.39Å; L303-M343 WeakPolarHBondContact O-CE 3.39Å
304E96.3Very high96.4Very high98 Ų9863.5 Ų63.546%0.45836%0.358SS..Hα-helixtrans-63.9-35.5177.1-73.4172.717700111.4L300 S302 K307 T308 M343L300-E304 WeakPolarHBondContact O-CG 2.86Å; L300-E304 PolarHBondContact O-N 3.46Å; S302-E304 VanDerWaalsContact C-N 3.35Å; E304-K307 PolarHBondContact O-N 3.08Å; E304-T308 WeakPolarHBondContact O-CB 3.27Å; E304-T308 PolarHBondContact O-N 3.49Å; E304-T308 PolarHBondContact O-OG1 3.07Å; E304-M343 HydrophobicContact CG-CE 4.07Å
305G96.4Very high96.6Very high28 Ų2859.9 Ų59.929%0.28934%0.341SS..Hα-helixtrans-58.6-51.9170.100000112.2P301 S302 L303 K307 T308 E309P301-G305 PolarHBondContact O-N 3.11Å; P301-G305 VanDerWaalsContact O-N 3.11Å; S302-G305 PolarHBondContact O-N 3.31Å; L303-G305 VanDerWaalsContact C-N 3.28Å; L303-G305 PolarHBondContact O-N 3.02Å; G305-K307 VanDerWaalsContact C-N 3.33Å; G305-K307 PolarHBondContact O-N 3.15Å; G305-T308 WeakPolarHBondContact O-CB 3.46Å; G305-T308 PolarHBondContact O-N 2.73Å; G305-T308 VanDerWaalsContact O-N 3.12Å; G305-E309 WeakPolarHBondContact O-CG 3.4Å; G305-E309 PolarHBondContact O-N 3.28Å
306L97.2Very high96.7Very high28 Ų2855.6 Ų55.615%0.14732%0.321CS..Hα-helixtrans-59.6-41.7178.1-65.5173.1000112.3S302 L303 E309 S310 N311 A314 L315S302-L306 PolarHBondContact O-N 3.4Å; S302-L306 VanDerWaalsContact O-N 3.15Å; L303-L306 PolarHBondContact O-N 3.47Å; L306-E309 PolarHBondContact O-N 3.35Å; L306-S310 PolarHBondContact O-N 3.21Å; L306-S310 VanDerWaalsContact O-N 3.14Å; L306-N311 HydrophobicContact CD2-CB 4.2Å; L306-N311 PolarHBondContact O-N 2.87Å; L306-A314 HydrophobicContact CD1-CB 4.33Å; L306-A314 HydrophobicContact CD2-CB 4.17Å; L306-L315 HydrophobicContact CB-CB 4.04Å; L306-L315 HydrophobicContact CB-CD1 4.33Å; L306-L315 HydrophobicContact CD1-CB 4.45Å
307K94.6Very high96.8Very high69 Ų6961.6 Ų61.630%0.335%0.349SS..Hα-helixtrans-60.8-44.2175-174.4172.3-172.4171.30111.5L303 E304 G305 E309 S310 W312 L315 M343 D346L303-K307 PolarHBondContact O-N 3.22Å; E304-K307 PolarHBondContact O-N 3.08Å; G305-K307 VanDerWaalsContact C-N 3.33Å; G305-K307 PolarHBondContact O-N 3.15Å; K307-E309 VanDerWaalsContact C-N 3.31Å; K307-E309 PolarHBondContact O-N 2.75Å; K307-S310 PolarHBondContact O-N 3.11Å; K307-W312 HydrophobicContact CG-CH2 3.98Å; K307-W312 HydrophobicContact CG-CZ3 3.89Å; K307-L315 HydrophobicContact CB-CD2 3.86Å; K307-L315 HydrophobicContact CG-CD2 4.35Å; K307-M343 HydrophobicContact CB-CE 4.3Å; K307-M343 HydrophobicContact CD-CE 4.32Å; K307-D346 VanDerWaalsContact CE-OD2 3.31Å; K307-D346 WeakPolarHBondContact CE-OD2 3.42Å; K307-D346 IonicContact NZ-OD2 3.77Å; K307-D346 PolarHBondContact NZ-OD2 2.98Å
308T92.4Very high96.9Very high119 Ų11959.9 Ų59.973%0.7335%0.347SS*.Hα-helixtrans-64.2-37.4179.4-59.40000111.8E304 G305 S310E304-T308 WeakPolarHBondContact O-CB 3.27Å; E304-T308 PolarHBondContact O-N 3.49Å; E304-T308 PolarHBondContact O-OG1 3.07Å; G305-T308 WeakPolarHBondContact O-CB 3.46Å; G305-T308 PolarHBondContact O-N 2.73Å; G305-T308 VanDerWaalsContact O-N 3.12Å; T308-S310 PolarHBondContact O-N 2.92Å
309E94Very high96.9Very high144 Ų14454.9 Ų54.967%0.67332%0.316SS*.THydrogen-bonded Turntrans-78.1-2.8175.8-67.5174.2-175.300113.2G305 L306 K307 N311G305-E309 WeakPolarHBondContact O-CG 3.4Å; G305-E309 PolarHBondContact O-N 3.28Å; L306-E309 PolarHBondContact O-N 3.35Å; K307-E309 VanDerWaalsContact C-N 3.31Å; K307-E309 PolarHBondContact O-N 2.75Å; E309-N311 PolarHBondContact O-N 3.36Å
310S94.9Very high96.9Very high70 Ų7055.9 Ų55.949%0.4932%0.322SS..THydrogen-bonded Turntrans56.629.9-173.5-53.70000113.2L306 K307 T308 W312L306-S310 PolarHBondContact O-N 3.21Å; L306-S310 VanDerWaalsContact O-N 3.14Å; K307-S310 PolarHBondContact O-N 3.11Å; T308-S310 PolarHBondContact O-N 2.92Å; S310-W312 VanDerWaalsContact O-CD1 3.25Å; S310-W312 PolarHBondContact O-N 2.9Å; S310-W312 PolarHBondContact O-NE1 2.8Å
311N97.2Very high97Very high64 Ų6460 Ų6034%0.34234%0.344SS..  trans-84.267.9175.9-169.3-7.9000110.3L306 E309 A314 L315L306-N311 HydrophobicContact CD2-CB 4.2Å; L306-N311 PolarHBondContact O-N 2.87Å; E309-N311 PolarHBondContact O-N 3.36Å; N311-A314 PolarHBondContact O-N 3.23Å; N311-A314 WeakPolarHBondContact OD1-CB 3.3Å; N311-A314 PolarHBondContact OD1-N 2.68Å; N311-L315 WeakPolarHBondContact O-CB 3.09Å; N311-L315 PolarHBondContact O-N 2.79Å
312W98Very high97Very high47 Ų4757.7 Ų57.718%0.17833%0.327CS..Hα-helixtrans-59.3-41.1-175.1-51117.6000114.5K307 S310 L315 L316 A347 Q350 L351K307-W312 HydrophobicContact CG-CH2 3.98Å; K307-W312 HydrophobicContact CG-CZ3 3.89Å; S310-W312 VanDerWaalsContact O-CD1 3.25Å; S310-W312 PolarHBondContact O-N 2.9Å; S310-W312 PolarHBondContact O-NE1 2.8Å; W312-L315 HydrophobicContact CE3-CD2 3.94Å; W312-L315 HydrophobicContact CZ3-CD2 3.96Å; W312-L315 PolarHBondContact O-N 2.99Å; W312-L316 WeakPolarHBondContact O-CB 3.35Å; W312-L316 PolarHBondContact O-N 2.73Å; W312-A347 HydrophobicContact CE3-CB 4.15Å; W312-Q350 HydrophobicContact CB-CB 4.24Å; W312-Q350 HydrophobicContact CD2-CB 3.7Å; W312-Q350 HydrophobicContact CD2-CG 3.77Å; W312-Q350 HydrophobicContact CE3-CB 4.31Å; W312-Q350 HydrophobicContact CE3-CG 4.12Å; W312-Q350 HydrophobicContact CG-CB 3.62Å; W312-Q350 HydrophobicContact CG-CG 4.23Å; W312-Q350 HydrophobicContact CH2-CG 4.25Å; W312-Q350 HydrophobicContact CZ2-CG 3.9Å; W312-Q350 HydrophobicContact CZ3-CG 4.34Å; W312-L351 HydrophobicContact CB-CD1 4.34Å; W312-L351 HydrophobicContact CB-CD2 3.93Å; W312-L351 HydrophobicContact CB-CG 3.91Å
313P98.4Very high96.9Very high77 Ų7754.3 Ų54.350%0.530%0.302SS..Hα-helixtrans-60-50.1177.8-2232.2000112.8L315 L316 E317 L351P313-L315 VanDerWaalsContact C-N 3.33Å; P313-L315 PolarHBondContact O-N 3.38Å; P313-L316 PolarHBondContact O-N 3.38Å; P313-E317 WeakPolarHBondContact O-CB 3.42Å; P313-E317 PolarHBondContact O-N 3.03Å; P313-L351 HydrophobicContact CG-CD2 3.87Å
314A98.1Very high96.8Very high25 Ų2558.8 Ų58.821%0.20733%0.333CS..Hα-helixtrans-68.1-35.2-179.400000112L306 N311 S318L306-A314 HydrophobicContact CD1-CB 4.33Å; L306-A314 HydrophobicContact CD2-CB 4.17Å; N311-A314 PolarHBondContact O-N 3.23Å; N311-A314 WeakPolarHBondContact OD1-CB 3.3Å; N311-A314 PolarHBondContact OD1-N 2.68Å; A314-S318 VanDerWaalsContact O-CB 3.32Å; A314-S318 WeakPolarHBondContact O-CB 3.34Å; A314-S318 PolarHBondContact O-N 2.78Å; A314-S318 PolarHBondContact O-OG 2.93Å
315L98.4Very high96.7Very high0 Ų057.4 Ų57.40%034%0.339CS..Hα-helixtrans-61.7-50.5175177.456.9000111L303 L306 K307 N311 W312 P313 S318 C319 M343 A347L303-L315 HydrophobicContact CB-CD1 3.86Å; L303-L315 HydrophobicContact CD2-CD1 3.94Å; L303-L315 HydrophobicContact CG-CD1 4.43Å; L306-L315 HydrophobicContact CB-CB 4.04Å; L306-L315 HydrophobicContact CB-CD1 4.33Å; L306-L315 HydrophobicContact CD1-CB 4.45Å; K307-L315 HydrophobicContact CB-CD2 3.86Å; K307-L315 HydrophobicContact CG-CD2 4.35Å; N311-L315 WeakPolarHBondContact O-CB 3.09Å; N311-L315 PolarHBondContact O-N 2.79Å; W312-L315 HydrophobicContact CE3-CD2 3.94Å; W312-L315 HydrophobicContact CZ3-CD2 3.96Å; W312-L315 PolarHBondContact O-N 2.99Å; P313-L315 VanDerWaalsContact C-N 3.33Å; P313-L315 PolarHBondContact O-N 3.38Å; L315-S318 PolarHBondContact O-N 3.17Å; L315-C319 WeakPolarHBondContact O-CB 3.45Å; L315-C319 PolarHBondContact O-N 3.33Å; L315-C319 PolarHBondContact O-SG 2.79Å; L315-C319 VanDerWaalsContact O-SG 3.36Å; L315-M343 HydrophobicContact CD1-CB 4.48Å; L315-M343 HydrophobicContact CD1-CE 4.09Å; L315-A347 HydrophobicContact CB-CB 4.36Å; L315-A347 HydrophobicContact CD2-CB 4.09Å; L315-A347 HydrophobicContact CG-CB 4.09Å
316L98.4Very high96.5Very high11 Ų1156.2 Ų56.26%0.05833%0.326CS..Hα-helixtrans-62.6-46.2-179.1-178.362.4000111.8W312 P313 S318 C319 S320 A344 A347 A348 L351 Y360W312-L316 WeakPolarHBondContact O-CB 3.35Å; W312-L316 PolarHBondContact O-N 2.73Å; P313-L316 PolarHBondContact O-N 3.38Å; L316-S318 VanDerWaalsContact C-N 3.31Å; L316-S318 PolarHBondContact O-N 3.41Å; L316-C319 PolarHBondContact O-N 3.42Å; L316-S320 WeakPolarHBondContact O-CB 3.29Å; L316-S320 PolarHBondContact O-N 3.15Å; L316-A344 HydrophobicContact CD1-CB 4.18Å; L316-A347 HydrophobicContact CB-CB 3.83Å; L316-A347 HydrophobicContact CD1-CB 4.42Å; L316-A348 HydrophobicContact CD1-CB 4.29Å; L316-A348 HydrophobicContact CD2-CB 4.44Å; L316-L351 HydrophobicContact CB-CD1 4.16Å; L316-L351 HydrophobicContact CD2-CD1 3.76Å; L316-Y360 HydrophobicContact CD1-CE2 3.9Å
317E98.3Very high96.2Very high127 Ų12756.1 Ų56.159%0.59333%0.332SS*.Hα-helixtrans-57.5-46.3177.1-177.8-179.8-172.700111.1P313 S320 N321P313-E317 WeakPolarHBondContact O-CB 3.42Å; P313-E317 PolarHBondContact O-N 3.03Å; E317-S320 PolarHBondContact O-N 2.89Å; E317-N321 WeakPolarHBondContact O-CB 3.45Å; E317-N321 PolarHBondContact O-N 2.78Å; E317-N321 PolarHBondContact O-ND2 3.42Å; E317-N321 VanDerWaalsContact O-ND2 3.15Å
318S98Very high95.7Very high41 Ų4157.7 Ų57.729%0.28736%0.358SS..Hα-helixtrans-63.2-46.5178.6-58.30000111.9L303 A314 L315 L316 L322L303-S318 VanDerWaalsContact CD2-CB 3.48Å; A314-S318 VanDerWaalsContact O-CB 3.32Å; A314-S318 WeakPolarHBondContact O-CB 3.34Å; A314-S318 PolarHBondContact O-N 2.78Å; A314-S318 PolarHBondContact O-OG 2.93Å; L315-S318 PolarHBondContact O-N 3.17Å; L316-S318 VanDerWaalsContact C-N 3.31Å; L316-S318 PolarHBondContact O-N 3.41Å; S318-L322 WeakPolarHBondContact O-CB 3.4Å; S318-L322 WeakPolarHBondContact O-CD1 3.24Å; S318-L322 VanDerWaalsContact O-CG 3.22Å; S318-L322 WeakPolarHBondContact O-CG 3.29Å; S318-L322 PolarHBondContact O-N 3.46Å
319C98.4Very high95.4Very high0 Ų058.3 Ų58.30%035%0.353CS..Hα-helixtrans-62.3-47.1178.3-74.40000111.8L315 L316 N321 L322 L323 V340 A344L315-C319 WeakPolarHBondContact O-CB 3.45Å; L315-C319 PolarHBondContact O-N 3.33Å; L315-C319 PolarHBondContact O-SG 2.79Å; L315-C319 VanDerWaalsContact O-SG 3.36Å; L316-C319 PolarHBondContact O-N 3.42Å; C319-N321 PolarHBondContact O-N 3.35Å; C319-L322 PolarHBondContact O-N 2.78Å; C319-L323 WeakPolarHBondContact O-CB 3.4Å; C319-L323 VanDerWaalsContact O-CG 3.26Å; C319-L323 WeakPolarHBondContact O-CG 3.43Å; C319-L323 PolarHBondContact O-N 3.16Å; C319-V340 HydrophobicContact CB-CG1 3.87Å; C319-A344 HydrophobicContact CB-CB 3.73Å
320S97.4Very high95.4Very high42 Ų4251.5 Ų51.529%0.29432%0.321SS..Hα-helixtrans-61.3-45-180-173.90000111.5L316 E317 L322 L323 S324L316-S320 WeakPolarHBondContact O-CB 3.29Å; L316-S320 PolarHBondContact O-N 3.15Å; E317-S320 PolarHBondContact O-N 2.89Å; S320-L322 PolarHBondContact O-N 2.8Å; S320-L323 PolarHBondContact O-N 2.92Å; S320-S324 VanDerWaalsContact O-CB 3.25Å; S320-S324 WeakPolarHBondContact O-CB 3.39Å; S320-S324 PolarHBondContact O-N 3.36Å
321N97.4Very high95.3Very high96 Ų9650 Ų5051%0.51331%0.309SS..Hα-helixtrans-60.6-43.6175.7-73.6-26.5000112.2E317 C319 A325E317-N321 WeakPolarHBondContact O-CB 3.45Å; E317-N321 PolarHBondContact O-N 2.78Å; E317-N321 PolarHBondContact O-ND2 3.42Å; E317-N321 VanDerWaalsContact O-ND2 3.15Å; C319-N321 PolarHBondContact O-N 3.35Å; N321-A325 VanDerWaalsContact O-CB 3.31Å; N321-A325 WeakPolarHBondContact O-CB 3.48Å; N321-A325 PolarHBondContact O-N 3.46Å
322L97.2Very high95.1Very high38 Ų3848.9 Ų48.920%0.19930%0.303CS..Hα-helixtrans-66.8-43.5178.5-74.9168000112.6L296 A299 L303 S318 C319 S320 S324 A325 A326 V340L296-L322 HydrophobicContact CD2-CB 3.74Å; L296-L322 HydrophobicContact CD2-CD2 4.32Å; L296-L322 HydrophobicContact CD2-CG 4.49Å; A299-L322 HydrophobicContact CB-CD1 3.61Å; A299-L322 HydrophobicContact CB-CD2 4.24Å; L303-L322 HydrophobicContact CD1-CD1 3.92Å; L303-L322 HydrophobicContact CD2-CD1 4.28Å; L303-L322 HydrophobicContact CG-CD1 4.47Å; S318-L322 WeakPolarHBondContact O-CB 3.4Å; S318-L322 WeakPolarHBondContact O-CD1 3.24Å; S318-L322 VanDerWaalsContact O-CG 3.22Å; S318-L322 WeakPolarHBondContact O-CG 3.29Å; S318-L322 PolarHBondContact O-N 3.46Å; C319-L322 PolarHBondContact O-N 2.78Å; S320-L322 PolarHBondContact O-N 2.8Å; L322-S324 VanDerWaalsContact C-N 3.35Å; L322-A325 PolarHBondContact O-N 2.8Å; L322-A326 WeakPolarHBondContact O-CB 3.42Å; L322-A326 PolarHBondContact O-N 3.48Å; L322-V340 HydrophobicContact CB-CG1 4.47Å
323L96.5Very high94.9Very high14 Ų1449.6 Ų49.67%0.07331%0.309CS..Hα-helixtrans-66.2-38.8177.8-69.7170.5000111.7C319 S320 G327 R337 V340 T341 A344 Y360C319-L323 WeakPolarHBondContact O-CB 3.4Å; C319-L323 VanDerWaalsContact O-CG 3.26Å; C319-L323 WeakPolarHBondContact O-CG 3.43Å; C319-L323 PolarHBondContact O-N 3.16Å; S320-L323 PolarHBondContact O-N 2.92Å; L323-G327 PolarHBondContact O-N 3.41Å; L323-R337 HydrophobicContact CD2-CG 3.9Å; L323-V340 HydrophobicContact CD1-CG1 4.19Å; L323-V340 HydrophobicContact CD2-CB 4.15Å; L323-V340 HydrophobicContact CD2-CG1 3.94Å; L323-V340 HydrophobicContact CG-CG1 3.76Å; L323-T341 WeakPolarHBondContact CD2-OG1 3.41Å; L323-A344 HydrophobicContact CD1-CB 4.29Å; L323-Y360 HydrophobicContact CD1-CD1 4.17Å; L323-Y360 HydrophobicContact CD1-CE1 3.7Å
324S95.3Very high94.8Very high96 Ų9646 Ų4667%0.67129%0.285SS*.Hα-helixtrans-63.7-45.8173.7-174.70000111.5S320 L322 A326 G327S320-S324 VanDerWaalsContact O-CB 3.25Å; S320-S324 WeakPolarHBondContact O-CB 3.39Å; S320-S324 PolarHBondContact O-N 3.36Å; L322-S324 VanDerWaalsContact C-N 3.35Å; S324-A326 PolarHBondContact O-N 3.31Å; S324-G327 PolarHBondContact O-N 2.91Å; S324-G327 VanDerWaalsContact O-N 3.11Å
325A93.9Very high94.6Very high69 Ų6944.8 Ų44.857%0.5728%0.275SS*.Hα-helixtrans-65.2-37.2177.700000113.2N321 L322 G327N321-A325 VanDerWaalsContact O-CB 3.31Å; N321-A325 WeakPolarHBondContact O-CB 3.48Å; N321-A325 PolarHBondContact O-N 3.46Å; L322-A325 PolarHBondContact O-N 2.8Å; A325-G327 PolarHBondContact O-N 3.09Å
326A92.9Very high94.5Very high3 Ų344.9 Ų44.93%0.02528%0.276CS..Hα-helixtrans-64.4-27173.800000112.3K292 L296 L322 S324 L330K292-A326 WeakPolarHBondContact CD-O 3.31Å; L296-A326 HydrophobicContact CD1-CB 4.34Å; L296-A326 HydrophobicContact CD2-CB 4.48Å; L322-A326 WeakPolarHBondContact O-CB 3.42Å; L322-A326 PolarHBondContact O-N 3.48Å; S324-A326 PolarHBondContact O-N 3.31Å; A326-L330 HydrophobicContact CB-CB 4.42Å; A326-L330 HydrophobicContact CB-CD2 3.98Å
327G89.7Confident94.4Very high26 Ų2645.3 Ų45.327%0.26828%0.277SS..  trans67.2-179.2177.900000113.7L323 S324 A325 E329 R337L323-G327 PolarHBondContact O-N 3.41Å; S324-G327 PolarHBondContact O-N 2.91Å; S324-G327 VanDerWaalsContact O-N 3.11Å; A325-G327 PolarHBondContact O-N 3.09Å; G327-E329 VanDerWaalsContact C-N 3.26Å; G327-E329 PolarHBondContact O-N 3.44Å; G327-R337 PolarHBondContact O-NH1 3.06Å
328A85Confident94.4Very high103 Ų10339.5 Ų39.585%0.85125%0.249SC*.THydrogen-bonded Turntrans-76.7-10.7-177.900000114.1L330A328-L330 VanDerWaalsContact C-N 3.34Å
329E86Confident94.3Very high132 Ų13241 Ų4162%0.61725%0.249SC*.THydrogen-bonded Turntrans-76.2-23.7-179.1-65.2173.6178.400112.6K292 G327 P331K292-E329 IonicContact NZ-OE2 3.76Å; K292-E329 PolarHBondContact NZ-OE2 3.46Å; G327-E329 VanDerWaalsContact C-N 3.26Å; G327-E329 PolarHBondContact O-N 3.44Å; E329-P331 WeakPolarHBondContact O-CD 3.28Å
330L93.1Very high94.3Very high1 Ų141 Ų411%0.00525%0.249CC..SBendtrans-83.8113.8171.2-17269.2000108.3W293 L296 A326 A328 N334 R337W293-L330 HydrophobicContact CB-CD1 3.93Å; W293-L330 HydrophobicContact CB-CD2 4.07Å; W293-L330 HydrophobicContact CG-CD1 4.45Å; L296-L330 HydrophobicContact CD1-CD2 3.56Å; A326-L330 HydrophobicContact CB-CB 4.42Å; A326-L330 HydrophobicContact CB-CD2 3.98Å; A328-L330 VanDerWaalsContact C-N 3.34Å; L330-N334 HydrophobicContact CD1-CB 4.03Å; L330-N334 HydrophobicContact CG-CB 4.12Å; L330-R337 HydrophobicContact CD2-CB 3.9Å; L330-R337 HydrophobicContact CD2-CG 4.42Å; L330-R337 HydrophobicContact CG-CB 4.34Å; L330-R337 WeakPolarHBondContact O-CD 3.41Å; L330-R337 PolarHBondContact O-NE 2.98Å
331P93.7Very high94.3Very high37 Ų3739 Ų3924%0.2424%0.235CC..  trans-65.6146.2-175.427-34.6000111.4S287 E329 E333 N334 R337S287-P331 WeakPolarHBondContact OG-CG 3.49Å; E329-P331 WeakPolarHBondContact O-CD 3.28Å; P331-E333 WeakPolarHBondContact CB-OE2 3.29Å; P331-E333 PolarHBondContact O-N 2.95Å; P331-E333 VanDerWaalsContact O-N 3.16Å; P331-N334 HydrophobicContact CG-CB 4.45Å; P331-N334 VanDerWaalsContact O-CB 3.22Å; P331-N334 WeakPolarHBondContact O-CB 3.17Å; P331-N334 PolarHBondContact O-N 3.12Å; P331-R337 WeakPolarHBondContact O-CD 3.33Å
332D93.3Very high94.2Very high41 Ų4136 Ų3622%0.21922%0.219CC..THydrogen-bonded Turntrans-61.3-23.1178.7-67.6-28.6000112.1N334 R337D332-N334 PolarHBondContact O-N 2.95Å; D332-R337 IonicContact OD1-CZ 3.67Å; D332-R337 VanDerWaalsContact OD1-CZ 3.3Å; D332-R337 IonicContact OD1-NE 3.59Å; D332-R337 PolarHBondContact OD1-NE 3.02Å; D332-R337 IonicContact OD1-NH2 3.33Å; D332-R337 PolarHBondContact OD1-NH2 2.97Å
333E93.6Very high94.3Very high63 Ų6334.7 Ų34.729%0.29421%0.212SC..THydrogen-bonded Turntrans-72.5-10.8172.8-59.384174.300114P331 L335 A367 L370 F371P331-E333 WeakPolarHBondContact CB-OE2 3.29Å; P331-E333 PolarHBondContact O-N 2.95Å; P331-E333 VanDerWaalsContact O-N 3.16Å; E333-L335 PolarHBondContact O-N 3.48Å; E333-A367 HydrophobicContact CB-CB 4.39Å; E333-A367 HydrophobicContact CG-CB 4.22Å; E333-L370 HydrophobicContact CB-CD2 4.32Å; E333-L370 HydrophobicContact CG-CD2 4.03Å; E333-F371 HydrophobicContact CB-CE2 4.2Å; E333-F371 HydrophobicContact CB-CZ 4.22Å; E333-F371 WeakPolarHBondContact O-CE2 3.43Å; E333-F371 WeakPolarHBondContact O-CZ 3.42Å
334N95.6Very high94.3Very high0 Ų034 Ų340%021%0.208CC..SBendtrans-63.5130.5171-179.7-80.7000110I285 S287 L330 P331 D332 Y336 R337 L338I285-N334 WeakPolarHBondContact O-CA 3.37Å; S287-N334 PolarHBondContact O-ND2 3.11Å; L330-N334 HydrophobicContact CD1-CB 4.03Å; L330-N334 HydrophobicContact CG-CB 4.12Å; P331-N334 HydrophobicContact CG-CB 4.45Å; P331-N334 VanDerWaalsContact O-CB 3.22Å; P331-N334 WeakPolarHBondContact O-CB 3.17Å; P331-N334 PolarHBondContact O-N 3.12Å; D332-N334 PolarHBondContact O-N 2.95Å; N334-Y336 VanDerWaalsContact C-N 3.32Å; N334-Y336 PolarHBondContact O-N 2.69Å; N334-Y336 PolarHBondContact OD1-N 3.38Å; N334-R337 HydrophobicContact CB-CB 4.08Å; N334-R337 PolarHBondContact O-N 2.8Å; N334-R337 PolarHBondContact OD1-N 3.35Å; N334-L338 WeakPolarHBondContact O-CB 3.41Å; N334-L338 PolarHBondContact O-N 3.12Å
335L95.3Very high94.5Very high0 Ų029.5 Ų29.50%018%0.177CC..Hα-helixtrans-52.3-46.8-176.7-18059.6000113.8L253 L255 I285 E333 R339L253-L335 HydrophobicContact CD1-CD1 3.94Å; L253-L335 HydrophobicContact CG-CD1 3.78Å; L253-L335 WeakPolarHBondContact O-CD1 3.21Å; L255-L335 HydrophobicContact CG-CD2 4.26Å; I285-L335 HydrophobicContact CG2-CB 3.54Å; I285-L335 HydrophobicContact CG2-CD1 4.47Å; I285-L335 HydrophobicContact CG2-CD2 3.79Å; I285-L335 HydrophobicContact CG2-CG 4.13Å; I285-L335 PolarHBondContact O-N 2.96Å; E333-L335 PolarHBondContact O-N 3.48Å; L335-R339 HydrophobicContact CD1-CG 4.46Å; L335-R339 WeakPolarHBondContact O-CG 3.37Å; L335-R339 PolarHBondContact O-N 3.28Å
336Y96.3Very high94.6Very high2 Ų227.7 Ų27.71%0.00816%0.158CC..Hα-helixtrans-75.7-35.8-173.4-58.9-59.8000110.7L286 W293 K297 L300 N334 R339 V340L286-Y336 HydrophobicContact CD2-CD2 4.13Å; L286-Y336 HydrophobicContact CD2-CE2 3.49Å; L286-Y336 VanDerWaalsContact CD2-CE2 3.49Å; W293-Y336 HydrophobicContact CB-CD2 4.09Å; W293-Y336 HydrophobicContact CD2-CD2 4.09Å; W293-Y336 HydrophobicContact CD2-CE2 4.27Å; W293-Y336 AromaticContact CE3-CD2 3.54Å; W293-Y336 HydrophobicContact CE3-CD2 3.54Å; W293-Y336 AromaticContact CE3-CE2 3.45Å; W293-Y336 HydrophobicContact CE3-CE2 3.45Å; W293-Y336 VanDerWaalsContact CE3-CE2 3.45Å; W293-Y336 HydrophobicContact CG-CD2 4.34Å; W293-Y336 HydrophobicContact CZ3-CD2 4.38Å; W293-Y336 AromaticContact CZ3-CE2 3.83Å; W293-Y336 HydrophobicContact CZ3-CE2 3.83Å; K297-Y336 HydrophobicContact CB-CD1 3.88Å; K297-Y336 HydrophobicContact CB-CD2 4.11Å; K297-Y336 HydrophobicContact CB-CE1 3.91Å; K297-Y336 HydrophobicContact CB-CE2 4.09Å; K297-Y336 HydrophobicContact CB-CG 4Å; K297-Y336 HydrophobicContact CD-CE1 4.01Å; K297-Y336 HydrophobicContact CD-CE2 3.93Å; K297-Y336 WeakPolarHBondContact CD-OH 3.46Å; K297-Y336 VanDerWaalsContact CE-OH 3.25Å; K297-Y336 WeakPolarHBondContact CE-OH 3.26Å; K297-Y336 HydrophobicContact CG-CD1 4.13Å; K297-Y336 HydrophobicContact CG-CE1 3.65Å; K297-Y336 HydrophobicContact CG-CE2 4.24Å; K297-Y336 PolarHBondContact NZ-OH 3.14Å; K297-Y336 VanDerWaalsContact NZ-OH 3.13Å; L300-Y336 HydrophobicContact CD1-CD1 3.76Å; L300-Y336 HydrophobicContact CD1-CE1 4.28Å; N334-Y336 VanDerWaalsContact C-N 3.32Å; N334-Y336 PolarHBondContact O-N 2.69Å; N334-Y336 PolarHBondContact OD1-N 3.38Å; Y336-R339 PolarHBondContact O-N 2.99Å; Y336-V340 WeakPolarHBondContact O-CG2 3.11Å; Y336-V340 PolarHBondContact O-N 3.49Å; Y336-V340 VanDerWaalsContact O-N 3.11Å
337R96.4Very high94.8Very high21 Ų2127.6 Ų27.68%0.07916%0.156CC..Hα-helixtrans-61.3-50.8170.3-172.8171.7169.693.81.9111.2L296 L323 G327 L330 P331 D332 N334 R339 V340 T341L296-R337 HydrophobicContact CD1-CB 4.02Å; L323-R337 HydrophobicContact CD2-CG 3.9Å; G327-R337 PolarHBondContact O-NH1 3.06Å; L330-R337 HydrophobicContact CD2-CB 3.9Å; L330-R337 HydrophobicContact CD2-CG 4.42Å; L330-R337 HydrophobicContact CG-CB 4.34Å; L330-R337 WeakPolarHBondContact O-CD 3.41Å; L330-R337 PolarHBondContact O-NE 2.98Å; P331-R337 WeakPolarHBondContact O-CD 3.33Å; D332-R337 IonicContact OD1-CZ 3.67Å; D332-R337 VanDerWaalsContact OD1-CZ 3.3Å; D332-R337 IonicContact OD1-NE 3.59Å; D332-R337 PolarHBondContact OD1-NE 3.02Å; D332-R337 IonicContact OD1-NH2 3.33Å; D332-R337 PolarHBondContact OD1-NH2 2.97Å; N334-R337 HydrophobicContact CB-CB 4.08Å; N334-R337 PolarHBondContact O-N 2.8Å; N334-R337 PolarHBondContact OD1-N 3.35Å; R337-R339 VanDerWaalsContact C-N 3.33Å; R337-R339 PolarHBondContact O-N 3.5Å; R337-V340 PolarHBondContact O-N 3.04Å; R337-V340 VanDerWaalsContact O-N 3.17Å; R337-T341 WeakPolarHBondContact O-CB 3.46Å; R337-T341 PolarHBondContact O-N 3.41Å; R337-T341 PolarHBondContact O-OG1 3Å
338L96.8Very high95.2Very high4 Ų426.3 Ų26.32%0.02114%0.144CC..Hα-helixtrans-56-44.7178-179.262.5000112.6L253 N334 T341 D342 T364 A367 Y368L253-L338 HydrophobicContact CD1-CD2 4.48Å; L253-L338 HydrophobicContact CD2-CD2 3.41Å; L253-L338 VanDerWaalsContact CD2-CD2 3.41Å; L253-L338 HydrophobicContact CG-CD2 4.42Å; N334-L338 WeakPolarHBondContact O-CB 3.41Å; N334-L338 PolarHBondContact O-N 3.12Å; L338-T341 PolarHBondContact O-N 2.93Å; L338-D342 WeakPolarHBondContact O-CB 3.3Å; L338-D342 PolarHBondContact O-N 3.2Å; L338-T364 HydrophobicContact CD1-CG2 3.91Å; L338-A367 HydrophobicContact CD1-CB 3.82Å; L338-A367 HydrophobicContact CD2-CB 3.63Å; L338-A367 HydrophobicContact CG-CB 4.24Å; L338-Y368 HydrophobicContact CD1-CD2 4.08Å; L338-Y368 HydrophobicContact CD1-CE2 3.96Å; L338-Y368 HydrophobicContact CD2-CD2 4.37Å; L338-Y368 HydrophobicContact CD2-CE2 4.35Å; L338-Y368 HydrophobicContact CG-CE2 4.41Å
339R96.4Very high95.8Very high72 Ų7223.6 Ų23.627%0.27212%0.116SC..Hα-helixtrans-61.9-44.9177.4-76.4-177.6-177.4-174.26.6112.1L253 E258 L300 L335 Y336 R337 D342 M343L253-R339 PolarHBondContact O-NH2 2.89Å; E258-R339 IonicContact OE2-NH2 2.8Å; L300-R339 HydrophobicContact CD2-CB 4.04Å; L335-R339 HydrophobicContact CD1-CG 4.46Å; L335-R339 WeakPolarHBondContact O-CG 3.37Å; L335-R339 PolarHBondContact O-N 3.28Å; Y336-R339 PolarHBondContact O-N 2.99Å; R337-R339 VanDerWaalsContact C-N 3.33Å; R337-R339 PolarHBondContact O-N 3.5Å; R339-D342 PolarHBondContact O-N 3.4Å; R339-M343 VanDerWaalsContact O-CG 3.27Å; R339-M343 WeakPolarHBondContact O-CG 3.36Å; R339-M343 PolarHBondContact O-N 2.85Å; R339-M343 VanDerWaalsContact O-N 3.07Å
340V97.8Very high96.3Very high0 Ų023 Ų230%011%0.113CC..Hα-helixtrans-66-40177.8176.90000110.9L296 L300 L303 C319 L322 L323 Y336 R337 M343 A344L296-V340 HydrophobicContact CB-CG2 4.29Å; L296-V340 HydrophobicContact CD2-CG2 4.37Å; L300-V340 HydrophobicContact CD2-CG2 4.1Å; L303-V340 HydrophobicContact CD1-CG1 4.35Å; L303-V340 HydrophobicContact CD1-CG2 3.96Å; C319-V340 HydrophobicContact CB-CG1 3.87Å; L322-V340 HydrophobicContact CB-CG1 4.47Å; L323-V340 HydrophobicContact CD1-CG1 4.19Å; L323-V340 HydrophobicContact CD2-CB 4.15Å; L323-V340 HydrophobicContact CD2-CG1 3.94Å; L323-V340 HydrophobicContact CG-CG1 3.76Å; Y336-V340 WeakPolarHBondContact O-CG2 3.11Å; Y336-V340 PolarHBondContact O-N 3.49Å; Y336-V340 VanDerWaalsContact O-N 3.11Å; R337-V340 PolarHBondContact O-N 3.04Å; R337-V340 VanDerWaalsContact O-N 3.17Å; V340-M343 PolarHBondContact O-N 3.44Å; V340-A344 WeakPolarHBondContact O-CB 3.42Å; V340-A344 PolarHBondContact O-N 3.41Å
341T97.9Very high96.5Very high2 Ų226.1 Ų26.11%0.01213%0.13CC..Hα-helixtrans-62-42.6174.8-590000112.1L323 R337 L338 M343 A344 L345 Y360 Q363 T364L323-T341 WeakPolarHBondContact CD2-OG1 3.41Å; R337-T341 WeakPolarHBondContact O-CB 3.46Å; R337-T341 PolarHBondContact O-N 3.41Å; R337-T341 PolarHBondContact O-OG1 3Å; L338-T341 PolarHBondContact O-N 2.93Å; T341-M343 PolarHBondContact O-N 3.43Å; T341-A344 WeakPolarHBondContact O-CB 3.46Å; T341-A344 PolarHBondContact O-N 2.48Å; T341-L345 WeakPolarHBondContact O-CB 3.37Å; T341-L345 PolarHBondContact O-N 2.98Å; T341-Y360 HydrophobicContact CG2-CD1 4.05Å; T341-Y360 HydrophobicContact CG2-CG 4.37Å; T341-Y360 WeakPolarHBondContact CG2-O 3.32Å; T341-Q363 HydrophobicContact CG2-CB 4.07Å; T341-T364 HydrophobicContact CG2-CG2 3.79Å
342D96.7Very high96.7Very high31 Ų3125.8 Ų25.817%0.16613%0.133CC..Hα-helixtrans-65.3-37.7176.8-171.275.6000112.1L338 R339 L345 D346 Y368 R385L338-D342 WeakPolarHBondContact O-CB 3.3Å; L338-D342 PolarHBondContact O-N 3.2Å; R339-D342 PolarHBondContact O-N 3.4Å; D342-L345 WeakPolarHBondContact O-CB 3.34Å; D342-L345 PolarHBondContact O-N 2.85Å; D342-D346 PolarHBondContact O-N 3.43Å; D342-Y368 PolarHBondContact OD1-OH 3.26Å; D342-R385 IonicContact OD1-NH1 3.35Å
343M97.4Very high96.9Very high11 Ų1127.6 Ų27.65%0.05414%0.14CC..Hα-helixtrans-67.5-37.4173.3-65.5174.58700112.6L300 L303 E304 K307 L315 R339 V340 T341 D346 A347L300-M343 HydrophobicContact CD2-SD 4.13Å; L303-M343 HydrophobicContact CB-CE 3.43Å; L303-M343 VanDerWaalsContact CB-CE 3.43Å; L303-M343 HydrophobicContact CB-SD 3.97Å; L303-M343 HydrophobicContact CD1-SD 4.39Å; L303-M343 WeakPolarHBondContact O-CE 3.39Å; E304-M343 HydrophobicContact CG-CE 4.07Å; K307-M343 HydrophobicContact CB-CE 4.3Å; K307-M343 HydrophobicContact CD-CE 4.32Å; L315-M343 HydrophobicContact CD1-CB 4.48Å; L315-M343 HydrophobicContact CD1-CE 4.09Å; R339-M343 VanDerWaalsContact O-CG 3.27Å; R339-M343 WeakPolarHBondContact O-CG 3.36Å; R339-M343 PolarHBondContact O-N 2.85Å; R339-M343 VanDerWaalsContact O-N 3.07Å; V340-M343 PolarHBondContact O-N 3.44Å; T341-M343 PolarHBondContact O-N 3.43Å; M343-D346 PolarHBondContact O-N 2.87Å; M343-A347 WeakPolarHBondContact O-CB 3.36Å; M343-A347 PolarHBondContact O-N 3.4Å
344A98.3Very high97.1Very high0 Ų028.8 Ų28.80%014%0.142CC..Hα-helixtrans-64.6-44.1174.300000111.2L316 C319 L323 V340 T341 D346 A347 A348 Y360L316-A344 HydrophobicContact CD1-CB 4.18Å; C319-A344 HydrophobicContact CB-CB 3.73Å; L323-A344 HydrophobicContact CD1-CB 4.29Å; V340-A344 WeakPolarHBondContact O-CB 3.42Å; V340-A344 PolarHBondContact O-N 3.41Å; T341-A344 WeakPolarHBondContact O-CB 3.46Å; T341-A344 PolarHBondContact O-N 2.48Å; A344-D346 PolarHBondContact O-N 3.02Å; A344-A347 PolarHBondContact O-N 3Å; A344-A348 WeakPolarHBondContact O-CB 3.24Å; A344-A348 PolarHBondContact O-N 3.02Å; A344-Y360 HydrophobicContact CB-CD1 4.14Å; A344-Y360 HydrophobicContact CB-CD2 3.66Å; A344-Y360 HydrophobicContact CB-CE1 4.09Å; A344-Y360 HydrophobicContact CB-CE2 3.59Å; A344-Y360 HydrophobicContact CB-CG 3.95Å
345L98Very high97.2Very high2 Ų234.7 Ų34.71%0.0117%0.17CC..Hα-helixtrans-55-51.6172.6166.564.1000111.2T341 D342 A347 A348 V349 A357 L389T341-L345 WeakPolarHBondContact O-CB 3.37Å; T341-L345 PolarHBondContact O-N 2.98Å; D342-L345 WeakPolarHBondContact O-CB 3.34Å; D342-L345 PolarHBondContact O-N 2.85Å; L345-A347 VanDerWaalsContact C-N 3.34Å; L345-A347 PolarHBondContact O-N 2.9Å; L345-A348 PolarHBondContact O-N 2.87Å; L345-V349 HydrophobicContact CD1-CG2 4.12Å; L345-V349 WeakPolarHBondContact O-CG2 3.41Å; L345-V349 PolarHBondContact O-N 2.74Å; L345-A357 HydrophobicContact CD1-CB 4.08Å; L345-A357 WeakPolarHBondContact CD1-O 3.41Å; L345-L389 HydrophobicContact CD1-CD1 3.9Å
346D95.9Very high97.3Very high31 Ų3137.5 Ų37.517%0.16618%0.183CC..Hα-helixtrans-57.7-46.8178.2-81.1-7.4000111.6K307 D342 M343 A344 V349 Q350 R385K307-D346 VanDerWaalsContact CE-OD2 3.31Å; K307-D346 WeakPolarHBondContact CE-OD2 3.42Å; K307-D346 IonicContact NZ-OD2 3.77Å; K307-D346 PolarHBondContact NZ-OD2 2.98Å; D342-D346 PolarHBondContact O-N 3.43Å; M343-D346 PolarHBondContact O-N 2.87Å; A344-D346 PolarHBondContact O-N 3.02Å; D346-V349 PolarHBondContact O-N 3.36Å; D346-Q350 VanDerWaalsContact O-CG 3.28Å; D346-Q350 WeakPolarHBondContact O-CG 3.21Å; D346-Q350 PolarHBondContact O-N 3.35Å; D346-R385 IonicContact OD1-CZ 3.43Å; D346-R385 IonicContact OD1-NH1 2.69Å; D346-R385 IonicContact OD1-NH2 3.21Å; D346-R385 PolarHBondContact OD1-NH2 3.4Å
347A98.1Very high97.4Very high0 Ų037.4 Ų37.40%018%0.182CC..Hα-helixtrans-64.5-44.4-179.700000112.3W312 L315 L316 M343 A344 L345 V349 Q350 L351W312-A347 HydrophobicContact CE3-CB 4.15Å; L315-A347 HydrophobicContact CB-CB 4.36Å; L315-A347 HydrophobicContact CD2-CB 4.09Å; L315-A347 HydrophobicContact CG-CB 4.09Å; L316-A347 HydrophobicContact CB-CB 3.83Å; L316-A347 HydrophobicContact CD1-CB 4.42Å; M343-A347 WeakPolarHBondContact O-CB 3.36Å; M343-A347 PolarHBondContact O-N 3.4Å; A344-A347 PolarHBondContact O-N 3Å; L345-A347 VanDerWaalsContact C-N 3.34Å; L345-A347 PolarHBondContact O-N 2.9Å; A347-V349 VanDerWaalsContact C-N 3.34Å; A347-V349 PolarHBondContact O-N 2.94Å; A347-Q350 PolarHBondContact O-N 3.48Å; A347-L351 VanDerWaalsContact O-CG 3.32Å; A347-L351 WeakPolarHBondContact O-CG 3.37Å; A347-L351 PolarHBondContact O-N 3.39Å
348A98.3Very high97.5Very high0 Ų036.9 Ų36.90%018%0.181CC..Hα-helixtrans-61.7-40.4177.400000111.9L316 A344 L345 L351 G352 Q353 A357L316-A348 HydrophobicContact CD1-CB 4.29Å; L316-A348 HydrophobicContact CD2-CB 4.44Å; A344-A348 WeakPolarHBondContact O-CB 3.24Å; A344-A348 PolarHBondContact O-N 3.02Å; L345-A348 PolarHBondContact O-N 2.87Å; A348-L351 PolarHBondContact O-N 2.91Å; A348-G352 PolarHBondContact O-N 3.46Å; A348-Q353 HydrophobicContact CB-CB 4.36Å; A348-Q353 PolarHBondContact O-N 3.28Å; A348-A357 HydrophobicContact CB-CB 3.8Å
349V96.8Very high97.6Very high46 Ų4640.2 Ų40.228%0.27920%0.202SC..Hα-helixtrans-61.2-45.1173.4167.70000111.3L345 D346 A347 L351 G352 W354 A357 L389L345-V349 HydrophobicContact CD1-CG2 4.12Å; L345-V349 WeakPolarHBondContact O-CG2 3.41Å; L345-V349 PolarHBondContact O-N 2.74Å; D346-V349 PolarHBondContact O-N 3.36Å; A347-V349 VanDerWaalsContact C-N 3.34Å; A347-V349 PolarHBondContact O-N 2.94Å; V349-L351 VanDerWaalsContact C-N 3.26Å; V349-L351 PolarHBondContact O-N 3.49Å; V349-G352 PolarHBondContact O-N 3.19Å; V349-W354 HydrophobicContact CG1-CZ3 4.27Å; V349-A357 HydrophobicContact CG2-CB 3.82Å; V349-L389 HydrophobicContact CG2-CD2 4.32Å
350Q96.3Very high97.7Very high119 Ų11937.8 Ų37.856%0.55619%0.193SC*.Hα-helixtrans-67.4-27.3179.8-66.1-64.8-33.400113W312 D346 A347W312-Q350 HydrophobicContact CB-CB 4.24Å; W312-Q350 HydrophobicContact CD2-CB 3.7Å; W312-Q350 HydrophobicContact CD2-CG 3.77Å; W312-Q350 HydrophobicContact CE3-CB 4.31Å; W312-Q350 HydrophobicContact CE3-CG 4.12Å; W312-Q350 HydrophobicContact CG-CB 3.62Å; W312-Q350 HydrophobicContact CG-CG 4.23Å; W312-Q350 HydrophobicContact CH2-CG 4.25Å; W312-Q350 HydrophobicContact CZ2-CG 3.9Å; W312-Q350 HydrophobicContact CZ3-CG 4.34Å; D346-Q350 VanDerWaalsContact O-CG 3.28Å; D346-Q350 WeakPolarHBondContact O-CG 3.21Å; D346-Q350 PolarHBondContact O-N 3.35Å; A347-Q350 PolarHBondContact O-N 3.48Å
351L97.6Very high97.7Very high66 Ų6637.8 Ų37.835%0.34619%0.193SC..Hα-helixtrans-87.7-6.1175.9-66.1172.6000113.7W312 P313 L316 A347 A348 V349 Q353W312-L351 HydrophobicContact CB-CD1 4.34Å; W312-L351 HydrophobicContact CB-CD2 3.93Å; W312-L351 HydrophobicContact CB-CG 3.91Å; P313-L351 HydrophobicContact CG-CD2 3.87Å; L316-L351 HydrophobicContact CB-CD1 4.16Å; L316-L351 HydrophobicContact CD2-CD1 3.76Å; A347-L351 VanDerWaalsContact O-CG 3.32Å; A347-L351 WeakPolarHBondContact O-CG 3.37Å; A347-L351 PolarHBondContact O-N 3.39Å; A348-L351 PolarHBondContact O-N 2.91Å; V349-L351 VanDerWaalsContact C-N 3.26Å; V349-L351 PolarHBondContact O-N 3.49Å; L351-Q353 VanDerWaalsContact C-N 3.31Å; L351-Q353 HydrophobicContact CB-CG 4.26Å
352G97.5Very high97.7Very high30 Ų3041.7 Ų41.731%0.30921%0.21SC..THydrogen-bonded Turntrans70.424-176.600000114.3A348 V349 W354A348-G352 PolarHBondContact O-N 3.46Å; V349-G352 PolarHBondContact O-N 3.19Å; G352-W354 PolarHBondContact O-N 3.4Å; G352-W354 PolarHBondContact O-NE1 2.74Å
353Q97.9Very high97.6Very high79 Ų7942.9 Ų42.937%0.36921%0.214SC..  trans-90.276.8176.3-69.6172.6-34.600109.7A348 L351 E355 E356 A357A348-Q353 HydrophobicContact CB-CB 4.36Å; A348-Q353 PolarHBondContact O-N 3.28Å; L351-Q353 VanDerWaalsContact C-N 3.31Å; L351-Q353 HydrophobicContact CB-CG 4.26Å; Q353-E355 PolarHBondContact O-N 3.42Å; Q353-E356 HydrophobicContact CB-CB 4.41Å; Q353-E356 PolarHBondContact O-N 2.87Å; Q353-A357 WeakPolarHBondContact O-CB 3.3Å; Q353-A357 PolarHBondContact O-N 3.37Å
354W97.9Very high97.6Very high88 Ų8842.3 Ų42.333%0.33321%0.211SC..Hα-helixtrans-67-38.8-165.6-51.4118.8000113.9V349 G352 A357 L358 L389 H392 L393V349-W354 HydrophobicContact CG1-CZ3 4.27Å; G352-W354 PolarHBondContact O-N 3.4Å; G352-W354 PolarHBondContact O-NE1 2.74Å; W354-A357 PolarHBondContact O-N 3.44Å; W354-L358 WeakPolarHBondContact O-CB 3.39Å; W354-L358 PolarHBondContact O-N 3.43Å; W354-L389 HydrophobicContact CE3-CD2 4.02Å; W354-H392 AromaticContact CD1-CD2 3.76Å; W354-H392 AromaticContact CD1-NE2 3.35Å; W354-H392 VanDerWaalsContact CD1-NE2 3.35Å; W354-H392 AromaticContact CD2-CD2 3.91Å; W354-H392 AromaticContact CD2-NE2 3.8Å; W354-H392 AromaticContact CE2-NE2 3.62Å; W354-H392 AromaticContact CG-CD2 3.62Å; W354-H392 AromaticContact CG-NE2 3.64Å; W354-H392 AromaticContact NE1-NE2 3.32Å; W354-H392 PolarHBondContact NE1-NE2 2.85Å; W354-L393 HydrophobicContact CB-CD1 4.37Å; W354-L393 HydrophobicContact CB-CD2 3.86Å; W354-L393 HydrophobicContact CB-CG 4.21Å
355E98.1Very high97.4Very high124 Ų12443.6 Ų43.658%0.57922%0.218SC*.Hα-helixtrans-67.3-41.1179.6-64.482.4175.100111.8Q353 L358 T359 L393Q353-E355 PolarHBondContact O-N 3.42Å; E355-L358 PolarHBondContact O-N 3.17Å; E355-T359 PolarHBondContact O-N 3.39Å; E355-T359 VanDerWaalsContact O-N 3.09Å; E355-T359 PolarHBondContact O-OG1 3.02Å; E355-L393 HydrophobicContact CG-CD1 4.4Å; E355-L393 HydrophobicContact CG-CD2 4Å
356E97.6Very high97.1Very high59 Ų5946.1 Ų46.128%0.27624%0.235SC..Hα-helixtrans-69.3-43.1176.4-160.8-178.8168.100110.5Q353 L358 T359 Y360Q353-E356 HydrophobicContact CB-CB 4.41Å; Q353-E356 PolarHBondContact O-N 2.87Å; E356-L358 VanDerWaalsContact C-N 3.33Å; E356-L358 PolarHBondContact O-N 2.93Å; E356-T359 WeakPolarHBondContact O-CB 3.31Å; E356-T359 PolarHBondContact O-N 3.37Å; E356-T359 VanDerWaalsContact O-N 3.1Å; E356-Y360 HydrophobicContact CG-CD2 4.14Å; E356-Y360 HydrophobicContact CG-CE2 3.48Å; E356-Y360 VanDerWaalsContact CG-CE2 3.48Å; E356-Y360 WeakPolarHBondContact O-CD2 3.22Å; E356-Y360 PolarHBondContact O-N 2.85Å; E356-Y360 VanDerWaalsContact OE1-CE2 3.28Å; E356-Y360 WeakPolarHBondContact OE1-CE2 3.37Å; E356-Y360 PolarHBondContact OE1-OH 3.02Å
357A98.4Very high97Very high0 Ų044.7 Ų44.70%023%0.227CC..Hα-helixtrans-56.5-45.6172.600000111.7L345 A348 V349 Q353 W354 T359 Y360 G361 L389L345-A357 HydrophobicContact CD1-CB 4.08Å; L345-A357 WeakPolarHBondContact CD1-O 3.41Å; A348-A357 HydrophobicContact CB-CB 3.8Å; V349-A357 HydrophobicContact CG2-CB 3.82Å; Q353-A357 WeakPolarHBondContact O-CB 3.3Å; Q353-A357 PolarHBondContact O-N 3.37Å; W354-A357 PolarHBondContact O-N 3.44Å; A357-T359 VanDerWaalsContact C-N 3.27Å; A357-T359 PolarHBondContact O-N 2.92Å; A357-Y360 PolarHBondContact O-N 3.02Å; A357-G361 PolarHBondContact O-N 2.76Å; A357-L389 HydrophobicContact CB-CD1 4.12Å; A357-L389 HydrophobicContact CB-CD2 4.04Å
358L98.6Very high96.8Very high10 Ų1045.7 Ų45.75%0.05223%0.231CC..Hα-helixtrans-61.8-38.2177.3178.758.7000111.7W354 E355 E356 G361 K362 V386 L389 Q390 L393W354-L358 WeakPolarHBondContact O-CB 3.39Å; W354-L358 PolarHBondContact O-N 3.43Å; E355-L358 PolarHBondContact O-N 3.17Å; E356-L358 VanDerWaalsContact C-N 3.33Å; E356-L358 PolarHBondContact O-N 2.93Å; L358-G361 PolarHBondContact O-N 3.31Å; L358-K362 HydrophobicContact CD1-CD 4.26Å; L358-K362 HydrophobicContact CD1-CG 4.03Å; L358-K362 HydrophobicContact CG-CD 4.34Å; L358-K362 HydrophobicContact CG-CG 4.47Å; L358-K362 WeakPolarHBondContact O-CG 3.47Å; L358-K362 PolarHBondContact O-N 3.44Å; L358-V386 HydrophobicContact CD1-CG1 3.96Å; L358-L389 HydrophobicContact CB-CB 4.27Å; L358-L389 HydrophobicContact CD1-CB 4Å; L358-Q390 HydrophobicContact CD1-CG 3.58Å; L358-Q390 HydrophobicContact CD2-CG 4.12Å; L358-L393 HydrophobicContact CB-CD1 3.87Å; L358-L393 HydrophobicContact CD2-CD1 3.63Å; L358-L393 HydrophobicContact CG-CD1 4.37Å
359T97.8Very high96.5Very high75 Ų7551.8 Ų51.846%0.4625%0.254SS..Hα-helixtrans-61.8-53.2178.5-590000111.1E355 E356 A357 G361 K362 Q363E355-T359 PolarHBondContact O-N 3.39Å; E355-T359 VanDerWaalsContact O-N 3.09Å; E355-T359 PolarHBondContact O-OG1 3.02Å; E356-T359 WeakPolarHBondContact O-CB 3.31Å; E356-T359 PolarHBondContact O-N 3.37Å; E356-T359 VanDerWaalsContact O-N 3.1Å; A357-T359 VanDerWaalsContact C-N 3.27Å; A357-T359 PolarHBondContact O-N 2.92Å; T359-G361 VanDerWaalsContact C-N 3.33Å; T359-G361 PolarHBondContact O-N 3.03Å; T359-K362 PolarHBondContact O-N 3.29Å; T359-Q363 WeakPolarHBondContact O-CG 2.91Å; T359-Q363 PolarHBondContact O-N 3.1Å; T359-Q363 VanDerWaalsContact O-N 3.15Å
360Y98.2Very high96.2Very high20 Ų2054.4 Ų54.48%0.07827%0.266CS..Hα-helixtrans-62.2-41.1175.8-64-51.2000111.7L316 L323 T341 A344 E356 A357 K362 Q363 T364L316-Y360 HydrophobicContact CD1-CE2 3.9Å; L323-Y360 HydrophobicContact CD1-CD1 4.17Å; L323-Y360 HydrophobicContact CD1-CE1 3.7Å; T341-Y360 HydrophobicContact CG2-CD1 4.05Å; T341-Y360 HydrophobicContact CG2-CG 4.37Å; T341-Y360 WeakPolarHBondContact CG2-O 3.32Å; A344-Y360 HydrophobicContact CB-CD1 4.14Å; A344-Y360 HydrophobicContact CB-CD2 3.66Å; A344-Y360 HydrophobicContact CB-CE1 4.09Å; A344-Y360 HydrophobicContact CB-CE2 3.59Å; A344-Y360 HydrophobicContact CB-CG 3.95Å; E356-Y360 HydrophobicContact CG-CD2 4.14Å; E356-Y360 HydrophobicContact CG-CE2 3.48Å; E356-Y360 VanDerWaalsContact CG-CE2 3.48Å; E356-Y360 WeakPolarHBondContact O-CD2 3.22Å; E356-Y360 PolarHBondContact O-N 2.85Å; E356-Y360 VanDerWaalsContact OE1-CE2 3.28Å; E356-Y360 WeakPolarHBondContact OE1-CE2 3.37Å; E356-Y360 PolarHBondContact OE1-OH 3.02Å; A357-Y360 PolarHBondContact O-N 3.02Å; Y360-K362 PolarHBondContact O-N 3.08Å; Y360-Q363 WeakPolarHBondContact O-CB 3.4Å; Y360-Q363 PolarHBondContact O-N 3.38Å; Y360-Q363 VanDerWaalsContact O-N 3.15Å; Y360-T364 WeakPolarHBondContact O-CG2 3.42Å; Y360-T364 PolarHBondContact O-N 3.39Å; Y360-T364 VanDerWaalsContact O-N 3.13Å
361G97.8Very high95.9Very high0 Ų049.7 Ų49.70%024%0.243CC..Hα-helixtrans-55.4-50.4176.400000112.5A357 L358 T359 Q363 T364A357-G361 PolarHBondContact O-N 2.76Å; L358-G361 PolarHBondContact O-N 3.31Å; T359-G361 VanDerWaalsContact C-N 3.33Å; T359-G361 PolarHBondContact O-N 3.03Å; G361-Q363 VanDerWaalsContact C-N 3.32Å; G361-Q363 PolarHBondContact O-N 3.29Å; G361-T364 PolarHBondContact O-N 2.88Å; G361-T364 PolarHBondContact O-OG1 3.44Å
362K97.6Very high95.6Very high85 Ų8546.8 Ų46.837%0.3723%0.228SC..Hα-helixtrans-61.5-37.8176.6-73.9-175.7173.8-168.80112.2L358 T359 Y360 T364 L365 P366 V386 D398L358-K362 HydrophobicContact CD1-CD 4.26Å; L358-K362 HydrophobicContact CD1-CG 4.03Å; L358-K362 HydrophobicContact CG-CD 4.34Å; L358-K362 HydrophobicContact CG-CG 4.47Å; L358-K362 WeakPolarHBondContact O-CG 3.47Å; L358-K362 PolarHBondContact O-N 3.44Å; T359-K362 PolarHBondContact O-N 3.29Å; Y360-K362 PolarHBondContact O-N 3.08Å; K362-T364 VanDerWaalsContact C-N 3.28Å; K362-T364 PolarHBondContact O-N 3.12Å; K362-L365 PolarHBondContact O-N 3.34Å; K362-P366 WeakPolarHBondContact O-CD 3.46Å; K362-V386 HydrophobicContact CG-CG1 4.14Å; K362-D398 IonicContact NZ-OD2 3.96Å; K362-D398 PolarHBondContact NZ-OD2 3.21Å
363Q96.4Very high94.9Very high55 Ų5549.5 Ų49.526%0.25724%0.24SC..Hα-helixtrans-64.2-28.9177-72.2171.4-8.300113.4T341 T359 Y360 G361 P366T341-Q363 HydrophobicContact CG2-CB 4.07Å; T359-Q363 WeakPolarHBondContact O-CG 2.91Å; T359-Q363 PolarHBondContact O-N 3.1Å; T359-Q363 VanDerWaalsContact O-N 3.15Å; Y360-Q363 WeakPolarHBondContact O-CB 3.4Å; Y360-Q363 PolarHBondContact O-N 3.38Å; Y360-Q363 VanDerWaalsContact O-N 3.15Å; G361-Q363 VanDerWaalsContact C-N 3.32Å; G361-Q363 PolarHBondContact O-N 3.29Å; Q363-P366 WeakPolarHBondContact O-CD 3.46Å
364T96.7Very high94.3Very high0 Ų049.1 Ų49.10%024%0.241CC..Hα-helixtrans-74.3-26.9177.866.20000114L338 T341 Y360 G361 K362 A367 Y368 Q382L338-T364 HydrophobicContact CD1-CG2 3.91Å; T341-T364 HydrophobicContact CG2-CG2 3.79Å; Y360-T364 WeakPolarHBondContact O-CG2 3.42Å; Y360-T364 PolarHBondContact O-N 3.39Å; Y360-T364 VanDerWaalsContact O-N 3.13Å; G361-T364 PolarHBondContact O-N 2.88Å; G361-T364 PolarHBondContact O-OG1 3.44Å; K362-T364 VanDerWaalsContact C-N 3.28Å; K362-T364 PolarHBondContact O-N 3.12Å; T364-A367 PolarHBondContact O-N 3.04Å; T364-Y368 VanDerWaalsContact O-CD2 3.27Å; T364-Y368 WeakPolarHBondContact O-CD2 3.39Å; T364-Y368 PolarHBondContact O-N 3.3Å; T364-Q382 PolarHBondContact OG1-NE2 3.48Å
365L94.8Very high94Very high26 Ų2645.4 Ų45.414%0.13623%0.228CC..Hα-helixtrans-60.7-42.9-169-67.4178.7000114.6K362 A367 Y368 R369 Q382 L383 V386K362-L365 PolarHBondContact O-N 3.34Å; L365-A367 VanDerWaalsContact C-N 3.32Å; L365-A367 PolarHBondContact O-N 3.13Å; L365-Y368 PolarHBondContact O-N 2.95Å; L365-R369 WeakPolarHBondContact O-CB 3.33Å; L365-R369 PolarHBondContact O-N 2.99Å; L365-Q382 HydrophobicContact CD2-CG 4.05Å; L365-L383 HydrophobicContact CD1-CD2 4.18Å; L365-L383 HydrophobicContact CD2-CD2 3.77Å; L365-L383 HydrophobicContact CD2-CG 4.13Å; L365-V386 HydrophobicContact CD1-CB 4.41Å; L365-V386 HydrophobicContact CD1-CG1 4.13Å; L365-V386 HydrophobicContact CD1-CG2 4.23Å; L365-V386 HydrophobicContact CD2-CG2 4.09Å; L365-V386 HydrophobicContact CG-CG2 4.18Å
366P91.6Very high93.8Very high56 Ų5641.2 Ų41.236%0.36421%0.208SC..Hα-helixtrans-57.1-45.2177.8-25.935.7000112.5K362 Q363 R369 L370K362-P366 WeakPolarHBondContact O-CD 3.46Å; Q363-P366 WeakPolarHBondContact O-CD 3.46Å; P366-R369 PolarHBondContact O-N 3.26Å; P366-L370 WeakPolarHBondContact O-CB 3.45Å; P366-L370 PolarHBondContact O-N 3.12Å
367A93.1Very high93.6Very high0 Ų038.8 Ų38.80%020%0.198CC..Hα-helixtrans-68.2-42-18000000111.9E333 L338 T364 L365 R369 L370 F371E333-A367 HydrophobicContact CB-CB 4.39Å; E333-A367 HydrophobicContact CG-CB 4.22Å; L338-A367 HydrophobicContact CD1-CB 3.82Å; L338-A367 HydrophobicContact CD2-CB 3.63Å; L338-A367 HydrophobicContact CG-CB 4.24Å; T364-A367 PolarHBondContact O-N 3.04Å; L365-A367 VanDerWaalsContact C-N 3.32Å; L365-A367 PolarHBondContact O-N 3.13Å; A367-R369 PolarHBondContact O-N 3.34Å; A367-L370 PolarHBondContact O-N 3.26Å; A367-F371 HydrophobicContact CB-CD2 4.18Å; A367-F371 HydrophobicContact CB-CE2 4.08Å; A367-F371 WeakPolarHBondContact O-CD2 3.37Å; A367-F371 PolarHBondContact O-N 3.01Å
368Y94.2Very high93.4Very high22 Ų2240.3 Ų40.39%0.08621%0.207CC..Hα-helixtrans-61.3-43.3175.7-88.2-116.2000111.6L338 D342 T364 L365 L370 Y372 V378 Q382L338-Y368 HydrophobicContact CD1-CD2 4.08Å; L338-Y368 HydrophobicContact CD1-CE2 3.96Å; L338-Y368 HydrophobicContact CD2-CD2 4.37Å; L338-Y368 HydrophobicContact CD2-CE2 4.35Å; L338-Y368 HydrophobicContact CG-CE2 4.41Å; D342-Y368 PolarHBondContact OD1-OH 3.26Å; T364-Y368 VanDerWaalsContact O-CD2 3.27Å; T364-Y368 WeakPolarHBondContact O-CD2 3.39Å; T364-Y368 PolarHBondContact O-N 3.3Å; L365-Y368 PolarHBondContact O-N 2.95Å; Y368-L370 VanDerWaalsContact C-N 3.28Å; Y368-L370 PolarHBondContact O-N 3.47Å; Y368-Y372 AromaticContact CD1-CD2 3.91Å; Y368-Y372 HydrophobicContact CD1-CD2 3.91Å; Y368-Y372 HydrophobicContact CD1-CE2 4.01Å; Y368-Y372 HydrophobicContact CE1-CE2 4.2Å; Y368-Y372 HydrophobicContact CG-CD2 4.21Å; Y368-Y372 HydrophobicContact CG-CE2 4.39Å; Y368-Y372 WeakPolarHBondContact O-CA 3.35Å; Y368-Y372 VanDerWaalsContact O-CB 3.31Å; Y368-Y372 WeakPolarHBondContact O-CB 3.32Å; Y368-Y372 PolarHBondContact O-N 2.77Å; Y368-V378 HydrophobicContact CD1-CG1 3.93Å; Y368-V378 HydrophobicContact CE1-CG1 3.48Å; Y368-V378 VanDerWaalsContact CE1-CG1 3.48Å; Y368-Q382 HydrophobicContact CD1-CB 3.58Å; Y368-Q382 HydrophobicContact CD1-CG 3.81Å; Y368-Q382 HydrophobicContact CD2-CG 4.35Å; Y368-Q382 HydrophobicContact CE1-CB 3.64Å; Y368-Q382 HydrophobicContact CE1-CG 3.79Å; Y368-Q382 HydrophobicContact CE2-CG 4.33Å; Y368-Q382 HydrophobicContact CG-CB 4.28Å; Y368-Q382 HydrophobicContact CG-CG 4.09Å
369R91.9Very high93.2Very high128 Ų12839.9 Ų39.948%0.48320%0.204SC..Hα-helixtrans-62.7-35.6176.4-174.4179.9-72.6164.6-7.1112.2L365 P366 A367 E405L365-R369 WeakPolarHBondContact O-CB 3.33Å; L365-R369 PolarHBondContact O-N 2.99Å; P366-R369 PolarHBondContact O-N 3.26Å; A367-R369 PolarHBondContact O-N 3.34Å; R369-E405 IonicContact CZ-OE2 3.92Å; R369-E405 IonicContact NH2-OE1 2.66Å; R369-E405 IonicContact NH2-OE2 2.67Å; R369-E405 PolarHBondContact NH2-OE2 3.28Å
370L90.4Very high93.2Very high101 Ų10136.3 Ų36.353%0.52918%0.183SC..Hα-helixtrans-74-47.4179.8-178.161.8000112.6E333 P366 A367 Y368E333-L370 HydrophobicContact CB-CD2 4.32Å; E333-L370 HydrophobicContact CG-CD2 4.03Å; P366-L370 WeakPolarHBondContact O-CB 3.45Å; P366-L370 PolarHBondContact O-N 3.12Å; A367-L370 PolarHBondContact O-N 3.26Å; Y368-L370 VanDerWaalsContact C-N 3.28Å; Y368-L370 PolarHBondContact O-N 3.47Å
371F89.6Confident93Very high19 Ų1935.8 Ų35.88%0.08318%0.182CC..Hα-helixtrans-91-20.9-171.8-58.8-54.6000114.2L253 I285 E333 A367 P373L253-F371 HydrophobicContact CD1-CB 3.71Å; L253-F371 HydrophobicContact CD1-CD1 4.37Å; L253-F371 HydrophobicContact CD1-CD2 3.39Å; L253-F371 HydrophobicContact CD1-CE2 4.09Å; L253-F371 HydrophobicContact CD1-CG 3.57Å; I285-F371 HydrophobicContact CD1-CE1 4.47Å; I285-F371 HydrophobicContact CG1-CD1 4.03Å; I285-F371 HydrophobicContact CG1-CE1 3.48Å; I285-F371 VanDerWaalsContact CG1-CE1 3.48Å; I285-F371 HydrophobicContact CG1-CZ 3.94Å; E333-F371 HydrophobicContact CB-CE2 4.2Å; E333-F371 HydrophobicContact CB-CZ 4.22Å; E333-F371 WeakPolarHBondContact O-CE2 3.43Å; E333-F371 WeakPolarHBondContact O-CZ 3.42Å; A367-F371 HydrophobicContact CB-CD2 4.18Å; A367-F371 HydrophobicContact CB-CE2 4.08Å; A367-F371 WeakPolarHBondContact O-CD2 3.37Å; A367-F371 PolarHBondContact O-N 3.01Å; F371-P373 VanDerWaalsContact C-CD 3.42Å; F371-P373 VanDerWaalsContact O-CD 3.27Å; F371-P373 WeakPolarHBondContact O-CD 3.49Å
372Y90.7Very high92.9Very high5 Ų536 Ų362%0.0218%0.183CC..SBendtrans-116.671.8174-59.2-70.3000110.6E251 T252 L253 Y368 D374 H376 V378E251-Y372 WeakPolarHBondContact OE1-CE1 3.39Å; E251-Y372 PolarHBondContact OE1-OH 3.32Å; E251-Y372 PolarHBondContact OE2-OH 3.02Å; T252-Y372 WeakPolarHBondContact OG1-CE1 3.36Å; L253-Y372 HydrophobicContact CB-CE1 4.32Å; L253-Y372 HydrophobicContact CB-CE2 4.18Å; L253-Y372 WeakPolarHBondContact CB-OH 3.43Å; L253-Y372 HydrophobicContact CD2-CE2 3.82Å; Y368-Y372 AromaticContact CD1-CD2 3.91Å; Y368-Y372 HydrophobicContact CD1-CD2 3.91Å; Y368-Y372 HydrophobicContact CD1-CE2 4.01Å; Y368-Y372 HydrophobicContact CE1-CE2 4.2Å; Y368-Y372 HydrophobicContact CG-CD2 4.21Å; Y368-Y372 HydrophobicContact CG-CE2 4.39Å; Y368-Y372 WeakPolarHBondContact O-CA 3.35Å; Y368-Y372 VanDerWaalsContact O-CB 3.31Å; Y368-Y372 WeakPolarHBondContact O-CB 3.32Å; Y368-Y372 PolarHBondContact O-N 2.77Å; Y372-D374 PolarHBondContact O-N 3.47Å; Y372-H376 AromaticContact CD1-CE1 3.28Å; Y372-H376 WeakPolarHBondContact CD1-CE1 2.95Å; Y372-H376 AromaticContact CD1-CG 3.87Å; Y372-H376 AromaticContact CD1-ND1 3.41Å; Y372-H376 WeakPolarHBondContact CD1-ND1 3.26Å; Y372-H376 AromaticContact CD1-NE2 3.69Å; Y372-H376 AromaticContact CE1-CE1 3.7Å; Y372-H376 AromaticContact CG-ND1 3.75Å; Y372-V378 HydrophobicContact CD2-CG1 4.12Å; Y372-V378 HydrophobicContact CE1-CB 4.43Å; Y372-V378 HydrophobicContact CE1-CG1 4.4Å; Y372-V378 HydrophobicContact CE2-CB 4.46Å; Y372-V378 HydrophobicContact CE2-CG1 3.75Å
373P83.9Confident92.9Very high87 Ų8732 Ų3257%0.56517%0.165SC*.PPolyproline II helixtrans-60.9138.3-174.825-34.3000111.6F371F371-P373 VanDerWaalsContact C-CD 3.42Å; F371-P373 VanDerWaalsContact O-CD 3.27Å; F371-P373 WeakPolarHBondContact O-CD 3.49Å
374D84Confident92.9Very high71 Ų7129.6 Ų29.638%0.3815%0.154SC..SBendtrans-66.7140.1-170.9-74.7-33.9000113.9R31 Y372 H379 I409R31-D374 VanDerWaalsContact NH2-C 3.26Å; R31-D374 PolarHBondContact NH2-O 3.45Å; Y372-D374 PolarHBondContact O-N 3.47Å; D374-H379 IonicContact OD1-CE1 2.75Å; D374-H379 IonicContact OD1-CG 3.48Å; D374-H379 IonicContact OD1-ND1 3.51Å; D374-H379 PolarHBondContact OD1-ND1 3.21Å; D374-H379 IonicContact OD2-CE1 2.57Å; D374-H379 PolarHBondContact OD2-CE1 2.79Å; D374-H379 IonicContact OD2-ND1 3.68Å; D374-H379 PolarHBondContact OD2-ND1 3.3Å; D374-I409 HydrophobicContact CB-CG1 4.45Å; D374-I409 WeakPolarHBondContact OD1-CD1 3.41Å; D374-I409 WeakPolarHBondContact OD1-CG1 3.41Å
375P92.3Very high92.9Very high10 Ų1032.3 Ų32.37%0.06516%0.164CC..SBendcis-97.2120.29.132.5-16.2000111V236 I409 M412 T413V236-P375 HydrophobicContact CB-CG 3.93Å; V236-P375 HydrophobicContact CG1-CG 4.06Å; V236-P375 WeakPolarHBondContact CG1-O 3.44Å; V236-P375 WeakPolarHBondContact O-CD 3.49Å; P375-I409 HydrophobicContact CB-CG2 4.42Å; P375-M412 HydrophobicContact CB-CB 3.93Å; P375-M412 HydrophobicContact CG-CB 4.24Å; P375-T413 HydrophobicContact CB-CG2 3.93Å
376H93.8Very high93Very high36 Ų3631.1 Ų31.117%0.16716%0.158CC..  trans-125.1130.4175.9-165-85.4000111.4Y372 V378 H379 G380 I409Y372-H376 AromaticContact CD1-CE1 3.28Å; Y372-H376 WeakPolarHBondContact CD1-CE1 2.95Å; Y372-H376 AromaticContact CD1-CG 3.87Å; Y372-H376 AromaticContact CD1-ND1 3.41Å; Y372-H376 WeakPolarHBondContact CD1-ND1 3.26Å; Y372-H376 AromaticContact CD1-NE2 3.69Å; Y372-H376 AromaticContact CE1-CE1 3.7Å; Y372-H376 AromaticContact CG-ND1 3.75Å; H376-V378 VanDerWaalsContact C-N 3.3Å; H376-V378 VanDerWaalsContact CE1-CG2 3.5Å; H376-V378 WeakPolarHBondContact CE1-CG2 3.41Å; H376-V378 WeakPolarHBondContact ND1-CB 3.48Å; H376-V378 PolarHBondContact ND1-N 3.31Å; H376-V378 PolarHBondContact O-N 2.84Å; H376-H379 PolarHBondContact O-N 2.68Å; H376-H379 VanDerWaalsContact O-N 3.15Å; H376-G380 PolarHBondContact O-N 3.18Å; H376-G380 VanDerWaalsContact O-N 3.17Å; H376-I409 VanDerWaalsContact O-CG2 3.3Å; H376-I409 WeakPolarHBondContact O-CG2 3.22Å
377P94.2Very high93.4Very high9 Ų928.4 Ų28.46%0.05814%0.141CC..Hα-helixtrans-61.9-36.8-172.724.1-34.3000112.4L200 V223 H379 G380 V381 T413L200-P377 HydrophobicContact CD1-CB 4.12Å; V223-P377 HydrophobicContact CB-CG 4.31Å; V223-P377 HydrophobicContact CG1-CG 4.32Å; P377-H379 VanDerWaalsContact C-N 3.34Å; P377-H379 PolarHBondContact O-N 3.37Å; P377-G380 PolarHBondContact O-N 2.79Å; P377-V381 WeakPolarHBondContact O-CG2 3.48Å; P377-V381 PolarHBondContact O-N 3.48Å; P377-T413 HydrophobicContact CB-CG2 4.45Å
378V93.9Very high93.6Very high31 Ų3131.7 Ų31.719%0.18816%0.155CC..Hα-helixtrans-61.1-40.3177.6175.90000112.1L200 Y368 Y372 H376 Q382L200-V378 HydrophobicContact CD1-CB 4.31Å; L200-V378 HydrophobicContact CD1-CG2 3.74Å; Y368-V378 HydrophobicContact CD1-CG1 3.93Å; Y368-V378 HydrophobicContact CE1-CG1 3.48Å; Y368-V378 VanDerWaalsContact CE1-CG1 3.48Å; Y372-V378 HydrophobicContact CD2-CG1 4.12Å; Y372-V378 HydrophobicContact CE1-CB 4.43Å; Y372-V378 HydrophobicContact CE1-CG1 4.4Å; Y372-V378 HydrophobicContact CE2-CB 4.46Å; Y372-V378 HydrophobicContact CE2-CG1 3.75Å; H376-V378 VanDerWaalsContact C-N 3.3Å; H376-V378 VanDerWaalsContact CE1-CG2 3.5Å; H376-V378 WeakPolarHBondContact CE1-CG2 3.41Å; H376-V378 WeakPolarHBondContact ND1-CB 3.48Å; H376-V378 PolarHBondContact ND1-N 3.31Å; H376-V378 PolarHBondContact O-N 2.84Å; V378-Q382 WeakPolarHBondContact O-CB 3.47Å; V378-Q382 PolarHBondContact O-N 2.79Å
379H95.4Very high93.7Very high1 Ų131.4 Ų31.41%0.00516%0.155CC..Hα-helixtrans-67.5-43.8175.8179.8-145.4000111.5D374 H376 P377 V381 Q382 L383 I409D374-H379 IonicContact OD1-CE1 2.75Å; D374-H379 IonicContact OD1-CG 3.48Å; D374-H379 IonicContact OD1-ND1 3.51Å; D374-H379 PolarHBondContact OD1-ND1 3.21Å; D374-H379 IonicContact OD2-CE1 2.57Å; D374-H379 PolarHBondContact OD2-CE1 2.79Å; D374-H379 IonicContact OD2-ND1 3.68Å; D374-H379 PolarHBondContact OD2-ND1 3.3Å; H376-H379 PolarHBondContact O-N 2.68Å; H376-H379 VanDerWaalsContact O-N 3.15Å; P377-H379 VanDerWaalsContact C-N 3.34Å; P377-H379 PolarHBondContact O-N 3.37Å; H379-V381 VanDerWaalsContact C-N 3.35Å; H379-V381 PolarHBondContact O-N 2.78Å; H379-Q382 PolarHBondContact O-N 3.27Å; H379-L383 PolarHBondContact O-N 2.86Å; H379-I409 WeakPolarHBondContact ND1-CD1 3.5Å
380G96Very high94.1Very high0 Ų025.6 Ų25.60%013%0.133CC..Hα-helixtrans-59.9-41.7176.100000113.2H376 P377 M384H376-G380 PolarHBondContact O-N 3.18Å; H376-G380 VanDerWaalsContact O-N 3.17Å; P377-G380 PolarHBondContact O-N 2.79Å; G380-M384 WeakPolarHBondContact O-CB 3.35Å; G380-M384 PolarHBondContact O-N 3.26Å
381V94.8Very high94.4Very high10 Ų1021.9 Ų21.96%0.06111%0.113CC..Hα-helixtrans-67.8-39.5175.9170.60000111.5E199 L200 P377 H379 M384 R385 L420E199-V381 HydrophobicContact CB-CG1 4.46Å; L200-V381 HydrophobicContact CD1-CB 4.19Å; L200-V381 HydrophobicContact CD1-CG2 3.81Å; L200-V381 HydrophobicContact CG-CG2 3.96Å; P377-V381 WeakPolarHBondContact O-CG2 3.48Å; P377-V381 PolarHBondContact O-N 3.48Å; H379-V381 VanDerWaalsContact C-N 3.35Å; H379-V381 PolarHBondContact O-N 2.78Å; V381-M384 WeakPolarHBondContact O-CB 3.4Å; V381-M384 PolarHBondContact O-N 3.27Å; V381-R385 WeakPolarHBondContact O-CG 3.38Å; V381-R385 PolarHBondContact O-N 3.34Å; V381-L420 HydrophobicContact CG2-CD2 4.17Å
382Q96.4Very high94.8Very high4 Ų426.1 Ų26.12%0.01913%0.133CC..Hα-helixtrans-65.3-42.3177.3-170.663.51.400112.4T364 L365 Y368 V378 H379 M384 R385 V386T364-Q382 PolarHBondContact OG1-NE2 3.48Å; L365-Q382 HydrophobicContact CD2-CG 4.05Å; Y368-Q382 HydrophobicContact CD1-CB 3.58Å; Y368-Q382 HydrophobicContact CD1-CG 3.81Å; Y368-Q382 HydrophobicContact CD2-CG 4.35Å; Y368-Q382 HydrophobicContact CE1-CB 3.64Å; Y368-Q382 HydrophobicContact CE1-CG 3.79Å; Y368-Q382 HydrophobicContact CE2-CG 4.33Å; Y368-Q382 HydrophobicContact CG-CB 4.28Å; Y368-Q382 HydrophobicContact CG-CG 4.09Å; V378-Q382 WeakPolarHBondContact O-CB 3.47Å; V378-Q382 PolarHBondContact O-N 2.79Å; H379-Q382 PolarHBondContact O-N 3.27Å; Q382-M384 VanDerWaalsContact C-N 3.3Å; Q382-M384 PolarHBondContact O-N 2.9Å; Q382-R385 WeakPolarHBondContact O-CB 3.3Å; Q382-R385 PolarHBondContact O-N 3.14Å; Q382-R385 VanDerWaalsContact OE1-NH1 3.1Å; Q382-V386 PolarHBondContact O-N 3Å
383L97.7Very high95.1Very high2 Ų227.3 Ų27.31%0.0114%0.14CC..Hα-helixtrans-58.6-43.9170.9-74.2163.6000111L365 H379 R385 V386 G387 T402 E405 A406 I409L365-L383 HydrophobicContact CD1-CD2 4.18Å; L365-L383 HydrophobicContact CD2-CD2 3.77Å; L365-L383 HydrophobicContact CD2-CG 4.13Å; H379-L383 PolarHBondContact O-N 2.86Å; L383-R385 VanDerWaalsContact C-N 3.33Å; L383-R385 PolarHBondContact O-N 3.16Å; L383-V386 PolarHBondContact O-N 3.01Å; L383-G387 PolarHBondContact O-N 2.78Å; L383-T402 HydrophobicContact CB-CG2 4.21Å; L383-T402 HydrophobicContact CD2-CG2 3.95Å; L383-T402 WeakPolarHBondContact O-CG2 3.39Å; L383-E405 HydrophobicContact CD1-CB 3.94Å; L383-E405 HydrophobicContact CD2-CB 4.41Å; L383-A406 HydrophobicContact CB-CB 3.76Å; L383-I409 HydrophobicContact CD1-CD1 3.55Å
384M96.3Very high95.7Very high4 Ų430 Ų302%0.0214%0.144CC..Hα-helixtrans-60.7-40.2176.2-178.3172.4-172.700112.6G380 V381 Q382 G387 K388 A406 M410 L420 D423 L424G380-M384 WeakPolarHBondContact O-CB 3.35Å; G380-M384 PolarHBondContact O-N 3.26Å; V381-M384 WeakPolarHBondContact O-CB 3.4Å; V381-M384 PolarHBondContact O-N 3.27Å; Q382-M384 VanDerWaalsContact C-N 3.3Å; Q382-M384 PolarHBondContact O-N 2.9Å; M384-G387 PolarHBondContact O-N 3.49Å; M384-K388 VanDerWaalsContact CE-CE 3.44Å; M384-K388 VanDerWaalsContact O-CG 3.31Å; M384-K388 WeakPolarHBondContact O-CG 3.43Å; M384-K388 PolarHBondContact O-N 3.48Å; M384-A406 HydrophobicContact CB-CB 4.37Å; M384-M410 HydrophobicContact SD-SD 4.19Å; M384-L420 HydrophobicContact CE-CD1 3.35Å; M384-L420 HydrophobicContact CE-CG 3.98Å; M384-L420 HydrophobicContact SD-CD1 3.5Å; M384-L420 VanDerWaalsContact SD-CD1 3.5Å; M384-L420 HydrophobicContact SD-CD2 3.85Å; M384-L420 HydrophobicContact SD-CG 3.59Å; M384-L420 VanDerWaalsContact SD-CG 3.59Å; M384-D423 HydrophobicContact CE-CB 4.2Å; M384-L424 HydrophobicContact CB-CD2 4.16Å; M384-L424 HydrophobicContact CE-CD2 4.23Å; M384-L424 HydrophobicContact CE-CG 4.13Å; M384-L424 HydrophobicContact CG-CD2 3.76Å; M384-L424 HydrophobicContact CG-CG 4.33Å; M384-L424 HydrophobicContact SD-CD1 4.34Å; M384-L424 HydrophobicContact SD-CD2 3.97Å; M384-L424 HydrophobicContact SD-CG 3.87Å
385R95.8Very high96.3Very high56 Ų5631 Ų3121%0.21115%0.146CC..Hα-helixtrans-61.9-47.1175.3-70.8174.668.7-167.89.8111.4D342 D346 V381 Q382 L383 K388 L389D342-R385 IonicContact OD1-NH1 3.35Å; D346-R385 IonicContact OD1-CZ 3.43Å; D346-R385 IonicContact OD1-NH1 2.69Å; D346-R385 IonicContact OD1-NH2 3.21Å; D346-R385 PolarHBondContact OD1-NH2 3.4Å; V381-R385 WeakPolarHBondContact O-CG 3.38Å; V381-R385 PolarHBondContact O-N 3.34Å; Q382-R385 WeakPolarHBondContact O-CB 3.3Å; Q382-R385 PolarHBondContact O-N 3.14Å; Q382-R385 VanDerWaalsContact OE1-NH1 3.1Å; L383-R385 VanDerWaalsContact C-N 3.33Å; L383-R385 PolarHBondContact O-N 3.16Å; R385-K388 PolarHBondContact O-N 3.42Å; R385-L389 PolarHBondContact O-N 2.97Å; R385-L389 VanDerWaalsContact O-N 3.16Å
386V98.1Very high96.6Very high1 Ų130.8 Ų30.81%0.00615%0.145CC..Hα-helixtrans-63.9-44177.2175.10000111.4L358 K362 L365 Q382 L383 K388 L389 Q390 T402L358-V386 HydrophobicContact CD1-CG1 3.96Å; K362-V386 HydrophobicContact CG-CG1 4.14Å; L365-V386 HydrophobicContact CD1-CB 4.41Å; L365-V386 HydrophobicContact CD1-CG1 4.13Å; L365-V386 HydrophobicContact CD1-CG2 4.23Å; L365-V386 HydrophobicContact CD2-CG2 4.09Å; L365-V386 HydrophobicContact CG-CG2 4.18Å; Q382-V386 PolarHBondContact O-N 3Å; L383-V386 PolarHBondContact O-N 3.01Å; V386-K388 VanDerWaalsContact C-N 3.32Å; V386-K388 PolarHBondContact O-N 3.05Å; V386-L389 WeakPolarHBondContact O-CB 3.41Å; V386-L389 PolarHBondContact O-N 3.41Å; V386-L389 VanDerWaalsContact O-N 3.1Å; V386-Q390 HydrophobicContact CG1-CG 4.41Å; V386-Q390 WeakPolarHBondContact O-CG 3.31Å; V386-Q390 PolarHBondContact O-N 2.63Å; V386-T402 HydrophobicContact CB-CG2 4.37Å; V386-T402 HydrophobicContact CG1-CG2 4.38Å
387G98.1Very high96.8Very high0 Ų035.5 Ų35.50%017%0.167CC..Hα-helixtrans-60-40.3176.600000112.5L383 M384 L389 Q390 H391 F403L383-G387 PolarHBondContact O-N 2.78Å; M384-G387 PolarHBondContact O-N 3.49Å; G387-L389 VanDerWaalsContact C-N 3.34Å; G387-L389 PolarHBondContact O-N 3.33Å; G387-Q390 PolarHBondContact O-N 2.94Å; G387-H391 WeakPolarHBondContact O-CB 3.35Å; G387-H391 PolarHBondContact O-N 2.96Å; G387-F403 VanDerWaalsContact O-CZ 3.27Å; G387-F403 WeakPolarHBondContact O-CZ 3.31Å
388K97.2Very high96.9Very high69 Ų6938.4 Ų38.430%0.318%0.182SC..Hα-helixtrans-61.6-40.8173.9-75.5176.3-178.3-175.90111.8E199 M384 R385 V386 H392 F403E199-K388 IonicContact OE1-NZ 2.82Å; E199-K388 PolarHBondContact OE1-NZ 3.19Å; M384-K388 VanDerWaalsContact CE-CE 3.44Å; M384-K388 VanDerWaalsContact O-CG 3.31Å; M384-K388 WeakPolarHBondContact O-CG 3.43Å; M384-K388 PolarHBondContact O-N 3.48Å; R385-K388 PolarHBondContact O-N 3.42Å; V386-K388 VanDerWaalsContact C-N 3.32Å; V386-K388 PolarHBondContact O-N 3.05Å; K388-H392 VanDerWaalsContact O-CB 3.31Å; K388-H392 WeakPolarHBondContact O-CB 3.49Å; K388-H392 PolarHBondContact O-N 3.34Å; K388-F403 HydrophobicContact CG-CE1 4.23Å; K388-F403 HydrophobicContact CG-CZ 4.3Å
389L98.3Very high97.1Very high16 Ų1636.9 Ų36.98%0.08417%0.173CC..Hα-helixtrans-67.1-42.7176.4-70.2167.4000112L345 V349 W354 A357 L358 R385 V386 G387 H392 L393L345-L389 HydrophobicContact CD1-CD1 3.9Å; V349-L389 HydrophobicContact CG2-CD2 4.32Å; W354-L389 HydrophobicContact CE3-CD2 4.02Å; A357-L389 HydrophobicContact CB-CD1 4.12Å; A357-L389 HydrophobicContact CB-CD2 4.04Å; L358-L389 HydrophobicContact CB-CB 4.27Å; L358-L389 HydrophobicContact CD1-CB 4Å; R385-L389 PolarHBondContact O-N 2.97Å; R385-L389 VanDerWaalsContact O-N 3.16Å; V386-L389 WeakPolarHBondContact O-CB 3.41Å; V386-L389 PolarHBondContact O-N 3.41Å; V386-L389 VanDerWaalsContact O-N 3.1Å; G387-L389 VanDerWaalsContact C-N 3.34Å; G387-L389 PolarHBondContact O-N 3.33Å; L389-H392 PolarHBondContact O-N 3.49Å; L389-L393 WeakPolarHBondContact O-CB 3.35Å; L389-L393 WeakPolarHBondContact O-CG 3.45Å; L389-L393 PolarHBondContact O-N 3.35Å
390Q98.4Very high97.3Very high6 Ų637.6 Ų37.63%0.02818%0.177CC..Hα-helixtrans-61.7-45.1174.7-71167.4-47.900111.5L358 V386 G387 L393 E394 H395 D398 A399 T402L358-Q390 HydrophobicContact CD1-CG 3.58Å; L358-Q390 HydrophobicContact CD2-CG 4.12Å; V386-Q390 HydrophobicContact CG1-CG 4.41Å; V386-Q390 WeakPolarHBondContact O-CG 3.31Å; V386-Q390 PolarHBondContact O-N 2.63Å; G387-Q390 PolarHBondContact O-N 2.94Å; Q390-L393 CarbonylContact O-C 3.51Å; Q390-L393 PolarHBondContact O-N 3.43Å; Q390-E394 PolarHBondContact O-N 3.36Å; Q390-H395 HydrophobicContact CB-CB 4.18Å; Q390-H395 WeakPolarHBondContact O-CB 3.47Å; Q390-H395 PolarHBondContact O-N 3.06Å; Q390-D398 HydrophobicContact CG-CB 4.32Å; Q390-D398 PolarHBondContact NE2-OD2 3.2Å; Q390-D398 PolarHBondContact OE1-O 2.79Å; Q390-A399 HydrophobicContact CB-CB 3.67Å; Q390-T402 VanDerWaalsContact OE1-CB 3.24Å; Q390-T402 PolarHBondContact OE1-OG1 3.44Å
391H98.1Very high97.4Very high23 Ų2341.7 Ų41.711%0.10620%0.199CC..Hα-helixtrans-60.8-46.8177.9-176.5-122.1000111.1G387 L393 E394 A399 F403 E430 C431 E434G387-H391 WeakPolarHBondContact O-CB 3.35Å; G387-H391 PolarHBondContact O-N 2.96Å; H391-L393 VanDerWaalsContact C-N 3.26Å; H391-L393 PolarHBondContact O-N 2.98Å; H391-E394 PolarHBondContact O-N 3.11Å; H391-A399 HydrophobicContact CB-CB 3.94Å; H391-F403 HydrophobicContact CB-CE2 4.03Å; H391-F403 HydrophobicContact CB-CZ 4.2Å; H391-E430 IonicContact CE1-OE2 3.59Å; H391-C431 PolarHBondContact CD2-SG 3.47Å; H391-E434 IonicContact CD2-OE2 3.42Å; H391-E434 IonicContact CE1-OE1 3.43Å; H391-E434 IonicContact CE1-OE2 3.62Å; H391-E434 IonicContact NE2-OE1 3.06Å; H391-E434 PolarHBondContact NE2-OE1 2.76Å; H391-E434 IonicContact NE2-OE2 3.55Å; H391-E434 PolarHBondContact NE2-OE2 3.03Å
392H97.1Very high97.5Very high107 Ų10741.9 Ų41.950%0.49520%0.2SC..Hα-helixtrans-61.5-32.3177.6-176.382.3000113.5W354 K388 L389 E394W354-H392 AromaticContact CD1-CD2 3.76Å; W354-H392 AromaticContact CD1-NE2 3.35Å; W354-H392 VanDerWaalsContact CD1-NE2 3.35Å; W354-H392 AromaticContact CD2-CD2 3.91Å; W354-H392 AromaticContact CD2-NE2 3.8Å; W354-H392 AromaticContact CE2-NE2 3.62Å; W354-H392 AromaticContact CG-CD2 3.62Å; W354-H392 AromaticContact CG-NE2 3.64Å; W354-H392 AromaticContact NE1-NE2 3.32Å; W354-H392 PolarHBondContact NE1-NE2 2.85Å; K388-H392 VanDerWaalsContact O-CB 3.31Å; K388-H392 WeakPolarHBondContact O-CB 3.49Å; K388-H392 PolarHBondContact O-N 3.34Å; L389-H392 PolarHBondContact O-N 3.49Å; H392-E394 VanDerWaalsContact C-N 3.28Å
393L97.5Very high97.6Very high31 Ų3141.7 Ų41.716%0.16220%0.199CC..THydrogen-bonded Turntrans-88.813.1175.5-69.8170.4000113.4W354 E355 L358 L389 Q390 H391 H395W354-L393 HydrophobicContact CB-CD1 4.37Å; W354-L393 HydrophobicContact CB-CD2 3.86Å; W354-L393 HydrophobicContact CB-CG 4.21Å; E355-L393 HydrophobicContact CG-CD1 4.4Å; E355-L393 HydrophobicContact CG-CD2 4Å; L358-L393 HydrophobicContact CB-CD1 3.87Å; L358-L393 HydrophobicContact CD2-CD1 3.63Å; L358-L393 HydrophobicContact CG-CD1 4.37Å; L389-L393 WeakPolarHBondContact O-CB 3.35Å; L389-L393 WeakPolarHBondContact O-CG 3.45Å; L389-L393 PolarHBondContact O-N 3.35Å; Q390-L393 CarbonylContact O-C 3.51Å; Q390-L393 PolarHBondContact O-N 3.43Å; H391-L393 VanDerWaalsContact C-N 3.26Å; H391-L393 PolarHBondContact O-N 2.98Å; L393-H395 PolarHBondContact O-CD2 3.15Å; L393-H395 PolarHBondContact O-N 3.03Å; L393-H395 VanDerWaalsContact O-N 3.12Å
394E96.5Very high97.7Very high143 Ų14345.4 Ų45.467%0.66822%0.215SC*.THydrogen-bonded Turntrans59.919.5179.8-54.1-174.8172.500114.7Q390 H391 H392 L396Q390-E394 PolarHBondContact O-N 3.36Å; H391-E394 PolarHBondContact O-N 3.11Å; H392-E394 VanDerWaalsContact C-N 3.28Å; E394-L396 PolarHBondContact O-N 3.22Å
395H97.3Very high97.7Very high91 Ų9149 Ų4942%0.42123%0.231SC..  trans-80.765170.8-59.5164.7000109.9Q390 L393 E397 D398 A399Q390-H395 HydrophobicContact CB-CB 4.18Å; Q390-H395 WeakPolarHBondContact O-CB 3.47Å; Q390-H395 PolarHBondContact O-N 3.06Å; L393-H395 PolarHBondContact O-CD2 3.15Å; L393-H395 PolarHBondContact O-N 3.03Å; L393-H395 VanDerWaalsContact O-N 3.12Å; H395-E397 PolarHBondContact O-N 3.49Å; H395-D398 HydrophobicContact CB-CB 3.95Å; H395-D398 WeakPolarHBondContact O-CB 3.39Å; H395-D398 PolarHBondContact O-N 2.97Å; H395-A399 WeakPolarHBondContact O-CB 3.23Å; H395-A399 PolarHBondContact O-N 3.43Å
396L97.5Very high97.8Very high7 Ų746.3 Ų46.34%0.03722%0.221CC..Hα-helixtrans-64.5-40.3-164.5-58.3-178000114.7E394 A399 L400 E434 M435E394-L396 PolarHBondContact O-N 3.22Å; L396-A399 PolarHBondContact O-N 3.37Å; L396-L400 VanDerWaalsContact O-CB 3.27Å; L396-L400 WeakPolarHBondContact O-CB 3.37Å; L396-L400 PolarHBondContact O-N 2.96Å; L396-E434 HydrophobicContact CD1-CB 3.67Å; L396-E434 HydrophobicContact CD2-CB 4.46Å; L396-E434 WeakPolarHBondContact CD2-OE2 3.47Å; L396-M435 HydrophobicContact CB-CG 3.53Å; L396-M435 HydrophobicContact CB-SD 4.04Å; L396-M435 HydrophobicContact CD1-CB 4.47Å; L396-M435 HydrophobicContact CD1-CG 3.67Å; L396-M435 HydrophobicContact CG-CG 4.26Å
397E97.2Very high97.8Very high135 Ų13548 Ų4863%0.63123%0.229SC*.Hα-helixtrans-63.2-51177.7-70.6-179.4-179.800111H395 A399 L400 D401 M435H395-E397 PolarHBondContact O-N 3.49Å; E397-A399 VanDerWaalsContact C-N 3.32Å; E397-A399 PolarHBondContact O-N 3.35Å; E397-L400 PolarHBondContact O-N 3.25Å; E397-D401 PolarHBondContact O-N 2.92Å; E397-M435 HydrophobicContact CG-CE 3.53Å; E397-M435 HydrophobicContact CG-SD 4.3Å
398D97.8Very high97.7Very high69 Ų6953.3 Ų53.337%0.36926%0.256SS..Hα-helixtrans-52.9-46.7173.4-107.434.4000112K362 Q390 H395 T402K362-D398 IonicContact NZ-OD2 3.96Å; K362-D398 PolarHBondContact NZ-OD2 3.21Å; Q390-D398 HydrophobicContact CG-CB 4.32Å; Q390-D398 PolarHBondContact NE2-OD2 3.2Å; Q390-D398 PolarHBondContact OE1-O 2.79Å; H395-D398 HydrophobicContact CB-CB 3.95Å; H395-D398 WeakPolarHBondContact O-CB 3.39Å; H395-D398 PolarHBondContact O-N 2.97Å; D398-T402 WeakPolarHBondContact O-CB 3.15Å; D398-T402 PolarHBondContact O-N 3.38Å; D398-T402 VanDerWaalsContact O-N 3.08Å; D398-T402 PolarHBondContact O-OG1 3.37Å
399A98.3Very high97.6Very high0 Ų050.3 Ų50.30%024%0.243CC..Hα-helixtrans-65.9-46.5179.300000111.5Q390 H391 H395 L396 E397 D401 T402 F403Q390-A399 HydrophobicContact CB-CB 3.67Å; H391-A399 HydrophobicContact CB-CB 3.94Å; H395-A399 WeakPolarHBondContact O-CB 3.23Å; H395-A399 PolarHBondContact O-N 3.43Å; L396-A399 PolarHBondContact O-N 3.37Å; E397-A399 VanDerWaalsContact C-N 3.32Å; E397-A399 PolarHBondContact O-N 3.35Å; A399-D401 VanDerWaalsContact C-N 3.35Å; A399-D401 PolarHBondContact O-N 3.45Å; A399-T402 PolarHBondContact O-N 2.97Å; A399-F403 HydrophobicContact CB-CD2 4.41Å; A399-F403 HydrophobicContact CB-CE2 4.16Å; A399-F403 WeakPolarHBondContact O-CB 3.24Å; A399-F403 WeakPolarHBondContact O-CD2 3.47Å; A399-F403 VanDerWaalsContact O-CG 3.25Å; A399-F403 WeakPolarHBondContact O-CG 3.38Å; A399-F403 PolarHBondContact O-N 2.83Å
400L98.4Very high97.5Very high16 Ų1649.6 Ų49.68%0.08424%0.239CC..Hα-helixtrans-61.6-43.1-179.7177.259.8000111.4L396 E397 F403 K404 M428 C431 R432 M435L396-L400 VanDerWaalsContact O-CB 3.27Å; L396-L400 WeakPolarHBondContact O-CB 3.37Å; L396-L400 PolarHBondContact O-N 2.96Å; E397-L400 PolarHBondContact O-N 3.25Å; L400-F403 PolarHBondContact O-N 2.86Å; L400-K404 VanDerWaalsContact O-CG 3.29Å; L400-K404 WeakPolarHBondContact O-CG 3.44Å; L400-K404 PolarHBondContact O-N 3.41Å; L400-M428 HydrophobicContact CD1-CB 3.92Å; L400-M428 HydrophobicContact CD1-CG 4.06Å; L400-C431 HydrophobicContact CB-CB 4.13Å; L400-C431 HydrophobicContact CD1-CB 4.36Å; L400-R432 HydrophobicContact CD1-CG 4.46Å; L400-R432 HydrophobicContact CD2-CG 4.2Å; L400-M435 HydrophobicContact CD2-SD 4.19Å
401D98.1Very high97.3Very high86 Ų8655.2 Ų55.246%0.4626%0.26SS..Hα-helixtrans-67.3-43.3178-75.6-13.8000111.9E397 A399 F403 K404 E405E397-D401 PolarHBondContact O-N 2.92Å; A399-D401 VanDerWaalsContact C-N 3.35Å; A399-D401 PolarHBondContact O-N 3.45Å; D401-F403 VanDerWaalsContact C-N 3.35Å; D401-F403 PolarHBondContact O-N 3.21Å; D401-K404 WeakPolarHBondContact O-CB 3.46Å; D401-K404 PolarHBondContact O-N 3.21Å; D401-K404 IonicContact OD1-NZ 3.99Å; D401-K404 PolarHBondContact OD1-NZ 2.85Å; D401-E405 PolarHBondContact O-N 2.9Å; D401-E405 VanDerWaalsContact O-N 3.11Å
402T98.4Very high97.2Very high13 Ų1356.7 Ų56.78%0.0827%0.268CS..Hα-helixtrans-62.2-41.1174.6-55.50000111.9L383 V386 Q390 D398 A399 K404 E405 A406L383-T402 HydrophobicContact CB-CG2 4.21Å; L383-T402 HydrophobicContact CD2-CG2 3.95Å; L383-T402 WeakPolarHBondContact O-CG2 3.39Å; V386-T402 HydrophobicContact CB-CG2 4.37Å; V386-T402 HydrophobicContact CG1-CG2 4.38Å; Q390-T402 VanDerWaalsContact OE1-CB 3.24Å; Q390-T402 PolarHBondContact OE1-OG1 3.44Å; D398-T402 WeakPolarHBondContact O-CB 3.15Å; D398-T402 PolarHBondContact O-N 3.38Å; D398-T402 VanDerWaalsContact O-N 3.08Å; D398-T402 PolarHBondContact O-OG1 3.37Å; A399-T402 PolarHBondContact O-N 2.97Å; T402-K404 PolarHBondContact O-N 3.25Å; T402-E405 PolarHBondContact O-N 3.2Å; T402-A406 PolarHBondContact O-N 3.03Å
403F98.5Very high97.1Very high0 Ų051.6 Ų51.60%024%0.244CC..Hα-helixtrans-66.5-33.6175.8-71.2-40.6000113G387 K388 H391 A399 L400 D401 A406 F407 L424 K427 M428G387-F403 VanDerWaalsContact O-CZ 3.27Å; G387-F403 WeakPolarHBondContact O-CZ 3.31Å; K388-F403 HydrophobicContact CG-CE1 4.23Å; K388-F403 HydrophobicContact CG-CZ 4.3Å; H391-F403 HydrophobicContact CB-CE2 4.03Å; H391-F403 HydrophobicContact CB-CZ 4.2Å; A399-F403 HydrophobicContact CB-CD2 4.41Å; A399-F403 HydrophobicContact CB-CE2 4.16Å; A399-F403 WeakPolarHBondContact O-CB 3.24Å; A399-F403 WeakPolarHBondContact O-CD2 3.47Å; A399-F403 VanDerWaalsContact O-CG 3.25Å; A399-F403 WeakPolarHBondContact O-CG 3.38Å; A399-F403 PolarHBondContact O-N 2.83Å; L400-F403 PolarHBondContact O-N 2.86Å; D401-F403 VanDerWaalsContact C-N 3.35Å; D401-F403 PolarHBondContact O-N 3.21Å; F403-A406 PolarHBondContact O-N 3.5Å; F403-F407 VanDerWaalsContact O-CB 3.22Å; F403-F407 WeakPolarHBondContact O-CB 3.43Å; F403-F407 PolarHBondContact O-N 3.48Å; F403-L424 HydrophobicContact CB-CD2 4.31Å; F403-L424 HydrophobicContact CD1-CD2 3.51Å; F403-L424 HydrophobicContact CE1-CD2 4.18Å; F403-L424 HydrophobicContact CG-CD2 4.22Å; F403-K427 HydrophobicContact CD2-CB 4.13Å; F403-K427 HydrophobicContact CE1-CB 4.45Å; F403-K427 HydrophobicContact CE2-CB 3.87Å; F403-K427 HydrophobicContact CE2-CD 4.44Å; F403-K427 HydrophobicContact CZ-CB 4.03Å; F403-K427 HydrophobicContact CZ-CD 4.23Å; F403-K427 HydrophobicContact CZ-CG 4.35Å; F403-M428 HydrophobicContact CB-CG 3.59Å; F403-M428 HydrophobicContact CB-SD 4.44Å
404K98.1Very high96.9Very high81 Ų8150.3 Ų50.335%0.35224%0.237SC..Hα-helixtrans-63.7-45172.9-72.7167.3-166.3152.60111.1L400 D401 T402 F407 I408 M428L400-K404 VanDerWaalsContact O-CG 3.29Å; L400-K404 WeakPolarHBondContact O-CG 3.44Å; L400-K404 PolarHBondContact O-N 3.41Å; D401-K404 WeakPolarHBondContact O-CB 3.46Å; D401-K404 PolarHBondContact O-N 3.21Å; D401-K404 IonicContact OD1-NZ 3.99Å; D401-K404 PolarHBondContact OD1-NZ 2.85Å; T402-K404 PolarHBondContact O-N 3.25Å; K404-F407 PolarHBondContact O-N 3.35Å; K404-I408 WeakPolarHBondContact O-CG1 3.31Å; K404-I408 PolarHBondContact O-N 3.34Å; K404-M428 HydrophobicContact CG-SD 3.95Å
405E97.5Very high96.8Very high78 Ų7843.5 Ų43.536%0.36421%0.206SC..Hα-helixtrans-59.4-49.8175.6-71.3-170.7-13100110.8R369 L383 D401 T402 F407 I408 I409R369-E405 IonicContact CZ-OE2 3.92Å; R369-E405 IonicContact NH2-OE1 2.66Å; R369-E405 IonicContact NH2-OE2 2.67Å; R369-E405 PolarHBondContact NH2-OE2 3.28Å; L383-E405 HydrophobicContact CD1-CB 3.94Å; L383-E405 HydrophobicContact CD2-CB 4.41Å; D401-E405 PolarHBondContact O-N 2.9Å; D401-E405 VanDerWaalsContact O-N 3.11Å; T402-E405 PolarHBondContact O-N 3.2Å; E405-F407 VanDerWaalsContact C-N 3.32Å; E405-F407 PolarHBondContact O-N 3.15Å; E405-I408 PolarHBondContact O-N 3.17Å; E405-I409 PolarHBondContact O-N 3.2Å
406A97.6Very high96.5Very high0 Ų042.6 Ų42.60%020%0.204CC..Hα-helixtrans-56-46.5175.400000111.6L383 M384 T402 F403 I408 I409 M410 L424L383-A406 HydrophobicContact CB-CB 3.76Å; M384-A406 HydrophobicContact CB-CB 4.37Å; T402-A406 PolarHBondContact O-N 3.03Å; F403-A406 PolarHBondContact O-N 3.5Å; A406-I408 PolarHBondContact O-N 2.82Å; A406-I409 PolarHBondContact O-N 3.1Å; A406-M410 VanDerWaalsContact O-CB 3.29Å; A406-M410 WeakPolarHBondContact O-CB 3.25Å; A406-M410 VanDerWaalsContact O-CG 3.23Å; A406-M410 WeakPolarHBondContact O-CG 3.14Å; A406-M410 PolarHBondContact O-N 3.29Å; A406-L424 HydrophobicContact CB-CD1 3.85Å; A406-L424 HydrophobicContact CB-CD2 4.08Å
407F97.3Very high96.1Very high36 Ų3649.3 Ų49.316%0.15824%0.24CC..Hα-helixtrans-61.4-40.6-177.8178.8-98.5000112.5F403 K404 E405 I409 M410 R411 T421 L424 R425 M428F403-F407 VanDerWaalsContact O-CB 3.22Å; F403-F407 WeakPolarHBondContact O-CB 3.43Å; F403-F407 PolarHBondContact O-N 3.48Å; K404-F407 PolarHBondContact O-N 3.35Å; E405-F407 VanDerWaalsContact C-N 3.32Å; E405-F407 PolarHBondContact O-N 3.15Å; F407-I409 VanDerWaalsContact C-N 3.33Å; F407-I409 PolarHBondContact O-N 2.74Å; F407-M410 PolarHBondContact O-N 3.11Å; F407-R411 WeakPolarHBondContact O-CB 3.31Å; F407-R411 PolarHBondContact O-N 2.88Å; F407-T421 HydrophobicContact CD2-CG2 4.08Å; F407-T421 HydrophobicContact CE2-CG2 3.65Å; F407-T421 HydrophobicContact CZ-CG2 4.5Å; F407-L424 HydrophobicContact CB-CD1 4.41Å; F407-L424 HydrophobicContact CD2-CB 4.28Å; F407-R425 HydrophobicContact CE2-CB 4.4Å; F407-M428 HydrophobicContact CB-CE 3.83Å; F407-M428 HydrophobicContact CB-SD 4.19Å; F407-M428 HydrophobicContact CD1-CE 4.14Å; F407-M428 HydrophobicContact CD2-CE 3.66Å; F407-M428 HydrophobicContact CE2-CE 4.25Å; F407-M428 HydrophobicContact CG-CE 3.6Å; F407-M428 HydrophobicContact CG-SD 4.48Å
408I96Very high95.8Very high112 Ų11243.2 Ų43.257%0.57421%0.212SC*.Hα-helixtrans-60-45.1177-69.1164.7000110.5K404 E405 A406 M412K404-I408 WeakPolarHBondContact O-CG1 3.31Å; K404-I408 PolarHBondContact O-N 3.34Å; E405-I408 PolarHBondContact O-N 3.17Å; A406-I408 PolarHBondContact O-N 2.82Å; I408-M412 WeakPolarHBondContact O-CG 3.39Å
409I96.3Very high95.5Very high7 Ų743 Ų434%0.03621%0.214CC..Hα-helixtrans-70.3-46.4-179.9-63.5160.5000110.9D374 P375 H376 H379 L383 E405 A406 F407 M412 T413D374-I409 HydrophobicContact CB-CG1 4.45Å; D374-I409 WeakPolarHBondContact OD1-CD1 3.41Å; D374-I409 WeakPolarHBondContact OD1-CG1 3.41Å; P375-I409 HydrophobicContact CB-CG2 4.42Å; H376-I409 VanDerWaalsContact O-CG2 3.3Å; H376-I409 WeakPolarHBondContact O-CG2 3.22Å; H379-I409 WeakPolarHBondContact ND1-CD1 3.5Å; L383-I409 HydrophobicContact CD1-CD1 3.55Å; E405-I409 PolarHBondContact O-N 3.2Å; A406-I409 PolarHBondContact O-N 3.1Å; F407-I409 VanDerWaalsContact C-N 3.33Å; F407-I409 PolarHBondContact O-N 2.74Å; I409-M412 PolarHBondContact O-N 3.48Å; I409-M412 VanDerWaalsContact O-N 3.13Å; I409-T413 HydrophobicContact CG2-CG2 4.24Å; I409-T413 WeakPolarHBondContact O-CG2 3.32Å; I409-T413 PolarHBondContact O-N 2.93Å; I409-T413 PolarHBondContact O-OG1 2.86Å
410M95.4Very high95.1Very high0 Ų043.3 Ų43.30%022%0.216CC..Hα-helixtrans-67.2-38.1-176.6-72.6-153.171.800112.4M384 A406 F407 M412 T413 H414 G415 L420 L424M384-M410 HydrophobicContact SD-SD 4.19Å; A406-M410 VanDerWaalsContact O-CB 3.29Å; A406-M410 WeakPolarHBondContact O-CB 3.25Å; A406-M410 VanDerWaalsContact O-CG 3.23Å; A406-M410 WeakPolarHBondContact O-CG 3.14Å; A406-M410 PolarHBondContact O-N 3.29Å; F407-M410 PolarHBondContact O-N 3.11Å; M410-M412 PolarHBondContact O-N 3.22Å; M410-T413 WeakPolarHBondContact CA-OG1 3.45Å; M410-T413 PolarHBondContact O-N 3.12Å; M410-H414 HydrophobicContact CE-CB 4.5Å; M410-H414 VanDerWaalsContact CE-CE1 3.44Å; M410-H414 WeakPolarHBondContact CE-CE1 3.42Å; M410-H414 WeakPolarHBondContact CE-ND1 3.35Å; M410-H414 WeakPolarHBondContact O-CA 3.47Å; M410-H414 VanDerWaalsContact O-CB 3.25Å; M410-H414 WeakPolarHBondContact O-CB 3.43Å; M410-H414 PolarHBondContact O-N 3.01Å; M410-G415 PolarHBondContact O-N 3.49Å; M410-L420 HydrophobicContact CE-CB 3.7Å; M410-L420 HydrophobicContact CE-CD2 3.05Å; M410-L420 HydrophobicContact CE-CG 3.45Å; M410-L420 VanDerWaalsContact CE-CG 3.45Å; M410-L420 HydrophobicContact SD-CD2 3.76Å; M410-L420 HydrophobicContact SD-CG 4.01Å; M410-L424 HydrophobicContact CB-CD1 3.99Å; M410-L424 HydrophobicContact CG-CD1 3.87Å; M410-L424 HydrophobicContact SD-CD1 3.3Å; M410-L424 WeakPolarHBondContact SD-CD1 3.33Å; M410-L424 HydrophobicContact SD-CG 4.31Å
411R95Very high94.9Very high125 Ų12542.6 Ų42.647%0.47221%0.212SC..Hα-helixtrans-59.1-32.7172.5179.5173.3164.9-143-10.6112.5F407 G415 D416 T421F407-R411 WeakPolarHBondContact O-CB 3.31Å; F407-R411 PolarHBondContact O-N 2.88Å; R411-G415 WeakPolarHBondContact O-CA 3.01Å; R411-G415 PolarHBondContact O-N 3.33Å; R411-D416 WeakPolarHBondContact CD-OD1 3.42Å; R411-D416 VanDerWaalsContact CG-OD1 3.28Å; R411-D416 WeakPolarHBondContact CG-OD1 3.45Å; R411-D416 IonicContact NE-OD1 3.47Å; R411-D416 PolarHBondContact NE-OD1 2.82Å; R411-D416 VanDerWaalsContact NE-OD1 3.09Å; R411-D416 IonicContact NE-OD2 3.94Å; R411-T421 HydrophobicContact CB-CG2 4.41Å
412M94.8Very high94.7Very high54 Ų5440.2 Ų40.227%0.26620%0.202SC..Hα-helixtrans-81-41.7177.5-63.4-65.8-74.700112.5R31 P375 I408 I409 M410R31-M412 HydrophobicContact CB-CE 4.21Å; R31-M412 HydrophobicContact CG-CE 3.61Å; R31-M412 WeakPolarHBondContact O-CE 3.45Å; P375-M412 HydrophobicContact CB-CB 3.93Å; P375-M412 HydrophobicContact CG-CB 4.24Å; I408-M412 WeakPolarHBondContact O-CG 3.39Å; I409-M412 PolarHBondContact O-N 3.48Å; I409-M412 VanDerWaalsContact O-N 3.13Å; M410-M412 PolarHBondContact O-N 3.22Å
413T95.1Very high94.4Very high0 Ų043 Ų430%022%0.217CC..Hα-helixtrans-86.2-29-174.253.10000113.6V223 V225 R234 V236 P375 P377 I409 M410V223-T413 HydrophobicContact CG2-CG2 4.23Å; V225-T413 WeakPolarHBondContact CG1-O 3.39Å; R234-T413 WeakPolarHBondContact CD-O 3.43Å; V236-T413 HydrophobicContact CG1-CG2 4.31Å; P375-T413 HydrophobicContact CB-CG2 3.93Å; P377-T413 HydrophobicContact CB-CG2 4.45Å; I409-T413 HydrophobicContact CG2-CG2 4.24Å; I409-T413 WeakPolarHBondContact O-CG2 3.32Å; I409-T413 PolarHBondContact O-N 2.93Å; I409-T413 PolarHBondContact O-OG1 2.86Å; M410-T413 WeakPolarHBondContact CA-OG1 3.45Å; M410-T413 PolarHBondContact O-N 3.12Å
414H94.4Very high94.3Very high3 Ų343 Ų431%0.01422%0.217CC..THydrogen-bonded Turntrans-114.2-33.3-177.2-62.471.3000113.3R234 M410 H418R234-H414 VanDerWaalsContact NE-C 3.28Å; R234-H414 PolarHBondContact NE-O 3.12Å; R234-H414 PolarHBondContact NH2-O 3.38Å; M410-H414 HydrophobicContact CE-CB 4.5Å; M410-H414 VanDerWaalsContact CE-CE1 3.44Å; M410-H414 WeakPolarHBondContact CE-CE1 3.42Å; M410-H414 WeakPolarHBondContact CE-ND1 3.35Å; M410-H414 WeakPolarHBondContact O-CA 3.47Å; M410-H414 VanDerWaalsContact O-CB 3.25Å; M410-H414 WeakPolarHBondContact O-CB 3.43Å; M410-H414 PolarHBondContact O-N 3.01Å; H414-H418 HydrophobicContact CB-CB 3.67Å; H414-H418 AromaticContact CD2-CE1 3.49Å; H414-H418 PolarHBondContact CD2-CE1 3.31Å; H414-H418 VanDerWaalsContact CD2-CE1 3.49Å; H414-H418 AromaticContact CD2-CG 3.97Å; H414-H418 AromaticContact CD2-ND1 3.63Å; H414-H418 AromaticContact CD2-NE2 3.72Å
415G93.2Very high94.2Very high1 Ų144.1 Ų44.11%0.0122%0.218CC..  trans94.7161.4-178.900000114.3R234 M410 R411 D417 H418 T421R234-G415 VanDerWaalsContact CZ-CA 3.48Å; M410-G415 PolarHBondContact O-N 3.49Å; R411-G415 WeakPolarHBondContact O-CA 3.01Å; R411-G415 PolarHBondContact O-N 3.33Å; G415-D417 VanDerWaalsContact C-N 3.26Å; G415-D417 PolarHBondContact O-N 3.42Å; G415-H418 PolarHBondContact O-N 2.81Å; G415-T421 VanDerWaalsContact O-CB 3.29Å; G415-T421 WeakPolarHBondContact O-CB 3.5Å; G415-T421 WeakPolarHBondContact O-CG2 3.37Å; G415-T421 PolarHBondContact O-OG1 3.5Å
416D92.3Very high94.1Very high72 Ų7245.5 Ų45.539%0.38523%0.226SC..THydrogen-bonded Turntrans-60.8-31.2-173-72.2-58.7000114.6R411 R425R411-D416 WeakPolarHBondContact CD-OD1 3.42Å; R411-D416 VanDerWaalsContact CG-OD1 3.28Å; R411-D416 WeakPolarHBondContact CG-OD1 3.45Å; R411-D416 IonicContact NE-OD1 3.47Å; R411-D416 PolarHBondContact NE-OD1 2.82Å; R411-D416 VanDerWaalsContact NE-OD1 3.09Å; R411-D416 IonicContact NE-OD2 3.94Å; D416-R425 PolarHBondContact O-NH2 3.5Å; D416-R425 VanDerWaalsContact O-NH2 3.12Å
417D88.8Confident94.1Very high148 Ų14848.2 Ų48.279%0.79124%0.238SC*.THydrogen-bonded Turntrans-91.9-5.6-176-57.6-44.6000113.4G415G415-D417 VanDerWaalsContact C-N 3.26Å; G415-D417 PolarHBondContact O-N 3.42Å
418H90.9Very high94.1Very high6 Ų647 Ų473%0.02823%0.233CC..SBendtrans-67.2138.4-179.1-169.2-87.8000110.5F226 H414 G415 L420 T421 S422F226-H418 PolarHBondContact O-NE2 2.96Å; H414-H418 HydrophobicContact CB-CB 3.67Å; H414-H418 AromaticContact CD2-CE1 3.49Å; H414-H418 PolarHBondContact CD2-CE1 3.31Å; H414-H418 VanDerWaalsContact CD2-CE1 3.49Å; H414-H418 AromaticContact CD2-CG 3.97Å; H414-H418 AromaticContact CD2-ND1 3.63Å; H414-H418 AromaticContact CD2-NE2 3.72Å; G415-H418 PolarHBondContact O-N 2.81Å; H418-L420 VanDerWaalsContact C-N 3.28Å; H418-L420 PolarHBondContact ND1-N 3.09Å; H418-L420 PolarHBondContact O-N 3.19Å; H418-T421 WeakPolarHBondContact O-CB 3.33Å; H418-T421 PolarHBondContact O-N 2.86Å; H418-S422 PolarHBondContact O-N 3.24Å
419P90.5Very high94.2Very high64 Ų6445.8 Ų45.842%0.41623%0.225SC..Hα-helixtrans-50.3-47.5-178.8-30.435.6000113E227 T421 S422 D423E227-P419 HydrophobicContact CG-CG 4.39Å; P419-T421 VanDerWaalsContact C-N 3.32Å; P419-T421 PolarHBondContact O-N 2.74Å; P419-S422 CarbonylContact O-C 3.56Å; P419-S422 WeakPolarHBondContact O-CA 3.29Å; P419-S422 WeakPolarHBondContact O-CB 3.3Å; P419-S422 PolarHBondContact O-N 2.97Å; P419-D423 PolarHBondContact O-N 3.06Å
420L90.8Very high94.2Very high8 Ų848.4 Ų48.44%0.04224%0.237CC..Hα-helixtrans-67.2-29.3-178.8-16270.8000113.8G198 V381 M384 M410 H418 L424G198-L420 WeakPolarHBondContact O-CD2 3.3Å; V381-L420 HydrophobicContact CG2-CD2 4.17Å; M384-L420 HydrophobicContact CE-CD1 3.35Å; M384-L420 HydrophobicContact CE-CG 3.98Å; M384-L420 HydrophobicContact SD-CD1 3.5Å; M384-L420 VanDerWaalsContact SD-CD1 3.5Å; M384-L420 HydrophobicContact SD-CD2 3.85Å; M384-L420 HydrophobicContact SD-CG 3.59Å; M384-L420 VanDerWaalsContact SD-CG 3.59Å; M410-L420 HydrophobicContact CE-CB 3.7Å; M410-L420 HydrophobicContact CE-CD2 3.05Å; M410-L420 HydrophobicContact CE-CG 3.45Å; M410-L420 VanDerWaalsContact CE-CG 3.45Å; M410-L420 HydrophobicContact SD-CD2 3.76Å; M410-L420 HydrophobicContact SD-CG 4.01Å; H418-L420 VanDerWaalsContact C-N 3.28Å; H418-L420 PolarHBondContact ND1-N 3.09Å; H418-L420 PolarHBondContact O-N 3.19Å; L420-L424 PolarHBondContact O-N 3.43Å; L420-L424 VanDerWaalsContact O-N 3.11Å
421T93.9Very high94.3Very high0 Ų048.4 Ų48.40%024%0.237CC..Hα-helixtrans-71.6-33.9172.1-60.10000111.4F407 R411 G415 H418 P419 R425F407-T421 HydrophobicContact CD2-CG2 4.08Å; F407-T421 HydrophobicContact CE2-CG2 3.65Å; F407-T421 HydrophobicContact CZ-CG2 4.5Å; R411-T421 HydrophobicContact CB-CG2 4.41Å; G415-T421 VanDerWaalsContact O-CB 3.29Å; G415-T421 WeakPolarHBondContact O-CB 3.5Å; G415-T421 WeakPolarHBondContact O-CG2 3.37Å; G415-T421 PolarHBondContact O-OG1 3.5Å; H418-T421 WeakPolarHBondContact O-CB 3.33Å; H418-T421 PolarHBondContact O-N 2.86Å; P419-T421 VanDerWaalsContact C-N 3.32Å; P419-T421 PolarHBondContact O-N 2.74Å; T421-R425 PolarHBondContact O-N 3.47Å
422S94.1Very high94.4Very high37 Ų3747.3 Ų47.326%0.25923%0.233SC..Hα-helixtrans-70.1-40172.6-640000112.2H418 P419 L424 R425 M426H418-S422 PolarHBondContact O-N 3.24Å; P419-S422 CarbonylContact O-C 3.56Å; P419-S422 WeakPolarHBondContact O-CA 3.29Å; P419-S422 WeakPolarHBondContact O-CB 3.3Å; P419-S422 PolarHBondContact O-N 2.97Å; S422-L424 VanDerWaalsContact C-N 3.35Å; S422-L424 PolarHBondContact O-N 3.27Å; S422-R425 WeakPolarHBondContact O-CB 3.36Å; S422-R425 PolarHBondContact O-N 3.1Å; S422-R425 VanDerWaalsContact O-N 3.1Å; S422-R425 PolarHBondContact OG-NH1 3.29Å; S422-M426 PolarHBondContact O-N 3.28Å
423D92.8Very high94.4Very high71 Ų7149.7 Ų49.738%0.3825%0.246SC..Hα-helixtrans-60.7-43.2175.5-68.4-13.9000111.4M384 P419 R425 M426 K427M384-D423 HydrophobicContact CE-CB 4.2Å; P419-D423 PolarHBondContact O-N 3.06Å; D423-R425 VanDerWaalsContact C-N 3.32Å; D423-R425 PolarHBondContact O-N 3.23Å; D423-M426 PolarHBondContact O-N 3.27Å; D423-K427 WeakPolarHBondContact O-CB 3.35Å; D423-K427 WeakPolarHBondContact O-CG 3.43Å; D423-K427 PolarHBondContact O-N 2.68Å
424L95.4Very high94.5Very high0 Ų053.3 Ų53.30%026%0.263CS..Hα-helixtrans-61.2-39.9173-83.2176.2000112.5M384 F403 A406 F407 M410 L420 S422 M426 K427 M428M384-L424 HydrophobicContact CB-CD2 4.16Å; M384-L424 HydrophobicContact CE-CD2 4.23Å; M384-L424 HydrophobicContact CE-CG 4.13Å; M384-L424 HydrophobicContact CG-CD2 3.76Å; M384-L424 HydrophobicContact CG-CG 4.33Å; M384-L424 HydrophobicContact SD-CD1 4.34Å; M384-L424 HydrophobicContact SD-CD2 3.97Å; M384-L424 HydrophobicContact SD-CG 3.87Å; F403-L424 HydrophobicContact CB-CD2 4.31Å; F403-L424 HydrophobicContact CD1-CD2 3.51Å; F403-L424 HydrophobicContact CE1-CD2 4.18Å; F403-L424 HydrophobicContact CG-CD2 4.22Å; A406-L424 HydrophobicContact CB-CD1 3.85Å; A406-L424 HydrophobicContact CB-CD2 4.08Å; F407-L424 HydrophobicContact CB-CD1 4.41Å; F407-L424 HydrophobicContact CD2-CB 4.28Å; M410-L424 HydrophobicContact CB-CD1 3.99Å; M410-L424 HydrophobicContact CG-CD1 3.87Å; M410-L424 HydrophobicContact SD-CD1 3.3Å; M410-L424 WeakPolarHBondContact SD-CD1 3.33Å; M410-L424 HydrophobicContact SD-CG 4.31Å; L420-L424 PolarHBondContact O-N 3.43Å; L420-L424 VanDerWaalsContact O-N 3.11Å; S422-L424 VanDerWaalsContact C-N 3.35Å; S422-L424 PolarHBondContact O-N 3.27Å; L424-M426 VanDerWaalsContact C-N 3.32Å; L424-M426 PolarHBondContact O-N 3.08Å; L424-K427 PolarHBondContact O-N 3.46Å; L424-M428 WeakPolarHBondContact O-CG 2.91Å; L424-M428 PolarHBondContact O-N 3.03Å
425R96.3Very high94.4Very high104 Ų10454.7 Ų54.739%0.39227%0.27SS..Hα-helixtrans-61.2-43.4176.6-166.4-175.2-60.5112.4-0.9111.2F407 D416 T421 S422 D423 E429F407-R425 HydrophobicContact CE2-CB 4.4Å; D416-R425 PolarHBondContact O-NH2 3.5Å; D416-R425 VanDerWaalsContact O-NH2 3.12Å; T421-R425 PolarHBondContact O-N 3.47Å; S422-R425 WeakPolarHBondContact O-CB 3.36Å; S422-R425 PolarHBondContact O-N 3.1Å; S422-R425 VanDerWaalsContact O-N 3.1Å; S422-R425 PolarHBondContact OG-NH1 3.29Å; D423-R425 VanDerWaalsContact C-N 3.32Å; D423-R425 PolarHBondContact O-N 3.23Å; R425-E429 PolarHBondContact O-N 3.34Å
426M96.3Very high94.5Very high108 Ų10858.9 Ų58.953%0.53229%0.292SS..Hα-helixtrans-63.7-47.2174.6-71.4174.420.400111.6S422 D423 L424 M428 E429 E430S422-M426 PolarHBondContact O-N 3.28Å; D423-M426 PolarHBondContact O-N 3.27Å; L424-M426 VanDerWaalsContact C-N 3.32Å; L424-M426 PolarHBondContact O-N 3.08Å; M426-M428 VanDerWaalsContact C-N 3.33Å; M426-M428 PolarHBondContact O-N 2.83Å; M426-E429 WeakPolarHBondContact O-CA 3.45Å; M426-E429 WeakPolarHBondContact O-CB 3.2Å; M426-E429 PolarHBondContact O-N 3.1Å; M426-E430 WeakPolarHBondContact O-CG 3.45Å; M426-E430 PolarHBondContact O-N 3.01Å
427K96.8Very high94.4Very high56 Ų5658.4 Ų58.424%0.24330%0.298CS..Hα-helixtrans-59.8-39.7179.4-78-75.6163.1-156.90113.4F403 D423 L424 E429 E430 C431F403-K427 HydrophobicContact CD2-CB 4.13Å; F403-K427 HydrophobicContact CE1-CB 4.45Å; F403-K427 HydrophobicContact CE2-CB 3.87Å; F403-K427 HydrophobicContact CE2-CD 4.44Å; F403-K427 HydrophobicContact CZ-CB 4.03Å; F403-K427 HydrophobicContact CZ-CD 4.23Å; F403-K427 HydrophobicContact CZ-CG 4.35Å; D423-K427 WeakPolarHBondContact O-CB 3.35Å; D423-K427 WeakPolarHBondContact O-CG 3.43Å; D423-K427 PolarHBondContact O-N 2.68Å; L424-K427 PolarHBondContact O-N 3.46Å; K427-E429 VanDerWaalsContact C-N 3.3Å; K427-E429 PolarHBondContact O-N 3.13Å; K427-E430 WeakPolarHBondContact CD-OE2 3.33Å; K427-E430 VanDerWaalsContact CE-OE2 3.31Å; K427-E430 WeakPolarHBondContact CE-OE2 3.23Å; K427-E430 IonicContact NZ-OE2 3.83Å; K427-E430 PolarHBondContact NZ-OE2 2.87Å; K427-E430 PolarHBondContact O-N 3.37Å; K427-C431 PolarHBondContact O-N 3.13Å; K427-C431 VanDerWaalsContact O-N 3.07Å; K427-C431 PolarHBondContact O-SG 3.48Å
428M97.8Very high94.4Very high10 Ų1055.2 Ų55.25%0.04928%0.279CS..Hα-helixtrans-63.7-36173.3-72-175.2-68.600112.5L400 F403 K404 F407 L424 M426 R432L400-M428 HydrophobicContact CD1-CB 3.92Å; L400-M428 HydrophobicContact CD1-CG 4.06Å; F403-M428 HydrophobicContact CB-CG 3.59Å; F403-M428 HydrophobicContact CB-SD 4.44Å; K404-M428 HydrophobicContact CG-SD 3.95Å; F407-M428 HydrophobicContact CB-CE 3.83Å; F407-M428 HydrophobicContact CB-SD 4.19Å; F407-M428 HydrophobicContact CD1-CE 4.14Å; F407-M428 HydrophobicContact CD2-CE 3.66Å; F407-M428 HydrophobicContact CE2-CE 4.25Å; F407-M428 HydrophobicContact CG-CE 3.6Å; F407-M428 HydrophobicContact CG-SD 4.48Å; L424-M428 WeakPolarHBondContact O-CG 2.91Å; L424-M428 PolarHBondContact O-N 3.03Å; M426-M428 VanDerWaalsContact C-N 3.33Å; M426-M428 PolarHBondContact O-N 2.83Å; M428-R432 WeakPolarHBondContact O-CG 3.39Å; M428-R432 PolarHBondContact O-N 2.95Å
429E97.3Very high94Very high87 Ų8760.4 Ų60.441%0.40730%0.303SS..Hα-helixtrans-73-41.3177.8-167.662-168.400111.9R425 M426 K427 C431 R432 L433R425-E429 PolarHBondContact O-N 3.34Å; M426-E429 WeakPolarHBondContact O-CA 3.45Å; M426-E429 WeakPolarHBondContact O-CB 3.2Å; M426-E429 PolarHBondContact O-N 3.1Å; K427-E429 VanDerWaalsContact C-N 3.3Å; K427-E429 PolarHBondContact O-N 3.13Å; E429-C431 VanDerWaalsContact C-N 3.32Å; E429-C431 PolarHBondContact O-N 3.08Å; E429-R432 PolarHBondContact O-N 3.38Å; E429-R432 VanDerWaalsContact O-N 3.16Å; E429-R432 IonicContact OE2-CZ 2.94Å; E429-R432 IonicContact OE2-NH1 3.88Å; E429-R432 PolarHBondContact OE2-NH1 3.08Å; E429-L433 HydrophobicContact CG-CD1 4.3Å; E429-L433 WeakPolarHBondContact O-CG 3.33Å; E429-L433 PolarHBondContact O-N 3.39Å
430E96.7Very high93.4Very high63 Ų6361.3 Ų61.329%0.29431%0.311SS..Hα-helixtrans-53.5-49171.4-71.5171.4-169.600110.9H391 M426 K427 R432 L433 E434H391-E430 IonicContact CE1-OE2 3.59Å; M426-E430 WeakPolarHBondContact O-CG 3.45Å; M426-E430 PolarHBondContact O-N 3.01Å; K427-E430 WeakPolarHBondContact CD-OE2 3.33Å; K427-E430 VanDerWaalsContact CE-OE2 3.31Å; K427-E430 WeakPolarHBondContact CE-OE2 3.23Å; K427-E430 IonicContact NZ-OE2 3.83Å; K427-E430 PolarHBondContact NZ-OE2 2.87Å; K427-E430 PolarHBondContact O-N 3.37Å; E430-R432 VanDerWaalsContact C-N 3.33Å; E430-R432 PolarHBondContact O-N 3.47Å; E430-L433 PolarHBondContact O-N 3.18Å; E430-E434 WeakPolarHBondContact O-CB 3.36Å; E430-E434 WeakPolarHBondContact O-CG 3.45Å; E430-E434 PolarHBondContact O-N 3.07Å
431C97Very high92.2Very high0 Ų064 Ų640%034%0.341CS..Hα-helixtrans-57.7-43.5177.5-660000112.4H391 L400 K427 E429 E434 M435H391-C431 PolarHBondContact CD2-SG 3.47Å; L400-C431 HydrophobicContact CB-CB 4.13Å; L400-C431 HydrophobicContact CD1-CB 4.36Å; K427-C431 PolarHBondContact O-N 3.13Å; K427-C431 VanDerWaalsContact O-N 3.07Å; K427-C431 PolarHBondContact O-SG 3.48Å; E429-C431 VanDerWaalsContact C-N 3.32Å; E429-C431 PolarHBondContact O-N 3.08Å; C431-E434 PolarHBondContact O-N 3.21Å; C431-M435 WeakPolarHBondContact O-CB 3.4Å; C431-M435 WeakPolarHBondContact O-CG 3.11Å; C431-M435 PolarHBondContact O-N 3.33Å
432R96.6Very high90.5Very high101 Ų10174 Ų7438%0.38138%0.378SS..Hα-helixtrans-64.1-47.4179.7-70.5173-169.5135.84.8111.7L400 M428 E429 E430 E434 M435 D436L400-R432 HydrophobicContact CD1-CG 4.46Å; L400-R432 HydrophobicContact CD2-CG 4.2Å; M428-R432 WeakPolarHBondContact O-CG 3.39Å; M428-R432 PolarHBondContact O-N 2.95Å; E429-R432 PolarHBondContact O-N 3.38Å; E429-R432 VanDerWaalsContact O-N 3.16Å; E429-R432 IonicContact OE2-CZ 2.94Å; E429-R432 IonicContact OE2-NH1 3.88Å; E429-R432 PolarHBondContact OE2-NH1 3.08Å; E430-R432 VanDerWaalsContact C-N 3.33Å; E430-R432 PolarHBondContact O-N 3.47Å; R432-E434 VanDerWaalsContact C-N 3.32Å; R432-E434 PolarHBondContact O-N 3.2Å; R432-M435 PolarHBondContact O-N 3.21Å; R432-D436 PolarHBondContact O-N 3.13Å
433L95.9Very high88.2Confident104 Ų10482.9 Ų82.955%0.54542%0.415SS..Hα-helixtrans-62.7-40.7180-68.1173.3000111.6E429 E430 D436 A437E429-L433 HydrophobicContact CG-CD1 4.3Å; E429-L433 WeakPolarHBondContact O-CG 3.33Å; E429-L433 PolarHBondContact O-N 3.39Å; E430-L433 PolarHBondContact O-N 3.18Å; L433-D436 PolarHBondContact O-N 3.15Å; L433-A437 WeakPolarHBondContact O-CB 3.41Å; L433-A437 PolarHBondContact O-N 2.87Å
434E96.1Very high88Confident77 Ų7783.5 Ų83.536%0.3642%0.417SS..Hα-helixtrans-66.7-40.8176.7-72.2170.3-163.600111.9H391 L396 E430 C431 R432 A437 Q438H391-E434 IonicContact CD2-OE2 3.42Å; H391-E434 IonicContact CE1-OE1 3.43Å; H391-E434 IonicContact CE1-OE2 3.62Å; H391-E434 IonicContact NE2-OE1 3.06Å; H391-E434 PolarHBondContact NE2-OE1 2.76Å; H391-E434 IonicContact NE2-OE2 3.55Å; H391-E434 PolarHBondContact NE2-OE2 3.03Å; L396-E434 HydrophobicContact CD1-CB 3.67Å; L396-E434 HydrophobicContact CD2-CB 4.46Å; L396-E434 WeakPolarHBondContact CD2-OE2 3.47Å; E430-E434 WeakPolarHBondContact O-CB 3.36Å; E430-E434 WeakPolarHBondContact O-CG 3.45Å; E430-E434 PolarHBondContact O-N 3.07Å; C431-E434 PolarHBondContact O-N 3.21Å; R432-E434 VanDerWaalsContact C-N 3.32Å; R432-E434 PolarHBondContact O-N 3.2Å; E434-A437 PolarHBondContact O-N 2.76Å; E434-Q438 WeakPolarHBondContact O-CG 3.16Å; E434-Q438 PolarHBondContact O-N 2.73Å
435M94.1Very high87.6Confident31 Ų3187.9 Ų87.915%0.15344%0.439CS..Hα-helixtrans-62.2-45.7174.5-73173.165.900112L396 E397 L400 C431 R432 A437 Q438 Q439L396-M435 HydrophobicContact CB-CG 3.53Å; L396-M435 HydrophobicContact CB-SD 4.04Å; L396-M435 HydrophobicContact CD1-CB 4.47Å; L396-M435 HydrophobicContact CD1-CG 3.67Å; L396-M435 HydrophobicContact CG-CG 4.26Å; E397-M435 HydrophobicContact CG-CE 3.53Å; E397-M435 HydrophobicContact CG-SD 4.3Å; L400-M435 HydrophobicContact CD2-SD 4.19Å; C431-M435 WeakPolarHBondContact O-CB 3.4Å; C431-M435 WeakPolarHBondContact O-CG 3.11Å; C431-M435 PolarHBondContact O-N 3.33Å; R432-M435 PolarHBondContact O-N 3.21Å; M435-A437 VanDerWaalsContact C-N 3.3Å; M435-A437 PolarHBondContact O-N 2.71Å; M435-Q438 PolarHBondContact O-N 3.02Å; M435-Q439 WeakPolarHBondContact O-CG 3.15Å; M435-Q439 PolarHBondContact O-N 3.08Å
436D93.4Very high87.1Confident90 Ų9087 Ų8748%0.48144%0.442SS..Hα-helixtrans-62.8-38.4177.8-72.3-13.8000111.4R432 L433 Q439 S440R432-D436 PolarHBondContact O-N 3.13Å; L433-D436 PolarHBondContact O-N 3.15Å; D436-Q439 PolarHBondContact O-N 3.14Å; D436-S440 WeakPolarHBondContact O-CB 3.22Å; D436-S440 PolarHBondContact O-N 3.16Å; D436-S440 PolarHBondContact O-OG 3.18Å
437A91.3Very high86.6Confident62 Ų6285.8 Ų85.851%0.51244%0.437SS..Hα-helixtrans-65.8-41.517500000112.3L433 E434 M435 Q439 S440 G441L433-A437 WeakPolarHBondContact O-CB 3.41Å; L433-A437 PolarHBondContact O-N 2.87Å; E434-A437 PolarHBondContact O-N 2.76Å; M435-A437 VanDerWaalsContact C-N 3.3Å; M435-A437 PolarHBondContact O-N 2.71Å; A437-Q439 VanDerWaalsContact C-N 3.3Å; A437-Q439 PolarHBondContact O-N 2.68Å; A437-S440 PolarHBondContact O-N 3.26Å; A437-G441 PolarHBondContact O-N 3.36Å
438Q89.1Confident85.9Confident81 Ų8187.6 Ų87.638%0.37945%0.449SS..Hα-helixtrans-63.8-33.9175.5-73.9-178.81.300112.6E434 M435 R442E434-Q438 WeakPolarHBondContact O-CG 3.16Å; E434-Q438 PolarHBondContact O-N 2.73Å; M435-Q438 PolarHBondContact O-N 3.02Å; Q438-R442 VanDerWaalsContact O-CG 3.32Å; Q438-R442 WeakPolarHBondContact O-CG 3.49Å
439Q81.5Confident85.1Confident114 Ų11492.8 Ų92.853%0.53348%0.475SS..Hα-helixtrans-72.9-41.5174.7-69.2177.717.200111.7M435 D436 A437 G441 R442M435-Q439 WeakPolarHBondContact O-CG 3.15Å; M435-Q439 PolarHBondContact O-N 3.08Å; D436-Q439 PolarHBondContact O-N 3.14Å; A437-Q439 VanDerWaalsContact C-N 3.3Å; A437-Q439 PolarHBondContact O-N 2.68Å; Q439-G441 PolarHBondContact O-N 2.83Å; Q439-R442 PolarHBondContact O-N 3.4Å
440S78.9Confident84.3Confident84 Ų8493.2 Ų93.259%0.58748%0.48SS*.Hα-helixtrans-70.2-30-179-56.40000113.4D436 A437D436-S440 WeakPolarHBondContact O-CB 3.22Å; D436-S440 PolarHBondContact O-N 3.16Å; D436-S440 PolarHBondContact O-OG 3.18Å; A437-S440 PolarHBondContact O-N 3.26Å
441G65.3Low83.3Confident65 Ų6595.5 Ų95.567%0.6749%0.494SS*.THydrogen-bonded Turntrans-83.3-3.917700000115.4A437 Q439A437-G441 PolarHBondContact O-N 3.36Å; Q439-G441 PolarHBondContact O-N 2.83Å
442R58.6Low82.2Confident208 Ų208103.5 Ų103.579%0.78554%0.536SS*.THydrogen-bonded Turntrans-94.4-4.6174.3-74.2177.1-174.9-170.55.1113.2Q438 Q439Q438-R442 VanDerWaalsContact O-CG 3.32Å; Q438-R442 WeakPolarHBondContact O-CG 3.49Å; Q439-R442 PolarHBondContact O-N 3.4Å
443H45.3Very low80.9Confident225 Ų225103.7 Ų103.7100%1.04255%0.55SS*.  trans-102.50170.7-72.3-51.3000110.1

Retrieved 443 of 443 residues in 206 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).