A0A087Y5P5_POEFO Loading...

E3 ubiquitin-protein ligase KCMF1

AlphaFold DB , UniProt , Accession A0A087Y5P5, Species POEFO (Poecilia formosa, Amazon molly), Gene KCMF1, Length 389 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
1M75.5Confident92.7Very high148 Ų14862.4 Ų62.473%0.72937%0.37SS*.  0151.20-71.6142.9164.300109.1R58 V59M1-R58 PolarHBondContact O-N 2.91Å; M1-V59 PolarHBondContact O-N 2.69Å
2S86.7Confident93.1Very high55 Ų5562.1 Ų62.139%0.38537%0.372SS..  trans-109.519.6-177.456.80000113.7R18S2-R18 VanDerWaalsContact O-CG 3.31Å; S2-R18 WeakPolarHBondContact O-CG 3.11Å; S2-R18 PolarHBondContact O-NE 3Å
3R93.7Very high93.3Very high112 Ų11268.2 Ų68.242%0.42340%0.401SS..SBendtrans-164.7159.7177.962.6-172.3172.7-157-5.4108.7E5 F17 R18R3-E5 HydrophobicContact CG-CG 3.64Å; R3-E5 IonicContact CZ-OE1 3.99Å; R3-E5 IonicContact NE-OE1 3.07Å; R3-E5 PolarHBondContact NE-OE1 3.34Å; R3-E5 IonicContact NH2-OE1 2.83Å; R3-E5 PolarHBondContact NH2-OE1 2.76Å; R3-E5 PolarHBondContact O-N 3.33Å; R3-F17 CarbonylContact C-O 3.57Å; R3-F17 VanDerWaalsContact CA-O 3.27Å; R3-F17 WeakPolarHBondContact CA-O 3.29Å; R3-F17 WeakPolarHBondContact CB-O 3.36Å; R3-R18 HydrophobicContact CB-CG 4.09Å
4H94.1Very high93.6Very high16 Ų1672.1 Ų72.17%0.07441%0.41CS..  trans-84.185.5176-64.1-75.5000110V7 N16 F17 G19 R21 I55 T57H4-V7 HydrophobicContact CB-CB 3.94Å; H4-V7 HydrophobicContact CB-CG2 3.97Å; H4-V7 PolarHBondContact O-N 3.37Å; H4-N16 WeakPolarHBondContact O-CA 3.38Å; H4-F17 AromaticContact CD2-CE2 3.84Å; H4-F17 PolarHBondContact N-O 2.95Å; H4-G19 PolarHBondContact CD2-O 3.47Å; H4-G19 PolarHBondContact NE2-O 2.92Å; H4-R21 WeakPolarHBondContact NE2-CB 3.28Å; H4-I55 PolarHBondContact CE1-O 2.83Å; H4-I55 PolarHBondContact NE2-O 3.11Å; H4-T57 WeakPolarHBondContact NE2-CG2 3.45Å
5E93.1Very high93.8Very high92 Ų9269.9 Ų69.943%0.4341%0.409SS..THydrogen-bonded Turntrans-69.4133.1-176.8-61.2-170.1145.600111.5R3 V7 N16R3-E5 HydrophobicContact CG-CG 3.64Å; R3-E5 IonicContact CZ-OE1 3.99Å; R3-E5 IonicContact NE-OE1 3.07Å; R3-E5 PolarHBondContact NE-OE1 3.34Å; R3-E5 IonicContact NH2-OE1 2.83Å; R3-E5 PolarHBondContact NH2-OE1 2.76Å; R3-E5 PolarHBondContact O-N 3.33Å; E5-V7 VanDerWaalsContact C-N 3.31Å; E5-N16 WeakPolarHBondContact CA-OD1 3.45Å
6G92.6Very high93.8Very high77 Ų7770.8 Ų70.879%0.79441%0.412SS*.THydrogen-bonded Turntrans82.7-1.9-175.700000115.3N16G6-N16 PolarHBondContact N-OD1 3.49Å
7V94.9Very high93.9Very high20 Ų2066.9 Ų66.912%0.12139%0.389CS..  trans-103.1139.7-179.4-174.90000111H4 E5 G15 N16 F17 D31H4-V7 HydrophobicContact CB-CB 3.94Å; H4-V7 HydrophobicContact CB-CG2 3.97Å; H4-V7 PolarHBondContact O-N 3.37Å; E5-V7 VanDerWaalsContact C-N 3.31Å; V7-G15 CarbonylContact O-C 3.59Å; V7-G15 WeakPolarHBondContact O-CA 3.45Å; V7-N16 PolarHBondContact O-N 2.97Å; V7-F17 HydrophobicContact CG1-CE1 4.09Å; V7-F17 HydrophobicContact CG1-CZ 4.4Å; V7-D31 HydrophobicContact CG1-CB 4.18Å
8S97.1Very high93.9Very high61 Ų6173.3 Ų73.343%0.42741%0.406SS..BIsolated β-bridgetrans-116.3153.3167.9450000111.4
9C97.9Very high93.8Very high0 Ų070.6 Ų70.60%040%0.396CS..  trans-89.7122.5167.71700000110.1A11 C12 L13 K14 F17 D31 C33C9-A11 VanDerWaalsContact C-N 3.33Å; C9-A11 PolarHBondContact O-N 3.36Å; C9-C12 PolarHBondContact O-N 3.12Å; C9-L13 WeakPolarHBondContact O-CA 3.33Å; C9-L13 PolarHBondContact O-N 3.36Å; C9-K14 PolarHBondContact N-O 3.08Å; C9-F17 HydrophobicContact CB-CD1 4.46Å; C9-F17 HydrophobicContact CB-CE1 4.07Å; C9-D31 CarbonylContact C-O 3.48Å; C9-D31 VanDerWaalsContact CA-O 3.26Å; C9-D31 WeakPolarHBondContact CA-O 3.46Å; C9-C33 HydrophobicContact CB-CB 4.02Å; C9-C33 PolarHBondContact SG-N 3.5Å
10D97.6Very high93.9Very high63 Ų6372.5 Ų72.534%0.33740%0.396SS..THydrogen-bonded Turntrans-64.4-33.3-175.4-68.9-76.7000114.1Y30 D31D10-Y30 HydrophobicContact CB-CD2 3.78Å; D10-Y30 HydrophobicContact CB-CE2 3.5Å; D10-Y30 WeakPolarHBondContact OD2-CA 3.3Å; D10-D31 PolarHBondContact N-O 3.49Å; D10-D31 PolarHBondContact OD2-N 2.83Å
11A96.9Very high94Very high42 Ų4270.2 Ų70.235%0.34738%0.382SS..THydrogen-bonded Turntrans-73.7-32.7-178.200000114.4C9 L32 C36 A41C9-A11 VanDerWaalsContact C-N 3.33Å; C9-A11 PolarHBondContact O-N 3.36Å; A11-L32 HydrophobicContact CB-CD2 3.67Å; A11-C36 HydrophobicContact CB-CB 3.93Å; A11-A41 HydrophobicContact CB-CB 3.57Å
12C96.9Very high95Very high59 Ų5963.8 Ų63.840%0.39935%0.35SS..THydrogen-bonded Turntrans-123.64.1-176.866.70000114.6C9 K14C9-C12 PolarHBondContact O-N 3.12Å; C12-K14 PolarHBondContact O-N 3.15Å; C12-K14 VanDerWaalsContact SG-CB 3.52Å
13L96.6Very high95.6Very high142 Ų14261.2 Ų61.274%0.74333%0.332SS*.  trans55.415.1-178.3-51.4-179000115.1C9 G15C9-L13 WeakPolarHBondContact O-CA 3.33Å; C9-L13 PolarHBondContact O-N 3.36Å; L13-G15 PolarHBondContact O-N 3.05Å
14K96.6Very high95.8Very high122 Ų12255.9 Ų55.953%0.5331%0.312SS..  trans-74107.5-178.8-173.4178.9-178.2176.70110.4C9 C12 F17C9-K14 PolarHBondContact N-O 3.08Å; C12-K14 PolarHBondContact O-N 3.15Å; C12-K14 VanDerWaalsContact SG-CB 3.52Å; K14-F17 HydrophobicContact CD-CB 4.34Å; K14-F17 HydrophobicContact CG-CB 4.37Å; K14-F17 WeakPolarHBondContact O-CD1 3.47Å
15G96.2Very high95.9Very high39 Ų3955.1 Ų55.140%0.40231%0.308SS..BIsolated β-bridgetrans-78.5156.7172.800000114.3V7 L13 F17V7-G15 CarbonylContact O-C 3.59Å; V7-G15 WeakPolarHBondContact O-CA 3.45Å; L13-G15 PolarHBondContact O-N 3.05Å; G15-F17 VanDerWaalsContact C-N 3.32Å; G15-F17 PolarHBondContact O-N 3.43Å
16N95.1Very high96.2Very high84 Ų8454 Ų5445%0.44931%0.305SS..SBendtrans54.139.5167.9-56.4-64.6000114.7H4 E5 G6 V7H4-N16 WeakPolarHBondContact O-CA 3.38Å; E5-N16 WeakPolarHBondContact CA-OD1 3.45Å; G6-N16 PolarHBondContact N-OD1 3.49Å; V7-N16 PolarHBondContact O-N 2.97Å
17F95.2Very high96.4Very high6 Ų651 Ų513%0.02627%0.271CS..  trans-78.8163.6-173.462.5-94.4000113.8R3 H4 V7 C9 K14 G15 R21 C33R3-F17 CarbonylContact C-O 3.57Å; R3-F17 VanDerWaalsContact CA-O 3.27Å; R3-F17 WeakPolarHBondContact CA-O 3.29Å; R3-F17 WeakPolarHBondContact CB-O 3.36Å; H4-F17 AromaticContact CD2-CE2 3.84Å; H4-F17 PolarHBondContact N-O 2.95Å; V7-F17 HydrophobicContact CG1-CE1 4.09Å; V7-F17 HydrophobicContact CG1-CZ 4.4Å; C9-F17 HydrophobicContact CB-CD1 4.46Å; C9-F17 HydrophobicContact CB-CE1 4.07Å; K14-F17 HydrophobicContact CD-CB 4.34Å; K14-F17 HydrophobicContact CG-CB 4.37Å; K14-F17 WeakPolarHBondContact O-CD1 3.47Å; G15-F17 VanDerWaalsContact C-N 3.32Å; G15-F17 PolarHBondContact O-N 3.43Å; F17-R21 HydrophobicContact CE2-CB 3.87Å; F17-R21 HydrophobicContact CZ-CB 3.92Å; F17-R21 HydrophobicContact CZ-CG 4.16Å; F17-C33 HydrophobicContact CD1-CB 3.97Å; F17-C33 HydrophobicContact CD2-CB 3.53Å; F17-C33 HydrophobicContact CE1-CB 3.96Å; F17-C33 HydrophobicContact CE2-CB 3.53Å; F17-C33 HydrophobicContact CG-CB 3.76Å; F17-C33 HydrophobicContact CZ-CB 3.74Å
18R93.6Very high96.4Very high182 Ų18257.8 Ų57.869%0.68730%0.296SS*.  trans-101.1163.6179.4-61.2-164.5160.8146.8-2.7111.9S2 R3S2-R18 VanDerWaalsContact O-CG 3.31Å; S2-R18 WeakPolarHBondContact O-CG 3.11Å; S2-R18 PolarHBondContact O-NE 3Å; R3-R18 HydrophobicContact CB-CG 4.09Å
19G92.1Very high96.3Very high21 Ų2159.2 Ų59.222%0.21630%0.299CS..SBendtrans77.9-147.9176.300000112.8H4 R21 D60H4-G19 PolarHBondContact CD2-O 3.47Å; H4-G19 PolarHBondContact NE2-O 2.92Å; G19-R21 PolarHBondContact O-N 2.78Å; G19-D60 WeakPolarHBondContact CA-OD2 3.21Å; G19-D60 PolarHBondContact N-OD2 2.93Å
20R94.9Very high96.3Very high108 Ų10860 Ų6041%0.40830%0.301SS..  trans-69.3122.8-176.8-55.3-170.8-74-152.21.2111.7F22 A34 E38 L56R20-F22 HydrophobicContact CB-CD2 4.15Å; R20-F22 HydrophobicContact CB-CE2 3.46Å; R20-F22 VanDerWaalsContact CB-CE2 3.46Å; R20-F22 HydrophobicContact CB-CZ 3.99Å; R20-F22 HydrophobicContact CG-CE2 4.38Å; R20-A34 HydrophobicContact CB-CB 4.23Å; R20-A34 PolarHBondContact O-N 3.47Å; R20-A34 VanDerWaalsContact O-N 3.14Å; R20-E38 IonicContact CZ-OE1 3.71Å; R20-E38 IonicContact NE-OE1 3.18Å; R20-E38 IonicContact NH2-OE1 2.87Å; R20-E38 PolarHBondContact NH2-OE1 2.74Å; R20-L56 HydrophobicContact CG-CD2 3.95Å
21R96.4Very high96.3Very high26 Ų2657.1 Ų57.110%0.09829%0.286CS..EExtended strand (participates in β ladder)trans-92.6138.5159.2167.8-173.8-176.6-175.68.1107.4H4 F17 G19 D31 C54 I55H4-R21 WeakPolarHBondContact NE2-CB 3.28Å; F17-R21 HydrophobicContact CE2-CB 3.87Å; F17-R21 HydrophobicContact CZ-CB 3.92Å; F17-R21 HydrophobicContact CZ-CG 4.16Å; G19-R21 PolarHBondContact O-N 2.78Å; R21-D31 WeakPolarHBondContact CG-OD1 3.48Å; R21-D31 IonicContact CZ-OD1 3.6Å; R21-D31 IonicContact CZ-OD2 3.14Å; R21-D31 IonicContact NE-OD1 2.76Å; R21-D31 PolarHBondContact NE-OD1 3.46Å; R21-D31 IonicContact NE-OD2 2.73Å; R21-D31 VanDerWaalsContact NH2-CG 3.32Å; R21-D31 IonicContact NH2-OD1 2.74Å; R21-D31 PolarHBondContact NH2-OD1 3.46Å; R21-D31 IonicContact NH2-OD2 2.69Å; R21-D31 PolarHBondContact NH2-OD2 2.98Å; R21-C54 CarbonylContact O-C 3.54Å; R21-C54 WeakPolarHBondContact O-CA 3.34Å; R21-I55 HydrophobicContact CB-CB 4.22Å; R21-I55 HydrophobicContact CG-CB 4.35Å; R21-I55 HydrophobicContact CG-CD1 4.43Å; R21-I55 PolarHBondContact N-O 3.28Å; R21-I55 PolarHBondContact O-N 3.45Å
22F97.7Very high96.4Very high13 Ų1355.2 Ų55.26%0.05727%0.27CS..EExtended strand (participates in β ladder)trans-118.8109.7174.1-71.3-89000107.7R20 L32 A34 Y37 M52 Q53 C54R20-F22 HydrophobicContact CB-CD2 4.15Å; R20-F22 HydrophobicContact CB-CE2 3.46Å; R20-F22 VanDerWaalsContact CB-CE2 3.46Å; R20-F22 HydrophobicContact CB-CZ 3.99Å; R20-F22 HydrophobicContact CG-CE2 4.38Å; F22-L32 HydrophobicContact CB-CB 4.31Å; F22-L32 PolarHBondContact N-O 3.28Å; F22-L32 PolarHBondContact O-N 2.76Å; F22-A34 HydrophobicContact CE2-CB 4.35Å; F22-Y37 HydrophobicContact CB-CD2 4.16Å; F22-Y37 HydrophobicContact CB-CG 4.13Å; F22-Y37 AromaticContact CD1-CD1 3.73Å; F22-Y37 HydrophobicContact CD1-CD1 3.73Å; F22-Y37 HydrophobicContact CD1-CD2 4.04Å; F22-Y37 AromaticContact CD1-CE1 3.84Å; F22-Y37 HydrophobicContact CD1-CE1 3.84Å; F22-Y37 HydrophobicContact CD1-CE2 4.14Å; F22-Y37 AromaticContact CD1-CG 3.83Å; F22-Y37 HydrophobicContact CD1-CG 3.83Å; F22-Y37 AromaticContact CD2-CD1 3.86Å; F22-Y37 HydrophobicContact CD2-CD1 3.86Å; F22-Y37 AromaticContact CD2-CG 3.8Å; F22-Y37 HydrophobicContact CD2-CG 3.8Å; F22-Y37 AromaticContact CE1-CD1 3.54Å; F22-Y37 HydrophobicContact CE1-CD1 3.54Å; F22-Y37 AromaticContact CE1-CE1 3.46Å; F22-Y37 HydrophobicContact CE1-CE1 3.46Å; F22-Y37 VanDerWaalsContact CE1-CE1 3.46Å; F22-Y37 HydrophobicContact CE1-CG 4.14Å; F22-Y37 AromaticContact CE1-CZ 4Å; F22-Y37 AromaticContact CE2-CD1 3.67Å; F22-Y37 HydrophobicContact CE2-CD1 3.67Å; F22-Y37 HydrophobicContact CE2-CE1 4.39Å; F22-Y37 HydrophobicContact CE2-CG 4.1Å; F22-Y37 AromaticContact CG-CD1 3.88Å; F22-Y37 HydrophobicContact CG-CD1 3.88Å; F22-Y37 HydrophobicContact CG-CD2 4.03Å; F22-Y37 HydrophobicContact CG-CE1 4.45Å; F22-Y37 AromaticContact CG-CG 3.64Å; F22-Y37 HydrophobicContact CG-CG 3.64Å; F22-Y37 AromaticContact CZ-CD1 3.51Å; F22-Y37 HydrophobicContact CZ-CD1 3.51Å; F22-Y37 AromaticContact CZ-CE1 3.77Å; F22-Y37 HydrophobicContact CZ-CE1 3.77Å; F22-Y37 HydrophobicContact CZ-CG 4.27Å; F22-M52 HydrophobicContact CB-CB 4.43Å; F22-M52 HydrophobicContact CB-CE 3.81Å; F22-M52 HydrophobicContact CD1-CB 4.42Å; F22-M52 WeakPolarHBondContact O-CE 3.38Å; F22-Q53 WeakPolarHBondContact CA-O 3.3Å; F22-C54 HydrophobicContact CD1-CB 4.1Å; F22-C54 HydrophobicContact CE1-CB 3.79Å; F22-C54 HydrophobicContact CZ-CB 4.44Å
23K97.6Very high96.4Very high0 Ų052.8 Ų52.80%025%0.254CS..EExtended strand (participates in β ladder)trans-94.1133177.7-174.5150-168.163.20110.4Y30 D31 M52 Q53 I55 A114 P121 N122K23-Y30 PolarHBondContact NZ-O 2.99Å; K23-D31 WeakPolarHBondContact CA-OD1 3.47Å; K23-D31 VanDerWaalsContact CB-OD1 3.28Å; K23-D31 WeakPolarHBondContact CB-OD1 3.46Å; K23-D31 IonicContact NZ-OD2 3.62Å; K23-D31 PolarHBondContact NZ-OD2 3.37Å; K23-M52 CarbonylContact O-C 3.53Å; K23-M52 VanDerWaalsContact O-CA 3.28Å; K23-M52 WeakPolarHBondContact O-CA 3.44Å; K23-Q53 PolarHBondContact N-O 2.91Å; K23-Q53 PolarHBondContact O-N 3.48Å; K23-I55 HydrophobicContact CB-CD1 3.85Å; K23-A114 HydrophobicContact CD-CB 4.3Å; K23-P121 WeakPolarHBondContact CE-O 3.23Å; K23-N122 WeakPolarHBondContact CE-OD1 3.45Å; K23-N122 PolarHBondContact NZ-OD1 3.37Å
24C98.2Very high96.5Very high0 Ų047 Ų470%023%0.226CC..EExtended strand (participates in β ladder)trans-73.2138.2174.9-166.90000111C27 Y30 H50 M52 I109C24-C27 HydrophobicContact CB-CB 3.84Å; C24-C27 PolarHBondContact SG-N 3.03Å; C24-C27 VanDerWaalsContact SG-N 3.38Å; C24-Y30 HydrophobicContact CB-CD1 3.98Å; C24-Y30 PolarHBondContact N-O 3.26Å; C24-Y30 VanDerWaalsContact N-O 3.11Å; C24-H50 VanDerWaalsContact SG-CB 3.59Å; C24-M52 WeakPolarHBondContact CA-SD 3.26Å; C24-M52 HydrophobicContact CB-CE 4.09Å; C24-M52 HydrophobicContact CB-SD 3.52Å; C24-M52 VanDerWaalsContact CB-SD 3.52Å; C24-I109 WeakPolarHBondContact O-CD1 3.47Å
25L97.8Very high96.5Very high0 Ų045 Ų450%023%0.228CC..SBendtrans-91.9-2.4178.2-58.6-179.9000113.6P51 Q53 T79 P81 I109 P111L25-P51 HydrophobicContact CB-CG 4.46Å; L25-P51 HydrophobicContact CD1-CB 4.49Å; L25-P51 PolarHBondContact N-O 3.48Å; L25-Q53 HydrophobicContact CD1-CB 4.31Å; L25-Q53 HydrophobicContact CD2-CB 3.86Å; L25-Q53 HydrophobicContact CG-CB 4.27Å; L25-T79 WeakPolarHBondContact CD1-O 3.31Å; L25-P81 HydrophobicContact CB-CB 3.84Å; L25-P81 HydrophobicContact CD1-CB 4.03Å; L25-I109 PolarHBondContact O-N 3.38Å; L25-P111 HydrophobicContact CD1-CB 3.99Å; L25-P111 HydrophobicContact CD1-CG 4.46Å; L25-P111 HydrophobicContact CD2-CB 3.92Å
26I97.4Very high96.6Very high70 Ų7043.8 Ų43.836%0.35921%0.213SC..SBendtrans-115-39.1177.7-49.8-59.3000111.3H50 P51 V108I26-H50 HydrophobicContact CB-CB 4.48Å; I26-H50 HydrophobicContact CG1-CB 4.23Å; I26-P51 HydrophobicContact CD1-CG 4.2Å; I26-P51 HydrophobicContact CG1-CG 4.16Å; I26-V108 HydrophobicContact CD1-CG1 4.03Å
27C97.3Very high96.8Very high12 Ų1244 Ų448%0.08121%0.208CC..SBendtrans-89.5113.4-175.8-55.20000111.1C24 D29 Y30 R45 H50 I109C24-C27 HydrophobicContact CB-CB 3.84Å; C24-C27 PolarHBondContact SG-N 3.03Å; C24-C27 VanDerWaalsContact SG-N 3.38Å; C27-D29 PolarHBondContact O-N 2.87Å; C27-Y30 VanDerWaalsContact CB-CB 3.43Å; C27-Y30 HydrophobicContact CB-CG 4.02Å; C27-Y30 PolarHBondContact O-N 3.29Å; C27-R45 PolarHBondContact SG-O 3.07Å; C27-H50 VanDerWaalsContact SG-CE1 3.54Å; C27-H50 PolarHBondContact SG-ND1 2.85Å; C27-I109 WeakPolarHBondContact O-CD1 3.28Å
28Y96Very high96.9Very high163 Ų16348.8 Ų48.864%0.63923%0.231SC*.THydrogen-bonded Turntrans-52.7128.7173.2-171.6-86.2000112Y30 N122 V124Y28-Y30 PolarHBondContact O-N 3.3Å; Y28-Y30 VanDerWaalsContact O-N 3.14Å; Y28-N122 HydrophobicContact CD2-CB 4.23Å; Y28-N122 HydrophobicContact CE2-CB 3.71Å; Y28-V124 HydrophobicContact CD2-CG2 3.9Å; Y28-V124 HydrophobicContact CE2-CG2 4.44Å
29D95.1Very high97.1Very high92 Ų9244.2 Ų44.249%0.49223%0.227SC..THydrogen-bonded Turntrans52.924.6179.8-145.727.9000116.5C27 N122C27-D29 PolarHBondContact O-N 2.87Å; D29-N122 WeakPolarHBondContact CA-OD1 3.24Å; D29-N122 PolarHBondContact N-OD1 3.28Å; D29-N122 VanDerWaalsContact N-OD1 3.08Å; D29-N122 PolarHBondContact OD1-ND2 3.05Å
30Y97.8Very high97.3Very high15 Ų1544.7 Ų44.76%0.05923%0.232CC..  trans-96.8131.1178.2-166.3-92.5000112.5D10 K23 C24 C27 Y28 L32 A41 T43 H46D10-Y30 HydrophobicContact CB-CD2 3.78Å; D10-Y30 HydrophobicContact CB-CE2 3.5Å; D10-Y30 WeakPolarHBondContact OD2-CA 3.3Å; K23-Y30 PolarHBondContact NZ-O 2.99Å; C24-Y30 HydrophobicContact CB-CD1 3.98Å; C24-Y30 PolarHBondContact N-O 3.26Å; C24-Y30 VanDerWaalsContact N-O 3.11Å; C27-Y30 VanDerWaalsContact CB-CB 3.43Å; C27-Y30 HydrophobicContact CB-CG 4.02Å; C27-Y30 PolarHBondContact O-N 3.29Å; Y28-Y30 PolarHBondContact O-N 3.3Å; Y28-Y30 VanDerWaalsContact O-N 3.14Å; Y30-L32 HydrophobicContact CD1-CG 4.49Å; Y30-L32 HydrophobicContact CE1-CD1 4.13Å; Y30-L32 HydrophobicContact CE1-CD2 3.8Å; Y30-L32 HydrophobicContact CE1-CG 3.76Å; Y30-A41 PolarHBondContact OH-O 2.94Å; Y30-T43 HydrophobicContact CE2-CG2 4.02Å; Y30-T43 WeakPolarHBondContact CE2-OG1 3.36Å; Y30-T43 WeakPolarHBondContact OH-CG2 3.27Å; Y30-H46 HydrophobicContact CD1-CB 4.2Å; Y30-H46 AromaticContact CD1-CG 3.85Å; Y30-H46 AromaticContact CD1-ND1 3.97Å; Y30-H46 HydrophobicContact CD2-CB 4.41Å; Y30-H46 HydrophobicContact CE1-CB 3.76Å; Y30-H46 AromaticContact CE1-CD2 3.25Å; Y30-H46 WeakPolarHBondContact CE1-CD2 3.42Å; Y30-H46 AromaticContact CE1-CE1 3.99Å; Y30-H46 AromaticContact CE1-CG 3.28Å; Y30-H46 AromaticContact CE1-ND1 3.75Å; Y30-H46 AromaticContact CE1-NE2 3.7Å; Y30-H46 HydrophobicContact CE2-CB 3.99Å; Y30-H46 HydrophobicContact CG-CB 4.49Å; Y30-H46 AromaticContact CZ-CD2 3.52Å; Y30-H46 AromaticContact CZ-CG 3.6Å; Y30-H46 PolarHBondContact OH-CD2 3.07Å; Y30-H46 VanDerWaalsContact OH-CD2 3.3Å
31D97.9Very high97.4Very high4 Ų440.5 Ų40.52%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-143.6138.4-174.7-89.8-75.5000112.4V7 C9 D10 R21 K23V7-D31 HydrophobicContact CG1-CB 4.18Å; C9-D31 CarbonylContact C-O 3.48Å; C9-D31 VanDerWaalsContact CA-O 3.26Å; C9-D31 WeakPolarHBondContact CA-O 3.46Å; D10-D31 PolarHBondContact N-O 3.49Å; D10-D31 PolarHBondContact OD2-N 2.83Å; R21-D31 WeakPolarHBondContact CG-OD1 3.48Å; R21-D31 IonicContact CZ-OD1 3.6Å; R21-D31 IonicContact CZ-OD2 3.14Å; R21-D31 IonicContact NE-OD1 2.76Å; R21-D31 PolarHBondContact NE-OD1 3.46Å; R21-D31 IonicContact NE-OD2 2.73Å; R21-D31 VanDerWaalsContact NH2-CG 3.32Å; R21-D31 IonicContact NH2-OD1 2.74Å; R21-D31 PolarHBondContact NH2-OD1 3.46Å; R21-D31 IonicContact NH2-OD2 2.69Å; R21-D31 PolarHBondContact NH2-OD2 2.98Å; K23-D31 WeakPolarHBondContact CA-OD1 3.47Å; K23-D31 VanDerWaalsContact CB-OD1 3.28Å; K23-D31 WeakPolarHBondContact CB-OD1 3.46Å; K23-D31 IonicContact NZ-OD2 3.62Å; K23-D31 PolarHBondContact NZ-OD2 3.37Å
32L98.2Very high97.4Very high1 Ų143.5 Ų43.51%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-118145.4176.5-64.1-177.5000111.5A11 F22 Y30 C36 M52A11-L32 HydrophobicContact CB-CD2 3.67Å; F22-L32 HydrophobicContact CB-CB 4.31Å; F22-L32 PolarHBondContact N-O 3.28Å; F22-L32 PolarHBondContact O-N 2.76Å; Y30-L32 HydrophobicContact CD1-CG 4.49Å; Y30-L32 HydrophobicContact CE1-CD1 4.13Å; Y30-L32 HydrophobicContact CE1-CD2 3.8Å; Y30-L32 HydrophobicContact CE1-CG 3.76Å; L32-C36 HydrophobicContact CD2-CB 4.13Å; L32-M52 HydrophobicContact CB-CE 4.4Å; L32-M52 HydrophobicContact CD1-CE 4.16Å; L32-M52 HydrophobicContact CG-CE 4.21Å
33C98Very high97.2Very high8 Ų845.7 Ų45.75%0.05426%0.256CS..EExtended strand (participates in β ladder)trans-84.1155.5161.672.10000109.8C9 F17 S35 C36 Y37C9-C33 HydrophobicContact CB-CB 4.02Å; C9-C33 PolarHBondContact SG-N 3.5Å; F17-C33 HydrophobicContact CD1-CB 3.97Å; F17-C33 HydrophobicContact CD2-CB 3.53Å; F17-C33 HydrophobicContact CE1-CB 3.96Å; F17-C33 HydrophobicContact CE2-CB 3.53Å; F17-C33 HydrophobicContact CG-CB 3.76Å; F17-C33 HydrophobicContact CZ-CB 3.74Å; C33-S35 VanDerWaalsContact C-N 3.32Å; C33-S35 PolarHBondContact O-N 2.92Å; C33-S35 VanDerWaalsContact O-N 3.13Å; C33-C36 PolarHBondContact O-N 2.65Å; C33-Y37 PolarHBondContact O-N 2.85Å; C33-Y37 VanDerWaalsContact O-N 3.13Å
34A96.9Very high97Very high20 Ų2052.9 Ų52.917%0.16530%0.3CS..Hα-helixtrans-36.3-57.2-178.800000114.3R20 F22 C36 Y37 E38R20-A34 HydrophobicContact CB-CB 4.23Å; R20-A34 PolarHBondContact O-N 3.47Å; R20-A34 VanDerWaalsContact O-N 3.14Å; F22-A34 HydrophobicContact CE2-CB 4.35Å; A34-C36 VanDerWaalsContact C-N 3.28Å; A34-C36 PolarHBondContact O-N 3.21Å; A34-Y37 PolarHBondContact O-N 3.01Å; A34-Y37 VanDerWaalsContact O-N 3.12Å; A34-E38 VanDerWaalsContact C-CD 3.47Å; A34-E38 WeakPolarHBondContact CB-OE1 3.4Å; A34-E38 WeakPolarHBondContact O-CB 3.37Å; A34-E38 VanDerWaalsContact O-CG 3.25Å; A34-E38 WeakPolarHBondContact O-CG 3.47Å; A34-E38 PolarHBondContact O-N 2.89Å
35S97.9Very high96.7Very high80 Ų8062.9 Ų62.956%0.55934%0.338SS*.Hα-helixtrans-61.8-29.2-176.6-46.80000114.7C33 S39C33-S35 VanDerWaalsContact C-N 3.32Å; C33-S35 PolarHBondContact O-N 2.92Å; C33-S35 VanDerWaalsContact O-N 3.13Å; S35-S39 VanDerWaalsContact O-CB 3.24Å; S35-S39 WeakPolarHBondContact O-CB 3.44Å; S35-S39 PolarHBondContact O-N 3.47Å; S35-S39 PolarHBondContact O-OG 2.99Å
36C98.3Very high96.7Very high15 Ų1563 Ų6310%0.10134%0.338CS..Hα-helixtrans-84.7-29.5177.5-67.50000112.6A11 L32 C33 A34 S39 G40 A41A11-C36 HydrophobicContact CB-CB 3.93Å; L32-C36 HydrophobicContact CD2-CB 4.13Å; C33-C36 PolarHBondContact O-N 2.65Å; A34-C36 VanDerWaalsContact C-N 3.28Å; A34-C36 PolarHBondContact O-N 3.21Å; C36-S39 PolarHBondContact O-OG 3.21Å; C36-G40 PolarHBondContact O-N 3.49Å; C36-A41 HydrophobicContact CB-CB 4.05Å; C36-A41 WeakPolarHBondContact O-CB 3.48Å; C36-A41 PolarHBondContact O-N 3.2Å
37Y97.9Very high96.7Very high87 Ų8762.3 Ų62.334%0.34134%0.337SS..Hα-helixtrans-68.8-47.5169.6173.8-103.1000110.3F22 C33 A34 S39 G40 M52F22-Y37 HydrophobicContact CB-CD2 4.16Å; F22-Y37 HydrophobicContact CB-CG 4.13Å; F22-Y37 AromaticContact CD1-CD1 3.73Å; F22-Y37 HydrophobicContact CD1-CD1 3.73Å; F22-Y37 HydrophobicContact CD1-CD2 4.04Å; F22-Y37 AromaticContact CD1-CE1 3.84Å; F22-Y37 HydrophobicContact CD1-CE1 3.84Å; F22-Y37 HydrophobicContact CD1-CE2 4.14Å; F22-Y37 AromaticContact CD1-CG 3.83Å; F22-Y37 HydrophobicContact CD1-CG 3.83Å; F22-Y37 AromaticContact CD2-CD1 3.86Å; F22-Y37 HydrophobicContact CD2-CD1 3.86Å; F22-Y37 AromaticContact CD2-CG 3.8Å; F22-Y37 HydrophobicContact CD2-CG 3.8Å; F22-Y37 AromaticContact CE1-CD1 3.54Å; F22-Y37 HydrophobicContact CE1-CD1 3.54Å; F22-Y37 AromaticContact CE1-CE1 3.46Å; F22-Y37 HydrophobicContact CE1-CE1 3.46Å; F22-Y37 VanDerWaalsContact CE1-CE1 3.46Å; F22-Y37 HydrophobicContact CE1-CG 4.14Å; F22-Y37 AromaticContact CE1-CZ 4Å; F22-Y37 AromaticContact CE2-CD1 3.67Å; F22-Y37 HydrophobicContact CE2-CD1 3.67Å; F22-Y37 HydrophobicContact CE2-CE1 4.39Å; F22-Y37 HydrophobicContact CE2-CG 4.1Å; F22-Y37 AromaticContact CG-CD1 3.88Å; F22-Y37 HydrophobicContact CG-CD1 3.88Å; F22-Y37 HydrophobicContact CG-CD2 4.03Å; F22-Y37 HydrophobicContact CG-CE1 4.45Å; F22-Y37 AromaticContact CG-CG 3.64Å; F22-Y37 HydrophobicContact CG-CG 3.64Å; F22-Y37 AromaticContact CZ-CD1 3.51Å; F22-Y37 HydrophobicContact CZ-CD1 3.51Å; F22-Y37 AromaticContact CZ-CE1 3.77Å; F22-Y37 HydrophobicContact CZ-CE1 3.77Å; F22-Y37 HydrophobicContact CZ-CG 4.27Å; C33-Y37 PolarHBondContact O-N 2.85Å; C33-Y37 VanDerWaalsContact O-N 3.13Å; A34-Y37 PolarHBondContact O-N 3.01Å; A34-Y37 VanDerWaalsContact O-N 3.12Å; Y37-S39 VanDerWaalsContact C-N 3.29Å; Y37-S39 PolarHBondContact O-N 3.43Å; Y37-G40 PolarHBondContact O-N 3.38Å; Y37-M52 HydrophobicContact CD2-CB 4.38Å; Y37-M52 HydrophobicContact CD2-CG 3.99Å; Y37-M52 HydrophobicContact CE2-CB 3.89Å; Y37-M52 HydrophobicContact CE2-CG 3.66Å
38E97.6Very high96.7Very high107 Ų10766.1 Ų66.150%0.536%0.36SS..Hα-helixtrans-62.5-32.1176.8-70.4149.9-16400112.7R20 A34 G40R20-E38 IonicContact CZ-OE1 3.71Å; R20-E38 IonicContact NE-OE1 3.18Å; R20-E38 IonicContact NH2-OE1 2.87Å; R20-E38 PolarHBondContact NH2-OE1 2.74Å; A34-E38 VanDerWaalsContact C-CD 3.47Å; A34-E38 WeakPolarHBondContact CB-OE1 3.4Å; A34-E38 WeakPolarHBondContact O-CB 3.37Å; A34-E38 VanDerWaalsContact O-CG 3.25Å; A34-E38 WeakPolarHBondContact O-CG 3.47Å; A34-E38 PolarHBondContact O-N 2.89Å; E38-G40 VanDerWaalsContact C-N 3.29Å; E38-G40 PolarHBondContact O-N 3.41Å
39S97.4Very high96.7Very high87 Ų8766.5 Ų66.561%0.60837%0.368SS*.THydrogen-bonded Turntrans-84.26.4173.480.50000114.5S35 C36 Y37 A41S35-S39 VanDerWaalsContact O-CB 3.24Å; S35-S39 WeakPolarHBondContact O-CB 3.44Å; S35-S39 PolarHBondContact O-N 3.47Å; S35-S39 PolarHBondContact O-OG 2.99Å; C36-S39 PolarHBondContact O-OG 3.21Å; Y37-S39 VanDerWaalsContact C-N 3.29Å; Y37-S39 PolarHBondContact O-N 3.43Å; S39-A41 PolarHBondContact O-N 3.14Å
40G97Very high96.8Very high31 Ų3164.2 Ų64.232%0.3235%0.354SS..THydrogen-bonded Turntrans61.640.1179.700000115C36 Y37 E38 T42 T48C36-G40 PolarHBondContact O-N 3.49Å; Y37-G40 PolarHBondContact O-N 3.38Å; E38-G40 VanDerWaalsContact C-N 3.29Å; E38-G40 PolarHBondContact O-N 3.41Å; G40-T42 PolarHBondContact O-N 3.34Å; G40-T42 VanDerWaalsContact O-N 3.09Å; G40-T48 VanDerWaalsContact CA-CG2 3.47Å; G40-T48 WeakPolarHBondContact O-CG2 3.17Å
41A96.6Very high96.8Very high19 Ų1964.5 Ų64.516%0.15736%0.358CS..  trans-70.9103.8-171.600000114.1A11 Y30 C36 S39 H46A11-A41 HydrophobicContact CB-CB 3.57Å; Y30-A41 PolarHBondContact OH-O 2.94Å; C36-A41 HydrophobicContact CB-CB 4.05Å; C36-A41 WeakPolarHBondContact O-CB 3.48Å; C36-A41 PolarHBondContact O-N 3.2Å; S39-A41 PolarHBondContact O-N 3.14Å; A41-H46 PolarHBondContact O-CD2 2.94Å
42T96.8Very high96.8Very high90 Ų9065 Ų6555%0.55236%0.36SS*.  trans-88.2153.2176.459.90000113.6G40 H46 T48G40-T42 PolarHBondContact O-N 3.34Å; G40-T42 VanDerWaalsContact O-N 3.09Å; T42-H46 WeakPolarHBondContact CA-O 3.49Å; T42-T48 HydrophobicContact CG2-CG2 4.09Å
43T93.8Very high96.7Very high59 Ų5965.2 Ų65.236%0.36236%0.361SS..BIsolated β-bridgetrans-135.3179.5169.163.40000111.2Y30 R45 H46Y30-T43 HydrophobicContact CE2-CG2 4.02Å; Y30-T43 WeakPolarHBondContact CE2-OG1 3.36Å; Y30-T43 WeakPolarHBondContact OH-CG2 3.27Å; T43-R45 PolarHBondContact O-N 3.37Å; T43-H46 PolarHBondContact N-O 3.44Å; T43-H46 PolarHBondContact O-N 2.84Å; T43-H46 VanDerWaalsContact O-O 3.09Å
44T93.3Very high96.6Very high150 Ų15066.7 Ų66.792%0.9237%0.371SS*.THydrogen-bonded Turntrans-61.2-9.6-179.955.20000115.2
45R92.6Very high96.5Very high210 Ų21066.5 Ų66.579%0.79237%0.367SS*.THydrogen-bonded Turntrans-126.7-1.9178.4-68.1-177.4175-117.4-0114.1C27 T43 H50C27-R45 PolarHBondContact SG-O 3.07Å; T43-R45 PolarHBondContact O-N 3.37Å; R45-H50 PolarHBondContact O-CE1 3.46Å
46H96.9Very high96.2Very high4 Ų464.8 Ų64.82%0.01935%0.352CS..BIsolated β-bridgetrans-139.7124.2-172.917372.3000111.2Y30 A41 T42 T43 H50 M52Y30-H46 HydrophobicContact CD1-CB 4.2Å; Y30-H46 AromaticContact CD1-CG 3.85Å; Y30-H46 AromaticContact CD1-ND1 3.97Å; Y30-H46 HydrophobicContact CD2-CB 4.41Å; Y30-H46 HydrophobicContact CE1-CB 3.76Å; Y30-H46 AromaticContact CE1-CD2 3.25Å; Y30-H46 WeakPolarHBondContact CE1-CD2 3.42Å; Y30-H46 AromaticContact CE1-CE1 3.99Å; Y30-H46 AromaticContact CE1-CG 3.28Å; Y30-H46 AromaticContact CE1-ND1 3.75Å; Y30-H46 AromaticContact CE1-NE2 3.7Å; Y30-H46 HydrophobicContact CE2-CB 3.99Å; Y30-H46 HydrophobicContact CG-CB 4.49Å; Y30-H46 AromaticContact CZ-CD2 3.52Å; Y30-H46 AromaticContact CZ-CG 3.6Å; Y30-H46 PolarHBondContact OH-CD2 3.07Å; Y30-H46 VanDerWaalsContact OH-CD2 3.3Å; A41-H46 PolarHBondContact O-CD2 2.94Å; T42-H46 WeakPolarHBondContact CA-O 3.49Å; T43-H46 PolarHBondContact N-O 3.44Å; T43-H46 PolarHBondContact O-N 2.84Å; T43-H46 VanDerWaalsContact O-O 3.09Å; H46-H50 AromaticContact ND1-ND1 3.87Å; H46-M52 PolarHBondContact CE1-SD 3.26Å
47T97.4Very high95.8Very high54 Ų5464.3 Ų64.333%0.33135%0.349SS..  trans-108.9162.3169.672.10000110.6E49 H50T47-E49 PolarHBondContact O-N 3.48Å; T47-E49 VanDerWaalsContact O-N 3.11Å; T47-E49 PolarHBondContact OG1-N 3.38Å; T47-H50 WeakPolarHBondContact O-CB 3.5Å; T47-H50 PolarHBondContact O-N 3.33Å; T47-H50 VanDerWaalsContact O-N 3.11Å; T47-H50 PolarHBondContact OG1-CD2 2.71Å
48T96.7Very high95.3Very high93 Ų9366.9 Ų66.957%0.57136%0.358SS*.THydrogen-bonded Turntrans-64.5-8.5173.347.40000114.1G40 T42G40-T48 VanDerWaalsContact CA-CG2 3.47Å; G40-T48 WeakPolarHBondContact O-CG2 3.17Å; T42-T48 HydrophobicContact CG2-CG2 4.09Å
49E96.6Very high94.8Very high171 Ų17164.9 Ų64.980%0.79935%0.353SS*.THydrogen-bonded Turntrans-85.1-15.5175.7-57.2173.2155.700112.1T47T47-E49 PolarHBondContact O-N 3.48Å; T47-E49 VanDerWaalsContact O-N 3.11Å; T47-E49 PolarHBondContact OG1-N 3.38Å
50H97.4Very high94.4Very high43 Ų4362.4 Ų62.420%0.19933%0.332CS..SBendtrans-71.1128.4178-69.9-158.6000110.2C24 I26 C27 R45 H46 T47 M52C24-H50 VanDerWaalsContact SG-CB 3.59Å; I26-H50 HydrophobicContact CB-CB 4.48Å; I26-H50 HydrophobicContact CG1-CB 4.23Å; C27-H50 VanDerWaalsContact SG-CE1 3.54Å; C27-H50 PolarHBondContact SG-ND1 2.85Å; R45-H50 PolarHBondContact O-CE1 3.46Å; H46-H50 AromaticContact ND1-ND1 3.87Å; T47-H50 WeakPolarHBondContact O-CB 3.5Å; T47-H50 PolarHBondContact O-N 3.33Å; T47-H50 VanDerWaalsContact O-N 3.11Å; T47-H50 PolarHBondContact OG1-CD2 2.71Å; H50-M52 WeakPolarHBondContact O-CG 3.42Å
51P97.6Very high93.9Very high22 Ų2263 Ų6314%0.14333%0.325CS..  trans-62.1138.7178.121.5-30.8000112.4L25 I26 T79 P81L25-P51 HydrophobicContact CB-CG 4.46Å; L25-P51 HydrophobicContact CD1-CB 4.49Å; L25-P51 PolarHBondContact N-O 3.48Å; I26-P51 HydrophobicContact CD1-CG 4.2Å; I26-P51 HydrophobicContact CG1-CG 4.16Å; P51-T79 HydrophobicContact CB-CG2 4.34Å; P51-P81 VanDerWaalsContact CG-O 3.25Å; P51-P81 WeakPolarHBondContact CG-O 3.24Å
52M97.6Very high93.3Very high14 Ų1465.2 Ų65.27%0.06933%0.334CS..EExtended strand (participates in β ladder)trans-123.6127.4-174.7-59.2-65.1-7000110.6F22 K23 C24 L32 Y37 H46 H50 T79F22-M52 HydrophobicContact CB-CB 4.43Å; F22-M52 HydrophobicContact CB-CE 3.81Å; F22-M52 HydrophobicContact CD1-CB 4.42Å; F22-M52 WeakPolarHBondContact O-CE 3.38Å; K23-M52 CarbonylContact O-C 3.53Å; K23-M52 VanDerWaalsContact O-CA 3.28Å; K23-M52 WeakPolarHBondContact O-CA 3.44Å; C24-M52 WeakPolarHBondContact CA-SD 3.26Å; C24-M52 HydrophobicContact CB-CE 4.09Å; C24-M52 HydrophobicContact CB-SD 3.52Å; C24-M52 VanDerWaalsContact CB-SD 3.52Å; L32-M52 HydrophobicContact CB-CE 4.4Å; L32-M52 HydrophobicContact CD1-CE 4.16Å; L32-M52 HydrophobicContact CG-CE 4.21Å; Y37-M52 HydrophobicContact CD2-CB 4.38Å; Y37-M52 HydrophobicContact CD2-CG 3.99Å; Y37-M52 HydrophobicContact CE2-CB 3.89Å; Y37-M52 HydrophobicContact CE2-CG 3.66Å; H46-M52 PolarHBondContact CE1-SD 3.26Å; H50-M52 WeakPolarHBondContact O-CG 3.42Å; M52-T79 PolarHBondContact O-OG1 2.89Å
53Q97.3Very high92.8Very high5 Ų567.4 Ų67.42%0.02334%0.342CS..EExtended strand (participates in β ladder)trans-85.3123.8170.2-179.457.344.300110.5F22 K23 L25 I55 S77 T79 P111F22-Q53 WeakPolarHBondContact CA-O 3.3Å; K23-Q53 PolarHBondContact N-O 2.91Å; K23-Q53 PolarHBondContact O-N 3.48Å; L25-Q53 HydrophobicContact CD1-CB 4.31Å; L25-Q53 HydrophobicContact CD2-CB 3.86Å; L25-Q53 HydrophobicContact CG-CB 4.27Å; Q53-I55 HydrophobicContact CG-CG1 4.22Å; Q53-S77 PolarHBondContact NE2-O 2.82Å; Q53-T79 PolarHBondContact OE1-OG1 3.15Å; Q53-P111 HydrophobicContact CB-CB 4.24Å; Q53-P111 HydrophobicContact CG-CB 4.12Å
54C95.8Very high92.1Very high39 Ų3972.7 Ų72.726%0.26436%0.357SS..EExtended strand (participates in β ladder)trans-75.1127.7168.6-177.50000110.3R21 F22R21-C54 CarbonylContact O-C 3.54Å; R21-C54 WeakPolarHBondContact O-CA 3.34Å; F22-C54 HydrophobicContact CD1-CB 4.1Å; F22-C54 HydrophobicContact CE1-CB 3.79Å; F22-C54 HydrophobicContact CZ-CB 4.44Å
55I93.9Very high91.3Very high16 Ų1670.1 Ų70.18%0.08233%0.331CS..EExtended strand (participates in β ladder)trans-122.3118.7177.6-55.8167.1000107.5H4 R21 K23 Q53 A114H4-I55 PolarHBondContact CE1-O 2.83Å; H4-I55 PolarHBondContact NE2-O 3.11Å; R21-I55 HydrophobicContact CB-CB 4.22Å; R21-I55 HydrophobicContact CG-CB 4.35Å; R21-I55 HydrophobicContact CG-CD1 4.43Å; R21-I55 PolarHBondContact N-O 3.28Å; R21-I55 PolarHBondContact O-N 3.45Å; K23-I55 HydrophobicContact CB-CD1 3.85Å; Q53-I55 HydrophobicContact CG-CG1 4.22Å; I55-A114 HydrophobicContact CD1-CB 4.46Å; I55-A114 WeakPolarHBondContact CD1-O 3.25Å
56L92.1Very high90.1Very high44 Ų4463 Ų6323%0.2332%0.322CS..  trans-86.7152.1178.2-59.1-176000110.6R20 D60 Y64 Y65R20-L56 HydrophobicContact CG-CD2 3.95Å; L56-D60 HydrophobicContact CB-CB 4.33Å; L56-Y64 HydrophobicContact CD1-CD2 4.4Å; L56-Y65 HydrophobicContact CD1-CE2 4.11Å
57T90.6Very high88.6Confident6 Ų666.3 Ų66.34%0.03736%0.358CS..  trans-71.4158162.681.60000108.9H4 V59 D60 Y61H4-T57 WeakPolarHBondContact NE2-CG2 3.45Å; T57-V59 PolarHBondContact O-N 3.38Å; T57-D60 WeakPolarHBondContact CB-OD2 3.38Å; T57-D60 WeakPolarHBondContact CG2-OD2 3.47Å; T57-D60 PolarHBondContact N-OD2 3.34Å; T57-D60 PolarHBondContact O-N 3.34Å; T57-D60 PolarHBondContact OG1-N 2.9Å; T57-D60 PolarHBondContact OG1-OD2 2.92Å; T57-Y61 WeakPolarHBondContact O-CB 3.41Å; T57-Y61 PolarHBondContact O-N 3.25Å
58R86.7Confident86.7Confident141 Ų14169.7 Ų69.753%0.53237%0.374SS..Hα-helixtrans-56.2-36178.9-178.762.4-159.9-1598.3112.5M1 D62M1-R58 PolarHBondContact O-N 2.91Å; R58-D62 WeakPolarHBondContact CG-OD2 3.43Å; R58-D62 IonicContact CZ-OD1 2.7Å; R58-D62 IonicContact CZ-OD2 3.11Å; R58-D62 VanDerWaalsContact NE-CG 3.26Å; R58-D62 IonicContact NE-OD1 3.34Å; R58-D62 PolarHBondContact NE-OD1 3.28Å; R58-D62 IonicContact NE-OD2 2.97Å; R58-D62 PolarHBondContact NE-OD2 3.43Å; R58-D62 IonicContact NH2-OD1 3.43Å; R58-D62 PolarHBondContact NH2-OD1 3.35Å; R58-D62 IonicContact NH2-OD2 2.66Å; R58-D62 WeakPolarHBondContact O-CB 3.31Å; R58-D62 PolarHBondContact O-N 2.91Å; R58-D62 VanDerWaalsContact O-OD2 3.05Å
59V87.6Confident84.6Confident65 Ų6572.6 Ų72.639%0.39439%0.391SS..Hα-helixtrans-69.5-40.7177.4175.80000111.7M1 T57 D62 L63M1-V59 PolarHBondContact O-N 2.69Å; T57-V59 PolarHBondContact O-N 3.38Å; V59-D62 PolarHBondContact O-N 2.96Å; V59-L63 HydrophobicContact CG1-CD1 4.12Å; V59-L63 VanDerWaalsContact O-CG 3.28Å; V59-L63 WeakPolarHBondContact O-CG 3.32Å; V59-L63 PolarHBondContact O-N 3.45Å
60D88.3Confident82.3Confident34 Ų3473 Ų7318%0.18239%0.391CS..Hα-helixtrans-66.6-41.7177.3-50.2-54.6000110.4G19 L56 T57 L63 Y64G19-D60 WeakPolarHBondContact CA-OD2 3.21Å; G19-D60 PolarHBondContact N-OD2 2.93Å; L56-D60 HydrophobicContact CB-CB 4.33Å; T57-D60 WeakPolarHBondContact CB-OD2 3.38Å; T57-D60 WeakPolarHBondContact CG2-OD2 3.47Å; T57-D60 PolarHBondContact N-OD2 3.34Å; T57-D60 PolarHBondContact O-N 3.34Å; T57-D60 PolarHBondContact OG1-N 2.9Å; T57-D60 PolarHBondContact OG1-OD2 2.92Å; D60-L63 PolarHBondContact O-N 2.92Å; D60-Y64 VanDerWaalsContact O-CD2 3.28Å; D60-Y64 WeakPolarHBondContact O-CD2 3.13Å; D60-Y64 PolarHBondContact O-N 3.07Å
61Y86.2Confident80.3Confident43 Ų4375.2 Ų75.217%0.16941%0.411CS..Hα-helixtrans-58.2-48173.4178.2-81.4000112.2T57 L63 Y64 Y65 P75 Q76T57-Y61 WeakPolarHBondContact O-CB 3.41Å; T57-Y61 PolarHBondContact O-N 3.25Å; Y61-L63 PolarHBondContact O-N 3.36Å; Y61-Y64 PolarHBondContact O-N 3.41Å; Y61-Y65 AromaticContact CD2-CD2 3.84Å; Y61-Y65 HydrophobicContact CD2-CD2 3.84Å; Y61-Y65 HydrophobicContact CD2-CE2 4.2Å; Y61-Y65 AromaticContact CE2-CD2 3.99Å; Y61-Y65 HydrophobicContact CE2-CD2 3.99Å; Y61-Y65 HydrophobicContact CE2-CE2 4.42Å; Y61-Y65 HydrophobicContact CG-CD2 4.19Å; Y61-Y65 PolarHBondContact O-N 3.23Å; Y61-P75 HydrophobicContact CE2-CG 3.83Å; Y61-P75 WeakPolarHBondContact OH-CD 3.27Å; Y61-P75 WeakPolarHBondContact OH-CG 3.43Å; Y61-Q76 HydrophobicContact CE2-CG 4.32Å
62D85.1Confident78.1Confident66 Ų6680.5 Ų80.535%0.35344%0.443SS..Hα-helixtrans-65-26178.1-71.7-34.2000112.3R58 V59 G66R58-D62 WeakPolarHBondContact CG-OD2 3.43Å; R58-D62 IonicContact CZ-OD1 2.7Å; R58-D62 IonicContact CZ-OD2 3.11Å; R58-D62 VanDerWaalsContact NE-CG 3.26Å; R58-D62 IonicContact NE-OD1 3.34Å; R58-D62 PolarHBondContact NE-OD1 3.28Å; R58-D62 IonicContact NE-OD2 2.97Å; R58-D62 PolarHBondContact NE-OD2 3.43Å; R58-D62 IonicContact NH2-OD1 3.43Å; R58-D62 PolarHBondContact NH2-OD1 3.35Å; R58-D62 IonicContact NH2-OD2 2.66Å; R58-D62 WeakPolarHBondContact O-CB 3.31Å; R58-D62 PolarHBondContact O-N 2.91Å; R58-D62 VanDerWaalsContact O-OD2 3.05Å; V59-D62 PolarHBondContact O-N 2.96Å; D62-G66 VanDerWaalsContact O-CA 3.22Å; D62-G66 WeakPolarHBondContact O-CA 3.48Å; D62-G66 PolarHBondContact O-N 3.41Å
63L85.3Confident76.1Confident137 Ų13786.4 Ų86.472%0.71747%0.47SS*.Hα-helixtrans-79.4-38.5174.1-73.5168.5000113.3V59 D60 Y61V59-L63 HydrophobicContact CG1-CD1 4.12Å; V59-L63 VanDerWaalsContact O-CG 3.28Å; V59-L63 WeakPolarHBondContact O-CG 3.32Å; V59-L63 PolarHBondContact O-N 3.45Å; D60-L63 PolarHBondContact O-N 2.92Å; Y61-L63 PolarHBondContact O-N 3.36Å
64Y78.4Confident74.3Confident169 Ų16990.3 Ų90.366%0.66349%0.489SS*.Hα-helixtrans-77.9-29.9179-83.5-73.5000113.5L56 D60 Y61L56-Y64 HydrophobicContact CD1-CD2 4.4Å; D60-Y64 VanDerWaalsContact O-CD2 3.28Å; D60-Y64 WeakPolarHBondContact O-CD2 3.13Å; D60-Y64 PolarHBondContact O-N 3.07Å; Y61-Y64 PolarHBondContact O-N 3.41Å
65Y77.1Confident72.6Confident97 Ų9790.2 Ų90.238%0.3849%0.487SS..Hα-helixtrans-125.6-9.9-171.2-56.6-59.3000115.2L56 Y61 G67 P75L56-Y65 HydrophobicContact CD1-CE2 4.11Å; Y61-Y65 AromaticContact CD2-CD2 3.84Å; Y61-Y65 HydrophobicContact CD2-CD2 3.84Å; Y61-Y65 HydrophobicContact CD2-CE2 4.2Å; Y61-Y65 AromaticContact CE2-CD2 3.99Å; Y61-Y65 HydrophobicContact CE2-CD2 3.99Å; Y61-Y65 HydrophobicContact CE2-CE2 4.42Å; Y61-Y65 HydrophobicContact CG-CD2 4.19Å; Y61-Y65 PolarHBondContact O-N 3.23Å; Y65-G67 PolarHBondContact O-N 2.94Å; Y65-P75 HydrophobicContact CD1-CB 3.76Å; Y65-P75 HydrophobicContact CD1-CG 4.36Å; Y65-P75 HydrophobicContact CD2-CB 3.98Å; Y65-P75 HydrophobicContact CD2-CG 3.91Å; Y65-P75 HydrophobicContact CE1-CB 3.91Å; Y65-P75 HydrophobicContact CE2-CB 4.11Å; Y65-P75 HydrophobicContact CE2-CG 4.38Å; Y65-P75 HydrophobicContact CG-CB 3.79Å; Y65-P75 HydrophobicContact CG-CG 3.88Å
66G68.1Low71.6Confident59 Ų5992.3 Ų92.361%0.60850%0.497SS*.THydrogen-bonded Turntrans-79.38.4-176.900000115.9D62D62-G66 VanDerWaalsContact O-CA 3.22Å; D62-G66 WeakPolarHBondContact O-CA 3.48Å; D62-G66 PolarHBondContact O-N 3.41Å
67G64.4Low71.5Confident74 Ų7493 Ų9376%0.76351%0.505SS*.THydrogen-bonded Turntrans-82.5-34.6-179.800000114.4Y65Y65-G67 PolarHBondContact O-N 2.94Å
68D58.3Low71.8Confident125 Ų12593 Ų9367%0.66851%0.505SS*.SBendtrans-109.7151.8-173.6-72.3-53.7000112.9F70D68-F70 HydrophobicContact CB-CD2 3.92Å; D68-F70 PolarHBondContact O-N 2.91Å
69T53.3Low72.3Confident154 Ų15486.7 Ų86.795%0.94548%0.482SS*.  trans-80.836.6174.462.20000113
70F47.8Very low72.7Confident180 Ų18083.6 Ų83.679%0.78946%0.463SS*.  trans-71157167.5-89.5-83.4000110.5D68 V72D68-F70 HydrophobicContact CB-CD2 3.92Å; D68-F70 PolarHBondContact O-N 2.91Å; F70-V72 PolarHBondContact O-N 2.84Å
71S54.9Low73.1Confident90 Ų9082.1 Ų82.163%0.62946%0.455SS*.  trans-61137.9-172.6-168.80000111.8E73S71-E73 PolarHBondContact O-N 3.29Å
72V52.5Low73.6Confident133 Ų13381.8 Ų81.881%0.80645%0.454SS*.THydrogen-bonded Turntrans-57.3-18.1-178.51780000113F70F70-V72 PolarHBondContact O-N 2.84Å
73E55.5Low74.2Confident137 Ų13781.1 Ų81.164%0.6445%0.454SS*.THydrogen-bonded Turntrans-60-60-178.2-71.5-76.8111.100115.3S71S71-E73 PolarHBondContact O-N 3.29Å
74Q59.3Low74.7Confident88 Ų8876 Ų7641%0.41144%0.435SS..  trans-142.388-155.3-75.2174.240.800116.1
75P60.2Low75.5Confident36 Ų3672.6 Ų72.623%0.23442%0.423CS..  trans-123.421.6150.139.7-29.4000112.1Y61 Y65 S77Y61-P75 HydrophobicContact CE2-CG 3.83Å; Y61-P75 WeakPolarHBondContact OH-CD 3.27Å; Y61-P75 WeakPolarHBondContact OH-CG 3.43Å; Y65-P75 HydrophobicContact CD1-CB 3.76Å; Y65-P75 HydrophobicContact CD1-CG 4.36Å; Y65-P75 HydrophobicContact CD2-CB 3.98Å; Y65-P75 HydrophobicContact CD2-CG 3.91Å; Y65-P75 HydrophobicContact CE1-CB 3.91Å; Y65-P75 HydrophobicContact CE2-CB 4.11Å; Y65-P75 HydrophobicContact CE2-CG 4.38Å; Y65-P75 HydrophobicContact CG-CB 3.79Å; Y65-P75 HydrophobicContact CG-CG 3.88Å; P75-S77 PolarHBondContact O-N 3.23Å
76Q72.9Confident76.4Confident60 Ų6074.2 Ų74.228%0.2844%0.436SS..  trans-80.5102.9171.2-70.3-174.383.500109.9Y61 F78Y61-Q76 HydrophobicContact CE2-CG 4.32Å; Q76-F78 HydrophobicContact CB-CE1 4.11Å; Q76-F78 HydrophobicContact CB-CE2 3.93Å; Q76-F78 HydrophobicContact CB-CZ 3.59Å; Q76-F78 HydrophobicContact CG-CZ 4.44Å; Q76-F78 PolarHBondContact O-N 3.31Å
77S89.6Confident77.5Confident58 Ų5874 Ų7441%0.40643%0.433SS..  trans-81.5104.9173.855.70000110.6Q53 P75Q53-S77 PolarHBondContact NE2-O 2.82Å; P75-S77 PolarHBondContact O-N 3.23Å
78F95.4Very high78.9Confident7 Ų772.2 Ų72.23%0.03141%0.405CS..EExtended strand (participates in β ladder)trans-84.8155.9176.1-57.9-65.5000112.5Q76 G87 F88 E90 L93 P111 I112 A115Q76-F78 HydrophobicContact CB-CE1 4.11Å; Q76-F78 HydrophobicContact CB-CE2 3.93Å; Q76-F78 HydrophobicContact CB-CZ 3.59Å; Q76-F78 HydrophobicContact CG-CZ 4.44Å; Q76-F78 PolarHBondContact O-N 3.31Å; F78-G87 PolarHBondContact O-N 3.15Å; F78-G87 VanDerWaalsContact O-N 3.13Å; F78-F88 WeakPolarHBondContact CD2-O 3.18Å; F78-F88 PolarHBondContact N-O 2.68Å; F78-F88 PolarHBondContact O-N 3.3Å; F78-E90 HydrophobicContact CE2-CB 4.13Å; F78-L93 HydrophobicContact CB-CD2 3.94Å; F78-P111 HydrophobicContact CD1-CB 4.32Å; F78-I112 HydrophobicContact CD1-CG1 4.04Å; F78-I112 HydrophobicContact CD2-CD1 4.39Å; F78-I112 HydrophobicContact CD2-CG1 4.19Å; F78-I112 HydrophobicContact CE1-CB 4.17Å; F78-I112 HydrophobicContact CE1-CG1 4.03Å; F78-I112 HydrophobicContact CE1-CG2 4.09Å; F78-I112 HydrophobicContact CE2-CD1 4.34Å; F78-I112 HydrophobicContact CE2-CG1 4.18Å; F78-I112 HydrophobicContact CE2-CG2 4.33Å; F78-I112 HydrophobicContact CG-CG1 4.13Å; F78-I112 HydrophobicContact CZ-CB 4.26Å; F78-I112 HydrophobicContact CZ-CG1 4.1Å; F78-I112 HydrophobicContact CZ-CG2 3.76Å; F78-A115 HydrophobicContact CE1-CB 4.01Å
79T97.4Very high80.5Confident8 Ų868.7 Ų68.75%0.04939%0.388CS..EExtended strand (participates in β ladder)trans-113.4130-179.7-49.60000109.2L25 P51 M52 Q53 K85 M86L25-T79 WeakPolarHBondContact CD1-O 3.31Å; P51-T79 HydrophobicContact CB-CG2 4.34Å; M52-T79 PolarHBondContact O-OG1 2.89Å; Q53-T79 PolarHBondContact OE1-OG1 3.15Å; T79-K85 CarbonylContact C-O 3.39Å; T79-K85 WeakPolarHBondContact CA-O 3.49Å; T79-M86 HydrophobicContact CG2-CB 4.34Å
80C96.9Very high82.3Confident0 Ų063.5 Ų63.50%035%0.353CS..  trans-69.2123.7177-179.30000110.3Y82 C83 G84 K85 F88 L93 H96C80-Y82 PolarHBondContact O-N 3.26Å; C80-C83 VanDerWaalsContact SG-SG 3.64Å; C80-G84 WeakPolarHBondContact O-CA 3.26Å; C80-G84 PolarHBondContact O-N 3.41Å; C80-K85 PolarHBondContact N-O 3.14Å; C80-F88 HydrophobicContact CB-CD2 4.43Å; C80-F88 HydrophobicContact CB-CE2 3.93Å; C80-L93 HydrophobicContact CB-CD1 4Å; C80-H96 PolarHBondContact SG-NE2 3.11Å
81P97.1Very high84.4Confident3 Ų357.4 Ų57.42%0.01933%0.33CS..THydrogen-bonded Turntrans-73.9-11.8-177.633.5-38.4000113.3L25 P51 V108 F128L25-P81 HydrophobicContact CB-CB 3.84Å; L25-P81 HydrophobicContact CD1-CB 4.03Å; P51-P81 VanDerWaalsContact CG-O 3.25Å; P51-P81 WeakPolarHBondContact CG-O 3.24Å; P81-V108 HydrophobicContact CB-CB 3.76Å; P81-V108 HydrophobicContact CB-CG1 3.78Å; P81-V108 HydrophobicContact CB-CG2 4.28Å; P81-V108 HydrophobicContact CG-CB 4.01Å; P81-V108 HydrophobicContact CG-CG1 4.2Å; P81-V108 HydrophobicContact CG-CG2 3.94Å; P81-F128 VanDerWaalsContact CD-CE1 3.48Å; P81-F128 HydrophobicContact CG-CD1 3.71Å; P81-F128 HydrophobicContact CG-CE1 3.47Å; P81-F128 VanDerWaalsContact CG-CE1 3.47Å; P81-F128 HydrophobicContact CG-CG 4.48Å; P81-F128 HydrophobicContact CG-CZ 4.07Å
82Y96.7Very high86.2Confident37 Ų3754.8 Ų54.815%0.14531%0.312CS..THydrogen-bonded Turntrans-94.1-25.1179.3-60.5-48000114.1C80 V97 H101 T104 T106 V108 F128C80-Y82 PolarHBondContact O-N 3.26Å; Y82-V97 HydrophobicContact CD2-CG1 4.21Å; Y82-V97 HydrophobicContact CE2-CG1 3.89Å; Y82-H101 HydrophobicContact CD2-CB 3.58Å; Y82-H101 AromaticContact CD2-CD2 3.99Å; Y82-H101 AromaticContact CD2-CG 3.79Å; Y82-H101 HydrophobicContact CE2-CB 4.16Å; Y82-H101 HydrophobicContact CG-CB 4.31Å; Y82-T104 HydrophobicContact CD1-CG2 3.55Å; Y82-T104 HydrophobicContact CD2-CG2 4.43Å; Y82-T104 HydrophobicContact CE1-CG2 3.72Å; Y82-T104 HydrophobicContact CG-CG2 3.93Å; Y82-T104 PolarHBondContact OH-O 2.73Å; Y82-T106 WeakPolarHBondContact CD1-OG1 3.46Å; Y82-T106 VanDerWaalsContact CE1-OG1 3.28Å; Y82-T106 WeakPolarHBondContact CE1-OG1 3.34Å; Y82-V108 HydrophobicContact CD1-CG1 3.84Å; Y82-V108 HydrophobicContact CE1-CB 4.38Å; Y82-V108 HydrophobicContact CE1-CG1 3.56Å; Y82-V108 HydrophobicContact CE1-CG2 3.86Å; Y82-F128 HydrophobicContact CD2-CD1 4.45Å; Y82-F128 HydrophobicContact CE2-CB 4.03Å; Y82-F128 AromaticContact CE2-CD1 3.85Å; Y82-F128 HydrophobicContact CE2-CD1 3.85Å; Y82-F128 HydrophobicContact CE2-CG 4.44Å; Y82-F128 WeakPolarHBondContact OH-CB 3.35Å
83C96.2Very high88.2Confident52 Ų5248.4 Ų48.435%0.35127%0.273SS..THydrogen-bonded Turntrans-140.42.9-176.3680000115.9C80 K85 H96 H101C80-C83 VanDerWaalsContact SG-SG 3.64Å; C83-K85 PolarHBondContact O-N 3.09Å; C83-K85 VanDerWaalsContact SG-CG 3.56Å; C83-H96 PolarHBondContact SG-NE2 3.13Å; C83-H101 PolarHBondContact SG-NE2 2.79Å
84G95.9Very high90.1Very high30 Ų3042.5 Ų42.531%0.30925%0.246SC..  trans69.1-3.3176.100000116.5C80 M86C80-G84 WeakPolarHBondContact O-CA 3.26Å; C80-G84 PolarHBondContact O-N 3.41Å; G84-M86 PolarHBondContact O-N 3.21Å
85K96.8Very high91.7Very high96 Ų9644.2 Ų44.242%0.41725%0.254SS..  trans-53.5132.5169.2-67.1176.3-169.6175.50109T79 C80 C83 F88 E100T79-K85 CarbonylContact C-O 3.39Å; T79-K85 WeakPolarHBondContact CA-O 3.49Å; C80-K85 PolarHBondContact N-O 3.14Å; C83-K85 PolarHBondContact O-N 3.09Å; C83-K85 VanDerWaalsContact SG-CG 3.56Å; K85-F88 HydrophobicContact CB-CE2 3.6Å; K85-F88 HydrophobicContact CB-CZ 3.81Å; K85-F88 HydrophobicContact CD-CZ 4.4Å; K85-F88 VanDerWaalsContact O-CE2 3.29Å; K85-F88 WeakPolarHBondContact O-CE2 3.48Å; K85-E100 IonicContact NZ-OE2 2.78Å; K85-E100 PolarHBondContact NZ-OE2 2.88Å
86M94.5Very high93.4Very high132 Ų13243.3 Ų43.365%0.6525%0.246SC*.EExtended strand (participates in β ladder)trans-122166.4-177.365.9174.468.500111.5T79 G84T79-M86 HydrophobicContact CG2-CB 4.34Å; G84-M86 PolarHBondContact O-N 3.21Å
87G92.6Very high94.5Very high54 Ų5440.5 Ų40.556%0.55723%0.233SC*.EExtended strand (participates in β ladder)trans99.87.8178.900000114.5F78F78-G87 PolarHBondContact O-N 3.15Å; F78-G87 VanDerWaalsContact O-N 3.13Å
88F93.9Very high94.7Very high37 Ų3740.9 Ų40.916%0.16223%0.233CC..EExtended strand (participates in β ladder)trans-78.5136.3179-60.5-69.6000112.1F78 C80 K85 S92 L93 H96F78-F88 WeakPolarHBondContact CD2-O 3.18Å; F78-F88 PolarHBondContact N-O 2.68Å; F78-F88 PolarHBondContact O-N 3.3Å; C80-F88 HydrophobicContact CB-CD2 4.43Å; C80-F88 HydrophobicContact CB-CE2 3.93Å; K85-F88 HydrophobicContact CB-CE2 3.6Å; K85-F88 HydrophobicContact CB-CZ 3.81Å; K85-F88 HydrophobicContact CD-CZ 4.4Å; K85-F88 VanDerWaalsContact O-CE2 3.29Å; K85-F88 WeakPolarHBondContact O-CE2 3.48Å; F88-S92 VanDerWaalsContact CA-OG 3.3Å; F88-S92 WeakPolarHBondContact CA-OG 3.44Å; F88-S92 WeakPolarHBondContact CB-OG 3.39Å; F88-L93 HydrophobicContact CB-CB 3.8Å; F88-L93 HydrophobicContact CB-CD1 4.37Å; F88-L93 HydrophobicContact CD2-CD1 3.87Å; F88-L93 HydrophobicContact CE2-CD1 4.47Å; F88-L93 HydrophobicContact CG-CB 4.34Å; F88-L93 HydrophobicContact CG-CD1 4.24Å; F88-H96 HydrophobicContact CD1-CB 4.25Å; F88-H96 HydrophobicContact CE1-CB 3.69Å; F88-H96 AromaticContact CE1-CD2 3.79Å; F88-H96 AromaticContact CE1-CG 3.76Å; F88-H96 AromaticContact CE2-CD2 3.36Å; F88-H96 WeakPolarHBondContact CE2-CD2 3.47Å; F88-H96 AromaticContact CE2-NE2 3.95Å; F88-H96 HydrophobicContact CZ-CB 3.96Å; F88-H96 AromaticContact CZ-CD2 3.11Å; F88-H96 WeakPolarHBondContact CZ-CD2 3.47Å; F88-H96 AromaticContact CZ-CG 3.49Å; F88-H96 VanDerWaalsContact CZ-CG 3.49Å; F88-H96 AromaticContact CZ-NE2 3.76Å
89T92.1Very high94.7Very high50 Ų5044.2 Ų44.231%0.30726%0.262SS..  trans-72.116315466.10000110.5T91 S92 L93T89-T91 VanDerWaalsContact C-N 3.32Å; T89-T91 PolarHBondContact O-N 3.48Å; T89-S92 PolarHBondContact N-OG 3.17Å; T89-S92 PolarHBondContact O-N 3.14Å; T89-S92 PolarHBondContact O-OG 2.94Å; T89-S92 PolarHBondContact OG1-N 3.32Å; T89-S92 PolarHBondContact OG1-OG 3.02Å; T89-L93 PolarHBondContact O-N 2.71Å
90E91Very high94.7Very high46 Ų4649.4 Ų49.422%0.21529%0.286CS..Hα-helixtrans-46.7-50.3176.6174.9164.3-12300112.7F78 L93 Q94 I112 H136F78-E90 HydrophobicContact CE2-CB 4.13Å; E90-L93 PolarHBondContact O-N 3.02Å; E90-Q94 PolarHBondContact O-N 3.46Å; E90-Q94 VanDerWaalsContact O-N 3.14Å; E90-I112 HydrophobicContact CB-CD1 3.98Å; E90-I112 HydrophobicContact CG-CD1 3.7Å; E90-H136 HydrophobicContact CG-CB 4.23Å; E90-H136 VanDerWaalsContact CG-O 3.31Å; E90-H136 WeakPolarHBondContact CG-O 3.4Å; E90-H136 WeakPolarHBondContact OE1-CB 3.38Å; E90-H136 IonicContact OE1-CE1 2.73Å; E90-H136 IonicContact OE1-CG 2.76Å; E90-H136 IonicContact OE1-ND1 2.68Å; E90-H136 PolarHBondContact OE1-ND1 2.97Å
91T91.1Very high94.6Very high51 Ų5150.7 Ų50.731%0.31329%0.292SS..Hα-helixtrans-62-48.6176.5-47.60000112.5T89 L93 Q94 E95T89-T91 VanDerWaalsContact C-N 3.32Å; T89-T91 PolarHBondContact O-N 3.48Å; T91-L93 VanDerWaalsContact C-N 3.28Å; T91-L93 PolarHBondContact O-N 2.96Å; T91-Q94 WeakPolarHBondContact O-CB 3.47Å; T91-Q94 PolarHBondContact O-N 3.27Å; T91-E95 WeakPolarHBondContact O-CG 3.28Å; T91-E95 PolarHBondContact O-N 3Å
92S93.3Very high94.2Very high35 Ų3554.6 Ų54.625%0.24532%0.319CS..Hα-helixtrans-69.7-25.9-177.566.80000113F88 T89 H96F88-S92 VanDerWaalsContact CA-OG 3.3Å; F88-S92 WeakPolarHBondContact CA-OG 3.44Å; F88-S92 WeakPolarHBondContact CB-OG 3.39Å; T89-S92 PolarHBondContact N-OG 3.17Å; T89-S92 PolarHBondContact O-N 3.14Å; T89-S92 PolarHBondContact O-OG 2.94Å; T89-S92 PolarHBondContact OG1-N 3.32Å; T89-S92 PolarHBondContact OG1-OG 3.02Å; S92-H96 WeakPolarHBondContact O-CB 3.47Å; S92-H96 PolarHBondContact O-N 2.98Å
93L94.5Very high93.7Very high0 Ų061.8 Ų61.80%035%0.354CS..Hα-helixtrans-68.6-45171.5-177.562.1000110.5F78 C80 F88 T89 E90 T91 E95 H96 V97 P111 I112 F128 L132F78-L93 HydrophobicContact CB-CD2 3.94Å; C80-L93 HydrophobicContact CB-CD1 4Å; F88-L93 HydrophobicContact CB-CB 3.8Å; F88-L93 HydrophobicContact CB-CD1 4.37Å; F88-L93 HydrophobicContact CD2-CD1 3.87Å; F88-L93 HydrophobicContact CE2-CD1 4.47Å; F88-L93 HydrophobicContact CG-CB 4.34Å; F88-L93 HydrophobicContact CG-CD1 4.24Å; T89-L93 PolarHBondContact O-N 2.71Å; E90-L93 PolarHBondContact O-N 3.02Å; T91-L93 VanDerWaalsContact C-N 3.28Å; T91-L93 PolarHBondContact O-N 2.96Å; L93-E95 VanDerWaalsContact C-N 3.34Å; L93-E95 PolarHBondContact O-N 2.93Å; L93-H96 PolarHBondContact O-N 3Å; L93-V97 HydrophobicContact CD1-CG2 3.95Å; L93-V97 HydrophobicContact CG-CG2 4.35Å; L93-V97 WeakPolarHBondContact O-CB 3.25Å; L93-V97 VanDerWaalsContact O-CG2 3.26Å; L93-V97 WeakPolarHBondContact O-CG2 3.25Å; L93-V97 PolarHBondContact O-N 3.4Å; L93-P111 HydrophobicContact CD2-CG 3.76Å; L93-I112 HydrophobicContact CD2-CD1 4.27Å; L93-I112 HydrophobicContact CD2-CG1 4.3Å; L93-F128 HydrophobicContact CD2-CE1 4.43Å; L93-F128 HydrophobicContact CD2-CZ 4.02Å; L93-L132 HydrophobicContact CG-CD1 4.22Å
94Q93.9Very high93.5Very high13 Ų1361.8 Ų61.86%0.06135%0.352CS..Hα-helixtrans-58-46.8174-174.5-179.328.800111E90 T91 T98 L132 T133E90-Q94 PolarHBondContact O-N 3.46Å; E90-Q94 VanDerWaalsContact O-N 3.14Å; T91-Q94 WeakPolarHBondContact O-CB 3.47Å; T91-Q94 PolarHBondContact O-N 3.27Å; Q94-T98 VanDerWaalsContact O-CB 3.28Å; Q94-T98 WeakPolarHBondContact O-CB 3.28Å; Q94-T98 PolarHBondContact O-N 3.01Å; Q94-T98 PolarHBondContact O-OG1 3.43Å; Q94-L132 HydrophobicContact CB-CB 4.47Å; Q94-L132 HydrophobicContact CB-CD1 4.37Å; Q94-L132 HydrophobicContact CG-CB 4.29Å; Q94-T133 VanDerWaalsContact NE2-CA 3.29Å; Q94-T133 PolarHBondContact NE2-OG1 3.4Å
95E94.6Very high93.1Very high123 Ų12365.3 Ų65.358%0.57537%0.372SS*.Hα-helixtrans-64.2-46.1178.9-70.1176.2167.900112.1T91 L93 T98 A99T91-E95 WeakPolarHBondContact O-CG 3.28Å; T91-E95 PolarHBondContact O-N 3Å; L93-E95 VanDerWaalsContact C-N 3.34Å; L93-E95 PolarHBondContact O-N 2.93Å; E95-T98 PolarHBondContact O-N 3.46Å; E95-A99 WeakPolarHBondContact O-CB 3.37Å; E95-A99 PolarHBondContact O-N 3.06Å
96H95.9Very high92.9Very high18 Ų1864.5 Ų64.58%0.08338%0.375CS..Hα-helixtrans-59.8-50176.5165.139.8000112.6C80 C83 F88 S92 L93 T98 A99 E100 H101C80-H96 PolarHBondContact SG-NE2 3.11Å; C83-H96 PolarHBondContact SG-NE2 3.13Å; F88-H96 HydrophobicContact CD1-CB 4.25Å; F88-H96 HydrophobicContact CE1-CB 3.69Å; F88-H96 AromaticContact CE1-CD2 3.79Å; F88-H96 AromaticContact CE1-CG 3.76Å; F88-H96 AromaticContact CE2-CD2 3.36Å; F88-H96 WeakPolarHBondContact CE2-CD2 3.47Å; F88-H96 AromaticContact CE2-NE2 3.95Å; F88-H96 HydrophobicContact CZ-CB 3.96Å; F88-H96 AromaticContact CZ-CD2 3.11Å; F88-H96 WeakPolarHBondContact CZ-CD2 3.47Å; F88-H96 AromaticContact CZ-CG 3.49Å; F88-H96 VanDerWaalsContact CZ-CG 3.49Å; F88-H96 AromaticContact CZ-NE2 3.76Å; S92-H96 WeakPolarHBondContact O-CB 3.47Å; S92-H96 PolarHBondContact O-N 2.98Å; L93-H96 PolarHBondContact O-N 3Å; H96-T98 PolarHBondContact O-N 2.97Å; H96-A99 PolarHBondContact O-N 3.35Å; H96-E100 WeakPolarHBondContact O-CB 3.48Å; H96-E100 PolarHBondContact O-N 3.44Å; H96-H101 AromaticContact CE1-CD2 3.71Å; H96-H101 AromaticContact CE1-NE2 3.46Å; H96-H101 PolarHBondContact CE1-NE2 2.89Å; H96-H101 AromaticContact NE2-CD2 3.83Å; H96-H101 AromaticContact NE2-NE2 3.63Å
97V95.4Very high93Very high0 Ų065.2 Ų65.20%038%0.377CS..Hα-helixtrans-64.3-42.2-178.7171.40000110.7Y82 L93 A99 H101 S102 F128Y82-V97 HydrophobicContact CD2-CG1 4.21Å; Y82-V97 HydrophobicContact CE2-CG1 3.89Å; L93-V97 HydrophobicContact CD1-CG2 3.95Å; L93-V97 HydrophobicContact CG-CG2 4.35Å; L93-V97 WeakPolarHBondContact O-CB 3.25Å; L93-V97 VanDerWaalsContact O-CG2 3.26Å; L93-V97 WeakPolarHBondContact O-CG2 3.25Å; L93-V97 PolarHBondContact O-N 3.4Å; V97-A99 VanDerWaalsContact C-N 3.29Å; V97-A99 PolarHBondContact O-N 2.98Å; V97-H101 HydrophobicContact CG1-CB 4.37Å; V97-H101 CarbonylContact O-C 3.58Å; V97-H101 WeakPolarHBondContact O-CA 3.36Å; V97-H101 WeakPolarHBondContact O-CB 3.44Å; V97-H101 PolarHBondContact O-N 3.16Å; V97-S102 PolarHBondContact O-N 3.48Å; V97-F128 HydrophobicContact CG1-CD1 4Å; V97-F128 HydrophobicContact CG2-CD1 4.07Å; V97-F128 HydrophobicContact CG2-CE1 3.87Å
98T93.9Very high93.2Very high67 Ų6762.7 Ų62.741%0.41135%0.351SS..Hα-helixtrans-64.3-32.5177.5-52.40000112.5Q94 E95 H96 T129Q94-T98 VanDerWaalsContact O-CB 3.28Å; Q94-T98 WeakPolarHBondContact O-CB 3.28Å; Q94-T98 PolarHBondContact O-N 3.01Å; Q94-T98 PolarHBondContact O-OG1 3.43Å; E95-T98 PolarHBondContact O-N 3.46Å; H96-T98 PolarHBondContact O-N 2.97Å; T98-T129 HydrophobicContact CG2-CG2 4.43Å
99A95.8Very high93.4Very high76 Ų7661 Ų6163%0.62834%0.344SS*.Hα-helixtrans-85.1-40.9-178.500000113.8E95 H96 V97E95-A99 WeakPolarHBondContact O-CB 3.37Å; E95-A99 PolarHBondContact O-N 3.06Å; H96-A99 PolarHBondContact O-N 3.35Å; V97-A99 VanDerWaalsContact C-N 3.29Å; V97-A99 PolarHBondContact O-N 2.98Å
100E95.9Very high93.6Very high117 Ų11758.7 Ų58.755%0.54733%0.329SS..Hα-helixtrans-107.5-15.8-167.7-57.9-113.9122.600113.4K85 H96K85-E100 IonicContact NZ-OE2 2.78Å; K85-E100 PolarHBondContact NZ-OE2 2.88Å; H96-E100 WeakPolarHBondContact O-CB 3.48Å; H96-E100 PolarHBondContact O-N 3.44Å
101H95.3Very high93.8Very high28 Ų2856.5 Ų56.513%0.1332%0.319CS..  trans-133.120.8-171.5-60.5-52.5000113.6Y82 C83 H96 V97 E103 T104Y82-H101 HydrophobicContact CD2-CB 3.58Å; Y82-H101 AromaticContact CD2-CD2 3.99Å; Y82-H101 AromaticContact CD2-CG 3.79Å; Y82-H101 HydrophobicContact CE2-CB 4.16Å; Y82-H101 HydrophobicContact CG-CB 4.31Å; C83-H101 PolarHBondContact SG-NE2 2.79Å; H96-H101 AromaticContact CE1-CD2 3.71Å; H96-H101 AromaticContact CE1-NE2 3.46Å; H96-H101 PolarHBondContact CE1-NE2 2.89Å; H96-H101 AromaticContact NE2-CD2 3.83Å; H96-H101 AromaticContact NE2-NE2 3.63Å; V97-H101 HydrophobicContact CG1-CB 4.37Å; V97-H101 CarbonylContact O-C 3.58Å; V97-H101 WeakPolarHBondContact O-CA 3.36Å; V97-H101 WeakPolarHBondContact O-CB 3.44Å; V97-H101 PolarHBondContact O-N 3.16Å; H101-E103 PolarHBondContact O-N 2.9Å; H101-T104 WeakPolarHBondContact O-CB 3.34Å; H101-T104 PolarHBondContact O-N 2.76Å; H101-T104 PolarHBondContact O-OG1 3.18Å
102S88.3Confident94Very high85 Ų8554.1 Ų54.159%0.59430%0.304SS*.THydrogen-bonded Turntrans-55.3-24.1-175.654.20000116.3V97V97-S102 PolarHBondContact O-N 3.48Å
103E86.6Confident94Very high188 Ų18853.2 Ų53.288%0.87930%0.298SS*.THydrogen-bonded Turntrans-108.39.6178.3-60.2-174.8173.300113H101 S105H101-E103 PolarHBondContact O-N 2.9Å; E103-S105 PolarHBondContact O-N 3.17Å
104T91.3Very high94Very high51 Ų5153.6 Ų53.631%0.31330%0.301SS..  trans-90.1100.1-174.9-50.90000111.6Y82 H101 T106Y82-T104 HydrophobicContact CD1-CG2 3.55Å; Y82-T104 HydrophobicContact CD2-CG2 4.43Å; Y82-T104 HydrophobicContact CE1-CG2 3.72Å; Y82-T104 HydrophobicContact CG-CG2 3.93Å; Y82-T104 PolarHBondContact OH-O 2.73Å; H101-T104 WeakPolarHBondContact O-CB 3.34Å; H101-T104 PolarHBondContact O-N 2.76Å; H101-T104 PolarHBondContact O-OG1 3.18Å; T104-T106 HydrophobicContact CG2-CG2 4.46Å
105S87.9Confident93.9Very high105 Ų10554.1 Ų54.173%0.73431%0.308SS*.  trans-100.339.5-178.774.30000113.9E103E103-S105 PolarHBondContact O-N 3.17Å
106T93.4Very high93.6Very high78 Ų7851.5 Ų51.548%0.47930%0.297SS..  trans-88.9134.3175.555.90000110.4Y82 T104 V108Y82-T106 WeakPolarHBondContact CD1-OG1 3.46Å; Y82-T106 VanDerWaalsContact CE1-OG1 3.28Å; Y82-T106 WeakPolarHBondContact CE1-OG1 3.34Å; T104-T106 HydrophobicContact CG2-CG2 4.46Å; T106-V108 PolarHBondContact O-N 2.9Å
107E95.8Very high92.8Very high148 Ų14857 Ų5769%0.69234%0.335SS*.  trans-58.1125.2175.3-66-179.9162.600111.1V124 T125E107-V124 HydrophobicContact CB-CG1 3.98Å; E107-T125 WeakPolarHBondContact CA-O 3.37Å
108V97.1Very high92.2Very high1 Ų161 Ų611%0.00638%0.375CS..EExtended strand (participates in β ladder)trans-139.3152.2-178-70.60000111.4I26 P81 Y82 T106 V124 T125 F128I26-V108 HydrophobicContact CD1-CG1 4.03Å; P81-V108 HydrophobicContact CB-CB 3.76Å; P81-V108 HydrophobicContact CB-CG1 3.78Å; P81-V108 HydrophobicContact CB-CG2 4.28Å; P81-V108 HydrophobicContact CG-CB 4.01Å; P81-V108 HydrophobicContact CG-CG1 4.2Å; P81-V108 HydrophobicContact CG-CG2 3.94Å; Y82-V108 HydrophobicContact CD1-CG1 3.84Å; Y82-V108 HydrophobicContact CE1-CB 4.38Å; Y82-V108 HydrophobicContact CE1-CG1 3.56Å; Y82-V108 HydrophobicContact CE1-CG2 3.86Å; T106-V108 PolarHBondContact O-N 2.9Å; V108-V124 CarbonylContact O-C 3.51Å; V108-V124 WeakPolarHBondContact O-CA 3.37Å; V108-T125 HydrophobicContact CG2-CG2 4.46Å; V108-T125 PolarHBondContact N-O 3.48Å; V108-T125 PolarHBondContact O-N 3.32Å; V108-F128 HydrophobicContact CG2-CB 3.86Å; V108-F128 HydrophobicContact CG2-CD1 4.45Å; V108-F128 HydrophobicContact CG2-CD2 4.45Å; V108-F128 HydrophobicContact CG2-CG 4.03Å
109I97.7Very high91.9Very high2 Ų259.2 Ų59.21%0.0137%0.37CS..EExtended strand (participates in β ladder)trans-86.1133.2172.7-62.3160.1000109C24 L25 C27 P111 H123 V124C24-I109 WeakPolarHBondContact O-CD1 3.47Å; L25-I109 PolarHBondContact O-N 3.38Å; C27-I109 WeakPolarHBondContact O-CD1 3.28Å; I109-P111 WeakPolarHBondContact O-CD 3.22Å; I109-H123 WeakPolarHBondContact CA-O 3.38Å; I109-V124 HydrophobicContact CG1-CG2 3.86Å
110C96.5Very high91.7Very high0 Ų059.5 Ų59.50%036%0.362CS..  trans-68.6118.4177.8175.60000111.7I112 C113 A114 H123 F128 H131C110-I112 PolarHBondContact O-N 3.05Å; C110-I112 PolarHBondContact SG-N 3.46Å; C110-I112 VanDerWaalsContact SG-N 3.43Å; C110-C113 HydrophobicContact CB-CB 3.98Å; C110-C113 PolarHBondContact O-N 3.47Å; C110-C113 PolarHBondContact SG-N 2.91Å; C110-C113 VanDerWaalsContact SG-N 3.4Å; C110-A114 WeakPolarHBondContact O-CB 3.36Å; C110-A114 PolarHBondContact O-N 3.21Å; C110-H123 PolarHBondContact N-O 3.4Å; C110-F128 HydrophobicContact CB-CE2 4.03Å; C110-H131 WeakPolarHBondContact CB-NE2 3.17Å; C110-H131 PolarHBondContact SG-NE2 3.35Å
111P96.1Very high91.6Very high0 Ų056.4 Ų56.40%035%0.351CS..Hα-helixtrans-65.9-22.3179.228.2-36000113.2L25 Q53 F78 L93 I109 A115 F128L25-P111 HydrophobicContact CD1-CB 3.99Å; L25-P111 HydrophobicContact CD1-CG 4.46Å; L25-P111 HydrophobicContact CD2-CB 3.92Å; Q53-P111 HydrophobicContact CB-CB 4.24Å; Q53-P111 HydrophobicContact CG-CB 4.12Å; F78-P111 HydrophobicContact CD1-CB 4.32Å; L93-P111 HydrophobicContact CD2-CG 3.76Å; I109-P111 WeakPolarHBondContact O-CD 3.22Å; P111-A115 PolarHBondContact O-N 3.28Å; P111-F128 HydrophobicContact CG-CZ 4.11Å
112I94.1Very high91.5Very high1 Ų155.9 Ų55.91%0.00535%0.35CS..Hα-helixtrans-80.8-49.7-179.4-43.8-172.5000110.1F78 E90 L93 C110 A114 A115 L116 L132 H136F78-I112 HydrophobicContact CD1-CG1 4.04Å; F78-I112 HydrophobicContact CD2-CD1 4.39Å; F78-I112 HydrophobicContact CD2-CG1 4.19Å; F78-I112 HydrophobicContact CE1-CB 4.17Å; F78-I112 HydrophobicContact CE1-CG1 4.03Å; F78-I112 HydrophobicContact CE1-CG2 4.09Å; F78-I112 HydrophobicContact CE2-CD1 4.34Å; F78-I112 HydrophobicContact CE2-CG1 4.18Å; F78-I112 HydrophobicContact CE2-CG2 4.33Å; F78-I112 HydrophobicContact CG-CG1 4.13Å; F78-I112 HydrophobicContact CZ-CB 4.26Å; F78-I112 HydrophobicContact CZ-CG1 4.1Å; F78-I112 HydrophobicContact CZ-CG2 3.76Å; E90-I112 HydrophobicContact CB-CD1 3.98Å; E90-I112 HydrophobicContact CG-CD1 3.7Å; L93-I112 HydrophobicContact CD2-CD1 4.27Å; L93-I112 HydrophobicContact CD2-CG1 4.3Å; C110-I112 PolarHBondContact O-N 3.05Å; C110-I112 PolarHBondContact SG-N 3.46Å; C110-I112 VanDerWaalsContact SG-N 3.43Å; I112-A114 PolarHBondContact O-N 3.12Å; I112-A115 PolarHBondContact O-N 3.36Å; I112-A115 VanDerWaalsContact O-N 3.09Å; I112-L116 HydrophobicContact CG2-CD1 3.88Å; I112-L116 HydrophobicContact CG2-CG 4.09Å; I112-L116 WeakPolarHBondContact O-CB 3.46Å; I112-L116 WeakPolarHBondContact O-CG 3.24Å; I112-L116 PolarHBondContact O-N 3.38Å; I112-L132 HydrophobicContact CD1-CD2 3.67Å; I112-L132 HydrophobicContact CG1-CD2 4.39Å; I112-H136 HydrophobicContact CD1-CB 4.21Å; I112-H136 WeakPolarHBondContact CG2-CE1 3.31Å; I112-H136 WeakPolarHBondContact CG2-ND1 3.43Å
113C94.7Very high91.9Very high17 Ų1754.7 Ų54.712%0.11534%0.335CS..Hα-helixtrans-56.5-36169.5-75.90000112.3C110 A115 D120 H123 H136C110-C113 HydrophobicContact CB-CB 3.98Å; C110-C113 PolarHBondContact O-N 3.47Å; C110-C113 PolarHBondContact SG-N 2.91Å; C110-C113 VanDerWaalsContact SG-N 3.4Å; C113-A115 VanDerWaalsContact C-N 3.34Å; C113-A115 PolarHBondContact O-N 3.28Å; C113-D120 WeakPolarHBondContact CB-O 3.43Å; C113-H123 HydrophobicContact CB-CB 3.94Å; C113-H136 PolarHBondContact SG-NE2 3.21Å
114A94.4Very high92.4Very high8 Ų848.6 Ų48.67%0.06631%0.31CS..Hα-helixtrans-64.1-31.6175.700000114.5K23 I55 C110 I112K23-A114 HydrophobicContact CD-CB 4.3Å; I55-A114 HydrophobicContact CD1-CB 4.46Å; I55-A114 WeakPolarHBondContact CD1-O 3.25Å; C110-A114 WeakPolarHBondContact O-CB 3.36Å; C110-A114 PolarHBondContact O-N 3.21Å; I112-A114 PolarHBondContact O-N 3.12Å
115A91.3Very high92.6Very high24 Ų2446.9 Ų46.920%0.19830%0.3CS..Hα-helixtrans-97-28.8-17700000114F78 P111 I112 C113F78-A115 HydrophobicContact CE1-CB 4.01Å; P111-A115 PolarHBondContact O-N 3.28Å; I112-A115 PolarHBondContact O-N 3.36Å; I112-A115 VanDerWaalsContact O-N 3.09Å; C113-A115 VanDerWaalsContact C-N 3.34Å; C113-A115 PolarHBondContact O-N 3.28Å
116L87.8Confident92.9Very high68 Ų6847 Ų4736%0.35629%0.292SS..SBendtrans-69.7133.8-173.3-78.1177000113I112 G118 G119I112-L116 HydrophobicContact CG2-CD1 3.88Å; I112-L116 HydrophobicContact CG2-CG 4.09Å; I112-L116 WeakPolarHBondContact O-CB 3.46Å; I112-L116 WeakPolarHBondContact O-CG 3.24Å; I112-L116 PolarHBondContact O-N 3.38Å; L116-G118 VanDerWaalsContact C-N 3.35Å; L116-G118 PolarHBondContact O-N 3.25Å; L116-G119 PolarHBondContact O-N 2.95Å; L116-G119 VanDerWaalsContact O-N 3.08Å
117P80.6Confident92.9Very high134 Ų13447.2 Ų47.287%0.8729%0.29SS*.THydrogen-bonded Turntrans-72.585.6178.630.7-35.4000111.4
118G82.1Confident92.8Very high82 Ų8240.2 Ų40.285%0.84526%0.257SS*.THydrogen-bonded Turntrans126.8-2.9-176.300000114.4L116L116-G118 VanDerWaalsContact C-N 3.35Å; L116-G118 PolarHBondContact O-N 3.25Å
119G86.8Confident92.7Very high30 Ų3041.6 Ų41.631%0.30927%0.266SS..SBendtrans-71.4168.1165.700000112.1L116 P121L116-G119 PolarHBondContact O-N 2.95Å; L116-G119 VanDerWaalsContact O-N 3.08Å; G119-P121 WeakPolarHBondContact O-CD 3.14Å
120D92.7Very high92.4Very high83 Ų8343.1 Ų43.144%0.44428%0.279SS..  trans-81.3115.2168.51736.2000109.4C113 N122 H123C113-D120 WeakPolarHBondContact CB-O 3.43Å; D120-N122 PolarHBondContact O-N 3.34Å; D120-N122 VanDerWaalsContact O-N 3.13Å; D120-N122 PolarHBondContact OD1-N 3.19Å; D120-H123 HydrophobicContact CB-CB 4.13Å; D120-H123 PolarHBondContact O-N 3.18Å
121P92.6Very high92.3Very high51 Ų5143.9 Ų43.933%0.33128%0.283SS..THydrogen-bonded Turntrans-63.1-21.2-176.8-23.235.2000114.6K23 G119K23-P121 WeakPolarHBondContact CE-O 3.23Å; G119-P121 WeakPolarHBondContact O-CD 3.14Å
122N94.9Very high92.2Very high18 Ų1844 Ų4410%0.09628%0.283CS..THydrogen-bonded Turntrans-117.529.6-176.1-66.3-54.5000111.9K23 Y28 D29 D120 V124K23-N122 WeakPolarHBondContact CE-OD1 3.45Å; K23-N122 PolarHBondContact NZ-OD1 3.37Å; Y28-N122 HydrophobicContact CD2-CB 4.23Å; Y28-N122 HydrophobicContact CE2-CB 3.71Å; D29-N122 WeakPolarHBondContact CA-OD1 3.24Å; D29-N122 PolarHBondContact N-OD1 3.28Å; D29-N122 VanDerWaalsContact N-OD1 3.08Å; D29-N122 PolarHBondContact OD1-ND2 3.05Å; D120-N122 PolarHBondContact O-N 3.34Å; D120-N122 VanDerWaalsContact O-N 3.13Å; D120-N122 PolarHBondContact OD1-N 3.19Å; N122-V124 PolarHBondContact O-N 3.11Å
123H96.1Very high92.1Very high60 Ų6046.7 Ų46.728%0.27830%0.3SS..  trans-64.995.7178.1-169.671000111.8I109 C110 C113 D120 H131I109-H123 WeakPolarHBondContact CA-O 3.38Å; C110-H123 PolarHBondContact N-O 3.4Å; C113-H123 HydrophobicContact CB-CB 3.94Å; D120-H123 HydrophobicContact CB-CB 4.13Å; D120-H123 PolarHBondContact O-N 3.18Å; H123-H131 AromaticContact CD2-CE1 3.26Å; H123-H131 PolarHBondContact CD2-CE1 3.11Å; H123-H131 AromaticContact CD2-ND1 3.65Å; H123-H131 AromaticContact CD2-NE2 3.79Å; H123-H131 AromaticContact NE2-CE1 3.29Å; H123-H131 PolarHBondContact NE2-CE1 3.35Å; H123-H131 VanDerWaalsContact NE2-CE1 3.29Å; H123-H131 AromaticContact NE2-ND1 3.24Å; H123-H131 PolarHBondContact NE2-ND1 3.16Å
124V96.6Very high91.9Very high60 Ų6052.4 Ų52.436%0.36433%0.328SS..EExtended strand (participates in β ladder)trans-82.5136174-1780000110.2Y28 E107 V108 I109 N122Y28-V124 HydrophobicContact CD2-CG2 3.9Å; Y28-V124 HydrophobicContact CE2-CG2 4.44Å; E107-V124 HydrophobicContact CB-CG1 3.98Å; V108-V124 CarbonylContact O-C 3.51Å; V108-V124 WeakPolarHBondContact O-CA 3.37Å; I109-V124 HydrophobicContact CG1-CG2 3.86Å; N122-V124 PolarHBondContact O-N 3.11Å
125T95.1Very high91.7Very high15 Ų1558.7 Ų58.79%0.09236%0.356CS..EExtended strand (participates in β ladder)trans-140.1144.4174.6179.70000110.9E107 V108 D127 F128 H131E107-T125 WeakPolarHBondContact CA-O 3.37Å; V108-T125 HydrophobicContact CG2-CG2 4.46Å; V108-T125 PolarHBondContact N-O 3.48Å; V108-T125 PolarHBondContact O-N 3.32Å; T125-D127 PolarHBondContact OG1-O 3.01Å; T125-F128 HydrophobicContact CG2-CB 4.09Å; T125-F128 HydrophobicContact CG2-CD2 3.84Å; T125-F128 HydrophobicContact CG2-CG 4.42Å; T125-H131 HydrophobicContact CG2-CB 4.07Å
126D94.2Very high91.5Very high108 Ų10858.2 Ų58.258%0.57835%0.35SS*.SBendtrans-90.2-38.3176.256.3-22.3000112.3
127D93.6Very high91.3Very high82 Ų8261.5 Ų61.544%0.43936%0.358SS..  trans-105.579.8168.9-172.5-10.9000111.1T125 T129 A130 H131T125-D127 PolarHBondContact OG1-O 3.01Å; D127-T129 PolarHBondContact O-N 3.36Å; D127-T129 PolarHBondContact OD1-N 3.36Å; D127-A130 HydrophobicContact CB-CB 4.15Å; D127-A130 PolarHBondContact O-N 3.5Å; D127-A130 WeakPolarHBondContact OD1-CB 3.4Å; D127-A130 PolarHBondContact OD1-N 2.93Å; D127-A130 VanDerWaalsContact OD2-CB 3.24Å; D127-A130 WeakPolarHBondContact OD2-CB 3.46Å; D127-H131 PolarHBondContact O-N 2.96Å
128F94.9Very high90.5Very high0 Ų057.1 Ų57.10%033%0.333CS..Hα-helixtrans-61.1-29.2178-173.5-135.2000112.5P81 Y82 L93 V97 V108 C110 P111 T125 H131 L132P81-F128 VanDerWaalsContact CD-CE1 3.48Å; P81-F128 HydrophobicContact CG-CD1 3.71Å; P81-F128 HydrophobicContact CG-CE1 3.47Å; P81-F128 VanDerWaalsContact CG-CE1 3.47Å; P81-F128 HydrophobicContact CG-CG 4.48Å; P81-F128 HydrophobicContact CG-CZ 4.07Å; Y82-F128 HydrophobicContact CD2-CD1 4.45Å; Y82-F128 HydrophobicContact CE2-CB 4.03Å; Y82-F128 AromaticContact CE2-CD1 3.85Å; Y82-F128 HydrophobicContact CE2-CD1 3.85Å; Y82-F128 HydrophobicContact CE2-CG 4.44Å; Y82-F128 WeakPolarHBondContact OH-CB 3.35Å; L93-F128 HydrophobicContact CD2-CE1 4.43Å; L93-F128 HydrophobicContact CD2-CZ 4.02Å; V97-F128 HydrophobicContact CG1-CD1 4Å; V97-F128 HydrophobicContact CG2-CD1 4.07Å; V97-F128 HydrophobicContact CG2-CE1 3.87Å; V108-F128 HydrophobicContact CG2-CB 3.86Å; V108-F128 HydrophobicContact CG2-CD1 4.45Å; V108-F128 HydrophobicContact CG2-CD2 4.45Å; V108-F128 HydrophobicContact CG2-CG 4.03Å; C110-F128 HydrophobicContact CB-CE2 4.03Å; P111-F128 HydrophobicContact CG-CZ 4.11Å; T125-F128 HydrophobicContact CG2-CB 4.09Å; T125-F128 HydrophobicContact CG2-CD2 3.84Å; T125-F128 HydrophobicContact CG2-CG 4.42Å; F128-H131 AromaticContact CD2-CD2 3.97Å; F128-H131 PolarHBondContact O-N 2.92Å; F128-L132 HydrophobicContact CD1-CD1 4.17Å; F128-L132 HydrophobicContact CD2-CD1 4.43Å; F128-L132 HydrophobicContact CD2-CG 4.05Å; F128-L132 HydrophobicContact CE1-CD1 3.73Å; F128-L132 HydrophobicContact CE1-CG 4.33Å; F128-L132 HydrophobicContact CE2-CD1 4.01Å; F128-L132 HydrophobicContact CE2-CD2 3.75Å; F128-L132 HydrophobicContact CE2-CG 3.68Å; F128-L132 HydrophobicContact CG-CD1 4.49Å; F128-L132 HydrophobicContact CG-CG 4.5Å; F128-L132 HydrophobicContact CZ-CD1 3.63Å; F128-L132 HydrophobicContact CZ-CD2 3.88Å; F128-L132 HydrophobicContact CZ-CG 3.83Å; F128-L132 WeakPolarHBondContact O-CB 3.36Å; F128-L132 WeakPolarHBondContact O-CG 3.34Å; F128-L132 PolarHBondContact O-N 2.94Å
129T93.6Very high89.3Confident30 Ų3059.3 Ų59.318%0.18433%0.332CS..Hα-helixtrans-68.8-45179.2-52.70000111.1T98 D127 T133T98-T129 HydrophobicContact CG2-CG2 4.43Å; D127-T129 PolarHBondContact O-N 3.36Å; D127-T129 PolarHBondContact OD1-N 3.36Å; T129-T133 WeakPolarHBondContact O-CB 3.14Å; T129-T133 PolarHBondContact O-N 3.44Å; T129-T133 VanDerWaalsContact O-N 3.15Å; T129-T133 PolarHBondContact O-OG1 2.81Å
130A92.9Very high87.5Confident35 Ų3567.6 Ų67.629%0.28935%0.354SS..Hα-helixtrans-66.8-43.2173.500000111.7D127 L132 T133 L134D127-A130 HydrophobicContact CB-CB 4.15Å; D127-A130 PolarHBondContact O-N 3.5Å; D127-A130 WeakPolarHBondContact OD1-CB 3.4Å; D127-A130 PolarHBondContact OD1-N 2.93Å; D127-A130 VanDerWaalsContact OD2-CB 3.24Å; D127-A130 WeakPolarHBondContact OD2-CB 3.46Å; A130-L132 PolarHBondContact O-N 2.99Å; A130-T133 CarbonylContact O-C 3.26Å; A130-T133 WeakPolarHBondContact O-CA 3.41Å; A130-T133 PolarHBondContact O-N 3.48Å; A130-L134 WeakPolarHBondContact O-CG 3.28Å; A130-L134 PolarHBondContact O-N 3.04Å
131H94.3Very high85.2Confident16 Ų1671.5 Ų71.57%0.07438%0.375CS..Hα-helixtrans-55.7-51.7175.9168.573.8000111.9C110 H123 T125 D127 F128 T133 L134 E135 H136C110-H131 WeakPolarHBondContact CB-NE2 3.17Å; C110-H131 PolarHBondContact SG-NE2 3.35Å; H123-H131 AromaticContact CD2-CE1 3.26Å; H123-H131 PolarHBondContact CD2-CE1 3.11Å; H123-H131 AromaticContact CD2-ND1 3.65Å; H123-H131 AromaticContact CD2-NE2 3.79Å; H123-H131 AromaticContact NE2-CE1 3.29Å; H123-H131 PolarHBondContact NE2-CE1 3.35Å; H123-H131 VanDerWaalsContact NE2-CE1 3.29Å; H123-H131 AromaticContact NE2-ND1 3.24Å; H123-H131 PolarHBondContact NE2-ND1 3.16Å; T125-H131 HydrophobicContact CG2-CB 4.07Å; D127-H131 PolarHBondContact O-N 2.96Å; F128-H131 AromaticContact CD2-CD2 3.97Å; F128-H131 PolarHBondContact O-N 2.92Å; H131-T133 PolarHBondContact O-N 3.43Å; H131-L134 PolarHBondContact O-N 2.68Å; H131-E135 PolarHBondContact O-N 3.18Å; H131-H136 AromaticContact CE1-CD2 3.96Å; H131-H136 AromaticContact NE2-CD2 3.4Å; H131-H136 PolarHBondContact NE2-CD2 3.4Å; H131-H136 AromaticContact NE2-NE2 3.63Å
132L92.8Very high82.9Confident1 Ų176 Ų761%0.00540%0.396CS..Hα-helixtrans-59.5-31.2176-73.2179.6000112.5L93 Q94 I112 F128 A130 H136 R137L93-L132 HydrophobicContact CG-CD1 4.22Å; Q94-L132 HydrophobicContact CB-CB 4.47Å; Q94-L132 HydrophobicContact CB-CD1 4.37Å; Q94-L132 HydrophobicContact CG-CB 4.29Å; I112-L132 HydrophobicContact CD1-CD2 3.67Å; I112-L132 HydrophobicContact CG1-CD2 4.39Å; F128-L132 HydrophobicContact CD1-CD1 4.17Å; F128-L132 HydrophobicContact CD2-CD1 4.43Å; F128-L132 HydrophobicContact CD2-CG 4.05Å; F128-L132 HydrophobicContact CE1-CD1 3.73Å; F128-L132 HydrophobicContact CE1-CG 4.33Å; F128-L132 HydrophobicContact CE2-CD1 4.01Å; F128-L132 HydrophobicContact CE2-CD2 3.75Å; F128-L132 HydrophobicContact CE2-CG 3.68Å; F128-L132 HydrophobicContact CG-CD1 4.49Å; F128-L132 HydrophobicContact CG-CG 4.5Å; F128-L132 HydrophobicContact CZ-CD1 3.63Å; F128-L132 HydrophobicContact CZ-CD2 3.88Å; F128-L132 HydrophobicContact CZ-CG 3.83Å; F128-L132 WeakPolarHBondContact O-CB 3.36Å; F128-L132 WeakPolarHBondContact O-CG 3.34Å; F128-L132 PolarHBondContact O-N 2.94Å; A130-L132 PolarHBondContact O-N 2.99Å; L132-H136 HydrophobicContact CD2-CB 3.96Å; L132-H136 CarbonylContact O-C 3.58Å; L132-H136 VanDerWaalsContact O-C 3.26Å; L132-H136 WeakPolarHBondContact O-CA 3.32Å; L132-H136 PolarHBondContact O-N 2.94Å; L132-R137 PolarHBondContact O-N 3.24Å; L132-R137 VanDerWaalsContact O-N 3.15Å
133T91.4Very high80.4Confident59 Ų5982 Ų8236%0.36243%0.427SS..Hα-helixtrans-79.3-24.8-178.6-56.50000113.9Q94 T129 A130 H131 R137Q94-T133 VanDerWaalsContact NE2-CA 3.29Å; Q94-T133 PolarHBondContact NE2-OG1 3.4Å; T129-T133 WeakPolarHBondContact O-CB 3.14Å; T129-T133 PolarHBondContact O-N 3.44Å; T129-T133 VanDerWaalsContact O-N 3.15Å; T129-T133 PolarHBondContact O-OG1 2.81Å; A130-T133 CarbonylContact O-C 3.26Å; A130-T133 WeakPolarHBondContact O-CA 3.41Å; A130-T133 PolarHBondContact O-N 3.48Å; H131-T133 PolarHBondContact O-N 3.43Å; T133-R137 WeakPolarHBondContact O-CB 3.33Å
134L91.6Very high77.7Confident136 Ų13685.9 Ų85.971%0.71245%0.446SS*.Hα-helixtrans-96.4-44.9-178.8-66.9172.5000112.7A130 H131A130-L134 WeakPolarHBondContact O-CG 3.28Å; A130-L134 PolarHBondContact O-N 3.04Å; H131-L134 PolarHBondContact O-N 2.68Å
135E89.9Confident75.2Confident140 Ų14087.6 Ų87.665%0.65446%0.461SS*.Hα-helixtrans-100.2-27.7-172-54.2-58.9129.700113.2H131H131-E135 PolarHBondContact O-N 3.18Å
136H87.9Confident72.4Confident15 Ų1592.3 Ų92.37%0.06949%0.494CS..SBendtrans-118.310.8-170.3-72.5-67.4000114.7E90 I112 C113 H131 L132 A138E90-H136 HydrophobicContact CG-CB 4.23Å; E90-H136 VanDerWaalsContact CG-O 3.31Å; E90-H136 WeakPolarHBondContact CG-O 3.4Å; E90-H136 WeakPolarHBondContact OE1-CB 3.38Å; E90-H136 IonicContact OE1-CE1 2.73Å; E90-H136 IonicContact OE1-CG 2.76Å; E90-H136 IonicContact OE1-ND1 2.68Å; E90-H136 PolarHBondContact OE1-ND1 2.97Å; I112-H136 HydrophobicContact CD1-CB 4.21Å; I112-H136 WeakPolarHBondContact CG2-CE1 3.31Å; I112-H136 WeakPolarHBondContact CG2-ND1 3.43Å; C113-H136 PolarHBondContact SG-NE2 3.21Å; H131-H136 AromaticContact CE1-CD2 3.96Å; H131-H136 AromaticContact NE2-CD2 3.4Å; H131-H136 PolarHBondContact NE2-CD2 3.4Å; H131-H136 AromaticContact NE2-NE2 3.63Å; L132-H136 HydrophobicContact CD2-CB 3.96Å; L132-H136 CarbonylContact O-C 3.58Å; L132-H136 VanDerWaalsContact O-C 3.26Å; L132-H136 WeakPolarHBondContact O-CA 3.32Å; L132-H136 PolarHBondContact O-N 2.94Å; H136-A138 PolarHBondContact O-N 2.83Å; H136-A138 VanDerWaalsContact O-N 3.14Å
137R83.1Confident69.9Low136 Ų13692 Ų9251%0.51350%0.501SS..  trans-80.8101.6179.2-173163.5-174.576.7-7110.8L132 T133L132-R137 PolarHBondContact O-N 3.24Å; L132-R137 VanDerWaalsContact O-N 3.15Å; T133-R137 WeakPolarHBondContact O-CB 3.33Å
138A64.6Low67.9Low43 Ų4394 Ų9436%0.35552%0.516SS..  trans-40122.4174.800000112.3H136 R140H136-A138 PolarHBondContact O-N 2.83Å; H136-A138 VanDerWaalsContact O-N 3.14Å; A138-R140 PolarHBondContact O-N 3.3Å
139P56.3Low65.5Low127 Ų127105.1 Ų105.183%0.82556%0.557SS**  trans-64.3107.8177-2032.1000110
140R47.9Very low62.9Low204 Ų204112.1 Ų112.177%0.7759%0.588SS**  trans-59.8139.6169-71.5-169.8175.8-162.2-2.8109.4A138 L142A138-R140 PolarHBondContact O-N 3.3Å; R140-L142 PolarHBondContact O-N 3.23Å
141D45Very low60.3Low165 Ų165116.7 Ų116.788%0.88261%0.612SS**  trans-43.3102.9-164.8-53.8-98.3000113.2D143D141-D143 PolarHBondContact O-N 3.03Å
142L44.4Very low58Low146 Ų146125.1 Ų125.176%0.76464%0.643SS**  trans-10369.5178.1-135.4171.3000109.2R140R140-L142 PolarHBondContact O-N 3.23Å
143D42.2Very low55.9Low143 Ų143136.4 Ų136.477%0.76569%0.685SS**  trans-58.7153.4169.2-165.5-112.9000110.9D141D141-D143 PolarHBondContact O-N 3.03Å
144E39.7Very low53.2Low143 Ų143139.1 Ų139.167%0.66870%0.695SS**SBendtrans64103.8170.5-163.464.4121.400118.8S146E144-S146 PolarHBondContact O-N 2.96Å
145S43.2Very low50.5Low96 Ų96142.6 Ų142.667%0.67171%0.705SS**  trans53.256.9141.6-65.20000121.2S147S145-S147 VanDerWaalsContact C-N 3.28Å; S145-S147 PolarHBondContact O-N 3.32Å
146S38.1Very low47.9Very low113 Ų113143.9 Ų143.979%0.7971%0.711SS**  trans-79.466.5162.8-81.60000114.2E144E144-S146 PolarHBondContact O-N 2.96Å
147S41.8Very low45.7Very low103 Ų103149.1 Ų149.172%0.7275%0.746SS**  trans-69.7127.9167.4-83.50000112.5S145S145-S147 VanDerWaalsContact C-N 3.28Å; S145-S147 PolarHBondContact O-N 3.32Å
148V50.8Low43.2Very low124 Ų124146.5 Ų146.575%0.75276%0.761SS**  trans53.290.6154.3-1700000117
149R43.8Very low42Very low232 Ų232156.9 Ų156.988%0.87579%0.791SS**  trans-140.789.2141.1-68.4-163.5-175.8-176.54.6112.4V151R149-V151 PolarHBondContact O-N 2.99Å
150H39.2Very low40.9Very low178 Ų178154.3 Ų154.382%0.82479%0.787SS**  trans-68.794.7164.4-82.271.7000109.7R152H150-R152 PolarHBondContact O-N 2.7Å
151V38.8Very low40.5Very low131 Ų131153.2 Ų153.279%0.79480%0.795SS**  trans-77.767.4173.4-170.80000110.2R149 R153R149-V151 PolarHBondContact O-N 2.99Å; V151-R153 PolarHBondContact O-N 2.8Å
152R45.9Very low39.9Very low193 Ų193149.1 Ų149.173%0.72879%0.792SS**  trans-71.9109.4174-166.8168.7-175.4157.72.5108H150 M154H150-R152 PolarHBondContact O-N 2.7Å; R152-M154 VanDerWaalsContact C-N 3.26Å; R152-M154 HydrophobicContact CG-CE 4.31Å; R152-M154 HydrophobicContact CG-CG 4.31Å; R152-M154 HydrophobicContact CG-SD 4.01Å; R152-M154 PolarHBondContact O-N 2.66Å
153R47.7Very low39.6Very low238 Ų238145.8 Ų145.890%0.89879%0.793SS**  trans-65.882.8176.7-66.1-171.8-170.9-176.45.1110.5V151V151-R153 PolarHBondContact O-N 2.8Å
154M35.6Very low40Very low115 Ų115145 Ų14557%0.56780%0.795SS**  trans-83.1126.1173.1-65.3-58-141.800110R152R152-M154 VanDerWaalsContact C-N 3.26Å; R152-M154 HydrophobicContact CG-CE 4.31Å; R152-M154 HydrophobicContact CG-CG 4.31Å; R152-M154 HydrophobicContact CG-SD 4.01Å; R152-M154 PolarHBondContact O-N 2.66Å
155F34.6Very low40.1Very low210 Ų210150.5 Ų150.592%0.92181%0.81SS**  trans-67.6131164.6-78-103.8000109.1
156H36.3Very low39.7Very low167 Ų167150.5 Ų150.577%0.77382%0.816SS**  trans-115.8147171.9-77.9-74000111.2
157P40.9Very low39.9Very low125 Ų125157 Ų15781%0.81282%0.823SS**  trans-97148.1-161.236.3-35.8000115.1
158G30.3Very low39.6Very low80 Ų80163.2 Ų163.283%0.82583%0.831SS**  trans88.498.3132.500000119.1
159R39.3Very low38.8Very low261 Ų261163.3 Ų163.399%0.98583%0.832SS**  trans-148.4125.1137.1-159160.8-176144.1-2.2108.3
160G33.9Very low38.6Very low73 Ų73157.6 Ų157.675%0.75382%0.819SS**  trans-143.3156.2-165.900000115.1
161I39.3Very low38.6Very low181 Ų181156.5 Ų156.593%0.92882%0.816SS**  trans-153.8134.8168.1-81.5150.3000103.5
162G31.7Very low38.6Very low80 Ų80157 Ų15783%0.82581%0.809SS**  cis162.3121-9.200000110.4
163G39.2Very low37.9Very low75 Ų75157.1 Ų157.177%0.77382%0.815SS**  trans145.2154.8173.600000114.7
164P50Low37.2Very low126 Ų126151.7 Ų151.782%0.81881%0.809SS**  trans-133.6154.6-148.639.1-21.8000117.7
165R41.9Very low37.2Very low259 Ų259152.2 Ų152.298%0.97782%0.824SS**  trans-161.6173.2137.1-111.4164.1-176.3178.70.6111.2
166A35.1Very low37Very low96 Ų96145.3 Ų145.379%0.79381%0.812SS**  trans-145.5172.1-153.500000115.6
167R41.6Very low36.9Very low251 Ų251142.7 Ų142.795%0.94781%0.812SS**  trans104.9145.7165.9-73.8-169.1164.8-163.6-3.1118.5
168R36.3Very low36.5Very low233 Ų233144.1 Ų144.188%0.87982%0.819SS**  trans-76174.3168.9-56.4176.8175.1-174.5-3.2108.6
169T34.4Very low36.5Very low125 Ų125143.9 Ų143.977%0.76782%0.817SS**  cis-162.3146.448.545.10000115.3
170N38.1Very low36.3Very low113 Ų113134.9 Ų134.960%0.60481%0.805SS**  trans4.7126131.1-173.296.2000118.1
171M40Very low36.4Very low154 Ų154139.7 Ų139.776%0.75981%0.812SS**  trans-147.2151.1143-92.9-53.1-73.500111.1
172H38.2Very low36.3Very low141 Ų141136.5 Ų136.565%0.65381%0.807SS**  trans-106.2160.6170.4-48.8-108.9000108.9
173F31Very low36.4Very low196 Ų196137.5 Ų137.586%0.8680%0.801SS**  trans-139.7148.9164.9-104.7-86.2000111.4
174T32.7Very low36.3Very low124 Ų124139.2 Ų139.276%0.76180%0.801SS**  trans-142.7160.1-178.244.60000110.7
175S35.6Very low35.8Very low126 Ų126137.8 Ų137.888%0.88179%0.794SS**  trans73.6138.3171.9-530000117.3
176G30.4Very low35.8Very low65 Ų65129.6 Ų129.667%0.6778%0.777SS**  cis174.6164.6-9.300000117
177S35.6Very low36.1Very low113 Ų113133.3 Ų133.379%0.7978%0.777SS**  trans51.6111.5149.658.90000122
178T32.7Very low35.9Very low154 Ų154126.2 Ų126.295%0.94577%0.766SS**  175.7141121.325.70000109.9
179G30.4Very low36.2Very low76 Ų76119.9 Ų119.978%0.78476%0.758SS**  cis173.2129.7-16.500000113.8
180G33.2Very low36.4Very low72 Ų72119.3 Ų119.374%0.74275%0.754SS**  trans78.6161.6165.800000117.6
181L37.8Very low36.4Very low173 Ų173124.1 Ų124.191%0.90677%0.765SS**  cis-146.8164.5-6.9-76.3179.1000111.8
182S37.1Very low36.1Very low115 Ų115122.3 Ų122.380%0.80476%0.763SS**  trans-25.6163.8163.6-45.60000118.7
183S32.8Very low37Very low100 Ų100120.8 Ų120.870%0.69977%0.766SS**  cis-157.9135.737.7460000111.8
184S36.9Very low37.3Very low111 Ų111117 Ų11778%0.77676%0.763SS**  66.8147.983.395.90000115.1
185S39Very low37.5Very low96 Ų96118.2 Ų118.267%0.67177%0.765SS**  cis-162.6170.61756.60000115.6
186S42Very low37.7Very low88 Ų88122.7 Ų122.762%0.61576%0.763SS**  trans68.2148.1140.452.10000121.9
187Q42.7Very low38.7Very low173 Ų173127.3 Ų127.381%0.80877%0.767SS**  cis-164.4141.4-6.4-10716023.100108.6
188S37.6Very low39.1Very low102 Ų102128.6 Ų128.671%0.71377%0.771SS**  59.4145.186.493.40000116
189S41.6Very low40.2Very low101 Ų101129.4 Ų129.471%0.70677%0.766SS**  cis179.3168.56-129.30000109.1
190T39.5Very low41.5Very low113 Ų113130.1 Ų130.169%0.69375%0.751SS**  cis-170.3178-17.18.10000110.6
191Y37.3Very low43.1Very low213 Ų213131 Ų13184%0.83574%0.744SS**  trans96.3168.6157.3-83-71000122.8
192T33.8Very low44.3Very low117 Ų117127.8 Ų127.872%0.71873%0.727SS**  trans-132.6-164.7-144.963.60000113.1
193P57.3Low45.6Very low108 Ų108124.9 Ų124.970%0.70171%0.71SS**  cis-138.5178.9-14.540.7-21.6000117.6
194S37.7Very low47.4Very low116 Ų116126 Ų12681%0.81170%0.704SS**  trans63.8115.4147.3-62.30000124.9
195N36.2Very low48.6Very low150 Ų150125.5 Ų125.580%0.80269%0.692SS**  -165.2150.2123.8-142.2-29.8000114.5
196R40.1Very low49.6Very low221 Ų221126.1 Ų126.183%0.83469%0.687SS**  trans31.5144.7161.2-92.8175.7172159.4-0.7124.4
197E50.6Low50.8Low162 Ų162125.7 Ų125.776%0.75768%0.684SS**  trans-71.6139.8173.3-54114.8119.900114.1
198T44.5Very low51.5Low140 Ų140123.1 Ų123.186%0.85967%0.672SS**  trans-132.6124.2136.631.30000106.5D200T198-D200 PolarHBondContact O-N 3.42Å
199M57Low52.1Low171 Ų171124 Ų12484%0.84267%0.668SS**  trans-75.1122.7175.5-76.2-65.9-179.800108.7P201M199-P201 WeakPolarHBondContact O-CD 3.48Å
200D57.3Low52.8Low90 Ų90121.5 Ų121.548%0.48165%0.651SS.*  trans-75.4113.4176.4-175.1-12.9000109.3T198 I202 A203 E204T198-D200 PolarHBondContact O-N 3.42Å; D200-I202 PolarHBondContact O-N 3.49Å; D200-I202 VanDerWaalsContact O-N 3.16Å; D200-I202 VanDerWaalsContact OD1-CB 3.31Å; D200-I202 WeakPolarHBondContact OD1-CB 3.34Å; D200-I202 PolarHBondContact OD1-N 3.3Å; D200-A203 HydrophobicContact CB-CB 4.04Å; D200-A203 WeakPolarHBondContact O-CB 3.34Å; D200-A203 PolarHBondContact O-N 3.28Å; D200-E204 PolarHBondContact O-N 2.98Å
201P67.3Low53.4Low91 Ų91119.1 Ų119.159%0.59165%0.648SS**Hα-helixtrans-64.4-20.9-178.128.1-35.6000112.4M199 L205M199-P201 WeakPolarHBondContact O-CD 3.48Å; P201-L205 PolarHBondContact O-N 3.3Å
202I61.7Low54Low106 Ų106114.7 Ų114.754%0.54464%0.644SS.*Hα-helixtrans-72.4-36.4174.7-54.9177.7000109.9D200 E204 L205 L206D200-I202 PolarHBondContact O-N 3.49Å; D200-I202 VanDerWaalsContact O-N 3.16Å; D200-I202 VanDerWaalsContact OD1-CB 3.31Å; D200-I202 WeakPolarHBondContact OD1-CB 3.34Å; D200-I202 PolarHBondContact OD1-N 3.3Å; I202-E204 VanDerWaalsContact C-N 3.35Å; I202-E204 PolarHBondContact O-N 3.16Å; I202-L205 PolarHBondContact O-N 3.41Å; I202-L206 HydrophobicContact CG2-CD1 3.95Å; I202-L206 HydrophobicContact CG2-CG 4.29Å; I202-L206 WeakPolarHBondContact O-CB 3.46Å; I202-L206 VanDerWaalsContact O-CG 3.24Å; I202-L206 WeakPolarHBondContact O-CG 3.34Å; I202-L206 PolarHBondContact O-N 3.34Å
203A65.8Low54.6Low54 Ų54120.1 Ų120.145%0.44665%0.651SS.*Hα-helixtrans-66.3-35.7176.200000112.3D200 S207D200-A203 HydrophobicContact CB-CB 4.04Å; D200-A203 WeakPolarHBondContact O-CB 3.34Å; D200-A203 PolarHBondContact O-N 3.28Å; A203-S207 WeakPolarHBondContact O-CB 3.49Å; A203-S207 PolarHBondContact O-N 3.35Å
204E68.8Low54.1Low123 Ų123124.7 Ų124.758%0.57565%0.654SS**Hα-helixtrans-67.5-46.6174.5-162.1-175.3152.100111.6D200 I202 L206 S207 Q208D200-E204 PolarHBondContact O-N 2.98Å; I202-E204 VanDerWaalsContact C-N 3.35Å; I202-E204 PolarHBondContact O-N 3.16Å; E204-L206 PolarHBondContact O-N 3.16Å; E204-S207 WeakPolarHBondContact O-CB 3.22Å; E204-S207 PolarHBondContact O-N 3.3Å; E204-S207 VanDerWaalsContact O-N 3.14Å; E204-Q208 WeakPolarHBondContact O-CG 3.48Å; E204-Q208 PolarHBondContact O-N 3.09Å; E204-Q208 PolarHBondContact OE1-NE2 3.3Å
205L63.9Low54.4Low101 Ų101124.2 Ų124.253%0.52966%0.657SS.*Hα-helixtrans-60.4-41.9175.2-76.5166.8000112.4P201 I202 S207 Q208 L209P201-L205 PolarHBondContact O-N 3.3Å; I202-L205 PolarHBondContact O-N 3.41Å; L205-S207 VanDerWaalsContact C-N 3.33Å; L205-Q208 PolarHBondContact O-N 3.43Å; L205-L209 WeakPolarHBondContact O-CB 3.28Å; L205-L209 VanDerWaalsContact O-CG 3.3Å; L205-L209 WeakPolarHBondContact O-CG 3.47Å; L205-L209 PolarHBondContact O-N 3.46Å
206L58.8Low54.6Low108 Ų108121.9 Ų121.957%0.56566%0.659SS**Hα-helixtrans-65.7-35.6174.9-72.5172.3000112.1I202 E204 S210I202-L206 HydrophobicContact CG2-CD1 3.95Å; I202-L206 HydrophobicContact CG2-CG 4.29Å; I202-L206 WeakPolarHBondContact O-CB 3.46Å; I202-L206 VanDerWaalsContact O-CG 3.24Å; I202-L206 WeakPolarHBondContact O-CG 3.34Å; I202-L206 PolarHBondContact O-N 3.34Å; E204-L206 PolarHBondContact O-N 3.16Å; L206-S210 VanDerWaalsContact O-CB 3.29Å; L206-S210 WeakPolarHBondContact O-CB 3.38Å; L206-S210 PolarHBondContact O-N 3.01Å
207S68.1Low54.5Low79 Ų79115.5 Ų115.555%0.55266%0.662SS**Hα-helixtrans-62.5-50.3173-170.40000111.3A203 E204 L205 L209 S210A203-S207 WeakPolarHBondContact O-CB 3.49Å; A203-S207 PolarHBondContact O-N 3.35Å; E204-S207 WeakPolarHBondContact O-CB 3.22Å; E204-S207 PolarHBondContact O-N 3.3Å; E204-S207 VanDerWaalsContact O-N 3.14Å; L205-S207 VanDerWaalsContact C-N 3.33Å; S207-L209 PolarHBondContact O-N 2.91Å; S207-S210 WeakPolarHBondContact O-CB 3.34Å; S207-S210 PolarHBondContact O-N 3.45Å; S207-S210 VanDerWaalsContact O-N 3.13Å; S207-S210 PolarHBondContact O-OG 3.32Å
208Q57.4Low53.9Low119 Ų119111.3 Ų111.356%0.55666%0.662SS**Hα-helixtrans-58.6-44.3177.1-67.3176.218.900111.9E204 L205 S210E204-Q208 WeakPolarHBondContact O-CG 3.48Å; E204-Q208 PolarHBondContact O-N 3.09Å; E204-Q208 PolarHBondContact OE1-NE2 3.3Å; L205-Q208 PolarHBondContact O-N 3.43Å; Q208-S210 PolarHBondContact O-N 2.93Å
209L49.2Very low53.8Low121 Ų121113.1 Ų113.163%0.63466%0.661SS**Hα-helixtrans-68.8-30.4176.6-70.4169.5000113.2L205 S207 G211 V212L205-L209 WeakPolarHBondContact O-CB 3.28Å; L205-L209 VanDerWaalsContact O-CG 3.3Å; L205-L209 WeakPolarHBondContact O-CG 3.47Å; L205-L209 PolarHBondContact O-N 3.46Å; S207-L209 PolarHBondContact O-N 2.91Å; L209-G211 PolarHBondContact O-N 3.39Å; L209-V212 PolarHBondContact O-N 3.09Å
210S56.2Low53.1Low48 Ų48111.4 Ų111.434%0.33665%0.653SS.*Hα-helixtrans-66.1-22.1-179.681.10000113.8L206 S207 Q208 V212L206-S210 VanDerWaalsContact O-CB 3.29Å; L206-S210 WeakPolarHBondContact O-CB 3.38Å; L206-S210 PolarHBondContact O-N 3.01Å; S207-S210 WeakPolarHBondContact O-CB 3.34Å; S207-S210 PolarHBondContact O-N 3.45Å; S207-S210 VanDerWaalsContact O-N 3.13Å; S207-S210 PolarHBondContact O-OG 3.32Å; Q208-S210 PolarHBondContact O-N 2.93Å; S210-V212 VanDerWaalsContact C-N 3.26Å; S210-V212 PolarHBondContact O-N 3.46Å
211G52.4Low52.6Low63 Ų63114.3 Ų114.365%0.64967%0.669SS**G310 helixtrans-67.3-22.5177.200000114.2L209L209-G211 PolarHBondContact O-N 3.39Å
212V49.1Very low51.5Low121 Ų121115.9 Ų115.973%0.73368%0.682SS**G310 helixtrans-82.1-17-169.8-175.60000113.3L209 S210L209-V212 PolarHBondContact O-N 3.09Å; S210-V212 VanDerWaalsContact C-N 3.26Å; S210-V212 PolarHBondContact O-N 3.46Å
213R46.8Very low51.1Low230 Ų230116.8 Ų116.887%0.86870%0.698SS**G310 helixtrans-116.810.2-168.9-70.9-171.4178.6-109.22.5116.9
214R46.7Very low50.8Low204 Ų204117 Ų11777%0.7771%0.706SS**  trans-122.466.8176.2-73-167.1-64.1-98.9-6.3113.3
215A45.2Very low50.4Low106 Ų106115.4 Ų115.488%0.87671%0.706SS**  trans-130.724174.300000113.7
216A41Very low50.9Low102 Ų102113.8 Ų113.884%0.84370%0.703SS**SBendtrans-144109.417500000111.4
217G36.7Very low51.6Low86 Ų86112.4 Ų112.489%0.88771%0.707SS**SBendtrans98.2100.1166.900000117.5
218G37.3Very low52.3Low74 Ų74112.8 Ų112.876%0.76371%0.71SS**  trans9380.6144.500000120
219Q43Very low53.5Low178 Ų178112.4 Ų112.483%0.83271%0.708SS**  trans42.7138.3134.9-63.3-159.9-1.300121
220I43.6Very low55Low135 Ų135111.5 Ų111.569%0.69270%0.703SS**  cis-156.5167.93.121.1-175.9000109.8
221N46.5Very low56.5Low151 Ų151116.2 Ų116.281%0.80772%0.72SS**  trans69.369.8170.1-62.3-6.1000117.1
222S43.8Very low58.3Low124 Ų124119 Ų11987%0.86772%0.716SS**  trans-146.3140.6147.7-71.20000108.5G224S222-G224 PolarHBondContact O-N 3.26Å
223S52.8Low60.2Low126 Ų126117.9 Ų117.988%0.88171%0.706SS**PPolyproline II helixtrans-71.9117-176.8500000111.3
224G59.4Low62.2Low59 Ų59113.5 Ų113.561%0.60870%0.695SS**PPolyproline II helixtrans-66.6167172.100000113S222S222-G224 PolarHBondContact O-N 3.26Å
225P61.7Low64.5Low89 Ų89110 Ų11058%0.57869%0.689SS**PPolyproline II helixtrans-59.4139.3179.926-34.7000111.1
226S73.8Confident66.8Low67 Ų67110.5 Ų110.547%0.46967%0.673SS.*PPolyproline II helixtrans-65148.7-177.6740000111.6S228 Q229 L230S226-S228 PolarHBondContact O-N 3.38Å; S226-S228 VanDerWaalsContact O-N 3.15Å; S226-Q229 WeakPolarHBondContact O-CB 3.49Å; S226-Q229 PolarHBondContact O-N 3.07Å; S226-L230 PolarHBondContact O-N 2.84Å
227A72.8Confident69.3Low79 Ų79110.3 Ų110.365%0.65366%0.658SS**Hα-helixtrans-56.2-33.7179.500000112.9Q229 L230 Q231A227-Q229 VanDerWaalsContact C-N 3.33Å; A227-Q229 PolarHBondContact O-N 3.43Å; A227-L230 PolarHBondContact O-N 2.86Å; A227-Q231 WeakPolarHBondContact O-CB 3.34Å; A227-Q231 PolarHBondContact O-N 3.45Å
228S83.5Confident72Confident87 Ų87112.7 Ų112.761%0.60865%0.646SS**Hα-helixtrans-57.1-44173.2-173.30000112.4S226 Q231 Q232S226-S228 PolarHBondContact O-N 3.38Å; S226-S228 VanDerWaalsContact O-N 3.15Å; S228-Q231 PolarHBondContact O-N 3.2Å; S228-Q232 PolarHBondContact O-N 2.92Å
229Q81.6Confident74.7Confident111 Ų111114.3 Ų114.352%0.51964%0.636SS.*Hα-helixtrans-70.8-35.4-176.9-163.41719.800112.2S226 A227 L233S226-Q229 WeakPolarHBondContact O-CB 3.49Å; S226-Q229 PolarHBondContact O-N 3.07Å; A227-Q229 VanDerWaalsContact C-N 3.33Å; A227-Q229 PolarHBondContact O-N 3.43Å; Q229-L233 PolarHBondContact O-N 3.13Å
230L80.9Confident77Confident102 Ų102111.6 Ų111.653%0.53462%0.623SS.*Hα-helixtrans-66.7-42.1170.3-73.8172.2000111.8S226 A227 Q232 L233 Q234S226-L230 PolarHBondContact O-N 2.84Å; A227-L230 PolarHBondContact O-N 2.86Å; L230-Q232 PolarHBondContact O-N 2.84Å; L230-L233 PolarHBondContact O-N 3.12Å; L230-Q234 PolarHBondContact O-N 2.81Å
231Q88.7Confident79.4Confident146 Ų146113.2 Ų113.268%0.68262%0.621SS**Hα-helixtrans-68-35.1-179.8-168.81622.900112.4A227 S228 Q234 M235A227-Q231 WeakPolarHBondContact O-CB 3.34Å; A227-Q231 PolarHBondContact O-N 3.45Å; S228-Q231 PolarHBondContact O-N 3.2Å; Q231-Q234 PolarHBondContact O-N 3.11Å; Q231-M235 PolarHBondContact O-N 3.26Å; Q231-M235 VanDerWaalsContact O-N 3.08Å
232Q90.4Very high81.5Confident121 Ų121112.1 Ų112.157%0.56561%0.611SS**Hα-helixtrans-65.2-42.4171.9-170.8173.22.700112S228 L230 M235 Q236S228-Q232 PolarHBondContact O-N 2.92Å; L230-Q232 PolarHBondContact O-N 2.84Å; Q232-M235 PolarHBondContact O-N 3.24Å; Q232-Q236 PolarHBondContact O-N 3.14Å
233L88.4Confident83.8Confident99 Ų99113 Ų11352%0.51860%0.601SS.*Hα-helixtrans-62.2-40.5174.1-101.9160.6000112.7Q229 L230 M235 Q236 L237Q229-L233 PolarHBondContact O-N 3.13Å; L230-L233 PolarHBondContact O-N 3.12Å; L233-M235 VanDerWaalsContact C-N 3.34Å; L233-M235 PolarHBondContact O-N 3.29Å; L233-Q236 WeakPolarHBondContact O-CB 3.43Å; L233-Q236 PolarHBondContact O-N 3.13Å; L233-L237 PolarHBondContact O-N 2.9Å; L233-L237 VanDerWaalsContact O-N 3.09Å
234Q89.4Confident85.5Confident138 Ų138109.8 Ų109.865%0.64558%0.582SS**Hα-helixtrans-66.5-36.9177.7-168167.410.800111.9L230 Q231 Q238L230-Q234 PolarHBondContact O-N 2.81Å; Q231-Q234 PolarHBondContact O-N 3.11Å; Q234-Q238 WeakPolarHBondContact O-CB 3.41Å; Q234-Q238 PolarHBondContact O-N 2.97Å
235M93.4Very high86.9Confident130 Ų130112.2 Ų112.264%0.6458%0.578SS**Hα-helixtrans-65.8-42172.6-172.9179.569.500112.2Q231 Q232 L233 Q238 L239Q231-M235 PolarHBondContact O-N 3.26Å; Q231-M235 VanDerWaalsContact O-N 3.08Å; Q232-M235 PolarHBondContact O-N 3.24Å; L233-M235 VanDerWaalsContact C-N 3.34Å; L233-M235 PolarHBondContact O-N 3.29Å; M235-Q238 PolarHBondContact O-N 3.39Å; M235-L239 PolarHBondContact O-N 3.45Å; M235-L239 VanDerWaalsContact O-N 3.11Å
236Q93.8Very high88Confident116 Ų116110.1 Ų110.154%0.54257%0.568SS.*Hα-helixtrans-56.7-52176.5-170.982.937.400111.4Q232 L233 Q238 L239 E240Q232-Q236 PolarHBondContact O-N 3.14Å; L233-Q236 WeakPolarHBondContact O-CB 3.43Å; L233-Q236 PolarHBondContact O-N 3.13Å; Q236-Q238 VanDerWaalsContact C-N 3.29Å; Q236-Q238 PolarHBondContact O-N 2.78Å; Q236-L239 PolarHBondContact O-N 2.96Å; Q236-E240 PolarHBondContact O-N 3.3Å
237L93.8Very high88.5Confident99 Ų99109.4 Ų109.452%0.51857%0.566SS.*Hα-helixtrans-63-32.4179.5-75.3163.9000113.1L233 R241L233-L237 PolarHBondContact O-N 2.9Å; L233-L237 VanDerWaalsContact O-N 3.09Å; L237-R241 PolarHBondContact O-N 3.28Å; L237-R241 VanDerWaalsContact O-N 3.13Å
238Q93.4Very high88.9Confident136 Ų136114.9 Ų114.964%0.63657%0.57SS**Hα-helixtrans-72.4-35.7177.8-173163.7-16.700112.3Q234 M235 Q236 Q242Q234-Q238 WeakPolarHBondContact O-CB 3.41Å; Q234-Q238 PolarHBondContact O-N 2.97Å; M235-Q238 PolarHBondContact O-N 3.39Å; Q236-Q238 VanDerWaalsContact C-N 3.29Å; Q236-Q238 PolarHBondContact O-N 2.78Å; Q238-Q242 PolarHBondContact O-N 3.29Å
239L94.2Very high88.8Confident107 Ų107117.1 Ų117.156%0.5657%0.571SS**Hα-helixtrans-68.3-43.7173.1-173.467.4000111.6M235 Q236 R241 Q242 Q243M235-L239 PolarHBondContact O-N 3.45Å; M235-L239 VanDerWaalsContact O-N 3.11Å; Q236-L239 PolarHBondContact O-N 2.96Å; L239-R241 PolarHBondContact O-N 3.5Å; L239-Q242 WeakPolarHBondContact O-CB 3.2Å; L239-Q242 PolarHBondContact O-N 3.45Å; L239-Q242 VanDerWaalsContact O-N 3.08Å; L239-Q243 PolarHBondContact O-N 2.95Å
240E92.3Very high88.5Confident121 Ų121119 Ų11957%0.56558%0.579SS**Hα-helixtrans-60.5-43.9178.9-168.3-176.8122.500112Q236 Q242 Q243 A244Q236-E240 PolarHBondContact O-N 3.3Å; E240-Q242 VanDerWaalsContact C-N 3.29Å; E240-Q242 PolarHBondContact O-N 3.35Å; E240-Q243 PolarHBondContact O-N 3.09Å; E240-A244 PolarHBondContact O-N 3.01Å
241R92.3Very high88.1Confident170 Ų170118.5 Ų118.564%0.64258%0.581SS**Hα-helixtrans-56.3-40.9172.1-88.1-176.659.9-154.9-4.4112.8L237 L239 Q245L237-R241 PolarHBondContact O-N 3.28Å; L237-R241 VanDerWaalsContact O-N 3.13Å; L239-R241 PolarHBondContact O-N 3.5Å; R241-Q245 WeakPolarHBondContact O-CG 3.39Å; R241-Q245 PolarHBondContact O-N 3.3Å; R241-Q245 VanDerWaalsContact O-N 3.08Å
242Q91.6Very high87.1Confident128 Ų128117.2 Ų117.260%0.59857%0.574SS**Hα-helixtrans-68.9-40.2179.4-173.5171.26500111.4Q238 L239 E240 Q245 A246Q238-Q242 PolarHBondContact O-N 3.29Å; L239-Q242 WeakPolarHBondContact O-CB 3.2Å; L239-Q242 PolarHBondContact O-N 3.45Å; L239-Q242 VanDerWaalsContact O-N 3.08Å; E240-Q242 VanDerWaalsContact C-N 3.29Å; E240-Q242 PolarHBondContact O-N 3.35Å; Q242-Q245 PolarHBondContact O-N 2.56Å; Q242-A246 PolarHBondContact O-N 2.96Å
243Q92.3Very high85.8Confident142 Ų142114.5 Ų114.566%0.66457%0.573SS**Hα-helixtrans-64.1-42.2175.3-170.2173.72.300112L239 E240 Q245 A246 A247L239-Q243 PolarHBondContact O-N 2.95Å; E240-Q243 PolarHBondContact O-N 3.09Å; Q243-Q245 VanDerWaalsContact C-N 3.34Å; Q243-Q245 PolarHBondContact O-N 3.2Å; Q243-A246 PolarHBondContact O-N 3.35Å; Q243-A247 WeakPolarHBondContact O-CB 3.26Å; Q243-A247 PolarHBondContact O-N 3.06Å
244A89Confident84.4Confident58 Ų58111.9 Ų111.948%0.47957%0.57SS.*Hα-helixtrans-64-36175.700000112.9E240 R248E240-A244 PolarHBondContact O-N 3.01Å; A244-R248 PolarHBondContact O-N 3.18Å
245Q87.7Confident82.9Confident111 Ų111113.8 Ų113.852%0.51957%0.571SS.*Hα-helixtrans-68-43.5174-75.3177.1-2800112R241 Q242 Q243 A247 R248 Q249R241-Q245 WeakPolarHBondContact O-CG 3.39Å; R241-Q245 PolarHBondContact O-N 3.3Å; R241-Q245 VanDerWaalsContact O-N 3.08Å; Q242-Q245 PolarHBondContact O-N 2.56Å; Q243-Q245 VanDerWaalsContact C-N 3.34Å; Q243-Q245 PolarHBondContact O-N 3.2Å; Q245-A247 PolarHBondContact O-N 2.91Å; Q245-R248 PolarHBondContact O-N 3.02Å; Q245-Q249 PolarHBondContact O-N 2.97Å
246A85.3Confident81Confident45 Ų45114.5 Ų114.537%0.37257%0.573SS.*Hα-helixtrans-62.6-40.5175.700000112.3Q242 Q243 R248 Q249 Q250Q242-A246 PolarHBondContact O-N 2.96Å; Q243-A246 PolarHBondContact O-N 3.35Å; A246-R248 PolarHBondContact O-N 3.04Å; A246-Q249 PolarHBondContact O-N 2.93Å; A246-Q250 PolarHBondContact O-N 3.23Å
247A84.6Confident79.1Confident52 Ų52112.8 Ų112.843%0.4358%0.578SS.*Hα-helixtrans-61.4-41.1176.400000112.5Q243 Q245 Q249 Q250 V251Q243-A247 WeakPolarHBondContact O-CB 3.26Å; Q243-A247 PolarHBondContact O-N 3.06Å; Q245-A247 PolarHBondContact O-N 2.91Å; A247-Q249 PolarHBondContact O-N 3.08Å; A247-Q250 PolarHBondContact O-N 3.46Å; A247-V251 PolarHBondContact O-N 2.96Å
248R81.2Confident77.3Confident193 Ų193113.8 Ų113.873%0.72859%0.588SS**Hα-helixtrans-60.1-45.3175.1-80.8-174.6169.7-1221.6112.2A244 Q245 A246 Q250 V251 E252A244-R248 PolarHBondContact O-N 3.18Å; Q245-R248 PolarHBondContact O-N 3.02Å; A246-R248 PolarHBondContact O-N 3.04Å; R248-Q250 VanDerWaalsContact C-N 3.27Å; R248-Q250 PolarHBondContact O-N 3.41Å; R248-V251 PolarHBondContact O-N 2.87Å; R248-V251 VanDerWaalsContact O-N 3.16Å; R248-E252 PolarHBondContact O-N 2.66Å
249Q80.6Confident75.2Confident135 Ų135118.2 Ų118.263%0.63160%0.599SS**Hα-helixtrans-60.6-34.9-179.8-68.21765.100112.8Q245 A246 A247 E252 A253Q245-Q249 PolarHBondContact O-N 2.97Å; A246-Q249 PolarHBondContact O-N 2.93Å; A247-Q249 PolarHBondContact O-N 3.08Å; Q249-E252 PolarHBondContact O-N 3.01Å; Q249-A253 WeakPolarHBondContact O-CB 3Å; Q249-A253 PolarHBondContact O-N 3.46Å
250Q75.6Confident72.9Confident149 Ų149124.5 Ų124.570%0.69662%0.616SS**Hα-helixtrans-67.3-41.6176-66.8178.98.100112.4A246 A247 R248 E252 G254A246-Q250 PolarHBondContact O-N 3.23Å; A247-Q250 PolarHBondContact O-N 3.46Å; R248-Q250 VanDerWaalsContact C-N 3.27Å; R248-Q250 PolarHBondContact O-N 3.41Å; Q250-E252 VanDerWaalsContact C-N 3.33Å; Q250-G254 PolarHBondContact O-N 3.34Å; Q250-G254 VanDerWaalsContact O-N 3.16Å
251V72.9Confident70.7Confident93 Ų93121.4 Ų121.456%0.56462%0.616SS**Hα-helixtrans-65.6-37.8175.3177.40000111.3A247 R248 G254 R255A247-V251 PolarHBondContact O-N 2.96Å; R248-V251 PolarHBondContact O-N 2.87Å; R248-V251 VanDerWaalsContact O-N 3.16Å; V251-G254 PolarHBondContact O-N 3.49Å; V251-R255 PolarHBondContact O-N 2.97Å
252E68.3Low68.4Low118 Ų118121.2 Ų121.255%0.55163%0.628SS**Hα-helixtrans-67.9-43.7178.6-148.4126.4-117.700111.6R248 Q249 Q250 G254 R255 H256R248-E252 PolarHBondContact O-N 2.66Å; Q249-E252 PolarHBondContact O-N 3.01Å; Q250-E252 VanDerWaalsContact C-N 3.33Å; E252-G254 VanDerWaalsContact C-N 3.32Å; E252-G254 PolarHBondContact O-N 3.32Å; E252-R255 WeakPolarHBondContact O-CB 2.92Å; E252-R255 PolarHBondContact O-N 3.21Å; E252-R255 VanDerWaalsContact O-N 3.12Å; E252-H256 PolarHBondContact O-CD2 3.08Å; E252-H256 PolarHBondContact O-N 3.34Å
253A62.4Low66Low65 Ų65122.6 Ų122.654%0.53764%0.639SS.*Hα-helixtrans-59-40.5173.300000112.5Q249 R255 H256 A257Q249-A253 WeakPolarHBondContact O-CB 3Å; Q249-A253 PolarHBondContact O-N 3.46Å; A253-R255 VanDerWaalsContact C-N 3.29Å; A253-R255 PolarHBondContact O-N 3.14Å; A253-H256 PolarHBondContact O-N 3.34Å; A253-A257 PolarHBondContact O-N 3.3Å
254G59.1Low63.7Low43 Ų43122 Ų12244%0.44365%0.647SS.*Hα-helixtrans-61.1-33.4175.100000114Q250 V251 E252 T258Q250-G254 PolarHBondContact O-N 3.34Å; Q250-G254 VanDerWaalsContact O-N 3.16Å; V251-G254 PolarHBondContact O-N 3.49Å; E252-G254 VanDerWaalsContact C-N 3.32Å; E252-G254 PolarHBondContact O-N 3.32Å; G254-T258 PolarHBondContact O-OG1 2.83Å
255R57.3Low61.1Low178 Ų178122.7 Ų122.767%0.67266%0.66SS**Hα-helixtrans-72-29.2175.4-77.3179.2152.4152.6-3.9113.5V251 E252 A253 T258V251-R255 PolarHBondContact O-N 2.97Å; E252-R255 WeakPolarHBondContact O-CB 2.92Å; E252-R255 PolarHBondContact O-N 3.21Å; E252-R255 VanDerWaalsContact O-N 3.12Å; A253-R255 VanDerWaalsContact C-N 3.29Å; A253-R255 PolarHBondContact O-N 3.14Å; R255-T258 PolarHBondContact O-OG1 3.26Å
256H54.2Low58.5Low146 Ų146124.3 Ų124.368%0.67667%0.672SS**Hα-helixtrans-75.6-27.1175.9-82.4-83000113.3E252 A253E252-H256 PolarHBondContact O-CD2 3.08Å; E252-H256 PolarHBondContact O-N 3.34Å; A253-H256 PolarHBondContact O-N 3.34Å
257A53.7Low56Low79 Ų79128.1 Ų128.165%0.65369%0.691SS**Hα-helixtrans-67.5-39.9175.600000112.9A253 R259A253-A257 PolarHBondContact O-N 3.3Å; A257-R259 VanDerWaalsContact C-N 3.33Å; A257-R259 PolarHBondContact O-N 2.7Å
258T55.2Low53.4Low120 Ų120129.4 Ų129.474%0.73671%0.709SS**Hα-helixtrans-77.4-13.5-177.329.80000114.2G254 R255G254-T258 PolarHBondContact O-OG1 2.83Å; R255-T258 PolarHBondContact O-OG1 3.26Å
259R49.8Very low51.2Low229 Ų229127.9 Ų127.986%0.86472%0.716SS**THydrogen-bonded Turntrans-95.814.1-176.5-144.5-178.7-174.1-154.70.6114.8A257A257-R259 VanDerWaalsContact C-N 3.33Å; A257-R259 PolarHBondContact O-N 2.7Å
260R45.2Very low48.9Very low240 Ų240127.5 Ų127.591%0.90673%0.728SS**THydrogen-bonded Turntrans-108.29.9-177.4-141.3-178.5-171-161.11.9115.3
261G47Very low47.1Very low55 Ų55128.1 Ų128.157%0.56773%0.734SS**SBendtrans-133.984176.900000112.5
262N44.3Very low46.3Very low167 Ų167128.8 Ų128.889%0.89374%0.74SS**  trans170.4103.6150.6-92.5-12.1000109.7
263N39.9Very low45.5Very low156 Ų156128.9 Ų128.983%0.83475%0.751SS**  trans-158.2102.2165.3-167.431.2000110.7G265N263-G265 PolarHBondContact O-N 3.34Å
264P44.7Very low44.9Very low130 Ų130131 Ų13184%0.84476%0.76SS**  trans-87.3107.7-179.432-30.6000111.7
265G34.6Very low43.7Very low72 Ų72136.4 Ų136.474%0.74278%0.778SS**  trans-130.283.5-178.900000113.1N263N263-G265 PolarHBondContact O-N 3.34Å
266N33.4Very low42.5Very low145 Ų145133.1 Ų133.178%0.77578%0.783SS**  trans-14.9121.3172.5-177.128.4000118.9
267T32.4Very low41.6Very low126 Ų126131.2 Ų131.277%0.77379%0.786SS**  161.9152.8121.438.70000113.2
268G30.3Very low40.7Very low78 Ų78134.7 Ų134.780%0.80479%0.793SS**  trans105.1122.5151.100000118.5
269N33.4Very low39.7Very low162 Ų162132.8 Ų132.887%0.86679%0.79SS**  trans-65.4148.1178.1-58.1-14.2000114.4
270S32.8Very low38.8Very low126 Ų126128.9 Ų128.988%0.88179%0.786SS**  trans-169.9166.2132.9-85.90000113.2
271I38Very low38.1Very low162 Ų162123.3 Ų123.383%0.83178%0.779SS**  trans-104.5150.5-167-78171.8000111.3
272P56.4Low37.3Very low107 Ų107125.8 Ų125.870%0.69579%0.788SS**  trans-80-178.4-173.635.6-40.9000113.9
273P50Low36.6Very low120 Ų120122 Ų12278%0.77978%0.78SS**  -146.7-150.7101.746-27.9000113.1
274P51.5Low36.2Very low111 Ų111121.9 Ų121.972%0.72178%0.784SS**  -139.4-177.9-113.840.9-17.7000118.5
275N32.6Very low35.5Very low155 Ų155119.5 Ų119.583%0.82978%0.783SS**  trans36.8122.8148.9-786000122.8
276S32.6Very low35.3Very low110 Ų110123.7 Ų123.777%0.76979%0.789SS**  -169.2115.7116.814.10000108.5
277S35.8Very low35.2Very low105 Ų105122.5 Ų122.573%0.73479%0.792SS**  61.4134.687.779.60000113.9
278N34.9Very low35.3Very low152 Ų152123.5 Ų123.581%0.81379%0.792SS**  cis-161.3169.114.4-142.1-3000112.5
279A33.6Very low35.8Very low81 Ų81125.2 Ų125.267%0.66979%0.789SS**  trans29.615114200000122.9
280N30.6Very low35.7Very low146 Ų146122 Ų12278%0.78179%0.785SS**  cis-179.7-173.8-23.2-144.9-8.3000106.8
281T30.8Very low35.6Very low123 Ų123121.5 Ų121.576%0.75578%0.782SS**  trans72.5152.9166.777.10000117.4
282S30.8Very low35.7Very low108 Ų108119.7 Ų119.776%0.75578%0.784SS**  cis-166.5159.5-25.2-96.70000111.4
283A29.9Very low34.6Very low88 Ų88119.6 Ų119.673%0.72779%0.785SS**  trans67.5115.4152.500000121.1
284V31.4Very low34Very low152 Ų152122.4 Ų122.492%0.92179%0.788SS**  35.7121.7124.5-172.50000119.3
285G29.7Very low33.3Very low80 Ų80122 Ų12283%0.82579%0.788SS**  trans-166.8112.3158.600000111.7
286D30.7Very low33.8Very low160 Ų160119.5 Ų119.586%0.85678%0.782SS**  trans-96.2130176.3-176.213.6000110.2
287S30.1Very low34.8Very low120 Ų120123.1 Ų123.184%0.83979%0.787SS**  trans-174.3126.9170.8-82.70000112.2
288N35.3Very low35.5Very low148 Ų148127.1 Ų127.179%0.79179%0.791SS**  trans-108.6137.2163.7-165.4-7.9000107.2A290N288-A290 PolarHBondContact OD1-N 2.76Å
289P40.2Very low36.1Very low114 Ų114127.4 Ų127.474%0.7479%0.792SS**  -148.8143.6106.136.5-19.9000116.5
290A32.4Very low36.8Very low93 Ų93130.6 Ų130.677%0.76980%0.797SS**  trans27.5113.1141.700000120.1N288N288-A290 PolarHBondContact OD1-N 2.76Å
291S30.8Very low37.6Very low117 Ų117128.9 Ų128.982%0.81880%0.804SS**  trans-149.8132.3143.730.40000113.3S293S291-S293 PolarHBondContact O-N 2.74Å
292S39.8Very low38.5Very low124 Ų124132.4 Ų132.487%0.86780%0.803SS**  trans-23106.717552.30000119.1
293S33.8Very low39.5Very low104 Ų104135.1 Ų135.173%0.72781%0.808SS**  trans-155.7153.8147.171.10000107.8S291S291-S293 PolarHBondContact O-N 2.74Å
294Q37.1Very low40.6Very low180 Ų180138.3 Ų138.384%0.84181%0.813SS**  cis-134.8162.216.4-69.3174.2-7.700113.6
295S35.8Very low41.7Very low102 Ų102138.2 Ų138.271%0.71380%0.802SS**  trans-50.1152170.9500000118.4
296S42.8Very low42.8Very low102 Ų102138.7 Ų138.771%0.71379%0.791SS**  trans71.698.2144.6-57.40000119.6F298S296-F298 PolarHBondContact O-N 3.48Å
297Q53.7Low44Very low186 Ų186141.2 Ų141.287%0.86979%0.794SS**SBendtrans-74.322.5176.7-64.2177.4-23.200115.6
298F50.9Low45.3Very low189 Ų189139.7 Ų139.783%0.82978%0.775SS**  trans-132.752-171.9-68.7-70.9000113.9S296S296-F298 PolarHBondContact O-N 3.48Å
299L48.4Very low47.3Very low158 Ų158135.5 Ų135.583%0.82776%0.758SS**SBendtrans-128.9102.7163.6-75.1177000111.1
300L47.1Very low49Very low148 Ų148137.2 Ų137.278%0.77576%0.755SS**  trans24.594.2158.1-59.8176.8000117.5R302L300-R302 PolarHBondContact O-N 2.89Å
301A47.8Very low51.3Low111 Ų111135.9 Ų135.992%0.91775%0.745SS**SBendtrans-71.453.5162.600000112.2
302R51.2Low53.9Low197 Ų197134.8 Ų134.874%0.74373%0.727SS**  trans-137.118.2-174.6-81.3-66.4-171.1160.9-0.2114.1L300L300-R302 PolarHBondContact O-N 2.89Å
303L51.4Low55.8Low165 Ų165136.4 Ų136.486%0.86471%0.714SS**  trans-122.649.5170.5-71.3177.1000112.2
304N53.5Low58.1Low154 Ų154136.8 Ų136.882%0.82470%0.704SS**  trans-135.855.4155-166.786.8000109.1
305E53.1Low60.6Low150 Ų150134.7 Ų134.770%0.70169%0.693SS**  trans-64.6137.4156.2-60.7-172.6141.700107.5K307E305-K307 PolarHBondContact O-N 3.13Å
306P53.5Low62.9Low91 Ų91134.2 Ų134.259%0.59168%0.682SS**  trans-60.3137.4171.727.4-33.6000108.7M308P306-M308 HydrophobicContact CB-CG 4.49Å; P306-M308 HydrophobicContact CB-SD 3.75Å; P306-M308 HydrophobicContact CG-CG 4.12Å; P306-M308 HydrophobicContact CG-SD 3.62Å; P306-M308 PolarHBondContact O-N 2.97Å
307K54.6Low64.9Low212 Ų212133.8 Ų133.892%0.92267%0.668SS**  trans-74.170.4172-71.2-175.3176.9-179.30109.7E305 S309E305-K307 PolarHBondContact O-N 3.13Å; K307-S309 PolarHBondContact O-N 2.89Å
308M59.3Low66.7Low89 Ų89126.4 Ų126.444%0.43864%0.642SS.*  trans-53.1135.5169.9-53.5-51.1-69.700108.2P306 E312P306-M308 HydrophobicContact CB-CG 4.49Å; P306-M308 HydrophobicContact CB-SD 3.75Å; P306-M308 HydrophobicContact CG-CG 4.12Å; P306-M308 HydrophobicContact CG-SD 3.62Å; P306-M308 PolarHBondContact O-N 2.97Å; M308-E312 HydrophobicContact CE-CG 3.81Å; M308-E312 VanDerWaalsContact CE-OE1 3.31Å; M308-E312 WeakPolarHBondContact CE-OE1 3.4Å
309S77.3Confident68.7Low60 Ų60120.5 Ų120.542%0.4262%0.617SS.*  trans-68.8155.4-179.668.10000110.8K307 A311 E312 R313K307-S309 PolarHBondContact O-N 2.89Å; S309-A311 PolarHBondContact O-N 2.83Å; S309-E312 PolarHBondContact N-OE2 3.32Å; S309-E312 WeakPolarHBondContact O-CB 3.42Å; S309-E312 PolarHBondContact O-N 3.24Å; S309-E312 WeakPolarHBondContact OG-CB 3.37Å; S309-E312 PolarHBondContact OG-N 2.79Å; S309-E312 PolarHBondContact OG-OE2 2.82Å; S309-R313 PolarHBondContact O-N 3.46Å
310E75.6Confident70.6Confident149 Ų149122.3 Ų122.370%0.69661%0.612SS**Hα-helixtrans-58.1-39.3-179.5-168.4178.7160.200111.8R313 Q314E310-R313 PolarHBondContact O-N 3.49Å; E310-Q314 WeakPolarHBondContact O-CB 3.21Å; E310-Q314 VanDerWaalsContact O-CG 3.27Å; E310-Q314 WeakPolarHBondContact O-CG 3.45Å; E310-Q314 PolarHBondContact O-N 3.42Å
311A80.1Confident72.7Confident66 Ų66117.2 Ų117.255%0.54559%0.592SS.*Hα-helixtrans-64.8-37174.700000113.2S309 Q314 F315S309-A311 PolarHBondContact O-N 2.83Å; A311-Q314 PolarHBondContact O-N 3.08Å; A311-F315 WeakPolarHBondContact O-CB 3.42Å; A311-F315 PolarHBondContact O-N 2.85Å
312E84.7Confident74.8Confident94 Ų94117.1 Ų117.144%0.43958%0.576SS.*Hα-helixtrans-74.7-32.7179.3-170.7174.8-158.600111.6M308 S309 L316M308-E312 HydrophobicContact CE-CG 3.81Å; M308-E312 VanDerWaalsContact CE-OE1 3.31Å; M308-E312 WeakPolarHBondContact CE-OE1 3.4Å; S309-E312 PolarHBondContact N-OE2 3.32Å; S309-E312 WeakPolarHBondContact O-CB 3.42Å; S309-E312 PolarHBondContact O-N 3.24Å; S309-E312 WeakPolarHBondContact OG-CB 3.37Å; S309-E312 PolarHBondContact OG-N 2.79Å; S309-E312 PolarHBondContact OG-OE2 2.82Å; E312-L316 WeakPolarHBondContact O-CG 3.33Å; E312-L316 PolarHBondContact O-N 3.34Å
313R79.6Confident76.8Confident157 Ų157115.2 Ų115.259%0.59257%0.569SS**Hα-helixtrans-64.7-48.5166.2177.5-179.8167.4171.9-2.8111.4S309 E310 F315 L316 E317S309-R313 PolarHBondContact O-N 3.46Å; E310-R313 PolarHBondContact O-N 3.49Å; R313-F315 VanDerWaalsContact C-N 3.28Å; R313-F315 PolarHBondContact O-N 2.8Å; R313-L316 PolarHBondContact O-N 3.08Å; R313-E317 HydrophobicContact CG-CG 4.45Å; R313-E317 IonicContact CZ-OE1 3.74Å; R313-E317 IonicContact NE-OE1 3.74Å; R313-E317 PolarHBondContact NE-OE1 3.45Å; R313-E317 IonicContact NE-OE2 2.66Å; R313-E317 IonicContact NH2-OE1 2.87Å; R313-E317 PolarHBondContact NH2-OE1 2.93Å; R313-E317 WeakPolarHBondContact O-CG 3.15Å; R313-E317 PolarHBondContact O-N 3.36Å
314Q81.8Confident78.6Confident112 Ų112110.2 Ų110.252%0.52355%0.548SS..Hα-helixtrans-59.4-39.1178.1-74.5169.15.500111.6E310 A311 E317 G318E310-Q314 WeakPolarHBondContact O-CB 3.21Å; E310-Q314 VanDerWaalsContact O-CG 3.27Å; E310-Q314 WeakPolarHBondContact O-CG 3.45Å; E310-Q314 PolarHBondContact O-N 3.42Å; A311-Q314 PolarHBondContact O-N 3.08Å; Q314-E317 PolarHBondContact O-N 3.45Å; Q314-G318 PolarHBondContact O-N 3.22Å
315F91.1Very high80.5Confident137 Ų137107.7 Ų107.760%0.60153%0.533SS*.Hα-helixtrans-60.6-46.9173.9-176.4-91000112.3A311 R313 E317 G318 E319A311-F315 WeakPolarHBondContact O-CB 3.42Å; A311-F315 PolarHBondContact O-N 2.85Å; R313-F315 VanDerWaalsContact C-N 3.28Å; R313-F315 PolarHBondContact O-N 2.8Å; F315-E317 VanDerWaalsContact C-N 3.34Å; F315-E317 PolarHBondContact O-N 3.13Å; F315-G318 PolarHBondContact O-N 2.99Å; F315-E319 WeakPolarHBondContact CE1-OE2 3.37Å; F315-E319 PolarHBondContact O-N 3.35Å
316L83.8Confident82.4Confident92 Ų92106.6 Ų106.648%0.48253%0.527SS..Hα-helixtrans-68.9-29.9177.8-69.9170.9000113.2E312 R313 R320E312-L316 WeakPolarHBondContact O-CG 3.33Å; E312-L316 PolarHBondContact O-N 3.34Å; R313-L316 PolarHBondContact O-N 3.08Å; L316-R320 VanDerWaalsContact O-CB 3.26Å; L316-R320 WeakPolarHBondContact O-CB 3.31Å; L316-R320 PolarHBondContact O-N 2.91Å; L316-R320 VanDerWaalsContact O-N 3.16Å
317E85.6Confident84.3Confident93 Ų93106 Ų10644%0.43552%0.521SS..Hα-helixtrans-70.4-37.5171.7-73.9175.2166.900111.4R313 Q314 F315 R320 A321R313-E317 HydrophobicContact CG-CG 4.45Å; R313-E317 IonicContact CZ-OE1 3.74Å; R313-E317 IonicContact NE-OE1 3.74Å; R313-E317 PolarHBondContact NE-OE1 3.45Å; R313-E317 IonicContact NE-OE2 2.66Å; R313-E317 IonicContact NH2-OE1 2.87Å; R313-E317 PolarHBondContact NH2-OE1 2.93Å; R313-E317 WeakPolarHBondContact O-CG 3.15Å; R313-E317 PolarHBondContact O-N 3.36Å; Q314-E317 PolarHBondContact O-N 3.45Å; F315-E317 VanDerWaalsContact C-N 3.34Å; F315-E317 PolarHBondContact O-N 3.13Å; E317-R320 PolarHBondContact O-N 2.81Å; E317-A321 PolarHBondContact O-N 2.99Å
318G90.9Very high85.8Confident30 Ų30101.4 Ų101.431%0.30950%0.503SS..Hα-helixtrans-63.4-53.5170.600000113.1Q314 F315 R320 A321 D322Q314-G318 PolarHBondContact O-N 3.22Å; F315-G318 PolarHBondContact O-N 2.99Å; G318-R320 PolarHBondContact O-N 2.77Å; G318-A321 WeakPolarHBondContact O-CA 3.37Å; G318-A321 WeakPolarHBondContact O-CB 3.27Å; G318-A321 PolarHBondContact O-N 3.46Å; G318-D322 PolarHBondContact O-N 3.24Å
319E92.8Very high87.2Confident66 Ų66103 Ų10331%0.30851%0.51SS..Hα-helixtrans-58.6-26.4177.7-166.3-172.5117.600112.2F315 R323F315-E319 WeakPolarHBondContact CE1-OE2 3.37Å; F315-E319 PolarHBondContact O-N 3.35Å; E319-R323 WeakPolarHBondContact O-CG 3.42Å; E319-R323 PolarHBondContact O-N 3.36Å; E319-R323 IonicContact OE1-CZ 3.64Å; E319-R323 IonicContact OE1-NH1 3.45Å; E319-R323 PolarHBondContact OE1-NH1 2.87Å; E319-R323 IonicContact OE1-NH2 3.83Å; E319-R323 PolarHBondContact OE1-NH2 3.22Å
320R87.9Confident87.8Confident195 Ų195104.6 Ų104.674%0.73651%0.513SS*.Hα-helixtrans-78.2-39.2172.9-170.3178.5-168.4170.63.3112.7L316 E317 G318 S324L316-R320 VanDerWaalsContact O-CB 3.26Å; L316-R320 WeakPolarHBondContact O-CB 3.31Å; L316-R320 PolarHBondContact O-N 2.91Å; L316-R320 VanDerWaalsContact O-N 3.16Å; E317-R320 PolarHBondContact O-N 2.81Å; G318-R320 PolarHBondContact O-N 2.77Å; R320-S324 PolarHBondContact O-N 3.35Å
321A91.2Very high88.4Confident42 Ų42102.3 Ų102.335%0.34751%0.505SS..Hα-helixtrans-62.6-49.6173.800000110.9E317 G318 R323 S324 L325E317-A321 PolarHBondContact O-N 2.99Å; G318-A321 WeakPolarHBondContact O-CA 3.37Å; G318-A321 WeakPolarHBondContact O-CB 3.27Å; G318-A321 PolarHBondContact O-N 3.46Å; A321-R323 VanDerWaalsContact C-N 3.33Å; A321-R323 PolarHBondContact O-N 3.05Å; A321-S324 WeakPolarHBondContact O-CA 3.39Å; A321-S324 PolarHBondContact O-N 2.75Å; A321-S324 PolarHBondContact O-OG 3.5Å; A321-L325 PolarHBondContact O-N 3.34Å
322D92.4Very high88.5Confident109 Ų109104.5 Ų104.558%0.58351%0.507SS*.Hα-helixtrans-56.5-45.4178.3-64.3-23.1000111.8G318 S324 L325 F326G318-D322 PolarHBondContact O-N 3.24Å; D322-S324 VanDerWaalsContact C-N 3.33Å; D322-S324 PolarHBondContact O-N 2.82Å; D322-L325 PolarHBondContact O-N 3.08Å; D322-F326 PolarHBondContact O-N 3.23Å
323R91.9Very high88.2Confident157 Ų157103.3 Ų103.359%0.59251%0.509SS*.Hα-helixtrans-62.8-36.6174-77.6-174.1-175.3115.47.6113.1E319 A321 V327E319-R323 WeakPolarHBondContact O-CG 3.42Å; E319-R323 PolarHBondContact O-N 3.36Å; E319-R323 IonicContact OE1-CZ 3.64Å; E319-R323 IonicContact OE1-NH1 3.45Å; E319-R323 PolarHBondContact OE1-NH1 2.87Å; E319-R323 IonicContact OE1-NH2 3.83Å; E319-R323 PolarHBondContact OE1-NH2 3.22Å; A321-R323 VanDerWaalsContact C-N 3.33Å; A321-R323 PolarHBondContact O-N 3.05Å; R323-V327 VanDerWaalsContact O-CG2 3.31Å; R323-V327 WeakPolarHBondContact O-CG2 3.48Å; R323-V327 PolarHBondContact O-N 3.35Å; R323-V327 VanDerWaalsContact O-N 3.11Å
324S90Very high88.1Confident59 Ų5999.4 Ų99.441%0.41350%0.503SS..Hα-helixtrans-70.3-38.6178.471.10000112.3R320 A321 D322 V327 Q328R320-S324 PolarHBondContact O-N 3.35Å; A321-S324 WeakPolarHBondContact O-CA 3.39Å; A321-S324 PolarHBondContact O-N 2.75Å; A321-S324 PolarHBondContact O-OG 3.5Å; D322-S324 VanDerWaalsContact C-N 3.33Å; D322-S324 PolarHBondContact O-N 2.82Å; S324-V327 PolarHBondContact O-N 3.11Å; S324-Q328 WeakPolarHBondContact O-CG 3.47Å; S324-Q328 PolarHBondContact O-N 3.29Å
325L92.8Very high87.8Confident101 Ų10199.1 Ų99.153%0.52950%0.504SS..Hα-helixtrans-64.2-47.1174-69.4170.4000111.1A321 D322 V327 Q328 E329A321-L325 PolarHBondContact O-N 3.34Å; D322-L325 PolarHBondContact O-N 3.08Å; L325-V327 VanDerWaalsContact C-N 3.3Å; L325-V327 PolarHBondContact O-N 3.19Å; L325-Q328 WeakPolarHBondContact O-CB 3.42Å; L325-Q328 PolarHBondContact O-N 3.05Å; L325-Q328 VanDerWaalsContact O-N 3.11Å; L325-E329 WeakPolarHBondContact O-CB 3.4Å; L325-E329 PolarHBondContact O-N 3.19Å
326F94.3Very high86.8Confident128 Ų12898.8 Ų98.856%0.56151%0.506SS*.Hα-helixtrans-59.3-39176.3176.9-102.2000112.8D322 L330D322-F326 PolarHBondContact O-N 3.23Å; F326-L330 VanDerWaalsContact O-CB 3.27Å; F326-L330 WeakPolarHBondContact O-CB 3.43Å; F326-L330 PolarHBondContact O-N 2.69Å
327V92.9Very high85.6Confident79 Ų79101.4 Ų101.448%0.47952%0.515SS..Hα-helixtrans-69.8-34.9176.1169.70000111.9R323 S324 L325 L331R323-V327 VanDerWaalsContact O-CG2 3.31Å; R323-V327 WeakPolarHBondContact O-CG2 3.48Å; R323-V327 PolarHBondContact O-N 3.35Å; R323-V327 VanDerWaalsContact O-N 3.11Å; S324-V327 PolarHBondContact O-N 3.11Å; L325-V327 VanDerWaalsContact C-N 3.3Å; L325-V327 PolarHBondContact O-N 3.19Å; V327-L331 HydrophobicContact CG1-CD1 4.3Å; V327-L331 WeakPolarHBondContact O-CB 3.5Å; V327-L331 PolarHBondContact O-N 2.73Å
328Q84.9Confident84Confident114 Ų114104.4 Ų104.453%0.53353%0.53SS..Hα-helixtrans-67.6-44.7172.8-74.7174.5-21.100111.9S324 L325 L330 L331 L332S324-Q328 WeakPolarHBondContact O-CG 3.47Å; S324-Q328 PolarHBondContact O-N 3.29Å; L325-Q328 WeakPolarHBondContact O-CB 3.42Å; L325-Q328 PolarHBondContact O-N 3.05Å; L325-Q328 VanDerWaalsContact O-N 3.11Å; Q328-L330 VanDerWaalsContact C-N 3.35Å; Q328-L330 PolarHBondContact O-N 2.99Å; Q328-L331 PolarHBondContact O-N 3.01Å; Q328-L332 WeakPolarHBondContact O-CB 3.29Å; Q328-L332 VanDerWaalsContact O-CG 3.3Å; Q328-L332 WeakPolarHBondContact O-CG 3.3Å; Q328-L332 PolarHBondContact O-N 2.94Å
329E89.9Confident82.1Confident124 Ų124111.3 Ų111.358%0.57955%0.554SS**Hα-helixtrans-61.3-41.7175.8-174.8178.2-162.100111.6L325 L332 S333L325-E329 WeakPolarHBondContact O-CB 3.4Å; L325-E329 PolarHBondContact O-N 3.19Å; E329-L332 PolarHBondContact O-N 2.93Å; E329-S333 VanDerWaalsContact O-CB 3.24Å; E329-S333 WeakPolarHBondContact O-CB 3.38Å; E329-S333 PolarHBondContact O-N 3.31Å; E329-S333 PolarHBondContact O-OG 3.18Å
330L90.4Very high79.8Confident93 Ų93112.8 Ų112.849%0.48757%0.571SS.*Hα-helixtrans-64.5-41.1174.9-178.263.2000112.3F326 Q328 T334F326-L330 VanDerWaalsContact O-CB 3.27Å; F326-L330 WeakPolarHBondContact O-CB 3.43Å; F326-L330 PolarHBondContact O-N 2.69Å; Q328-L330 VanDerWaalsContact C-N 3.35Å; Q328-L330 PolarHBondContact O-N 2.99Å; L330-T334 WeakPolarHBondContact O-CB 3.36Å; L330-T334 PolarHBondContact O-N 3.49Å; L330-T334 PolarHBondContact O-OG1 3.26Å
331L87.5Confident77.7Confident101 Ų101108.5 Ų108.553%0.52957%0.571SS.*Hα-helixtrans-63.3-49.7174.5-90.8163.1000111.6V327 Q328 S333 T334 L335V327-L331 HydrophobicContact CG1-CD1 4.3Å; V327-L331 WeakPolarHBondContact O-CB 3.5Å; V327-L331 PolarHBondContact O-N 2.73Å; Q328-L331 PolarHBondContact O-N 3.01Å; L331-S333 VanDerWaalsContact C-N 3.34Å; L331-S333 PolarHBondContact O-N 3.28Å; L331-T334 PolarHBondContact O-N 2.93Å; L331-T334 VanDerWaalsContact O-N 3.17Å; L331-L335 WeakPolarHBondContact O-CG 3.34Å; L331-L335 PolarHBondContact O-N 3.38Å
332L81.4Confident75.1Confident111 Ų111112.2 Ų112.258%0.58159%0.594SS**Hα-helixtrans-59.5-45177.3-71.6166.2000111.3Q328 E329 T334 L335 M336Q328-L332 WeakPolarHBondContact O-CB 3.29Å; Q328-L332 VanDerWaalsContact O-CG 3.3Å; Q328-L332 WeakPolarHBondContact O-CG 3.3Å; Q328-L332 PolarHBondContact O-N 2.94Å; E329-L332 PolarHBondContact O-N 2.93Å; L332-T334 VanDerWaalsContact C-N 3.29Å; L332-T334 PolarHBondContact O-N 3.44Å; L332-L335 PolarHBondContact O-N 3.09Å; L332-M336 WeakPolarHBondContact O-CB 3.36Å; L332-M336 VanDerWaalsContact O-CG 3.23Å; L332-M336 WeakPolarHBondContact O-CG 3.31Å; L332-M336 PolarHBondContact O-N 3.28Å
333S80Confident72.5Confident69 Ų69112.3 Ų112.348%0.48360%0.604SS.*Hα-helixtrans-61.7-35.7176.3-59.80000112.5E329 L331 H337E329-S333 VanDerWaalsContact O-CB 3.24Å; E329-S333 WeakPolarHBondContact O-CB 3.38Å; E329-S333 PolarHBondContact O-N 3.31Å; E329-S333 PolarHBondContact O-OG 3.18Å; L331-S333 VanDerWaalsContact C-N 3.34Å; L331-S333 PolarHBondContact O-N 3.28Å; S333-H337 WeakPolarHBondContact O-CB 3.24Å; S333-H337 PolarHBondContact O-N 3.3Å
334T76.4Confident69.8Low76 Ų76112.8 Ų112.847%0.46662%0.618SS.*Hα-helixtrans-70.6-47.7176.8-54.60000110.7L330 L331 L332 M336 H337 E338L330-T334 WeakPolarHBondContact O-CB 3.36Å; L330-T334 PolarHBondContact O-N 3.49Å; L330-T334 PolarHBondContact O-OG1 3.26Å; L331-T334 PolarHBondContact O-N 2.93Å; L331-T334 VanDerWaalsContact O-N 3.17Å; L332-T334 VanDerWaalsContact C-N 3.29Å; L332-T334 PolarHBondContact O-N 3.44Å; T334-M336 PolarHBondContact O-N 3.4Å; T334-H337 WeakPolarHBondContact O-CB 3.39Å; T334-H337 PolarHBondContact O-N 3.15Å; T334-E338 PolarHBondContact O-N 3.44Å
335L74.8Confident67.8Low106 Ų106118.9 Ų118.956%0.55564%0.64SS**Hα-helixtrans-61.9-43.2179.8-69.1165.6000112.1L331 L332 H337 E338L331-L335 WeakPolarHBondContact O-CG 3.34Å; L331-L335 PolarHBondContact O-N 3.38Å; L332-L335 PolarHBondContact O-N 3.09Å; L335-H337 PolarHBondContact O-N 3.33Å; L335-E338 PolarHBondContact O-N 3.26Å
336M71.2Confident65.3Low130 Ų130121.3 Ų121.364%0.6465%0.654SS**Hα-helixtrans-63.8-20.1175.5-67.8-12468.900113.5L332 T334 S340L332-M336 WeakPolarHBondContact O-CB 3.36Å; L332-M336 VanDerWaalsContact O-CG 3.23Å; L332-M336 WeakPolarHBondContact O-CG 3.31Å; L332-M336 PolarHBondContact O-N 3.28Å; T334-M336 PolarHBondContact O-N 3.4Å; M336-S340 PolarHBondContact O-OG 2.93Å
337H57.7Low62.7Low146 Ų146122.1 Ų122.168%0.67666%0.659SS**Hα-helixtrans-88.8-16.8-177.6-148-55.1000113.5S333 T334 L335S333-H337 WeakPolarHBondContact O-CB 3.24Å; S333-H337 PolarHBondContact O-N 3.3Å; T334-H337 WeakPolarHBondContact O-CB 3.39Å; T334-H337 PolarHBondContact O-N 3.15Å; L335-H337 PolarHBondContact O-N 3.33Å
338E53.4Low60.7Low157 Ų157129.9 Ų129.973%0.73468%0.68SS**Hα-helixtrans-80.7-33.8174.1-61.8-159.4144.500112.1T334 L335 S340T334-E338 PolarHBondContact O-N 3.44Å; L335-E338 PolarHBondContact O-N 3.26Å; E338-S340 PolarHBondContact O-N 2.99Å; E338-S340 VanDerWaalsContact O-N 3.09Å
339E49.7Very low58.6Low174 Ų174133.5 Ų133.581%0.81369%0.689SS**THydrogen-bonded Turntrans-62-17.1176.4-63.8-99.2118.200113.6
340S44.6Very low56.4Low98 Ų98134.5 Ų134.569%0.68570%0.698SS**THydrogen-bonded Turntrans-947.7-171.4-63.10000115M336 E338M336-S340 PolarHBondContact O-OG 2.93Å; E338-S340 PolarHBondContact O-N 2.99Å; E338-S340 VanDerWaalsContact O-N 3.09Å
341S45Very low53.9Low104 Ų104138.3 Ų138.373%0.72771%0.711SS**SBendtrans-143.150.5-169.1-172.90000116
342S35.1Very low51.9Low120 Ų120138.2 Ų138.284%0.83973%0.725SS**  trans-149.183.3160.9-174.40000112.5
343S38.1Very low50.1Low111 Ų111139.1 Ų139.178%0.77673%0.73SS**  trans-87.2118.6169.157.60000111.3
344D36.5Very low48Very low168 Ų168143.2 Ų143.290%0.89874%0.739SS**  trans-158.8148.8148.7-95.9-34.8000108.1
345E47.5Very low46.7Very low186 Ų186143.4 Ų143.487%0.86976%0.757SS**  trans-105.2175.9-169.3-59.6-159.9126.900114
346D40.2Very low45.3Very low152 Ų152142.7 Ų142.781%0.81377%0.766SS**  trans63.392.7169.3-79.1-35.5000119.5
347E40.6Very low43.9Very low146 Ų146143.6 Ų143.668%0.68277%0.771SS**  -152125.1108.4-106.3-144.379.500112.2R349E347-R349 PolarHBondContact O-N 3.32Å; E347-R349 IonicContact OE1-CZ 3.18Å; E347-R349 IonicContact OE1-NE 2.74Å; E347-R349 PolarHBondContact OE1-NE 2.75Å; E347-R349 IonicContact OE1-NH2 2.7Å; E347-R349 PolarHBondContact OE1-NH2 3.37Å; E347-R349 IonicContact OE2-CZ 3.65Å; E347-R349 IonicContact OE2-NE 3.75Å; E347-R349 IonicContact OE2-NH2 2.76Å; E347-R349 PolarHBondContact OE2-NH2 3.13Å
348R49.5Very low43.4Very low241 Ų241140.6 Ų140.691%0.90978%0.779SS**  trans-76.2104.5170.2-78.1178.1162.4-143.9-2.2110.6
349R40.8Very low43.2Very low191 Ų191138.1 Ų138.172%0.72178%0.778SS**  trans-130.5138161-62.9-168.7-168.7-17012.1112.1E347E347-R349 PolarHBondContact O-N 3.32Å; E347-R349 IonicContact OE1-CZ 3.18Å; E347-R349 IonicContact OE1-NE 2.74Å; E347-R349 PolarHBondContact OE1-NE 2.75Å; E347-R349 IonicContact OE1-NH2 2.7Å; E347-R349 PolarHBondContact OE1-NH2 3.37Å; E347-R349 IonicContact OE2-CZ 3.65Å; E347-R349 IonicContact OE2-NE 3.75Å; E347-R349 IonicContact OE2-NH2 2.76Å; E347-R349 PolarHBondContact OE2-NH2 3.13Å
350D44.6Very low43Very low144 Ų144136.1 Ų136.177%0.7778%0.778SS**  trans-63.8136.5-174.7-166.3-1.9000111.3A352D350-A352 PolarHBondContact OD1-N 2.92Å
351F36.7Very low42.9Very low174 Ų174138.2 Ų138.276%0.76378%0.781SS**  trans-147.441.8178.1-131.2-77000112.7D353F351-D353 PolarHBondContact O-N 3.5Å
352A45.8Very low43.1Very low99 Ų99140.8 Ų140.882%0.81879%0.785SS**  trans-74.839.9175.300000114.4D350D350-A352 PolarHBondContact OD1-N 2.92Å
353D44.1Very low43.3Very low129 Ų129141 Ų14169%0.6977%0.774SS**  trans-151.395.8167.5-166.211.5000113.3F351F351-D353 PolarHBondContact O-N 3.5Å
354F35.9Very low44.2Very low155 Ų155139.4 Ų139.468%0.6876%0.761SS**  trans-14839.3157.6-151.9-103000111.5A356 M357F354-A356 PolarHBondContact O-N 3.42Å; F354-M357 HydrophobicContact CD1-CB 4.46Å; F354-M357 HydrophobicContact CE1-CB 3.91Å; F354-M357 HydrophobicContact CE1-CG 4.24Å; F354-M357 HydrophobicContact CE1-SD 4.22Å; F354-M357 HydrophobicContact CZ-SD 4.32Å
355G48.9Very low44.8Very low81 Ų81137.6 Ų137.684%0.83575%0.751SS**THydrogen-bonded Turntrans-79.536.5-174.100000115.2
356A45.9Very low44.9Very low91 Ų91134.8 Ų134.875%0.75274%0.742SS**THydrogen-bonded Turntrans-146.624.3-166.800000115.9F354F354-A356 PolarHBondContact O-N 3.42Å
357M41.8Very low45.7Very low148 Ų148130.2 Ų130.273%0.72972%0.719SS**  trans-111.5111.5173.4-144.571.8166.700109.7F354 C359F354-M357 HydrophobicContact CD1-CB 4.46Å; F354-M357 HydrophobicContact CE1-CB 3.91Å; F354-M357 HydrophobicContact CE1-CG 4.24Å; F354-M357 HydrophobicContact CE1-SD 4.22Å; F354-M357 HydrophobicContact CZ-SD 4.32Å; M357-C359 PolarHBondContact O-N 2.93Å
358G47.7Very low46.3Very low83 Ų83125.6 Ų125.686%0.85671%0.706SS**  trans-73.384.9-173.700000113.5
359C48.8Very low46.4Very low106 Ų106119.6 Ų119.672%0.71669%0.691SS**  trans-68131.4163.453.90000110M357 D361M357-C359 PolarHBondContact O-N 2.93Å; C359-D361 PolarHBondContact O-N 3.39Å
360V44.8Very low47.1Very low132 Ų132118.3 Ų118.380%0.869%0.694SS**  trans-74.6122.5168.7179.20000107.6I362V360-I362 PolarHBondContact O-N 3.18Å
361D41.8Very low47.6Very low141 Ų141116.5 Ų116.575%0.75468%0.684SS**  trans-62.998.7178.9-73.1-52.4000111.2C359 M363C359-D361 PolarHBondContact O-N 3.39Å; D361-M363 PolarHBondContact O-N 2.93Å
362I49.5Very low48.1Very low159 Ų159114.1 Ų114.182%0.81568%0.679SS**  trans-73.496.3168.2-59.4176.9000107.1V360V360-I362 PolarHBondContact O-N 3.18Å
363M40.3Very low48.5Very low123 Ų123117.2 Ų117.261%0.60668%0.676SS**  trans-58.6130.6177-65.7-162.876.500110.7D361 V367D361-M363 PolarHBondContact O-N 2.93Å; M363-V367 HydrophobicContact CE-CB 4.11Å; M363-V367 HydrophobicContact CE-CG1 3.54Å
364P56.8Low48.3Very low79 Ų79119.1 Ų119.151%0.51369%0.685SS.*  trans-56.2139.9172.7-26.335.3000111.7D366 V367P364-D366 PolarHBondContact O-N 3.14Å; P364-D366 VanDerWaalsContact O-N 3.08Å; P364-V367 PolarHBondContact O-N 2.94Å
365L48.2Very low48.8Very low129 Ų129123.3 Ų123.368%0.67570%0.697SS**Hα-helixtrans-55.7-32.1-173.5-172.863.3000112.9V367 A368 L369L365-V367 VanDerWaalsContact C-N 3.27Å; L365-V367 PolarHBondContact O-N 2.88Å; L365-A368 WeakPolarHBondContact O-CB 3.34Å; L365-A368 PolarHBondContact O-N 3.44Å; L365-A368 VanDerWaalsContact O-N 3.15Å; L365-L369 PolarHBondContact O-N 3.42Å; L365-L369 VanDerWaalsContact O-N 3.12Å
366D49.8Very low48.3Very low127 Ų127128.2 Ų128.268%0.67970%0.698SS**Hα-helixtrans-57.3-38.9177.5-46-38.5000112.2P364 L369 E370P364-D366 PolarHBondContact O-N 3.14Å; P364-D366 VanDerWaalsContact O-N 3.08Å; D366-L369 PolarHBondContact O-N 2.96Å; D366-E370 PolarHBondContact O-N 3.16Å
367V57.9Low47.8Very low56 Ų56128.3 Ų128.334%0.33969%0.693SS.*Hα-helixtrans-78.4-29.1-179.8-168.40000111.3M363 P364 L365 L369 N371M363-V367 HydrophobicContact CE-CB 4.11Å; M363-V367 HydrophobicContact CE-CG1 3.54Å; P364-V367 PolarHBondContact O-N 2.94Å; L365-V367 VanDerWaalsContact C-N 3.27Å; L365-V367 PolarHBondContact O-N 2.88Å; V367-L369 VanDerWaalsContact C-N 3.34Å; V367-N371 PolarHBondContact O-ND2 3.49Å
368A51.8Low47.5Very low49 Ų49127 Ų12741%0.40570%0.699SS.*Hα-helixtrans-67.7-35.5173.300000111.8L365L365-A368 WeakPolarHBondContact O-CB 3.34Å; L365-A368 PolarHBondContact O-N 3.44Å; L365-A368 VanDerWaalsContact O-N 3.15Å
369L53.1Low46.9Very low115 Ų115129 Ų12960%0.60270%0.7SS**Hα-helixtrans-70.3-36.1177.5-73.3167.8000113.1L365 D366 V367 N371 L372L365-L369 PolarHBondContact O-N 3.42Å; L365-L369 VanDerWaalsContact O-N 3.12Å; D366-L369 PolarHBondContact O-N 2.96Å; V367-L369 VanDerWaalsContact C-N 3.34Å; L369-N371 VanDerWaalsContact C-N 3.27Å; L369-N371 PolarHBondContact O-N 3.21Å; L369-L372 PolarHBondContact O-N 3.36Å
370E54.6Low46.3Very low165 Ų165129.6 Ų129.677%0.77171%0.705SS**Hα-helixtrans-70.5-21.9-179.6-162.8168.4-136.600113.4D366 L372D366-E370 PolarHBondContact O-N 3.16Å; E370-L372 VanDerWaalsContact C-N 3.35Å
371N55Low46.2Very low105 Ų105126.9 Ų126.956%0.56170%0.704SS**THydrogen-bonded Turntrans-79.9-10.2177.6-80.8-81000114.5V367 L369V367-N371 PolarHBondContact O-ND2 3.49Å; L369-N371 VanDerWaalsContact C-N 3.27Å; L369-N371 PolarHBondContact O-N 3.21Å
372L48.2Very low45.9Very low125 Ų125132.5 Ų132.565%0.65471%0.714SS**SBendtrans-10298.4175.9-72.6167.5000109.9L369 E370 L374L369-L372 PolarHBondContact O-N 3.36Å; E370-L372 VanDerWaalsContact C-N 3.35Å; L372-L374 PolarHBondContact O-N 2.99Å
373Q52.9Low45.8Very low164 Ų164133.6 Ų133.677%0.76672%0.716SS**  trans-72.368.1-177.1-6790.724.700114.4R375Q373-R375 PolarHBondContact O-N 3.44Å
374L41.2Very low46.7Very low168 Ų168132.9 Ų132.988%0.8872%0.72SS**  trans-89.481.3165.4-69.7177.8000110.3L372L372-L374 PolarHBondContact O-N 2.99Å
375R44.8Very low46.9Very low244 Ų244134.8 Ų134.892%0.92173%0.732SS**  trans-10484.7178.8-114.3-168.6168.8-137.5-2.6112.4Q373Q373-R375 PolarHBondContact O-N 3.44Å
376E38.5Very low47.6Very low183 Ų183134.2 Ų134.286%0.85574%0.736SS**  trans-133.396.7159.8-72.2-166.5123.500108.4
377S35.3Very low47.7Very low94 Ų94133.8 Ų133.866%0.65774%0.741SS**  77.869.878.9740000115.2
378S36.9Very low47.8Very low121 Ų121137.1 Ų137.185%0.84676%0.763SS**  trans42.6121.7137.4620000120.5
379S35.6Very low47.7Very low125 Ų125146.8 Ų146.887%0.87481%0.807SS**  trans-142.2154.2143.862.30000112.5
380S34.4Very low47.4Very low118 Ų118148.4 Ų148.483%0.82582%0.817SS**  trans-74.8125.8-161.651.70000116.2
381G43.6Very low47Very low75 Ų75147.5 Ų147.577%0.77382%0.82SS**  trans39.9124.5130.200000121.7
382R36.5Very low46.6Very low258 Ų258149.8 Ų149.897%0.97483%0.834SS**  trans-145.9141.7146.4-106.8173.8-176.4-174.7-0.2110.5
383E46.2Very low46.5Very low183 Ų183151.3 Ų151.386%0.85585%0.845SS**PPolyproline II helixtrans-82.6143.6-178.8-170.6177.6172.200110.9
384P59.8Low46.1Very low108 Ų108150.5 Ų150.570%0.70185%0.849SS**PPolyproline II helixtrans-76.8142.618030.9-34.8000112.2
385P61.4Low46.4Very low118 Ų118149.3 Ų149.377%0.76685%0.847SS**PPolyproline II helixtrans-74.4152.1175.631.6-35000112.3
386P62.4Low46.5Very low117 Ų117142.6 Ų142.676%0.7684%0.842SS**PPolyproline II helixtrans-72.2158178.630.7-36000113
387P51.8Low47.2Very low118 Ų118139.5 Ų139.577%0.76684%0.841SS**PPolyproline II helixtrans-72.2153-179.430.7-36.1000113
388P60.3Low48.1Very low126 Ų126143.3 Ų143.382%0.81886%0.857SS**PPolyproline II helixtrans-72159.2169.732.1-34.9000112.3
389L48.8Very low49.2Very low252 Ų252145.3 Ų145.3100%1.31986%0.857SS**  trans-83.40176.6-66.7166.9000112.6

Retrieved 389 of 389 residues in 55.9 ms (Link to these results)

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