A0A096NDP0_PAPAN Loading...

ArfGAP with dual PH domains 1

AlphaFold DB , UniProt , Accession A0A096NDP0, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 374 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M71.7Confident84.5Confident162 Ų16293.1 Ų93.180%0.79844%0.441SS*.  0-80.80-60-127.8-82.100114K3 E4 R5M1-K3 PolarHBondContact O-N 2.76Å; M1-E4 VanDerWaalsContact CA-OE2 3.29Å; M1-E4 WeakPolarHBondContact CA-OE2 3.35Å; M1-E4 PolarHBondContact N-OE2 3.48Å; M1-E4 PolarHBondContact O-N 3.24Å; M1-R5 PolarHBondContact O-N 3.19Å
2A75.5Confident85.4Confident65 Ų6586 Ų8654%0.53741%0.408SS..Hα-helixtrans-64.7-38.2-174.200000114.5R5 R6A2-R5 PolarHBondContact O-N 2.75Å; A2-R6 PolarHBondContact O-N 3.22Å
3K77Confident86.1Confident190 Ų19081.2 Ų81.283%0.82639%0.386SS*.Hα-helixtrans-64.7-37.1175.2-172.7178.8178.6-178.50112.5M1 R7M1-K3 PolarHBondContact O-N 2.76Å; K3-R7 PolarHBondContact O-N 3.18Å; K3-R7 VanDerWaalsContact O-N 3.08Å
4E82.6Confident86.7Confident111 Ų11186.7 Ų86.752%0.51941%0.411SS..Hα-helixtrans-70.9-41.8177.4-69.3158.3153.900111.3M1 R6 R7 A8M1-E4 VanDerWaalsContact CA-OE2 3.29Å; M1-E4 WeakPolarHBondContact CA-OE2 3.35Å; M1-E4 PolarHBondContact N-OE2 3.48Å; M1-E4 PolarHBondContact O-N 3.24Å; E4-R6 VanDerWaalsContact C-N 3.33Å; E4-R6 PolarHBondContact O-N 3.23Å; E4-R7 WeakPolarHBondContact O-CB 3.34Å; E4-R7 PolarHBondContact O-N 3.48Å; E4-R7 VanDerWaalsContact O-N 3.13Å; E4-A8 PolarHBondContact O-N 3.13Å
5R83.4Confident87.3Confident74 Ų7488.3 Ų88.328%0.27941%0.412SS..Hα-helixtrans-61.5-40.9174.2-70.5-167.3-69.3-113.21.9112.1M1 A2 R7 A8 V9 W65 V70M1-R5 PolarHBondContact O-N 3.19Å; A2-R5 PolarHBondContact O-N 2.75Å; R5-R7 VanDerWaalsContact C-N 3.34Å; R5-R7 PolarHBondContact O-N 3.33Å; R5-A8 WeakPolarHBondContact O-CB 3.48Å; R5-A8 PolarHBondContact O-N 3.03Å; R5-V9 WeakPolarHBondContact O-CG2 3.43Å; R5-V9 PolarHBondContact O-N 3.42Å; R5-V9 VanDerWaalsContact O-N 3.12Å; R5-W65 WeakPolarHBondContact CD-O 3.33Å; R5-W65 PolarHBondContact NE-O 3.33Å; R5-V70 HydrophobicContact CB-CG2 4.36Å
6R82.3Confident87.7Confident89 Ų8990.3 Ų90.334%0.33644%0.435SS..Hα-helixtrans-61.2-42.4172.8-172.8177.1-63.9-156.1-0.9112A2 E4 A8 V9 L10 R61 L62 D63A2-R6 PolarHBondContact O-N 3.22Å; E4-R6 VanDerWaalsContact C-N 3.33Å; E4-R6 PolarHBondContact O-N 3.23Å; R6-A8 VanDerWaalsContact C-N 3.34Å; R6-V9 PolarHBondContact O-N 3.43Å; R6-L10 HydrophobicContact CG-CD1 4.41Å; R6-L10 WeakPolarHBondContact O-CG 3.45Å; R6-L10 PolarHBondContact O-N 3.1Å; R6-L10 VanDerWaalsContact O-N 3.09Å; R6-R61 WeakPolarHBondContact CD-O 3.22Å; R6-R61 PolarHBondContact NH1-O 3.49Å; R6-L62 PolarHBondContact NH1-O 3.02Å; R6-L62 PolarHBondContact NH2-O 2.99Å; R6-D63 PolarHBondContact NH2-O 3.2Å
7R87.8Confident88.2Confident151 Ų15185.5 Ų85.557%0.5742%0.415SS*.Hα-helixtrans-60.6-43.2174.7-173.5179.465.7-162-4.8111.4K3 E4 R5 V9 L10 E11K3-R7 PolarHBondContact O-N 3.18Å; K3-R7 VanDerWaalsContact O-N 3.08Å; E4-R7 WeakPolarHBondContact O-CB 3.34Å; E4-R7 PolarHBondContact O-N 3.48Å; E4-R7 VanDerWaalsContact O-N 3.13Å; R5-R7 VanDerWaalsContact C-N 3.34Å; R5-R7 PolarHBondContact O-N 3.33Å; R7-V9 PolarHBondContact O-N 3.48Å; R7-L10 WeakPolarHBondContact O-CB 3.22Å; R7-L10 PolarHBondContact O-N 3.28Å; R7-L10 VanDerWaalsContact O-N 3.12Å; R7-E11 IonicContact NE-OE1 3.94Å; R7-E11 WeakPolarHBondContact O-CG 3.19Å; R7-E11 PolarHBondContact O-N 3.43Å
8A91.5Very high88.7Confident30 Ų3081.1 Ų81.125%0.24839%0.393CS..Hα-helixtrans-59.9-43.3177.800000112.4E4 R5 R6 L10 E11 L12 V70E4-A8 PolarHBondContact O-N 3.13Å; R5-A8 WeakPolarHBondContact O-CB 3.48Å; R5-A8 PolarHBondContact O-N 3.03Å; R6-A8 VanDerWaalsContact C-N 3.34Å; A8-L10 VanDerWaalsContact C-N 3.32Å; A8-L10 PolarHBondContact O-N 3.37Å; A8-E11 WeakPolarHBondContact O-CB 3.45Å; A8-E11 PolarHBondContact O-N 2.78Å; A8-L12 WeakPolarHBondContact O-CG 3.5Å; A8-L12 PolarHBondContact O-N 2.84Å; A8-V70 HydrophobicContact CB-CG1 3.85Å
9V90.9Very high89.2Confident0 Ų079.3 Ų79.30%039%0.393CS..Hα-helixtrans-67.4-33.5176-170.40000111.8R5 R6 R7 E11 L12 L13 F39 V60 W65 V70 L73R5-V9 WeakPolarHBondContact O-CG2 3.43Å; R5-V9 PolarHBondContact O-N 3.42Å; R5-V9 VanDerWaalsContact O-N 3.12Å; R6-V9 PolarHBondContact O-N 3.43Å; R7-V9 PolarHBondContact O-N 3.48Å; V9-E11 VanDerWaalsContact C-N 3.34Å; V9-L12 WeakPolarHBondContact O-CB 3.34Å; V9-L12 PolarHBondContact O-N 3.5Å; V9-L13 PolarHBondContact O-N 3.03Å; V9-F39 HydrophobicContact CG1-CE1 4.24Å; V9-V60 HydrophobicContact CB-CG1 4.32Å; V9-V60 HydrophobicContact CG1-CB 4.32Å; V9-V60 HydrophobicContact CG1-CG1 3.72Å; V9-V60 HydrophobicContact CG1-CG2 4.07Å; V9-W65 HydrophobicContact CG1-CD2 4.48Å; V9-W65 HydrophobicContact CG1-CZ2 4.42Å; V9-W65 HydrophobicContact CG2-CB 4.13Å; V9-W65 HydrophobicContact CG2-CD2 3.92Å; V9-W65 HydrophobicContact CG2-CE3 4.28Å; V9-W65 HydrophobicContact CG2-CG 3.82Å; V9-V70 HydrophobicContact CG2-CB 4.32Å; V9-V70 HydrophobicContact CG2-CG1 4.18Å; V9-V70 HydrophobicContact CG2-CG2 3.52Å; V9-L73 HydrophobicContact CG1-CD1 4.08Å
10L92.3Very high89.6Confident52 Ų5283 Ų8327%0.27240%0.402SS..Hα-helixtrans-65.3-36.5172.9-70.4167.6000112.4R6 R7 A8 L12 L13 V60 R61R6-L10 HydrophobicContact CG-CD1 4.41Å; R6-L10 WeakPolarHBondContact O-CG 3.45Å; R6-L10 PolarHBondContact O-N 3.1Å; R6-L10 VanDerWaalsContact O-N 3.09Å; R7-L10 WeakPolarHBondContact O-CB 3.22Å; R7-L10 PolarHBondContact O-N 3.28Å; R7-L10 VanDerWaalsContact O-N 3.12Å; A8-L10 VanDerWaalsContact C-N 3.32Å; A8-L10 PolarHBondContact O-N 3.37Å; L10-L12 VanDerWaalsContact C-N 3.27Å; L10-L12 PolarHBondContact O-N 3.24Å; L10-L13 HydrophobicContact CD2-CD1 4.41Å; L10-L13 WeakPolarHBondContact O-CB 3.48Å; L10-L13 PolarHBondContact O-N 3.36Å; L10-V60 HydrophobicContact CD2-CG1 3.87Å; L10-V60 HydrophobicContact CG-CG1 4.38Å; L10-R61 HydrophobicContact CD2-CG 4.03Å
11E94.9Very high90.1Very high100 Ų10079.2 Ų79.247%0.46739%0.385SS..Hα-helixtrans-64.8-32.6173.5-70.7166.8-168.500111.5R7 A8 V9 L13 Q14R7-E11 IonicContact NE-OE1 3.94Å; R7-E11 WeakPolarHBondContact O-CG 3.19Å; R7-E11 PolarHBondContact O-N 3.43Å; A8-E11 WeakPolarHBondContact O-CB 3.45Å; A8-E11 PolarHBondContact O-N 2.78Å; V9-E11 VanDerWaalsContact C-N 3.34Å; E11-L13 VanDerWaalsContact C-N 3.27Å; E11-L13 PolarHBondContact O-N 2.86Å; E11-Q14 WeakPolarHBondContact O-CB 3.42Å; E11-Q14 PolarHBondContact O-N 3.46Å
12L95.4Very high91.3Very high8 Ų872 Ų724%0.04235%0.35CS..Hα-helixtrans-63.4-31174.8-60.7-178.4000113.1A8 V9 L10 Q14 R15 N18 F39 L73 A74A8-L12 WeakPolarHBondContact O-CG 3.5Å; A8-L12 PolarHBondContact O-N 2.84Å; V9-L12 WeakPolarHBondContact O-CB 3.34Å; V9-L12 PolarHBondContact O-N 3.5Å; L10-L12 VanDerWaalsContact C-N 3.27Å; L10-L12 PolarHBondContact O-N 3.24Å; L12-Q14 PolarHBondContact O-N 2.86Å; L12-R15 WeakPolarHBondContact O-CB 3.48Å; L12-R15 PolarHBondContact O-N 3.23Å; L12-N18 PolarHBondContact O-ND2 3.16Å; L12-F39 HydrophobicContact CB-CE1 4.28Å; L12-F39 HydrophobicContact CB-CE2 4.2Å; L12-F39 HydrophobicContact CB-CZ 3.52Å; L12-F39 HydrophobicContact CD1-CZ 3.98Å; L12-F39 HydrophobicContact CG-CZ 4.41Å; L12-L73 HydrophobicContact CD1-CB 3.61Å; L12-A74 HydrophobicContact CD1-CB 4.13Å; L12-A74 HydrophobicContact CD2-CB 3.77Å
13L93.9Very high92.5Very high24 Ų2469.2 Ų69.213%0.12633%0.327CS..Hα-helixtrans-67.1-24.1174.3-71.1177.3000112.8V9 L10 E11 R15 P29 F39 V60V9-L13 PolarHBondContact O-N 3.03Å; L10-L13 HydrophobicContact CD2-CD1 4.41Å; L10-L13 WeakPolarHBondContact O-CB 3.48Å; L10-L13 PolarHBondContact O-N 3.36Å; E11-L13 VanDerWaalsContact C-N 3.27Å; E11-L13 PolarHBondContact O-N 2.86Å; L13-R15 PolarHBondContact O-N 3.13Å; L13-P29 HydrophobicContact CD2-CG 4.18Å; L13-P29 WeakPolarHBondContact CD2-O 3.41Å; L13-F39 HydrophobicContact CD2-CB 4.18Å; L13-F39 HydrophobicContact CD2-CD1 3.32Å; L13-F39 HydrophobicContact CD2-CE1 3.88Å; L13-F39 HydrophobicContact CD2-CG 3.9Å; L13-F39 HydrophobicContact CG-CD1 4.21Å; L13-F39 HydrophobicContact CG-CE1 4.3Å; L13-V60 HydrophobicContact CD1-CB 4.22Å; L13-V60 HydrophobicContact CD1-CG1 3.56Å; L13-V60 HydrophobicContact CG-CG1 4.11Å
14Q94.1Very high93.5Very high158 Ų15860.7 Ų60.774%0.73829%0.291SS*.THydrogen-bonded Turntrans-78.4-10.7179.5-58.7-179.7-4.200112.6E11 L12E11-Q14 WeakPolarHBondContact O-CB 3.42Å; E11-Q14 PolarHBondContact O-N 3.46Å; L12-Q14 PolarHBondContact O-N 2.86Å
15R95.9Very high94.2Very high110 Ų11056.7 Ų56.742%0.41528%0.279SS..SBendtrans-66.4132.9174.4-63.7-177.1178.8-174.51.2109.5L12 L13 G17 N18 A74L12-R15 WeakPolarHBondContact O-CB 3.48Å; L12-R15 PolarHBondContact O-N 3.23Å; L13-R15 PolarHBondContact O-N 3.13Å; R15-G17 PolarHBondContact O-N 2.94Å; R15-G17 VanDerWaalsContact O-N 3.09Å; R15-N18 PolarHBondContact O-N 3.4Å; R15-A74 PolarHBondContact NH1-O 2.85Å
16P94.3Very high94.9Very high121 Ų12153.8 Ų53.879%0.78627%0.271SS*.G310 helixtrans-52-40-175.2-29.735000114.2N18 A19P16-N18 PolarHBondContact O-N 3.45Å; P16-A19 PolarHBondContact O-N 3.13Å
17G95.4Very high95.7Very high9 Ų953.4 Ų53.49%0.09328%0.28CS..G310 helixtrans-59.5-26.1178.200000115.2R15 N78 D79 R82R15-G17 PolarHBondContact O-N 2.94Å; R15-G17 VanDerWaalsContact O-N 3.09Å; G17-N78 VanDerWaalsContact O-CB 3.23Å; G17-N78 WeakPolarHBondContact O-CB 3.28Å; G17-D79 WeakPolarHBondContact CA-OD2 3.33Å; G17-R82 PolarHBondContact O-NH2 2.88Å
18N98Very high96.1Very high5 Ų552.3 Ų52.33%0.02729%0.286CS..G310 helixtrans-101.11.2-172.6-62.9-25.8000113.7L12 R15 P16 R20 P29 F39 N78L12-N18 PolarHBondContact O-ND2 3.16Å; R15-N18 PolarHBondContact O-N 3.4Å; P16-N18 PolarHBondContact O-N 3.45Å; N18-R20 PolarHBondContact O-N 3.48Å; N18-R20 VanDerWaalsContact O-N 3.12Å; N18-P29 WeakPolarHBondContact O-CG 3.48Å; N18-F39 HydrophobicContact CB-CD2 3.88Å; N18-F39 HydrophobicContact CB-CE2 4.42Å; N18-F39 HydrophobicContact CB-CG 4.3Å; N18-F39 VanDerWaalsContact ND2-CE2 3.33Å; N18-F39 WeakPolarHBondContact ND2-CE2 3.36Å; N18-F39 WeakPolarHBondContact OD1-CD2 3.42Å; N18-N78 WeakPolarHBondContact OD1-CB 3.04Å; N18-N78 PolarHBondContact OD1-N 2.93Å
19A97.3Very high96.3Very high48 Ų4851 Ų5140%0.39727%0.274SS..SBendtrans-66-14.5-176.500000114.3P16 D28 P29P16-A19 PolarHBondContact O-N 3.13Å; A19-D28 PolarHBondContact O-N 3.33Å; A19-D28 VanDerWaalsContact O-N 3.08Å; A19-P29 WeakPolarHBondContact O-CD 3.34Å
20R98.4Very high96.6Very high152 Ų15253.2 Ų53.257%0.57429%0.286SS*.BIsolated β-bridgetrans-131.3146.4178.3-70.2-177.3169.8-99.30.8110.6N18 A22 G25 A26 N78N18-R20 PolarHBondContact O-N 3.48Å; N18-R20 VanDerWaalsContact O-N 3.12Å; R20-A22 PolarHBondContact O-N 3.5Å; R20-G25 PolarHBondContact NH1-O 3.28Å; R20-A26 CarbonylContact C-O 3.45Å; R20-A26 WeakPolarHBondContact CA-O 3.45Å; R20-N78 PolarHBondContact O-ND2 2.79Å
21C98.8Very high96.9Very high4 Ų452.2 Ų52.23%0.02728%0.279CS..  trans-49.4128.5172.7174.70000110.7D23 C24 G25 A26 C41C21-D23 PolarHBondContact O-N 3.2Å; C21-D23 VanDerWaalsContact O-N 3.07Å; C21-C24 VanDerWaalsContact SG-SG 3.61Å; C21-G25 WeakPolarHBondContact O-CA 3.39Å; C21-G25 PolarHBondContact O-N 2.67Å; C21-G25 VanDerWaalsContact O-N 3.07Å; C21-A26 HydrophobicContact CB-CB 4.13Å; C21-A26 WeakPolarHBondContact CB-O 3.11Å; C21-A26 PolarHBondContact N-O 3.13Å; C21-C41 HydrophobicContact CB-CB 4.11Å; C21-C41 PolarHBondContact SG-N 2.73Å
22A98.8Very high97.1Very high10 Ų1047.4 Ų47.48%0.08326%0.257CS..THydrogen-bonded Turntrans-59.8-20.3-177.600000114.2R20 V38 F39 I40 N78 K112R20-A22 PolarHBondContact O-N 3.5Å; A22-V38 HydrophobicContact CB-CB 3.9Å; A22-V38 HydrophobicContact CB-CG1 4.09Å; A22-F39 PolarHBondContact N-O 3.41Å; A22-I40 HydrophobicContact CB-CG2 4.02Å; A22-N78 HydrophobicContact CB-CB 4.47Å; A22-K112 PolarHBondContact O-NZ 3.37Å
23D98.8Very high97.3Very high8 Ų847 Ų474%0.04326%0.255CS..THydrogen-bonded Turntrans-109.1-46.4-170-54.1-41.8000114C21 I40 C44 H48 W108 I109 K112 Y113C21-D23 PolarHBondContact O-N 3.2Å; C21-D23 VanDerWaalsContact O-N 3.07Å; D23-I40 VanDerWaalsContact OD2-CG2 3.25Å; D23-I40 WeakPolarHBondContact OD2-CG2 3.4Å; D23-C44 HydrophobicContact CB-CB 4.47Å; D23-H48 IonicContact OD2-CD2 2.63Å; D23-H48 IonicContact OD2-NE2 3.09Å; D23-H48 PolarHBondContact OD2-NE2 3.08Å; D23-W108 PolarHBondContact O-NE1 3.35Å; D23-I109 HydrophobicContact CB-CD1 4.07Å; D23-I109 HydrophobicContact CB-CG1 3.8Å; D23-K112 VanDerWaalsContact OD1-CE 3.31Å; D23-K112 WeakPolarHBondContact OD1-CE 3.43Å; D23-K112 IonicContact OD1-NZ 2.75Å; D23-K112 PolarHBondContact OD1-NZ 3.03Å; D23-Y113 VanDerWaalsContact OD1-CE2 3.23Å; D23-Y113 WeakPolarHBondContact OD1-CE2 3.48Å; D23-Y113 VanDerWaalsContact OD1-CZ 3.32Å; D23-Y113 PolarHBondContact OD1-OH 2.84Å
24C98.5Very high97.4Very high11 Ų1148.5 Ų48.57%0.07426%0.259CS..THydrogen-bonded Turntrans-113.3-2.9-177.2690000113.4C21 A26 C44 P98C21-C24 VanDerWaalsContact SG-SG 3.61Å; C24-A26 PolarHBondContact O-N 2.95Å; C24-C44 VanDerWaalsContact SG-SG 3.62Å; C24-P98 HydrophobicContact CB-CG 4.37Å; C24-P98 VanDerWaalsContact O-CD 3.23Å; C24-P98 WeakPolarHBondContact O-CD 3.22Å
25G98.3Very high97.7Very high26 Ų2643.6 Ų43.627%0.26824%0.24SC..  trans71.47.7-179.700000115.5R20 C21R20-G25 PolarHBondContact NH1-O 3.28Å; C21-G25 WeakPolarHBondContact O-CA 3.39Å; C21-G25 PolarHBondContact O-N 2.67Å; C21-G25 VanDerWaalsContact O-N 3.07Å
26A98.3Very high97.8Very high13 Ų1339.1 Ų39.111%0.10722%0.224CC..  trans-53138.6172.100000110.9R20 C21 C24 C41 P98R20-A26 CarbonylContact C-O 3.45Å; R20-A26 WeakPolarHBondContact CA-O 3.45Å; C21-A26 HydrophobicContact CB-CB 4.13Å; C21-A26 WeakPolarHBondContact CB-O 3.11Å; C21-A26 PolarHBondContact N-O 3.13Å; C24-A26 PolarHBondContact O-N 2.95Å; A26-C41 HydrophobicContact CB-CB 4.12Å; A26-P98 HydrophobicContact CB-CG 3.88Å
27P97.8Very high98Very high81 Ų8133.3 Ų33.353%0.52619%0.186SC..BIsolated β-bridgetrans-66.8159.6179.730.7-35.7000111.7
28D95.9Very high98.2Very high128 Ų12832.9 Ų32.968%0.68418%0.182SC*.SBendtrans51.860167.8-53.5-48.5000114.5A19 D30A19-D28 PolarHBondContact O-N 3.33Å; A19-D28 VanDerWaalsContact O-N 3.08Å; D28-D30 PolarHBondContact O-N 2.79Å
29P97.6Very high98.2Very high2 Ų232.7 Ų32.71%0.01318%0.181CC..  trans-60.5135.1178.926.5-33.4000111.6L13 N18 A19 F39 I40L13-P29 HydrophobicContact CD2-CG 4.18Å; L13-P29 WeakPolarHBondContact CD2-O 3.41Å; N18-P29 WeakPolarHBondContact O-CG 3.48Å; A19-P29 WeakPolarHBondContact O-CD 3.34Å; P29-F39 HydrophobicContact CB-CB 4.23Å; P29-F39 HydrophobicContact CG-CB 3.96Å; P29-I40 VanDerWaalsContact CB-O 3.3Å; P29-I40 WeakPolarHBondContact CB-O 3.36Å
30D96.8Very high98.3Very high47 Ų4730.4 Ų30.425%0.25116%0.162SC..  trans-115.32.6-175.764.6-41.2000113.4D28 I40 L42 V60D28-D30 PolarHBondContact O-N 2.79Å; D30-I40 PolarHBondContact N-O 2.9Å; D30-L42 PolarHBondContact OD1-N 2.97Å; D30-V60 PolarHBondContact O-N 2.88Å
31W98.5Very high98.3Very high31 Ų3123.9 Ų23.912%0.11714%0.14CC..EExtended strand (participates in β ladder)trans-123.2157.6175.7-69.174.1000111F39 I40 L42 V57 K58 S59W31-F39 WeakPolarHBondContact O-CA 3.46Å; W31-I40 CarbonylContact C-O 3.59Å; W31-I40 WeakPolarHBondContact CA-O 3.42Å; W31-I40 HydrophobicContact CB-CG1 4.03Å; W31-I40 WeakPolarHBondContact CB-O 3.47Å; W31-I40 PolarHBondContact N-O 3.34Å; W31-I40 PolarHBondContact O-N 2.84Å; W31-L42 VanDerWaalsContact CD1-CA 3.48Å; W31-L42 HydrophobicContact CZ2-CD1 3.85Å; W31-L42 VanDerWaalsContact NE1-CD1 3.32Å; W31-V57 HydrophobicContact CE3-CB 4.42Å; W31-V57 HydrophobicContact CE3-CG2 4.34Å; W31-K58 WeakPolarHBondContact CA-O 3.29Å; W31-S59 VanDerWaalsContact CE3-N 3.27Å
32A98.5Very high98.3Very high0 Ų028.4 Ų28.40%016%0.163CC..EExtended strand (participates in β ladder)trans-138.6142.5171.600000111.3V38 F39 V57 K58 V60 W65 L73A32-V38 CarbonylContact C-O 3.59Å; A32-V38 WeakPolarHBondContact CA-O 3.38Å; A32-F39 HydrophobicContact CB-CD1 3.86Å; A32-F39 HydrophobicContact CB-CE1 4.03Å; A32-V57 VanDerWaalsContact O-CA 3.25Å; A32-V57 WeakPolarHBondContact O-CA 3.25Å; A32-K58 PolarHBondContact N-O 3.3Å; A32-K58 PolarHBondContact O-N 2.89Å; A32-V60 HydrophobicContact CB-CG2 3.96Å; A32-W65 HydrophobicContact CB-CH2 3.89Å; A32-W65 HydrophobicContact CB-CZ2 4.33Å; A32-L73 HydrophobicContact CB-CD1 4.07Å; A32-L73 HydrophobicContact CB-CD2 4.01Å
33S98.7Very high98.2Very high0 Ų030.9 Ų30.90%018%0.18CC..EExtended strand (participates in β ladder)trans-88109.6163.1178.80000108.9T35 L36 G37 V38 S55 K56S33-T35 PolarHBondContact O-N 2.81Å; S33-T35 PolarHBondContact OG-OG1 3.03Å; S33-L36 PolarHBondContact OG-N 3.18Å; S33-G37 WeakPolarHBondContact O-CA 3.32Å; S33-G37 PolarHBondContact O-N 3.02Å; S33-V38 PolarHBondContact N-O 2.88Å; S33-V38 PolarHBondContact O-N 3.44Å; S33-S55 WeakPolarHBondContact CB-OG 3.47Å; S33-S55 PolarHBondContact OG-OG 3.17Å; S33-K56 CarbonylContact C-O 3.58Å; S33-K56 VanDerWaalsContact CA-O 3.29Å; S33-K56 WeakPolarHBondContact CA-O 3.48Å; S33-K56 PolarHBondContact OG-O 3.05Å
34Y98Very high98.2Very high55 Ų5530.5 Ų30.522%0.21618%0.178CC..THydrogen-bonded Turntrans-83.24.6-177.465.2-95.7000113.5K56 K58 W65 Q69 F72Y34-K56 HydrophobicContact CD1-CB 4.32Å; Y34-K56 WeakPolarHBondContact CD1-O 3.48Å; Y34-K56 HydrophobicContact CE1-CB 3.54Å; Y34-K56 WeakPolarHBondContact CE1-O 3.47Å; Y34-K56 HydrophobicContact CE2-CB 3.87Å; Y34-K56 HydrophobicContact CE2-CD 4.14Å; Y34-K56 PolarHBondContact N-O 2.99Å; Y34-K56 VanDerWaalsContact OH-CB 3.29Å; Y34-K56 WeakPolarHBondContact OH-CB 3.44Å; Y34-K56 WeakPolarHBondContact OH-CD 3.19Å; Y34-K58 HydrophobicContact CD1-CB 4.42Å; Y34-K58 HydrophobicContact CD1-CD 4.07Å; Y34-K58 HydrophobicContact CD1-CG 4Å; Y34-K58 HydrophobicContact CE1-CD 4Å; Y34-K58 HydrophobicContact CE1-CG 3.81Å; Y34-W65 HydrophobicContact CG-CZ3 4.44Å; Y34-Q69 HydrophobicContact CD2-CG 3.98Å; Y34-Q69 HydrophobicContact CG-CG 4.26Å; Y34-F72 WeakPolarHBondContact O-CD1 3.39Å; Y34-F72 WeakPolarHBondContact O-CE1 3.49Å
35T98.4Very high98.2Very high55 Ų5530 Ų3034%0.33717%0.174SC..THydrogen-bonded Turntrans-108.2-30.4174.638.20000111.4S33 S55 K56 F72S33-T35 PolarHBondContact O-N 2.81Å; S33-T35 PolarHBondContact OG-OG1 3.03Å; T35-S55 WeakPolarHBondContact OG1-CA 3.49Å; T35-K56 HydrophobicContact CG2-CB 3.98Å; T35-K56 HydrophobicContact CG2-CD 4.02Å; T35-K56 HydrophobicContact CG2-CG 3.97Å; T35-K56 PolarHBondContact OG1-N 3.36Å; T35-F72 WeakPolarHBondContact O-CZ 3.44Å
36L98.7Very high98.2Very high15 Ų1530.2 Ų30.28%0.07918%0.176CC..THydrogen-bonded Turntrans-97.5-18.2175.4-65.5173000113.6S33 V38 V54 F85 Y113S33-L36 PolarHBondContact OG-N 3.18Å; L36-V38 HydrophobicContact CB-CG2 4.07Å; L36-V54 HydrophobicContact CD2-CG1 4.07Å; L36-F85 HydrophobicContact CD2-CZ 3.99Å; L36-Y113 HydrophobicContact CD1-CD1 3.92Å; L36-Y113 HydrophobicContact CD1-CD2 3.96Å; L36-Y113 HydrophobicContact CD1-CE1 4.46Å; L36-Y113 HydrophobicContact CD1-CE2 4.49Å; L36-Y113 HydrophobicContact CD1-CG 3.64Å; L36-Y113 HydrophobicContact CD2-CD1 4.22Å; L36-Y113 HydrophobicContact CD2-CG 4.41Å
37G98.4Very high98.3Very high0 Ų030 Ų300%017%0.173CC..THydrogen-bonded Turntrans79.131.1177.900000113.4S33 G77S33-G37 WeakPolarHBondContact O-CA 3.32Å; S33-G37 PolarHBondContact O-N 3.02Å; G37-G77 CarbonylContact O-C 3.59Å; G37-G77 WeakPolarHBondContact O-CA 3.48Å; G37-G77 PolarHBondContact O-N 2.82Å
38V98.8Very high98.3Very high0 Ų026.1 Ų26.10%015%0.148CC..EExtended strand (participates in β ladder)trans-120.9146-175.4-670000113A22 A32 S33 L36 I40 N78 A81A22-V38 HydrophobicContact CB-CB 3.9Å; A22-V38 HydrophobicContact CB-CG1 4.09Å; A32-V38 CarbonylContact C-O 3.59Å; A32-V38 WeakPolarHBondContact CA-O 3.38Å; S33-V38 PolarHBondContact N-O 2.88Å; S33-V38 PolarHBondContact O-N 3.44Å; L36-V38 HydrophobicContact CB-CG2 4.07Å; V38-I40 HydrophobicContact CB-CG2 4.39Å; V38-I40 HydrophobicContact CG2-CG2 4Å; V38-N78 WeakPolarHBondContact CA-OD1 3.36Å; V38-A81 HydrophobicContact CG1-CB 3.27Å
39F98.8Very high98.4Very high0 Ų025.2 Ų25.20%014%0.135CC..EExtended strand (participates in β ladder)trans-99125.6170.3-63.8-87.1000110.3V9 L12 L13 N18 A22 P29 W31 A32 V60 L73 N78V9-F39 HydrophobicContact CG1-CE1 4.24Å; L12-F39 HydrophobicContact CB-CE1 4.28Å; L12-F39 HydrophobicContact CB-CE2 4.2Å; L12-F39 HydrophobicContact CB-CZ 3.52Å; L12-F39 HydrophobicContact CD1-CZ 3.98Å; L12-F39 HydrophobicContact CG-CZ 4.41Å; L13-F39 HydrophobicContact CD2-CB 4.18Å; L13-F39 HydrophobicContact CD2-CD1 3.32Å; L13-F39 HydrophobicContact CD2-CE1 3.88Å; L13-F39 HydrophobicContact CD2-CG 3.9Å; L13-F39 HydrophobicContact CG-CD1 4.21Å; L13-F39 HydrophobicContact CG-CE1 4.3Å; N18-F39 HydrophobicContact CB-CD2 3.88Å; N18-F39 HydrophobicContact CB-CE2 4.42Å; N18-F39 HydrophobicContact CB-CG 4.3Å; N18-F39 VanDerWaalsContact ND2-CE2 3.33Å; N18-F39 WeakPolarHBondContact ND2-CE2 3.36Å; N18-F39 WeakPolarHBondContact OD1-CD2 3.42Å; A22-F39 PolarHBondContact N-O 3.41Å; P29-F39 HydrophobicContact CB-CB 4.23Å; P29-F39 HydrophobicContact CG-CB 3.96Å; W31-F39 WeakPolarHBondContact O-CA 3.46Å; A32-F39 HydrophobicContact CB-CD1 3.86Å; A32-F39 HydrophobicContact CB-CE1 4.03Å; F39-V60 HydrophobicContact CD1-CG2 4.1Å; F39-V60 HydrophobicContact CE1-CG2 4.12Å; F39-L73 HydrophobicContact CE1-CD1 4.49Å; F39-L73 HydrophobicContact CE2-CD2 4.39Å; F39-L73 HydrophobicContact CZ-CB 4.22Å; F39-L73 HydrophobicContact CZ-CD1 4.31Å; F39-L73 HydrophobicContact CZ-CD2 4.24Å; F39-N78 PolarHBondContact N-OD1 3.09Å; F39-N78 PolarHBondContact O-ND2 2.91Å; F39-N78 PolarHBondContact O-OD1 3.24Å
40I98.9Very high98.4Very high0 Ų029.8 Ų29.80%016%0.16CC..EExtended strand (participates in β ladder)trans-137.4156.9-169.557.9179.1000110.6A22 D23 P29 D30 W31 V38 C44 H48 V57A22-I40 HydrophobicContact CB-CG2 4.02Å; D23-I40 VanDerWaalsContact OD2-CG2 3.25Å; D23-I40 WeakPolarHBondContact OD2-CG2 3.4Å; P29-I40 VanDerWaalsContact CB-O 3.3Å; P29-I40 WeakPolarHBondContact CB-O 3.36Å; D30-I40 PolarHBondContact N-O 2.9Å; W31-I40 CarbonylContact C-O 3.59Å; W31-I40 WeakPolarHBondContact CA-O 3.42Å; W31-I40 HydrophobicContact CB-CG1 4.03Å; W31-I40 WeakPolarHBondContact CB-O 3.47Å; W31-I40 PolarHBondContact N-O 3.34Å; W31-I40 PolarHBondContact O-N 2.84Å; V38-I40 HydrophobicContact CB-CG2 4.39Å; V38-I40 HydrophobicContact CG2-CG2 4Å; I40-C44 HydrophobicContact CB-CB 4.12Å; I40-H48 HydrophobicContact CD1-CB 4.21Å; I40-V57 HydrophobicContact CD1-CG1 4.04Å
41C98.6Very high98.5Very high16 Ų1627.7 Ų27.711%0.10815%0.148CC..  trans-76.6165.6175.970.30000111.7C21 A26 S43 C44 S45C21-C41 HydrophobicContact CB-CB 4.11Å; C21-C41 PolarHBondContact SG-N 2.73Å; A26-C41 HydrophobicContact CB-CB 4.12Å; C41-S43 VanDerWaalsContact C-N 3.27Å; C41-S43 PolarHBondContact O-N 3.46Å; C41-C44 PolarHBondContact O-N 3Å; C41-S45 PolarHBondContact O-N 2.75Å
42L98.2Very high98.5Very high99 Ų9930 Ų3052%0.51817%0.167SC..Hα-helixtrans-48.5-45.6174.5177.161.7000113.3D30 W31 S45 G46D30-L42 PolarHBondContact OD1-N 2.97Å; W31-L42 VanDerWaalsContact CD1-CA 3.48Å; W31-L42 HydrophobicContact CZ2-CD1 3.85Å; W31-L42 VanDerWaalsContact NE1-CD1 3.32Å; L42-S45 PolarHBondContact O-N 3.06Å; L42-S45 PolarHBondContact O-OG 2.97Å; L42-G46 PolarHBondContact O-N 2.64Å; L42-G46 VanDerWaalsContact O-N 3.16Å
43S98.3Very high98.4Very high62 Ų6236.3 Ų36.343%0.43420%0.197SC..Hα-helixtrans-63.4-46.4-178.6-170.80000112.5C41 S45 G46 I47 R105C41-S43 VanDerWaalsContact C-N 3.27Å; C41-S43 PolarHBondContact O-N 3.46Å; S43-S45 VanDerWaalsContact C-N 3.33Å; S43-S45 PolarHBondContact O-N 3.38Å; S43-G46 PolarHBondContact O-N 2.81Å; S43-G46 VanDerWaalsContact O-N 3.16Å; S43-I47 PolarHBondContact O-N 2.83Å; S43-R105 PolarHBondContact OG-NH1 2.9Å
44C98.8Very high98.4Very high0 Ų038.2 Ų38.20%021%0.208CC..Hα-helixtrans-67.3-34.4176.8-71.20000111.6D23 C24 I40 C41 G46 I47 H48 I109D23-C44 HydrophobicContact CB-CB 4.47Å; C24-C44 VanDerWaalsContact SG-SG 3.62Å; I40-C44 HydrophobicContact CB-CB 4.12Å; C41-C44 PolarHBondContact O-N 3Å; C44-G46 PolarHBondContact O-N 3.21Å; C44-I47 PolarHBondContact O-N 2.74Å; C44-H48 PolarHBondContact O-CD2 3.3Å; C44-H48 VanDerWaalsContact O-CD2 3.29Å; C44-H48 PolarHBondContact O-N 2.76Å; C44-I109 HydrophobicContact CB-CD1 4.16Å
45S98.7Very high98.5Very high0 Ų035.7 Ų35.70%020%0.199CC..Hα-helixtrans-59.3-33.8173.184.90000112.2C41 L42 S43 H48 R49C41-S45 PolarHBondContact O-N 2.75Å; L42-S45 PolarHBondContact O-N 3.06Å; L42-S45 PolarHBondContact O-OG 2.97Å; S43-S45 VanDerWaalsContact C-N 3.33Å; S43-S45 PolarHBondContact O-N 3.38Å; S45-H48 PolarHBondContact O-N 2.93Å; S45-R49 WeakPolarHBondContact O-CG 3.39Å; S45-R49 PolarHBondContact O-N 3.41Å; S45-R49 VanDerWaalsContact O-N 3.14Å; S45-R49 PolarHBondContact O-NH1 2.78Å; S45-R49 PolarHBondContact OG-NH1 3.32Å
46G98.4Very high98.5Very high30 Ų3038.5 Ų38.531%0.30921%0.206SC..Hα-helixtrans-59.1-45.4172.500000112.3L42 S43 C44 R49L42-G46 PolarHBondContact O-N 2.64Å; L42-G46 VanDerWaalsContact O-N 3.16Å; S43-G46 PolarHBondContact O-N 2.81Å; S43-G46 VanDerWaalsContact O-N 3.16Å; C44-G46 PolarHBondContact O-N 3.21Å; G46-R49 PolarHBondContact O-N 3.01Å
47I98.7Very high98.5Very high9 Ų938.9 Ų38.95%0.04621%0.209CC..Hα-helixtrans-67.2-42.6177.5-59.1171.3000110.8S43 C44 R49 N50 R105 E106 I109S43-I47 PolarHBondContact O-N 2.83Å; C44-I47 PolarHBondContact O-N 2.74Å; I47-R49 PolarHBondContact O-N 2.78Å; I47-N50 WeakPolarHBondContact O-CB 3.4Å; I47-N50 PolarHBondContact O-N 3.17Å; I47-R105 HydrophobicContact CD1-CB 3.97Å; I47-E106 HydrophobicContact CD1-CB 4.45Å; I47-E106 HydrophobicContact CG2-CB 4.05Å; I47-E106 HydrophobicContact CG2-CG 4Å; I47-I109 HydrophobicContact CB-CD1 3.81Å; I47-I109 HydrophobicContact CD1-CD1 3.85Å; I47-I109 HydrophobicContact CG1-CD1 4.42Å; I47-I109 HydrophobicContact CG2-CB 4.22Å; I47-I109 HydrophobicContact CG2-CD1 3.71Å; I47-I109 HydrophobicContact CG2-CG2 4.1Å
48H98.8Very high98.4Very high0 Ų040.9 Ų40.90%022%0.218CC..Hα-helixtrans-60.1-30.6177.8-87.2-106.1000113.2D23 I40 C44 S45 N50 I51 S55 V57 Y113D23-H48 IonicContact OD2-CD2 2.63Å; D23-H48 IonicContact OD2-NE2 3.09Å; D23-H48 PolarHBondContact OD2-NE2 3.08Å; I40-H48 HydrophobicContact CD1-CB 4.21Å; C44-H48 PolarHBondContact O-CD2 3.3Å; C44-H48 VanDerWaalsContact O-CD2 3.29Å; C44-H48 PolarHBondContact O-N 2.76Å; S45-H48 PolarHBondContact O-N 2.93Å; H48-N50 PolarHBondContact O-N 3.4Å; H48-I51 VanDerWaalsContact O-CG1 3.28Å; H48-I51 WeakPolarHBondContact O-CG1 3.43Å; H48-I51 PolarHBondContact O-N 2.84Å; H48-S55 WeakPolarHBondContact ND1-CB 3.42Å; H48-S55 PolarHBondContact ND1-OG 3.04Å; H48-V57 HydrophobicContact CB-CG1 3.61Å; H48-Y113 AromaticContact CE1-CD2 3.64Å; H48-Y113 AromaticContact CE1-CE2 3.51Å; H48-Y113 AromaticContact NE2-CD2 3.97Å; H48-Y113 AromaticContact NE2-CE2 3.59Å
49R98.5Very high98.3Very high109 Ų10941 Ų4141%0.41122%0.219SC..THydrogen-bonded Turntrans-64.7-21.8173.5-71.1178.2-17388.9-8.6113S45 G46 I47 I51 V57S45-R49 WeakPolarHBondContact O-CG 3.39Å; S45-R49 PolarHBondContact O-N 3.41Å; S45-R49 VanDerWaalsContact O-N 3.14Å; S45-R49 PolarHBondContact O-NH1 2.78Å; S45-R49 PolarHBondContact OG-NH1 3.32Å; G46-R49 PolarHBondContact O-N 3.01Å; I47-R49 PolarHBondContact O-N 2.78Å; R49-I51 VanDerWaalsContact C-N 3.28Å; R49-I51 PolarHBondContact O-N 2.91Å; R49-V57 HydrophobicContact CG-CG2 3.66Å
50N97.8Very high98.1Very high98 Ų9841 Ų4152%0.52422%0.219SC..THydrogen-bonded Turntrans-86.55.8178.5-62.4-13.4000113.4I47 H48 P52I47-N50 WeakPolarHBondContact O-CB 3.4Å; I47-N50 PolarHBondContact O-N 3.17Å; H48-N50 PolarHBondContact O-N 3.4Å; N50-P52 VanDerWaalsContact C-CD 3.44Å
51I98.1Very high97.7Very high2 Ų247.5 Ų47.51%0.0124%0.243CC..  trans-129.556.1169.250.6170.6000110.6H48 R49 Q53 V54 S55 I109 R110 E114H48-I51 VanDerWaalsContact O-CG1 3.28Å; H48-I51 WeakPolarHBondContact O-CG1 3.43Å; H48-I51 PolarHBondContact O-N 2.84Å; R49-I51 VanDerWaalsContact C-N 3.28Å; R49-I51 PolarHBondContact O-N 2.91Å; I51-Q53 VanDerWaalsContact C-OE1 3.28Å; I51-Q53 PolarHBondContact O-N 2.91Å; I51-Q53 VanDerWaalsContact O-N 3.12Å; I51-V54 HydrophobicContact CB-CB 4.4Å; I51-V54 HydrophobicContact CD1-CB 4.36Å; I51-V54 PolarHBondContact O-N 3.49Å; I51-S55 PolarHBondContact O-N 2.88Å; I51-I109 HydrophobicContact CD1-CG2 3.95Å; I51-R110 HydrophobicContact CG2-CG 4.38Å; I51-E114 WeakPolarHBondContact CG2-OE1 3.37Å
52P97.9Very high97.4Very high79 Ų7952.9 Ų52.951%0.51327%0.27SS..THydrogen-bonded Turntrans-63.9-22.1-168.328.5-37.3000114.4N50 V54N50-P52 VanDerWaalsContact C-CD 3.44Å; P52-V54 VanDerWaalsContact C-N 3.28Å
53Q97.8Very high97.2Very high134 Ų13451.2 Ų51.263%0.62626%0.262SS*.THydrogen-bonded Turntrans-72-21.4174.173.5-73.5400113.1I51 E114I51-Q53 VanDerWaalsContact C-OE1 3.28Å; I51-Q53 PolarHBondContact O-N 2.91Å; I51-Q53 VanDerWaalsContact O-N 3.12Å; Q53-E114 PolarHBondContact NE2-OE1 3.47Å; Q53-E114 VanDerWaalsContact NE2-OE1 3.16Å
54V98.3Very high97Very high39 Ų3951.7 Ų51.724%0.23627%0.269CS..THydrogen-bonded Turntrans-107-43.6-179.1-178.30000111.4L36 I51 P52 E114L36-V54 HydrophobicContact CD2-CG1 4.07Å; I51-V54 HydrophobicContact CB-CB 4.4Å; I51-V54 HydrophobicContact CD1-CB 4.36Å; I51-V54 PolarHBondContact O-N 3.49Å; P52-V54 VanDerWaalsContact C-N 3.28Å; V54-E114 HydrophobicContact CG2-CB 4.27Å; V54-E114 HydrophobicContact CG2-CG 4.33Å
55S98.7Very high96.8Very high3 Ų352.2 Ų52.22%0.02127%0.271CS..  trans-129.5128.1-170.8-177.30000112.6S33 T35 H48 I51S33-S55 WeakPolarHBondContact CB-OG 3.47Å; S33-S55 PolarHBondContact OG-OG 3.17Å; T35-S55 WeakPolarHBondContact OG1-CA 3.49Å; H48-S55 WeakPolarHBondContact ND1-CB 3.42Å; H48-S55 PolarHBondContact ND1-OG 3.04Å; I51-S55 PolarHBondContact O-N 2.88Å
56K98.6Very high96.6Very high113 Ų11355.5 Ų55.549%0.49129%0.289SS..  trans-116.2128.3168.9-55.1-179-176.1178.60109.6S33 Y34 T35S33-K56 CarbonylContact C-O 3.58Å; S33-K56 VanDerWaalsContact CA-O 3.29Å; S33-K56 WeakPolarHBondContact CA-O 3.48Å; S33-K56 PolarHBondContact OG-O 3.05Å; Y34-K56 HydrophobicContact CD1-CB 4.32Å; Y34-K56 WeakPolarHBondContact CD1-O 3.48Å; Y34-K56 HydrophobicContact CE1-CB 3.54Å; Y34-K56 WeakPolarHBondContact CE1-O 3.47Å; Y34-K56 HydrophobicContact CE2-CB 3.87Å; Y34-K56 HydrophobicContact CE2-CD 4.14Å; Y34-K56 PolarHBondContact N-O 2.99Å; Y34-K56 VanDerWaalsContact OH-CB 3.29Å; Y34-K56 WeakPolarHBondContact OH-CB 3.44Å; Y34-K56 WeakPolarHBondContact OH-CD 3.19Å; T35-K56 HydrophobicContact CG2-CB 3.98Å; T35-K56 HydrophobicContact CG2-CD 4.02Å; T35-K56 HydrophobicContact CG2-CG 3.97Å; T35-K56 PolarHBondContact OG1-N 3.36Å
57V98.4Very high96.5Very high23 Ų2359.9 Ų59.914%0.13930%0.301CS..EExtended strand (participates in β ladder)trans-118.7149.3-172.1-610000112.5W31 A32 I40 H48 R49W31-V57 HydrophobicContact CE3-CB 4.42Å; W31-V57 HydrophobicContact CE3-CG2 4.34Å; A32-V57 VanDerWaalsContact O-CA 3.25Å; A32-V57 WeakPolarHBondContact O-CA 3.25Å; I40-V57 HydrophobicContact CD1-CG1 4.04Å; H48-V57 HydrophobicContact CB-CG1 3.61Å; R49-V57 HydrophobicContact CG-CG2 3.66Å
58K97.6Very high96.3Very high43 Ų4362.6 Ų62.619%0.18733%0.325CS..EExtended strand (participates in β ladder)trans-139.4151.7172.2-76.7177.4-178-1760109.9W31 A32 Y34 D63 A64 W65W31-K58 WeakPolarHBondContact CA-O 3.29Å; A32-K58 PolarHBondContact N-O 3.3Å; A32-K58 PolarHBondContact O-N 2.89Å; Y34-K58 HydrophobicContact CD1-CB 4.42Å; Y34-K58 HydrophobicContact CD1-CD 4.07Å; Y34-K58 HydrophobicContact CD1-CG 4Å; Y34-K58 HydrophobicContact CE1-CD 4Å; Y34-K58 HydrophobicContact CE1-CG 3.81Å; K58-D63 WeakPolarHBondContact CA-OD2 3.41Å; K58-D63 HydrophobicContact CB-CB 4.04Å; K58-D63 HydrophobicContact CD-CB 4.39Å; K58-D63 HydrophobicContact CG-CB 4.25Å; K58-A64 PolarHBondContact NZ-O 3.44Å; K58-W65 HydrophobicContact CB-CH2 3.84Å; K58-W65 HydrophobicContact CB-CZ2 3.49Å; K58-W65 VanDerWaalsContact CB-CZ2 3.49Å; K58-W65 HydrophobicContact CD-CH2 4.44Å; K58-W65 HydrophobicContact CD-CZ2 4.4Å
59S97.1Very high96.3Very high2 Ų263.8 Ų63.81%0.01433%0.331CS..EExtended strand (participates in β ladder)trans-68.6129.8167.9177.20000109.1W31 R61 L62 D63 W65W31-S59 VanDerWaalsContact CE3-N 3.27Å; S59-R61 PolarHBondContact O-N 2.8Å; S59-R61 PolarHBondContact OG-N 2.83Å; S59-L62 WeakPolarHBondContact OG-CG 3.36Å; S59-L62 PolarHBondContact OG-N 2.72Å; S59-L62 VanDerWaalsContact OG-N 3.12Å; S59-D63 WeakPolarHBondContact CB-OD2 3.41Å; S59-D63 PolarHBondContact N-OD2 3.46Å; S59-D63 PolarHBondContact O-N 2.61Å; S59-W65 PolarHBondContact O-NE1 3.36Å; S59-W65 VanDerWaalsContact O-NE1 3.15Å
60V94.4Very high96.2Very high0 Ų059.4 Ų59.40%032%0.316CS..THydrogen-bonded Turntrans-64.6-33.9174.9169.80000110.6V9 L10 L13 D30 A32 F39V9-V60 HydrophobicContact CB-CG1 4.32Å; V9-V60 HydrophobicContact CG1-CB 4.32Å; V9-V60 HydrophobicContact CG1-CG1 3.72Å; V9-V60 HydrophobicContact CG1-CG2 4.07Å; L10-V60 HydrophobicContact CD2-CG1 3.87Å; L10-V60 HydrophobicContact CG-CG1 4.38Å; L13-V60 HydrophobicContact CD1-CB 4.22Å; L13-V60 HydrophobicContact CD1-CG1 3.56Å; L13-V60 HydrophobicContact CG-CG1 4.11Å; D30-V60 PolarHBondContact O-N 2.88Å; A32-V60 HydrophobicContact CB-CG2 3.96Å; F39-V60 HydrophobicContact CD1-CG2 4.1Å; F39-V60 HydrophobicContact CE1-CG2 4.12Å
61R90.6Very high96.1Very high136 Ų13660.4 Ų60.451%0.51332%0.318SS..THydrogen-bonded Turntrans-91.6-33.9-173.2-61.5-176.1-176.6-80.5-1.5113.6R6 L10 S59R6-R61 WeakPolarHBondContact CD-O 3.22Å; R6-R61 PolarHBondContact NH1-O 3.49Å; L10-R61 HydrophobicContact CD2-CG 4.03Å; S59-R61 PolarHBondContact O-N 2.8Å; S59-R61 PolarHBondContact OG-N 2.83Å
62L92.6Very high96.1Very high130 Ų13063.3 Ų63.368%0.68133%0.33SS*.THydrogen-bonded Turntrans-102.7-35.6-167-56.1176.7000113.2R6 S59R6-L62 PolarHBondContact NH1-O 3.02Å; R6-L62 PolarHBondContact NH2-O 2.99Å; S59-L62 WeakPolarHBondContact OG-CG 3.36Å; S59-L62 PolarHBondContact OG-N 2.72Å; S59-L62 VanDerWaalsContact OG-N 3.12Å
63D93.8Very high96.1Very high63 Ų6359.6 Ų59.634%0.33731%0.306SS..SBendtrans-88.2167.1-170.4-66.7-37.8000113.7R6 K58 S59R6-D63 PolarHBondContact NH2-O 3.2Å; K58-D63 WeakPolarHBondContact CA-OD2 3.41Å; K58-D63 HydrophobicContact CB-CB 4.04Å; K58-D63 HydrophobicContact CD-CB 4.39Å; K58-D63 HydrophobicContact CG-CB 4.25Å; S59-D63 WeakPolarHBondContact CB-OD2 3.41Å; S59-D63 PolarHBondContact N-OD2 3.46Å; S59-D63 PolarHBondContact O-N 2.61Å
64A93.1Very high96.1Very high72 Ų7254.6 Ų54.660%0.59529%0.288SS*.  trans-87.9137.6173.200000111.4K58K58-A64 PolarHBondContact NZ-O 3.44Å
65W95.3Very high96Very high11 Ų1156.8 Ų56.84%0.04231%0.305CS..  trans-119131.8-178.4-67.888000109.9R5 V9 A32 Y34 K58 S59 Q69 V70 L73R5-W65 WeakPolarHBondContact CD-O 3.33Å; R5-W65 PolarHBondContact NE-O 3.33Å; V9-W65 HydrophobicContact CG1-CD2 4.48Å; V9-W65 HydrophobicContact CG1-CZ2 4.42Å; V9-W65 HydrophobicContact CG2-CB 4.13Å; V9-W65 HydrophobicContact CG2-CD2 3.92Å; V9-W65 HydrophobicContact CG2-CE3 4.28Å; V9-W65 HydrophobicContact CG2-CG 3.82Å; A32-W65 HydrophobicContact CB-CH2 3.89Å; A32-W65 HydrophobicContact CB-CZ2 4.33Å; Y34-W65 HydrophobicContact CG-CZ3 4.44Å; K58-W65 HydrophobicContact CB-CH2 3.84Å; K58-W65 HydrophobicContact CB-CZ2 3.49Å; K58-W65 VanDerWaalsContact CB-CZ2 3.49Å; K58-W65 HydrophobicContact CD-CH2 4.44Å; K58-W65 HydrophobicContact CD-CZ2 4.4Å; S59-W65 PolarHBondContact O-NE1 3.36Å; S59-W65 VanDerWaalsContact O-NE1 3.15Å; W65-Q69 HydrophobicContact CE3-CB 3.73Å; W65-Q69 HydrophobicContact CZ3-CB 4.06Å; W65-V70 HydrophobicContact CB-CG2 4.07Å; W65-L73 HydrophobicContact CE3-CD1 4.03Å; W65-L73 HydrophobicContact CH2-CD1 3.61Å; W65-L73 HydrophobicContact CZ3-CD1 3.31Å; W65-L73 HydrophobicContact CZ3-CG 4.38Å
66D94.8Very high95.9Very high69 Ų6960.3 Ų60.337%0.36932%0.321SS..  trans-88.8163168.262.252.6000110.6A68 Q69 V70D66-A68 PolarHBondContact OD1-N 3.14Å; D66-Q69 PolarHBondContact O-N 2.93Å; D66-Q69 VanDerWaalsContact OD1-CB 3.28Å; D66-Q69 WeakPolarHBondContact OD1-CB 3.38Å; D66-Q69 VanDerWaalsContact OD1-CD 3.3Å; D66-Q69 WeakPolarHBondContact OD1-CG 2.96Å; D66-Q69 PolarHBondContact OD1-N 2.93Å; D66-Q69 PolarHBondContact OD2-NE2 3.19Å; D66-Q69 PolarHBondContact OD2-OE1 3.01Å; D66-V70 WeakPolarHBondContact O-CG2 3.47Å; D66-V70 PolarHBondContact O-N 3.13Å
67E94.9Very high95.9Very high123 Ų12355.1 Ų55.158%0.57530%0.299SS*.Hα-helixtrans-62.8-44.8-172.6-172.8162.5-152.700112.5Q69 V70 E71E67-Q69 VanDerWaalsContact C-N 3.3Å; E67-Q69 PolarHBondContact O-N 3.41Å; E67-V70 WeakPolarHBondContact O-CB 3.39Å; E67-V70 PolarHBondContact O-N 3.08Å; E67-E71 WeakPolarHBondContact O-CG 3.44Å; E67-E71 PolarHBondContact O-N 3.08Å
68A96.3Very high95.9Very high66 Ų6654 Ų5455%0.54529%0.292SS..Hα-helixtrans-59.6-38.3177.200000112.5D66 F72D66-A68 PolarHBondContact OD1-N 3.14Å; A68-F72 VanDerWaalsContact O-CB 3.24Å; A68-F72 WeakPolarHBondContact O-CB 3.47Å; A68-F72 PolarHBondContact O-N 3.47Å
69Q97.3Very high95.9Very high24 Ų2456.6 Ų56.611%0.11231%0.308CS..Hα-helixtrans-65.8-40.2174.1-73.81618.300112.3Y34 W65 D66 E67 L73Y34-Q69 HydrophobicContact CD2-CG 3.98Å; Y34-Q69 HydrophobicContact CG-CG 4.26Å; W65-Q69 HydrophobicContact CE3-CB 3.73Å; W65-Q69 HydrophobicContact CZ3-CB 4.06Å; D66-Q69 PolarHBondContact O-N 2.93Å; D66-Q69 VanDerWaalsContact OD1-CB 3.28Å; D66-Q69 WeakPolarHBondContact OD1-CB 3.38Å; D66-Q69 VanDerWaalsContact OD1-CD 3.3Å; D66-Q69 WeakPolarHBondContact OD1-CG 2.96Å; D66-Q69 PolarHBondContact OD1-N 2.93Å; D66-Q69 PolarHBondContact OD2-NE2 3.19Å; D66-Q69 PolarHBondContact OD2-OE1 3.01Å; E67-Q69 VanDerWaalsContact C-N 3.3Å; E67-Q69 PolarHBondContact O-N 3.41Å; Q69-L73 WeakPolarHBondContact O-CG 3.24Å; Q69-L73 PolarHBondContact O-N 3.3Å
70V96.3Very high96Very high18 Ų1858.5 Ų58.511%0.10932%0.324CS..Hα-helixtrans-64.6-47.7177.1-178.20000110.2R5 A8 V9 W65 D66 E67 F72 L73 A74R5-V70 HydrophobicContact CB-CG2 4.36Å; A8-V70 HydrophobicContact CB-CG1 3.85Å; V9-V70 HydrophobicContact CG2-CB 4.32Å; V9-V70 HydrophobicContact CG2-CG1 4.18Å; V9-V70 HydrophobicContact CG2-CG2 3.52Å; W65-V70 HydrophobicContact CB-CG2 4.07Å; D66-V70 WeakPolarHBondContact O-CG2 3.47Å; D66-V70 PolarHBondContact O-N 3.13Å; E67-V70 WeakPolarHBondContact O-CB 3.39Å; E67-V70 PolarHBondContact O-N 3.08Å; V70-F72 VanDerWaalsContact C-N 3.34Å; V70-F72 PolarHBondContact O-N 3.29Å; V70-L73 PolarHBondContact O-N 3.2Å; V70-A74 VanDerWaalsContact O-CB 3.3Å; V70-A74 WeakPolarHBondContact O-CB 3.24Å; V70-A74 PolarHBondContact O-N 3.22Å
71E96.9Very high96.2Very high118 Ų11858.8 Ų58.855%0.55133%0.327SS*.Hα-helixtrans-62.2-40.5177.8-70.7177.6171.800112.2E67 A74 S75E67-E71 WeakPolarHBondContact O-CG 3.44Å; E67-E71 PolarHBondContact O-N 3.08Å; E71-A74 PolarHBondContact O-N 3.18Å; E71-S75 WeakPolarHBondContact O-CB 3.21Å; E71-S75 PolarHBondContact O-N 3.12Å; E71-S75 PolarHBondContact O-OG 2.66Å
72F98.2Very high96.6Very high64 Ų6456.5 Ų56.528%0.28132%0.318SS..Hα-helixtrans-61.8-47.2175.5-177.3-99.8000111.4Y34 T35 A68 V70 A74 S75 H76Y34-F72 WeakPolarHBondContact O-CD1 3.39Å; Y34-F72 WeakPolarHBondContact O-CE1 3.49Å; T35-F72 WeakPolarHBondContact O-CZ 3.44Å; A68-F72 VanDerWaalsContact O-CB 3.24Å; A68-F72 WeakPolarHBondContact O-CB 3.47Å; A68-F72 PolarHBondContact O-N 3.47Å; V70-F72 VanDerWaalsContact C-N 3.34Å; V70-F72 PolarHBondContact O-N 3.29Å; F72-A74 VanDerWaalsContact C-N 3.3Å; F72-A74 PolarHBondContact O-N 3.1Å; F72-S75 WeakPolarHBondContact CA-OG 3.49Å; F72-S75 PolarHBondContact O-N 3.3Å; F72-S75 PolarHBondContact O-OG 2.82Å; F72-H76 AromaticContact CD2-CE1 3.55Å; F72-H76 AromaticContact CD2-ND1 3.72Å; F72-H76 AromaticContact CE2-CE1 3.17Å; F72-H76 WeakPolarHBondContact CE2-CE1 3.36Å; F72-H76 AromaticContact CE2-ND1 3.64Å; F72-H76 AromaticContact CE2-NE2 3.62Å; F72-H76 AromaticContact CZ-CE1 3.71Å; F72-H76 AromaticContact CZ-ND1 3.95Å; F72-H76 AromaticContact CZ-NE2 3.8Å; F72-H76 WeakPolarHBondContact O-CB 3.17Å; F72-H76 PolarHBondContact O-N 3.07Å; F72-H76 PolarHBondContact O-ND1 3Å
73L97.7Very high96.8Very high0 Ų053.9 Ų53.90%032%0.315CS..Hα-helixtrans-63.6-35.9174.8-74.1172.9000112.6V9 L12 A32 F39 W65 Q69 V70 H76V9-L73 HydrophobicContact CG1-CD1 4.08Å; L12-L73 HydrophobicContact CD1-CB 3.61Å; A32-L73 HydrophobicContact CB-CD1 4.07Å; A32-L73 HydrophobicContact CB-CD2 4.01Å; F39-L73 HydrophobicContact CE1-CD1 4.49Å; F39-L73 HydrophobicContact CE2-CD2 4.39Å; F39-L73 HydrophobicContact CZ-CB 4.22Å; F39-L73 HydrophobicContact CZ-CD1 4.31Å; F39-L73 HydrophobicContact CZ-CD2 4.24Å; W65-L73 HydrophobicContact CE3-CD1 4.03Å; W65-L73 HydrophobicContact CH2-CD1 3.61Å; W65-L73 HydrophobicContact CZ3-CD1 3.31Å; W65-L73 HydrophobicContact CZ3-CG 4.38Å; Q69-L73 WeakPolarHBondContact O-CG 3.24Å; Q69-L73 PolarHBondContact O-N 3.3Å; V70-L73 PolarHBondContact O-N 3.2Å; L73-H76 CarbonylContact O-C 3.56Å; L73-H76 PolarHBondContact O-N 2.88Å
74A96.4Very high97.1Very high29 Ų2958.1 Ų58.124%0.2433%0.326CS..Hα-helixtrans-72.1-34.1-179.700000113.2L12 R15 V70 E71 F72L12-A74 HydrophobicContact CD1-CB 4.13Å; L12-A74 HydrophobicContact CD2-CB 3.77Å; R15-A74 PolarHBondContact NH1-O 2.85Å; V70-A74 VanDerWaalsContact O-CB 3.3Å; V70-A74 WeakPolarHBondContact O-CB 3.24Å; V70-A74 PolarHBondContact O-N 3.22Å; E71-A74 PolarHBondContact O-N 3.18Å; F72-A74 VanDerWaalsContact C-N 3.3Å; F72-A74 PolarHBondContact O-N 3.1Å
75S96.8Very high97.3Very high85 Ų8555.3 Ų55.359%0.59430%0.301SS*.Hα-helixtrans-80.8-17.9174.554.50000113.1E71 F72E71-S75 WeakPolarHBondContact O-CB 3.21Å; E71-S75 PolarHBondContact O-N 3.12Å; E71-S75 PolarHBondContact O-OG 2.66Å; F72-S75 WeakPolarHBondContact CA-OG 3.49Å; F72-S75 PolarHBondContact O-N 3.3Å; F72-S75 PolarHBondContact O-OG 2.82Å
76H97.8Very high97.5Very high78 Ų7856.1 Ų56.136%0.36131%0.305SS..SBendtrans-105.6-130.3172.5-64.569.6000110.2F72 L73F72-H76 AromaticContact CD2-CE1 3.55Å; F72-H76 AromaticContact CD2-ND1 3.72Å; F72-H76 AromaticContact CE2-CE1 3.17Å; F72-H76 WeakPolarHBondContact CE2-CE1 3.36Å; F72-H76 AromaticContact CE2-ND1 3.64Å; F72-H76 AromaticContact CE2-NE2 3.62Å; F72-H76 AromaticContact CZ-CE1 3.71Å; F72-H76 AromaticContact CZ-ND1 3.95Å; F72-H76 AromaticContact CZ-NE2 3.8Å; F72-H76 WeakPolarHBondContact O-CB 3.17Å; F72-H76 PolarHBondContact O-N 3.07Å; F72-H76 PolarHBondContact O-ND1 3Å; L73-H76 CarbonylContact O-C 3.56Å; L73-H76 PolarHBondContact O-N 2.88Å
77G97.8Very high97.6Very high3 Ų355.8 Ų55.83%0.03131%0.308CS..  trans106.5174.3-17300000112.3G37 D79 A80 A81G37-G77 CarbonylContact O-C 3.59Å; G37-G77 WeakPolarHBondContact O-CA 3.48Å; G37-G77 PolarHBondContact O-N 2.82Å; G77-D79 VanDerWaalsContact C-N 3.33Å; G77-D79 PolarHBondContact O-N 2.96Å; G77-A80 PolarHBondContact O-N 3.01Å; G77-A81 WeakPolarHBondContact O-CB 3.33Å; G77-A81 PolarHBondContact O-N 3.45Å
78N98.6Very high97.8Very high1 Ų155 Ų551%0.00530%0.302CS..Hα-helixtrans-68.7-30.1-169-69.7-0.2000112.9G17 N18 R20 A22 V38 F39 A81 R82G17-N78 VanDerWaalsContact O-CB 3.23Å; G17-N78 WeakPolarHBondContact O-CB 3.28Å; N18-N78 WeakPolarHBondContact OD1-CB 3.04Å; N18-N78 PolarHBondContact OD1-N 2.93Å; R20-N78 PolarHBondContact O-ND2 2.79Å; A22-N78 HydrophobicContact CB-CB 4.47Å; V38-N78 WeakPolarHBondContact CA-OD1 3.36Å; F39-N78 PolarHBondContact N-OD1 3.09Å; F39-N78 PolarHBondContact O-ND2 2.91Å; F39-N78 PolarHBondContact O-OD1 3.24Å; N78-A81 PolarHBondContact O-N 2.93Å; N78-R82 WeakPolarHBondContact O-CG 3.41Å; N78-R82 PolarHBondContact O-N 2.87Å
79D98.4Very high97.9Very high97 Ų9753 Ų5352%0.51928%0.284SS..Hα-helixtrans-65.2-47.7172.9-75.4-39.8000111.8G17 G77 A81 R82 A83G17-D79 WeakPolarHBondContact CA-OD2 3.33Å; G77-D79 VanDerWaalsContact C-N 3.33Å; G77-D79 PolarHBondContact O-N 2.96Å; D79-A81 VanDerWaalsContact C-N 3.28Å; D79-A81 PolarHBondContact O-N 3.36Å; D79-R82 PolarHBondContact O-N 3.21Å; D79-R82 IonicContact OD1-CZ 3.94Å; D79-R82 IonicContact OD1-NE 2.8Å; D79-R82 IonicContact OD1-NH2 3.26Å; D79-R82 PolarHBondContact OD1-NH2 2.74Å; D79-A83 PolarHBondContact O-N 2.98Å
80A98.3Very high98Very high41 Ų4152.9 Ų52.934%0.33929%0.285SS..Hα-helixtrans-61.5-40.217600000111.2G77 A83 R84G77-A80 PolarHBondContact O-N 3.01Å; A80-A83 PolarHBondContact O-N 3.49Å; A80-R84 WeakPolarHBondContact O-CB 3.07Å; A80-R84 PolarHBondContact O-N 2.86Å
81A98.3Very high98.1Very high7 Ų754.9 Ų54.96%0.05830%0.3CS..Hα-helixtrans-65.4-40.3175.900000112.8V38 G77 N78 D79 R84 F85V38-A81 HydrophobicContact CG1-CB 3.27Å; G77-A81 WeakPolarHBondContact O-CB 3.33Å; G77-A81 PolarHBondContact O-N 3.45Å; N78-A81 PolarHBondContact O-N 2.93Å; D79-A81 VanDerWaalsContact C-N 3.28Å; D79-A81 PolarHBondContact O-N 3.36Å; A81-R84 PolarHBondContact O-N 2.71Å; A81-F85 HydrophobicContact CB-CD2 4.04Å; A81-F85 WeakPolarHBondContact O-CA 3.34Å; A81-F85 WeakPolarHBondContact O-CB 3.34Å; A81-F85 PolarHBondContact O-N 2.83Å
82R98.4Very high98.1Very high88 Ų8850 Ų5033%0.33228%0.277SS..Hα-helixtrans-60.8-48.6172.1-79.8-176.6-74.9-88.25.9111.1G17 N78 D79 R84 E86G17-R82 PolarHBondContact O-NH2 2.88Å; N78-R82 WeakPolarHBondContact O-CG 3.41Å; N78-R82 PolarHBondContact O-N 2.87Å; D79-R82 PolarHBondContact O-N 3.21Å; D79-R82 IonicContact OD1-CZ 3.94Å; D79-R82 IonicContact OD1-NE 2.8Å; D79-R82 IonicContact OD1-NH2 3.26Å; D79-R82 PolarHBondContact OD1-NH2 2.74Å; R82-R84 PolarHBondContact O-N 3.32Å; R82-E86 CarbonylContact O-C 3.53Å; R82-E86 WeakPolarHBondContact O-CA 3.34Å; R82-E86 VanDerWaalsContact O-CB 3.28Å; R82-E86 WeakPolarHBondContact O-CB 3.08Å; R82-E86 PolarHBondContact O-N 3.47Å
83A98.4Very high98.2Very high75 Ų7547.2 Ų47.262%0.6226%0.264SS*.Hα-helixtrans-60.2-32.5179.200000112.9D79 A80 S87D79-A83 PolarHBondContact O-N 2.98Å; A80-A83 PolarHBondContact O-N 3.49Å; A83-S87 VanDerWaalsContact O-CB 3.29Å; A83-S87 WeakPolarHBondContact O-CB 3.48Å
84R98.4Very high98.2Very high151 Ų15148.7 Ų48.757%0.5727%0.27SS*.Hα-helixtrans-89.7-65.1179.9-178-179.3178.988.11.5113.3A80 A81 R82 E86 S87 I119A80-R84 WeakPolarHBondContact O-CB 3.07Å; A80-R84 PolarHBondContact O-N 2.86Å; A81-R84 PolarHBondContact O-N 2.71Å; R82-R84 PolarHBondContact O-N 3.32Å; R84-E86 VanDerWaalsContact C-N 3.32Å; R84-E86 PolarHBondContact O-N 3.33Å; R84-S87 WeakPolarHBondContact O-CB 3.19Å; R84-I119 HydrophobicContact CG-CD1 4.27Å; R84-I119 WeakPolarHBondContact O-CG1 3.41Å
85F98.8Very high98.3Very high14 Ų1452.9 Ų52.96%0.06128%0.28CS..Hα-helixtrans-82.9-8.2-170.5-61.4-71.7000113.5L36 A81 K112 Y113 F118 I119L36-F85 HydrophobicContact CD2-CZ 3.99Å; A81-F85 HydrophobicContact CB-CD2 4.04Å; A81-F85 WeakPolarHBondContact O-CA 3.34Å; A81-F85 WeakPolarHBondContact O-CB 3.34Å; A81-F85 PolarHBondContact O-N 2.83Å; F85-K112 HydrophobicContact CB-CB 4.36Å; F85-K112 WeakPolarHBondContact CD1-O 3.16Å; F85-Y113 HydrophobicContact CB-CD1 4.2Å; F85-Y113 HydrophobicContact CB-CE1 3.99Å; F85-Y113 AromaticContact CD1-CD1 3.83Å; F85-Y113 HydrophobicContact CD1-CD1 3.83Å; F85-Y113 HydrophobicContact CD1-CE1 4.36Å; F85-Y113 AromaticContact CD2-CD1 3.9Å; F85-Y113 HydrophobicContact CD2-CD1 3.9Å; F85-Y113 AromaticContact CD2-CE1 3.7Å; F85-Y113 HydrophobicContact CD2-CE1 3.7Å; F85-Y113 HydrophobicContact CE1-CD1 4.12Å; F85-Y113 HydrophobicContact CE2-CD1 4.18Å; F85-Y113 HydrophobicContact CE2-CE1 4.24Å; F85-Y113 AromaticContact CG-CD1 3.72Å; F85-Y113 HydrophobicContact CG-CD1 3.72Å; F85-Y113 AromaticContact CG-CE1 3.77Å; F85-Y113 HydrophobicContact CG-CE1 3.77Å; F85-Y113 HydrophobicContact CZ-CD1 4.28Å; F85-F118 WeakPolarHBondContact O-CB 3.32Å; F85-F118 WeakPolarHBondContact O-CD2 3.37Å; F85-I119 HydrophobicContact CD1-CD1 3.81Å; F85-I119 HydrophobicContact CE1-CD1 4.16Å
86E98.5Very high98.4Very high27 Ų2749.2 Ų49.213%0.12625%0.254CS..THydrogen-bonded Turntrans-121.419.7175.3-55.9-177.3-163.800111.7R82 R84 K88 V89 R95 W108 K112R82-E86 CarbonylContact O-C 3.53Å; R82-E86 WeakPolarHBondContact O-CA 3.34Å; R82-E86 VanDerWaalsContact O-CB 3.28Å; R82-E86 WeakPolarHBondContact O-CB 3.08Å; R82-E86 PolarHBondContact O-N 3.47Å; R84-E86 VanDerWaalsContact C-N 3.32Å; R84-E86 PolarHBondContact O-N 3.33Å; E86-K88 VanDerWaalsContact C-N 3.28Å; E86-K88 PolarHBondContact O-N 3.26Å; E86-V89 HydrophobicContact CB-CG2 3.71Å; E86-V89 HydrophobicContact CG-CG2 4.25Å; E86-R95 IonicContact OE2-CZ 2.69Å; E86-R95 IonicContact OE2-NH1 3.18Å; E86-R95 PolarHBondContact OE2-NH1 3.16Å; E86-R95 IonicContact OE2-NH2 3.36Å; E86-W108 HydrophobicContact CG-CH2 4.39Å; E86-W108 HydrophobicContact CG-CZ2 4.31Å; E86-K112 HydrophobicContact CG-CD 3.55Å; E86-K112 HydrophobicContact CG-CG 4.45Å; E86-K112 VanDerWaalsContact OE1-CD 3.31Å; E86-K112 WeakPolarHBondContact OE1-CD 3.32Å; E86-K112 IonicContact OE1-NZ 3.83Å; E86-K112 PolarHBondContact OE1-NZ 2.95Å
87S98.1Very high98.4Very high63 Ų6348.1 Ų48.144%0.44125%0.253SS..THydrogen-bonded Turntrans-59.8-34.1-172.474.90000114A83 R84 F118A83-S87 VanDerWaalsContact O-CB 3.29Å; A83-S87 WeakPolarHBondContact O-CB 3.48Å; R84-S87 WeakPolarHBondContact O-CB 3.19Å; S87-F118 PolarHBondContact OG-O 3.32Å
88K98.5Very high98.4Very high105 Ų10551.4 Ų51.446%0.45727%0.273SS..THydrogen-bonded Turntrans-132.445-176.2-59.2168.8-170.7166.20111.3E86 P90 F118 I119 P121 Q124E86-K88 VanDerWaalsContact C-N 3.28Å; E86-K88 PolarHBondContact O-N 3.26Å; K88-P90 WeakPolarHBondContact O-CD 3.39Å; K88-F118 WeakPolarHBondContact CB-O 3.49Å; K88-F118 PolarHBondContact N-O 3.44Å; K88-I119 PolarHBondContact NZ-O 3.34Å; K88-P121 HydrophobicContact CD-CB 4.26Å; K88-P121 HydrophobicContact CD-CG 3.98Å; K88-Q124 PolarHBondContact O-NE2 2.92Å
89V98.7Very high98.3Very high25 Ų2556.6 Ų56.615%0.15231%0.31CS..  trans-72.5121173.3179.50000108.6E86 W108 F118E86-V89 HydrophobicContact CB-CG2 3.71Å; E86-V89 HydrophobicContact CG-CG2 4.25Å; V89-W108 HydrophobicContact CG1-CH2 4.3Å; V89-W108 HydrophobicContact CG1-CZ3 4.35Å; V89-W108 HydrophobicContact CG2-CH2 4.05Å; V89-W108 HydrophobicContact CG2-CZ3 4.49Å; V89-F118 HydrophobicContact CB-CD1 4.24Å; V89-F118 HydrophobicContact CB-CG 4.44Å; V89-F118 HydrophobicContact CG1-CD1 4.49Å; V89-F118 HydrophobicContact CG1-CE1 4.44Å; V89-F118 HydrophobicContact CG2-CB 3.82Å; V89-F118 HydrophobicContact CG2-CD1 3.79Å; V89-F118 HydrophobicContact CG2-CD2 3.89Å; V89-F118 HydrophobicContact CG2-CE1 4.32Å; V89-F118 HydrophobicContact CG2-CE2 4.4Å; V89-F118 HydrophobicContact CG2-CG 3.53Å
90P98.4Very high98.3Very high21 Ų2152.7 Ų52.714%0.13629%0.289CS..  trans-59.9142.6176-2434.4000111.9K88 F92 Y93 Q124K88-P90 WeakPolarHBondContact O-CD 3.39Å; P90-F92 HydrophobicContact CB-CD1 3.93Å; P90-F92 HydrophobicContact CB-CD2 4.13Å; P90-F92 HydrophobicContact CB-CE1 3.53Å; P90-F92 HydrophobicContact CB-CE2 3.73Å; P90-F92 HydrophobicContact CB-CG 4.21Å; P90-F92 HydrophobicContact CB-CZ 3.42Å; P90-F92 VanDerWaalsContact CB-CZ 3.42Å; P90-F92 HydrophobicContact CG-CE1 4.42Å; P90-F92 HydrophobicContact CG-CE2 4.21Å; P90-F92 HydrophobicContact CG-CZ 3.9Å; P90-F92 PolarHBondContact O-N 3.36Å; P90-F92 VanDerWaalsContact O-N 3.09Å; P90-Y93 WeakPolarHBondContact O-CB 3.49Å; P90-Y93 PolarHBondContact O-N 3.49Å; P90-Q124 VanDerWaalsContact CG-OE1 3.24Å
91S98Very high98.3Very high60 Ų6052.1 Ų52.142%0.4228%0.282SS..THydrogen-bonded Turntrans-53.4-34.6179.1-60.10000112.6D242 V246S91-D242 WeakPolarHBondContact CB-OD2 3.41Å; S91-D242 PolarHBondContact OG-OD2 3.35Å; S91-V246 VanDerWaalsContact O-CG2 3.32Å; S91-V246 WeakPolarHBondContact O-CG2 3.21Å
92F98.3Very high98.3Very high15 Ų1555.9 Ų55.97%0.06630%0.299CS..THydrogen-bonded Turntrans-78.5-15.1179.960.1-106.3000114.2P90 Y94 Y127 R226 A227 F230 L249P90-F92 HydrophobicContact CB-CD1 3.93Å; P90-F92 HydrophobicContact CB-CD2 4.13Å; P90-F92 HydrophobicContact CB-CE1 3.53Å; P90-F92 HydrophobicContact CB-CE2 3.73Å; P90-F92 HydrophobicContact CB-CG 4.21Å; P90-F92 HydrophobicContact CB-CZ 3.42Å; P90-F92 VanDerWaalsContact CB-CZ 3.42Å; P90-F92 HydrophobicContact CG-CE1 4.42Å; P90-F92 HydrophobicContact CG-CE2 4.21Å; P90-F92 HydrophobicContact CG-CZ 3.9Å; P90-F92 PolarHBondContact O-N 3.36Å; P90-F92 VanDerWaalsContact O-N 3.09Å; F92-Y94 PolarHBondContact O-N 2.99Å; F92-Y127 HydrophobicContact CE2-CD2 4.1Å; F92-Y127 HydrophobicContact CE2-CE2 4.49Å; F92-R226 PolarHBondContact O-NE 3.08Å; F92-R226 PolarHBondContact O-NH2 2.65Å; F92-A227 HydrophobicContact CD1-CB 3.85Å; F92-A227 HydrophobicContact CD2-CB 3.69Å; F92-A227 HydrophobicContact CE1-CB 3.83Å; F92-A227 HydrophobicContact CE2-CB 3.7Å; F92-A227 HydrophobicContact CG-CB 3.78Å; F92-A227 HydrophobicContact CZ-CB 3.77Å; F92-F230 HydrophobicContact CB-CB 3.98Å; F92-F230 HydrophobicContact CB-CD1 4.4Å; F92-F230 HydrophobicContact CB-CG 4.21Å; F92-F230 HydrophobicContact CD1-CD1 4.24Å; F92-L249 HydrophobicContact CB-CD1 3.71Å
93Y98.8Very high98.3Very high7 Ų752 Ų523%0.02728%0.284CS..SBendtrans-66.6131.3-174.4-159.6-78.4000110.8P90 R95 W108 F118 Y127 N223P90-Y93 WeakPolarHBondContact O-CB 3.49Å; P90-Y93 PolarHBondContact O-N 3.49Å; Y93-R95 PolarHBondContact O-N 3.09Å; Y93-W108 HydrophobicContact CD1-CE3 4.11Å; Y93-W108 AromaticContact CD1-CZ3 3.88Å; Y93-W108 HydrophobicContact CD1-CZ3 3.88Å; Y93-W108 AromaticContact CE1-CE3 3.76Å; Y93-W108 HydrophobicContact CE1-CE3 3.76Å; Y93-W108 AromaticContact CE1-CZ3 3.97Å; Y93-W108 HydrophobicContact CE1-CZ3 3.97Å; Y93-F118 HydrophobicContact CD1-CE1 4.39Å; Y93-F118 HydrophobicContact CD1-CZ 4.15Å; Y93-F118 AromaticContact CD2-CE1 3.98Å; Y93-F118 HydrophobicContact CD2-CE1 3.98Å; Y93-F118 HydrophobicContact CD2-CZ 4.36Å; Y93-F118 HydrophobicContact CE1-CE1 4.43Å; Y93-F118 AromaticContact CE1-CZ 3.88Å; Y93-F118 HydrophobicContact CE1-CZ 3.88Å; Y93-F118 AromaticContact CE2-CE1 3.99Å; Y93-F118 HydrophobicContact CE2-CE1 3.99Å; Y93-F118 HydrophobicContact CE2-CZ 4.08Å; Y93-F118 HydrophobicContact CG-CE1 4.18Å; Y93-F118 HydrophobicContact CG-CZ 4.39Å; Y93-F118 AromaticContact CZ-CZ 3.83Å; Y93-Y127 AromaticContact CD2-CE2 3.83Å; Y93-Y127 HydrophobicContact CD2-CE2 3.83Å; Y93-Y127 HydrophobicContact CE2-CE1 4.21Å; Y93-Y127 AromaticContact CE2-CE2 3.9Å; Y93-Y127 HydrophobicContact CE2-CE2 3.9Å; Y93-Y127 AromaticContact CE2-CZ 3.64Å; Y93-N223 HydrophobicContact CD2-CB 4.19Å; Y93-N223 HydrophobicContact CE2-CB 4.25Å; Y93-N223 WeakPolarHBondContact CE2-ND2 3.46Å; Y93-N223 VanDerWaalsContact CZ-ND2 3.34Å
94Y98.7Very high98.3Very high30 Ų3048.9 Ų48.912%0.11826%0.257CS..  trans-73122.1-178.4-171.4-93.5000111.6F92 P96 D100 L104 F222 N223 N252F92-Y94 PolarHBondContact O-N 2.99Å; Y94-P96 HydrophobicContact CE1-CB 4.39Å; Y94-D100 VanDerWaalsContact OH-CG 3.31Å; Y94-D100 PolarHBondContact OH-OD1 3.08Å; Y94-D100 PolarHBondContact OH-OD2 2.89Å; Y94-L104 HydrophobicContact CD1-CD1 4.28Å; Y94-L104 HydrophobicContact CD1-CD2 4.03Å; Y94-L104 HydrophobicContact CE1-CD1 3.82Å; Y94-L104 HydrophobicContact CE1-CD2 4.42Å; Y94-F222 HydrophobicContact CD1-CE1 4.14Å; Y94-F222 AromaticContact CD2-CE1 3.88Å; Y94-F222 HydrophobicContact CD2-CE1 3.88Å; Y94-F222 AromaticContact CD2-CZ 3.94Å; Y94-F222 HydrophobicContact CD2-CZ 3.94Å; Y94-F222 HydrophobicContact CE2-CZ 4.43Å; Y94-F222 AromaticContact CG-CE1 3.59Å; Y94-F222 HydrophobicContact CG-CE1 3.59Å; Y94-F222 HydrophobicContact CG-CZ 4.14Å; Y94-N223 PolarHBondContact N-OD1 3.43Å; Y94-N252 PolarHBondContact OH-ND2 2.76Å; Y94-N252 VanDerWaalsContact OH-ND2 3.15Å
95R98.5Very high98.3Very high118 Ų11843.4 Ų43.445%0.44524%0.237SC..  trans-95.3114.6174.8-69.4172.2173.4-88.33.8109.3E86 Y93 W108E86-R95 IonicContact OE2-CZ 2.69Å; E86-R95 IonicContact OE2-NH1 3.18Å; E86-R95 PolarHBondContact OE2-NH1 3.16Å; E86-R95 IonicContact OE2-NH2 3.36Å; Y93-R95 PolarHBondContact O-N 3.09Å; R95-W108 HydrophobicContact CG-CH2 4.12Å; R95-W108 HydrophobicContact CG-CZ2 4.43Å; R95-W108 HydrophobicContact CG-CZ3 4.48Å
96P98.4Very high98.3Very high8 Ų844.3 Ų44.35%0.05224%0.241CC..  trans-74.9152.2-175.432-36.5000112.8Y94 D100 L104 R105 W108Y94-P96 HydrophobicContact CE1-CB 4.39Å; P96-D100 WeakPolarHBondContact CA-OD2 3.42Å; P96-D100 HydrophobicContact CB-CB 4.21Å; P96-L104 HydrophobicContact CB-CB 4.18Å; P96-R105 HydrophobicContact CB-CG 3.92Å; P96-R105 HydrophobicContact CG-CG 4.33Å; P96-W108 HydrophobicContact CG-CB 3.51Å; P96-W108 HydrophobicContact CG-CD2 4.42Å; P96-W108 HydrophobicContact CG-CG 3.62Å
97T98.3Very high98.3Very high54 Ų5443.7 Ų43.733%0.33124%0.238SC..  trans-109.5172.3176.2670000110.2S99 D100 R105T97-S99 PolarHBondContact O-N 2.87Å; T97-S99 PolarHBondContact OG1-OG 2.87Å; T97-D100 WeakPolarHBondContact CB-OD2 3.42Å; T97-D100 PolarHBondContact N-OD2 2.82Å; T97-D100 PolarHBondContact O-N 2.87Å; T97-D100 PolarHBondContact OG1-OD2 2.98Å; T97-R105 WeakPolarHBondContact O-CD 3.48Å
98P98Very high98.4Very high72 Ų7241 Ų4147%0.46822%0.218SC..THydrogen-bonded Turntrans-64.5-24.6179.4-21.236000113.5C24 A26C24-P98 HydrophobicContact CB-CG 4.37Å; C24-P98 VanDerWaalsContact O-CD 3.23Å; C24-P98 WeakPolarHBondContact O-CD 3.22Å; A26-P98 HydrophobicContact CB-CG 3.88Å
99S96.2Very high98.4Very high110 Ų11036 Ų3677%0.76920%0.196SC*.THydrogen-bonded Turntrans-79.6-13.7177.944.70000114.1T97T97-S99 PolarHBondContact O-N 2.87Å; T97-S99 PolarHBondContact OG1-OG 2.87Å
100D98.1Very high98.4Very high15 Ų1536.8 Ų36.88%0.0820%0.197CC..SBendtrans-71.5154.2179.2-73.3-67.5000112.2Y94 P96 T97 L104 R105Y94-D100 VanDerWaalsContact OH-CG 3.31Å; Y94-D100 PolarHBondContact OH-OD1 3.08Å; Y94-D100 PolarHBondContact OH-OD2 2.89Å; P96-D100 WeakPolarHBondContact CA-OD2 3.42Å; P96-D100 HydrophobicContact CB-CB 4.21Å; T97-D100 WeakPolarHBondContact CB-OD2 3.42Å; T97-D100 PolarHBondContact N-OD2 2.82Å; T97-D100 PolarHBondContact O-N 2.87Å; T97-D100 PolarHBondContact OG1-OD2 2.98Å; D100-L104 HydrophobicContact CB-CB 4.22Å; D100-L104 HydrophobicContact CB-CD1 4.01Å; D100-R105 PolarHBondContact O-NE 3.48Å; D100-R105 VanDerWaalsContact O-NE 3.12Å
101C97.9Very high98.4Very high29 Ų2935.8 Ų35.820%0.19619%0.19CC..  trans-57.4155.9178.1690000111.6L103 L104 R105 P186C101-L103 PolarHBondContact O-N 3.39Å; C101-L104 PolarHBondContact O-N 2.86Å; C101-R105 PolarHBondContact O-N 3.21Å; C101-P186 HydrophobicContact CB-CG 3.91Å
102Q98.1Very high98.5Very high87 Ų8733 Ų3341%0.40717%0.171SC..Hα-helixtrans-54.1-40.8-178-174-78.5-6.900111.6L104 R105 E106Q102-L104 PolarHBondContact O-N 3.48Å; Q102-R105 PolarHBondContact O-N 2.84Å; Q102-E106 PolarHBondContact NE2-OE2 3.24Å; Q102-E106 WeakPolarHBondContact O-CB 3.45Å; Q102-E106 PolarHBondContact O-N 2.84Å; Q102-E106 PolarHBondContact OE1-OE2 3.18Å
103L98.7Very high98.5Very high5 Ų532.4 Ų32.43%0.02617%0.168CC..Hα-helixtrans-55.6-49.1-178.9171.466000112.5C101 R105 E106 Q107 F184 H193 I218 V219C101-L103 PolarHBondContact O-N 3.39Å; L103-R105 VanDerWaalsContact C-N 3.34Å; L103-R105 PolarHBondContact O-N 3.44Å; L103-E106 PolarHBondContact O-N 3.19Å; L103-Q107 HydrophobicContact CD1-CG 3.67Å; L103-Q107 HydrophobicContact CG-CG 4.48Å; L103-Q107 WeakPolarHBondContact O-CB 3.37Å; L103-Q107 WeakPolarHBondContact O-CG 3.35Å; L103-Q107 PolarHBondContact O-N 2.81Å; L103-F184 HydrophobicContact CD2-CD1 3.87Å; L103-F184 HydrophobicContact CD2-CE1 3.39Å; L103-F184 HydrophobicContact CD2-CZ 3.98Å; L103-H193 HydrophobicContact CD2-CB 4.27Å; L103-I218 HydrophobicContact CD2-CG2 3.71Å; L103-V219 HydrophobicContact CD1-CG2 4.14Å; L103-V219 HydrophobicContact CD2-CG2 4.05Å; L103-V219 HydrophobicContact CG-CG2 3.86Å
104L98.8Very high98.5Very high10 Ų1035.1 Ų35.15%0.05218%0.181CC..Hα-helixtrans-62.8-42.6-178.2-80.9171.3000111.2Y94 P96 D100 C101 Q102 W108 F184 V219 F222Y94-L104 HydrophobicContact CD1-CD1 4.28Å; Y94-L104 HydrophobicContact CD1-CD2 4.03Å; Y94-L104 HydrophobicContact CE1-CD1 3.82Å; Y94-L104 HydrophobicContact CE1-CD2 4.42Å; P96-L104 HydrophobicContact CB-CB 4.18Å; D100-L104 HydrophobicContact CB-CB 4.22Å; D100-L104 HydrophobicContact CB-CD1 4.01Å; C101-L104 PolarHBondContact O-N 2.86Å; Q102-L104 PolarHBondContact O-N 3.48Å; L104-W108 WeakPolarHBondContact O-CB 3.33Å; L104-W108 PolarHBondContact O-N 2.96Å; L104-W108 VanDerWaalsContact O-N 3.1Å; L104-F184 HydrophobicContact CD1-CB 4.42Å; L104-F184 HydrophobicContact CD1-CD2 3.79Å; L104-F184 HydrophobicContact CD1-CG 4.39Å; L104-F184 HydrophobicContact CD2-CD2 3.74Å; L104-F184 HydrophobicContact CD2-CE2 3.61Å; L104-F184 HydrophobicContact CG-CD2 3.76Å; L104-F184 HydrophobicContact CG-CE2 4.07Å; L104-F184 HydrophobicContact CG-CG 4.4Å; L104-V219 HydrophobicContact CD2-CG2 4.48Å; L104-F222 HydrophobicContact CD2-CD1 4.21Å; L104-F222 HydrophobicContact CD2-CE1 4.14Å
105R98.8Very high98.5Very high37 Ų3735.6 Ų35.614%0.1418%0.182CC..Hα-helixtrans-67.7-42.3177.6-69.3-175.9-71.6125.1-8.2112S43 I47 P96 T97 D100 C101 Q102 L103 I109S43-R105 PolarHBondContact OG-NH1 2.9Å; I47-R105 HydrophobicContact CD1-CB 3.97Å; P96-R105 HydrophobicContact CB-CG 3.92Å; P96-R105 HydrophobicContact CG-CG 4.33Å; T97-R105 WeakPolarHBondContact O-CD 3.48Å; D100-R105 PolarHBondContact O-NE 3.48Å; D100-R105 VanDerWaalsContact O-NE 3.12Å; C101-R105 PolarHBondContact O-N 3.21Å; Q102-R105 PolarHBondContact O-N 2.84Å; L103-R105 VanDerWaalsContact C-N 3.34Å; L103-R105 PolarHBondContact O-N 3.44Å; R105-I109 WeakPolarHBondContact O-CG1 3.18Å; R105-I109 PolarHBondContact O-N 2.77Å
106E98.8Very high98.5Very high33 Ų3332.5 Ų32.515%0.15417%0.173CC..Hα-helixtrans-63.7-50177.2175.6171.8-174.600111.9I47 Q102 L103 W108 I109 R110I47-E106 HydrophobicContact CD1-CB 4.45Å; I47-E106 HydrophobicContact CG2-CB 4.05Å; I47-E106 HydrophobicContact CG2-CG 4Å; Q102-E106 PolarHBondContact NE2-OE2 3.24Å; Q102-E106 WeakPolarHBondContact O-CB 3.45Å; Q102-E106 PolarHBondContact O-N 2.84Å; Q102-E106 PolarHBondContact OE1-OE2 3.18Å; L103-E106 PolarHBondContact O-N 3.19Å; E106-W108 VanDerWaalsContact C-N 3.27Å; E106-W108 PolarHBondContact O-N 2.81Å; E106-I109 PolarHBondContact O-N 3.49Å; E106-R110 HydrophobicContact CG-CG 4.3Å; E106-R110 WeakPolarHBondContact O-CG 3.42Å; E106-R110 PolarHBondContact O-N 2.88Å; E106-R110 IonicContact OE1-CZ 2.68Å; E106-R110 VanDerWaalsContact OE1-CZ 3.27Å; E106-R110 IonicContact OE1-NE 3.57Å; E106-R110 PolarHBondContact OE1-NE 2.92Å; E106-R110 IonicContact OE1-NH2 2.89Å; E106-R110 PolarHBondContact OE1-NH2 3.1Å
107Q98.9Very high98.5Very high13 Ų1332.2 Ų32.26%0.06117%0.171CC..Hα-helixtrans-69.1-27.2-177.1-68.1-59.4-24.400112.7L103 A111 R115 V219L103-Q107 HydrophobicContact CD1-CG 3.67Å; L103-Q107 HydrophobicContact CG-CG 4.48Å; L103-Q107 WeakPolarHBondContact O-CB 3.37Å; L103-Q107 WeakPolarHBondContact O-CG 3.35Å; L103-Q107 PolarHBondContact O-N 2.81Å; Q107-A111 WeakPolarHBondContact O-CB 3.48Å; Q107-A111 PolarHBondContact O-N 2.8Å; Q107-R115 PolarHBondContact O-NH2 3.27Å; Q107-V219 HydrophobicContact CB-CB 4.22Å; Q107-V219 HydrophobicContact CB-CG1 4.09Å; Q107-V219 HydrophobicContact CB-CG2 3.98Å; Q107-V219 HydrophobicContact CG-CB 4.35Å; Q107-V219 HydrophobicContact CG-CG2 3.9Å
108W98.9Very high98.5Very high6 Ų629.6 Ų29.62%0.02316%0.155CC..Hα-helixtrans-63.8-49.1168.5174.1-117.6000112.4D23 E86 V89 Y93 R95 P96 L104 E106 R110 A111 K112 F118D23-W108 PolarHBondContact O-NE1 3.35Å; E86-W108 HydrophobicContact CG-CH2 4.39Å; E86-W108 HydrophobicContact CG-CZ2 4.31Å; V89-W108 HydrophobicContact CG1-CH2 4.3Å; V89-W108 HydrophobicContact CG1-CZ3 4.35Å; V89-W108 HydrophobicContact CG2-CH2 4.05Å; V89-W108 HydrophobicContact CG2-CZ3 4.49Å; Y93-W108 HydrophobicContact CD1-CE3 4.11Å; Y93-W108 AromaticContact CD1-CZ3 3.88Å; Y93-W108 HydrophobicContact CD1-CZ3 3.88Å; Y93-W108 AromaticContact CE1-CE3 3.76Å; Y93-W108 HydrophobicContact CE1-CE3 3.76Å; Y93-W108 AromaticContact CE1-CZ3 3.97Å; Y93-W108 HydrophobicContact CE1-CZ3 3.97Å; R95-W108 HydrophobicContact CG-CH2 4.12Å; R95-W108 HydrophobicContact CG-CZ2 4.43Å; R95-W108 HydrophobicContact CG-CZ3 4.48Å; P96-W108 HydrophobicContact CG-CB 3.51Å; P96-W108 HydrophobicContact CG-CD2 4.42Å; P96-W108 HydrophobicContact CG-CG 3.62Å; L104-W108 WeakPolarHBondContact O-CB 3.33Å; L104-W108 PolarHBondContact O-N 2.96Å; L104-W108 VanDerWaalsContact O-N 3.1Å; E106-W108 VanDerWaalsContact C-N 3.27Å; E106-W108 PolarHBondContact O-N 2.81Å; W108-R110 VanDerWaalsContact C-N 3.35Å; W108-R110 PolarHBondContact O-N 3.2Å; W108-A111 PolarHBondContact O-N 2.95Å; W108-K112 HydrophobicContact CD2-CD 4.34Å; W108-K112 HydrophobicContact CD2-CG 4.28Å; W108-K112 HydrophobicContact CE3-CG 4.46Å; W108-K112 HydrophobicContact CH2-CD 4.15Å; W108-K112 HydrophobicContact CH2-CG 4.36Å; W108-K112 HydrophobicContact CZ2-CD 3.6Å; W108-K112 HydrophobicContact CZ2-CG 4.18Å; W108-K112 VanDerWaalsContact NE1-CE 3.34Å; W108-K112 WeakPolarHBondContact O-CG 3.22Å; W108-K112 PolarHBondContact O-N 2.76Å; W108-F118 AromaticContact CE3-CE2 3.91Å; W108-F118 HydrophobicContact CE3-CE2 3.91Å; W108-F118 AromaticContact CE3-CZ 3.98Å; W108-F118 HydrophobicContact CE3-CZ 3.98Å; W108-F118 HydrophobicContact CH2-CE2 4.14Å; W108-F118 HydrophobicContact CH2-CZ 4.49Å; W108-F118 HydrophobicContact CZ3-CD2 4.41Å; W108-F118 HydrophobicContact CZ3-CE1 4.49Å; W108-F118 AromaticContact CZ3-CE2 3.5Å; W108-F118 HydrophobicContact CZ3-CE2 3.5Å; W108-F118 VanDerWaalsContact CZ3-CE2 3.5Å; W108-F118 AromaticContact CZ3-CZ 3.55Å; W108-F118 HydrophobicContact CZ3-CZ 3.55Å
109I98.9Very high98.5Very high0 Ų027.6 Ų27.60%014%0.14CC..Hα-helixtrans-59.8-46.5177.2-73.1166.6000110.4D23 C44 I47 I51 R105 E106 K112 Y113D23-I109 HydrophobicContact CB-CD1 4.07Å; D23-I109 HydrophobicContact CB-CG1 3.8Å; C44-I109 HydrophobicContact CB-CD1 4.16Å; I47-I109 HydrophobicContact CB-CD1 3.81Å; I47-I109 HydrophobicContact CD1-CD1 3.85Å; I47-I109 HydrophobicContact CG1-CD1 4.42Å; I47-I109 HydrophobicContact CG2-CB 4.22Å; I47-I109 HydrophobicContact CG2-CD1 3.71Å; I47-I109 HydrophobicContact CG2-CG2 4.1Å; I51-I109 HydrophobicContact CD1-CG2 3.95Å; R105-I109 WeakPolarHBondContact O-CG1 3.18Å; R105-I109 PolarHBondContact O-N 2.77Å; E106-I109 PolarHBondContact O-N 3.49Å; I109-K112 PolarHBondContact O-N 3.45Å; I109-Y113 HydrophobicContact CB-CD2 4.49Å; I109-Y113 HydrophobicContact CG2-CD2 3.88Å; I109-Y113 HydrophobicContact CG2-CE2 4.24Å; I109-Y113 WeakPolarHBondContact O-CD2 3.06Å; I109-Y113 PolarHBondContact O-N 2.86Å
110R98.9Very high98.7Very high43 Ų4327.2 Ų27.216%0.16212%0.122CC..Iπ-helixtrans-65.7-40.1177.7-66.4-177.3178.2-81.7-1.8112.4I51 E106 W108 K112 E114 R115I51-R110 HydrophobicContact CG2-CG 4.38Å; E106-R110 HydrophobicContact CG-CG 4.3Å; E106-R110 WeakPolarHBondContact O-CG 3.42Å; E106-R110 PolarHBondContact O-N 2.88Å; E106-R110 IonicContact OE1-CZ 2.68Å; E106-R110 VanDerWaalsContact OE1-CZ 3.27Å; E106-R110 IonicContact OE1-NE 3.57Å; E106-R110 PolarHBondContact OE1-NE 2.92Å; E106-R110 IonicContact OE1-NH2 2.89Å; E106-R110 PolarHBondContact OE1-NH2 3.1Å; W108-R110 VanDerWaalsContact C-N 3.35Å; W108-R110 PolarHBondContact O-N 3.2Å; R110-K112 PolarHBondContact O-N 2.81Å; R110-E114 HydrophobicContact CB-CB 4.38Å; R110-E114 WeakPolarHBondContact CB-OE2 3.37Å; R110-E114 WeakPolarHBondContact CD-OE2 3.42Å; R110-E114 VanDerWaalsContact CG-OE2 3.26Å; R110-E114 WeakPolarHBondContact CG-OE2 3.45Å; R110-E114 IonicContact CZ-OE2 3.12Å; R110-E114 IonicContact NE-OE2 2.87Å; R110-E114 VanDerWaalsContact NH1-CD 3.31Å; R110-E114 IonicContact NH1-OE1 2.76Å; R110-E114 PolarHBondContact NH1-OE1 2.88Å; R110-E114 VanDerWaalsContact NH1-OE1 3.12Å; R110-E114 IonicContact NH1-OE2 3.27Å; R110-E114 PolarHBondContact NH1-OE2 3.03Å; R110-E114 WeakPolarHBondContact O-CB 3.38Å; R110-E114 PolarHBondContact O-N 2.95Å; R110-E114 VanDerWaalsContact O-N 3.07Å; R110-R115 PolarHBondContact O-N 3.35Å
111A98.9Very high98.5Very high0 Ų029 Ų290%013%0.134CC..Iπ-helixtrans-60.3-44.8176.100000111.7Q107 W108 Q116 E117 F118Q107-A111 WeakPolarHBondContact O-CB 3.48Å; Q107-A111 PolarHBondContact O-N 2.8Å; W108-A111 PolarHBondContact O-N 2.95Å; A111-Q116 CarbonylContact O-C 3.49Å; A111-Q116 WeakPolarHBondContact O-CA 3.39Å; A111-Q116 PolarHBondContact O-N 3.45Å; A111-E117 HydrophobicContact CB-CG 4.4Å; A111-E117 PolarHBondContact O-N 3.45Å; A111-F118 HydrophobicContact CB-CE2 3.73Å; A111-F118 HydrophobicContact CB-CZ 3.75Å
112K98.8Very high98.5Very high1 Ų133.1 Ų33.10%0.00415%0.151CC..Iπ-helixtrans-66.8-53179.7-73.2-157.8-67.8174.70113.1A22 D23 F85 E86 W108 I109 R110 Q116 F118A22-K112 PolarHBondContact O-NZ 3.37Å; D23-K112 VanDerWaalsContact OD1-CE 3.31Å; D23-K112 WeakPolarHBondContact OD1-CE 3.43Å; D23-K112 IonicContact OD1-NZ 2.75Å; D23-K112 PolarHBondContact OD1-NZ 3.03Å; F85-K112 HydrophobicContact CB-CB 4.36Å; F85-K112 WeakPolarHBondContact CD1-O 3.16Å; E86-K112 HydrophobicContact CG-CD 3.55Å; E86-K112 HydrophobicContact CG-CG 4.45Å; E86-K112 VanDerWaalsContact OE1-CD 3.31Å; E86-K112 WeakPolarHBondContact OE1-CD 3.32Å; E86-K112 IonicContact OE1-NZ 3.83Å; E86-K112 PolarHBondContact OE1-NZ 2.95Å; W108-K112 HydrophobicContact CD2-CD 4.34Å; W108-K112 HydrophobicContact CD2-CG 4.28Å; W108-K112 HydrophobicContact CE3-CG 4.46Å; W108-K112 HydrophobicContact CH2-CD 4.15Å; W108-K112 HydrophobicContact CH2-CG 4.36Å; W108-K112 HydrophobicContact CZ2-CD 3.6Å; W108-K112 HydrophobicContact CZ2-CG 4.18Å; W108-K112 VanDerWaalsContact NE1-CE 3.34Å; W108-K112 WeakPolarHBondContact O-CG 3.22Å; W108-K112 PolarHBondContact O-N 2.76Å; I109-K112 PolarHBondContact O-N 3.45Å; R110-K112 PolarHBondContact O-N 2.81Å; K112-Q116 WeakPolarHBondContact O-CA 3.38Å; K112-F118 HydrophobicContact CB-CD2 4.49Å; K112-F118 HydrophobicContact CB-CE2 4.49Å; K112-F118 HydrophobicContact CG-CD2 3.75Å; K112-F118 HydrophobicContact CG-CE2 3.62Å
113Y98.8Very high98.5Very high3 Ų333.2 Ų33.21%0.01215%0.15CC..Iπ-helixtrans-105.9-39.4-162.5-49.7-58.5000113.8D23 L36 H48 F85 I109 Q116D23-Y113 VanDerWaalsContact OD1-CE2 3.23Å; D23-Y113 WeakPolarHBondContact OD1-CE2 3.48Å; D23-Y113 VanDerWaalsContact OD1-CZ 3.32Å; D23-Y113 PolarHBondContact OD1-OH 2.84Å; L36-Y113 HydrophobicContact CD1-CD1 3.92Å; L36-Y113 HydrophobicContact CD1-CD2 3.96Å; L36-Y113 HydrophobicContact CD1-CE1 4.46Å; L36-Y113 HydrophobicContact CD1-CE2 4.49Å; L36-Y113 HydrophobicContact CD1-CG 3.64Å; L36-Y113 HydrophobicContact CD2-CD1 4.22Å; L36-Y113 HydrophobicContact CD2-CG 4.41Å; H48-Y113 AromaticContact CE1-CD2 3.64Å; H48-Y113 AromaticContact CE1-CE2 3.51Å; H48-Y113 AromaticContact NE2-CD2 3.97Å; H48-Y113 AromaticContact NE2-CE2 3.59Å; F85-Y113 HydrophobicContact CB-CD1 4.2Å; F85-Y113 HydrophobicContact CB-CE1 3.99Å; F85-Y113 AromaticContact CD1-CD1 3.83Å; F85-Y113 HydrophobicContact CD1-CD1 3.83Å; F85-Y113 HydrophobicContact CD1-CE1 4.36Å; F85-Y113 AromaticContact CD2-CD1 3.9Å; F85-Y113 HydrophobicContact CD2-CD1 3.9Å; F85-Y113 AromaticContact CD2-CE1 3.7Å; F85-Y113 HydrophobicContact CD2-CE1 3.7Å; F85-Y113 HydrophobicContact CE1-CD1 4.12Å; F85-Y113 HydrophobicContact CE2-CD1 4.18Å; F85-Y113 HydrophobicContact CE2-CE1 4.24Å; F85-Y113 AromaticContact CG-CD1 3.72Å; F85-Y113 HydrophobicContact CG-CD1 3.72Å; F85-Y113 AromaticContact CG-CE1 3.77Å; F85-Y113 HydrophobicContact CG-CE1 3.77Å; F85-Y113 HydrophobicContact CZ-CD1 4.28Å; I109-Y113 HydrophobicContact CB-CD2 4.49Å; I109-Y113 HydrophobicContact CG2-CD2 3.88Å; I109-Y113 HydrophobicContact CG2-CE2 4.24Å; I109-Y113 WeakPolarHBondContact O-CD2 3.06Å; I109-Y113 PolarHBondContact O-N 2.86Å; Y113-Q116 WeakPolarHBondContact O-CG 3.46Å
114E98.7Very high98.5Very high63 Ų6333.8 Ų33.829%0.29415%0.153SC..Iπ-helixtrans-84.7-49.9-176.6178.9177.9-128.200111.4I51 Q53 V54 R110I51-E114 WeakPolarHBondContact CG2-OE1 3.37Å; Q53-E114 PolarHBondContact NE2-OE1 3.47Å; Q53-E114 VanDerWaalsContact NE2-OE1 3.16Å; V54-E114 HydrophobicContact CG2-CB 4.27Å; V54-E114 HydrophobicContact CG2-CG 4.33Å; R110-E114 HydrophobicContact CB-CB 4.38Å; R110-E114 WeakPolarHBondContact CB-OE2 3.37Å; R110-E114 WeakPolarHBondContact CD-OE2 3.42Å; R110-E114 VanDerWaalsContact CG-OE2 3.26Å; R110-E114 WeakPolarHBondContact CG-OE2 3.45Å; R110-E114 IonicContact CZ-OE2 3.12Å; R110-E114 IonicContact NE-OE2 2.87Å; R110-E114 VanDerWaalsContact NH1-CD 3.31Å; R110-E114 IonicContact NH1-OE1 2.76Å; R110-E114 PolarHBondContact NH1-OE1 2.88Å; R110-E114 VanDerWaalsContact NH1-OE1 3.12Å; R110-E114 IonicContact NH1-OE2 3.27Å; R110-E114 PolarHBondContact NH1-OE2 3.03Å; R110-E114 WeakPolarHBondContact O-CB 3.38Å; R110-E114 PolarHBondContact O-N 2.95Å; R110-E114 VanDerWaalsContact O-N 3.07Å
115R98.7Very high98.5Very high41 Ų4138.7 Ų38.716%0.15518%0.175CC..SBendtrans-91.5-22-178.7-59.3-171.5-58.7-99.45.2112.7Q107 R110 E117 K123Q107-R115 PolarHBondContact O-NH2 3.27Å; R110-R115 PolarHBondContact O-N 3.35Å; R115-E117 VanDerWaalsContact C-N 3.26Å; R115-E117 HydrophobicContact CB-CG 3.87Å; R115-E117 IonicContact CZ-OE1 3.76Å; R115-E117 IonicContact NE-OE1 3.73Å; R115-E117 PolarHBondContact NE-OE1 2.9Å; R115-E117 IonicContact NH2-OE1 3.74Å; R115-E117 PolarHBondContact NH2-OE1 3.11Å; R115-E117 PolarHBondContact O-N 2.88Å; R115-K123 VanDerWaalsContact O-CD 3.23Å; R115-K123 WeakPolarHBondContact O-CD 3.49Å; R115-K123 PolarHBondContact O-NZ 3.26Å
116Q98.7Very high98.4Very high52 Ų5239.6 Ų39.624%0.24319%0.186CC..  trans55.539.6178-60-177.7-30.300112.7A111 K112 Y113 F118 I119 Y120A111-Q116 CarbonylContact O-C 3.49Å; A111-Q116 WeakPolarHBondContact O-CA 3.39Å; A111-Q116 PolarHBondContact O-N 3.45Å; K112-Q116 WeakPolarHBondContact O-CA 3.38Å; Y113-Q116 WeakPolarHBondContact O-CG 3.46Å; Q116-F118 PolarHBondContact O-N 3.45Å; Q116-I119 HydrophobicContact CB-CB 4.3Å; Q116-I119 HydrophobicContact CB-CD1 4.13Å; Q116-I119 HydrophobicContact CB-CG1 4.36Å; Q116-I119 HydrophobicContact CG-CD1 4.26Å; Q116-I119 PolarHBondContact O-N 3.07Å; Q116-I119 VanDerWaalsContact O-N 3.08Å; Q116-Y120 HydrophobicContact CB-CD2 3.84Å; Q116-Y120 HydrophobicContact CB-CE2 3.98Å; Q116-Y120 WeakPolarHBondContact O-CD2 3.12Å; Q116-Y120 PolarHBondContact O-N 3.34Å; Q116-Y120 VanDerWaalsContact O-N 3.12Å
117E98.8Very high98.4Very high2 Ų238.2 Ų38.21%0.00918%0.179CC..THydrogen-bonded Turntrans-61.5-30.2-174.7-62.9-177.6-169.600112.3A111 R115 I119 Y120 K123 Q124 Y127 K216A111-E117 HydrophobicContact CB-CG 4.4Å; A111-E117 PolarHBondContact O-N 3.45Å; R115-E117 VanDerWaalsContact C-N 3.26Å; R115-E117 HydrophobicContact CB-CG 3.87Å; R115-E117 IonicContact CZ-OE1 3.76Å; R115-E117 IonicContact NE-OE1 3.73Å; R115-E117 PolarHBondContact NE-OE1 2.9Å; R115-E117 IonicContact NH2-OE1 3.74Å; R115-E117 PolarHBondContact NH2-OE1 3.11Å; R115-E117 PolarHBondContact O-N 2.88Å; E117-I119 VanDerWaalsContact C-N 3.33Å; E117-Y120 CarbonylContact O-C 3.56Å; E117-Y120 VanDerWaalsContact O-O 3.09Å; E117-K123 HydrophobicContact CB-CB 4.45Å; E117-K123 HydrophobicContact CG-CB 4.19Å; E117-Q124 WeakPolarHBondContact O-CG 3.48Å; E117-Q124 PolarHBondContact O-NE2 2.58Å; E117-Y127 WeakPolarHBondContact OE2-CE1 3.46Å; E117-Y127 PolarHBondContact OE2-OH 3.09Å; E117-K216 IonicContact OE1-NZ 2.77Å; E117-K216 PolarHBondContact OE1-NZ 3.38Å
118F98.8Very high98.4Very high0 Ų039.1 Ų39.10%019%0.187CC..THydrogen-bonded Turntrans-936.8-179.1-38.7-61.2000113.6F85 S87 K88 V89 Y93 W108 A111 K112 Q116F85-F118 WeakPolarHBondContact O-CB 3.32Å; F85-F118 WeakPolarHBondContact O-CD2 3.37Å; S87-F118 PolarHBondContact OG-O 3.32Å; K88-F118 WeakPolarHBondContact CB-O 3.49Å; K88-F118 PolarHBondContact N-O 3.44Å; V89-F118 HydrophobicContact CB-CD1 4.24Å; V89-F118 HydrophobicContact CB-CG 4.44Å; V89-F118 HydrophobicContact CG1-CD1 4.49Å; V89-F118 HydrophobicContact CG1-CE1 4.44Å; V89-F118 HydrophobicContact CG2-CB 3.82Å; V89-F118 HydrophobicContact CG2-CD1 3.79Å; V89-F118 HydrophobicContact CG2-CD2 3.89Å; V89-F118 HydrophobicContact CG2-CE1 4.32Å; V89-F118 HydrophobicContact CG2-CE2 4.4Å; V89-F118 HydrophobicContact CG2-CG 3.53Å; Y93-F118 HydrophobicContact CD1-CE1 4.39Å; Y93-F118 HydrophobicContact CD1-CZ 4.15Å; Y93-F118 AromaticContact CD2-CE1 3.98Å; Y93-F118 HydrophobicContact CD2-CE1 3.98Å; Y93-F118 HydrophobicContact CD2-CZ 4.36Å; Y93-F118 HydrophobicContact CE1-CE1 4.43Å; Y93-F118 AromaticContact CE1-CZ 3.88Å; Y93-F118 HydrophobicContact CE1-CZ 3.88Å; Y93-F118 AromaticContact CE2-CE1 3.99Å; Y93-F118 HydrophobicContact CE2-CE1 3.99Å; Y93-F118 HydrophobicContact CE2-CZ 4.08Å; Y93-F118 HydrophobicContact CG-CE1 4.18Å; Y93-F118 HydrophobicContact CG-CZ 4.39Å; Y93-F118 AromaticContact CZ-CZ 3.83Å; W108-F118 AromaticContact CE3-CE2 3.91Å; W108-F118 HydrophobicContact CE3-CE2 3.91Å; W108-F118 AromaticContact CE3-CZ 3.98Å; W108-F118 HydrophobicContact CE3-CZ 3.98Å; W108-F118 HydrophobicContact CH2-CE2 4.14Å; W108-F118 HydrophobicContact CH2-CZ 4.49Å; W108-F118 HydrophobicContact CZ3-CD2 4.41Å; W108-F118 HydrophobicContact CZ3-CE1 4.49Å; W108-F118 AromaticContact CZ3-CE2 3.5Å; W108-F118 HydrophobicContact CZ3-CE2 3.5Å; W108-F118 VanDerWaalsContact CZ3-CE2 3.5Å; W108-F118 AromaticContact CZ3-CZ 3.55Å; W108-F118 HydrophobicContact CZ3-CZ 3.55Å; A111-F118 HydrophobicContact CB-CE2 3.73Å; A111-F118 HydrophobicContact CB-CZ 3.75Å; K112-F118 HydrophobicContact CB-CD2 4.49Å; K112-F118 HydrophobicContact CB-CE2 4.49Å; K112-F118 HydrophobicContact CG-CD2 3.75Å; K112-F118 HydrophobicContact CG-CE2 3.62Å; Q116-F118 PolarHBondContact O-N 3.45Å
119I98.5Very high98.3Very high30 Ų3041.5 Ų41.515%0.15421%0.208CC..THydrogen-bonded Turntrans-99.8-45.7165.7-59.7-177.2000108.7R84 F85 K88 Q116 E117 P121R84-I119 HydrophobicContact CG-CD1 4.27Å; R84-I119 WeakPolarHBondContact O-CG1 3.41Å; F85-I119 HydrophobicContact CD1-CD1 3.81Å; F85-I119 HydrophobicContact CE1-CD1 4.16Å; K88-I119 PolarHBondContact NZ-O 3.34Å; Q116-I119 HydrophobicContact CB-CB 4.3Å; Q116-I119 HydrophobicContact CB-CD1 4.13Å; Q116-I119 HydrophobicContact CB-CG1 4.36Å; Q116-I119 HydrophobicContact CG-CD1 4.26Å; Q116-I119 PolarHBondContact O-N 3.07Å; Q116-I119 VanDerWaalsContact O-N 3.08Å; E117-I119 VanDerWaalsContact C-N 3.33Å; I119-P121 VanDerWaalsContact O-CD 3.29Å; I119-P121 WeakPolarHBondContact O-CD 3.5Å
120Y98.5Very high98.2Very high102 Ų10242.4 Ų42.440%0.422%0.217SC..  trans-108.587.9-175.5-59-66.7000110.8Q116 E117 E122 K123Q116-Y120 HydrophobicContact CB-CD2 3.84Å; Q116-Y120 HydrophobicContact CB-CE2 3.98Å; Q116-Y120 WeakPolarHBondContact O-CD2 3.12Å; Q116-Y120 PolarHBondContact O-N 3.34Å; Q116-Y120 VanDerWaalsContact O-N 3.12Å; E117-Y120 CarbonylContact O-C 3.56Å; E117-Y120 VanDerWaalsContact O-O 3.09Å; Y120-E122 WeakPolarHBondContact CA-OE2 3.48Å; Y120-E122 WeakPolarHBondContact CB-OE1 3.28Å; Y120-E122 PolarHBondContact O-N 3.16Å; Y120-K123 WeakPolarHBondContact O-CB 3.44Å; Y120-K123 PolarHBondContact O-N 3.33Å
121P95.5Very high98.2Very high51 Ų5145.9 Ų45.933%0.33123%0.231SC..G310 helixtrans-63.9-21.6-170.827.8-36000113.9K88 I119 K123 Q124K88-P121 HydrophobicContact CD-CB 4.26Å; K88-P121 HydrophobicContact CD-CG 3.98Å; I119-P121 VanDerWaalsContact O-CD 3.29Å; I119-P121 WeakPolarHBondContact O-CD 3.5Å; P121-K123 PolarHBondContact O-N 2.85Å; P121-K123 VanDerWaalsContact O-N 3.14Å; P121-Q124 WeakPolarHBondContact O-CA 3.24Å; P121-Q124 WeakPolarHBondContact O-CB 3.48Å; P121-Q124 WeakPolarHBondContact O-CG 3.43Å; P121-Q124 PolarHBondContact O-N 2.8Å
122E97.5Very high98.2Very high116 Ų11646.8 Ų46.854%0.54224%0.235SC..G310 helixtrans-58.9-24.3172.666.3-84.3-163.200112.7Y120 Q124 E125Y120-E122 WeakPolarHBondContact CA-OE2 3.48Å; Y120-E122 WeakPolarHBondContact CB-OE1 3.28Å; Y120-E122 PolarHBondContact O-N 3.16Å; E122-Q124 PolarHBondContact O-N 3.03Å; E122-E125 WeakPolarHBondContact O-CG 3.42Å
123K98.4Very high98.2Very high90 Ų9050.9 Ų50.939%0.39125%0.254SS..G310 helixtrans-75.2-8.9174-63.2-177.3173.91720113.2R115 E117 Y120 P121 P126R115-K123 VanDerWaalsContact O-CD 3.23Å; R115-K123 WeakPolarHBondContact O-CD 3.49Å; R115-K123 PolarHBondContact O-NZ 3.26Å; E117-K123 HydrophobicContact CB-CB 4.45Å; E117-K123 HydrophobicContact CG-CB 4.19Å; Y120-K123 WeakPolarHBondContact O-CB 3.44Å; Y120-K123 PolarHBondContact O-N 3.33Å; P121-K123 PolarHBondContact O-N 2.85Å; P121-K123 VanDerWaalsContact O-N 3.14Å; K123-P126 WeakPolarHBondContact O-CD 3.19Å
124Q98.5Very high98.1Very high17 Ų1751.7 Ų51.78%0.07926%0.262CS..G310 helixtrans-90.9-13.6179.4-50175.84.900112.2K88 P90 E117 P121 E122 P126 Y127 S128K88-Q124 PolarHBondContact O-NE2 2.92Å; P90-Q124 VanDerWaalsContact CG-OE1 3.24Å; E117-Q124 WeakPolarHBondContact O-CG 3.48Å; E117-Q124 PolarHBondContact O-NE2 2.58Å; P121-Q124 WeakPolarHBondContact O-CA 3.24Å; P121-Q124 WeakPolarHBondContact O-CB 3.48Å; P121-Q124 WeakPolarHBondContact O-CG 3.43Å; P121-Q124 PolarHBondContact O-N 2.8Å; E122-Q124 PolarHBondContact O-N 3.03Å; Q124-P126 VanDerWaalsContact C-N 3.3Å; Q124-Y127 HydrophobicContact CB-CE2 3.71Å; Q124-Y127 HydrophobicContact CG-CE2 4.26Å; Q124-Y127 WeakPolarHBondContact O-CD2 3.32Å; Q124-Y127 PolarHBondContact O-N 2.94Å; Q124-Y127 VanDerWaalsContact O-N 3.09Å; Q124-S128 VanDerWaalsContact O-CB 3.22Å; Q124-S128 WeakPolarHBondContact O-CB 3.4Å; Q124-S128 PolarHBondContact O-N 2.97Å; Q124-S128 PolarHBondContact O-OG 3.33Å
125E97.9Very high98.1Very high112 Ų11252.7 Ų52.752%0.52327%0.266SS..Hα-helixtrans-46.6-42.9177.2-74-61.9127.600113.9E122 Y127 S128 A129E122-E125 WeakPolarHBondContact O-CG 3.42Å; E125-Y127 PolarHBondContact O-N 2.75Å; E125-S128 PolarHBondContact O-N 3.32Å; E125-A129 WeakPolarHBondContact O-CB 3.48Å; E125-A129 PolarHBondContact O-N 3Å
126P98.1Very high98.1Very high56 Ų5650.8 Ų50.836%0.36426%0.259SS..Hα-helixtrans-57.7-19.3-178.6-26.836.6000115.7K123 Q124 R132K123-P126 WeakPolarHBondContact O-CD 3.19Å; Q124-P126 VanDerWaalsContact C-N 3.3Å; P126-R132 WeakPolarHBondContact O-CD 3.45Å; P126-R132 PolarHBondContact O-NH1 3.09Å
127Y98.3Very high98.1Very high5 Ų552.9 Ų52.92%0.0227%0.265CS..Hα-helixtrans-129.21.6178.154.9-106000114.4F92 Y93 E117 Q124 E125 D220 A224F92-Y127 HydrophobicContact CE2-CD2 4.1Å; F92-Y127 HydrophobicContact CE2-CE2 4.49Å; Y93-Y127 AromaticContact CD2-CE2 3.83Å; Y93-Y127 HydrophobicContact CD2-CE2 3.83Å; Y93-Y127 HydrophobicContact CE2-CE1 4.21Å; Y93-Y127 AromaticContact CE2-CE2 3.9Å; Y93-Y127 HydrophobicContact CE2-CE2 3.9Å; Y93-Y127 AromaticContact CE2-CZ 3.64Å; E117-Y127 WeakPolarHBondContact OE2-CE1 3.46Å; E117-Y127 PolarHBondContact OE2-OH 3.09Å; Q124-Y127 HydrophobicContact CB-CE2 3.71Å; Q124-Y127 HydrophobicContact CG-CE2 4.26Å; Q124-Y127 WeakPolarHBondContact O-CD2 3.32Å; Q124-Y127 PolarHBondContact O-N 2.94Å; Q124-Y127 VanDerWaalsContact O-N 3.09Å; E125-Y127 PolarHBondContact O-N 2.75Å; Y127-D220 WeakPolarHBondContact CB-O 3.34Å; Y127-D220 HydrophobicContact CD1-CB 4Å; Y127-A224 WeakPolarHBondContact O-CA 3.4Å
128S98Very high98.1Very high32 Ų3253.4 Ų53.422%0.22427%0.267CS..Hα-helixtrans-116.1-13.9-176.2-49.70000113.8Q124 E125 G130Q124-S128 VanDerWaalsContact O-CB 3.22Å; Q124-S128 WeakPolarHBondContact O-CB 3.4Å; Q124-S128 PolarHBondContact O-N 2.97Å; Q124-S128 PolarHBondContact O-OG 3.33Å; E125-S128 PolarHBondContact O-N 3.32Å; S128-G130 PolarHBondContact O-N 2.76Å
129A97.4Very high98Very high56 Ų5655.6 Ų55.646%0.46328%0.275SS..SBendtrans-74.3-0.7-174.900000115.4E125 Y131E125-A129 WeakPolarHBondContact O-CB 3.48Å; E125-A129 PolarHBondContact O-N 3Å; A129-Y131 PolarHBondContact O-N 3.24Å; A129-Y131 VanDerWaalsContact O-N 3.16Å
130G97.5Very high97.9Very high18 Ų1855 Ų5519%0.18628%0.277CS..SBendtrans70.13.8-175.800000115.3S128 E155S128-G130 PolarHBondContact O-N 2.76Å; G130-E155 VanDerWaalsContact CA-CD 3.43Å; G130-E155 PolarHBondContact O-N 2.83Å
131Y98.7Very high97.7Very high117 Ų11756.8 Ų56.846%0.45928%0.283SS..EExtended strand (participates in β ladder)trans-137.8130.6171.4-176.1-89.8000109.9A129 E133 V152 L153A129-Y131 PolarHBondContact O-N 3.24Å; A129-Y131 VanDerWaalsContact O-N 3.16Å; Y131-E133 HydrophobicContact CE1-CB 4.14Å; Y131-E133 HydrophobicContact CE1-CG 3.94Å; Y131-E133 PolarHBondContact OH-OE2 3.4Å; Y131-V152 HydrophobicContact CD2-CG1 4.44Å; Y131-V152 HydrophobicContact CE2-CG1 3.59Å; Y131-L153 WeakPolarHBondContact CA-O 3.32Å
132R98.6Very high97.3Very high19 Ų1960.9 Ų60.97%0.07230%0.302CS..EExtended strand (participates in β ladder)trans-144.1132.3173.5-175.5175.3175.572.54109.9P126 V152 L153 E217 W221P126-R132 WeakPolarHBondContact O-CD 3.45Å; P126-R132 PolarHBondContact O-NH1 3.09Å; R132-V152 CarbonylContact O-C 3.49Å; R132-V152 WeakPolarHBondContact O-CA 3.24Å; R132-L153 PolarHBondContact N-O 3.21Å; R132-L153 PolarHBondContact O-N 3.15Å; R132-E217 IonicContact CZ-OE2 3.68Å; R132-E217 PolarHBondContact NH2-O 3.12Å; R132-E217 IonicContact NH2-OE2 3.75Å; R132-E217 PolarHBondContact NH2-OE2 2.92Å; R132-W221 HydrophobicContact CB-CH2 4.38Å; R132-W221 HydrophobicContact CB-CZ3 4.33Å; R132-W221 HydrophobicContact CG-CD2 4.28Å; R132-W221 HydrophobicContact CG-CE3 4.28Å; R132-W221 HydrophobicContact CG-CH2 4.01Å; R132-W221 HydrophobicContact CG-CZ2 4.01Å; R132-W221 HydrophobicContact CG-CZ3 4.15Å; R132-W221 WeakPolarHBondContact O-CH2 3.5Å
133E98.1Very high96.9Very high87 Ų8759.3 Ų59.341%0.40730%0.298SS..EExtended strand (participates in β ladder)trans-131.2156.217168.7169.8-126.800111.8Y131 K150 F151 V152Y131-E133 HydrophobicContact CE1-CB 4.14Å; Y131-E133 HydrophobicContact CE1-CG 3.94Å; Y131-E133 PolarHBondContact OH-OE2 3.4Å; E133-K150 VanDerWaalsContact CD-CE 3.41Å; E133-K150 VanDerWaalsContact OE1-CE 3.27Å; E133-K150 WeakPolarHBondContact OE1-CE 3.26Å; E133-K150 IonicContact OE1-NZ 2.94Å; E133-K150 PolarHBondContact OE1-NZ 2.91Å; E133-K150 WeakPolarHBondContact OE2-CE 3.37Å; E133-K150 IonicContact OE2-NZ 2.58Å; E133-K150 PolarHBondContact OE2-NZ 2.79Å; E133-F151 VanDerWaalsContact CA-O 3.23Å; E133-F151 WeakPolarHBondContact CA-O 3.39Å; E133-V152 HydrophobicContact CB-CG2 3.94Å
134G97.9Very high96.6Very high19 Ų1956.9 Ų56.920%0.19630%0.298CS..EExtended strand (participates in β ladder)trans167.9171.2-17800000112.3K150 F151G134-K150 WeakPolarHBondContact O-CA 3.45Å; G134-F151 PolarHBondContact N-O 2.84Å; G134-F151 VanDerWaalsContact N-O 3.09Å; G134-F151 PolarHBondContact O-N 2.89Å
135F98.1Very high96.4Very high84 Ų8461.6 Ų61.637%0.36832%0.32SS..EExtended strand (participates in β ladder)trans-93.9132.7178.8-73.9-83.2000110.6S148 R149 K150 N166 H212F135-S148 WeakPolarHBondContact CD1-OG 3.46Å; F135-R149 WeakPolarHBondContact CA-O 3.46Å; F135-K150 HydrophobicContact CD1-CB 4.25Å; F135-K150 HydrophobicContact CE1-CB 3.7Å; F135-K150 HydrophobicContact CZ-CB 3.96Å; F135-K150 HydrophobicContact CZ-CG 4.36Å; F135-N166 WeakPolarHBondContact CE1-OD1 3.48Å; F135-N166 WeakPolarHBondContact CZ-ND2 3.43Å; F135-N166 WeakPolarHBondContact CZ-OD1 3.46Å; F135-H212 PolarHBondContact O-CD2 3.18Å
136L98.6Very high96.5Very high2 Ų258.4 Ų58.41%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-127.5143.4172.7-66173.7000109.5K138 R149 F151 I210 H212 I218 W221L136-K138 PolarHBondContact O-N 3.26Å; L136-R149 PolarHBondContact N-O 2.88Å; L136-R149 PolarHBondContact O-N 2.75Å; L136-F151 HydrophobicContact CB-CD2 3.83Å; L136-F151 HydrophobicContact CB-CE2 3.94Å; L136-F151 HydrophobicContact CD1-CB 4.4Å; L136-F151 HydrophobicContact CD1-CD2 4Å; L136-F151 HydrophobicContact CD1-CE2 4.43Å; L136-F151 HydrophobicContact CD1-CG 4.14Å; L136-F151 HydrophobicContact CG-CD2 4.22Å; L136-I210 HydrophobicContact CB-CB 4.49Å; L136-I210 HydrophobicContact CD1-CD1 3.94Å; L136-H212 HydrophobicContact CD2-CB 3.8Å; L136-I218 HydrophobicContact CD2-CD1 3.92Å; L136-W221 HydrophobicContact CD1-CD2 4.05Å; L136-W221 HydrophobicContact CD1-CG 4.13Å
137W98.6Very high96.4Very high96 Ų9658.6 Ų58.636%0.36430%0.302SS..EExtended strand (participates in β ladder)trans-72.9112.8170-73.3103.8000108.3F146 I210 Y211W137-F146 HydrophobicContact CB-CB 4.36Å; W137-F146 HydrophobicContact CB-CD1 4.38Å; W137-F146 HydrophobicContact CE3-CB 4.28Å; W137-I210 CarbonylContact O-C 3.59Å; W137-I210 WeakPolarHBondContact O-CA 3.47Å; W137-Y211 HydrophobicContact CB-CD1 3.71Å; W137-Y211 HydrophobicContact CB-CD2 4.01Å; W137-Y211 HydrophobicContact CB-CE1 3.34Å; W137-Y211 HydrophobicContact CB-CE2 3.66Å; W137-Y211 HydrophobicContact CB-CG 4.02Å; W137-Y211 AromaticContact CD1-CE2 3.36Å; W137-Y211 AromaticContact CD1-CZ 3.67Å; W137-Y211 HydrophobicContact CG-CD2 4.32Å; W137-Y211 HydrophobicContact CG-CE1 4.01Å; W137-Y211 AromaticContact CG-CE2 3.61Å; W137-Y211 HydrophobicContact CG-CE2 3.61Å; W137-Y211 AromaticContact CG-CZ 3.42Å; W137-Y211 VanDerWaalsContact CG-CZ 3.42Å; W137-Y211 PolarHBondContact N-O 2.72Å; W137-Y211 PolarHBondContact O-N 2.97Å
138K98.4Very high96.3Very high13 Ų1360.8 Ų60.86%0.05732%0.318CS..EExtended strand (participates in β ladder)trans-113.5128.1-175.3-174-163.6172.6-64.30110.8L136 G140 F146 L147 R149 F151 Y162 I208 I210L136-K138 PolarHBondContact O-N 3.26Å; K138-G140 PolarHBondContact O-N 3.1Å; K138-F146 WeakPolarHBondContact O-CA 3.1Å; K138-L147 PolarHBondContact N-O 3.41Å; K138-L147 PolarHBondContact O-N 3.19Å; K138-R149 HydrophobicContact CB-CB 4.25Å; K138-R149 HydrophobicContact CB-CG 3.82Å; K138-R149 HydrophobicContact CD-CG 4.05Å; K138-F151 HydrophobicContact CB-CE2 4.14Å; K138-F151 HydrophobicContact CB-CZ 4.34Å; K138-F151 HydrophobicContact CD-CE2 4.25Å; K138-F151 HydrophobicContact CD-CZ 3.85Å; K138-F151 HydrophobicContact CG-CE2 4.39Å; K138-F151 HydrophobicContact CG-CZ 4.09Å; K138-Y162 HydrophobicContact CD-CD2 4.22Å; K138-Y162 HydrophobicContact CD-CE2 4.12Å; K138-I208 HydrophobicContact CD-CG2 4.42Å; K138-I208 HydrophobicContact CG-CG2 4.18Å; K138-I210 HydrophobicContact CB-CG2 3.86Å; K138-I210 HydrophobicContact CG-CG2 3.78Å
139R97.9Very high96.3Very high45 Ų4562 Ų6217%0.1732%0.317CS..EExtended strand (participates in β ladder)trans-62.4130.1171.9-161.9174.9178.7-4.3-7111.3G144 Q145 F146 F209R139-G144 VanDerWaalsContact NH1-N 3.1Å; R139-G144 PolarHBondContact NH1-O 2.8Å; R139-Q145 CarbonylContact C-O 3.36Å; R139-Q145 WeakPolarHBondContact CA-O 3.03Å; R139-F146 HydrophobicContact CB-CD1 3.97Å; R139-F146 HydrophobicContact CB-CD2 4.44Å; R139-F146 HydrophobicContact CB-CE1 3.62Å; R139-F146 HydrophobicContact CB-CE2 4.11Å; R139-F146 HydrophobicContact CB-CG 4.37Å; R139-F146 HydrophobicContact CB-CZ 3.68Å; R139-F146 HydrophobicContact CG-CD2 4.37Å; R139-F146 HydrophobicContact CG-CE1 4.35Å; R139-F146 HydrophobicContact CG-CE2 3.95Å; R139-F146 HydrophobicContact CG-CZ 3.93Å; R139-F146 VanDerWaalsContact N-CD1 3.32Å; R139-F209 HydrophobicContact CB-CB 3.85Å; R139-F209 WeakPolarHBondContact CB-O 3.28Å; R139-F209 PolarHBondContact N-O 2.94Å
140G96Very high96.4Very high19 Ų1961.7 Ų61.720%0.19631%0.306CS..  trans-66.4159.9169.400000111.6K138 N143 Q145K138-G140 PolarHBondContact O-N 3.1Å; G140-N143 VanDerWaalsContact CA-OD1 3.31Å; G140-N143 WeakPolarHBondContact CA-OD1 3.33Å; G140-Q145 PolarHBondContact N-O 2.85Å
141R93.2Very high96.4Very high139 Ų13960.9 Ų60.953%0.52530%0.297SS..SBendtrans-62.9-49.7-171.5-175.7-169.9167.8169.73.6112.2A291R141-A291 HydrophobicContact CG-CB 3.69Å
142D87.2Confident96.4Very high136 Ų13655.9 Ų55.973%0.72728%0.279SS*.SBendtrans-128.4-9.2-169.2-48.7-65.5000112.8
143N90Very high96.4Very high84 Ų8455.2 Ų55.245%0.44928%0.276SS..SBendtrans-99.95.9-163.972-16.8000115.6G140 Q145G140-N143 VanDerWaalsContact CA-OD1 3.31Å; G140-N143 WeakPolarHBondContact CA-OD1 3.33Å; N143-Q145 PolarHBondContact O-N 3.37Å; N143-Q145 PolarHBondContact OD1-N 2.88Å
144G90.6Very high96.4Very high38 Ų3851.5 Ų51.539%0.39226%0.26SS..  trans83.4-41.2-17800000114.2R139R139-G144 VanDerWaalsContact NH1-N 3.1Å; R139-G144 PolarHBondContact NH1-O 2.8Å
145Q96.4Very high96.4Very high116 Ų11653.1 Ų53.154%0.54226%0.262SS..  trans-79.2144.9-161.7-64.3175.4-8.900115.1R139 G140 N143R139-Q145 CarbonylContact C-O 3.36Å; R139-Q145 WeakPolarHBondContact CA-O 3.03Å; G140-Q145 PolarHBondContact N-O 2.85Å; N143-Q145 PolarHBondContact O-N 3.37Å; N143-Q145 PolarHBondContact OD1-N 2.88Å
146F97.9Very high96.4Very high46 Ų4660.6 Ų60.620%0.20229%0.288CS..EExtended strand (participates in β ladder)trans-93.6133165-74-101.8000109.6W137 K138 R139 I189 F209 Y211W137-F146 HydrophobicContact CB-CB 4.36Å; W137-F146 HydrophobicContact CB-CD1 4.38Å; W137-F146 HydrophobicContact CE3-CB 4.28Å; K138-F146 WeakPolarHBondContact O-CA 3.1Å; R139-F146 HydrophobicContact CB-CD1 3.97Å; R139-F146 HydrophobicContact CB-CD2 4.44Å; R139-F146 HydrophobicContact CB-CE1 3.62Å; R139-F146 HydrophobicContact CB-CE2 4.11Å; R139-F146 HydrophobicContact CB-CG 4.37Å; R139-F146 HydrophobicContact CB-CZ 3.68Å; R139-F146 HydrophobicContact CG-CD2 4.37Å; R139-F146 HydrophobicContact CG-CE1 4.35Å; R139-F146 HydrophobicContact CG-CE2 3.95Å; R139-F146 HydrophobicContact CG-CZ 3.93Å; R139-F146 VanDerWaalsContact N-CD1 3.32Å; F146-I189 HydrophobicContact CE1-CG2 4.39Å; F146-I189 HydrophobicContact CZ-CG2 3.9Å; F146-F209 HydrophobicContact CE1-CB 4.49Å; F146-Y211 HydrophobicContact CB-CE1 3.96Å; F146-Y211 AromaticContact CD1-CD1 3.53Å; F146-Y211 HydrophobicContact CD1-CD1 3.53Å; F146-Y211 AromaticContact CD1-CE1 3.38Å; F146-Y211 HydrophobicContact CD1-CE1 3.38Å; F146-Y211 HydrophobicContact CD2-CE1 4.34Å; F146-Y211 AromaticContact CE1-CD1 3.63Å; F146-Y211 HydrophobicContact CE1-CD1 3.63Å; F146-Y211 AromaticContact CE1-CE1 3.89Å; F146-Y211 HydrophobicContact CE1-CE1 3.89Å; F146-Y211 HydrophobicContact CG-CD1 4.25Å; F146-Y211 AromaticContact CG-CE1 3.64Å; F146-Y211 HydrophobicContact CG-CE1 3.64Å; F146-Y211 HydrophobicContact CZ-CD1 4.43Å
147L96.9Very high96.3Very high60 Ų6065.7 Ų65.731%0.31431%0.312SS..EExtended strand (participates in β ladder)trans-132.1142.9178.3-62171.3000109.2K138 R149K138-L147 PolarHBondContact N-O 3.41Å; K138-L147 PolarHBondContact O-N 3.19Å; L147-R149 VanDerWaalsContact CB-NH1 3.28Å; L147-R149 PolarHBondContact O-N 3.4Å
148S97.3Very high96.2Very high50 Ų5062.5 Ų62.535%0.3531%0.308SS..EExtended strand (participates in β ladder)trans-63.7129.7177.3-178.10000111.3F135F135-S148 WeakPolarHBondContact CD1-OG 3.46Å
149R97.9Very high96.2Very high58 Ų5862 Ų6222%0.21931%0.306CS..EExtended strand (participates in β ladder)trans-137136.2-178.9-62.7-67.2177.7-1015.9109.6F135 L136 K138 L147 F151 F163F135-R149 WeakPolarHBondContact CA-O 3.46Å; L136-R149 PolarHBondContact N-O 2.88Å; L136-R149 PolarHBondContact O-N 2.75Å; K138-R149 HydrophobicContact CB-CB 4.25Å; K138-R149 HydrophobicContact CB-CG 3.82Å; K138-R149 HydrophobicContact CD-CG 4.05Å; L147-R149 VanDerWaalsContact CB-NH1 3.28Å; L147-R149 PolarHBondContact O-N 3.4Å; R149-F151 HydrophobicContact CB-CD2 4.27Å; R149-F151 HydrophobicContact CB-CE2 3.88Å; R149-F151 WeakPolarHBondContact O-CD2 3.37Å; R149-F151 PolarHBondContact O-N 2.86Å; R149-F163 WeakPolarHBondContact CD-O 3.36Å
150K97.8Very high96.3Very high50 Ų5060 Ų6022%0.21730%0.299CS..EExtended strand (participates in β ladder)trans-72.1122.8170.3-171175.2-177.11760108.6E133 G134 F135 V152 Y162 F163E133-K150 VanDerWaalsContact CD-CE 3.41Å; E133-K150 VanDerWaalsContact OE1-CE 3.27Å; E133-K150 WeakPolarHBondContact OE1-CE 3.26Å; E133-K150 IonicContact OE1-NZ 2.94Å; E133-K150 PolarHBondContact OE1-NZ 2.91Å; E133-K150 WeakPolarHBondContact OE2-CE 3.37Å; E133-K150 IonicContact OE2-NZ 2.58Å; E133-K150 PolarHBondContact OE2-NZ 2.79Å; G134-K150 WeakPolarHBondContact O-CA 3.45Å; F135-K150 HydrophobicContact CD1-CB 4.25Å; F135-K150 HydrophobicContact CE1-CB 3.7Å; F135-K150 HydrophobicContact CZ-CB 3.96Å; F135-K150 HydrophobicContact CZ-CG 4.36Å; K150-V152 HydrophobicContact CG-CG2 4.47Å; K150-Y162 CarbonylContact O-C 3.45Å; K150-Y162 WeakPolarHBondContact O-CA 3.39Å; K150-Y162 WeakPolarHBondContact O-CB 3.26Å; K150-F163 HydrophobicContact CB-CB 4.47Å; K150-F163 HydrophobicContact CB-CD2 4.5Å; K150-F163 PolarHBondContact O-N 2.68Å
151F98.6Very high96.4Very high1 Ų160.6 Ų60.60%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-104.9148168.3-78.6-103000109.6E133 G134 L136 K138 R149 L160 K161 Y162 M175 I208 I210 W221E133-F151 VanDerWaalsContact CA-O 3.23Å; E133-F151 WeakPolarHBondContact CA-O 3.39Å; G134-F151 PolarHBondContact N-O 2.84Å; G134-F151 VanDerWaalsContact N-O 3.09Å; G134-F151 PolarHBondContact O-N 2.89Å; L136-F151 HydrophobicContact CB-CD2 3.83Å; L136-F151 HydrophobicContact CB-CE2 3.94Å; L136-F151 HydrophobicContact CD1-CB 4.4Å; L136-F151 HydrophobicContact CD1-CD2 4Å; L136-F151 HydrophobicContact CD1-CE2 4.43Å; L136-F151 HydrophobicContact CD1-CG 4.14Å; L136-F151 HydrophobicContact CG-CD2 4.22Å; K138-F151 HydrophobicContact CB-CE2 4.14Å; K138-F151 HydrophobicContact CB-CZ 4.34Å; K138-F151 HydrophobicContact CD-CE2 4.25Å; K138-F151 HydrophobicContact CD-CZ 3.85Å; K138-F151 HydrophobicContact CG-CE2 4.39Å; K138-F151 HydrophobicContact CG-CZ 4.09Å; R149-F151 HydrophobicContact CB-CD2 4.27Å; R149-F151 HydrophobicContact CB-CE2 3.88Å; R149-F151 WeakPolarHBondContact O-CD2 3.37Å; R149-F151 PolarHBondContact O-N 2.86Å; F151-L160 HydrophobicContact CD1-CD1 4.08Å; F151-L160 HydrophobicContact CD1-CD2 4.23Å; F151-L160 HydrophobicContact CD1-CG 4.19Å; F151-L160 HydrophobicContact CE1-CD2 4.45Å; F151-K161 CarbonylContact C-O 3.52Å; F151-K161 VanDerWaalsContact CA-O 3.31Å; F151-K161 WeakPolarHBondContact CA-O 3.49Å; F151-Y162 HydrophobicContact CE1-CD1 4.14Å; F151-Y162 HydrophobicContact CE1-CG 4.14Å; F151-Y162 HydrophobicContact CZ-CD1 4.39Å; F151-Y162 HydrophobicContact CZ-CG 4.16Å; F151-M175 HydrophobicContact CE1-CE 4.41Å; F151-I208 HydrophobicContact CZ-CG2 4.47Å; F151-I210 HydrophobicContact CE2-CG2 4.05Å; F151-I210 HydrophobicContact CZ-CG2 3.71Å; F151-W221 HydrophobicContact CB-CH2 3.62Å; F151-W221 HydrophobicContact CB-CZ2 3.99Å; F151-W221 HydrophobicContact CB-CZ3 4.19Å
152V98.4Very high96.6Very high12 Ų1255 Ų557%0.07328%0.275CS..EExtended strand (participates in β ladder)trans-137.6113.8174.5-178.10000107.8Y131 R132 E133 K150 T154 L160 K161 F163Y131-V152 HydrophobicContact CD2-CG1 4.44Å; Y131-V152 HydrophobicContact CE2-CG1 3.59Å; R132-V152 CarbonylContact O-C 3.49Å; R132-V152 WeakPolarHBondContact O-CA 3.24Å; E133-V152 HydrophobicContact CB-CG2 3.94Å; K150-V152 HydrophobicContact CG-CG2 4.47Å; V152-T154 HydrophobicContact CG1-CG2 4.29Å; V152-L160 CarbonylContact O-C 3.4Å; V152-K161 PolarHBondContact N-O 3.34Å; V152-K161 PolarHBondContact O-N 3.3Å; V152-F163 HydrophobicContact CG2-CD2 4.49Å; V152-F163 HydrophobicContact CG2-CE2 3.89Å
153L98.8Very high97Very high4 Ų450.1 Ų50.12%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-95.8130.2166.8176.863.3000108.4Y131 R132 L160 I177 W221 A224 L225 A228Y131-L153 WeakPolarHBondContact CA-O 3.32Å; R132-L153 PolarHBondContact N-O 3.21Å; R132-L153 PolarHBondContact O-N 3.15Å; L153-L160 HydrophobicContact CB-CD1 3.86Å; L153-L160 HydrophobicContact CD1-CB 4.2Å; L153-L160 HydrophobicContact CD1-CD1 4.38Å; L153-I177 HydrophobicContact CD1-CG1 4.48Å; L153-W221 HydrophobicContact CB-CZ3 3.84Å; L153-A224 VanDerWaalsContact CD2-C 3.44Å; L153-A224 HydrophobicContact CD2-CB 3.84Å; L153-A224 WeakPolarHBondContact CD2-O 3.38Å; L153-L225 HydrophobicContact CD1-CD2 4.01Å; L153-L225 HydrophobicContact CD2-CD2 4.03Å; L153-L225 HydrophobicContact CD2-CG 4.28Å; L153-A228 HydrophobicContact CD1-CB 4Å; L153-A228 HydrophobicContact CD2-CB 4.05Å; L153-A228 HydrophobicContact CG-CB 4.31Å
154T98.2Very high97Very high9 Ų949.3 Ų49.36%0.05524%0.243CC..EExtended strand (participates in β ladder)trans-146.4114.2-177.11640000109.4V152 R156 E157 G158 A159V152-T154 HydrophobicContact CG1-CG2 4.29Å; T154-R156 VanDerWaalsContact C-N 3.32Å; T154-E157 HydrophobicContact CG2-CB 3.93Å; T154-E157 HydrophobicContact CG2-CG 4.11Å; T154-E157 WeakPolarHBondContact CG2-OE2 3.48Å; T154-E157 PolarHBondContact O-N 3.28Å; T154-E157 PolarHBondContact OG1-N 3.02Å; T154-G158 PolarHBondContact O-N 2.63Å; T154-G158 VanDerWaalsContact O-N 3.16Å; T154-A159 PolarHBondContact N-O 2.75Å; T154-A159 PolarHBondContact O-N 3.47Å; T154-A159 VanDerWaalsContact O-N 3.08Å
155E97.8Very high96.7Very high53 Ų5355.5 Ų55.525%0.24826%0.255CS..THydrogen-bonded Turntrans-68.5-34.9177.7-68.3-177.3-171.100111.5G130 E157 G158 A228 H231G130-E155 VanDerWaalsContact CA-CD 3.43Å; G130-E155 PolarHBondContact O-N 2.83Å; E155-E157 PolarHBondContact O-N 2.78Å; E155-G158 PolarHBondContact O-N 2.9Å; E155-A228 HydrophobicContact CG-CB 3.75Å; E155-A228 VanDerWaalsContact OE1-CA 3.26Å; E155-A228 WeakPolarHBondContact OE1-CA 3.41Å; E155-A228 PolarHBondContact OE1-N 2.71Å; E155-H231 IonicContact OE1-CE1 2.96Å; E155-H231 IonicContact OE1-ND1 3.2Å; E155-H231 PolarHBondContact OE1-ND1 3.24Å; E155-H231 VanDerWaalsContact OE1-ND1 3.09Å; E155-H231 IonicContact OE2-CE1 3.74Å; E155-H231 IonicContact OE2-CG 3.21Å; E155-H231 IonicContact OE2-ND1 3.96Å; E155-H231 PolarHBondContact OE2-ND1 2.74Å
156R97.1Very high95.8Very high241 Ų24155.6 Ų55.691%0.90926%0.259SS*.THydrogen-bonded Turntrans-55.3-40.7176.6177.5-178.5-81.4-155-2.5112.1T154T154-R156 VanDerWaalsContact C-N 3.32Å
157E97.1Very high95.2Very high110 Ų11059.6 Ų59.651%0.51428%0.282SS..THydrogen-bonded Turntrans-95.21.6178.1-53.2-179.6123.300112.8T154 E155 A159 K161T154-E157 HydrophobicContact CG2-CB 3.93Å; T154-E157 HydrophobicContact CG2-CG 4.11Å; T154-E157 WeakPolarHBondContact CG2-OE2 3.48Å; T154-E157 PolarHBondContact O-N 3.28Å; T154-E157 PolarHBondContact OG1-N 3.02Å; E155-E157 PolarHBondContact O-N 2.78Å; E157-A159 VanDerWaalsContact C-N 3.31Å; E157-A159 PolarHBondContact O-N 2.79Å; E157-K161 IonicContact OE1-NZ 3.67Å; E157-K161 PolarHBondContact OE1-NZ 3.12Å; E157-K161 WeakPolarHBondContact OE2-CE 3.49Å; E157-K161 IonicContact OE2-NZ 3.82Å; E157-K161 PolarHBondContact OE2-NZ 2.98Å
158G97.6Very high94.7Very high28 Ų2858 Ų5829%0.28928%0.279SS..THydrogen-bonded Turntrans67.125.517800000114.5T154 E155 K176 I177T154-G158 PolarHBondContact O-N 2.63Å; T154-G158 VanDerWaalsContact O-N 3.16Å; E155-G158 PolarHBondContact O-N 2.9Å; G158-K176 WeakPolarHBondContact O-CA 3.37Å; G158-I177 VanDerWaalsContact C-CD1 3.42Å; G158-I177 WeakPolarHBondContact O-CG1 3.36Å; G158-I177 PolarHBondContact O-N 3.39Å
159A98.2Very high94.3Very high2 Ų265.5 Ų65.52%0.01731%0.305CS..EExtended strand (participates in β ladder)trans-148.9151.7-166.800000116.4T154 E157 K161 V174 M175T154-A159 PolarHBondContact N-O 2.75Å; T154-A159 PolarHBondContact O-N 3.47Å; T154-A159 VanDerWaalsContact O-N 3.08Å; E157-A159 VanDerWaalsContact C-N 3.31Å; E157-A159 PolarHBondContact O-N 2.79Å; A159-K161 HydrophobicContact CB-CG 4.38Å; A159-V174 HydrophobicContact CB-CG1 3.65Å; A159-M175 CarbonylContact C-O 3.53Å; A159-M175 VanDerWaalsContact CA-O 3.26Å; A159-M175 WeakPolarHBondContact CA-O 3.28Å
160L98.6Very high94.2Very high3 Ų370.3 Ų70.32%0.01633%0.33CS..EExtended strand (participates in β ladder)trans-96125.2157.6-17970000108.9F151 V152 L153 M175 L180 V197 W221 L225F151-L160 HydrophobicContact CD1-CD1 4.08Å; F151-L160 HydrophobicContact CD1-CD2 4.23Å; F151-L160 HydrophobicContact CD1-CG 4.19Å; F151-L160 HydrophobicContact CE1-CD2 4.45Å; V152-L160 CarbonylContact O-C 3.4Å; L153-L160 HydrophobicContact CB-CD1 3.86Å; L153-L160 HydrophobicContact CD1-CB 4.2Å; L153-L160 HydrophobicContact CD1-CD1 4.38Å; L160-M175 HydrophobicContact CB-CB 4.46Å; L160-M175 HydrophobicContact CB-CE 4Å; L160-M175 HydrophobicContact CD2-CE 3.56Å; L160-M175 HydrophobicContact CG-CE 3.6Å; L160-M175 PolarHBondContact N-O 2.63Å; L160-M175 WeakPolarHBondContact O-CB 3.26Å; L160-M175 VanDerWaalsContact O-CE 3.28Å; L160-M175 WeakPolarHBondContact O-CE 3.48Å; L160-M175 PolarHBondContact O-N 2.66Å; L160-L180 HydrophobicContact CB-CD1 3.59Å; L160-L180 HydrophobicContact CD2-CD1 4.47Å; L160-L180 HydrophobicContact CD2-CD2 4.42Å; L160-V197 HydrophobicContact CD2-CG1 4.37Å; L160-W221 HydrophobicContact CD1-CZ3 3.95Å; L160-L225 HydrophobicContact CB-CD2 4.48Å; L160-L225 HydrophobicContact CD1-CD2 4.35Å; L160-L225 HydrophobicContact CD2-CD2 4.06Å
161K97.9Very high94.1Very high32 Ų3269.9 Ų69.914%0.13933%0.332CS..EExtended strand (participates in β ladder)trans-116.7152.8179.1-57.9-179.3175.6-1780109.7F151 V152 E157 A159 F163 P171 A173 V174F151-K161 CarbonylContact C-O 3.52Å; F151-K161 VanDerWaalsContact CA-O 3.31Å; F151-K161 WeakPolarHBondContact CA-O 3.49Å; V152-K161 PolarHBondContact N-O 3.34Å; V152-K161 PolarHBondContact O-N 3.3Å; E157-K161 IonicContact OE1-NZ 3.67Å; E157-K161 PolarHBondContact OE1-NZ 3.12Å; E157-K161 WeakPolarHBondContact OE2-CE 3.49Å; E157-K161 IonicContact OE2-NZ 3.82Å; E157-K161 PolarHBondContact OE2-NZ 2.98Å; A159-K161 HydrophobicContact CB-CG 4.38Å; K161-F163 HydrophobicContact CB-CE2 4.41Å; K161-P171 HydrophobicContact CB-CB 4.08Å; K161-P171 HydrophobicContact CD-CB 4.42Å; K161-P171 HydrophobicContact CD-CG 4.33Å; K161-A173 WeakPolarHBondContact CA-O 3.34Å; K161-V174 HydrophobicContact CD-CG2 4.28Å; K161-V174 HydrophobicContact CG-CB 4.42Å; K161-V174 HydrophobicContact CG-CG1 4.14Å; K161-V174 HydrophobicContact CG-CG2 4.12Å
162Y97.8Very high94Very high22 Ų2276 Ų769%0.08636%0.359CS..EExtended strand (participates in β ladder)trans-140.7152.2165.478.8-94.8000112.1K138 K150 F151 P171 K172 A173 M175K138-Y162 HydrophobicContact CD-CD2 4.22Å; K138-Y162 HydrophobicContact CD-CE2 4.12Å; K150-Y162 CarbonylContact O-C 3.45Å; K150-Y162 WeakPolarHBondContact O-CA 3.39Å; K150-Y162 WeakPolarHBondContact O-CB 3.26Å; F151-Y162 HydrophobicContact CE1-CD1 4.14Å; F151-Y162 HydrophobicContact CE1-CG 4.14Å; F151-Y162 HydrophobicContact CZ-CD1 4.39Å; F151-Y162 HydrophobicContact CZ-CG 4.16Å; Y162-P171 CarbonylContact O-C 3.54Å; Y162-K172 HydrophobicContact CD2-CB 4.13Å; Y162-K172 HydrophobicContact CE2-CB 3.65Å; Y162-K172 HydrophobicContact CE2-CG 3.64Å; Y162-K172 PolarHBondContact O-N 2.99Å; Y162-A173 HydrophobicContact CD1-CB 3.99Å; Y162-A173 HydrophobicContact CE1-CB 3.42Å; Y162-A173 VanDerWaalsContact CE1-CB 3.42Å; Y162-A173 PolarHBondContact N-O 3.17Å; Y162-A173 PolarHBondContact O-N 2.92Å; Y162-M175 HydrophobicContact CD1-CE 3.91Å
163F97.2Very high93.9Very high33 Ų3376.2 Ų76.215%0.14536%0.362CS..EExtended strand (participates in β ladder)trans-113.6139.1-177.6-59.6-100000109.4R149 K150 V152 K161 R165 A168 E170 P171R149-F163 WeakPolarHBondContact CD-O 3.36Å; K150-F163 HydrophobicContact CB-CB 4.47Å; K150-F163 HydrophobicContact CB-CD2 4.5Å; K150-F163 PolarHBondContact O-N 2.68Å; V152-F163 HydrophobicContact CG2-CD2 4.49Å; V152-F163 HydrophobicContact CG2-CE2 3.89Å; K161-F163 HydrophobicContact CB-CE2 4.41Å; F163-R165 VanDerWaalsContact C-N 3.35Å; F163-R165 WeakPolarHBondContact CB-O 3.4Å; F163-A168 HydrophobicContact CB-CB 4.38Å; F163-A168 HydrophobicContact CD1-CB 4.12Å; F163-A168 WeakPolarHBondContact CD1-O 3.21Å; F163-E170 WeakPolarHBondContact CD1-O 3.49Å; F163-P171 HydrophobicContact CD1-CB 4.35Å; F163-P171 HydrophobicContact CE1-CB 3.91Å; F163-P171 HydrophobicContact CE2-CB 4.37Å; F163-P171 HydrophobicContact CZ-CB 3.92Å
164N88.5Confident93.7Very high67 Ų6779.8 Ų79.836%0.35838%0.383SS..SBendtrans-77.3-23.417962.7-20.8000112.9K172N164-K172 HydrophobicContact CB-CB 4.2Å; N164-K172 HydrophobicContact CB-CG 4.33Å
165R85Confident93.7Very high169 Ų16979.4 Ų79.464%0.63838%0.381SS*.SBendtrans-140157.4177.5-56.7-178.4179.5175.5-0.7109F163 D167 A168F163-R165 VanDerWaalsContact C-N 3.35Å; F163-R165 WeakPolarHBondContact CB-O 3.4Å; R165-D167 VanDerWaalsContact C-N 3.33Å; R165-D167 VanDerWaalsContact CB-OD1 3.22Å; R165-D167 WeakPolarHBondContact CB-OD1 3.5Å; R165-D167 PolarHBondContact O-N 3.34Å; R165-A168 HydrophobicContact CB-CB 4.42Å; R165-A168 WeakPolarHBondContact O-CB 3.3Å; R165-A168 PolarHBondContact O-N 2.89Å
166N77.5Confident93.7Very high118 Ų11882.7 Ų82.763%0.63139%0.394SS*.THydrogen-bonded Turntrans-71.2-31.7-174.1-66.15.7000112.8F135F135-N166 WeakPolarHBondContact CE1-OD1 3.48Å; F135-N166 WeakPolarHBondContact CZ-ND2 3.43Å; F135-N166 WeakPolarHBondContact CZ-OD1 3.46Å
167D84.1Confident93.7Very high129 Ų12971.5 Ų71.569%0.6935%0.353SS*.THydrogen-bonded Turntrans-91.13.1-178.963-29.9000113.1R165 K169R165-D167 VanDerWaalsContact C-N 3.33Å; R165-D167 VanDerWaalsContact CB-OD1 3.22Å; R165-D167 WeakPolarHBondContact CB-OD1 3.5Å; R165-D167 PolarHBondContact O-N 3.34Å; D167-K169 PolarHBondContact O-N 3.42Å
168A88.1Confident93.5Very high28 Ų2869.3 Ų69.323%0.23134%0.342CS..  trans-66120.8-179.600000110.6F163 R165 E170F163-A168 HydrophobicContact CB-CB 4.38Å; F163-A168 HydrophobicContact CD1-CB 4.12Å; F163-A168 WeakPolarHBondContact CD1-O 3.21Å; R165-A168 HydrophobicContact CB-CB 4.42Å; R165-A168 WeakPolarHBondContact O-CB 3.3Å; R165-A168 PolarHBondContact O-N 2.89Å; A168-E170 VanDerWaalsContact C-N 3.26Å; A168-E170 PolarHBondContact O-N 3.2Å
169K89.1Confident93.1Very high206 Ų20671.9 Ų71.990%0.89635%0.347SS*.SBendtrans-67.3-28.3176.6-64.9-173.4179.2-176.90113D167D167-K169 PolarHBondContact O-N 3.42Å
170E94Very high93Very high159 Ų15972.1 Ų72.174%0.74335%0.348SS*.SBendtrans-120.1142.1-177.5-66.4-173.1170.200111.6F163 A168F163-E170 WeakPolarHBondContact CD1-O 3.49Å; A168-E170 VanDerWaalsContact C-N 3.26Å; A168-E170 PolarHBondContact O-N 3.2Å
171P96.9Very high93Very high42 Ų4272.2 Ų72.227%0.27335%0.348SS..  trans-67.2140.317729-34.9000110.6K161 Y162 F163 A173 V174K161-P171 HydrophobicContact CB-CB 4.08Å; K161-P171 HydrophobicContact CD-CB 4.42Å; K161-P171 HydrophobicContact CD-CG 4.33Å; Y162-P171 CarbonylContact O-C 3.54Å; F163-P171 HydrophobicContact CD1-CB 4.35Å; F163-P171 HydrophobicContact CE1-CB 3.91Å; F163-P171 HydrophobicContact CE2-CB 4.37Å; F163-P171 HydrophobicContact CZ-CB 3.92Å; P171-A173 PolarHBondContact O-N 3.16Å; P171-V174 HydrophobicContact CB-CG2 4.12Å; P171-V174 HydrophobicContact CG-CG2 3.5Å; P171-V174 VanDerWaalsContact CG-CG2 3.5Å
172K95.9Very high93Very high130 Ų13070.9 Ų70.957%0.56534%0.343SS*.SBendtrans-67.9-29.2174.8178.757.5-171.9156.50111.9Y162 N164Y162-K172 HydrophobicContact CD2-CB 4.13Å; Y162-K172 HydrophobicContact CE2-CB 3.65Å; Y162-K172 HydrophobicContact CE2-CG 3.64Å; Y162-K172 PolarHBondContact O-N 2.99Å; N164-K172 HydrophobicContact CB-CB 4.2Å; N164-K172 HydrophobicContact CB-CG 4.33Å
173A95.7Very high93Very high16 Ų1670 Ų7013%0.13234%0.34CS..EExtended strand (participates in β ladder)trans-150.9148.117000000110.6K161 Y162 P171K161-A173 WeakPolarHBondContact CA-O 3.34Å; Y162-A173 HydrophobicContact CD1-CB 3.99Å; Y162-A173 HydrophobicContact CE1-CB 3.42Å; Y162-A173 VanDerWaalsContact CE1-CB 3.42Å; Y162-A173 PolarHBondContact N-O 3.17Å; Y162-A173 PolarHBondContact O-N 2.92Å; P171-A173 PolarHBondContact O-N 3.16Å
174V96.6Very high93.1Very high78 Ų7869.2 Ų69.247%0.47334%0.336SS..EExtended strand (participates in β ladder)trans-118.8117.9170.9-177.30000107A159 K161 P171A159-V174 HydrophobicContact CB-CG1 3.65Å; K161-V174 HydrophobicContact CD-CG2 4.28Å; K161-V174 HydrophobicContact CG-CB 4.42Å; K161-V174 HydrophobicContact CG-CG1 4.14Å; K161-V174 HydrophobicContact CG-CG2 4.12Å; P171-V174 HydrophobicContact CB-CG2 4.12Å; P171-V174 HydrophobicContact CG-CG2 3.5Å; P171-V174 VanDerWaalsContact CG-CG2 3.5Å
175M97.4Very high93.6Very high1 Ų167.3 Ų67.31%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-113.6111.9-175.9-58.7166-7500108.1F151 A159 L160 Y162 L180 Y199 I208F151-M175 HydrophobicContact CE1-CE 4.41Å; A159-M175 CarbonylContact C-O 3.53Å; A159-M175 VanDerWaalsContact CA-O 3.26Å; A159-M175 WeakPolarHBondContact CA-O 3.28Å; L160-M175 HydrophobicContact CB-CB 4.46Å; L160-M175 HydrophobicContact CB-CE 4Å; L160-M175 HydrophobicContact CD2-CE 3.56Å; L160-M175 HydrophobicContact CG-CE 3.6Å; L160-M175 PolarHBondContact N-O 2.63Å; L160-M175 WeakPolarHBondContact O-CB 3.26Å; L160-M175 VanDerWaalsContact O-CE 3.28Å; L160-M175 WeakPolarHBondContact O-CE 3.48Å; L160-M175 PolarHBondContact O-N 2.66Å; Y162-M175 HydrophobicContact CD1-CE 3.91Å; M175-L180 HydrophobicContact CB-CD1 4.27Å; M175-L180 HydrophobicContact CB-CD2 3.99Å; M175-L180 HydrophobicContact CB-CG 4.29Å; M175-Y199 HydrophobicContact CB-CD1 4.42Å; M175-Y199 HydrophobicContact CB-CD2 4.17Å; M175-Y199 HydrophobicContact CB-CG 4.06Å; M175-Y199 HydrophobicContact CG-CD1 3.68Å; M175-Y199 HydrophobicContact CG-CD2 3.79Å; M175-Y199 HydrophobicContact CG-CE1 3.7Å; M175-Y199 HydrophobicContact CG-CE2 3.82Å; M175-Y199 HydrophobicContact CG-CG 3.72Å; M175-Y199 HydrophobicContact SD-CD1 3.49Å; M175-Y199 WeakPolarHBondContact SD-CD1 3.11Å; M175-Y199 HydrophobicContact SD-CE1 3.49Å; M175-Y199 WeakPolarHBondContact SD-CE1 3.28Å; M175-Y199 HydrophobicContact SD-CG 4.12Å; M175-I208 HydrophobicContact SD-CG1 4.42Å
176K96.8Very high94.2Very high122 Ų12260.9 Ų60.953%0.5331%0.306SS..EExtended strand (participates in β ladder)trans-68.6140.3-177.7-59.3-176.3179.5-177.50111.6G158 E178 H179 L180G158-K176 WeakPolarHBondContact O-CA 3.37Å; K176-E178 HydrophobicContact CB-CG 3.77Å; K176-E178 HydrophobicContact CD-CG 4.17Å; K176-E178 WeakPolarHBondContact CD-OE1 3.22Å; K176-E178 IonicContact NZ-OE1 2.88Å; K176-E178 PolarHBondContact NZ-OE1 3.23Å; K176-E178 VanDerWaalsContact NZ-OE1 3.08Å; K176-E178 PolarHBondContact O-N 3.2Å; K176-H179 PolarHBondContact O-N 2.97Å; K176-L180 WeakPolarHBondContact O-CG 3.29Å; K176-L180 PolarHBondContact O-N 3.43Å
177I96.9Very high95.1Very high7 Ų760 Ų604%0.03631%0.314CS..G310 helixtrans-56.9-36179.4-69.1164.8000112.1L153 G158 H179 L180 A228 R229 Y232L153-I177 HydrophobicContact CD1-CG1 4.48Å; G158-I177 VanDerWaalsContact C-CD1 3.42Å; G158-I177 WeakPolarHBondContact O-CG1 3.36Å; G158-I177 PolarHBondContact O-N 3.39Å; I177-H179 PolarHBondContact O-N 2.91Å; I177-H179 VanDerWaalsContact O-N 3.08Å; I177-L180 PolarHBondContact O-N 2.78Å; I177-A228 HydrophobicContact CD1-CB 3.79Å; I177-A228 HydrophobicContact CG1-CB 4.3Å; I177-A228 WeakPolarHBondContact CG2-O 3.34Å; I177-R229 HydrophobicContact CG2-CG 4.13Å; I177-R229 WeakPolarHBondContact O-CD 3.37Å; I177-R229 PolarHBondContact O-NH1 2.96Å; I177-Y232 HydrophobicContact CG2-CD1 4.48Å; I177-Y232 HydrophobicContact CG2-CG 4.08Å
178E93.2Very high95.8Very high64 Ų6455.1 Ų55.130%0.29929%0.287SS..G310 helixtrans-53.7-32.1179.657.3174.2159.500113.9K176 R229 Y232K176-E178 HydrophobicContact CB-CG 3.77Å; K176-E178 HydrophobicContact CD-CG 4.17Å; K176-E178 WeakPolarHBondContact CD-OE1 3.22Å; K176-E178 IonicContact NZ-OE1 2.88Å; K176-E178 PolarHBondContact NZ-OE1 3.23Å; K176-E178 VanDerWaalsContact NZ-OE1 3.08Å; K176-E178 PolarHBondContact O-N 3.2Å; E178-R229 VanDerWaalsContact C-NH1 3.28Å; E178-R229 PolarHBondContact O-NH1 2.98Å; E178-Y232 HydrophobicContact CB-CE1 3.92Å; E178-Y232 HydrophobicContact CB-CE2 3.7Å; E178-Y232 VanDerWaalsContact CB-OH 3.24Å; E178-Y232 WeakPolarHBondContact CB-OH 3.47Å
179H90.3Very high96.3Very high81 Ų8154.3 Ų54.338%0.37528%0.279SS..G310 helixtrans-1101.3-175.1-57-35.3000113.8K176 I177 Y199 L200K176-H179 PolarHBondContact O-N 2.97Å; I177-H179 PolarHBondContact O-N 2.91Å; I177-H179 VanDerWaalsContact O-N 3.08Å; H179-Y199 WeakPolarHBondContact O-CA 3.2Å; H179-L200 HydrophobicContact CB-CB 3.84Å
180L95.8Very high96.7Very high7 Ų747.8 Ų47.84%0.03727%0.27CS..  trans-78.9139.1-178.9-81.6168000111.6L160 M175 K176 I177 V197 T198 L225L160-L180 HydrophobicContact CB-CD1 3.59Å; L160-L180 HydrophobicContact CD2-CD1 4.47Å; L160-L180 HydrophobicContact CD2-CD2 4.42Å; M175-L180 HydrophobicContact CB-CD1 4.27Å; M175-L180 HydrophobicContact CB-CD2 3.99Å; M175-L180 HydrophobicContact CB-CG 4.29Å; K176-L180 WeakPolarHBondContact O-CG 3.29Å; K176-L180 PolarHBondContact O-N 3.43Å; I177-L180 PolarHBondContact O-N 2.78Å; L180-V197 HydrophobicContact CD2-CG1 3.56Å; L180-T198 WeakPolarHBondContact CA-O 3.27Å; L180-L225 HydrophobicContact CD1-CD2 4.42Å
181N97.7Very high96.9Very high5 Ų542 Ų423%0.02724%0.243CC..EExtended strand (participates in β ladder)trans-133.3156161.7-173.133.4000109.4V197 T198 S250 R251N181-V197 CarbonylContact O-C 3.49Å; N181-V197 WeakPolarHBondContact O-CA 3.12Å; N181-T198 PolarHBondContact N-O 2.78Å; N181-T198 PolarHBondContact O-N 2.87Å; N181-S250 WeakPolarHBondContact OD1-CA 3.46Å; N181-R251 PolarHBondContact ND2-O 2.88Å; N181-R251 PolarHBondContact OD1-N 2.97Å
182A98.4Very high97Very high4 Ų444 Ų443%0.03326%0.256CS..EExtended strand (participates in β ladder)trans-144137.417700000110.3L195 Q196 V197 F222 L225 S250A182-L195 HydrophobicContact CB-CD1 4.23Å; A182-Q196 CarbonylContact C-O 3.59Å; A182-Q196 VanDerWaalsContact CA-O 3.3Å; A182-Q196 WeakPolarHBondContact CA-O 3.31Å; A182-V197 HydrophobicContact CB-CG2 4.21Å; A182-F222 HydrophobicContact CB-CD2 4.03Å; A182-F222 HydrophobicContact CB-CE2 4.25Å; A182-F222 WeakPolarHBondContact O-CE2 3.31Å; A182-L225 HydrophobicContact CB-CD1 4.04Å; A182-S250 WeakPolarHBondContact O-CB 3.16Å
183T98.4Very high97.1Very high4 Ų439.4 Ų39.43%0.02524%0.237CC..EExtended strand (participates in β ladder)trans-147135177.9175.20000109.7Q185 Q196 N252 Y253T183-Q185 HydrophobicContact CG2-CG 3.93Å; T183-Q185 PolarHBondContact O-N 3.49Å; T183-Q196 HydrophobicContact CG2-CB 4.26Å; T183-Q196 PolarHBondContact N-O 2.63Å; T183-Q196 PolarHBondContact O-N 2.99Å; T183-N252 PolarHBondContact OG1-OD1 3.5Å; T183-Y253 HydrophobicContact CG2-CD2 4.06Å; T183-Y253 HydrophobicContact CG2-CE2 3.53Å
184F98.8Very high97.3Very high16 Ų1638.7 Ų38.77%0.0723%0.23CC..EExtended strand (participates in β ladder)trans-67.7131.6173.8-81.9-79.6000109.9L103 L104 G194 L195 I218 V219 F222L103-F184 HydrophobicContact CD2-CD1 3.87Å; L103-F184 HydrophobicContact CD2-CE1 3.39Å; L103-F184 HydrophobicContact CD2-CZ 3.98Å; L104-F184 HydrophobicContact CD1-CB 4.42Å; L104-F184 HydrophobicContact CD1-CD2 3.79Å; L104-F184 HydrophobicContact CD1-CG 4.39Å; L104-F184 HydrophobicContact CD2-CD2 3.74Å; L104-F184 HydrophobicContact CD2-CE2 3.61Å; L104-F184 HydrophobicContact CG-CD2 3.76Å; L104-F184 HydrophobicContact CG-CE2 4.07Å; L104-F184 HydrophobicContact CG-CG 4.4Å; F184-G194 WeakPolarHBondContact CD1-O 3.45Å; F184-L195 HydrophobicContact CD1-CB 4.31Å; F184-L195 HydrophobicContact CD1-CD1 4.17Å; F184-L195 HydrophobicContact CD2-CD1 4.04Å; F184-L195 HydrophobicContact CE1-CB 4.18Å; F184-L195 HydrophobicContact CE1-CD1 4.23Å; F184-L195 HydrophobicContact CE2-CD1 4.12Å; F184-L195 HydrophobicContact CG-CD1 4.08Å; F184-L195 HydrophobicContact CZ-CD1 4.22Å; F184-I218 HydrophobicContact CE1-CG1 3.95Å; F184-I218 HydrophobicContact CE1-CG2 3.86Å; F184-I218 HydrophobicContact CZ-CG1 4.25Å; F184-I218 HydrophobicContact CZ-CG2 4.09Å; F184-V219 HydrophobicContact CE2-CG2 4.3Å; F184-V219 HydrophobicContact CZ-CG2 3.83Å; F184-F222 HydrophobicContact CD2-CD1 4.3Å; F184-F222 HydrophobicContact CD2-CE1 4.49Å; F184-F222 HydrophobicContact CD2-CG 4.31Å; F184-F222 HydrophobicContact CE2-CB 3.71Å; F184-F222 AromaticContact CE2-CD1 3.67Å; F184-F222 HydrophobicContact CE2-CD1 3.67Å; F184-F222 HydrophobicContact CE2-CD2 4.25Å; F184-F222 HydrophobicContact CE2-CE1 4.28Å; F184-F222 AromaticContact CE2-CG 3.61Å; F184-F222 HydrophobicContact CE2-CG 3.61Å; F184-F222 HydrophobicContact CZ-CB 4.04Å; F184-F222 HydrophobicContact CZ-CG 4.42Å
185Q98.4Very high97.4Very high28 Ų2835 Ų3513%0.13121%0.208CC..  trans-139.952.3-172-74.3-71-10.600111.2T183 A187 K188 I189 G194 Q196 E256T183-Q185 HydrophobicContact CG2-CG 3.93Å; T183-Q185 PolarHBondContact O-N 3.49Å; Q185-A187 PolarHBondContact O-N 2.78Å; Q185-K188 HydrophobicContact CB-CB 4.29Å; Q185-K188 VanDerWaalsContact CD-NZ 3.34Å; Q185-K188 PolarHBondContact O-N 3.23Å; Q185-K188 VanDerWaalsContact OE1-CE 3.26Å; Q185-I189 HydrophobicContact CB-CD1 3.85Å; Q185-I189 HydrophobicContact CB-CG1 4.23Å; Q185-I189 WeakPolarHBondContact O-CB 3.49Å; Q185-I189 VanDerWaalsContact O-CG1 3.31Å; Q185-I189 WeakPolarHBondContact O-CG1 3.38Å; Q185-I189 PolarHBondContact O-N 3.05Å; Q185-G194 PolarHBondContact N-O 2.84Å; Q185-Q196 HydrophobicContact CB-CB 4.08Å; Q185-Q196 HydrophobicContact CG-CB 3.79Å; Q185-E256 PolarHBondContact NE2-OE2 2.99Å; Q185-E256 PolarHBondContact OE1-OE2 3.38Å
186P98.2Very high97.5Very high34 Ų3435 Ų3522%0.22121%0.208CC..Hα-helixtrans-63.7-41.7-167.824.9-34.8000113.3C101 I189 G190 H191C101-P186 HydrophobicContact CB-CG 3.91Å; P186-I189 PolarHBondContact O-N 3.42Å; P186-G190 WeakPolarHBondContact O-CA 3.22Å; P186-G190 PolarHBondContact O-N 2.82Å; P186-H191 WeakPolarHBondContact CA-O 3.36Å; P186-H191 WeakPolarHBondContact CB-O 3.47Å; P186-H191 PolarHBondContact O-N 3.35Å; P186-H191 VanDerWaalsContact O-N 3.13Å
187A97.5Very high97.5Very high98 Ų9829.2 Ų29.281%0.8118%0.183SC*.Hα-helixtrans-64.9-43.8178.800000112.1Q185 G190Q185-A187 PolarHBondContact O-N 2.78Å; A187-G190 PolarHBondContact O-N 3.37Å
188K97.6Very high97.6Very high28 Ų2829.1 Ų29.112%0.12218%0.183CC..Hα-helixtrans-65.4-41.8178.2-173.9-171.1-57.3169.20112Q185 F209 E256 P288 L289Q185-K188 HydrophobicContact CB-CB 4.29Å; Q185-K188 VanDerWaalsContact CD-NZ 3.34Å; Q185-K188 PolarHBondContact O-N 3.23Å; Q185-K188 VanDerWaalsContact OE1-CE 3.26Å; K188-F209 HydrophobicContact CD-CE1 4.36Å; K188-E256 IonicContact NZ-OE1 3.9Å; K188-E256 PolarHBondContact NZ-OE1 3.43Å; K188-E256 IonicContact NZ-OE2 3.61Å; K188-E256 PolarHBondContact NZ-OE2 2.95Å; K188-P288 HydrophobicContact CD-CB 4.08Å; K188-P288 HydrophobicContact CG-CB 3.8Å; K188-L289 HydrophobicContact CG-CD2 4.05Å; K188-L289 WeakPolarHBondContact O-CD2 3.5Å
189I98.3Very high97.6Very high11 Ų1127 Ų276%0.05617%0.172CC..Hα-helixtrans-78.9-23.3-176.9-68169.1000111.7F146 Q185 P186 H191 Q196 F209 L289F146-I189 HydrophobicContact CE1-CG2 4.39Å; F146-I189 HydrophobicContact CZ-CG2 3.9Å; Q185-I189 HydrophobicContact CB-CD1 3.85Å; Q185-I189 HydrophobicContact CB-CG1 4.23Å; Q185-I189 WeakPolarHBondContact O-CB 3.49Å; Q185-I189 VanDerWaalsContact O-CG1 3.31Å; Q185-I189 WeakPolarHBondContact O-CG1 3.38Å; Q185-I189 PolarHBondContact O-N 3.05Å; P186-I189 PolarHBondContact O-N 3.42Å; I189-H191 HydrophobicContact CG2-CB 4.17Å; I189-Q196 HydrophobicContact CD1-CB 4.47Å; I189-F209 HydrophobicContact CD1-CB 4.32Å; I189-F209 HydrophobicContact CD1-CD1 3.91Å; I189-F209 HydrophobicContact CG1-CB 4.29Å; I189-F209 HydrophobicContact CG1-CD1 3.72Å; I189-F209 HydrophobicContact CG1-CG 4.38Å; I189-L289 HydrophobicContact CG1-CD2 4.3Å
190G98.1Very high97.5Very high69 Ų6925.3 Ų25.371%0.71117%0.166SC*.THydrogen-bonded Turntrans76.126.8-174.700000112.9P186 A187P186-G190 WeakPolarHBondContact O-CA 3.22Å; P186-G190 PolarHBondContact O-N 2.82Å; A187-G190 PolarHBondContact O-N 3.37Å
191H98.6Very high97Very high37 Ų3729.3 Ų29.317%0.17118%0.183CC..SBendtrans-145.5133.5178.9-167.7-87.2000110.4P186 I189 H193 G194 Y211 E213P186-H191 WeakPolarHBondContact CA-O 3.36Å; P186-H191 WeakPolarHBondContact CB-O 3.47Å; P186-H191 PolarHBondContact O-N 3.35Å; P186-H191 VanDerWaalsContact O-N 3.13Å; I189-H191 HydrophobicContact CG2-CB 4.17Å; H191-H193 AromaticContact CE1-CG 3.89Å; H191-H193 AromaticContact CE1-ND1 3.91Å; H191-H193 WeakPolarHBondContact ND1-CB 3.39Å; H191-H193 PolarHBondContact ND1-N 3.41Å; H191-H193 PolarHBondContact O-N 3.24Å; H191-G194 PolarHBondContact O-N 3.24Å; H191-Y211 AromaticContact CD2-CD2 3.93Å; H191-Y211 AromaticContact CD2-CE2 3.99Å; H191-Y211 AromaticContact CE1-CD2 3.4Å; H191-Y211 WeakPolarHBondContact CE1-CD2 3.49Å; H191-Y211 AromaticContact CE1-CE2 3.96Å; H191-Y211 AromaticContact CE1-CG 3.95Å; H191-Y211 AromaticContact CG-CD2 3.98Å; H191-Y211 AromaticContact CG-CG 3.87Å; H191-Y211 AromaticContact ND1-CD2 3.63Å; H191-Y211 AromaticContact ND1-CG 3.68Å; H191-Y211 AromaticContact NE2-CD2 3.59Å; H191-Y211 AromaticContact NE2-CE2 3.68Å; H191-E213 IonicContact NE2-OE2 2.79Å
192P98.6Very high96.3Very high84 Ų8436 Ų3655%0.54522%0.218SC..THydrogen-bonded Turntrans-59.2-25.6-177.223.9-34.8000113.4
193H98.8Very high95.3Very high34 Ų3437.7 Ų37.716%0.15723%0.227CC..THydrogen-bonded Turntrans-102.417.4178.4-52.8163.4000113.8L103 H191 L195 Y211 H212 E213 G215 I218L103-H193 HydrophobicContact CD2-CB 4.27Å; H191-H193 AromaticContact CE1-CG 3.89Å; H191-H193 AromaticContact CE1-ND1 3.91Å; H191-H193 WeakPolarHBondContact ND1-CB 3.39Å; H191-H193 PolarHBondContact ND1-N 3.41Å; H191-H193 PolarHBondContact O-N 3.24Å; H193-L195 PolarHBondContact O-N 3.1Å; H193-Y211 WeakPolarHBondContact O-CB 3.36Å; H193-H212 VanDerWaalsContact CB-O 3.24Å; H193-H212 WeakPolarHBondContact CB-O 3.39Å; H193-H212 PolarHBondContact ND1-O 3.24Å; H193-E213 PolarHBondContact CE1-O 3.06Å; H193-E213 PolarHBondContact ND1-O 2.68Å; H193-G215 PolarHBondContact CE1-N 3.01Å; H193-I218 HydrophobicContact CB-CG2 3.94Å
194G98.8Very high94.8Very high0 Ų038.9 Ų38.90%024%0.235CC..  trans-66.3119.3-179.200000112.4F184 Q185 H191F184-G194 WeakPolarHBondContact CD1-O 3.45Å; Q185-G194 PolarHBondContact N-O 2.84Å; H191-G194 PolarHBondContact O-N 3.24Å
195L98.9Very high94.5Very high0 Ų038.5 Ų38.50%023%0.234CC..EExtended strand (participates in β ladder)trans-113.5126.9173.3-178.768.3000109.5A182 F184 H193 V197 I210 I218 F222A182-L195 HydrophobicContact CB-CD1 4.23Å; F184-L195 HydrophobicContact CD1-CB 4.31Å; F184-L195 HydrophobicContact CD1-CD1 4.17Å; F184-L195 HydrophobicContact CD2-CD1 4.04Å; F184-L195 HydrophobicContact CE1-CB 4.18Å; F184-L195 HydrophobicContact CE1-CD1 4.23Å; F184-L195 HydrophobicContact CE2-CD1 4.12Å; F184-L195 HydrophobicContact CG-CD1 4.08Å; F184-L195 HydrophobicContact CZ-CD1 4.22Å; H193-L195 PolarHBondContact O-N 3.1Å; L195-V197 HydrophobicContact CD2-CG2 4.27Å; L195-V197 HydrophobicContact CG-CG2 4.31Å; L195-I210 HydrophobicContact CB-CG1 4.09Å; L195-I210 HydrophobicContact CD2-CD1 4.19Å; L195-I210 HydrophobicContact CD2-CG1 4.41Å; L195-I210 HydrophobicContact CG-CG1 4.43Å; L195-I210 PolarHBondContact N-O 2.91Å; L195-I210 WeakPolarHBondContact O-CG1 3.34Å; L195-I210 PolarHBondContact O-N 3.25Å; L195-I218 HydrophobicContact CB-CD1 4.11Å; L195-I218 HydrophobicContact CB-CG1 4.06Å; L195-I218 HydrophobicContact CD2-CD1 4.02Å; L195-I218 HydrophobicContact CD2-CG1 4.29Å; L195-F222 HydrophobicContact CD1-CD2 4.07Å; L195-F222 HydrophobicContact CD2-CB 4.43Å
196Q98.8Very high94.4Very high2 Ų238.2 Ų38.21%0.00923%0.232CC..EExtended strand (participates in β ladder)trans-95.6118.5170.8-179.1177.1-9.300108.5A182 T183 Q185 I189 T198 N207 F209 Y253A182-Q196 CarbonylContact C-O 3.59Å; A182-Q196 VanDerWaalsContact CA-O 3.3Å; A182-Q196 WeakPolarHBondContact CA-O 3.31Å; T183-Q196 HydrophobicContact CG2-CB 4.26Å; T183-Q196 PolarHBondContact N-O 2.63Å; T183-Q196 PolarHBondContact O-N 2.99Å; Q185-Q196 HydrophobicContact CB-CB 4.08Å; Q185-Q196 HydrophobicContact CG-CB 3.79Å; I189-Q196 HydrophobicContact CD1-CB 4.47Å; Q196-T198 HydrophobicContact CG-CG2 4.1Å; Q196-N207 PolarHBondContact NE2-OD1 3.35Å; Q196-F209 HydrophobicContact CB-CD1 4.11Å; Q196-F209 HydrophobicContact CB-CE1 4.19Å; Q196-F209 HydrophobicContact CG-CD1 3.99Å; Q196-F209 HydrophobicContact CG-CE1 3.69Å; Q196-Y253 PolarHBondContact NE2-OH 3.02Å
197V98.6Very high94.4Very high1 Ų136.8 Ų36.81%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-102.8131.8169.8176.80000108.2L160 L180 N181 A182 L195 I208 I210 L225L160-V197 HydrophobicContact CD2-CG1 4.37Å; L180-V197 HydrophobicContact CD2-CG1 3.56Å; N181-V197 CarbonylContact O-C 3.49Å; N181-V197 WeakPolarHBondContact O-CA 3.12Å; A182-V197 HydrophobicContact CB-CG2 4.21Å; L195-V197 HydrophobicContact CD2-CG2 4.27Å; L195-V197 HydrophobicContact CG-CG2 4.31Å; V197-I208 HydrophobicContact CB-CB 4.26Å; V197-I208 PolarHBondContact N-O 3.23Å; V197-I208 PolarHBondContact O-N 3.07Å; V197-I210 HydrophobicContact CG2-CD1 3.59Å; V197-I210 HydrophobicContact CG2-CG1 4.3Å; V197-L225 HydrophobicContact CG2-CD1 4.3Å
198T97.6Very high94.4Very high5 Ų532.2 Ų32.23%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-120.1144.7173.963.20000110.4L180 N181 Q196 T205 R206 N207 Y253L180-T198 WeakPolarHBondContact CA-O 3.27Å; N181-T198 PolarHBondContact N-O 2.78Å; N181-T198 PolarHBondContact O-N 2.87Å; Q196-T198 HydrophobicContact CG-CG2 4.1Å; T198-T205 HydrophobicContact CG2-CG2 4.28Å; T198-R206 WeakPolarHBondContact CA-O 3.28Å; T198-N207 WeakPolarHBondContact CG2-OD1 3.35Å; T198-Y253 VanDerWaalsContact CG2-OH 3.26Å; T198-Y253 WeakPolarHBondContact CG2-OH 3.44Å
199Y94.3Very high94.5Very high18 Ų1831.1 Ų31.17%0.07118%0.18CC..EExtended strand (participates in β ladder)trans-145.8158.117173-78.3000110.6M175 H179 K201 R206 I208M175-Y199 HydrophobicContact CB-CD1 4.42Å; M175-Y199 HydrophobicContact CB-CD2 4.17Å; M175-Y199 HydrophobicContact CB-CG 4.06Å; M175-Y199 HydrophobicContact CG-CD1 3.68Å; M175-Y199 HydrophobicContact CG-CD2 3.79Å; M175-Y199 HydrophobicContact CG-CE1 3.7Å; M175-Y199 HydrophobicContact CG-CE2 3.82Å; M175-Y199 HydrophobicContact CG-CG 3.72Å; M175-Y199 HydrophobicContact SD-CD1 3.49Å; M175-Y199 WeakPolarHBondContact SD-CD1 3.11Å; M175-Y199 HydrophobicContact SD-CE1 3.49Å; M175-Y199 WeakPolarHBondContact SD-CE1 3.28Å; M175-Y199 HydrophobicContact SD-CG 4.12Å; H179-Y199 WeakPolarHBondContact O-CA 3.2Å; Y199-K201 HydrophobicContact CD2-CB 4.27Å; Y199-K201 HydrophobicContact CE2-CB 3.64Å; Y199-K201 HydrophobicContact CE2-CD 4.48Å; Y199-K201 HydrophobicContact CE2-CG 4.19Å; Y199-R206 HydrophobicContact CD1-CB 4.01Å; Y199-R206 HydrophobicContact CD1-CG 4.14Å; Y199-R206 HydrophobicContact CE1-CB 3.61Å; Y199-R206 HydrophobicContact CE1-CG 3.35Å; Y199-R206 HydrophobicContact CE2-CB 4.45Å; Y199-R206 PolarHBondContact N-O 2.98Å; Y199-R206 PolarHBondContact O-N 2.87Å; Y199-I208 HydrophobicContact CD1-CG1 4.33Å; Y199-I208 HydrophobicContact CE1-CD1 4.3Å; Y199-I208 HydrophobicContact CE1-CG1 3.95Å
200L87.6Confident94.5Very high47 Ų4730.8 Ų30.825%0.24618%0.178CC..EExtended strand (participates in β ladder)trans-82.6119.3175.4-161.369000109.8H179 N203 R281H179-L200 HydrophobicContact CB-CB 3.84Å; L200-N203 VanDerWaalsContact CD1-C 3.44Å; L200-R281 VanDerWaalsContact CD1-NH1 3.33Å
201K85.2Confident94.5Very high90 Ų9028.9 Ų28.939%0.39115%0.15SC..EExtended strand (participates in β ladder)trans-119.9118.3172-170.5-176.7174.2-178.40109Y199 N203 S204 R206Y199-K201 HydrophobicContact CD2-CB 4.27Å; Y199-K201 HydrophobicContact CE2-CB 3.64Å; Y199-K201 HydrophobicContact CE2-CD 4.48Å; Y199-K201 HydrophobicContact CE2-CG 4.19Å; K201-N203 PolarHBondContact O-N 3.09Å; K201-S204 PolarHBondContact N-O 3.45Å; K201-S204 WeakPolarHBondContact O-CA 3.33Å; K201-S204 PolarHBondContact O-N 2.82Å; K201-S204 VanDerWaalsContact O-O 3.05Å; K201-R206 HydrophobicContact CB-CB 4.34Å
202D82.6Confident94.5Very high145 Ų14529.3 Ų29.378%0.77515%0.152SC*.THydrogen-bonded Turntrans52.242.5-179.7-47.9-42.9000111.5S204D202-S204 PolarHBondContact O-N 2.96Å; D202-S204 VanDerWaalsContact O-N 3.12Å
203N77.8Confident94.5Very high40 Ų4030.6 Ų30.621%0.21415%0.15CC..THydrogen-bonded Turntrans60.115.1-174.7-158.930.7000115.6L200 K201 H369 K373L200-N203 VanDerWaalsContact CD1-C 3.44Å; K201-N203 PolarHBondContact O-N 3.09Å; N203-H369 PolarHBondContact ND2-O 2.98Å; N203-K373 WeakPolarHBondContact O-CE 3.39Å; N203-K373 PolarHBondContact O-NZ 3.44Å
204S87.9Confident94.5Very high29 Ų2932.6 Ų32.620%0.20316%0.162CC..EExtended strand (participates in β ladder)trans-113138.9170.5-172.10000111.6K201 D202 R206 E296K201-S204 PolarHBondContact N-O 3.45Å; K201-S204 WeakPolarHBondContact O-CA 3.33Å; K201-S204 PolarHBondContact O-N 2.82Å; K201-S204 VanDerWaalsContact O-O 3.05Å; D202-S204 PolarHBondContact O-N 2.96Å; D202-S204 VanDerWaalsContact O-N 3.12Å; S204-R206 PolarHBondContact O-N 3.17Å; S204-E296 VanDerWaalsContact CA-OE1 3.28Å; S204-E296 WeakPolarHBondContact CA-OE1 3.42Å; S204-E296 PolarHBondContact OG-OE1 2.85Å; S204-E296 VanDerWaalsContact OG-OE1 3.07Å
205T93Very high94.5Very high8 Ų832.8 Ų32.85%0.04916%0.164CC..EExtended strand (participates in β ladder)trans-71.2123.3177.4-53.60000110.6T198 R281 M283 E296T198-T205 HydrophobicContact CG2-CG2 4.28Å; T205-R281 WeakPolarHBondContact OG1-CD 3.44Å; T205-R281 PolarHBondContact OG1-NH1 3.18Å; T205-M283 VanDerWaalsContact CB-SD 3.58Å; T205-M283 HydrophobicContact CG2-SD 3.57Å; T205-M283 VanDerWaalsContact CG2-SD 3.57Å; T205-E296 PolarHBondContact N-OE1 2.98Å; T205-E296 PolarHBondContact OG1-OE2 2.9Å
206R95.7Very high94.5Very high22 Ų2234.6 Ų34.68%0.08317%0.172CC..EExtended strand (participates in β ladder)trans-103.6121.6173.517550.4-177.1-100.18.1110.5T198 Y199 K201 S204 I208 A291 F292T198-R206 WeakPolarHBondContact CA-O 3.28Å; Y199-R206 HydrophobicContact CD1-CB 4.01Å; Y199-R206 HydrophobicContact CD1-CG 4.14Å; Y199-R206 HydrophobicContact CE1-CB 3.61Å; Y199-R206 HydrophobicContact CE1-CG 3.35Å; Y199-R206 HydrophobicContact CE2-CB 4.45Å; Y199-R206 PolarHBondContact N-O 2.98Å; Y199-R206 PolarHBondContact O-N 2.87Å; K201-R206 HydrophobicContact CB-CB 4.34Å; S204-R206 PolarHBondContact O-N 3.17Å; R206-I208 HydrophobicContact CG-CD1 4.21Å; R206-I208 HydrophobicContact CG-CG1 4.48Å; R206-A291 WeakPolarHBondContact CA-O 3.41Å; R206-A291 WeakPolarHBondContact CD-O 3.38Å; R206-F292 HydrophobicContact CB-CD1 4.31Å; R206-F292 HydrophobicContact CB-CE1 3.82Å; R206-F292 HydrophobicContact CB-CZ 4.39Å; R206-F292 HydrophobicContact CG-CE1 4.19Å; R206-F292 HydrophobicContact CG-CZ 4.28Å; R206-F292 VanDerWaalsContact NH1-CZ 3.3Å
207N97.9Very high94.5Very high4 Ų437.3 Ų37.32%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-81.2135.3168.8-64.7-37.4000112Q196 T198 F209 F285 D290 A291Q196-N207 PolarHBondContact NE2-OD1 3.35Å; T198-N207 WeakPolarHBondContact CG2-OD1 3.35Å; N207-F209 HydrophobicContact CB-CD2 4.47Å; N207-F209 HydrophobicContact CB-CE1 4.41Å; N207-F209 HydrophobicContact CB-CE2 3.61Å; N207-F209 HydrophobicContact CB-CZ 3.59Å; N207-F285 WeakPolarHBondContact ND2-CE1 3.46Å; N207-F285 WeakPolarHBondContact ND2-CZ 3.42Å; N207-D290 PolarHBondContact ND2-O 3.29Å; N207-A291 PolarHBondContact N-O 3.35Å
208I98.2Very high94.5Very high2 Ų237.3 Ų37.31%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-126.7117.8169.2-58.3-65.1000107.4K138 F151 M175 V197 Y199 R206 I210K138-I208 HydrophobicContact CD-CG2 4.42Å; K138-I208 HydrophobicContact CG-CG2 4.18Å; F151-I208 HydrophobicContact CZ-CG2 4.47Å; M175-I208 HydrophobicContact SD-CG1 4.42Å; V197-I208 HydrophobicContact CB-CB 4.26Å; V197-I208 PolarHBondContact N-O 3.23Å; V197-I208 PolarHBondContact O-N 3.07Å; Y199-I208 HydrophobicContact CD1-CG1 4.33Å; Y199-I208 HydrophobicContact CE1-CD1 4.3Å; Y199-I208 HydrophobicContact CE1-CG1 3.95Å; R206-I208 HydrophobicContact CG-CD1 4.21Å; R206-I208 HydrophobicContact CG-CG1 4.48Å; I208-I210 HydrophobicContact CG2-CG2 3.9Å
209F98.7Very high94.6Very high6 Ų637.2 Ų37.23%0.02618%0.184CC..EExtended strand (participates in β ladder)trans-103123.4177.6-53-79.6000108.8R139 F146 K188 I189 Q196 N207 L289R139-F209 HydrophobicContact CB-CB 3.85Å; R139-F209 WeakPolarHBondContact CB-O 3.28Å; R139-F209 PolarHBondContact N-O 2.94Å; F146-F209 HydrophobicContact CE1-CB 4.49Å; K188-F209 HydrophobicContact CD-CE1 4.36Å; I189-F209 HydrophobicContact CD1-CB 4.32Å; I189-F209 HydrophobicContact CD1-CD1 3.91Å; I189-F209 HydrophobicContact CG1-CB 4.29Å; I189-F209 HydrophobicContact CG1-CD1 3.72Å; I189-F209 HydrophobicContact CG1-CG 4.38Å; Q196-F209 HydrophobicContact CB-CD1 4.11Å; Q196-F209 HydrophobicContact CB-CE1 4.19Å; Q196-F209 HydrophobicContact CG-CD1 3.99Å; Q196-F209 HydrophobicContact CG-CE1 3.69Å; N207-F209 HydrophobicContact CB-CD2 4.47Å; N207-F209 HydrophobicContact CB-CE1 4.41Å; N207-F209 HydrophobicContact CB-CE2 3.61Å; N207-F209 HydrophobicContact CB-CZ 3.59Å; F209-L289 HydrophobicContact CD1-CD2 3.8Å; F209-L289 HydrophobicContact CD2-CD2 4.16Å; F209-L289 HydrophobicContact CE1-CD2 3.68Å; F209-L289 HydrophobicContact CE2-CB 4.22Å; F209-L289 HydrophobicContact CE2-CD2 4.07Å; F209-L289 VanDerWaalsContact CE2-O 3.26Å; F209-L289 WeakPolarHBondContact CE2-O 3.41Å; F209-L289 HydrophobicContact CG-CD2 4.03Å; F209-L289 HydrophobicContact CZ-CB 4.44Å; F209-L289 HydrophobicContact CZ-CD2 3.81Å
210I98.8Very high94.8Very high4 Ų436.4 Ų36.42%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-135.6155.8-175.651.3-174.5000110.5L136 W137 K138 F151 L195 V197 I208L136-I210 HydrophobicContact CB-CB 4.49Å; L136-I210 HydrophobicContact CD1-CD1 3.94Å; W137-I210 CarbonylContact O-C 3.59Å; W137-I210 WeakPolarHBondContact O-CA 3.47Å; K138-I210 HydrophobicContact CB-CG2 3.86Å; K138-I210 HydrophobicContact CG-CG2 3.78Å; F151-I210 HydrophobicContact CE2-CG2 4.05Å; F151-I210 HydrophobicContact CZ-CG2 3.71Å; L195-I210 HydrophobicContact CB-CG1 4.09Å; L195-I210 HydrophobicContact CD2-CD1 4.19Å; L195-I210 HydrophobicContact CD2-CG1 4.41Å; L195-I210 HydrophobicContact CG-CG1 4.43Å; L195-I210 PolarHBondContact N-O 2.91Å; L195-I210 WeakPolarHBondContact O-CG1 3.34Å; L195-I210 PolarHBondContact O-N 3.25Å; V197-I210 HydrophobicContact CG2-CD1 3.59Å; V197-I210 HydrophobicContact CG2-CG1 4.3Å; I208-I210 HydrophobicContact CG2-CG2 3.9Å
211Y98.9Very high95.4Very high28 Ų2834.5 Ų34.511%0.1117%0.171CC..EExtended strand (participates in β ladder)trans-149.1169.5166.872.2-94000110.5W137 F146 H191 H193 E213W137-Y211 HydrophobicContact CB-CD1 3.71Å; W137-Y211 HydrophobicContact CB-CD2 4.01Å; W137-Y211 HydrophobicContact CB-CE1 3.34Å; W137-Y211 HydrophobicContact CB-CE2 3.66Å; W137-Y211 HydrophobicContact CB-CG 4.02Å; W137-Y211 AromaticContact CD1-CE2 3.36Å; W137-Y211 AromaticContact CD1-CZ 3.67Å; W137-Y211 HydrophobicContact CG-CD2 4.32Å; W137-Y211 HydrophobicContact CG-CE1 4.01Å; W137-Y211 AromaticContact CG-CE2 3.61Å; W137-Y211 HydrophobicContact CG-CE2 3.61Å; W137-Y211 AromaticContact CG-CZ 3.42Å; W137-Y211 VanDerWaalsContact CG-CZ 3.42Å; W137-Y211 PolarHBondContact N-O 2.72Å; W137-Y211 PolarHBondContact O-N 2.97Å; F146-Y211 HydrophobicContact CB-CE1 3.96Å; F146-Y211 AromaticContact CD1-CD1 3.53Å; F146-Y211 HydrophobicContact CD1-CD1 3.53Å; F146-Y211 AromaticContact CD1-CE1 3.38Å; F146-Y211 HydrophobicContact CD1-CE1 3.38Å; F146-Y211 HydrophobicContact CD2-CE1 4.34Å; F146-Y211 AromaticContact CE1-CD1 3.63Å; F146-Y211 HydrophobicContact CE1-CD1 3.63Å; F146-Y211 AromaticContact CE1-CE1 3.89Å; F146-Y211 HydrophobicContact CE1-CE1 3.89Å; F146-Y211 HydrophobicContact CG-CD1 4.25Å; F146-Y211 AromaticContact CG-CE1 3.64Å; F146-Y211 HydrophobicContact CG-CE1 3.64Å; F146-Y211 HydrophobicContact CZ-CD1 4.43Å; H191-Y211 AromaticContact CD2-CD2 3.93Å; H191-Y211 AromaticContact CD2-CE2 3.99Å; H191-Y211 AromaticContact CE1-CD2 3.4Å; H191-Y211 WeakPolarHBondContact CE1-CD2 3.49Å; H191-Y211 AromaticContact CE1-CE2 3.96Å; H191-Y211 AromaticContact CE1-CG 3.95Å; H191-Y211 AromaticContact CG-CD2 3.98Å; H191-Y211 AromaticContact CG-CG 3.87Å; H191-Y211 AromaticContact ND1-CD2 3.63Å; H191-Y211 AromaticContact ND1-CG 3.68Å; H191-Y211 AromaticContact NE2-CD2 3.59Å; H191-Y211 AromaticContact NE2-CE2 3.68Å; H193-Y211 WeakPolarHBondContact O-CB 3.36Å; Y211-E213 WeakPolarHBondContact CE2-OE1 3.49Å
212H98.9Very high96Very high47 Ų4730.2 Ų30.222%0.21815%0.152CC..  trans-129.5150.9165.7-166.9-93.2000109F135 L136 H193 D214 E217 I218F135-H212 PolarHBondContact O-CD2 3.18Å; L136-H212 HydrophobicContact CD2-CB 3.8Å; H193-H212 VanDerWaalsContact CB-O 3.24Å; H193-H212 WeakPolarHBondContact CB-O 3.39Å; H193-H212 PolarHBondContact ND1-O 3.24Å; H212-D214 VanDerWaalsContact C-N 3.34Å; H212-D214 WeakPolarHBondContact ND1-CA 3.16Å; H212-D214 VanDerWaalsContact ND1-CB 3.3Å; H212-D214 WeakPolarHBondContact ND1-CB 3.4Å; H212-D214 PolarHBondContact ND1-N 2.72Å; H212-D214 PolarHBondContact ND1-O 3.41Å; H212-E217 HydrophobicContact CB-CB 4.34Å; H212-E217 WeakPolarHBondContact ND1-CB 3.45Å; H212-I218 HydrophobicContact CB-CB 4.02Å; H212-I218 HydrophobicContact CB-CD1 4.49Å
213E98.5Very high96.8Very high110 Ų11023.4 Ų23.451%0.51412%0.115SC..SBendtrans-68.7-37.1178.1-61.5-63.3171.200111.2H191 H193 Y211H191-E213 IonicContact NE2-OE2 2.79Å; H193-E213 PolarHBondContact CE1-O 3.06Å; H193-E213 PolarHBondContact ND1-O 2.68Å; Y211-E213 WeakPolarHBondContact CE2-OE1 3.49Å
214D98.8Very high97.8Very high77 Ų7721.7 Ų21.741%0.41211%0.107SC..SBendtrans-81.1121.6169.6-167.9-25.7000111.1H212 K216 E217 I218H212-D214 VanDerWaalsContact C-N 3.34Å; H212-D214 WeakPolarHBondContact ND1-CA 3.16Å; H212-D214 VanDerWaalsContact ND1-CB 3.3Å; H212-D214 WeakPolarHBondContact ND1-CB 3.4Å; H212-D214 PolarHBondContact ND1-N 2.72Å; H212-D214 PolarHBondContact ND1-O 3.41Å; D214-K216 VanDerWaalsContact C-N 3.34Å; D214-K216 WeakPolarHBondContact OD1-CB 3.47Å; D214-K216 PolarHBondContact OD1-N 3.44Å; D214-E217 HydrophobicContact CB-CB 4.15Å; D214-E217 HydrophobicContact CB-CG 3.91Å; D214-E217 PolarHBondContact O-N 3.31Å; D214-I218 PolarHBondContact O-N 2.8Å
215G98.7Very high98.3Very high4 Ų420.9 Ų20.94%0.04110%0.1CC..Hα-helixtrans-65.6-31.7177.100000113.7H193 I218 V219H193-G215 PolarHBondContact CE1-N 3.01Å; G215-I218 WeakPolarHBondContact O-CG2 3.35Å; G215-V219 VanDerWaalsContact O-CG2 3.32Å; G215-V219 WeakPolarHBondContact O-CG2 3.23Å; G215-V219 PolarHBondContact O-N 3.36Å
216K98.7Very high98.6Very high38 Ų3821 Ų2117%0.16510%0.1CC..Hα-helixtrans-62.9-50.7174.1174.9176.4166.349.70109.9E117 D214 I218 V219 D220E117-K216 IonicContact OE1-NZ 2.77Å; E117-K216 PolarHBondContact OE1-NZ 3.38Å; D214-K216 VanDerWaalsContact C-N 3.34Å; D214-K216 WeakPolarHBondContact OD1-CB 3.47Å; D214-K216 PolarHBondContact OD1-N 3.44Å; K216-I218 VanDerWaalsContact C-N 3.31Å; K216-I218 PolarHBondContact O-N 2.86Å; K216-V219 PolarHBondContact O-N 3.18Å; K216-D220 WeakPolarHBondContact CE-OD2 3.46Å; K216-D220 VanDerWaalsContact NZ-CG 3.3Å; K216-D220 IonicContact NZ-OD1 3.03Å; K216-D220 PolarHBondContact NZ-OD1 3.03Å; K216-D220 IonicContact NZ-OD2 2.83Å; K216-D220 PolarHBondContact NZ-OD2 2.8Å; K216-D220 PolarHBondContact O-N 3.02Å
217E98.8Very high98.7Very high59 Ų5920 Ų2028%0.27610%0.097SC..Hα-helixtrans-57.9-41.6-175.6-72.7-59.412200112.8R132 H212 D214 D220 W221R132-E217 IonicContact CZ-OE2 3.68Å; R132-E217 PolarHBondContact NH2-O 3.12Å; R132-E217 IonicContact NH2-OE2 3.75Å; R132-E217 PolarHBondContact NH2-OE2 2.92Å; H212-E217 HydrophobicContact CB-CB 4.34Å; H212-E217 WeakPolarHBondContact ND1-CB 3.45Å; D214-E217 HydrophobicContact CB-CB 4.15Å; D214-E217 HydrophobicContact CB-CG 3.91Å; D214-E217 PolarHBondContact O-N 3.31Å; E217-D220 PolarHBondContact O-N 3.08Å; E217-W221 PolarHBondContact O-N 2.87Å
218I98.9Very high98.8Very high0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-72.1-31.9178.5-162.765.1000112.6L103 L136 F184 H193 L195 H212 D214 G215 K216 W221 F222L103-I218 HydrophobicContact CD2-CG2 3.71Å; L136-I218 HydrophobicContact CD2-CD1 3.92Å; F184-I218 HydrophobicContact CE1-CG1 3.95Å; F184-I218 HydrophobicContact CE1-CG2 3.86Å; F184-I218 HydrophobicContact CZ-CG1 4.25Å; F184-I218 HydrophobicContact CZ-CG2 4.09Å; H193-I218 HydrophobicContact CB-CG2 3.94Å; L195-I218 HydrophobicContact CB-CD1 4.11Å; L195-I218 HydrophobicContact CB-CG1 4.06Å; L195-I218 HydrophobicContact CD2-CD1 4.02Å; L195-I218 HydrophobicContact CD2-CG1 4.29Å; H212-I218 HydrophobicContact CB-CB 4.02Å; H212-I218 HydrophobicContact CB-CD1 4.49Å; D214-I218 PolarHBondContact O-N 2.8Å; G215-I218 WeakPolarHBondContact O-CG2 3.35Å; K216-I218 VanDerWaalsContact C-N 3.31Å; K216-I218 PolarHBondContact O-N 2.86Å; I218-W221 PolarHBondContact O-N 3.03Å; I218-F222 PolarHBondContact O-N 3.12Å
219V98.9Very high98.8Very high4 Ų420.8 Ų20.82%0.02410%0.099CC..Hα-helixtrans-73.1-36.8175.8171.10000110.5L103 L104 Q107 F184 G215 K216 F222 N223L103-V219 HydrophobicContact CD1-CG2 4.14Å; L103-V219 HydrophobicContact CD2-CG2 4.05Å; L103-V219 HydrophobicContact CG-CG2 3.86Å; L104-V219 HydrophobicContact CD2-CG2 4.48Å; Q107-V219 HydrophobicContact CB-CB 4.22Å; Q107-V219 HydrophobicContact CB-CG1 4.09Å; Q107-V219 HydrophobicContact CB-CG2 3.98Å; Q107-V219 HydrophobicContact CG-CB 4.35Å; Q107-V219 HydrophobicContact CG-CG2 3.9Å; F184-V219 HydrophobicContact CE2-CG2 4.3Å; F184-V219 HydrophobicContact CZ-CG2 3.83Å; G215-V219 VanDerWaalsContact O-CG2 3.32Å; G215-V219 WeakPolarHBondContact O-CG2 3.23Å; G215-V219 PolarHBondContact O-N 3.36Å; K216-V219 PolarHBondContact O-N 3.18Å; V219-F222 WeakPolarHBondContact O-CB 3.49Å; V219-F222 PolarHBondContact O-N 2.87Å; V219-N223 PolarHBondContact O-N 3.14Å; V219-N223 PolarHBondContact O-ND2 2.94Å; V219-N223 VanDerWaalsContact O-ND2 3.1Å
220D98.9Very high98.8Very high1 Ų121 Ų211%0.00510%0.1CC..Hα-helixtrans-62.4-43.5171.1-74.314.5000110.4Y127 K216 E217 F222 N223 A224Y127-D220 WeakPolarHBondContact CB-O 3.34Å; Y127-D220 HydrophobicContact CD1-CB 4Å; K216-D220 WeakPolarHBondContact CE-OD2 3.46Å; K216-D220 VanDerWaalsContact NZ-CG 3.3Å; K216-D220 IonicContact NZ-OD1 3.03Å; K216-D220 PolarHBondContact NZ-OD1 3.03Å; K216-D220 IonicContact NZ-OD2 2.83Å; K216-D220 PolarHBondContact NZ-OD2 2.8Å; K216-D220 PolarHBondContact O-N 3.02Å; E217-D220 PolarHBondContact O-N 3.08Å; D220-F222 VanDerWaalsContact C-N 3.34Å; D220-F222 PolarHBondContact O-N 2.77Å; D220-N223 PolarHBondContact O-N 3.42Å; D220-A224 VanDerWaalsContact O-CB 3.28Å; D220-A224 WeakPolarHBondContact O-CB 3.42Å; D220-A224 PolarHBondContact O-N 3.09Å
221W98.9Very high98.7Very high6 Ų623.8 Ų23.82%0.02311%0.113CC..Hα-helixtrans-58.5-43.7171.9-88.3108000112.8R132 L136 F151 L153 L160 E217 I218 A224 L225R132-W221 HydrophobicContact CB-CH2 4.38Å; R132-W221 HydrophobicContact CB-CZ3 4.33Å; R132-W221 HydrophobicContact CG-CD2 4.28Å; R132-W221 HydrophobicContact CG-CE3 4.28Å; R132-W221 HydrophobicContact CG-CH2 4.01Å; R132-W221 HydrophobicContact CG-CZ2 4.01Å; R132-W221 HydrophobicContact CG-CZ3 4.15Å; R132-W221 WeakPolarHBondContact O-CH2 3.5Å; L136-W221 HydrophobicContact CD1-CD2 4.05Å; L136-W221 HydrophobicContact CD1-CG 4.13Å; F151-W221 HydrophobicContact CB-CH2 3.62Å; F151-W221 HydrophobicContact CB-CZ2 3.99Å; F151-W221 HydrophobicContact CB-CZ3 4.19Å; L153-W221 HydrophobicContact CB-CZ3 3.84Å; L160-W221 HydrophobicContact CD1-CZ3 3.95Å; E217-W221 PolarHBondContact O-N 2.87Å; I218-W221 PolarHBondContact O-N 3.03Å; W221-A224 PolarHBondContact O-N 2.9Å; W221-L225 WeakPolarHBondContact O-CG 3.49Å; W221-L225 PolarHBondContact O-N 3.09Å
222F98.9Very high98.7Very high1 Ų126.3 Ų26.30%0.00412%0.123CC..Hα-helixtrans-63-44.9177.9172.9-116.4000112Y94 L104 A182 F184 L195 I218 V219 D220 L225 R226 S250Y94-F222 HydrophobicContact CD1-CE1 4.14Å; Y94-F222 AromaticContact CD2-CE1 3.88Å; Y94-F222 HydrophobicContact CD2-CE1 3.88Å; Y94-F222 AromaticContact CD2-CZ 3.94Å; Y94-F222 HydrophobicContact CD2-CZ 3.94Å; Y94-F222 HydrophobicContact CE2-CZ 4.43Å; Y94-F222 AromaticContact CG-CE1 3.59Å; Y94-F222 HydrophobicContact CG-CE1 3.59Å; Y94-F222 HydrophobicContact CG-CZ 4.14Å; L104-F222 HydrophobicContact CD2-CD1 4.21Å; L104-F222 HydrophobicContact CD2-CE1 4.14Å; A182-F222 HydrophobicContact CB-CD2 4.03Å; A182-F222 HydrophobicContact CB-CE2 4.25Å; A182-F222 WeakPolarHBondContact O-CE2 3.31Å; F184-F222 HydrophobicContact CD2-CD1 4.3Å; F184-F222 HydrophobicContact CD2-CE1 4.49Å; F184-F222 HydrophobicContact CD2-CG 4.31Å; F184-F222 HydrophobicContact CE2-CB 3.71Å; F184-F222 AromaticContact CE2-CD1 3.67Å; F184-F222 HydrophobicContact CE2-CD1 3.67Å; F184-F222 HydrophobicContact CE2-CD2 4.25Å; F184-F222 HydrophobicContact CE2-CE1 4.28Å; F184-F222 AromaticContact CE2-CG 3.61Å; F184-F222 HydrophobicContact CE2-CG 3.61Å; F184-F222 HydrophobicContact CZ-CB 4.04Å; F184-F222 HydrophobicContact CZ-CG 4.42Å; L195-F222 HydrophobicContact CD1-CD2 4.07Å; L195-F222 HydrophobicContact CD2-CB 4.43Å; I218-F222 PolarHBondContact O-N 3.12Å; V219-F222 WeakPolarHBondContact O-CB 3.49Å; V219-F222 PolarHBondContact O-N 2.87Å; D220-F222 VanDerWaalsContact C-N 3.34Å; D220-F222 PolarHBondContact O-N 2.77Å; F222-L225 PolarHBondContact O-N 2.82Å; F222-R226 HydrophobicContact CE2-CG 4.42Å; F222-R226 HydrophobicContact CZ-CG 4.47Å; F222-R226 WeakPolarHBondContact O-CG 3.5Å; F222-R226 PolarHBondContact O-N 3.42Å; F222-R226 VanDerWaalsContact O-N 3.1Å; F222-S250 WeakPolarHBondContact CZ-OG 3.32Å
223N98.9Very high98.6Very high1 Ų124.3 Ų24.31%0.00511%0.114CC..Hα-helixtrans-71.1-32.2177.4-74.4-56.9000112.7Y93 Y94 V219 D220 R226 A227Y93-N223 HydrophobicContact CD2-CB 4.19Å; Y93-N223 HydrophobicContact CE2-CB 4.25Å; Y93-N223 WeakPolarHBondContact CE2-ND2 3.46Å; Y93-N223 VanDerWaalsContact CZ-ND2 3.34Å; Y94-N223 PolarHBondContact N-OD1 3.43Å; V219-N223 PolarHBondContact O-N 3.14Å; V219-N223 PolarHBondContact O-ND2 2.94Å; V219-N223 VanDerWaalsContact O-ND2 3.1Å; D220-N223 PolarHBondContact O-N 3.42Å; N223-R226 CarbonylContact O-C 3.58Å; N223-R226 WeakPolarHBondContact O-CB 3.26Å; N223-R226 PolarHBondContact O-N 2.81Å; N223-A227 PolarHBondContact O-N 2.76Å
224A98.9Very high98.5Very high4 Ų422.7 Ų22.73%0.03311%0.106CC..Hα-helixtrans-64-41.7172.100000111.5Y127 L153 D220 W221 R226 A227 A228Y127-A224 WeakPolarHBondContact O-CA 3.4Å; L153-A224 VanDerWaalsContact CD2-C 3.44Å; L153-A224 HydrophobicContact CD2-CB 3.84Å; L153-A224 WeakPolarHBondContact CD2-O 3.38Å; D220-A224 VanDerWaalsContact O-CB 3.28Å; D220-A224 WeakPolarHBondContact O-CB 3.42Å; D220-A224 PolarHBondContact O-N 3.09Å; W221-A224 PolarHBondContact O-N 2.9Å; A224-R226 VanDerWaalsContact C-N 3.28Å; A224-R226 PolarHBondContact O-N 3.49Å; A224-A227 WeakPolarHBondContact O-CB 3.39Å; A224-A227 PolarHBondContact O-N 3.04Å; A224-A228 WeakPolarHBondContact O-CB 3.4Å; A224-A228 PolarHBondContact O-N 3.23Å
225L98.8Very high98.4Very high13 Ų1324.9 Ų24.97%0.06812%0.122CC..Hα-helixtrans-61.2-38.9172.8-72.9166.9000111.6L153 L160 L180 A182 V197 W221 F222 R229L153-L225 HydrophobicContact CD1-CD2 4.01Å; L153-L225 HydrophobicContact CD2-CD2 4.03Å; L153-L225 HydrophobicContact CD2-CG 4.28Å; L160-L225 HydrophobicContact CB-CD2 4.48Å; L160-L225 HydrophobicContact CD1-CD2 4.35Å; L160-L225 HydrophobicContact CD2-CD2 4.06Å; L180-L225 HydrophobicContact CD1-CD2 4.42Å; A182-L225 HydrophobicContact CB-CD1 4.04Å; V197-L225 HydrophobicContact CG2-CD1 4.3Å; W221-L225 WeakPolarHBondContact O-CG 3.49Å; W221-L225 PolarHBondContact O-N 3.09Å; F222-L225 PolarHBondContact O-N 2.82Å; L225-R229 WeakPolarHBondContact O-CB 3.27Å; L225-R229 WeakPolarHBondContact O-CG 3.44Å; L225-R229 PolarHBondContact O-N 3.5Å
226R98.8Very high98.2Very high11 Ų1126.8 Ų26.84%0.04214%0.137CC..Hα-helixtrans-67.2-39.7175.4-70.4172.453.879.73.6112.3F92 F222 N223 A224 R229 F230 L249 S250F92-R226 PolarHBondContact O-NE 3.08Å; F92-R226 PolarHBondContact O-NH2 2.65Å; F222-R226 HydrophobicContact CE2-CG 4.42Å; F222-R226 HydrophobicContact CZ-CG 4.47Å; F222-R226 WeakPolarHBondContact O-CG 3.5Å; F222-R226 PolarHBondContact O-N 3.42Å; F222-R226 VanDerWaalsContact O-N 3.1Å; N223-R226 CarbonylContact O-C 3.58Å; N223-R226 WeakPolarHBondContact O-CB 3.26Å; N223-R226 PolarHBondContact O-N 2.81Å; A224-R226 VanDerWaalsContact C-N 3.28Å; A224-R226 PolarHBondContact O-N 3.49Å; R226-R229 PolarHBondContact O-N 2.7Å; R226-F230 WeakPolarHBondContact O-CB 3.44Å; R226-F230 PolarHBondContact O-N 2.9Å; R226-L249 HydrophobicContact CB-CB 4.19Å; R226-L249 HydrophobicContact CB-CD1 4.38Å; R226-L249 HydrophobicContact CG-CB 4.21Å; R226-S250 PolarHBondContact NH1-OG 3.22Å
227A98.8Very high98Very high1 Ų128.4 Ų28.41%0.00815%0.145CC..Hα-helixtrans-59.8-50.1173.900000111.2F92 N223 A224 R229 F230 H231F92-A227 HydrophobicContact CD1-CB 3.85Å; F92-A227 HydrophobicContact CD2-CB 3.69Å; F92-A227 HydrophobicContact CE1-CB 3.83Å; F92-A227 HydrophobicContact CE2-CB 3.7Å; F92-A227 HydrophobicContact CG-CB 3.78Å; F92-A227 HydrophobicContact CZ-CB 3.77Å; N223-A227 PolarHBondContact O-N 2.76Å; A224-A227 WeakPolarHBondContact O-CB 3.39Å; A224-A227 PolarHBondContact O-N 3.04Å; A227-R229 VanDerWaalsContact C-N 3.31Å; A227-R229 PolarHBondContact O-N 2.98Å; A227-F230 WeakPolarHBondContact O-CA 3.43Å; A227-F230 WeakPolarHBondContact O-CB 3.39Å; A227-F230 PolarHBondContact O-N 3.46Å; A227-H231 PolarHBondContact O-N 3.48Å
228A98.6Very high97.7Very high2 Ų231.4 Ų31.42%0.01717%0.169CC..Hα-helixtrans-59.7-41.8177.700000112.3L153 E155 I177 A224 F230 Y232L153-A228 HydrophobicContact CD1-CB 4Å; L153-A228 HydrophobicContact CD2-CB 4.05Å; L153-A228 HydrophobicContact CG-CB 4.31Å; E155-A228 HydrophobicContact CG-CB 3.75Å; E155-A228 VanDerWaalsContact OE1-CA 3.26Å; E155-A228 WeakPolarHBondContact OE1-CA 3.41Å; E155-A228 PolarHBondContact OE1-N 2.71Å; I177-A228 HydrophobicContact CD1-CB 3.79Å; I177-A228 HydrophobicContact CG1-CB 4.3Å; I177-A228 WeakPolarHBondContact CG2-O 3.34Å; A224-A228 WeakPolarHBondContact O-CB 3.4Å; A224-A228 PolarHBondContact O-N 3.23Å; A228-F230 VanDerWaalsContact C-N 3.33Å; A228-Y232 WeakPolarHBondContact O-CB 3.34Å; A228-Y232 PolarHBondContact O-N 3.29Å; A228-Y232 VanDerWaalsContact O-N 3.09Å
229R98.4Very high97.4Very high20 Ų2035.2 Ų35.28%0.07521%0.208CC..Hα-helixtrans-63.2-38.1172.8-75.2-74.8-59.8160.64.6112.4I177 E178 L225 R226 A227 L233 K248 L249I177-R229 HydrophobicContact CG2-CG 4.13Å; I177-R229 WeakPolarHBondContact O-CD 3.37Å; I177-R229 PolarHBondContact O-NH1 2.96Å; E178-R229 VanDerWaalsContact C-NH1 3.28Å; E178-R229 PolarHBondContact O-NH1 2.98Å; L225-R229 WeakPolarHBondContact O-CB 3.27Å; L225-R229 WeakPolarHBondContact O-CG 3.44Å; L225-R229 PolarHBondContact O-N 3.5Å; R226-R229 PolarHBondContact O-N 2.7Å; A227-R229 VanDerWaalsContact C-N 3.31Å; A227-R229 PolarHBondContact O-N 2.98Å; R229-L233 WeakPolarHBondContact O-CB 3.37Å; R229-L233 VanDerWaalsContact O-CG 3.24Å; R229-L233 WeakPolarHBondContact O-CG 3.42Å; R229-L233 PolarHBondContact O-N 3.01Å; R229-K248 PolarHBondContact NH2-O 3.36Å; R229-L249 HydrophobicContact CB-CB 4.42Å; R229-L249 HydrophobicContact CB-CD2 4.24Å; R229-L249 WeakPolarHBondContact CG-O 3.29Å; R229-L249 PolarHBondContact NE-O 3.3Å
230F98.4Very high97.2Very high11 Ų1136.5 Ų36.55%0.04822%0.22CC..Hα-helixtrans-66.4-50.7-178.8178.3-113000110.9F92 R226 A227 A228 Y232 L233 Q234 D242 L245 L249F92-F230 HydrophobicContact CB-CB 3.98Å; F92-F230 HydrophobicContact CB-CD1 4.4Å; F92-F230 HydrophobicContact CB-CG 4.21Å; F92-F230 HydrophobicContact CD1-CD1 4.24Å; R226-F230 WeakPolarHBondContact O-CB 3.44Å; R226-F230 PolarHBondContact O-N 2.9Å; A227-F230 WeakPolarHBondContact O-CA 3.43Å; A227-F230 WeakPolarHBondContact O-CB 3.39Å; A227-F230 PolarHBondContact O-N 3.46Å; A228-F230 VanDerWaalsContact C-N 3.33Å; F230-Y232 PolarHBondContact O-N 3.46Å; F230-L233 PolarHBondContact O-N 2.82Å; F230-L233 VanDerWaalsContact O-N 3.13Å; F230-Q234 HydrophobicContact CE1-CG 4.47Å; F230-Q234 HydrophobicContact CE2-CG 4.36Å; F230-Q234 HydrophobicContact CZ-CG 4.29Å; F230-Q234 VanDerWaalsContact CZ-NE2 3.25Å; F230-Q234 WeakPolarHBondContact O-CG 3.37Å; F230-Q234 PolarHBondContact O-N 3.07Å; F230-D242 HydrophobicContact CE2-CB 4.38Å; F230-D242 HydrophobicContact CZ-CB 4.47Å; F230-D242 WeakPolarHBondContact CZ-OD1 3.47Å; F230-L245 HydrophobicContact CD2-CB 4.24Å; F230-L245 HydrophobicContact CE2-CB 4.25Å; F230-L245 HydrophobicContact CE2-CD1 4.44Å; F230-L249 HydrophobicContact CB-CD1 3.94Å; F230-L249 HydrophobicContact CB-CD2 3.54Å; F230-L249 HydrophobicContact CB-CG 4.39Å; F230-L249 HydrophobicContact CD2-CD1 4.24Å; F230-L249 HydrophobicContact CD2-CD2 4Å; F230-L249 HydrophobicContact CG-CD1 4.41Å; F230-L249 HydrophobicContact CG-CD2 4.26Å
231H98.2Very high97.1Very high61 Ų6139.1 Ų39.128%0.28224%0.238SC..Hα-helixtrans-62.9-40.5177.2-59.3150.3000112.2E155 A227 L233 Q234 V235E155-H231 IonicContact OE1-CE1 2.96Å; E155-H231 IonicContact OE1-ND1 3.2Å; E155-H231 PolarHBondContact OE1-ND1 3.24Å; E155-H231 VanDerWaalsContact OE1-ND1 3.09Å; E155-H231 IonicContact OE2-CE1 3.74Å; E155-H231 IonicContact OE2-CG 3.21Å; E155-H231 IonicContact OE2-ND1 3.96Å; E155-H231 PolarHBondContact OE2-ND1 2.74Å; A227-H231 PolarHBondContact O-N 3.48Å; H231-L233 VanDerWaalsContact C-N 3.33Å; H231-L233 PolarHBondContact O-N 2.94Å; H231-Q234 PolarHBondContact O-N 3.25Å; H231-V235 WeakPolarHBondContact O-CG2 3.23Å; H231-V235 PolarHBondContact O-N 3.27Å
232Y97.8Very high97Very high81 Ų8141.9 Ų41.932%0.31825%0.253SS..Hα-helixtrans-56.7-46.6172.4164.3-98.7000111.9I177 E178 A228 F230 V235 A236I177-Y232 HydrophobicContact CG2-CD1 4.48Å; I177-Y232 HydrophobicContact CG2-CG 4.08Å; E178-Y232 HydrophobicContact CB-CE1 3.92Å; E178-Y232 HydrophobicContact CB-CE2 3.7Å; E178-Y232 VanDerWaalsContact CB-OH 3.24Å; E178-Y232 WeakPolarHBondContact CB-OH 3.47Å; A228-Y232 WeakPolarHBondContact O-CB 3.34Å; A228-Y232 PolarHBondContact O-N 3.29Å; A228-Y232 VanDerWaalsContact O-N 3.09Å; F230-Y232 PolarHBondContact O-N 3.46Å; Y232-V235 PolarHBondContact O-N 3.43Å; Y232-A236 HydrophobicContact CE1-CB 4.35Å; Y232-A236 HydrophobicContact CE2-CB 4.45Å; Y232-A236 WeakPolarHBondContact O-CB 3.16Å; Y232-A236 PolarHBondContact O-N 3.24Å
233L96.7Very high96.8Very high6 Ų645.5 Ų45.53%0.03128%0.283CS..Hα-helixtrans-70.2-33.9-178.3-72.5172.8000112.9R229 F230 H231 V235 A236 F237 L245 K248 L249R229-L233 WeakPolarHBondContact O-CB 3.37Å; R229-L233 VanDerWaalsContact O-CG 3.24Å; R229-L233 WeakPolarHBondContact O-CG 3.42Å; R229-L233 PolarHBondContact O-N 3.01Å; F230-L233 PolarHBondContact O-N 2.82Å; F230-L233 VanDerWaalsContact O-N 3.13Å; H231-L233 VanDerWaalsContact C-N 3.33Å; H231-L233 PolarHBondContact O-N 2.94Å; L233-V235 VanDerWaalsContact C-N 3.28Å; L233-V235 PolarHBondContact O-N 2.98Å; L233-A236 PolarHBondContact O-N 2.94Å; L233-F237 HydrophobicContact CB-CD2 4.39Å; L233-F237 HydrophobicContact CD2-CD2 3.78Å; L233-F237 HydrophobicContact CD2-CE2 3.5Å; L233-F237 WeakPolarHBondContact O-CB 3.47Å; L233-F237 WeakPolarHBondContact O-CD2 3.44Å; L233-F237 PolarHBondContact O-N 3.44Å; L233-L245 HydrophobicContact CB-CD1 4.13Å; L233-L245 HydrophobicContact CB-CD2 3.95Å; L233-L245 HydrophobicContact CB-CG 4.46Å; L233-K248 HydrophobicContact CD1-CB 3.7Å; L233-L249 HydrophobicContact CD1-CD2 3.89Å
234Q97.1Very high96.5Very high75 Ų7549.5 Ų49.535%0.3530%0.304SS..Hα-helixtrans-60.7-40.2173.5-74.5179.7-46.100111.3F230 H231 F237 P238 L245F230-Q234 HydrophobicContact CE1-CG 4.47Å; F230-Q234 HydrophobicContact CE2-CG 4.36Å; F230-Q234 HydrophobicContact CZ-CG 4.29Å; F230-Q234 VanDerWaalsContact CZ-NE2 3.25Å; F230-Q234 WeakPolarHBondContact O-CG 3.37Å; F230-Q234 PolarHBondContact O-N 3.07Å; H231-Q234 PolarHBondContact O-N 3.25Å; Q234-F237 CarbonylContact O-C 3.59Å; Q234-P238 WeakPolarHBondContact O-CA 3.48Å; Q234-L245 HydrophobicContact CB-CD1 4.31Å; Q234-L245 HydrophobicContact CG-CD1 3.55Å
235V96.4Very high96.4Very high124 Ų12449.3 Ų49.375%0.75230%0.303SS*.Hα-helixtrans-71.7-42.6175.7177.10000111.6H231 Y232 L233 F237H231-V235 WeakPolarHBondContact O-CG2 3.23Å; H231-V235 PolarHBondContact O-N 3.27Å; Y232-V235 PolarHBondContact O-N 3.43Å; L233-V235 VanDerWaalsContact C-N 3.28Å; L233-V235 PolarHBondContact O-N 2.98Å; V235-F237 VanDerWaalsContact C-N 3.27Å; V235-F237 PolarHBondContact O-N 2.87Å
236A94.4Very high96.3Very high43 Ų4350.7 Ų50.736%0.35531%0.312SS..Hα-helixtrans-70.7-23-179.400000113.2Y232 L233Y232-A236 HydrophobicContact CE1-CB 4.35Å; Y232-A236 HydrophobicContact CE2-CB 4.45Å; Y232-A236 WeakPolarHBondContact O-CB 3.16Å; Y232-A236 PolarHBondContact O-N 3.24Å; L233-A236 PolarHBondContact O-N 2.94Å
237F94.5Very high96.1Very high73 Ų7354.5 Ų54.532%0.3234%0.338SS..SBendtrans-135.969.7-177.1-56.7-78.6000111L233 Q234 V235 G239 A240 L245L233-F237 HydrophobicContact CB-CD2 4.39Å; L233-F237 HydrophobicContact CD2-CD2 3.78Å; L233-F237 HydrophobicContact CD2-CE2 3.5Å; L233-F237 WeakPolarHBondContact O-CB 3.47Å; L233-F237 WeakPolarHBondContact O-CD2 3.44Å; L233-F237 PolarHBondContact O-N 3.44Å; Q234-F237 CarbonylContact O-C 3.59Å; V235-F237 VanDerWaalsContact C-N 3.27Å; V235-F237 PolarHBondContact O-N 2.87Å; F237-G239 PolarHBondContact O-N 3.34Å; F237-A240 HydrophobicContact CB-CB 3.86Å; F237-A240 WeakPolarHBondContact O-CB 3.4Å; F237-A240 PolarHBondContact O-N 2.91Å; F237-L245 HydrophobicContact CB-CD2 4.43Å
238P92.4Very high95.9Very high121 Ų12157.9 Ų57.979%0.78635%0.353SS*.THydrogen-bonded Turntrans-66.31-168.326.3-35.7000116.3Q234Q234-P238 WeakPolarHBondContact O-CA 3.48Å
239G92.8Very high95.8Very high80 Ų8057.9 Ų57.983%0.82535%0.352SS*.THydrogen-bonded Turntrans-119.62.9173.400000114.5F237F237-G239 PolarHBondContact O-N 3.34Å
240A95.1Very high95.7Very high32 Ų3257.5 Ų57.526%0.26435%0.353SS..  trans-80.9137.7178.300000110.5F237 D244 L245F237-A240 HydrophobicContact CB-CB 3.86Å; F237-A240 WeakPolarHBondContact O-CB 3.4Å; F237-A240 PolarHBondContact O-N 2.91Å; A240-D244 HydrophobicContact CB-CB 4.23Å; A240-L245 HydrophobicContact CB-CD1 4.41Å; A240-L245 HydrophobicContact CB-CD2 3.57Å; A240-L245 HydrophobicContact CB-CG 3.93Å
241S96.7Very high95.5Very high56 Ų5660.2 Ų60.239%0.39236%0.363SS..  trans-75160.817572.20000111.4A243 D244 L245S241-A243 PolarHBondContact O-N 2.87Å; S241-A243 PolarHBondContact OG-N 3.1Å; S241-D244 WeakPolarHBondContact CB-OD2 3.39Å; S241-D244 PolarHBondContact N-OD2 2.84Å; S241-D244 WeakPolarHBondContact O-CA 3.29Å; S241-D244 WeakPolarHBondContact O-CB 3.49Å; S241-D244 PolarHBondContact O-N 2.92Å; S241-D244 PolarHBondContact OG-N 2.58Å; S241-D244 PolarHBondContact OG-OD2 3.22Å; S241-L245 WeakPolarHBondContact O-CG 3.43Å; S241-L245 PolarHBondContact O-N 2.92Å; S241-L245 VanDerWaalsContact O-N 3.14Å
242D96Very high95.3Very high63 Ų6360.7 Ų60.734%0.33737%0.367SS..Hα-helixtrans-51.9-40171.3-78.820.6000111.8S91 F230 D244 L245 V246S91-D242 WeakPolarHBondContact CB-OD2 3.41Å; S91-D242 PolarHBondContact OG-OD2 3.35Å; F230-D242 HydrophobicContact CE2-CB 4.38Å; F230-D242 HydrophobicContact CZ-CB 4.47Å; F230-D242 WeakPolarHBondContact CZ-OD1 3.47Å; D242-D244 PolarHBondContact O-N 3.38Å; D242-L245 PolarHBondContact O-N 3.29Å; D242-L245 VanDerWaalsContact O-N 3.1Å; D242-V246 WeakPolarHBondContact O-CB 3.4Å; D242-V246 WeakPolarHBondContact O-CG2 3.43Å; D242-V246 PolarHBondContact O-N 2.8Å
243A94.6Very high95.2Very high77 Ų7758 Ų5864%0.63636%0.357SS*.Hα-helixtrans-62.3-31.117800000112.8S241 P247S241-A243 PolarHBondContact O-N 2.87Å; S241-A243 PolarHBondContact OG-N 3.1Å; A243-P247 WeakPolarHBondContact O-CD 3.37Å
244D93.9Very high95.1Very high85 Ų8561.1 Ų61.146%0.45537%0.373SS..Hα-helixtrans-78.4-27175.9-58.3-50.2000112.8A240 S241 D242 K248A240-D244 HydrophobicContact CB-CB 4.23Å; S241-D244 WeakPolarHBondContact CB-OD2 3.39Å; S241-D244 PolarHBondContact N-OD2 2.84Å; S241-D244 WeakPolarHBondContact O-CA 3.29Å; S241-D244 WeakPolarHBondContact O-CB 3.49Å; S241-D244 PolarHBondContact O-N 2.92Å; S241-D244 PolarHBondContact OG-N 2.58Å; S241-D244 PolarHBondContact OG-OD2 3.22Å; D242-D244 PolarHBondContact O-N 3.38Å; D244-K248 WeakPolarHBondContact O-CD 3.46Å; D244-K248 WeakPolarHBondContact O-CE 3.39Å; D244-K248 PolarHBondContact O-NZ 2.88Å
245L96.4Very high95.2Very high0 Ų058.6 Ų58.60%036%0.361CS..Hα-helixtrans-93.4-39-174.2-62.7-171.7000113.4F230 L233 Q234 F237 A240 S241 D242 P247 K248F230-L245 HydrophobicContact CD2-CB 4.24Å; F230-L245 HydrophobicContact CE2-CB 4.25Å; F230-L245 HydrophobicContact CE2-CD1 4.44Å; L233-L245 HydrophobicContact CB-CD1 4.13Å; L233-L245 HydrophobicContact CB-CD2 3.95Å; L233-L245 HydrophobicContact CB-CG 4.46Å; Q234-L245 HydrophobicContact CB-CD1 4.31Å; Q234-L245 HydrophobicContact CG-CD1 3.55Å; F237-L245 HydrophobicContact CB-CD2 4.43Å; A240-L245 HydrophobicContact CB-CD1 4.41Å; A240-L245 HydrophobicContact CB-CD2 3.57Å; A240-L245 HydrophobicContact CB-CG 3.93Å; S241-L245 WeakPolarHBondContact O-CG 3.43Å; S241-L245 PolarHBondContact O-N 2.92Å; S241-L245 VanDerWaalsContact O-N 3.14Å; D242-L245 PolarHBondContact O-N 3.29Å; D242-L245 VanDerWaalsContact O-N 3.1Å; L245-P247 VanDerWaalsContact C-CD 3.45Å; L245-P247 VanDerWaalsContact C-N 3.32Å; L245-K248 WeakPolarHBondContact O-CA 3.4Å; L245-K248 WeakPolarHBondContact O-CB 3.48Å; L245-K248 PolarHBondContact O-N 2.84Å
246V96.6Very high95.2Very high43 Ų4354.5 Ų54.526%0.26133%0.334SS..G310 helixtrans-53.4-39.9-177.1167.30000113.5S91 D242 K248 L249S91-V246 VanDerWaalsContact O-CG2 3.32Å; S91-V246 WeakPolarHBondContact O-CG2 3.21Å; D242-V246 WeakPolarHBondContact O-CB 3.4Å; D242-V246 WeakPolarHBondContact O-CG2 3.43Å; D242-V246 PolarHBondContact O-N 2.8Å; V246-K248 PolarHBondContact O-N 2.93Å; V246-L249 HydrophobicContact CG2-CD1 4.41Å; V246-L249 WeakPolarHBondContact O-CG 3.31Å; V246-L249 PolarHBondContact O-N 2.78Å
247P94.2Very high95.4Very high91 Ų9153 Ų5359%0.59132%0.322SS*.G310 helixtrans-65.7-15.7174.8-23.535.6000114.8A243 L245A243-P247 WeakPolarHBondContact O-CD 3.37Å; L245-P247 VanDerWaalsContact C-CD 3.45Å; L245-P247 VanDerWaalsContact C-N 3.32Å
248K94.3Very high95.6Very high71 Ų7153.3 Ų53.331%0.30932%0.322SS..G310 helixtrans-100.4-3.5-174.7-57.8173.7-175.3165.80113.7R229 L233 D244 L245 V246R229-K248 PolarHBondContact NH2-O 3.36Å; L233-K248 HydrophobicContact CD1-CB 3.7Å; D244-K248 WeakPolarHBondContact O-CD 3.46Å; D244-K248 WeakPolarHBondContact O-CE 3.39Å; D244-K248 PolarHBondContact O-NZ 2.88Å; L245-K248 WeakPolarHBondContact O-CA 3.4Å; L245-K248 WeakPolarHBondContact O-CB 3.48Å; L245-K248 PolarHBondContact O-N 2.84Å; V246-K248 PolarHBondContact O-N 2.93Å
249L97.1Very high95.9Very high2 Ų247.5 Ų47.51%0.0128%0.284CS..SBendtrans-68.4-48.1-174.7-56-172.4000112.2F92 R226 R229 F230 L233 V246F92-L249 HydrophobicContact CB-CD1 3.71Å; R226-L249 HydrophobicContact CB-CB 4.19Å; R226-L249 HydrophobicContact CB-CD1 4.38Å; R226-L249 HydrophobicContact CG-CB 4.21Å; R229-L249 HydrophobicContact CB-CB 4.42Å; R229-L249 HydrophobicContact CB-CD2 4.24Å; R229-L249 WeakPolarHBondContact CG-O 3.29Å; R229-L249 PolarHBondContact NE-O 3.3Å; F230-L249 HydrophobicContact CB-CD1 3.94Å; F230-L249 HydrophobicContact CB-CD2 3.54Å; F230-L249 HydrophobicContact CB-CG 4.39Å; F230-L249 HydrophobicContact CD2-CD1 4.24Å; F230-L249 HydrophobicContact CD2-CD2 4Å; F230-L249 HydrophobicContact CG-CD1 4.41Å; F230-L249 HydrophobicContact CG-CD2 4.26Å; L233-L249 HydrophobicContact CD1-CD2 3.89Å; V246-L249 HydrophobicContact CG2-CD1 4.41Å; V246-L249 WeakPolarHBondContact O-CG 3.31Å; V246-L249 PolarHBondContact O-N 2.78Å
250S95.4Very high96.2Very high13 Ų1344.4 Ų44.49%0.09125%0.248CC..SBendtrans-147.4145.7173.364.10000108.4N181 A182 F222 R226N181-S250 WeakPolarHBondContact OD1-CA 3.46Å; A182-S250 WeakPolarHBondContact O-CB 3.16Å; F222-S250 WeakPolarHBondContact CZ-OG 3.32Å; R226-S250 PolarHBondContact NH1-OG 3.22Å
251R94.4Very high96.3Very high68 Ų6843.9 Ų43.926%0.25724%0.24SC..  trans-123.9122-176.1-60.2174.5-56.2-74.5-3109.3N181 D278N181-R251 PolarHBondContact ND2-O 2.88Å; N181-R251 PolarHBondContact OD1-N 2.97Å; R251-D278 IonicContact CZ-OD1 2.74Å; R251-D278 IonicContact NE-OD1 2.76Å; R251-D278 PolarHBondContact NE-OD1 2.84Å; R251-D278 IonicContact NE-OD2 3.08Å; R251-D278 IonicContact NH2-OD1 3.59Å; R251-D278 IonicContact NH2-OD2 3.04Å; R251-D278 PolarHBondContact NH2-OD2 3.46Å
252N94.3Very high96.4Very high70 Ų7041.6 Ų41.637%0.37422%0.224SC..  trans-70.6149.2162.3-64.4-21.2000108.5Y94 T183Y94-N252 PolarHBondContact OH-ND2 2.76Å; Y94-N252 VanDerWaalsContact OH-ND2 3.15Å; T183-N252 PolarHBondContact OG1-OD1 3.5Å
253Y96.1Very high96.3Very high24 Ų2439.3 Ų39.39%0.09422%0.216CC..  trans-71139.5179.1-56.9-51.1000111T183 Q196 T198 K255 E256 T276 M277 D278 M283T183-Y253 HydrophobicContact CG2-CD2 4.06Å; T183-Y253 HydrophobicContact CG2-CE2 3.53Å; Q196-Y253 PolarHBondContact NE2-OH 3.02Å; T198-Y253 VanDerWaalsContact CG2-OH 3.26Å; T198-Y253 WeakPolarHBondContact CG2-OH 3.44Å; Y253-K255 VanDerWaalsContact C-N 3.33Å; Y253-K255 PolarHBondContact O-N 2.95Å; Y253-E256 HydrophobicContact CD2-CG 3.91Å; Y253-E256 WeakPolarHBondContact CD2-OE1 3.19Å; Y253-E256 VanDerWaalsContact CD2-OE2 3.28Å; Y253-E256 WeakPolarHBondContact CD2-OE2 3.41Å; Y253-E256 HydrophobicContact CG-CG 4.17Å; Y253-T276 HydrophobicContact CD1-CG2 3.41Å; Y253-T276 VanDerWaalsContact CD1-CG2 3.41Å; Y253-T276 HydrophobicContact CD2-CG2 3.51Å; Y253-T276 HydrophobicContact CE1-CG2 3.57Å; Y253-T276 HydrophobicContact CE2-CG2 3.62Å; Y253-T276 HydrophobicContact CG-CG2 3.37Å; Y253-M277 WeakPolarHBondContact CA-O 3.35Å; Y253-D278 HydrophobicContact CD1-CB 3.71Å; Y253-D278 HydrophobicContact CE1-CB 3.77Å; Y253-M283 HydrophobicContact CE1-CE 4.44Å
254L95.4Very high96.2Very high73 Ų7339.5 Ų39.538%0.38221%0.21SC..SBendtrans-65.1-40.2-178.1-64.4178.9000111.4M277 A350L254-M277 HydrophobicContact CB-CB 4.31Å; L254-M277 HydrophobicContact CB-CG 4.06Å; L254-M277 HydrophobicContact CD1-CG 4.05Å; L254-M277 HydrophobicContact CG-CG 4.48Å; L254-M277 PolarHBondContact N-O 2.9Å; L254-A350 HydrophobicContact CB-CB 4.44Å
255K97.4Very high96.1Very high22 Ų2243.4 Ų43.410%0.09622%0.223CC..EExtended strand (participates in β ladder)trans-157.5149.1170.5-173.1164.4170.268.70109.8Y253 M277 D343 E346 W347 A350Y253-K255 VanDerWaalsContact C-N 3.33Å; Y253-K255 PolarHBondContact O-N 2.95Å; K255-M277 PolarHBondContact O-N 3.22Å; K255-D343 WeakPolarHBondContact CE-O 3.19Å; K255-D343 IonicContact NZ-OD1 2.92Å; K255-D343 PolarHBondContact NZ-OD1 3.16Å; K255-E346 HydrophobicContact CD-CB 3.68Å; K255-E346 IonicContact NZ-OE2 2.84Å; K255-E346 PolarHBondContact NZ-OE2 2.9Å; K255-W347 HydrophobicContact CB-CD2 4.47Å; K255-W347 HydrophobicContact CB-CE3 4.12Å; K255-W347 HydrophobicContact CB-CH2 4.21Å; K255-W347 HydrophobicContact CB-CZ3 3.99Å; K255-W347 HydrophobicContact CD-CB 4.33Å; K255-W347 HydrophobicContact CD-CD2 3.6Å; K255-W347 HydrophobicContact CD-CE3 4.04Å; K255-W347 HydrophobicContact CD-CG 3.73Å; K255-W347 HydrophobicContact CD-CZ2 4.43Å; K255-W347 VanDerWaalsContact CE-CG 3.42Å; K255-W347 VanDerWaalsContact CE-NE1 3.3Å; K255-W347 HydrophobicContact CG-CD2 3.96Å; K255-W347 HydrophobicContact CG-CE3 4.12Å; K255-W347 HydrophobicContact CG-CH2 4.1Å; K255-W347 HydrophobicContact CG-CZ2 3.96Å; K255-W347 HydrophobicContact CG-CZ3 4.19Å; K255-A350 HydrophobicContact CB-CB 4.25Å
256E98.3Very high96Very high38 Ų3846 Ų4618%0.17824%0.235CC..EExtended strand (participates in β ladder)trans-135.7158.9168.3-52.4-165.885.400110Q185 K188 Y253 W274 F275 T276Q185-E256 PolarHBondContact NE2-OE2 2.99Å; Q185-E256 PolarHBondContact OE1-OE2 3.38Å; K188-E256 IonicContact NZ-OE1 3.9Å; K188-E256 PolarHBondContact NZ-OE1 3.43Å; K188-E256 IonicContact NZ-OE2 3.61Å; K188-E256 PolarHBondContact NZ-OE2 2.95Å; Y253-E256 HydrophobicContact CD2-CG 3.91Å; Y253-E256 WeakPolarHBondContact CD2-OE1 3.19Å; Y253-E256 VanDerWaalsContact CD2-OE2 3.28Å; Y253-E256 WeakPolarHBondContact CD2-OE2 3.41Å; Y253-E256 HydrophobicContact CG-CG 4.17Å; E256-W274 HydrophobicContact CB-CH2 4.31Å; E256-W274 HydrophobicContact CB-CZ2 3.52Å; E256-W274 HydrophobicContact CG-CZ2 4.49Å; E256-W274 PolarHBondContact OE1-NE1 3.34Å; E256-F275 WeakPolarHBondContact CA-O 3.38Å; E256-T276 HydrophobicContact CG-CG2 4.04Å; E256-T276 WeakPolarHBondContact OE1-CB 3.44Å; E256-T276 WeakPolarHBondContact OE1-CG2 3.31Å; E256-T276 PolarHBondContact OE1-OG1 3.07Å
257G98.2Very high95.8Very high11 Ų1149.7 Ų49.711%0.11326%0.258CS..EExtended strand (participates in β ladder)trans155.2171.4178.200000112.5F275G257-F275 PolarHBondContact N-O 3.48Å; G257-F275 VanDerWaalsContact N-O 3.1Å; G257-F275 PolarHBondContact O-N 3.39Å
258Y98.6Very high95.8Very high79 Ų7948.4 Ų48.431%0.3124%0.244SC..EExtended strand (participates in β ladder)trans-77.7139.8173.9-75.6-75000111.2K272 R273 W274 P288Y258-K272 HydrophobicContact CD1-CD 4.1Å; Y258-K272 VanDerWaalsContact CD1-CE 3.44Å; Y258-K272 HydrophobicContact CD1-CG 3.6Å; Y258-K272 HydrophobicContact CE1-CG 4.27Å; Y258-K272 HydrophobicContact CG-CD 4.36Å; Y258-K272 HydrophobicContact CG-CG 4.19Å; Y258-R273 WeakPolarHBondContact CA-O 3.33Å; Y258-R273 WeakPolarHBondContact CD1-O 3.48Å; Y258-W274 HydrophobicContact CD1-CB 4.3Å; Y258-W274 HydrophobicContact CD1-CE3 4.4Å; Y258-W274 AromaticContact CD2-CE3 3.74Å; Y258-W274 HydrophobicContact CD2-CE3 3.74Å; Y258-W274 HydrophobicContact CD2-CZ3 4.03Å; Y258-W274 HydrophobicContact CE1-CB 4Å; Y258-W274 HydrophobicContact CE1-CE3 4.34Å; Y258-W274 AromaticContact CE2-CE3 3.67Å; Y258-W274 HydrophobicContact CE2-CE3 3.67Å; Y258-W274 HydrophobicContact CE2-CZ3 4.05Å; Y258-W274 HydrophobicContact CG-CE3 4.11Å; Y258-W274 AromaticContact CZ-CE3 3.98Å; Y258-P288 WeakPolarHBondContact OH-CD 3.44Å
259M98.7Very high95.9Very high0 Ų047.4 Ų47.40%025%0.254CS..EExtended strand (participates in β ladder)trans-137.3156162.3-67.2-174.8-72.900108.6K272 R273 F275 I325 F336 A337 C338 W347 F351M259-K272 WeakPolarHBondContact O-CA 3.23Å; M259-R273 PolarHBondContact N-O 3.34Å; M259-R273 PolarHBondContact O-N 2.87Å; M259-R273 VanDerWaalsContact O-O 3.14Å; M259-F275 HydrophobicContact CB-CD2 3.73Å; M259-F275 HydrophobicContact CB-CE2 3.63Å; M259-F275 HydrophobicContact CB-CZ 4.47Å; M259-F275 HydrophobicContact CE-CB 3.76Å; M259-F275 HydrophobicContact CE-CD1 3.74Å; M259-F275 HydrophobicContact CE-CD2 3.69Å; M259-F275 HydrophobicContact CE-CE1 4.16Å; M259-F275 HydrophobicContact CE-CE2 4.13Å; M259-F275 HydrophobicContact CE-CG 3.46Å; M259-F275 VanDerWaalsContact CE-CG 3.46Å; M259-F275 HydrophobicContact CE-CZ 4.32Å; M259-F275 HydrophobicContact CG-CD2 4.36Å; M259-I325 HydrophobicContact SD-CD1 4.36Å; M259-F336 HydrophobicContact CB-CB 4.48Å; M259-F336 HydrophobicContact CE-CD2 4.24Å; M259-F336 HydrophobicContact CE-CG 4.48Å; M259-F336 HydrophobicContact SD-CB 3.99Å; M259-A337 CarbonylContact C-O 3.46Å; M259-A337 VanDerWaalsContact CA-O 3.24Å; M259-A337 WeakPolarHBondContact CA-O 3.48Å; M259-A337 VanDerWaalsContact CB-O 3.32Å; M259-A337 WeakPolarHBondContact CB-O 3.39Å; M259-C338 VanDerWaalsContact SD-SG 3.62Å; M259-W347 HydrophobicContact CE-CD2 3.64Å; M259-W347 HydrophobicContact CE-CE3 3.89Å; M259-W347 HydrophobicContact CE-CG 4.18Å; M259-W347 HydrophobicContact CE-CH2 4.07Å; M259-W347 HydrophobicContact CE-CZ2 3.8Å; M259-W347 HydrophobicContact CE-CZ3 4.09Å; M259-W347 HydrophobicContact SD-CB 4.39Å; M259-W347 VanDerWaalsContact SD-CD1 3.53Å; M259-W347 HydrophobicContact SD-CD2 3.8Å; M259-W347 HydrophobicContact SD-CG 3.69Å; M259-F351 HydrophobicContact CE-CZ 4.32Å
260E98.5Very high95.9Very high14 Ų1448.1 Ų48.17%0.06526%0.257CS..EExtended strand (participates in β ladder)trans-84.8149.7163.3-56.1-171.5121.900110.4F270 R271 H320 W321 F336 A337E260-F270 HydrophobicContact CB-CB 4.11Å; E260-F270 HydrophobicContact CB-CD1 3.85Å; E260-F270 HydrophobicContact CB-CG 4.47Å; E260-R271 WeakPolarHBondContact CA-O 3.5Å; E260-H320 IonicContact OE1-CG 3.8Å; E260-H320 IonicContact OE1-ND1 2.7Å; E260-H320 PolarHBondContact OE1-ND1 3.34Å; E260-H320 PolarHBondContact OE2-N 3Å; E260-W321 HydrophobicContact CG-CB 4.39Å; E260-W321 HydrophobicContact CG-CD2 3.89Å; E260-W321 HydrophobicContact CG-CE3 3.75Å; E260-W321 HydrophobicContact CG-CG 4.19Å; E260-W321 HydrophobicContact CG-CZ3 4.43Å; E260-W321 PolarHBondContact OE2-N 3.06Å; E260-F336 CarbonylContact O-C 3.57Å; E260-F336 WeakPolarHBondContact O-CA 3.25Å; E260-A337 HydrophobicContact CB-CB 4Å; E260-A337 PolarHBondContact N-O 3.44Å; E260-A337 PolarHBondContact O-N 3.38Å
261K98.1Very high96Very high21 Ų2155.1 Ų55.19%0.09128%0.281CS..EExtended strand (participates in β ladder)trans-142.1149.8172.263.8167.5-57.1-58.70112.8F270 R271 R273 F275 Y284 L335 F336K261-F270 CarbonylContact O-C 3.56Å; K261-F270 WeakPolarHBondContact O-CA 3.31Å; K261-R271 PolarHBondContact N-O 3.12Å; K261-R271 PolarHBondContact O-N 3.43Å; K261-R273 HydrophobicContact CD-CG 4.06Å; K261-R273 HydrophobicContact CG-CG 4.01Å; K261-F275 HydrophobicContact CB-CZ 4.03Å; K261-F275 HydrophobicContact CD-CZ 3.8Å; K261-F275 HydrophobicContact CG-CZ 4.08Å; K261-Y284 HydrophobicContact CD-CD1 4.21Å; K261-Y284 HydrophobicContact CD-CD2 3.83Å; K261-Y284 HydrophobicContact CD-CE1 4.3Å; K261-Y284 HydrophobicContact CD-CE2 3.95Å; K261-Y284 HydrophobicContact CD-CG 3.98Å; K261-L335 WeakPolarHBondContact CA-O 3.42Å; K261-F336 HydrophobicContact CB-CD1 3.69Å; K261-F336 HydrophobicContact CB-CE1 4Å
262T97.3Very high96.2Very high8 Ų856.5 Ų56.55%0.04929%0.29CS..  trans-98.3174.3169-175.40000112.2Q266 E268 F270 L335T262-Q266 HydrophobicContact CG2-CB 4.24Å; T262-Q266 HydrophobicContact CG2-CG 4.35Å; T262-E268 WeakPolarHBondContact CB-O 3.23Å; T262-E268 PolarHBondContact OG1-O 3.23Å; T262-F270 HydrophobicContact CG2-CE1 4.39Å; T262-F270 HydrophobicContact CG2-CE2 4.11Å; T262-F270 HydrophobicContact CG2-CZ 3.91Å; T262-L335 HydrophobicContact CG2-CB 3.97Å; T262-L335 HydrophobicContact CG2-CD1 4.18Å; T262-L335 HydrophobicContact CG2-CG 4.3Å
263G93.9Very high96.4Very high16 Ų1655.6 Ų55.617%0.16528%0.281CS..  trans-82.6-17617700000113.3K265 Q266 E268G263-K265 VanDerWaalsContact C-N 3.28Å; G263-K265 PolarHBondContact O-N 3.13Å; G263-Q266 PolarHBondContact O-N 3.32Å; G263-Q266 VanDerWaalsContact O-N 3.17Å; G263-E268 VanDerWaalsContact CA-OE2 3.25Å; G263-E268 WeakPolarHBondContact CA-OE2 3.49Å; G263-E268 PolarHBondContact N-OE2 3.19Å
264P92.6Very high96.5Very high81 Ų8156.5 Ų56.553%0.52628%0.284SS..THydrogen-bonded Turntrans-62.5-30.6-177.6-21.733.5000114.1Q266P264-Q266 VanDerWaalsContact C-N 3.26Å
265K92.7Very high96.7Very high167 Ų16753 Ų5373%0.72627%0.266SS*.THydrogen-bonded Turntrans-79-13178.9-60-179.1178.7-177.50112.6G263 T267 E268G263-K265 VanDerWaalsContact C-N 3.28Å; G263-K265 PolarHBondContact O-N 3.13Å; K265-T267 PolarHBondContact O-N 3.48Å; K265-E268 PolarHBondContact N-OE1 3.49Å; K265-E268 PolarHBondContact N-OE2 2.88Å
266Q93.3Very high96.7Very high53 Ų5352 Ų5225%0.24826%0.262CS..SBendtrans64.21.5-177.7-55.7165.824.900114.5T262 G263 P264 E268 L335T262-Q266 HydrophobicContact CG2-CB 4.24Å; T262-Q266 HydrophobicContact CG2-CG 4.35Å; G263-Q266 PolarHBondContact O-N 3.32Å; G263-Q266 VanDerWaalsContact O-N 3.17Å; P264-Q266 VanDerWaalsContact C-N 3.26Å; Q266-E268 PolarHBondContact N-OE2 3.38Å; Q266-L335 HydrophobicContact CB-CD1 4.06Å; Q266-L335 HydrophobicContact CG-CD1 3.95Å; Q266-L335 HydrophobicContact CG-CG 4.32Å
267T92.6Very high96.7Very high122 Ų12250.2 Ų50.275%0.74825%0.253SS*.  trans-102-10.3174.660.90000111.7K265K265-T267 PolarHBondContact O-N 3.48Å
268E95.1Very high96.5Very high63 Ų6350.4 Ų50.429%0.29425%0.252SS..SBendtrans-67.6144.6172.1-55.195.3151.400110.1T262 G263 K265 Q266 F270T262-E268 WeakPolarHBondContact CB-O 3.23Å; T262-E268 PolarHBondContact OG1-O 3.23Å; G263-E268 VanDerWaalsContact CA-OE2 3.25Å; G263-E268 WeakPolarHBondContact CA-OE2 3.49Å; G263-E268 PolarHBondContact N-OE2 3.19Å; K265-E268 PolarHBondContact N-OE1 3.49Å; K265-E268 PolarHBondContact N-OE2 2.88Å; Q266-E268 PolarHBondContact N-OE2 3.38Å; E268-F270 PolarHBondContact O-N 2.96Å
269G95Very high96.3Very high50 Ų5048.9 Ų48.952%0.51525%0.249SC..PPolyproline II helixtrans-57.1141.8178.200000112.4
270F97.9Very high96.2Very high17 Ų1749.2 Ų49.28%0.07525%0.25CS..PPolyproline II helixtrans-65142176.5-83.1-107.7000110.8E260 K261 T262 E268 F312 T316 Q317 G318 H319 L335E260-F270 HydrophobicContact CB-CB 4.11Å; E260-F270 HydrophobicContact CB-CD1 3.85Å; E260-F270 HydrophobicContact CB-CG 4.47Å; K261-F270 CarbonylContact O-C 3.56Å; K261-F270 WeakPolarHBondContact O-CA 3.31Å; T262-F270 HydrophobicContact CG2-CE1 4.39Å; T262-F270 HydrophobicContact CG2-CE2 4.11Å; T262-F270 HydrophobicContact CG2-CZ 3.91Å; E268-F270 PolarHBondContact O-N 2.96Å; F270-F312 HydrophobicContact CE1-CE1 4.41Å; F270-F312 HydrophobicContact CE1-CZ 4.18Å; F270-F312 HydrophobicContact CZ-CE1 4.49Å; F270-F312 HydrophobicContact CZ-CZ 4.42Å; F270-T316 HydrophobicContact CE2-CG2 3.88Å; F270-T316 HydrophobicContact CZ-CG2 3.74Å; F270-Q317 WeakPolarHBondContact CE2-O 3.45Å; F270-G318 WeakPolarHBondContact CB-O 3.46Å; F270-H319 HydrophobicContact CB-CB 4.36Å; F270-H319 HydrophobicContact CD1-CB 3.79Å; F270-H319 HydrophobicContact CD2-CB 3.76Å; F270-H319 HydrophobicContact CE1-CB 3.94Å; F270-H319 HydrophobicContact CE2-CB 3.91Å; F270-H319 HydrophobicContact CG-CB 3.7Å; F270-H319 HydrophobicContact CZ-CB 3.99Å; F270-L335 HydrophobicContact CE1-CB 4.46Å; F270-L335 HydrophobicContact CZ-CB 4.21Å
271R97.9Very high96.1Very high160 Ų16050.1 Ų50.160%0.60425%0.253SS*.EExtended strand (participates in β ladder)trans-131.4128.3178.7-58.2-174.7179.8-101.77.5110.5E260 K261 R273E260-R271 WeakPolarHBondContact CA-O 3.5Å; K261-R271 PolarHBondContact N-O 3.12Å; K261-R271 PolarHBondContact O-N 3.43Å; R271-R273 VanDerWaalsContact CD-NH2 3.27Å; R271-R273 PolarHBondContact O-N 3.06Å
272K98.2Very high96.1Very high98 Ų9849.1 Ų49.143%0.42625%0.249SC..EExtended strand (participates in β ladder)trans-60.6129.4170.7-174.3169.2-179.9167.50110.9Y258 M259 W321Y258-K272 HydrophobicContact CD1-CD 4.1Å; Y258-K272 VanDerWaalsContact CD1-CE 3.44Å; Y258-K272 HydrophobicContact CD1-CG 3.6Å; Y258-K272 HydrophobicContact CE1-CG 4.27Å; Y258-K272 HydrophobicContact CG-CD 4.36Å; Y258-K272 HydrophobicContact CG-CG 4.19Å; M259-K272 WeakPolarHBondContact O-CA 3.23Å; K272-W321 HydrophobicContact CD-CH2 4Å; K272-W321 HydrophobicContact CD-CZ2 4.16Å; K272-W321 HydrophobicContact CG-CH2 4.3Å
273R98.5Very high96.1Very high51 Ų5148.8 Ų48.819%0.19225%0.246CC..EExtended strand (participates in β ladder)trans-140146.5178.1-64.9-66.9178.5-99.55.1109.7Y258 M259 K261 R271 F275 Y284 F285Y258-R273 WeakPolarHBondContact CA-O 3.33Å; Y258-R273 WeakPolarHBondContact CD1-O 3.48Å; M259-R273 PolarHBondContact N-O 3.34Å; M259-R273 PolarHBondContact O-N 2.87Å; M259-R273 VanDerWaalsContact O-O 3.14Å; K261-R273 HydrophobicContact CD-CG 4.06Å; K261-R273 HydrophobicContact CG-CG 4.01Å; R271-R273 VanDerWaalsContact CD-NH2 3.27Å; R271-R273 PolarHBondContact O-N 3.06Å; R273-F275 HydrophobicContact CB-CD2 4.14Å; R273-F275 HydrophobicContact CB-CE2 3.7Å; R273-F275 HydrophobicContact CB-CZ 4.42Å; R273-F275 WeakPolarHBondContact O-CD2 3.45Å; R273-Y284 HydrophobicContact CG-CD2 4.31Å; R273-F285 CarbonylContact C-O 3.58Å; R273-F285 VanDerWaalsContact CA-O 3.27Å; R273-F285 WeakPolarHBondContact CA-O 3.17Å; R273-F285 WeakPolarHBondContact CB-O 3.18Å; R273-F285 WeakPolarHBondContact CD-O 3.3Å
274W98.5Very high96.2Very high43 Ų4349.4 Ų49.416%0.16324%0.244CC..EExtended strand (participates in β ladder)trans-79.2123.6168.1179.7-93.1000108.7E256 Y258 T276 Y284 F285 P288E256-W274 HydrophobicContact CB-CH2 4.31Å; E256-W274 HydrophobicContact CB-CZ2 3.52Å; E256-W274 HydrophobicContact CG-CZ2 4.49Å; E256-W274 PolarHBondContact OE1-NE1 3.34Å; Y258-W274 HydrophobicContact CD1-CB 4.3Å; Y258-W274 HydrophobicContact CD1-CE3 4.4Å; Y258-W274 AromaticContact CD2-CE3 3.74Å; Y258-W274 HydrophobicContact CD2-CE3 3.74Å; Y258-W274 HydrophobicContact CD2-CZ3 4.03Å; Y258-W274 HydrophobicContact CE1-CB 4Å; Y258-W274 HydrophobicContact CE1-CE3 4.34Å; Y258-W274 AromaticContact CE2-CE3 3.67Å; Y258-W274 HydrophobicContact CE2-CE3 3.67Å; Y258-W274 HydrophobicContact CE2-CZ3 4.05Å; Y258-W274 HydrophobicContact CG-CE3 4.11Å; Y258-W274 AromaticContact CZ-CE3 3.98Å; W274-T276 PolarHBondContact NE1-OG1 3.25Å; W274-Y284 CarbonylContact O-C 3.59Å; W274-Y284 VanDerWaalsContact O-CA 3.24Å; W274-Y284 WeakPolarHBondContact O-CA 3.46Å; W274-F285 HydrophobicContact CB-CB 4.39Å; W274-F285 PolarHBondContact N-O 2.87Å; W274-F285 PolarHBondContact O-N 2.93Å; W274-P288 HydrophobicContact CB-CB 4.47Å; W274-P288 HydrophobicContact CB-CG 4.06Å; W274-P288 HydrophobicContact CD2-CB 3.85Å; W274-P288 HydrophobicContact CD2-CG 3.64Å; W274-P288 HydrophobicContact CE3-CB 4.38Å; W274-P288 HydrophobicContact CE3-CG 3.74Å; W274-P288 HydrophobicContact CG-CB 3.87Å; W274-P288 HydrophobicContact CG-CG 3.79Å; W274-P288 HydrophobicContact CZ3-CG 4.41Å
275F98.7Very high96.5Very high0 Ų045.6 Ų45.60%022%0.219CC..EExtended strand (participates in β ladder)trans-105.2145.5177.4-74.7-102.7000110.9E256 G257 M259 K261 R273 L282 M283 Y284 F336 W347E256-F275 WeakPolarHBondContact CA-O 3.38Å; G257-F275 PolarHBondContact N-O 3.48Å; G257-F275 VanDerWaalsContact N-O 3.1Å; G257-F275 PolarHBondContact O-N 3.39Å; M259-F275 HydrophobicContact CB-CD2 3.73Å; M259-F275 HydrophobicContact CB-CE2 3.63Å; M259-F275 HydrophobicContact CB-CZ 4.47Å; M259-F275 HydrophobicContact CE-CB 3.76Å; M259-F275 HydrophobicContact CE-CD1 3.74Å; M259-F275 HydrophobicContact CE-CD2 3.69Å; M259-F275 HydrophobicContact CE-CE1 4.16Å; M259-F275 HydrophobicContact CE-CE2 4.13Å; M259-F275 HydrophobicContact CE-CG 3.46Å; M259-F275 VanDerWaalsContact CE-CG 3.46Å; M259-F275 HydrophobicContact CE-CZ 4.32Å; M259-F275 HydrophobicContact CG-CD2 4.36Å; K261-F275 HydrophobicContact CB-CZ 4.03Å; K261-F275 HydrophobicContact CD-CZ 3.8Å; K261-F275 HydrophobicContact CG-CZ 4.08Å; R273-F275 HydrophobicContact CB-CD2 4.14Å; R273-F275 HydrophobicContact CB-CE2 3.7Å; R273-F275 HydrophobicContact CB-CZ 4.42Å; R273-F275 WeakPolarHBondContact O-CD2 3.45Å; F275-L282 HydrophobicContact CB-CD1 4.26Å; F275-L282 HydrophobicContact CD1-CD1 3.74Å; F275-L282 HydrophobicContact CD1-CD2 4.03Å; F275-L282 HydrophobicContact CD1-CG 3.9Å; F275-L282 HydrophobicContact CE1-CD2 4.15Å; F275-L282 HydrophobicContact CE1-CG 4.42Å; F275-L282 HydrophobicContact CG-CD1 4.49Å; F275-M283 CarbonylContact C-O 3.51Å; F275-M283 VanDerWaalsContact CA-O 3.28Å; F275-M283 WeakPolarHBondContact CA-O 3.33Å; F275-Y284 AromaticContact CE1-CD1 3.97Å; F275-Y284 HydrophobicContact CE1-CD1 3.97Å; F275-Y284 HydrophobicContact CE1-CG 4.11Å; F275-Y284 HydrophobicContact CZ-CG 4.37Å; F275-F336 HydrophobicContact CE1-CD1 4.21Å; F275-F336 AromaticContact CE1-CE1 3.84Å; F275-F336 HydrophobicContact CE1-CE1 3.84Å; F275-F336 HydrophobicContact CE1-CE2 4.34Å; F275-F336 AromaticContact CE1-CZ 3.91Å; F275-F336 HydrophobicContact CE1-CZ 3.91Å; F275-F336 AromaticContact CZ-CD1 3.88Å; F275-F336 HydrophobicContact CZ-CD1 3.88Å; F275-F336 AromaticContact CZ-CE1 3.86Å; F275-F336 HydrophobicContact CZ-CE1 3.86Å; F275-F336 HydrophobicContact CZ-CG 4.45Å; F275-F336 HydrophobicContact CZ-CZ 4.38Å; F275-W347 HydrophobicContact CB-CH2 3.54Å; F275-W347 HydrophobicContact CB-CZ2 3.79Å; F275-W347 HydrophobicContact CB-CZ3 4.37Å
276T98.3Very high96.7Very high1 Ų144 Ų441%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-134.1122.4174.3-60.90000108.6Y253 E256 W274 M283Y253-T276 HydrophobicContact CD1-CG2 3.41Å; Y253-T276 VanDerWaalsContact CD1-CG2 3.41Å; Y253-T276 HydrophobicContact CD2-CG2 3.51Å; Y253-T276 HydrophobicContact CE1-CG2 3.57Å; Y253-T276 HydrophobicContact CE2-CG2 3.62Å; Y253-T276 HydrophobicContact CG-CG2 3.37Å; E256-T276 HydrophobicContact CG-CG2 4.04Å; E256-T276 WeakPolarHBondContact OE1-CB 3.44Å; E256-T276 WeakPolarHBondContact OE1-CG2 3.31Å; E256-T276 PolarHBondContact OE1-OG1 3.07Å; W274-T276 PolarHBondContact NE1-OG1 3.25Å; T276-M283 HydrophobicContact CG2-CE 3.74Å; T276-M283 PolarHBondContact N-O 3.44Å; T276-M283 PolarHBondContact O-N 3.37Å
277M97.8Very high96.8Very high0 Ų044.8 Ų44.80%022%0.218CC..EExtended strand (participates in β ladder)trans-99.3100174.8-17464.2170.300110.3Y253 L254 K255 D279 L282 I299 W347 F351 A354Y253-M277 WeakPolarHBondContact CA-O 3.35Å; L254-M277 HydrophobicContact CB-CB 4.31Å; L254-M277 HydrophobicContact CB-CG 4.06Å; L254-M277 HydrophobicContact CD1-CG 4.05Å; L254-M277 HydrophobicContact CG-CG 4.48Å; L254-M277 PolarHBondContact N-O 2.9Å; K255-M277 PolarHBondContact O-N 3.22Å; M277-D279 WeakPolarHBondContact CE-O 3.33Å; M277-L282 HydrophobicContact CB-CD1 4.37Å; M277-L282 HydrophobicContact SD-CB 4Å; M277-L282 HydrophobicContact SD-CD1 4.21Å; M277-I299 HydrophobicContact CE-CB 3.96Å; M277-I299 HydrophobicContact CE-CG1 3.81Å; M277-I299 HydrophobicContact CE-CG2 4.3Å; M277-I299 HydrophobicContact SD-CG1 4.21Å; M277-W347 HydrophobicContact CB-CZ3 4.04Å; M277-F351 HydrophobicContact CE-CD1 4.07Å; M277-F351 HydrophobicContact CE-CE1 4.48Å; M277-F351 HydrophobicContact SD-CD1 4.27Å; M277-F351 HydrophobicContact SD-CE1 4.09Å; M277-A354 HydrophobicContact CE-CB 3.84Å
278D95.4Very high97Very high15 Ų1539.8 Ų39.88%0.0819%0.188CC..EExtended strand (participates in β ladder)trans-98.897.7171.9-1767.9000109.2R251 Y253 R280 R281 M283R251-D278 IonicContact CZ-OD1 2.74Å; R251-D278 IonicContact NE-OD1 2.76Å; R251-D278 PolarHBondContact NE-OD1 2.84Å; R251-D278 IonicContact NE-OD2 3.08Å; R251-D278 IonicContact NH2-OD1 3.59Å; R251-D278 IonicContact NH2-OD2 3.04Å; R251-D278 PolarHBondContact NH2-OD2 3.46Å; Y253-D278 HydrophobicContact CD1-CB 3.71Å; Y253-D278 HydrophobicContact CE1-CB 3.77Å; D278-R280 PolarHBondContact O-N 3.17Å; D278-R281 PolarHBondContact N-O 2.69Å; D278-R281 PolarHBondContact O-N 2.99Å; D278-M283 HydrophobicContact CB-CE 3.87Å
279D94.4Very high97.1Very high47 Ų4738.4 Ų38.425%0.25118%0.182SC..THydrogen-bonded Turntrans55.9-97.8-178.1-16831.4000113.1M277 R357M277-D279 WeakPolarHBondContact CE-O 3.33Å; D279-R357 VanDerWaalsContact CG-NH2 3.31Å; D279-R357 IonicContact OD1-CZ 3.76Å; D279-R357 VanDerWaalsContact OD1-CZ 3.22Å; D279-R357 IonicContact OD1-NH1 3.46Å; D279-R357 PolarHBondContact OD1-NH1 3.06Å; D279-R357 IonicContact OD1-NH2 2.86Å; D279-R357 PolarHBondContact OD1-NH2 2.93Å; D279-R357 IonicContact OD2-NH2 3.59Å; D279-R357 PolarHBondContact OD2-NH2 3.48Å
280R95.9Very high97.2Very high7 Ų737.8 Ų37.83%0.02617%0.167CC..THydrogen-bonded Turntrans-103.3-5.1173.8-65.3-170.8178-75.8-1.1114.1D278 F298 I299 G300 A354 R357 P358 E363D278-R280 PolarHBondContact O-N 3.17Å; R280-F298 HydrophobicContact CB-CD2 4.1Å; R280-F298 HydrophobicContact CB-CE2 3.73Å; R280-F298 HydrophobicContact CB-CZ 4.2Å; R280-F298 HydrophobicContact CG-CE2 4.46Å; R280-F298 CarbonylContact O-C 3.56Å; R280-F298 WeakPolarHBondContact O-CA 3.5Å; R280-I299 WeakPolarHBondContact CB-O 3.48Å; R280-I299 WeakPolarHBondContact CD-O 3.09Å; R280-I299 WeakPolarHBondContact CG-O 3.15Å; R280-I299 PolarHBondContact NH1-O 3.5Å; R280-I299 PolarHBondContact O-N 2.89Å; R280-G300 PolarHBondContact NH1-O 3.34Å; R280-A354 PolarHBondContact NH1-O 2.91Å; R280-R357 PolarHBondContact NH2-O 3.41Å; R280-P358 PolarHBondContact NH2-O 3.48Å; R280-E363 WeakPolarHBondContact CD-OE1 3.5Å; R280-E363 IonicContact CZ-OE2 2.68Å; R280-E363 IonicContact NE-OE1 2.76Å; R280-E363 PolarHBondContact NE-OE1 3.07Å; R280-E363 IonicContact NE-OE2 3.46Å; R280-E363 PolarHBondContact NE-OE2 3.03Å; R280-E363 IonicContact NH2-OE2 2.63Å; R280-E363 PolarHBondContact NH2-OE2 3.23Å
281R95.6Very high97.2Very high33 Ų3337.4 Ų37.413%0.12517%0.167CC..EExtended strand (participates in β ladder)trans-98.8104.7-175.8-176176.9-76.2-123.65.9109.7L200 T205 D278 M283 E296 F370L200-R281 VanDerWaalsContact CD1-NH1 3.33Å; T205-R281 WeakPolarHBondContact OG1-CD 3.44Å; T205-R281 PolarHBondContact OG1-NH1 3.18Å; D278-R281 PolarHBondContact N-O 2.69Å; D278-R281 PolarHBondContact O-N 2.99Å; R281-M283 HydrophobicContact CG-CG 3.94Å; R281-M283 HydrophobicContact CG-SD 4.46Å; R281-E296 WeakPolarHBondContact CD-OE2 3.31Å; R281-E296 IonicContact CZ-OE2 3.88Å; R281-E296 IonicContact NE-OE2 3.22Å; R281-E296 IonicContact NH1-OE1 3Å; R281-E296 IonicContact NH1-OE2 2.81Å; R281-E296 PolarHBondContact NH1-OE2 2.83Å; R281-F370 HydrophobicContact CG-CZ 4.07Å
282L97.6Very high97Very high0 Ų032.2 Ų32.20%015%0.149CC..EExtended strand (participates in β ladder)trans-87.5116.4171-179.166.7000109.5F275 M277 E296 V297 I299 F336 W347 F351F275-L282 HydrophobicContact CB-CD1 4.26Å; F275-L282 HydrophobicContact CD1-CD1 3.74Å; F275-L282 HydrophobicContact CD1-CD2 4.03Å; F275-L282 HydrophobicContact CD1-CG 3.9Å; F275-L282 HydrophobicContact CE1-CD2 4.15Å; F275-L282 HydrophobicContact CE1-CG 4.42Å; F275-L282 HydrophobicContact CG-CD1 4.49Å; M277-L282 HydrophobicContact CB-CD1 4.37Å; M277-L282 HydrophobicContact SD-CB 4Å; M277-L282 HydrophobicContact SD-CD1 4.21Å; L282-E296 CarbonylContact O-C 3.52Å; L282-E296 WeakPolarHBondContact O-CA 3.17Å; L282-V297 HydrophobicContact CB-CB 4.23Å; L282-V297 PolarHBondContact N-O 3Å; L282-V297 PolarHBondContact O-N 2.83Å; L282-I299 HydrophobicContact CB-CD1 4.33Å; L282-I299 HydrophobicContact CB-CG1 4.15Å; L282-I299 HydrophobicContact CD2-CD1 4.46Å; L282-F336 HydrophobicContact CD2-CE2 3.62Å; L282-F336 HydrophobicContact CD2-CZ 3.8Å; L282-W347 HydrophobicContact CD1-CZ3 4.15Å; L282-F351 HydrophobicContact CD1-CE1 3.86Å; L282-F351 HydrophobicContact CD1-CZ 4.08Å; L282-F351 HydrophobicContact CD2-CE1 3.75Å; L282-F351 HydrophobicContact CD2-CZ 3.88Å; L282-F351 HydrophobicContact CG-CE1 4.28Å
283M97.4Very high96.8Very high0 Ų028.3 Ų28.30%014%0.135CC..EExtended strand (participates in β ladder)trans-109.9144.8178.1-59.6168.4-78.400109.6T205 Y253 F275 T276 D278 R281 F285 A293 E296T205-M283 VanDerWaalsContact CB-SD 3.58Å; T205-M283 HydrophobicContact CG2-SD 3.57Å; T205-M283 VanDerWaalsContact CG2-SD 3.57Å; Y253-M283 HydrophobicContact CE1-CE 4.44Å; F275-M283 CarbonylContact C-O 3.51Å; F275-M283 VanDerWaalsContact CA-O 3.28Å; F275-M283 WeakPolarHBondContact CA-O 3.33Å; T276-M283 HydrophobicContact CG2-CE 3.74Å; T276-M283 PolarHBondContact N-O 3.44Å; T276-M283 PolarHBondContact O-N 3.37Å; D278-M283 HydrophobicContact CB-CE 3.87Å; R281-M283 HydrophobicContact CG-CG 3.94Å; R281-M283 HydrophobicContact CG-SD 4.46Å; M283-F285 HydrophobicContact CB-CE2 3.53Å; M283-F285 HydrophobicContact CB-CZ 3.77Å; M283-F285 HydrophobicContact SD-CZ 4.21Å; M283-A293 HydrophobicContact CB-CB 4.18Å; M283-E296 HydrophobicContact CG-CG 4.06Å
284Y97.8Very high96.6Very high29 Ų2933 Ų3311%0.11415%0.153CC..EExtended strand (participates in β ladder)trans-131.2137.6173.158.2-96.5000113.2K261 R273 W274 F275 R294 G295 V297K261-Y284 HydrophobicContact CD-CD1 4.21Å; K261-Y284 HydrophobicContact CD-CD2 3.83Å; K261-Y284 HydrophobicContact CD-CE1 4.3Å; K261-Y284 HydrophobicContact CD-CE2 3.95Å; K261-Y284 HydrophobicContact CD-CG 3.98Å; R273-Y284 HydrophobicContact CG-CD2 4.31Å; W274-Y284 CarbonylContact O-C 3.59Å; W274-Y284 VanDerWaalsContact O-CA 3.24Å; W274-Y284 WeakPolarHBondContact O-CA 3.46Å; F275-Y284 AromaticContact CE1-CD1 3.97Å; F275-Y284 HydrophobicContact CE1-CD1 3.97Å; F275-Y284 HydrophobicContact CE1-CG 4.11Å; F275-Y284 HydrophobicContact CZ-CG 4.37Å; Y284-R294 HydrophobicContact CD2-CB 3.82Å; Y284-R294 HydrophobicContact CE2-CB 3.76Å; Y284-R294 WeakPolarHBondContact O-CB 3.45Å; Y284-R294 PolarHBondContact O-N 3.21Å; Y284-G295 WeakPolarHBondContact CD1-O 3.45Å; Y284-G295 VanDerWaalsContact CE2-N 3.34Å; Y284-G295 PolarHBondContact N-O 2.92Å; Y284-G295 VanDerWaalsContact N-O 3.09Å; Y284-G295 WeakPolarHBondContact OH-CA 3.17Å; Y284-V297 HydrophobicContact CE1-CG2 4.2Å
285F97.4Very high96.4Very high1 Ų131.8 Ų31.80%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-125.1158.6-171-54.6-95.5000111N207 R273 W274 M283 D287 D290 F292 A293N207-F285 WeakPolarHBondContact ND2-CE1 3.46Å; N207-F285 WeakPolarHBondContact ND2-CZ 3.42Å; R273-F285 CarbonylContact C-O 3.58Å; R273-F285 VanDerWaalsContact CA-O 3.27Å; R273-F285 WeakPolarHBondContact CA-O 3.17Å; R273-F285 WeakPolarHBondContact CB-O 3.18Å; R273-F285 WeakPolarHBondContact CD-O 3.3Å; W274-F285 HydrophobicContact CB-CB 4.39Å; W274-F285 PolarHBondContact N-O 2.87Å; W274-F285 PolarHBondContact O-N 2.93Å; M283-F285 HydrophobicContact CB-CE2 3.53Å; M283-F285 HydrophobicContact CB-CZ 3.77Å; M283-F285 HydrophobicContact SD-CZ 4.21Å; F285-D287 VanDerWaalsContact CB-O 3.22Å; F285-D287 WeakPolarHBondContact CB-O 3.22Å; F285-D290 HydrophobicContact CB-CB 4.2Å; F285-D290 HydrophobicContact CD1-CB 3.9Å; F285-F292 WeakPolarHBondContact CD1-O 3.45Å; F285-A293 VanDerWaalsContact CD1-CA 3.5Å; F285-A293 HydrophobicContact CD1-CB 4.17Å; F285-A293 HydrophobicContact CE1-CB 3.7Å; F285-A293 VanDerWaalsContact CE1-N 3.27Å; F285-A293 HydrophobicContact CZ-CB 3.89Å
286K96.7Very high96.2Very high133 Ų13333.1 Ų33.158%0.57816%0.16SC*.SBendtrans-75.2-46.3170.4-178.6-173.6174.2-172.50108.8D290K286-D290 WeakPolarHBondContact CA-OD2 3.06Å; K286-D290 VanDerWaalsContact CB-OD2 3.31Å; K286-D290 WeakPolarHBondContact CB-OD2 3.41Å; K286-D290 PolarHBondContact N-OD2 3.07Å
287D96.3Very high96.1Very high70 Ų7033.4 Ų33.437%0.37416%0.161SC..SBendtrans-122.2144.7175.9-173.6-89000110.4F285 L289 D290F285-D287 VanDerWaalsContact CB-O 3.22Å; F285-D287 WeakPolarHBondContact CB-O 3.22Å; D287-L289 PolarHBondContact O-N 3.02Å; D287-L289 VanDerWaalsContact O-N 3.12Å; D287-L289 WeakPolarHBondContact OD1-CB 3.23Å; D287-L289 PolarHBondContact OD1-N 3.41Å; D287-D290 PolarHBondContact N-OD2 3.4Å; D287-D290 VanDerWaalsContact O-CB 3.29Å; D287-D290 WeakPolarHBondContact O-CB 3.35Å; D287-D290 PolarHBondContact O-N 3.48Å
288P97.2Very high96Very high18 Ų1833.8 Ų33.812%0.11716%0.163CC..THydrogen-bonded Turntrans-59.2-23.5179.9-2232.6000114.2K188 Y258 W274K188-P288 HydrophobicContact CD-CB 4.08Å; K188-P288 HydrophobicContact CG-CB 3.8Å; Y258-P288 WeakPolarHBondContact OH-CD 3.44Å; W274-P288 HydrophobicContact CB-CB 4.47Å; W274-P288 HydrophobicContact CB-CG 4.06Å; W274-P288 HydrophobicContact CD2-CB 3.85Å; W274-P288 HydrophobicContact CD2-CG 3.64Å; W274-P288 HydrophobicContact CE3-CB 4.38Å; W274-P288 HydrophobicContact CE3-CG 3.74Å; W274-P288 HydrophobicContact CG-CB 3.87Å; W274-P288 HydrophobicContact CG-CG 3.79Å; W274-P288 HydrophobicContact CZ3-CG 4.41Å
289L97.4Very high96.1Very high33 Ų3333 Ų3317%0.17316%0.159CC..THydrogen-bonded Turntrans-98.310.1178.5-61.8178.1000113.4K188 I189 F209 D287 A291K188-L289 HydrophobicContact CG-CD2 4.05Å; K188-L289 WeakPolarHBondContact O-CD2 3.5Å; I189-L289 HydrophobicContact CG1-CD2 4.3Å; F209-L289 HydrophobicContact CD1-CD2 3.8Å; F209-L289 HydrophobicContact CD2-CD2 4.16Å; F209-L289 HydrophobicContact CE1-CD2 3.68Å; F209-L289 HydrophobicContact CE2-CB 4.22Å; F209-L289 HydrophobicContact CE2-CD2 4.07Å; F209-L289 VanDerWaalsContact CE2-O 3.26Å; F209-L289 WeakPolarHBondContact CE2-O 3.41Å; F209-L289 HydrophobicContact CG-CD2 4.03Å; F209-L289 HydrophobicContact CZ-CB 4.44Å; F209-L289 HydrophobicContact CZ-CD2 3.81Å; D287-L289 PolarHBondContact O-N 3.02Å; D287-L289 VanDerWaalsContact O-N 3.12Å; D287-L289 WeakPolarHBondContact OD1-CB 3.23Å; D287-L289 PolarHBondContact OD1-N 3.41Å; L289-A291 PolarHBondContact O-N 2.79Å
290D97.2Very high96.2Very high38 Ų3830.8 Ų30.820%0.20315%0.147CC..  trans-58.7136.7172.4-82.9-21.8000110.5N207 F285 K286 D287 F292N207-D290 PolarHBondContact ND2-O 3.29Å; F285-D290 HydrophobicContact CB-CB 4.2Å; F285-D290 HydrophobicContact CD1-CB 3.9Å; K286-D290 WeakPolarHBondContact CA-OD2 3.06Å; K286-D290 VanDerWaalsContact CB-OD2 3.31Å; K286-D290 WeakPolarHBondContact CB-OD2 3.41Å; K286-D290 PolarHBondContact N-OD2 3.07Å; D287-D290 PolarHBondContact N-OD2 3.4Å; D287-D290 VanDerWaalsContact O-CB 3.29Å; D287-D290 WeakPolarHBondContact O-CB 3.35Å; D287-D290 PolarHBondContact O-N 3.48Å; D290-F292 VanDerWaalsContact C-N 3.3Å; D290-F292 PolarHBondContact O-N 2.85Å
291A96.1Very high96.3Very high9 Ų930.5 Ų30.57%0.07415%0.146CC..SBendtrans-65.5-31.4178.400000113.1R141 R206 N207 L289R141-A291 HydrophobicContact CG-CB 3.69Å; R206-A291 WeakPolarHBondContact CA-O 3.41Å; R206-A291 WeakPolarHBondContact CD-O 3.38Å; N207-A291 PolarHBondContact N-O 3.35Å; L289-A291 PolarHBondContact O-N 2.79Å
292F95.6Very high96.4Very high50 Ų5033.8 Ų33.822%0.21916%0.162CC..BIsolated β-bridgetrans-134.9146.9-177.1-67.8-82.1000110.5R206 F285 D290R206-F292 HydrophobicContact CB-CD1 4.31Å; R206-F292 HydrophobicContact CB-CE1 3.82Å; R206-F292 HydrophobicContact CB-CZ 4.39Å; R206-F292 HydrophobicContact CG-CE1 4.19Å; R206-F292 HydrophobicContact CG-CZ 4.28Å; R206-F292 VanDerWaalsContact NH1-CZ 3.3Å; F285-F292 WeakPolarHBondContact CD1-O 3.45Å; D290-F292 VanDerWaalsContact C-N 3.3Å; D290-F292 PolarHBondContact O-N 2.85Å
293A94.1Very high96.3Very high17 Ų1739.5 Ų39.514%0.1419%0.188CC..  trans-66.2147.3173.900000110.8M283 F285 G295 E296M283-A293 HydrophobicContact CB-CB 4.18Å; F285-A293 VanDerWaalsContact CD1-CA 3.5Å; F285-A293 HydrophobicContact CD1-CB 4.17Å; F285-A293 HydrophobicContact CE1-CB 3.7Å; F285-A293 VanDerWaalsContact CE1-N 3.27Å; F285-A293 HydrophobicContact CZ-CB 3.89Å; A293-G295 WeakPolarHBondContact CB-O 3.36Å; A293-E296 HydrophobicContact CB-CG 3.71Å
294R93.9Very high96.3Very high150 Ų15041 Ų4157%0.56620%0.198SC*.SBendtrans-73.1-19.8167.8-63.3-64.7-179.7168.1-4.1111.8Y284Y284-R294 HydrophobicContact CD2-CB 3.82Å; Y284-R294 HydrophobicContact CE2-CB 3.76Å; Y284-R294 WeakPolarHBondContact O-CB 3.45Å; Y284-R294 PolarHBondContact O-N 3.21Å
295G93.8Very high96.2Very high17 Ų1741.5 Ų41.518%0.17521%0.213CC..EExtended strand (participates in β ladder)trans-179165.7168.800000110.3Y284 A293Y284-G295 WeakPolarHBondContact CD1-O 3.45Å; Y284-G295 VanDerWaalsContact CE2-N 3.34Å; Y284-G295 PolarHBondContact N-O 2.92Å; Y284-G295 VanDerWaalsContact N-O 3.09Å; Y284-G295 WeakPolarHBondContact OH-CA 3.17Å; A293-G295 WeakPolarHBondContact CB-O 3.36Å
296E94.9Very high96.3Very high27 Ų2741.7 Ų41.713%0.12621%0.214CC..EExtended strand (participates in β ladder)trans-137.8142.6-172.3-54.9-175.2-125.500107.8S204 T205 R281 L282 M283 A293 F370S204-E296 VanDerWaalsContact CA-OE1 3.28Å; S204-E296 WeakPolarHBondContact CA-OE1 3.42Å; S204-E296 PolarHBondContact OG-OE1 2.85Å; S204-E296 VanDerWaalsContact OG-OE1 3.07Å; T205-E296 PolarHBondContact N-OE1 2.98Å; T205-E296 PolarHBondContact OG1-OE2 2.9Å; R281-E296 WeakPolarHBondContact CD-OE2 3.31Å; R281-E296 IonicContact CZ-OE2 3.88Å; R281-E296 IonicContact NE-OE2 3.22Å; R281-E296 IonicContact NH1-OE1 3Å; R281-E296 IonicContact NH1-OE2 2.81Å; R281-E296 PolarHBondContact NH1-OE2 2.83Å; L282-E296 CarbonylContact O-C 3.52Å; L282-E296 WeakPolarHBondContact O-CA 3.17Å; M283-E296 HydrophobicContact CG-CG 4.06Å; A293-E296 HydrophobicContact CB-CG 3.71Å; E296-F370 HydrophobicContact CB-CE1 3.69Å; E296-F370 HydrophobicContact CB-CZ 4.3Å
297V94.8Very high96.3Very high7 Ų738.2 Ų38.24%0.04220%0.204CC..EExtended strand (participates in β ladder)trans-131.3132.5-176.7-168.80000108L282 Y284 I299 F334L282-V297 HydrophobicContact CB-CB 4.23Å; L282-V297 PolarHBondContact N-O 3Å; L282-V297 PolarHBondContact O-N 2.83Å; Y284-V297 HydrophobicContact CE1-CG2 4.2Å; V297-I299 HydrophobicContact CG1-CD1 4.02Å; V297-F334 HydrophobicContact CB-CE1 4.16Å; V297-F334 HydrophobicContact CB-CZ 4.08Å; V297-F334 HydrophobicContact CG1-CD2 4.42Å; V297-F334 HydrophobicContact CG1-CE1 3.84Å; V297-F334 HydrophobicContact CG1-CE2 3.69Å; V297-F334 HydrophobicContact CG1-CZ 3.34Å; V297-F334 HydrophobicContact CG2-CD1 4.03Å; V297-F334 HydrophobicContact CG2-CE1 3.19Å; V297-F334 HydrophobicContact CG2-CZ 3.55Å
298F96Very high96.4Very high8 Ų835.6 Ų35.64%0.03519%0.19CC..EExtended strand (participates in β ladder)trans-85.6131.2168.9-174.4-97.5000109.5R280 G300 Y306 M359 E363 V366 E367 F370R280-F298 HydrophobicContact CB-CD2 4.1Å; R280-F298 HydrophobicContact CB-CE2 3.73Å; R280-F298 HydrophobicContact CB-CZ 4.2Å; R280-F298 HydrophobicContact CG-CE2 4.46Å; R280-F298 CarbonylContact O-C 3.56Å; R280-F298 WeakPolarHBondContact O-CA 3.5Å; F298-G300 VanDerWaalsContact CE1-CA 3.4Å; F298-Y306 WeakPolarHBondContact O-CE1 3.4Å; F298-M359 HydrophobicContact CE1-SD 3.69Å; F298-M359 HydrophobicContact CZ-SD 3.86Å; F298-E363 HydrophobicContact CZ-CB 4.43Å; F298-V366 HydrophobicContact CD2-CG1 4.04Å; F298-V366 HydrophobicContact CE2-CB 4.3Å; F298-V366 HydrophobicContact CE2-CG1 3.93Å; F298-E367 HydrophobicContact CD1-CB 3.85Å; F298-E367 HydrophobicContact CD1-CG 3.63Å; F298-E367 HydrophobicContact CE1-CB 3.54Å; F298-E367 HydrophobicContact CE1-CG 3.63Å; F298-E367 HydrophobicContact CE2-CB 4.47Å; F298-E367 HydrophobicContact CG-CB 4.42Å; F298-E367 HydrophobicContact CG-CG 4.44Å; F298-E367 HydrophobicContact CZ-CB 3.88Å; F298-E367 HydrophobicContact CZ-CG 4.47Å; F298-F370 HydrophobicContact CB-CB 3.99Å; F298-F370 HydrophobicContact CB-CD1 4.09Å; F298-F370 HydrophobicContact CB-CD2 3.8Å; F298-F370 HydrophobicContact CB-CE2 4.27Å; F298-F370 HydrophobicContact CB-CG 3.7Å; F298-F370 HydrophobicContact CD2-CD2 4.25Å; F298-F370 HydrophobicContact CD2-CE2 4.34Å; F298-F370 HydrophobicContact CG-CD2 4.37Å
299I97.3Very high96.5Very high0 Ų039.1 Ų39.10%021%0.207CC..  trans-106.292.3175.3-49.5-58.4000107.4M277 R280 L282 V297 I327 F351 A354 V355M277-I299 HydrophobicContact CE-CB 3.96Å; M277-I299 HydrophobicContact CE-CG1 3.81Å; M277-I299 HydrophobicContact CE-CG2 4.3Å; M277-I299 HydrophobicContact SD-CG1 4.21Å; R280-I299 WeakPolarHBondContact CB-O 3.48Å; R280-I299 WeakPolarHBondContact CD-O 3.09Å; R280-I299 WeakPolarHBondContact CG-O 3.15Å; R280-I299 PolarHBondContact NH1-O 3.5Å; R280-I299 PolarHBondContact O-N 2.89Å; L282-I299 HydrophobicContact CB-CD1 4.33Å; L282-I299 HydrophobicContact CB-CG1 4.15Å; L282-I299 HydrophobicContact CD2-CD1 4.46Å; V297-I299 HydrophobicContact CG1-CD1 4.02Å; I299-I327 HydrophobicContact CD1-CD1 4.01Å; I299-I327 HydrophobicContact CD1-CG2 4.21Å; I299-F351 HydrophobicContact CG1-CD1 4.37Å; I299-A354 HydrophobicContact CB-CB 4.47Å; I299-A354 HydrophobicContact CG2-CB 3.96Å; I299-V355 HydrophobicContact CG2-CG2 3.89Å
300G97.2Very high96.4Very high0 Ų043.3 Ų43.30%023%0.226CC..  trans-76.6-164.1179.900000112.9R280 F298 Y306 V355R280-G300 PolarHBondContact NH1-O 3.34Å; F298-G300 VanDerWaalsContact CE1-CA 3.4Å; G300-Y306 VanDerWaalsContact CA-CD2 3.46Å; G300-Y306 VanDerWaalsContact N-CD1 3.29Å; G300-V355 WeakPolarHBondContact O-CA 3.5Å
301S97.9Very high96.4Very high1 Ų142.7 Ų42.71%0.00723%0.229CC..  trans-93.5160.8179.969.70000112.3E303 S304 G305 Y306 V355S301-E303 WeakPolarHBondContact CB-OE2 3.44Å; S301-E303 PolarHBondContact O-N 3.03Å; S301-E303 PolarHBondContact OG-OE2 2.86Å; S301-S304 CarbonylContact O-C 3.57Å; S301-S304 WeakPolarHBondContact O-CA 3.24Å; S301-S304 PolarHBondContact O-N 3.42Å; S301-S304 PolarHBondContact OG-N 3.44Å; S301-S304 PolarHBondContact OG-OG 2.76Å; S301-G305 PolarHBondContact O-N 3.32Å; S301-Y306 WeakPolarHBondContact O-CB 3.47Å; S301-Y306 WeakPolarHBondContact O-CD2 3.37Å; S301-Y306 PolarHBondContact O-N 2.86Å; S301-V355 WeakPolarHBondContact CA-O 3.43Å
302K97.4Very high96.3Very high102 Ų10244.4 Ų44.444%0.44323%0.234SC..G310 helixtrans-60.3-32.9174.161.6-171.5169.2-161.90112.7S304 G305 Y306 V355 D356K302-S304 PolarHBondContact O-N 2.89Å; K302-G305 PolarHBondContact O-N 3.44Å; K302-Y306 WeakPolarHBondContact CA-O 3.3Å; K302-V355 HydrophobicContact CB-CG1 3.78Å; K302-V355 PolarHBondContact N-O 3.07Å; K302-D356 IonicContact NZ-OD1 3.54Å; K302-D356 PolarHBondContact NZ-OD1 3.14Å
303E96.9Very high96.3Very high119 Ų11943.6 Ų43.656%0.55623%0.234SC*.G310 helixtrans-64.1-22.8175.4-62.173.6-156.800111.9S301S301-E303 WeakPolarHBondContact CB-OE2 3.44Å; S301-E303 PolarHBondContact O-N 3.03Å; S301-E303 PolarHBondContact OG-OE2 2.86Å
304S96Very high96.1Very high31 Ų3149.6 Ų49.622%0.21727%0.272CS..G310 helixtrans-98.914.4176-50.20000113.2S301 K302 P330 M359S301-S304 CarbonylContact O-C 3.57Å; S301-S304 WeakPolarHBondContact O-CA 3.24Å; S301-S304 PolarHBondContact O-N 3.42Å; S301-S304 PolarHBondContact OG-N 3.44Å; S301-S304 PolarHBondContact OG-OG 2.76Å; K302-S304 PolarHBondContact O-N 2.89Å; S304-P330 VanDerWaalsContact O-CG 3.22Å; S304-P330 WeakPolarHBondContact O-CG 3.49Å; S304-M359 WeakPolarHBondContact OG-CE 3.41Å
305G96.6Very high95.9Very high40 Ų4047 Ų4741%0.41228%0.276SS..THydrogen-bonded Turntrans83.518.2175.400000115.2S301 K302S301-G305 PolarHBondContact O-N 3.32Å; K302-G305 PolarHBondContact O-N 3.44Å
306Y98.2Very high95.9Very high6 Ų647 Ų472%0.02427%0.273CS..  trans-90.4133.5173.9-69-100.3000111.2F298 G300 S301 K302 V328 T329 P330 V355 E367F298-Y306 WeakPolarHBondContact O-CE1 3.4Å; G300-Y306 VanDerWaalsContact CA-CD2 3.46Å; G300-Y306 VanDerWaalsContact N-CD1 3.29Å; S301-Y306 WeakPolarHBondContact O-CB 3.47Å; S301-Y306 WeakPolarHBondContact O-CD2 3.37Å; S301-Y306 PolarHBondContact O-N 2.86Å; K302-Y306 WeakPolarHBondContact CA-O 3.3Å; Y306-V328 VanDerWaalsContact CA-O 3.32Å; Y306-V328 WeakPolarHBondContact CA-O 3.37Å; Y306-T329 HydrophobicContact CD1-CG2 3.75Å; Y306-T329 HydrophobicContact CE1-CG2 3.49Å; Y306-T329 VanDerWaalsContact CE1-CG2 3.49Å; Y306-P330 HydrophobicContact CE2-CG 4Å; Y306-V355 VanDerWaalsContact O-CG1 3.29Å; Y306-V355 WeakPolarHBondContact O-CG1 3.25Å; Y306-E367 VanDerWaalsContact CE2-OE1 3.22Å; Y306-E367 WeakPolarHBondContact CE2-OE1 3.28Å; Y306-E367 PolarHBondContact OH-OE1 3.49Å
307T98.2Very high95.7Very high60 Ų6053.3 Ų53.337%0.36830%0.302SS..EExtended strand (participates in β ladder)trans-141.7156174.265.50000111.8I327 V328T307-I327 WeakPolarHBondContact O-CA 3.44Å; T307-V328 PolarHBondContact N-O 3.03Å; T307-V328 PolarHBondContact O-N 2.91Å; T307-V328 WeakPolarHBondContact OG1-CB 3.3Å; T307-V328 WeakPolarHBondContact OG1-CG2 3.4Å
308V98.3Very high95.6Very high14 Ų1455.3 Ų55.39%0.08532%0.324CS..EExtended strand (participates in β ladder)trans-122.9130.9177-170.70000107.9I325 V348 F351 V355V308-I325 HydrophobicContact CG1-CG2 4.08Å; V308-V348 HydrophobicContact CG1-CG1 4.05Å; V308-V348 HydrophobicContact CG1-CG2 4.29Å; V308-F351 HydrophobicContact CB-CB 4.41Å; V308-F351 HydrophobicContact CG1-CB 4.03Å; V308-F351 HydrophobicContact CG1-CD2 4.41Å; V308-F351 HydrophobicContact CG2-CB 3.49Å; V308-F351 VanDerWaalsContact CG2-CB 3.49Å; V308-V355 HydrophobicContact CG2-CG2 3.88Å
309L97.8Very high95.5Very high92 Ų9257.7 Ų57.748%0.48234%0.336SS..EExtended strand (participates in β ladder)trans-128.3143.5179.4-58.1171.8000110.1T326L309-T326 PolarHBondContact N-O 3.29Å; L309-T326 PolarHBondContact O-N 3.17Å
310H97.2Very high95.5Very high121 Ų12165 Ų6556%0.5637%0.369SS*.EExtended strand (participates in β ladder)trans-73.7140.9167.6-75.3-95.8000110.5
311G95.4Very high95.5Very high26 Ų2666.4 Ų66.427%0.26838%0.375SS..SBendtrans82.6-172.1176.100000114.3G324 T326G311-G324 WeakPolarHBondContact CA-O 3.42Å; G311-G324 PolarHBondContact N-O 3.18Å; G311-T326 PolarHBondContact O-N 2.85Å; G311-T326 PolarHBondContact O-OG1 2.93Å
312F95.8Very high95.5Very high44 Ų4470.4 Ų70.419%0.19340%0.401CS..  trans-116.7156.7-179-66.8-49.5000111.5F270 T316 H319 G324 L335 F336 A337F270-F312 HydrophobicContact CE1-CE1 4.41Å; F270-F312 HydrophobicContact CE1-CZ 4.18Å; F270-F312 HydrophobicContact CZ-CE1 4.49Å; F270-F312 HydrophobicContact CZ-CZ 4.42Å; F312-T316 HydrophobicContact CB-CG2 4.24Å; F312-T316 HydrophobicContact CD1-CG2 4.41Å; F312-T316 HydrophobicContact CD2-CG2 4.48Å; F312-T316 HydrophobicContact CG-CG2 4.15Å; F312-H319 AromaticContact CD2-CD2 3.99Å; F312-H319 AromaticContact CD2-NE2 3.78Å; F312-H319 AromaticContact CE2-CD2 3.85Å; F312-H319 AromaticContact CE2-CG 3.86Å; F312-H319 AromaticContact CE2-ND1 3.95Å; F312-H319 AromaticContact CE2-NE2 3.96Å; F312-G324 VanDerWaalsContact CE1-CA 3.48Å; F312-G324 VanDerWaalsContact CE2-CA 3.42Å; F312-L335 HydrophobicContact CD1-CB 4.05Å; F312-L335 HydrophobicContact CD1-CD2 4.39Å; F312-L335 HydrophobicContact CE1-CB 3.91Å; F312-F336 WeakPolarHBondContact CE1-O 3.48Å; F312-F336 WeakPolarHBondContact CZ-O 3.4Å; F312-A337 HydrophobicContact CE2-CB 4.25Å; F312-A337 HydrophobicContact CZ-CB 3.71Å
313P93.8Very high95.5Very high34 Ų3468 Ų6822%0.22139%0.391CS..  trans-53.9143161.3-23.233000111S315 T316 L335P313-S315 PolarHBondContact O-N 3.37Å; P313-T316 WeakPolarHBondContact CD-OG1 3.41Å; P313-T316 WeakPolarHBondContact O-CB 3.43Å; P313-T316 PolarHBondContact O-N 2.88Å; P313-T316 PolarHBondContact O-OG1 3.46Å; P313-L335 HydrophobicContact CG-CD2 4.12Å
314P90.6Very high95.6Very high142 Ų14262.4 Ų62.492%0.92237%0.365SS*.THydrogen-bonded Turntrans-56.5-24.8-177.8-27.134.2000115.2T316P314-T316 VanDerWaalsContact C-N 3.28Å; P314-T316 PolarHBondContact O-N 2.84Å
315S89Confident95.7Very high95 Ų9560.9 Ų60.966%0.66436%0.355SS*.THydrogen-bonded Turntrans-80.5-1.5-179.958.30000114.5P313P313-S315 PolarHBondContact O-N 3.37Å
316T93.8Very high95.8Very high17 Ų1759.4 Ų59.410%0.10434%0.338CS..  trans-76.2131.8-172.5-490000110.6F270 F312 P313 P314 L335F270-T316 HydrophobicContact CE2-CG2 3.88Å; F270-T316 HydrophobicContact CZ-CG2 3.74Å; F312-T316 HydrophobicContact CB-CG2 4.24Å; F312-T316 HydrophobicContact CD1-CG2 4.41Å; F312-T316 HydrophobicContact CD2-CG2 4.48Å; F312-T316 HydrophobicContact CG-CG2 4.15Å; P313-T316 WeakPolarHBondContact CD-OG1 3.41Å; P313-T316 WeakPolarHBondContact O-CB 3.43Å; P313-T316 PolarHBondContact O-N 2.88Å; P313-T316 PolarHBondContact O-OG1 3.46Å; P314-T316 VanDerWaalsContact C-N 3.28Å; P314-T316 PolarHBondContact O-N 2.84Å; T316-L335 HydrophobicContact CG2-CD1 3.75Å
317Q92.2Very high95.8Very high160 Ų16059.2 Ų59.275%0.74834%0.337SS*.  trans-136.2164.1-179.5-63.7-174.1-0.600111.1F270F270-Q317 WeakPolarHBondContact CE2-O 3.45Å
318G91.9Very high95.8Very high49 Ų4958 Ų5851%0.50533%0.329SS..SBendtrans81.210.9170.500000116.1F270F270-G318 WeakPolarHBondContact CB-O 3.46Å
319H94.4Very high95.7Very high59 Ų5957.8 Ų57.827%0.27333%0.328SS..  trans-88.9147.7167.258.786000110.4F270 F312 W321 A337F270-H319 HydrophobicContact CB-CB 4.36Å; F270-H319 HydrophobicContact CD1-CB 3.79Å; F270-H319 HydrophobicContact CD2-CB 3.76Å; F270-H319 HydrophobicContact CE1-CB 3.94Å; F270-H319 HydrophobicContact CE2-CB 3.91Å; F270-H319 HydrophobicContact CG-CB 3.7Å; F270-H319 HydrophobicContact CZ-CB 3.99Å; F312-H319 AromaticContact CD2-CD2 3.99Å; F312-H319 AromaticContact CD2-NE2 3.78Å; F312-H319 AromaticContact CE2-CD2 3.85Å; F312-H319 AromaticContact CE2-CG 3.86Å; F312-H319 AromaticContact CE2-ND1 3.95Å; F312-H319 AromaticContact CE2-NE2 3.96Å; H319-W321 PolarHBondContact ND1-O 3.08Å; H319-W321 VanDerWaalsContact ND1-O 3.16Å; H319-A337 HydrophobicContact CB-CB 4.44Å
320H96.5Very high95.5Very high152 Ų15256.5 Ų56.570%0.70433%0.326SS*.SBendtrans-102.9-32.8175.4-5691.9000111.2E260E260-H320 IonicContact OE1-CG 3.8Å; E260-H320 IonicContact OE1-ND1 2.7Å; E260-H320 PolarHBondContact OE1-ND1 3.34Å; E260-H320 PolarHBondContact OE2-N 3Å
321W98.2Very high95.2Very high30 Ų3056 Ų5611%0.11433%0.327CS..SBendtrans-81.2134.2176.7-73.6-9.5000110.8E260 K272 H319 A337 C338 E339E260-W321 HydrophobicContact CG-CB 4.39Å; E260-W321 HydrophobicContact CG-CD2 3.89Å; E260-W321 HydrophobicContact CG-CE3 3.75Å; E260-W321 HydrophobicContact CG-CG 4.19Å; E260-W321 HydrophobicContact CG-CZ3 4.43Å; E260-W321 PolarHBondContact OE2-N 3.06Å; K272-W321 HydrophobicContact CD-CH2 4Å; K272-W321 HydrophobicContact CD-CZ2 4.16Å; K272-W321 HydrophobicContact CG-CH2 4.3Å; H319-W321 PolarHBondContact ND1-O 3.08Å; H319-W321 VanDerWaalsContact ND1-O 3.16Å; W321-A337 HydrophobicContact CB-CB 3.73Å; W321-A337 WeakPolarHBondContact O-CB 3.47Å; W321-C338 WeakPolarHBondContact CB-O 3.4Å; W321-E339 HydrophobicContact CD2-CB 3.76Å; W321-E339 HydrophobicContact CD2-CG 4.42Å; W321-E339 HydrophobicContact CE3-CB 4.09Å; W321-E339 HydrophobicContact CG-CB 4.17Å; W321-E339 HydrophobicContact CH2-CB 4.15Å; W321-E339 HydrophobicContact CZ2-CB 3.84Å; W321-E339 HydrophobicContact CZ2-CG 4.15Å; W321-E339 WeakPolarHBondContact CZ2-OE2 3.35Å; W321-E339 HydrophobicContact CZ3-CB 4.27Å
322P97.3Very high95.1Very high85 Ų8558.7 Ų58.755%0.55233%0.329SS*.  trans-88.5-17.9-165.432.2-34.1000114G324P322-G324 PolarHBondContact O-N 2.87Å
323H98.4Very high95.1Very high51 Ų5161.7 Ų61.724%0.23634%0.342CS..EExtended strand (participates in β ladder)trans-95.391.7-170.9-55.6-75.7000111.5C338 E339 E341 Q344H323-C338 HydrophobicContact CB-CB 4.18Å; H323-C338 WeakPolarHBondContact CB-O 3.4Å; H323-C338 PolarHBondContact N-O 3.09Å; H323-C338 PolarHBondContact O-N 3.06Å; H323-E339 PolarHBondContact CD2-O 3.12Å; H323-E341 PolarHBondContact CD2-N 2.96Å; H323-E341 VanDerWaalsContact CD2-N 3.34Å; H323-E341 PolarHBondContact NE2-N 3.03Å; H323-Q344 HydrophobicContact CB-CB 3.88Å; H323-Q344 HydrophobicContact CB-CG 4.09Å
324G98.1Very high95.3Very high2 Ų260.9 Ų60.92%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-78.7149.6-174.300000115.8G311 F312 P322 F336 Q344G311-G324 WeakPolarHBondContact CA-O 3.42Å; G311-G324 PolarHBondContact N-O 3.18Å; F312-G324 VanDerWaalsContact CE1-CA 3.48Å; F312-G324 VanDerWaalsContact CE2-CA 3.42Å; P322-G324 PolarHBondContact O-N 2.87Å; G324-F336 CarbonylContact C-O 3.44Å; G324-F336 WeakPolarHBondContact CA-O 3.4Å; G324-Q344 PolarHBondContact O-NE2 2.91Å
325I98.6Very high95.7Very high0 Ų054.2 Ų54.20%029%0.292CS..EExtended strand (participates in β ladder)trans-132.2131.5170.4-55.8175.1000107.2M259 V308 I327 F336 Q344 W347 V348 F351M259-I325 HydrophobicContact SD-CD1 4.36Å; V308-I325 HydrophobicContact CG1-CG2 4.08Å; I325-I327 HydrophobicContact CG2-CG1 4.34Å; I325-F336 HydrophobicContact CB-CB 4.41Å; I325-F336 PolarHBondContact N-O 3.43Å; I325-F336 PolarHBondContact O-N 2.85Å; I325-Q344 HydrophobicContact CD1-CG 4.1Å; I325-Q344 HydrophobicContact CG1-CG 3.76Å; I325-W347 HydrophobicContact CD1-CB 3.54Å; I325-W347 HydrophobicContact CD1-CG 4.41Å; I325-V348 HydrophobicContact CD1-CG2 3.93Å; I325-V348 HydrophobicContact CG1-CG2 3.92Å; I325-V348 HydrophobicContact CG2-CG2 4.11Å; I325-F351 HydrophobicContact CD1-CE2 4.47Å; I325-F351 HydrophobicContact CG2-CD2 4.32Å; I325-F351 HydrophobicContact CG2-CE2 4.41Å
326T98.4Very high96.1Very high8 Ų849.7 Ų49.75%0.04926%0.26CS..EExtended strand (participates in β ladder)trans-112.5118.7173.2-610000109.4L309 G311 V328 F334 L335L309-T326 PolarHBondContact N-O 3.29Å; L309-T326 PolarHBondContact O-N 3.17Å; G311-T326 PolarHBondContact O-N 2.85Å; G311-T326 PolarHBondContact O-OG1 2.93Å; T326-V328 HydrophobicContact CG2-CG2 4.33Å; T326-F334 WeakPolarHBondContact CA-O 3.47Å; T326-L335 HydrophobicContact CG2-CD2 3.8Å; T326-L335 WeakPolarHBondContact OG1-CD2 3.18Å
327I98.1Very high96.3Very high2 Ų248.9 Ų48.91%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-102.6123.4169.7-57.3-174.2000108.4I299 T307 I325 T329 K333 F334 F336 F351I299-I327 HydrophobicContact CD1-CD1 4.01Å; I299-I327 HydrophobicContact CD1-CG2 4.21Å; T307-I327 WeakPolarHBondContact O-CA 3.44Å; I325-I327 HydrophobicContact CG2-CG1 4.34Å; I327-T329 HydrophobicContact CG2-CG2 4.17Å; I327-K333 CarbonylContact O-C 3.56Å; I327-K333 WeakPolarHBondContact O-CA 3.43Å; I327-F334 HydrophobicContact CB-CB 4.31Å; I327-F334 PolarHBondContact N-O 3.12Å; I327-F334 PolarHBondContact O-N 3.25Å; I327-F336 HydrophobicContact CD1-CD2 4.21Å; I327-F336 HydrophobicContact CD1-CE2 3.62Å; I327-F336 HydrophobicContact CG1-CD2 4.49Å; I327-F336 HydrophobicContact CG1-CE2 4.17Å; I327-F351 HydrophobicContact CD1-CD1 3.73Å; I327-F351 HydrophobicContact CD1-CD2 3.73Å; I327-F351 HydrophobicContact CD1-CE1 3.74Å; I327-F351 HydrophobicContact CD1-CE2 3.73Å; I327-F351 HydrophobicContact CD1-CG 3.75Å; I327-F351 HydrophobicContact CD1-CZ 3.74Å; I327-F351 HydrophobicContact CG1-CD2 4.37Å
328V97.7Very high96.6Very high34 Ų3441.3 Ų41.321%0.20622%0.22CC..EExtended strand (participates in β ladder)trans-97.5129.4171.6-171.10000108.2Y306 T307 T326 K333Y306-V328 VanDerWaalsContact CA-O 3.32Å; Y306-V328 WeakPolarHBondContact CA-O 3.37Å; T307-V328 PolarHBondContact N-O 3.03Å; T307-V328 PolarHBondContact O-N 2.91Å; T307-V328 WeakPolarHBondContact OG1-CB 3.3Å; T307-V328 WeakPolarHBondContact OG1-CG2 3.4Å; T326-V328 HydrophobicContact CG2-CG2 4.33Å; V328-K333 HydrophobicContact CG1-CG 4.34Å; V328-K333 HydrophobicContact CG2-CG 4.27Å
329T95.8Very high96.9Very high10 Ų1044.1 Ų44.16%0.06122%0.22CC..  trans-120.1164.5169.371.90000108Y306 I327 D331 R332 F334Y306-T329 HydrophobicContact CD1-CG2 3.75Å; Y306-T329 HydrophobicContact CE1-CG2 3.49Å; Y306-T329 VanDerWaalsContact CE1-CG2 3.49Å; I327-T329 HydrophobicContact CG2-CG2 4.17Å; T329-D331 PolarHBondContact O-N 2.94Å; T329-R332 PolarHBondContact N-O 3.04Å; T329-R332 PolarHBondContact O-N 3.39Å; T329-R332 PolarHBondContact OG1-N 2.69Å; T329-R332 VanDerWaalsContact OG1-N 3.13Å; T329-R332 PolarHBondContact OG1-O 3.22Å; T329-F334 HydrophobicContact CG2-CD2 3.98Å; T329-F334 HydrophobicContact CG2-CE2 3.69Å
330P94.6Very high97.1Very high66 Ų6644.1 Ų44.143%0.42922%0.224SC..SBendtrans-53.8-35.7176.4-30.137.9000113.9S304 Y306S304-P330 VanDerWaalsContact O-CG 3.22Å; S304-P330 WeakPolarHBondContact O-CG 3.49Å; Y306-P330 HydrophobicContact CE2-CG 4Å
331D90.8Very high97.2Very high109 Ų10941.7 Ų41.758%0.58321%0.213SC*.SBendtrans-91.9-33.5-172.7-53.7-40.8000112.8T329T329-D331 PolarHBondContact O-N 2.94Å
332R93.2Very high97.2Very high84 Ų8443.4 Ų43.432%0.31723%0.229SC..  trans-161.1164.8-178.476.1-174.2-151.8-170.24.5114.8T329 F334T329-R332 PolarHBondContact N-O 3.04Å; T329-R332 PolarHBondContact O-N 3.39Å; T329-R332 PolarHBondContact OG1-N 2.69Å; T329-R332 VanDerWaalsContact OG1-N 3.13Å; T329-R332 PolarHBondContact OG1-O 3.22Å; R332-F334 HydrophobicContact CG-CD2 3.85Å; R332-F334 HydrophobicContact CG-CE2 3.34Å; R332-F334 HydrophobicContact CG-CZ 3.85Å; R332-F334 VanDerWaalsContact CZ-CZ 3.45Å
333K95.8Very high97.2Very high106 Ų10641.8 Ų41.846%0.46122%0.216SC..EExtended strand (participates in β ladder)trans-94.2141.2167.1-58.4-179-173.51750111I327 V328I327-K333 CarbonylContact O-C 3.56Å; I327-K333 WeakPolarHBondContact O-CA 3.43Å; V328-K333 HydrophobicContact CG1-CG 4.34Å; V328-K333 HydrophobicContact CG2-CG 4.27Å
334F97.6Very high97.2Very high17 Ų1740.4 Ų40.48%0.07521%0.21CC..EExtended strand (participates in β ladder)trans-115.8131174.1-65.6-108.8000109.1V297 T326 I327 T329 R332 F336V297-F334 HydrophobicContact CB-CE1 4.16Å; V297-F334 HydrophobicContact CB-CZ 4.08Å; V297-F334 HydrophobicContact CG1-CD2 4.42Å; V297-F334 HydrophobicContact CG1-CE1 3.84Å; V297-F334 HydrophobicContact CG1-CE2 3.69Å; V297-F334 HydrophobicContact CG1-CZ 3.34Å; V297-F334 HydrophobicContact CG2-CD1 4.03Å; V297-F334 HydrophobicContact CG2-CE1 3.19Å; V297-F334 HydrophobicContact CG2-CZ 3.55Å; T326-F334 WeakPolarHBondContact CA-O 3.47Å; I327-F334 HydrophobicContact CB-CB 4.31Å; I327-F334 PolarHBondContact N-O 3.12Å; I327-F334 PolarHBondContact O-N 3.25Å; T329-F334 HydrophobicContact CG2-CD2 3.98Å; T329-F334 HydrophobicContact CG2-CE2 3.69Å; R332-F334 HydrophobicContact CG-CD2 3.85Å; R332-F334 HydrophobicContact CG-CE2 3.34Å; R332-F334 HydrophobicContact CG-CZ 3.85Å; R332-F334 VanDerWaalsContact CZ-CZ 3.45Å; F334-F336 HydrophobicContact CB-CE1 3.86Å; F334-F336 HydrophobicContact CB-CE2 4.25Å; F334-F336 HydrophobicContact CB-CZ 3.63Å; F334-F336 HydrophobicContact CD1-CE1 4.13Å; F334-F336 AromaticContact CD1-CZ 3.91Å; F334-F336 HydrophobicContact CD1-CZ 3.91Å; F334-F336 HydrophobicContact CG-CE1 4.49Å; F334-F336 HydrophobicContact CG-CZ 4.13Å
335L98.3Very high97.2Very high2 Ų247.3 Ų47.31%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-112.5121.4177-48.5-179.1000109K261 T262 Q266 F270 F312 P313 T316 T326K261-L335 WeakPolarHBondContact CA-O 3.42Å; T262-L335 HydrophobicContact CG2-CB 3.97Å; T262-L335 HydrophobicContact CG2-CD1 4.18Å; T262-L335 HydrophobicContact CG2-CG 4.3Å; Q266-L335 HydrophobicContact CB-CD1 4.06Å; Q266-L335 HydrophobicContact CG-CD1 3.95Å; Q266-L335 HydrophobicContact CG-CG 4.32Å; F270-L335 HydrophobicContact CE1-CB 4.46Å; F270-L335 HydrophobicContact CZ-CB 4.21Å; F312-L335 HydrophobicContact CD1-CB 4.05Å; F312-L335 HydrophobicContact CD1-CD2 4.39Å; F312-L335 HydrophobicContact CE1-CB 3.91Å; P313-L335 HydrophobicContact CG-CD2 4.12Å; T316-L335 HydrophobicContact CG2-CD1 3.75Å; T326-L335 HydrophobicContact CG2-CD2 3.8Å; T326-L335 WeakPolarHBondContact OG1-CD2 3.18Å
336F98.5Very high97.2Very high1 Ų152 Ų520%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-120.9141.9177.7-51.5-38.7000111M259 E260 K261 F275 L282 F312 G324 I325 I327 F334 F351M259-F336 HydrophobicContact CB-CB 4.48Å; M259-F336 HydrophobicContact CE-CD2 4.24Å; M259-F336 HydrophobicContact CE-CG 4.48Å; M259-F336 HydrophobicContact SD-CB 3.99Å; E260-F336 CarbonylContact O-C 3.57Å; E260-F336 WeakPolarHBondContact O-CA 3.25Å; K261-F336 HydrophobicContact CB-CD1 3.69Å; K261-F336 HydrophobicContact CB-CE1 4Å; F275-F336 HydrophobicContact CE1-CD1 4.21Å; F275-F336 AromaticContact CE1-CE1 3.84Å; F275-F336 HydrophobicContact CE1-CE1 3.84Å; F275-F336 HydrophobicContact CE1-CE2 4.34Å; F275-F336 AromaticContact CE1-CZ 3.91Å; F275-F336 HydrophobicContact CE1-CZ 3.91Å; F275-F336 AromaticContact CZ-CD1 3.88Å; F275-F336 HydrophobicContact CZ-CD1 3.88Å; F275-F336 AromaticContact CZ-CE1 3.86Å; F275-F336 HydrophobicContact CZ-CE1 3.86Å; F275-F336 HydrophobicContact CZ-CG 4.45Å; F275-F336 HydrophobicContact CZ-CZ 4.38Å; L282-F336 HydrophobicContact CD2-CE2 3.62Å; L282-F336 HydrophobicContact CD2-CZ 3.8Å; F312-F336 WeakPolarHBondContact CE1-O 3.48Å; F312-F336 WeakPolarHBondContact CZ-O 3.4Å; G324-F336 CarbonylContact C-O 3.44Å; G324-F336 WeakPolarHBondContact CA-O 3.4Å; I325-F336 HydrophobicContact CB-CB 4.41Å; I325-F336 PolarHBondContact N-O 3.43Å; I325-F336 PolarHBondContact O-N 2.85Å; I327-F336 HydrophobicContact CD1-CD2 4.21Å; I327-F336 HydrophobicContact CD1-CE2 3.62Å; I327-F336 HydrophobicContact CG1-CD2 4.49Å; I327-F336 HydrophobicContact CG1-CE2 4.17Å; F334-F336 HydrophobicContact CB-CE1 3.86Å; F334-F336 HydrophobicContact CB-CE2 4.25Å; F334-F336 HydrophobicContact CB-CZ 3.63Å; F334-F336 HydrophobicContact CD1-CE1 4.13Å; F334-F336 AromaticContact CD1-CZ 3.91Å; F334-F336 HydrophobicContact CD1-CZ 3.91Å; F334-F336 HydrophobicContact CG-CE1 4.49Å; F334-F336 HydrophobicContact CG-CZ 4.13Å; F336-F351 HydrophobicContact CD2-CE2 4.38Å; F336-F351 HydrophobicContact CD2-CZ 4.4Å; F336-F351 HydrophobicContact CE2-CZ 4.28Å
337A98.6Very high97.2Very high0 Ų051.7 Ų51.70%026%0.255CS..EExtended strand (participates in β ladder)trans-114.2137.1173.800000110.2M259 E260 F312 H319 W321M259-A337 CarbonylContact C-O 3.46Å; M259-A337 VanDerWaalsContact CA-O 3.24Å; M259-A337 WeakPolarHBondContact CA-O 3.48Å; M259-A337 VanDerWaalsContact CB-O 3.32Å; M259-A337 WeakPolarHBondContact CB-O 3.39Å; E260-A337 HydrophobicContact CB-CB 4Å; E260-A337 PolarHBondContact N-O 3.44Å; E260-A337 PolarHBondContact O-N 3.38Å; F312-A337 HydrophobicContact CE2-CB 4.25Å; F312-A337 HydrophobicContact CZ-CB 3.71Å; H319-A337 HydrophobicContact CB-CB 4.44Å; W321-A337 HydrophobicContact CB-CB 3.73Å; W321-A337 WeakPolarHBondContact O-CB 3.47Å
338C98.6Very high97.3Very high1 Ų152.2 Ų52.21%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-107.9146173.2-590000110.4M259 W321 H323 T340 D343 Q344M259-C338 VanDerWaalsContact SD-SG 3.62Å; W321-C338 WeakPolarHBondContact CB-O 3.4Å; H323-C338 HydrophobicContact CB-CB 4.18Å; H323-C338 WeakPolarHBondContact CB-O 3.4Å; H323-C338 PolarHBondContact N-O 3.09Å; H323-C338 PolarHBondContact O-N 3.06Å; C338-T340 VanDerWaalsContact C-N 3.34Å; C338-D343 HydrophobicContact CB-CB 4.23Å; C338-Q344 HydrophobicContact CB-CB 4Å
339E98.3Very high97.3Very high108 Ų10853.4 Ų53.451%0.50527%0.272SS..SBendtrans-67.6-35.2178.9-171.8160.1-141.900112.4W321 H323W321-E339 HydrophobicContact CD2-CB 3.76Å; W321-E339 HydrophobicContact CD2-CG 4.42Å; W321-E339 HydrophobicContact CE3-CB 4.09Å; W321-E339 HydrophobicContact CG-CB 4.17Å; W321-E339 HydrophobicContact CH2-CB 4.15Å; W321-E339 HydrophobicContact CZ2-CB 3.84Å; W321-E339 HydrophobicContact CZ2-CG 4.15Å; W321-E339 WeakPolarHBondContact CZ2-OE2 3.35Å; W321-E339 HydrophobicContact CZ3-CB 4.27Å; H323-E339 PolarHBondContact CD2-O 3.12Å
340T98.4Very high97.4Very high58 Ų5853.4 Ų53.436%0.35627%0.273SS..SBendtrans-127.3153.6-17873.90000111.8C338 S342 D343 Q344C338-T340 VanDerWaalsContact C-N 3.34Å; T340-S342 VanDerWaalsContact C-N 3.27Å; T340-S342 PolarHBondContact O-N 3.41Å; T340-D343 PolarHBondContact O-N 3.49Å; T340-D343 WeakPolarHBondContact OG1-CB 3.26Å; T340-D343 PolarHBondContact OG1-N 3.2Å; T340-D343 VanDerWaalsContact OG1-N 3.11Å; T340-D343 PolarHBondContact OG1-OD2 2.69Å; T340-Q344 PolarHBondContact O-N 3.19Å; T340-Q344 VanDerWaalsContact O-N 3.07Å
341E98.1Very high97.6Very high101 Ų10150.2 Ų50.247%0.47225%0.252SS..Hα-helixtrans-64.1-33.5174-161.4-161.1137.400111.9H323 Q344 R345H323-E341 PolarHBondContact CD2-N 2.96Å; H323-E341 VanDerWaalsContact CD2-N 3.34Å; H323-E341 PolarHBondContact NE2-N 3.03Å; E341-Q344 WeakPolarHBondContact O-CB 3.35Å; E341-Q344 PolarHBondContact O-N 3.45Å; E341-R345 WeakPolarHBondContact O-CB 3.47Å; E341-R345 PolarHBondContact O-N 2.76Å; E341-R345 IonicContact OE1-CZ 2.66Å; E341-R345 IonicContact OE1-NH2 3.98Å; E341-R345 PolarHBondContact OE1-NH2 2.83Å
342S98.1Very high98Very high66 Ų6648 Ų4846%0.46224%0.238SC..Hα-helixtrans-61.2-48.3176.1-164.90000110.8T340 Q344 R345 E346T340-S342 VanDerWaalsContact C-N 3.27Å; T340-S342 PolarHBondContact O-N 3.41Å; S342-Q344 VanDerWaalsContact C-N 3.33Å; S342-Q344 PolarHBondContact O-N 3.28Å; S342-R345 PolarHBondContact O-N 2.9Å; S342-E346 WeakPolarHBondContact O-CG 3.46Å; S342-E346 PolarHBondContact O-N 2.77Å
343D97.8Very high98.2Very high52 Ų5250.5 Ų50.528%0.27825%0.251SS..Hα-helixtrans-62.2-42.3176.3-88.4-46000112.1K255 C338 T340 R345 E346 W347K255-D343 WeakPolarHBondContact CE-O 3.19Å; K255-D343 IonicContact NZ-OD1 2.92Å; K255-D343 PolarHBondContact NZ-OD1 3.16Å; C338-D343 HydrophobicContact CB-CB 4.23Å; T340-D343 PolarHBondContact O-N 3.49Å; T340-D343 WeakPolarHBondContact OG1-CB 3.26Å; T340-D343 PolarHBondContact OG1-N 3.2Å; T340-D343 VanDerWaalsContact OG1-N 3.11Å; T340-D343 PolarHBondContact OG1-OD2 2.69Å; D343-R345 VanDerWaalsContact C-N 3.33Å; D343-R345 PolarHBondContact O-N 3.22Å; D343-E346 PolarHBondContact O-N 3.16Å; D343-W347 WeakPolarHBondContact O-CB 3.24Å; D343-W347 PolarHBondContact O-N 3.47Å
344Q98.6Very high98.2Very high21 Ų2145.5 Ų45.510%0.09823%0.23CC..Hα-helixtrans-57.1-48.1176.3-173.1-159.832.600111H323 G324 I325 C338 T340 E341 S342 E346 W347 V348H323-Q344 HydrophobicContact CB-CB 3.88Å; H323-Q344 HydrophobicContact CB-CG 4.09Å; G324-Q344 PolarHBondContact O-NE2 2.91Å; I325-Q344 HydrophobicContact CD1-CG 4.1Å; I325-Q344 HydrophobicContact CG1-CG 3.76Å; C338-Q344 HydrophobicContact CB-CB 4Å; T340-Q344 PolarHBondContact O-N 3.19Å; T340-Q344 VanDerWaalsContact O-N 3.07Å; E341-Q344 WeakPolarHBondContact O-CB 3.35Å; E341-Q344 PolarHBondContact O-N 3.45Å; S342-Q344 VanDerWaalsContact C-N 3.33Å; S342-Q344 PolarHBondContact O-N 3.28Å; Q344-E346 PolarHBondContact O-N 3.16Å; Q344-W347 PolarHBondContact O-N 2.89Å; Q344-V348 WeakPolarHBondContact O-CG2 3.36Å; Q344-V348 PolarHBondContact O-N 3.04Å
345R98.4Very high98.2Very high148 Ų14844.8 Ų44.856%0.55823%0.227SC*.Hα-helixtrans-60.9-44.8180-169.4-177.5-57.2164.23.5111.8E341 S342 D343 A349E341-R345 WeakPolarHBondContact O-CB 3.47Å; E341-R345 PolarHBondContact O-N 2.76Å; E341-R345 IonicContact OE1-CZ 2.66Å; E341-R345 IonicContact OE1-NH2 3.98Å; E341-R345 PolarHBondContact OE1-NH2 2.83Å; S342-R345 PolarHBondContact O-N 2.9Å; D343-R345 VanDerWaalsContact C-N 3.33Å; D343-R345 PolarHBondContact O-N 3.22Å; R345-A349 WeakPolarHBondContact O-CB 3.42Å; R345-A349 PolarHBondContact O-N 3.31Å
346E98.3Very high98.2Very high98 Ų9848 Ų4846%0.45824%0.244SC..Hα-helixtrans-67.2-39.5177.9-68.8173.7-160.500112.5K255 S342 D343 Q344 A349 A350K255-E346 HydrophobicContact CD-CB 3.68Å; K255-E346 IonicContact NZ-OE2 2.84Å; K255-E346 PolarHBondContact NZ-OE2 2.9Å; S342-E346 WeakPolarHBondContact O-CG 3.46Å; S342-E346 PolarHBondContact O-N 2.77Å; D343-E346 PolarHBondContact O-N 3.16Å; Q344-E346 PolarHBondContact O-N 3.16Å; E346-A349 PolarHBondContact O-N 3.12Å; E346-A350 PolarHBondContact O-N 3.34Å
347W98.6Very high98.2Very high1 Ų151.8 Ų51.80%0.00426%0.258CS..Hα-helixtrans-64.5-47.1174.7-84.9118.3000111.9K255 M259 F275 M277 L282 I325 D343 Q344 A349 A350 F351K255-W347 HydrophobicContact CB-CD2 4.47Å; K255-W347 HydrophobicContact CB-CE3 4.12Å; K255-W347 HydrophobicContact CB-CH2 4.21Å; K255-W347 HydrophobicContact CB-CZ3 3.99Å; K255-W347 HydrophobicContact CD-CB 4.33Å; K255-W347 HydrophobicContact CD-CD2 3.6Å; K255-W347 HydrophobicContact CD-CE3 4.04Å; K255-W347 HydrophobicContact CD-CG 3.73Å; K255-W347 HydrophobicContact CD-CZ2 4.43Å; K255-W347 VanDerWaalsContact CE-CG 3.42Å; K255-W347 VanDerWaalsContact CE-NE1 3.3Å; K255-W347 HydrophobicContact CG-CD2 3.96Å; K255-W347 HydrophobicContact CG-CE3 4.12Å; K255-W347 HydrophobicContact CG-CH2 4.1Å; K255-W347 HydrophobicContact CG-CZ2 3.96Å; K255-W347 HydrophobicContact CG-CZ3 4.19Å; M259-W347 HydrophobicContact CE-CD2 3.64Å; M259-W347 HydrophobicContact CE-CE3 3.89Å; M259-W347 HydrophobicContact CE-CG 4.18Å; M259-W347 HydrophobicContact CE-CH2 4.07Å; M259-W347 HydrophobicContact CE-CZ2 3.8Å; M259-W347 HydrophobicContact CE-CZ3 4.09Å; M259-W347 HydrophobicContact SD-CB 4.39Å; M259-W347 VanDerWaalsContact SD-CD1 3.53Å; M259-W347 HydrophobicContact SD-CD2 3.8Å; M259-W347 HydrophobicContact SD-CG 3.69Å; F275-W347 HydrophobicContact CB-CH2 3.54Å; F275-W347 HydrophobicContact CB-CZ2 3.79Å; F275-W347 HydrophobicContact CB-CZ3 4.37Å; M277-W347 HydrophobicContact CB-CZ3 4.04Å; L282-W347 HydrophobicContact CD1-CZ3 4.15Å; I325-W347 HydrophobicContact CD1-CB 3.54Å; I325-W347 HydrophobicContact CD1-CG 4.41Å; D343-W347 WeakPolarHBondContact O-CB 3.24Å; D343-W347 PolarHBondContact O-N 3.47Å; Q344-W347 PolarHBondContact O-N 2.89Å; W347-A349 VanDerWaalsContact C-N 3.32Å; W347-A349 PolarHBondContact O-N 3.25Å; W347-A350 PolarHBondContact O-N 3.32Å; W347-F351 HydrophobicContact CB-CE2 4.11Å; W347-F351 HydrophobicContact CE3-CE1 4.31Å; W347-F351 AromaticContact CE3-CE2 3.96Å; W347-F351 HydrophobicContact CE3-CE2 3.96Å; W347-F351 AromaticContact CE3-CZ 3.66Å; W347-F351 HydrophobicContact CE3-CZ 3.66Å; W347-F351 HydrophobicContact CZ3-CZ 4.12Å; W347-F351 WeakPolarHBondContact O-CD2 3.4Å; W347-F351 WeakPolarHBondContact O-CG 3.19Å; W347-F351 PolarHBondContact O-N 2.8Å
348V98.6Very high98.1Very high13 Ų1356 Ų568%0.07929%0.285CS..Hα-helixtrans-60.1-44.4175.8172.50000110.5V308 I325 Q344 A350 F351 Q352V308-V348 HydrophobicContact CG1-CG1 4.05Å; V308-V348 HydrophobicContact CG1-CG2 4.29Å; I325-V348 HydrophobicContact CD1-CG2 3.93Å; I325-V348 HydrophobicContact CG1-CG2 3.92Å; I325-V348 HydrophobicContact CG2-CG2 4.11Å; Q344-V348 WeakPolarHBondContact O-CG2 3.36Å; Q344-V348 PolarHBondContact O-N 3.04Å; V348-A350 VanDerWaalsContact C-N 3.31Å; V348-A350 PolarHBondContact O-N 2.81Å; V348-F351 PolarHBondContact O-N 3.24Å; V348-Q352 WeakPolarHBondContact O-CB 3.37Å; V348-Q352 PolarHBondContact O-N 2.86Å
349A98.3Very high98Very high59 Ų5956.6 Ų56.649%0.48829%0.288SS..Hα-helixtrans-58.9-41.6176.600000112.3R345 E346 W347 K353R345-A349 WeakPolarHBondContact O-CB 3.42Å; R345-A349 PolarHBondContact O-N 3.31Å; E346-A349 PolarHBondContact O-N 3.12Å; W347-A349 VanDerWaalsContact C-N 3.32Å; W347-A349 PolarHBondContact O-N 3.25Å; A349-K353 WeakPolarHBondContact O-CB 3.44Å; A349-K353 PolarHBondContact O-N 3.37Å
350A98.3Very high97.7Very high10 Ų1055 Ų558%0.08328%0.283CS..Hα-helixtrans-64.6-44.5176.300000112.3L254 K255 E346 W347 V348 A354L254-A350 HydrophobicContact CB-CB 4.44Å; K255-A350 HydrophobicContact CB-CB 4.25Å; E346-A350 PolarHBondContact O-N 3.34Å; W347-A350 PolarHBondContact O-N 3.32Å; V348-A350 VanDerWaalsContact C-N 3.31Å; V348-A350 PolarHBondContact O-N 2.81Å; A350-A354 PolarHBondContact O-N 2.76Å
351F98.6Very high97.3Very high0 Ų057.2 Ų57.20%030%0.299CS..Hα-helixtrans-67.2-43.8177.1-63.5-49.3000112.2M259 M277 L282 I299 V308 I325 I327 F336 W347 V348 K353 A354 V355M259-F351 HydrophobicContact CE-CZ 4.32Å; M277-F351 HydrophobicContact CE-CD1 4.07Å; M277-F351 HydrophobicContact CE-CE1 4.48Å; M277-F351 HydrophobicContact SD-CD1 4.27Å; M277-F351 HydrophobicContact SD-CE1 4.09Å; L282-F351 HydrophobicContact CD1-CE1 3.86Å; L282-F351 HydrophobicContact CD1-CZ 4.08Å; L282-F351 HydrophobicContact CD2-CE1 3.75Å; L282-F351 HydrophobicContact CD2-CZ 3.88Å; L282-F351 HydrophobicContact CG-CE1 4.28Å; I299-F351 HydrophobicContact CG1-CD1 4.37Å; V308-F351 HydrophobicContact CB-CB 4.41Å; V308-F351 HydrophobicContact CG1-CB 4.03Å; V308-F351 HydrophobicContact CG1-CD2 4.41Å; V308-F351 HydrophobicContact CG2-CB 3.49Å; V308-F351 VanDerWaalsContact CG2-CB 3.49Å; I325-F351 HydrophobicContact CD1-CE2 4.47Å; I325-F351 HydrophobicContact CG2-CD2 4.32Å; I325-F351 HydrophobicContact CG2-CE2 4.41Å; I327-F351 HydrophobicContact CD1-CD1 3.73Å; I327-F351 HydrophobicContact CD1-CD2 3.73Å; I327-F351 HydrophobicContact CD1-CE1 3.74Å; I327-F351 HydrophobicContact CD1-CE2 3.73Å; I327-F351 HydrophobicContact CD1-CG 3.75Å; I327-F351 HydrophobicContact CD1-CZ 3.74Å; I327-F351 HydrophobicContact CG1-CD2 4.37Å; F336-F351 HydrophobicContact CD2-CE2 4.38Å; F336-F351 HydrophobicContact CD2-CZ 4.4Å; F336-F351 HydrophobicContact CE2-CZ 4.28Å; W347-F351 HydrophobicContact CB-CE2 4.11Å; W347-F351 HydrophobicContact CE3-CE1 4.31Å; W347-F351 AromaticContact CE3-CE2 3.96Å; W347-F351 HydrophobicContact CE3-CE2 3.96Å; W347-F351 AromaticContact CE3-CZ 3.66Å; W347-F351 HydrophobicContact CE3-CZ 3.66Å; W347-F351 HydrophobicContact CZ3-CZ 4.12Å; W347-F351 WeakPolarHBondContact O-CD2 3.4Å; W347-F351 WeakPolarHBondContact O-CG 3.19Å; W347-F351 PolarHBondContact O-N 2.8Å; V348-F351 PolarHBondContact O-N 3.24Å; F351-K353 VanDerWaalsContact C-N 3.31Å; F351-K353 PolarHBondContact O-N 2.87Å; F351-A354 WeakPolarHBondContact O-CB 3.28Å; F351-A354 PolarHBondContact O-N 2.91Å; F351-A354 VanDerWaalsContact O-N 3.08Å; F351-V355 WeakPolarHBondContact O-CG2 3.29Å; F351-V355 PolarHBondContact O-N 3.04Å
352Q98.1Very high96.9Very high62 Ų6256.3 Ų56.329%0.2929%0.294SS..Hα-helixtrans-62.2-40.6-179.8-16860.64600110.9V348 A354 V355 D356V348-Q352 WeakPolarHBondContact O-CB 3.37Å; V348-Q352 PolarHBondContact O-N 2.86Å; Q352-A354 VanDerWaalsContact C-N 3.27Å; Q352-A354 PolarHBondContact O-N 3.31Å; Q352-V355 PolarHBondContact O-N 3.17Å; Q352-D356 WeakPolarHBondContact CG-OD2 3.2Å; Q352-D356 PolarHBondContact NE2-OD1 3.25Å; Q352-D356 PolarHBondContact NE2-OD2 3.38Å; Q352-D356 WeakPolarHBondContact O-CB 3.41Å; Q352-D356 PolarHBondContact O-N 2.99Å
353K97.4Very high96.6Very high136 Ų13653.8 Ų53.859%0.59128%0.275SS*.Hα-helixtrans-57.8-37.7173.5-175.4178.4-179.3179.90112.8A349 F351 R357A349-K353 WeakPolarHBondContact O-CB 3.44Å; A349-K353 PolarHBondContact O-N 3.37Å; F351-K353 VanDerWaalsContact C-N 3.31Å; F351-K353 PolarHBondContact O-N 2.87Å; K353-R357 WeakPolarHBondContact O-CB 3.42Å
354A97.2Very high96.4Very high1 Ų156.9 Ų56.91%0.00828%0.284CS..Hα-helixtrans-72.9-43.5175.600000111.5M277 R280 I299 A350 F351 Q352 R357M277-A354 HydrophobicContact CE-CB 3.84Å; R280-A354 PolarHBondContact NH1-O 2.91Å; I299-A354 HydrophobicContact CB-CB 4.47Å; I299-A354 HydrophobicContact CG2-CB 3.96Å; A350-A354 PolarHBondContact O-N 2.76Å; F351-A354 WeakPolarHBondContact O-CB 3.28Å; F351-A354 PolarHBondContact O-N 2.91Å; F351-A354 VanDerWaalsContact O-N 3.08Å; Q352-A354 VanDerWaalsContact C-N 3.27Å; Q352-A354 PolarHBondContact O-N 3.31Å; A354-R357 PolarHBondContact O-N 3.3Å
355V98.2Very high95.9Very high2 Ų258.5 Ų58.51%0.01230%0.301CS..Hα-helixtrans-66.5-38.3-178.41680000112.7I299 G300 S301 K302 Y306 V308 F351 Q352 R357I299-V355 HydrophobicContact CG2-CG2 3.89Å; G300-V355 WeakPolarHBondContact O-CA 3.5Å; S301-V355 WeakPolarHBondContact CA-O 3.43Å; K302-V355 HydrophobicContact CB-CG1 3.78Å; K302-V355 PolarHBondContact N-O 3.07Å; Y306-V355 VanDerWaalsContact O-CG1 3.29Å; Y306-V355 WeakPolarHBondContact O-CG1 3.25Å; V308-V355 HydrophobicContact CG2-CG2 3.88Å; F351-V355 WeakPolarHBondContact O-CG2 3.29Å; F351-V355 PolarHBondContact O-N 3.04Å; Q352-V355 PolarHBondContact O-N 3.17Å; V355-R357 VanDerWaalsContact C-N 3.32Å
356D98Very high95.5Very high69 Ų6954 Ų5437%0.36929%0.29SS..Hα-helixtrans-78.2-16179.3-77.9-38.3000114.2K302 Q352 P358K302-D356 IonicContact NZ-OD1 3.54Å; K302-D356 PolarHBondContact NZ-OD1 3.14Å; Q352-D356 WeakPolarHBondContact CG-OD2 3.2Å; Q352-D356 PolarHBondContact NE2-OD1 3.25Å; Q352-D356 PolarHBondContact NE2-OD2 3.38Å; Q352-D356 WeakPolarHBondContact O-CB 3.41Å; Q352-D356 PolarHBondContact O-N 2.99Å; D356-P358 WeakPolarHBondContact O-CD 3.35Å
357R96.9Very high95.2Very high81 Ų8150 Ų5031%0.30627%0.271SS..SBendtrans-81.6124.9176.1-170.7179.976.7-154.18.5109.1D279 R280 K353 A354 V355 E363D279-R357 VanDerWaalsContact CG-NH2 3.31Å; D279-R357 IonicContact OD1-CZ 3.76Å; D279-R357 VanDerWaalsContact OD1-CZ 3.22Å; D279-R357 IonicContact OD1-NH1 3.46Å; D279-R357 PolarHBondContact OD1-NH1 3.06Å; D279-R357 IonicContact OD1-NH2 2.86Å; D279-R357 PolarHBondContact OD1-NH2 2.93Å; D279-R357 IonicContact OD2-NH2 3.59Å; D279-R357 PolarHBondContact OD2-NH2 3.48Å; R280-R357 PolarHBondContact NH2-O 3.41Å; K353-R357 WeakPolarHBondContact O-CB 3.42Å; A354-R357 PolarHBondContact O-N 3.3Å; V355-R357 VanDerWaalsContact C-N 3.32Å; R357-E363 IonicContact CZ-OE1 3.02Å; R357-E363 IonicContact NH2-OE1 2.77Å; R357-E363 PolarHBondContact NH2-OE1 3.47Å
358P97Very high94.7Very high88 Ų8851.7 Ų51.757%0.57129%0.285SS*.PPolyproline II helixtrans-55.8148.9169.8-25.835.3000111.6R280 D356R280-P358 PolarHBondContact NH2-O 3.48Å; D356-P358 WeakPolarHBondContact O-CD 3.35Å
359M96.3Very high94.1Very high14 Ų1456.3 Ų56.37%0.06931%0.306CS..PPolyproline II helixtrans-75.5137.5177.9-63-160-52.600111.5F298 S304 E363 Y364F298-M359 HydrophobicContact CE1-SD 3.69Å; F298-M359 HydrophobicContact CZ-SD 3.86Å; S304-M359 WeakPolarHBondContact OG-CE 3.41Å; M359-E363 WeakPolarHBondContact CA-OE2 3.5Å; M359-E363 HydrophobicContact CB-CB 4.26Å; M359-Y364 HydrophobicContact CB-CD2 4.25Å; M359-Y364 HydrophobicContact CB-CE1 4.48Å; M359-Y364 HydrophobicContact CB-CE2 3.72Å; M359-Y364 HydrophobicContact CE-CD1 3.33Å; M359-Y364 HydrophobicContact CE-CD2 4.36Å; M359-Y364 HydrophobicContact CE-CE1 3.2Å; M359-Y364 HydrophobicContact CE-CE2 4.26Å; M359-Y364 HydrophobicContact CE-CG 3.93Å
360L92.3Very high93.4Very high74 Ų7455 Ų5539%0.38729%0.289SS..PPolyproline II helixtrans-74.5153.8170.1-59.3174.5000109.8Q362 E363 Y364L360-Q362 VanDerWaalsContact C-N 3.27Å; L360-Q362 VanDerWaalsContact CD1-NE2 3.34Å; L360-Q362 PolarHBondContact O-N 2.72Å; L360-Q362 VanDerWaalsContact O-N 3.13Å; L360-E363 HydrophobicContact CB-CG 4.04Å; L360-E363 PolarHBondContact N-OE2 3.12Å; L360-E363 WeakPolarHBondContact O-CA 3.47Å; L360-E363 WeakPolarHBondContact O-CB 3.43Å; L360-E363 PolarHBondContact O-N 3.08Å; L360-Y364 WeakPolarHBondContact O-CD2 3.41Å
361P90.9Very high92.3Very high106 Ų10658.6 Ų58.669%0.68830%0.303SS*.Hα-helixtrans-50.2-43.4-178.3-30.536.6000114.2E363 Y364P361-E363 VanDerWaalsContact C-N 3.29Å; P361-E363 PolarHBondContact O-N 3.25Å; P361-Y364 PolarHBondContact O-N 3.15Å
362Q88.1Confident90.7Very high81 Ų8165.8 Ų65.838%0.37934%0.336SS..Hα-helixtrans-68.4-23.5177.965.6-83.213.300114L360 Y364 A365 V366L360-Q362 VanDerWaalsContact C-N 3.27Å; L360-Q362 VanDerWaalsContact CD1-NE2 3.34Å; L360-Q362 PolarHBondContact O-N 2.72Å; L360-Q362 VanDerWaalsContact O-N 3.13Å; Q362-Y364 VanDerWaalsContact C-N 3.33Å; Q362-A365 PolarHBondContact O-N 2.91Å; Q362-V366 PolarHBondContact O-N 3.13Å
363E92.9Very high88.8Confident13 Ų1366.8 Ų66.86%0.06134%0.339CS..Hα-helixtrans-73.1-26.1-179.9-65.3177.9143.200111.9R280 F298 R357 M359 L360 P361 V366 E367R280-E363 WeakPolarHBondContact CD-OE1 3.5Å; R280-E363 IonicContact CZ-OE2 2.68Å; R280-E363 IonicContact NE-OE1 2.76Å; R280-E363 PolarHBondContact NE-OE1 3.07Å; R280-E363 IonicContact NE-OE2 3.46Å; R280-E363 PolarHBondContact NE-OE2 3.03Å; R280-E363 IonicContact NH2-OE2 2.63Å; R280-E363 PolarHBondContact NH2-OE2 3.23Å; F298-E363 HydrophobicContact CZ-CB 4.43Å; R357-E363 IonicContact CZ-OE1 3.02Å; R357-E363 IonicContact NH2-OE1 2.77Å; R357-E363 PolarHBondContact NH2-OE1 3.47Å; M359-E363 WeakPolarHBondContact CA-OE2 3.5Å; M359-E363 HydrophobicContact CB-CB 4.26Å; L360-E363 HydrophobicContact CB-CG 4.04Å; L360-E363 PolarHBondContact N-OE2 3.12Å; L360-E363 WeakPolarHBondContact O-CA 3.47Å; L360-E363 WeakPolarHBondContact O-CB 3.43Å; L360-E363 PolarHBondContact O-N 3.08Å; P361-E363 VanDerWaalsContact C-N 3.29Å; P361-E363 PolarHBondContact O-N 3.25Å; E363-V366 WeakPolarHBondContact O-CB 3.49Å; E363-V366 PolarHBondContact O-N 2.91Å; E363-E367 PolarHBondContact O-N 3.44Å
364Y92.8Very high86.2Confident117 Ų11769.6 Ų69.646%0.45937%0.372SS..Hα-helixtrans-63.7-40.5174.1-70.3-87.7000112.3M359 L360 P361 Q362 V366 E367 A368M359-Y364 HydrophobicContact CB-CD2 4.25Å; M359-Y364 HydrophobicContact CB-CE1 4.48Å; M359-Y364 HydrophobicContact CB-CE2 3.72Å; M359-Y364 HydrophobicContact CE-CD1 3.33Å; M359-Y364 HydrophobicContact CE-CD2 4.36Å; M359-Y364 HydrophobicContact CE-CE1 3.2Å; M359-Y364 HydrophobicContact CE-CE2 4.26Å; M359-Y364 HydrophobicContact CE-CG 3.93Å; L360-Y364 WeakPolarHBondContact O-CD2 3.41Å; P361-Y364 PolarHBondContact O-N 3.15Å; Q362-Y364 VanDerWaalsContact C-N 3.33Å; Y364-V366 VanDerWaalsContact C-N 3.31Å; Y364-V366 PolarHBondContact O-N 2.88Å; Y364-E367 PolarHBondContact O-N 3.31Å; Y364-A368 PolarHBondContact O-N 3.4Å
365A89.2Confident85.6Confident55 Ų5573.1 Ų73.146%0.45539%0.39SS..Hα-helixtrans-64.9-39.317500000111.1Q362 A368 H369Q362-A365 PolarHBondContact O-N 2.91Å; A365-A368 PolarHBondContact O-N 3.35Å; A365-H369 PolarHBondContact O-CD2 2.66Å; A365-H369 PolarHBondContact O-N 2.8Å
366V89.4Confident84.9Confident55 Ų5576.8 Ų76.833%0.33341%0.41SS..Hα-helixtrans-62.9-47.4174.8179.20000110.7F298 Q362 E363 Y364 A368 H369 F370F298-V366 HydrophobicContact CD2-CG1 4.04Å; F298-V366 HydrophobicContact CE2-CB 4.3Å; F298-V366 HydrophobicContact CE2-CG1 3.93Å; Q362-V366 PolarHBondContact O-N 3.13Å; E363-V366 WeakPolarHBondContact O-CB 3.49Å; E363-V366 PolarHBondContact O-N 2.91Å; Y364-V366 VanDerWaalsContact C-N 3.31Å; Y364-V366 PolarHBondContact O-N 2.88Å; V366-A368 VanDerWaalsContact C-N 3.32Å; V366-A368 PolarHBondContact O-N 3.36Å; V366-H369 WeakPolarHBondContact O-CB 3.29Å; V366-H369 PolarHBondContact O-N 2.83Å; V366-H369 VanDerWaalsContact O-N 3.13Å; V366-F370 HydrophobicContact CG1-CD2 4.31Å; V366-F370 HydrophobicContact CG1-CE2 4.01Å; V366-F370 WeakPolarHBondContact O-CD2 3.37Å; V366-F370 PolarHBondContact O-N 3.12Å
367E92.3Very high84.2Confident14 Ų1477.2 Ų77.27%0.06541%0.412CS..Hα-helixtrans-56.6-45.9177.4-173.2-170.9-118.200111.7F298 Y306 E363 Y364 H369 F370 K371F298-E367 HydrophobicContact CD1-CB 3.85Å; F298-E367 HydrophobicContact CD1-CG 3.63Å; F298-E367 HydrophobicContact CE1-CB 3.54Å; F298-E367 HydrophobicContact CE1-CG 3.63Å; F298-E367 HydrophobicContact CE2-CB 4.47Å; F298-E367 HydrophobicContact CG-CB 4.42Å; F298-E367 HydrophobicContact CG-CG 4.44Å; F298-E367 HydrophobicContact CZ-CB 3.88Å; F298-E367 HydrophobicContact CZ-CG 4.47Å; Y306-E367 VanDerWaalsContact CE2-OE1 3.22Å; Y306-E367 WeakPolarHBondContact CE2-OE1 3.28Å; Y306-E367 PolarHBondContact OH-OE1 3.49Å; E363-E367 PolarHBondContact O-N 3.44Å; Y364-E367 PolarHBondContact O-N 3.31Å; E367-H369 PolarHBondContact O-N 2.93Å; E367-F370 WeakPolarHBondContact O-CB 3.09Å; E367-F370 PolarHBondContact O-N 3.48Å; E367-K371 VanDerWaalsContact CD-NZ 3.3Å; E367-K371 HydrophobicContact CG-CD 4.39Å; E367-K371 PolarHBondContact O-N 3.23Å; E367-K371 VanDerWaalsContact O-N 3.13Å; E367-K371 IonicContact OE1-NZ 2.75Å; E367-K371 IonicContact OE2-NZ 3.55Å; E367-K371 PolarHBondContact OE2-NZ 3.31Å
368A88.1Confident83.5Confident36 Ų3677 Ų7730%0.29842%0.418SS..Hα-helixtrans-56.5-38.1178.500000111.8Y364 A365 V366 F370 K371 H372Y364-A368 PolarHBondContact O-N 3.4Å; A365-A368 PolarHBondContact O-N 3.35Å; V366-A368 VanDerWaalsContact C-N 3.32Å; V366-A368 PolarHBondContact O-N 3.36Å; A368-F370 VanDerWaalsContact C-N 3.27Å; A368-F370 PolarHBondContact O-N 3.39Å; A368-K371 PolarHBondContact O-N 2.72Å; A368-H372 PolarHBondContact O-N 3.06Å; A368-H372 VanDerWaalsContact O-N 3.16Å; A368-H372 PolarHBondContact O-ND1 2.86Å
369H84.8Confident82.6Confident110 Ų11076.3 Ų76.351%0.50941%0.409SS..Hα-helixtrans-66.5-24.4176.2-68.4-48.9000114.4N203 A365 V366 E367N203-H369 PolarHBondContact ND2-O 2.98Å; A365-H369 PolarHBondContact O-CD2 2.66Å; A365-H369 PolarHBondContact O-N 2.8Å; V366-H369 WeakPolarHBondContact O-CB 3.29Å; V366-H369 PolarHBondContact O-N 2.83Å; V366-H369 VanDerWaalsContact O-N 3.13Å; E367-H369 PolarHBondContact O-N 2.93Å
370F83.5Confident81.7Confident32 Ų3280.5 Ų80.514%0.1443%0.431CS..Hα-helixtrans-81.1-34.7174.1-81.9-95.3000112.3R281 E296 F298 V366 E367 A368 H372R281-F370 HydrophobicContact CG-CZ 4.07Å; E296-F370 HydrophobicContact CB-CE1 3.69Å; E296-F370 HydrophobicContact CB-CZ 4.3Å; F298-F370 HydrophobicContact CB-CB 3.99Å; F298-F370 HydrophobicContact CB-CD1 4.09Å; F298-F370 HydrophobicContact CB-CD2 3.8Å; F298-F370 HydrophobicContact CB-CE2 4.27Å; F298-F370 HydrophobicContact CB-CG 3.7Å; F298-F370 HydrophobicContact CD2-CD2 4.25Å; F298-F370 HydrophobicContact CD2-CE2 4.34Å; F298-F370 HydrophobicContact CG-CD2 4.37Å; V366-F370 HydrophobicContact CG1-CD2 4.31Å; V366-F370 HydrophobicContact CG1-CE2 4.01Å; V366-F370 WeakPolarHBondContact O-CD2 3.37Å; V366-F370 PolarHBondContact O-N 3.12Å; E367-F370 WeakPolarHBondContact O-CB 3.09Å; E367-F370 PolarHBondContact O-N 3.48Å; A368-F370 VanDerWaalsContact C-N 3.27Å; A368-F370 PolarHBondContact O-N 3.39Å; F370-H372 VanDerWaalsContact C-N 3.34Å
371K75.9Confident81Confident85 Ų8580.9 Ų80.937%0.3744%0.435SS..Hα-helixtrans-66.1-35.3176.3-71.9175.1172.8166.20112.7E367 A368E367-K371 VanDerWaalsContact CD-NZ 3.3Å; E367-K371 HydrophobicContact CG-CD 4.39Å; E367-K371 PolarHBondContact O-N 3.23Å; E367-K371 VanDerWaalsContact O-N 3.13Å; E367-K371 IonicContact OE1-NZ 2.75Å; E367-K371 IonicContact OE2-NZ 3.55Å; E367-K371 PolarHBondContact OE2-NZ 3.31Å; A368-K371 PolarHBondContact O-N 2.72Å
372H65.1Low80.2Confident151 Ų15179 Ų7970%0.69942%0.415SS*.THydrogen-bonded Turntrans-100.814.6-175.1-58.786.8000114.1A368 F370 P374A368-H372 PolarHBondContact O-N 3.06Å; A368-H372 VanDerWaalsContact O-N 3.16Å; A368-H372 PolarHBondContact O-ND1 2.86Å; F370-H372 VanDerWaalsContact C-N 3.34Å; H372-P374 WeakPolarHBondContact O-CD 3.29Å
373K59.2Low79.5Confident82 Ų8278.8 Ų78.836%0.35742%0.418SS..  trans-69.9119.2171.3-114.4-179.8-178.6171.90108N203N203-K373 WeakPolarHBondContact O-CE 3.39Å; N203-K373 PolarHBondContact O-NZ 3.44Å
374P41.1Very low78.3Confident196 Ų19684.8 Ų84.8100%1.27345%0.451SS*.  trans-63.50-179.625.5-32.8000113H372H372-P374 WeakPolarHBondContact O-CD 3.29Å

Retrieved 374 of 374 residues in 222.1 ms (Link to these results)

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