A0A3Q0KRQ5_SCHMA Loading...

Two-pore calcium channel, putative

AlphaFold DB , UniProt , Accession A0A3Q0KRQ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 777 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
1M36.9Very low38.6Very low240 Ų240119.2 Ų119.2100%1.18268%0.68SS**  030.40-94.1173.1172.300112
2T39.3Very low40.5Very low127 Ų127117.5 Ų117.578%0.77967%0.667SS**  trans-117.69.7-165.14.90000113.7
3F35.5Very low42.2Very low205 Ų205118.8 Ų118.890%0.89966%0.664SS**SBendtrans-105.96.1-176.4-97.2-83.5000114.6
4L33.6Very low44.9Very low152 Ų152118.6 Ų118.680%0.79666%0.661SS**SBendtrans-107.6-9.8-178.6-86.1150.5000114.6S7L4-S7 PolarHBondContact O-OG 3.45Å
5C34Very low47.8Very low98 Ų98113.8 Ų113.866%0.66263%0.633SS**G310 helixtrans-82.3-23.6177.8-76.30000114.9S7 S8C5-S7 PolarHBondContact O-N 3.39Å; C5-S7 VanDerWaalsContact O-N 3.09Å; C5-S8 PolarHBondContact O-OG 3.09Å; C5-S8 VanDerWaalsContact O-OG 3.09Å
6C33.3Very low50.2Low106 Ų106108.3 Ų108.372%0.71661%0.606SS**G310 helixtrans-75.92.2-175.1-67.80000115.2
7S33.5Very low52.5Low80 Ų80103.8 Ų103.856%0.55958%0.581SS**G310 helixtrans-95-22.7-179.159.10000113.9L4 C5 S10L4-S7 PolarHBondContact O-OG 3.45Å; C5-S7 PolarHBondContact O-N 3.39Å; C5-S7 VanDerWaalsContact O-N 3.09Å; S7-S10 PolarHBondContact O-OG 3.09Å
8S34.5Very low54.6Low60 Ų60100.4 Ų100.442%0.4256%0.559SS.*THydrogen-bonded Turntrans-72.5-44.1175.546.90000112.2C5 S10 V11 D12C5-S8 PolarHBondContact O-OG 3.09Å; C5-S8 VanDerWaalsContact O-OG 3.09Å; S8-S10 VanDerWaalsContact C-N 3.32Å; S8-S10 PolarHBondContact O-N 3.28Å; S8-V11 PolarHBondContact O-N 3.08Å; S8-V11 VanDerWaalsContact O-N 3.11Å; S8-D12 PolarHBondContact O-N 2.83Å
9D41.3Very low56.5Low96 Ų9696.4 Ų96.451%0.51354%0.535SS..Hα-helixtrans-67.1-34.3-167.8-57.2-9.5000112V11 D12 E13D9-V11 VanDerWaalsContact C-N 3.28Å; D9-V11 PolarHBondContact O-N 3.33Å; D9-D12 PolarHBondContact O-N 3.3Å; D9-E13 PolarHBondContact O-N 3.11Å; D9-E13 VanDerWaalsContact O-N 3.08Å
10S46.7Very low58.3Low61 Ų6191.6 Ų91.643%0.42751%0.508SS..Hα-helixtrans-67.2-24.1177.871.20000114.5S7 S8 N14S7-S10 PolarHBondContact O-OG 3.09Å; S8-S10 VanDerWaalsContact C-N 3.32Å; S8-S10 PolarHBondContact O-N 3.28Å; S10-N14 PolarHBondContact O-ND2 3.04Å
11V55.7Low59.9Low86 Ų8689.2 Ų89.252%0.52149%0.492SS..Hα-helixtrans-81-35.7179.4-179.50000110.3S8 D9 L15S8-V11 PolarHBondContact O-N 3.08Å; S8-V11 VanDerWaalsContact O-N 3.11Å; D9-V11 VanDerWaalsContact C-N 3.28Å; D9-V11 PolarHBondContact O-N 3.33Å; V11-L15 PolarHBondContact O-N 3.36Å
12D62.1Low62.5Low99 Ų9977.9 Ų77.953%0.52944%0.436SS..Hα-helixtrans-77.1-39.4-179.2-69.7-24.3000112.1S8 D9 N14 L15 A16S8-D12 PolarHBondContact O-N 2.83Å; D9-D12 PolarHBondContact O-N 3.3Å; D12-N14 VanDerWaalsContact C-N 3.32Å; D12-N14 PolarHBondContact O-N 3.37Å; D12-L15 WeakPolarHBondContact O-CB 3.46Å; D12-L15 PolarHBondContact O-N 2.95Å; D12-A16 PolarHBondContact O-N 3.39Å
13E62.3Low65Low134 Ų13471.8 Ų71.863%0.62640%0.399SS*.Hα-helixtrans-58.3-42.6174.3-77.2-178.4170.100112.1D9 L15 A16 L17D9-E13 PolarHBondContact O-N 3.11Å; D9-E13 VanDerWaalsContact O-N 3.08Å; E13-L15 VanDerWaalsContact C-N 3.28Å; E13-L15 PolarHBondContact O-N 3.5Å; E13-A16 PolarHBondContact O-N 3.45Å; E13-L17 WeakPolarHBondContact O-CB 3.27Å; E13-L17 PolarHBondContact O-N 2.83Å; E13-L17 VanDerWaalsContact O-N 3.1Å
14N80.4Confident67.7Low116 Ų11662 Ų6262%0.6236%0.356SS*.Hα-helixtrans-66.9-28.8176.6-80.5-56.9000112.9S10 D12 K18S10-N14 PolarHBondContact O-ND2 3.04Å; D12-N14 VanDerWaalsContact C-N 3.32Å; D12-N14 PolarHBondContact O-N 3.37Å; N14-K18 WeakPolarHBondContact O-CB 3.24Å; N14-K18 PolarHBondContact O-N 2.6Å
15L87.6Confident70.4Confident47 Ų4756.2 Ų56.225%0.24633%0.325CS..Hα-helixtrans-76.7-44.4177.4-177.964000111.5V11 D12 E13 L17 K18 Q19 K39 L42V11-L15 PolarHBondContact O-N 3.36Å; D12-L15 WeakPolarHBondContact O-CB 3.46Å; D12-L15 PolarHBondContact O-N 2.95Å; E13-L15 VanDerWaalsContact C-N 3.28Å; E13-L15 PolarHBondContact O-N 3.5Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 2.8Å; L15-K18 WeakPolarHBondContact O-CB 3.25Å; L15-K18 PolarHBondContact O-N 3.34Å; L15-K18 VanDerWaalsContact O-N 3.14Å; L15-Q19 WeakPolarHBondContact O-CG 3.48Å; L15-Q19 PolarHBondContact O-N 3.44Å; L15-K39 HydrophobicContact CD1-CB 4.3Å; L15-L42 HydrophobicContact CD1-CD1 4.08Å
16A86.8Confident73.1Confident25 Ų2551.6 Ų51.621%0.20729%0.294CS..Hα-helixtrans-59.8-45.5176.700000111.2D12 E13 K18 Q19 A20 V314 L315D12-A16 PolarHBondContact O-N 3.39Å; E13-A16 PolarHBondContact O-N 3.45Å; A16-K18 VanDerWaalsContact C-N 3.3Å; A16-K18 PolarHBondContact O-N 3.4Å; A16-Q19 PolarHBondContact O-N 3.34Å; A16-A20 WeakPolarHBondContact O-CB 3.26Å; A16-A20 PolarHBondContact O-N 3.47Å; A16-V314 HydrophobicContact CB-CG1 4Å; A16-L315 HydrophobicContact CB-CD2 4.49Å
17L89.8Confident75.9Confident32 Ų3246.6 Ų46.617%0.16826%0.26CS..Hα-helixtrans-60.5-40.1174.8-17365.2000112E13 L15 R21 L333 T336E13-L17 WeakPolarHBondContact O-CB 3.27Å; E13-L17 PolarHBondContact O-N 2.83Å; E13-L17 VanDerWaalsContact O-N 3.1Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 2.8Å; L17-R21 WeakPolarHBondContact O-CB 3.47Å; L17-R21 PolarHBondContact O-N 3.28Å; L17-L333 HydrophobicContact CD1-CB 4.1Å; L17-T336 HydrophobicContact CD2-CG2 4.39Å
18K89.3Confident78.4Confident44 Ų4444.6 Ų44.619%0.19124%0.241CC..Hα-helixtrans-65.7-42176.6-172.7175.4-177.6175.80112.1N14 L15 A16 R21 V22 E46N14-K18 WeakPolarHBondContact O-CB 3.24Å; N14-K18 PolarHBondContact O-N 2.6Å; L15-K18 WeakPolarHBondContact O-CB 3.25Å; L15-K18 PolarHBondContact O-N 3.34Å; L15-K18 VanDerWaalsContact O-N 3.14Å; A16-K18 VanDerWaalsContact C-N 3.3Å; A16-K18 PolarHBondContact O-N 3.4Å; K18-R21 WeakPolarHBondContact O-CB 3.43Å; K18-R21 PolarHBondContact O-N 3.09Å; K18-V22 VanDerWaalsContact O-CG2 3.32Å; K18-V22 WeakPolarHBondContact O-CG2 3.37Å; K18-V22 PolarHBondContact O-N 3.21Å; K18-V22 VanDerWaalsContact O-N 3.15Å; K18-E46 WeakPolarHBondContact CE-OE1 3.31Å; K18-E46 VanDerWaalsContact CE-OE2 3.25Å; K18-E46 WeakPolarHBondContact CE-OE2 3.46Å; K18-E46 IonicContact NZ-OE1 3.98Å; K18-E46 PolarHBondContact NZ-OE1 3.48Å; K18-E46 IonicContact NZ-OE2 3.68Å; K18-E46 PolarHBondContact NZ-OE2 2.88Å
19Q91.2Very high80.7Confident23 Ų2345.7 Ų45.711%0.10724%0.243CC..Hα-helixtrans-63.4-48.9176.4-74.1170.30.400111.2L15 A16 R21 V22 F23 L37 L42 V314L15-Q19 WeakPolarHBondContact O-CG 3.48Å; L15-Q19 PolarHBondContact O-N 3.44Å; A16-Q19 PolarHBondContact O-N 3.34Å; Q19-R21 VanDerWaalsContact C-N 3.28Å; Q19-R21 PolarHBondContact O-N 2.92Å; Q19-V22 PolarHBondContact O-N 3.14Å; Q19-V22 VanDerWaalsContact O-N 3.13Å; Q19-F23 PolarHBondContact O-N 2.86Å; Q19-L37 HydrophobicContact CG-CB 4.34Å; Q19-L37 HydrophobicContact CG-CD2 4.29Å; Q19-L37 PolarHBondContact NE2-O 2.91Å; Q19-L42 HydrophobicContact CG-CD1 3.8Å; Q19-V314 HydrophobicContact CB-CG1 3.95Å
20A91.5Very high82.7Confident0 Ų042.6 Ų42.60%022%0.224CC..Hα-helixtrans-59.5-40.4177.400000111.8A16 V22 F23 I24 A311 L315 L333A16-A20 WeakPolarHBondContact O-CB 3.26Å; A16-A20 PolarHBondContact O-N 3.47Å; A20-V22 PolarHBondContact O-N 3.23Å; A20-F23 PolarHBondContact O-N 2.88Å; A20-I24 WeakPolarHBondContact O-CG1 3.47Å; A20-I24 PolarHBondContact O-N 2.92Å; A20-A311 HydrophobicContact CB-CB 4.37Å; A20-L315 HydrophobicContact CB-CD1 3.6Å; A20-L315 HydrophobicContact CB-CD2 3.88Å; A20-L315 HydrophobicContact CB-CG 3.62Å; A20-L333 HydrophobicContact CB-CD1 3.92Å
21R92.1Very high84.6Confident42 Ų4242.1 Ų42.116%0.15821%0.213CC..Hα-helixtrans-55.9-51.2173178.4-173.769.7175.92.3112L17 K18 Q19 F23 I24 E25 E46 L333 T336 V337L17-R21 WeakPolarHBondContact O-CB 3.47Å; L17-R21 PolarHBondContact O-N 3.28Å; K18-R21 WeakPolarHBondContact O-CB 3.43Å; K18-R21 PolarHBondContact O-N 3.09Å; Q19-R21 VanDerWaalsContact C-N 3.28Å; Q19-R21 PolarHBondContact O-N 2.92Å; R21-F23 VanDerWaalsContact C-N 3.28Å; R21-F23 PolarHBondContact O-N 3.43Å; R21-I24 PolarHBondContact O-N 3.48Å; R21-E25 WeakPolarHBondContact O-CG 3.41Å; R21-E25 PolarHBondContact O-N 3.48Å; R21-E46 IonicContact CZ-OE1 2.75Å; R21-E46 IonicContact NH2-OE1 3.89Å; R21-E46 PolarHBondContact NH2-OE1 3.29Å; R21-E46 IonicContact NH2-OE2 2.98Å; R21-L333 HydrophobicContact CB-CD1 4.21Å; R21-T336 VanDerWaalsContact CD-O 3.29Å; R21-T336 WeakPolarHBondContact CD-O 3.43Å; R21-V337 HydrophobicContact CB-CG2 4.24Å; R21-V337 HydrophobicContact CG-CB 4.47Å; R21-V337 HydrophobicContact CG-CG2 3.83Å
22V91.3Very high86Confident2 Ų239.8 Ų39.81%0.01220%0.201CC..Hα-helixtrans-60.7-39.8-178.81770000110.9K18 Q19 A20 E25 D26 L42 Y45K18-V22 VanDerWaalsContact O-CG2 3.32Å; K18-V22 WeakPolarHBondContact O-CG2 3.37Å; K18-V22 PolarHBondContact O-N 3.21Å; K18-V22 VanDerWaalsContact O-N 3.15Å; Q19-V22 PolarHBondContact O-N 3.14Å; Q19-V22 VanDerWaalsContact O-N 3.13Å; A20-V22 PolarHBondContact O-N 3.23Å; V22-E25 PolarHBondContact O-N 3.03Å; V22-D26 WeakPolarHBondContact O-CB 3.29Å; V22-D26 PolarHBondContact O-N 3.37Å; V22-L42 HydrophobicContact CB-CD2 4.43Å; V22-L42 HydrophobicContact CG1-CD2 4.43Å; V22-L42 HydrophobicContact CG2-CD2 4.04Å; V22-Y45 HydrophobicContact CG1-CD1 3.8Å; V22-Y45 HydrophobicContact CG1-CE1 3.61Å
23F92.8Very high87.1Confident0 Ų035.5 Ų35.50%018%0.178CC..Hα-helixtrans-64.4-40.5175.9-69.4-37.1000113.6Q19 A20 R21 E25 D26 A27 I33 H35 L37 A307 A310 A311 V314 F771Q19-F23 PolarHBondContact O-N 2.86Å; A20-F23 PolarHBondContact O-N 2.88Å; R21-F23 VanDerWaalsContact C-N 3.28Å; R21-F23 PolarHBondContact O-N 3.43Å; F23-E25 VanDerWaalsContact C-N 3.33Å; F23-D26 PolarHBondContact O-N 3.49Å; F23-A27 WeakPolarHBondContact O-CB 3.44Å; F23-A27 PolarHBondContact O-N 3.1Å; F23-I33 HydrophobicContact CD1-CB 4.13Å; F23-I33 HydrophobicContact CD1-CG2 3.69Å; F23-I33 HydrophobicContact CE1-CB 3.77Å; F23-I33 HydrophobicContact CE1-CG2 3.87Å; F23-H35 AromaticContact CD1-CE1 3.99Å; F23-H35 AromaticContact CE1-CE1 3.77Å; F23-H35 AromaticContact CE1-NE2 3.99Å; F23-L37 HydrophobicContact CE1-CD2 4.01Å; F23-L37 HydrophobicContact CE2-CD2 4.27Å; F23-L37 HydrophobicContact CZ-CD1 4.16Å; F23-L37 HydrophobicContact CZ-CD2 3.51Å; F23-L37 HydrophobicContact CZ-CG 4.45Å; F23-A307 WeakPolarHBondContact O-CB 3.35Å; F23-A310 HydrophobicContact CD2-CB 4.03Å; F23-A310 HydrophobicContact CE2-CB 4.05Å; F23-A310 HydrophobicContact CG-CB 4.31Å; F23-A310 HydrophobicContact CZ-CB 4.36Å; F23-A311 HydrophobicContact CB-CB 3.97Å; F23-V314 HydrophobicContact CD2-CG2 4.44Å; F23-V314 HydrophobicContact CE2-CG2 3.8Å; F23-F771 HydrophobicContact CE2-CE2 4.47Å; F23-F771 AromaticContact CE2-CZ 3.97Å; F23-F771 HydrophobicContact CE2-CZ 3.97Å; F23-F771 HydrophobicContact CZ-CE2 4.09Å; F23-F771 HydrophobicContact CZ-CZ 4.04Å
24I92Very high88.1Confident0 Ų032.4 Ų32.40%017%0.165CC..Hα-helixtrans-65.6-38.6175-64.1-55.9000111.2A20 R21 D26 A27 E28 T308 A311 L333 V337 I339 F369 L372A20-I24 WeakPolarHBondContact O-CG1 3.47Å; A20-I24 PolarHBondContact O-N 2.92Å; R21-I24 PolarHBondContact O-N 3.48Å; I24-D26 VanDerWaalsContact C-N 3.34Å; I24-A27 WeakPolarHBondContact O-CB 3.37Å; I24-A27 PolarHBondContact O-N 3.23Å; I24-E28 PolarHBondContact O-N 2.71Å; I24-T308 HydrophobicContact CD1-CG2 4.25Å; I24-A311 HydrophobicContact CD1-CB 3.71Å; I24-A311 HydrophobicContact CG1-CB 4.01Å; I24-L333 HydrophobicContact CG1-CD1 4.27Å; I24-L333 HydrophobicContact CG1-CD2 4.09Å; I24-L333 HydrophobicContact CG1-CG 4.46Å; I24-V337 HydrophobicContact CB-CG2 4.1Å; I24-V337 HydrophobicContact CG2-CG1 3.88Å; I24-V337 HydrophobicContact CG2-CG2 4.06Å; I24-I339 HydrophobicContact CG2-CD1 3.95Å; I24-F369 HydrophobicContact CD1-CD1 3.94Å; I24-F369 HydrophobicContact CD1-CD2 4.25Å; I24-F369 HydrophobicContact CD1-CE1 3.8Å; I24-F369 HydrophobicContact CD1-CE2 4.15Å; I24-F369 HydrophobicContact CD1-CG 4.15Å; I24-F369 HydrophobicContact CD1-CZ 3.91Å; I24-F369 HydrophobicContact CG1-CE1 4.09Å; I24-F369 HydrophobicContact CG1-CZ 4.17Å; I24-F369 HydrophobicContact CG2-CD1 4.23Å; I24-F369 HydrophobicContact CG2-CE1 3.82Å; I24-L372 HydrophobicContact CG2-CD1 4.46Å
25E90.8Very high88.4Confident30 Ų3027 Ų2714%0.1414%0.136CC..Hα-helixtrans-66.5-36174.4-70.8178.2-172.200112.5R21 V22 F23 A27 E28 N29 V337 H338R21-E25 WeakPolarHBondContact O-CG 3.41Å; R21-E25 PolarHBondContact O-N 3.48Å; V22-E25 PolarHBondContact O-N 3.03Å; F23-E25 VanDerWaalsContact C-N 3.33Å; E25-A27 VanDerWaalsContact C-N 3.35Å; E25-E28 PolarHBondContact O-N 2.93Å; E25-N29 WeakPolarHBondContact O-CB 3.38Å; E25-N29 PolarHBondContact O-N 3.04Å; E25-N29 VanDerWaalsContact O-N 3.09Å; E25-N29 PolarHBondContact O-ND2 2.97Å; E25-V337 HydrophobicContact CG-CG1 4.3Å; E25-H338 WeakPolarHBondContact OE1-CB 3.39Å; E25-H338 IonicContact OE1-CD2 2.6Å; E25-H338 PolarHBondContact OE1-CD2 3.39Å; E25-H338 VanDerWaalsContact OE1-CD2 3.22Å; E25-H338 IonicContact OE1-CG 3.66Å; E25-H338 PolarHBondContact OE1-N 3.18Å
26D91.3Very high88.3Confident1 Ų128.2 Ų28.21%0.00514%0.139CC..Hα-helixtrans-67-36.7172.4-77.9-11.1000111.5V22 F23 I24 N29 Y30 R31 H35 Y45V22-D26 WeakPolarHBondContact O-CB 3.29Å; V22-D26 PolarHBondContact O-N 3.37Å; F23-D26 PolarHBondContact O-N 3.49Å; I24-D26 VanDerWaalsContact C-N 3.34Å; D26-N29 CarbonylContact O-C 3.45Å; D26-N29 PolarHBondContact O-N 3.22Å; D26-Y30 WeakPolarHBondContact O-CA 3.14Å; D26-Y30 PolarHBondContact O-N 3.15Å; D26-R31 HydrophobicContact CB-CB 3.97Å; D26-R31 PolarHBondContact O-N 2.82Å; D26-R31 WeakPolarHBondContact OD1-CD 3.49Å; D26-R31 IonicContact OD1-NH1 3.59Å; D26-H35 IonicContact OD2-CE1 3.52Å; D26-H35 PolarHBondContact OD2-CE1 3Å; D26-H35 IonicContact OD2-ND1 2.92Å; D26-H35 PolarHBondContact OD2-ND1 3Å; D26-Y45 VanDerWaalsContact CG-OH 3.3Å; D26-Y45 PolarHBondContact OD1-OH 2.99Å; D26-Y45 PolarHBondContact OD2-OH 3.21Å
27A90.1Very high88.2Confident0 Ų027.4 Ų27.40%013%0.132CC..Hα-helixtrans-64.1-42.1175.500000111.9F23 I24 E25 R304 A307 T308 L372F23-A27 WeakPolarHBondContact O-CB 3.44Å; F23-A27 PolarHBondContact O-N 3.1Å; I24-A27 WeakPolarHBondContact O-CB 3.37Å; I24-A27 PolarHBondContact O-N 3.23Å; E25-A27 VanDerWaalsContact C-N 3.35Å; A27-R304 HydrophobicContact CB-CG 4.18Å; A27-R304 PolarHBondContact O-NE 2.79Å; A27-A307 HydrophobicContact CB-CB 3.69Å; A27-T308 HydrophobicContact CB-CG2 4Å; A27-L372 HydrophobicContact CB-CD1 4.39Å
28E86.7Confident88Confident38 Ų3829.7 Ų29.718%0.17814%0.144CC..Hα-helixtrans-63.7-43.7175.1-179.663.6-174.400110.9I24 E25 R304 I339 K343I24-E28 PolarHBondContact O-N 2.71Å; E25-E28 PolarHBondContact O-N 2.93Å; E28-R304 PolarHBondContact O-NH2 3.16Å; E28-R304 VanDerWaalsContact O-NH2 3.16Å; E28-R304 IonicContact OE2-NH2 2.83Å; E28-I339 HydrophobicContact CG-CG1 4.45Å; E28-K343 VanDerWaalsContact CD-NZ 3.33Å; E28-K343 IonicContact OE1-NZ 2.69Å; E28-K343 PolarHBondContact OE1-NZ 3.34Å; E28-K343 IonicContact OE2-NZ 3.29Å; E28-K343 PolarHBondContact OE2-NZ 3.1Å
29N83.8Confident87.8Confident83 Ų8333.9 Ų33.944%0.44416%0.162SC..THydrogen-bonded Turntrans-89.55-176.7-69.5-73000115.2E25 D26 R31E25-N29 WeakPolarHBondContact O-CB 3.38Å; E25-N29 PolarHBondContact O-N 3.04Å; E25-N29 VanDerWaalsContact O-N 3.09Å; E25-N29 PolarHBondContact O-ND2 2.97Å; D26-N29 CarbonylContact O-C 3.45Å; D26-N29 PolarHBondContact O-N 3.22Å; N29-R31 VanDerWaalsContact C-N 3.27Å; N29-R31 HydrophobicContact CB-CG 3.89Å; N29-R31 PolarHBondContact ND2-NH2 2.92Å; N29-R31 PolarHBondContact O-N 3.15Å
30Y83.3Confident87.7Confident31 Ų3140 Ų4012%0.12219%0.191CC..THydrogen-bonded Turntrans5633.2-177.1-52.7-75.9000115.3D26 R300 R303 R304 D746D26-Y30 WeakPolarHBondContact O-CA 3.14Å; D26-Y30 PolarHBondContact O-N 3.15Å; Y30-R300 HydrophobicContact CD1-CB 3.67Å; Y30-R300 HydrophobicContact CD1-CG 4.19Å; Y30-R300 WeakPolarHBondContact CD1-O 3.43Å; Y30-R300 HydrophobicContact CE1-CB 3.99Å; Y30-R300 HydrophobicContact CG-CB 4.21Å; Y30-R300 HydrophobicContact CG-CG 4.22Å; Y30-R303 WeakPolarHBondContact O-CD 3.46Å; Y30-R303 PolarHBondContact O-NH1 3.18Å; Y30-R304 HydrophobicContact CD1-CB 4.34Å; Y30-R304 HydrophobicContact CE1-CB 4.37Å; Y30-R304 PolarHBondContact OH-NH1 3.14Å; Y30-R304 VanDerWaalsContact OH-NH1 3.12Å; Y30-R304 PolarHBondContact OH-NH2 2.59Å; Y30-D746 VanDerWaalsContact CE2-OD2 3.26Å; Y30-D746 WeakPolarHBondContact CE2-OD2 2.97Å; Y30-D746 VanDerWaalsContact CZ-OD2 3.28Å; Y30-D746 WeakPolarHBondContact OH-CB 3.48Å; Y30-D746 PolarHBondContact OH-OD2 2.82Å
31R85.9Confident87.5Confident51 Ų5140.6 Ų40.619%0.19220%0.195CC..  trans-84.2163.7178.3-57.2-180-161.9161.26.8110.7D26 N29 Y45 H49D26-R31 HydrophobicContact CB-CB 3.97Å; D26-R31 PolarHBondContact O-N 2.82Å; D26-R31 WeakPolarHBondContact OD1-CD 3.49Å; D26-R31 IonicContact OD1-NH1 3.59Å; N29-R31 VanDerWaalsContact C-N 3.27Å; N29-R31 HydrophobicContact CB-CG 3.89Å; N29-R31 PolarHBondContact ND2-NH2 2.92Å; N29-R31 PolarHBondContact O-N 3.15Å; R31-Y45 WeakPolarHBondContact CD-OH 3.34Å; R31-H49 PolarHBondContact NH1-CD2 2.86Å; R31-H49 VanDerWaalsContact NH1-CG 3.28Å
32S85.1Confident87.4Confident38 Ų3838.6 Ų38.627%0.26619%0.187SC..  trans-91.4145.3177.254.80000110.9N34S32-N34 PolarHBondContact O-N 3.24Å
33I85Confident87.2Confident9 Ų942.2 Ų42.25%0.04621%0.206CC..SBendtrans-77.98-17961.4166.9000115F23 H35 V306 A307 A310 I765 H768 F771F23-I33 HydrophobicContact CD1-CB 4.13Å; F23-I33 HydrophobicContact CD1-CG2 3.69Å; F23-I33 HydrophobicContact CE1-CB 3.77Å; F23-I33 HydrophobicContact CE1-CG2 3.87Å; I33-H35 PolarHBondContact O-N 3.33Å; I33-V306 HydrophobicContact CD1-CG1 3.63Å; I33-V306 HydrophobicContact CG1-CG1 4.18Å; I33-A307 HydrophobicContact CG2-CB 3.88Å; I33-A310 HydrophobicContact CD1-CB 4.12Å; I33-I765 HydrophobicContact CD1-CG1 4.43Å; I33-H768 PolarHBondContact O-NE2 2.96Å; I33-F771 HydrophobicContact CD1-CE2 4.48Å
34N84.1Confident87.1Confident68 Ų6845.6 Ų45.636%0.36422%0.222SC..  trans-73.18.9-168.7-63.610.8000115.8S32 F118 H768S32-N34 PolarHBondContact O-N 3.24Å; N34-F118 HydrophobicContact CB-CD1 4.28Å; N34-F118 HydrophobicContact CB-CE1 4.08Å; N34-F118 VanDerWaalsContact O-CD1 3.27Å; N34-F118 WeakPolarHBondContact O-CD1 3.37Å; N34-H768 VanDerWaalsContact CA-NE2 3.32Å; N34-H768 WeakPolarHBondContact CA-NE2 3.28Å
35H85.4Confident87.1Confident2 Ų246 Ų461%0.00922%0.224CC..SBendtrans-82.7154.8-177.860-91000110.8F23 D26 I33 Y45 F118F23-H35 AromaticContact CD1-CE1 3.99Å; F23-H35 AromaticContact CE1-CE1 3.77Å; F23-H35 AromaticContact CE1-NE2 3.99Å; D26-H35 IonicContact OD2-CE1 3.52Å; D26-H35 PolarHBondContact OD2-CE1 3Å; D26-H35 IonicContact OD2-ND1 2.92Å; D26-H35 PolarHBondContact OD2-ND1 3Å; I33-H35 PolarHBondContact O-N 3.33Å; H35-Y45 HydrophobicContact CB-CD2 4.16Å; H35-Y45 HydrophobicContact CB-CE2 4.27Å; H35-F118 HydrophobicContact CB-CD1 4.12Å; H35-F118 HydrophobicContact CB-CE1 3.87Å; H35-F118 HydrophobicContact CB-CE2 4.35Å; H35-F118 HydrophobicContact CB-CG 4.47Å; H35-F118 HydrophobicContact CB-CZ 3.99Å
36K86Confident87Confident73 Ų7347.2 Ų47.232%0.31723%0.23SC..  trans-68.6144175.4-68.5-179.6168.5-171.70110.7A117K36-A117 WeakPolarHBondContact CB-O 3.46Å; K36-A117 PolarHBondContact N-O 2.96Å
37L84.9Confident87Confident9 Ų951.7 Ų51.75%0.04725%0.253CS..  trans-96.13.7-175.5-60.4175.8000113.9Q19 F23 L42 H770Q19-L37 HydrophobicContact CG-CB 4.34Å; Q19-L37 HydrophobicContact CG-CD2 4.29Å; Q19-L37 PolarHBondContact NE2-O 2.91Å; F23-L37 HydrophobicContact CE1-CD2 4.01Å; F23-L37 HydrophobicContact CE2-CD2 4.27Å; F23-L37 HydrophobicContact CZ-CD1 4.16Å; F23-L37 HydrophobicContact CZ-CD2 3.51Å; F23-L37 HydrophobicContact CZ-CG 4.45Å; L37-L42 WeakPolarHBondContact O-CD1 3.35Å; L37-H770 HydrophobicContact CD1-CB 4.21Å
38D85.6Confident86.9Confident80 Ų8051.8 Ų51.843%0.42825%0.254SS..SBendtrans-65.5145.3176.8-52.5-30.4000110.9H40 S41 L42D38-H40 VanDerWaalsContact C-N 3.26Å; D38-H40 PolarHBondContact O-N 2.77Å; D38-H40 VanDerWaalsContact O-N 3.15Å; D38-S41 PolarHBondContact O-N 3.32Å; D38-L42 PolarHBondContact O-N 2.96Å
39K85.7Confident86.9Confident132 Ų13253 Ų5357%0.57426%0.259SS*.Hα-helixtrans-50.8-43.3-179.6-174.7177-179175.30113.1L15 I43L15-K39 HydrophobicContact CD1-CB 4.3Å; K39-I43 HydrophobicContact CG-CD1 4.4Å; K39-I43 WeakPolarHBondContact O-CD1 3.5Å; K39-I43 VanDerWaalsContact O-CG1 3.29Å; K39-I43 WeakPolarHBondContact O-CG1 3.08Å; K39-I43 PolarHBondContact O-N 2.7Å
40H87.6Confident87.2Confident151 Ų15150.2 Ų50.270%0.69925%0.25SC*.Hα-helixtrans-68.3-42.7178.6-68.8-72.5000112.5D38 I43 M44D38-H40 VanDerWaalsContact C-N 3.26Å; D38-H40 PolarHBondContact O-N 2.77Å; D38-H40 VanDerWaalsContact O-N 3.15Å; H40-I43 PolarHBondContact O-N 3.02Å; H40-M44 WeakPolarHBondContact O-CG 3.4Å; H40-M44 PolarHBondContact O-N 2.74Å; H40-M44 VanDerWaalsContact O-N 3.09Å
41S88.9Confident87.5Confident13 Ų1355.8 Ų55.89%0.09128%0.275CS..Hα-helixtrans-66.6-37.5178.8-69.30000112.3D38 M44 Y45D38-S41 PolarHBondContact O-N 3.32Å; S41-M44 PolarHBondContact O-N 3.15Å; S41-Y45 WeakPolarHBondContact O-CB 3.09Å; S41-Y45 PolarHBondContact O-N 3.35Å
42L88.2Confident87.7Confident0 Ų062.6 Ų62.60%030%0.302CS..Hα-helixtrans-63.1-40.2173.3-71.3172000112.1L15 Q19 V22 L37 D38 Y45 E46L15-L42 HydrophobicContact CD1-CD1 4.08Å; Q19-L42 HydrophobicContact CG-CD1 3.8Å; V22-L42 HydrophobicContact CB-CD2 4.43Å; V22-L42 HydrophobicContact CG1-CD2 4.43Å; V22-L42 HydrophobicContact CG2-CD2 4.04Å; L37-L42 WeakPolarHBondContact O-CD1 3.35Å; D38-L42 PolarHBondContact O-N 2.96Å; L42-Y45 PolarHBondContact O-N 3.47Å; L42-E46 WeakPolarHBondContact O-CB 3.26Å; L42-E46 VanDerWaalsContact O-CG 3.3Å; L42-E46 WeakPolarHBondContact O-CG 3.07Å; L42-E46 PolarHBondContact O-N 3.24Å
43I89Confident88.1Confident78 Ų7862.1 Ų62.140%0.430%0.297SS..Hα-helixtrans-62.5-43.8174.9-67.4163.7000110.6K39 H40 Y45 E46 L47K39-I43 HydrophobicContact CG-CD1 4.4Å; K39-I43 WeakPolarHBondContact O-CD1 3.5Å; K39-I43 VanDerWaalsContact O-CG1 3.29Å; K39-I43 WeakPolarHBondContact O-CG1 3.08Å; K39-I43 PolarHBondContact O-N 2.7Å; H40-I43 PolarHBondContact O-N 3.02Å; I43-Y45 VanDerWaalsContact C-N 3.33Å; I43-Y45 PolarHBondContact O-N 3.28Å; I43-E46 PolarHBondContact O-N 3.25Å; I43-L47 WeakPolarHBondContact O-CB 2.99Å; I43-L47 PolarHBondContact O-N 3.45Å
44M90.2Very high88.4Confident71 Ų7163 Ų6335%0.3530%0.302SS..Hα-helixtrans-64.3-38.7176.5-63.5-63.6-111.300111.8H40 S41 L47 S48 L113 A117H40-M44 WeakPolarHBondContact O-CG 3.4Å; H40-M44 PolarHBondContact O-N 2.74Å; H40-M44 VanDerWaalsContact O-N 3.09Å; S41-M44 PolarHBondContact O-N 3.15Å; M44-L47 PolarHBondContact O-N 3.37Å; M44-S48 WeakPolarHBondContact O-CB 3.29Å; M44-S48 PolarHBondContact O-N 2.69Å; M44-S48 PolarHBondContact O-OG 2.88Å; M44-L113 HydrophobicContact CE-CD2 3.56Å; M44-L113 HydrophobicContact SD-CD2 3.49Å; M44-L113 WeakPolarHBondContact SD-CD2 3.37Å; M44-A117 HydrophobicContact CB-CB 4.39Å
45Y90.7Very high88.8Confident7 Ų763.1 Ų63.13%0.02730%0.302CS..Hα-helixtrans-63.9-47176.4-172.2-103000111.7V22 D26 R31 H35 S41 L42 I43 S48 H49 A117 F118V22-Y45 HydrophobicContact CG1-CD1 3.8Å; V22-Y45 HydrophobicContact CG1-CE1 3.61Å; D26-Y45 VanDerWaalsContact CG-OH 3.3Å; D26-Y45 PolarHBondContact OD1-OH 2.99Å; D26-Y45 PolarHBondContact OD2-OH 3.21Å; R31-Y45 WeakPolarHBondContact CD-OH 3.34Å; H35-Y45 HydrophobicContact CB-CD2 4.16Å; H35-Y45 HydrophobicContact CB-CE2 4.27Å; S41-Y45 WeakPolarHBondContact O-CB 3.09Å; S41-Y45 PolarHBondContact O-N 3.35Å; L42-Y45 PolarHBondContact O-N 3.47Å; I43-Y45 VanDerWaalsContact C-N 3.33Å; I43-Y45 PolarHBondContact O-N 3.28Å; Y45-S48 PolarHBondContact O-N 3.28Å; Y45-S48 PolarHBondContact O-OG 3.46Å; Y45-H49 AromaticContact CD2-CE1 3.83Å; Y45-H49 AromaticContact CD2-ND1 3.86Å; Y45-H49 AromaticContact CE1-ND1 3.9Å; Y45-H49 AromaticContact CE2-CE1 3.29Å; Y45-H49 WeakPolarHBondContact CE2-CE1 2.84Å; Y45-H49 AromaticContact CE2-ND1 3.67Å; Y45-H49 AromaticContact CZ-CE1 3.5Å; Y45-H49 VanDerWaalsContact CZ-CE1 3.5Å; Y45-H49 AromaticContact CZ-ND1 3.69Å; Y45-H49 PolarHBondContact O-N 3.35Å; Y45-H49 VanDerWaalsContact O-N 3.11Å; Y45-H49 PolarHBondContact O-ND1 3.46Å; Y45-H49 VanDerWaalsContact O-ND1 3.07Å; Y45-A117 HydrophobicContact CD2-CB 4.14Å; Y45-F118 HydrophobicContact CD2-CE2 4.19Å; Y45-F118 AromaticContact CE2-CE2 3.93Å; Y45-F118 HydrophobicContact CE2-CE2 3.93Å; Y45-F118 HydrophobicContact CE2-CZ 4.03Å
46E89.5Confident89.3Confident56 Ų5666.8 Ų66.826%0.26232%0.321SS..Hα-helixtrans-61.4-44.4175.8-75.2171174.200111.7K18 R21 L42 I43 S48 H49 G50K18-E46 WeakPolarHBondContact CE-OE1 3.31Å; K18-E46 VanDerWaalsContact CE-OE2 3.25Å; K18-E46 WeakPolarHBondContact CE-OE2 3.46Å; K18-E46 IonicContact NZ-OE1 3.98Å; K18-E46 PolarHBondContact NZ-OE1 3.48Å; K18-E46 IonicContact NZ-OE2 3.68Å; K18-E46 PolarHBondContact NZ-OE2 2.88Å; R21-E46 IonicContact CZ-OE1 2.75Å; R21-E46 IonicContact NH2-OE1 3.89Å; R21-E46 PolarHBondContact NH2-OE1 3.29Å; R21-E46 IonicContact NH2-OE2 2.98Å; L42-E46 WeakPolarHBondContact O-CB 3.26Å; L42-E46 VanDerWaalsContact O-CG 3.3Å; L42-E46 WeakPolarHBondContact O-CG 3.07Å; L42-E46 PolarHBondContact O-N 3.24Å; I43-E46 PolarHBondContact O-N 3.25Å; E46-S48 VanDerWaalsContact C-N 3.34Å; E46-S48 PolarHBondContact O-N 2.92Å; E46-H49 CarbonylContact O-C 3.49Å; E46-H49 PolarHBondContact O-N 3.29Å; E46-G50 PolarHBondContact O-N 3.48Å
47L91.1Very high89.6Confident96 Ų9663.8 Ų63.850%0.50331%0.309SS..Hα-helixtrans-63-42.2176.7-173.565.4000111.4I43 M44 H49 G50 L113I43-L47 WeakPolarHBondContact O-CB 2.99Å; I43-L47 PolarHBondContact O-N 3.45Å; M44-L47 PolarHBondContact O-N 3.37Å; L47-H49 VanDerWaalsContact C-N 3.28Å; L47-H49 PolarHBondContact O-N 3.07Å; L47-G50 PolarHBondContact O-N 3.11Å; L47-G50 VanDerWaalsContact O-N 3.15Å; L47-L113 HydrophobicContact CD2-CD1 3.84Å; L47-L113 HydrophobicContact CD2-CD2 3.98Å; L47-L113 HydrophobicContact CG-CD1 3.97Å
48S88.6Confident90.1Very high2 Ų271.3 Ų71.31%0.01434%0.336CS..Hα-helixtrans-63.5-32.8179.876.70000113.4M44 Y45 E46 Q110M44-S48 WeakPolarHBondContact O-CB 3.29Å; M44-S48 PolarHBondContact O-N 2.69Å; M44-S48 PolarHBondContact O-OG 2.88Å; Y45-S48 PolarHBondContact O-N 3.28Å; Y45-S48 PolarHBondContact O-OG 3.46Å; E46-S48 VanDerWaalsContact C-N 3.34Å; E46-S48 PolarHBondContact O-N 2.92Å; S48-Q110 PolarHBondContact O-NE2 3.14Å; S48-Q110 VanDerWaalsContact O-NE2 3.14Å
49H86.8Confident90.5Very high63 Ų6370.4 Ų70.429%0.29233%0.334SS..THydrogen-bonded Turntrans-98.35177-68.495.8000113.4R31 Y45 E46 L47R31-H49 PolarHBondContact NH1-CD2 2.86Å; R31-H49 VanDerWaalsContact NH1-CG 3.28Å; Y45-H49 AromaticContact CD2-CE1 3.83Å; Y45-H49 AromaticContact CD2-ND1 3.86Å; Y45-H49 AromaticContact CE1-ND1 3.9Å; Y45-H49 AromaticContact CE2-CE1 3.29Å; Y45-H49 WeakPolarHBondContact CE2-CE1 2.84Å; Y45-H49 AromaticContact CE2-ND1 3.67Å; Y45-H49 AromaticContact CZ-CE1 3.5Å; Y45-H49 VanDerWaalsContact CZ-CE1 3.5Å; Y45-H49 AromaticContact CZ-ND1 3.69Å; Y45-H49 PolarHBondContact O-N 3.35Å; Y45-H49 VanDerWaalsContact O-N 3.11Å; Y45-H49 PolarHBondContact O-ND1 3.46Å; Y45-H49 VanDerWaalsContact O-ND1 3.07Å; E46-H49 CarbonylContact O-C 3.49Å; E46-H49 PolarHBondContact O-N 3.29Å; L47-H49 VanDerWaalsContact C-N 3.28Å; L47-H49 PolarHBondContact O-N 3.07Å
50G89.1Confident91Very high24 Ų2464.2 Ų64.225%0.24731%0.307CS..  trans-57.7144.7177.300000111E46 L47 Y52 L53 T54E46-G50 PolarHBondContact O-N 3.48Å; L47-G50 PolarHBondContact O-N 3.11Å; L47-G50 VanDerWaalsContact O-N 3.15Å; G50-Y52 VanDerWaalsContact C-N 3.34Å; G50-Y52 PolarHBondContact O-N 3.49Å; G50-L53 PolarHBondContact O-N 3.46Å; G50-T54 VanDerWaalsContact O-CB 3.3Å; G50-T54 WeakPolarHBondContact O-CB 3.37Å; G50-T54 PolarHBondContact O-N 3.26Å; G50-T54 PolarHBondContact O-OG1 3.14Å
51F89.3Confident91.3Very high148 Ų14857.6 Ų57.665%0.64928%0.277SS*.Hα-helixtrans-53.2-49.6-178.4178.3-103.1000112.1T54 I55F51-T54 PolarHBondContact O-N 3.13Å; F51-I55 HydrophobicContact CD1-CD1 3.81Å; F51-I55 HydrophobicContact CD2-CD1 3.99Å; F51-I55 HydrophobicContact CE1-CD1 3.35Å; F51-I55 HydrophobicContact CE2-CD1 3.55Å; F51-I55 HydrophobicContact CG-CD1 4.13Å; F51-I55 HydrophobicContact CZ-CD1 3.22Å; F51-I55 WeakPolarHBondContact O-CG1 3.45Å; F51-I55 PolarHBondContact O-N 3.15Å
52Y91.5Very high91.6Very high194 Ų19461 Ų6176%0.76130%0.297SS*.Hα-helixtrans-64.6-49-177.7-61.9-70.4000113G50 T54 I55 L56G50-Y52 VanDerWaalsContact C-N 3.34Å; G50-Y52 PolarHBondContact O-N 3.49Å; Y52-T54 VanDerWaalsContact C-N 3.33Å; Y52-T54 PolarHBondContact O-N 3.07Å; Y52-I55 PolarHBondContact O-N 2.97Å; Y52-L56 WeakPolarHBondContact O-CB 3.39Å; Y52-L56 PolarHBondContact O-N 3.13Å
53L92.3Very high92Very high29 Ų2964.5 Ų64.515%0.15232%0.315CS..Hα-helixtrans-66.4-37.4-179.7-174.864.1000111.4G50 L56 H57 Q110 L113G50-L53 PolarHBondContact O-N 3.46Å; L53-L56 PolarHBondContact O-N 3.19Å; L53-H57 WeakPolarHBondContact O-CB 3.16Å; L53-H57 PolarHBondContact O-N 2.97Å; L53-Q110 HydrophobicContact CD2-CB 4.36Å; L53-Q110 HydrophobicContact CD2-CG 4.22Å; L53-L113 HydrophobicContact CD2-CD1 3.61Å
54T91Very high92.3Very high27 Ų2761 Ų6117%0.16630%0.297CS..Hα-helixtrans-64-42.4176-60.60000111.7G50 F51 Y52 R58G50-T54 VanDerWaalsContact O-CB 3.3Å; G50-T54 WeakPolarHBondContact O-CB 3.37Å; G50-T54 PolarHBondContact O-N 3.26Å; G50-T54 PolarHBondContact O-OG1 3.14Å; F51-T54 PolarHBondContact O-N 3.13Å; Y52-T54 VanDerWaalsContact C-N 3.33Å; Y52-T54 PolarHBondContact O-N 3.07Å; T54-R58 WeakPolarHBondContact O-CB 3.5Å; T54-R58 VanDerWaalsContact O-CG 3.23Å; T54-R58 WeakPolarHBondContact O-CG 3.22Å; T54-R58 PolarHBondContact O-N 2.96Å
55I93.7Very high92.5Very high71 Ų7158.8 Ų58.836%0.36429%0.285SS..Hα-helixtrans-65.5-44.4174.7-73173.2000110.7F51 Y52 H57 R58 T59F51-I55 HydrophobicContact CD1-CD1 3.81Å; F51-I55 HydrophobicContact CD2-CD1 3.99Å; F51-I55 HydrophobicContact CE1-CD1 3.35Å; F51-I55 HydrophobicContact CE2-CD1 3.55Å; F51-I55 HydrophobicContact CG-CD1 4.13Å; F51-I55 HydrophobicContact CZ-CD1 3.22Å; F51-I55 WeakPolarHBondContact O-CG1 3.45Å; F51-I55 PolarHBondContact O-N 3.15Å; Y52-I55 PolarHBondContact O-N 2.97Å; I55-H57 VanDerWaalsContact C-N 3.34Å; I55-H57 PolarHBondContact O-N 2.89Å; I55-R58 PolarHBondContact O-N 3.37Å; I55-T59 HydrophobicContact CG2-CG2 4.21Å; I55-T59 WeakPolarHBondContact O-CB 3.33Å; I55-T59 VanDerWaalsContact O-CG2 3.31Å; I55-T59 WeakPolarHBondContact O-CG2 3.42Å; I55-T59 PolarHBondContact O-N 2.99Å; I55-T59 PolarHBondContact O-OG1 3.02Å
56L94.7Very high92.6Very high78 Ų7862.7 Ų62.741%0.40831%0.306SS..Hα-helixtrans-62.7-41.5179.6-171.865.1000111.6Y52 L53 T59 S60 I106Y52-L56 WeakPolarHBondContact O-CB 3.39Å; Y52-L56 PolarHBondContact O-N 3.13Å; L53-L56 PolarHBondContact O-N 3.19Å; L56-T59 VanDerWaalsContact CA-OG1 3.28Å; L56-T59 WeakPolarHBondContact CA-OG1 3.41Å; L56-T59 PolarHBondContact O-OG1 3.29Å; L56-S60 WeakPolarHBondContact O-CB 3.42Å; L56-S60 PolarHBondContact O-N 3.37Å; L56-S60 PolarHBondContact O-OG 3.26Å; L56-I106 HydrophobicContact CB-CG2 4.36Å; L56-I106 HydrophobicContact CD1-CD1 3.86Å; L56-I106 HydrophobicContact CD2-CD1 3.9Å; L56-I106 HydrophobicContact CD2-CG1 3.84Å; L56-I106 HydrophobicContact CD2-CG2 3.99Å; L56-I106 HydrophobicContact CG-CD1 3.72Å; L56-I106 HydrophobicContact CG-CG1 4.07Å; L56-I106 HydrophobicContact CG-CG2 3.76Å
57H94Very high92.9Very high10 Ų1060.4 Ų60.45%0.04630%0.296CS..Hα-helixtrans-63.7-47.7174178.575.4000112.1L53 I55 T59 S60 L61 I106 Q110 S169L53-H57 WeakPolarHBondContact O-CB 3.16Å; L53-H57 PolarHBondContact O-N 2.97Å; I55-H57 VanDerWaalsContact C-N 3.34Å; I55-H57 PolarHBondContact O-N 2.89Å; H57-T59 PolarHBondContact O-N 3.46Å; H57-S60 WeakPolarHBondContact O-CB 3.3Å; H57-S60 PolarHBondContact O-N 2.92Å; H57-L61 WeakPolarHBondContact NE2-CD1 3.49Å; H57-L61 WeakPolarHBondContact O-CG 3.3Å; H57-L61 PolarHBondContact O-N 3.09Å; H57-I106 HydrophobicContact CB-CG2 4.48Å; H57-Q110 PolarHBondContact CD2-OE1 3.49Å; H57-Q110 PolarHBondContact CE1-OE1 2.85Å; H57-Q110 PolarHBondContact ND1-OE1 3.05Å; H57-Q110 VanDerWaalsContact ND1-OE1 3.09Å; H57-Q110 PolarHBondContact NE2-OE1 3.29Å; H57-S169 PolarHBondContact NE2-OG 3.27Å
58R93.8Very high93Very high167 Ų16756.1 Ų56.163%0.6327%0.274SS*.Hα-helixtrans-62.3-42.4178.3-72.7174.1-174-173.24.8111.9T54 I55 L61 V62T54-R58 WeakPolarHBondContact O-CB 3.5Å; T54-R58 VanDerWaalsContact O-CG 3.23Å; T54-R58 WeakPolarHBondContact O-CG 3.22Å; T54-R58 PolarHBondContact O-N 2.96Å; I55-R58 PolarHBondContact O-N 3.37Å; R58-L61 PolarHBondContact O-N 3.02Å; R58-V62 WeakPolarHBondContact O-CG2 3.35Å; R58-V62 PolarHBondContact O-N 3.11Å; R58-V62 VanDerWaalsContact O-N 3.08Å
59T95.2Very high93.2Very high61 Ų6158.7 Ų58.737%0.37429%0.285SS..Hα-helixtrans-65.9-40.3176.2490000111.6I55 L56 H57 L61 V62 I63I55-T59 HydrophobicContact CG2-CG2 4.21Å; I55-T59 WeakPolarHBondContact O-CB 3.33Å; I55-T59 VanDerWaalsContact O-CG2 3.31Å; I55-T59 WeakPolarHBondContact O-CG2 3.42Å; I55-T59 PolarHBondContact O-N 2.99Å; I55-T59 PolarHBondContact O-OG1 3.02Å; L56-T59 VanDerWaalsContact CA-OG1 3.28Å; L56-T59 WeakPolarHBondContact CA-OG1 3.41Å; L56-T59 PolarHBondContact O-OG1 3.29Å; H57-T59 PolarHBondContact O-N 3.46Å; T59-L61 VanDerWaalsContact C-N 3.32Å; T59-L61 PolarHBondContact O-N 3.2Å; T59-V62 PolarHBondContact O-N 3.19Å; T59-V62 VanDerWaalsContact O-N 3.16Å; T59-I63 VanDerWaalsContact O-CG1 3.28Å; T59-I63 WeakPolarHBondContact O-CG1 3.49Å; T59-I63 PolarHBondContact O-N 3.28Å
60S95.7Very high93.5Very high3 Ų360.6 Ų60.62%0.02129%0.292CS..Hα-helixtrans-58.8-42.4173.7-600000112.1L56 H57 I63 L64 I106L56-S60 WeakPolarHBondContact O-CB 3.42Å; L56-S60 PolarHBondContact O-N 3.37Å; L56-S60 PolarHBondContact O-OG 3.26Å; H57-S60 WeakPolarHBondContact O-CB 3.3Å; H57-S60 PolarHBondContact O-N 2.92Å; S60-I63 PolarHBondContact O-N 3.41Å; S60-L64 WeakPolarHBondContact O-CB 3.32Å; S60-L64 WeakPolarHBondContact O-CG 3.48Å; S60-L64 PolarHBondContact O-N 2.91Å; S60-I106 VanDerWaalsContact OG-CD1 3.28Å; S60-I106 WeakPolarHBondContact OG-CD1 3.49Å
61L94.8Very high93.6Very high11 Ų1159.5 Ų59.56%0.05828%0.281CS..Hα-helixtrans-63.2-42.3174.8-71174.1000112.4H57 R58 T59 L64 F65 I107 F165 L166H57-L61 WeakPolarHBondContact NE2-CD1 3.49Å; H57-L61 WeakPolarHBondContact O-CG 3.3Å; H57-L61 PolarHBondContact O-N 3.09Å; R58-L61 PolarHBondContact O-N 3.02Å; T59-L61 VanDerWaalsContact C-N 3.32Å; T59-L61 PolarHBondContact O-N 3.2Å; L61-L64 PolarHBondContact O-N 2.78Å; L61-F65 WeakPolarHBondContact O-CD2 3.42Å; L61-F65 PolarHBondContact O-N 3.28Å; L61-F65 VanDerWaalsContact O-N 3.17Å; L61-I107 HydrophobicContact CD2-CD1 3.93Å; L61-F165 HydrophobicContact CD2-CB 3.73Å; L61-L166 HydrophobicContact CD1-CD1 4.44Å
62V95.1Very high93.5Very high86 Ų8657 Ų5752%0.52127%0.267SS..Hα-helixtrans-63.1-45.3176.8172.20000110.7R58 T59 L64 F65 L66R58-V62 WeakPolarHBondContact O-CG2 3.35Å; R58-V62 PolarHBondContact O-N 3.11Å; R58-V62 VanDerWaalsContact O-N 3.08Å; T59-V62 PolarHBondContact O-N 3.19Å; T59-V62 VanDerWaalsContact O-N 3.16Å; V62-L64 PolarHBondContact O-N 3.17Å; V62-F65 PolarHBondContact O-N 3.41Å; V62-L66 HydrophobicContact CG1-CD1 3.87Å; V62-L66 HydrophobicContact CG1-CG 4.41Å; V62-L66 WeakPolarHBondContact O-CG 3.4Å; V62-L66 PolarHBondContact O-N 3.29Å
63I95.9Very high93.3Very high73 Ų7348.3 Ų48.337%0.37424%0.235SC..Hα-helixtrans-59.1-48177.3-68.4165.1000110.4T59 S60 F65 L66 L67 I99T59-I63 VanDerWaalsContact O-CG1 3.28Å; T59-I63 WeakPolarHBondContact O-CG1 3.49Å; T59-I63 PolarHBondContact O-N 3.28Å; S60-I63 PolarHBondContact O-N 3.41Å; I63-F65 PolarHBondContact O-N 3.24Å; I63-L66 PolarHBondContact O-N 3.26Å; I63-L66 VanDerWaalsContact O-N 3.12Å; I63-L67 WeakPolarHBondContact O-CB 3.31Å; I63-L67 PolarHBondContact O-N 3.44Å; I63-I99 HydrophobicContact CG2-CG2 3.58Å
64L94.8Very high93.3Very high3 Ų347.1 Ų47.12%0.01623%0.229CC..Hα-helixtrans-58.2-34.2178.3-78.4176.8000113.6S60 L61 V62 E100 C103 I107 R162S60-L64 WeakPolarHBondContact O-CB 3.32Å; S60-L64 WeakPolarHBondContact O-CG 3.48Å; S60-L64 PolarHBondContact O-N 2.91Å; L61-L64 PolarHBondContact O-N 2.78Å; V62-L64 PolarHBondContact O-N 3.17Å; L64-E100 HydrophobicContact CD2-CG 4.3Å; L64-C103 HydrophobicContact CD1-CB 3.95Å; L64-C103 HydrophobicContact CD2-CB 3.86Å; L64-C103 HydrophobicContact CG-CB 3.68Å; L64-I107 HydrophobicContact CD1-CD1 3.48Å; L64-I107 VanDerWaalsContact CD1-CD1 3.48Å; L64-R162 WeakPolarHBondContact O-CD 3.49Å; L64-R162 PolarHBondContact O-NH1 3.37Å
65F94Very high93.3Very high25 Ų2546.4 Ų46.411%0.1123%0.225CC..Hα-helixtrans-79.4-27.8177.8-93-113.1000113.6L61 V62 I63 P68 P163 L166 I554 Y558L61-F65 WeakPolarHBondContact O-CD2 3.42Å; L61-F65 PolarHBondContact O-N 3.28Å; L61-F65 VanDerWaalsContact O-N 3.17Å; V62-F65 PolarHBondContact O-N 3.41Å; I63-F65 PolarHBondContact O-N 3.24Å; F65-P68 WeakPolarHBondContact O-CD 3.16Å; F65-P163 HydrophobicContact CZ-CB 4.45Å; F65-L166 HydrophobicContact CD1-CD2 4.46Å; F65-L166 HydrophobicContact CE1-CD2 3.63Å; F65-L166 HydrophobicContact CE2-CB 3.53Å; F65-L166 HydrophobicContact CE2-CD2 4Å; F65-L166 HydrophobicContact CE2-CG 4.29Å; F65-L166 HydrophobicContact CZ-CB 3.47Å; F65-L166 VanDerWaalsContact CZ-CB 3.47Å; F65-L166 HydrophobicContact CZ-CD2 3.31Å; F65-L166 HydrophobicContact CZ-CG 3.98Å; F65-I554 HydrophobicContact CD1-CG2 4.18Å; F65-I554 HydrophobicContact CE1-CG2 4.14Å; F65-Y558 AromaticContact CD1-CD2 3.86Å; F65-Y558 HydrophobicContact CD1-CD2 3.86Å; F65-Y558 HydrophobicContact CD1-CE2 4.31Å; F65-Y558 HydrophobicContact CD1-CG 4.45Å; F65-Y558 HydrophobicContact CE1-CD2 4.23Å; F65-Y558 HydrophobicContact CE1-CG 4.36Å; F65-Y558 HydrophobicContact CG-CD2 4.43Å; F65-Y558 HydrophobicContact CG-CE2 4.43Å
66L94.7Very high93.2Very high89 Ų8947.3 Ų47.347%0.46623%0.23SC..Hα-helixtrans-86-18.2176.2-67.8177000112.9V62 I63 F69 F70V62-L66 HydrophobicContact CG1-CD1 3.87Å; V62-L66 HydrophobicContact CG1-CG 4.41Å; V62-L66 WeakPolarHBondContact O-CG 3.4Å; V62-L66 PolarHBondContact O-N 3.29Å; I63-L66 PolarHBondContact O-N 3.26Å; I63-L66 VanDerWaalsContact O-N 3.12Å; L66-F69 HydrophobicContact CD2-CD2 4.44Å; L66-F69 HydrophobicContact CD2-CE2 4.29Å; L66-F69 WeakPolarHBondContact O-CD2 3.28Å; L66-F69 PolarHBondContact O-N 2.88Å; L66-F70 WeakPolarHBondContact O-CD2 3.44Å
67L94.2Very high92.9Very high9 Ų945.7 Ų45.75%0.04722%0.223CC..G310 helixtrans-58.2-35.3-175.8-157.971.7000115.1I63 F69 F70 E71 I99 E100I63-L67 WeakPolarHBondContact O-CB 3.31Å; I63-L67 PolarHBondContact O-N 3.44Å; L67-F69 PolarHBondContact O-N 3.24Å; L67-F69 VanDerWaalsContact O-N 3.07Å; L67-F70 PolarHBondContact O-N 2.91Å; L67-E71 WeakPolarHBondContact CB-OE1 3.41Å; L67-E71 HydrophobicContact CD2-CG 4.37Å; L67-E71 WeakPolarHBondContact CD2-OE1 3.47Å; L67-E71 HydrophobicContact CG-CG 4.02Å; L67-E71 VanDerWaalsContact CG-OE1 3.29Å; L67-E71 WeakPolarHBondContact CG-OE1 3.43Å; L67-E71 WeakPolarHBondContact O-CG 3.5Å; L67-E71 PolarHBondContact O-N 3.44Å; L67-I99 HydrophobicContact CD1-CG2 4.2Å; L67-E100 HydrophobicContact CD2-CG 3.2Å; L67-E100 WeakPolarHBondContact CD2-OE1 3.49Å
68P93.4Very high92.6Very high5 Ų553.2 Ų53.23%0.03226%0.261CS..G310 helixtrans-59.9-21.8178.6-26.336.9000115.1F65 F70 R162 Y558 F604F65-P68 WeakPolarHBondContact O-CD 3.16Å; P68-F70 PolarHBondContact O-N 3.43Å; P68-R162 VanDerWaalsContact CD-NH1 3.34Å; P68-Y558 HydrophobicContact CG-CE2 3.6Å; P68-Y558 WeakPolarHBondContact CG-OH 3.43Å; P68-F604 HydrophobicContact CB-CB 4.11Å; P68-F604 HydrophobicContact CB-CD1 3.77Å; P68-F604 HydrophobicContact CB-CD2 3.81Å; P68-F604 HydrophobicContact CB-CE1 4.09Å; P68-F604 HydrophobicContact CB-CE2 4.14Å; P68-F604 HydrophobicContact CB-CG 3.62Å; P68-F604 HydrophobicContact CB-CZ 4.27Å; P68-F604 HydrophobicContact CG-CE1 4.49Å; P68-F604 HydrophobicContact CG-CE2 4.46Å; P68-F604 HydrophobicContact CG-CZ 4.41Å
69F94.1Very high92.5Very high57 Ų5747.3 Ų47.325%0.2525%0.245CC..G310 helixtrans-66.7-28.5173.4-70.4-84.2000112.3L66 L67 S74 S75 F604 A605 L608L66-F69 HydrophobicContact CD2-CD2 4.44Å; L66-F69 HydrophobicContact CD2-CE2 4.29Å; L66-F69 WeakPolarHBondContact O-CD2 3.28Å; L66-F69 PolarHBondContact O-N 2.88Å; L67-F69 PolarHBondContact O-N 3.24Å; L67-F69 VanDerWaalsContact O-N 3.07Å; F69-S74 PolarHBondContact O-OG 2.99Å; F69-S74 VanDerWaalsContact O-OG 3.11Å; F69-S75 PolarHBondContact O-N 3.19Å; F69-F604 HydrophobicContact CD1-CD1 4.15Å; F69-F604 AromaticContact CD2-CD1 3.9Å; F69-F604 HydrophobicContact CD2-CD1 3.9Å; F69-F604 HydrophobicContact CD2-CE1 4.04Å; F69-F604 AromaticContact CE1-CD1 3.99Å; F69-F604 HydrophobicContact CE1-CD1 3.99Å; F69-F604 HydrophobicContact CE1-CE1 4.46Å; F69-F604 AromaticContact CE2-CD1 3.74Å; F69-F604 HydrophobicContact CE2-CD1 3.74Å; F69-F604 AromaticContact CE2-CE1 3.56Å; F69-F604 HydrophobicContact CE2-CE1 3.56Å; F69-F604 HydrophobicContact CG-CD1 4.11Å; F69-F604 AromaticContact CZ-CD1 3.78Å; F69-F604 HydrophobicContact CZ-CD1 3.78Å; F69-F604 AromaticContact CZ-CE1 3.8Å; F69-F604 HydrophobicContact CZ-CE1 3.8Å; F69-A605 HydrophobicContact CD1-CB 4.11Å; F69-A605 HydrophobicContact CE1-CB 3.83Å; F69-L608 HydrophobicContact CE1-CD1 4.35Å; F69-L608 HydrophobicContact CZ-CD1 3.76Å
70F92.9Very high92.3Very high102 Ų10246.2 Ų46.245%0.44724%0.24SC..THydrogen-bonded Turntrans-100.9-24.4-176.9-58.8-85.7000113.1L66 L67 P68 L76 P91L66-F70 WeakPolarHBondContact O-CD2 3.44Å; L67-F70 PolarHBondContact O-N 2.91Å; P68-F70 PolarHBondContact O-N 3.43Å; F70-L76 HydrophobicContact CD1-CD1 3.67Å; F70-L76 HydrophobicContact CD1-CG 4.39Å; F70-L76 HydrophobicContact CE1-CD1 3.92Å; F70-L76 HydrophobicContact CE1-CD2 4.19Å; F70-P91 VanDerWaalsContact O-CD 3.27Å; F70-P91 WeakPolarHBondContact O-CD 3.43Å; F70-P91 VanDerWaalsContact O-CG 3.26Å; F70-P91 WeakPolarHBondContact O-CG 3.42Å
71E90.2Very high92.1Very high2 Ų247 Ų471%0.00924%0.244CC..SBendtrans-67.3164.8177.4-73.7170.2-125.400112.6L67 P73 S74 T96 R159 R162L67-E71 WeakPolarHBondContact CB-OE1 3.41Å; L67-E71 HydrophobicContact CD2-CG 4.37Å; L67-E71 WeakPolarHBondContact CD2-OE1 3.47Å; L67-E71 HydrophobicContact CG-CG 4.02Å; L67-E71 VanDerWaalsContact CG-OE1 3.29Å; L67-E71 WeakPolarHBondContact CG-OE1 3.43Å; L67-E71 WeakPolarHBondContact O-CG 3.5Å; L67-E71 PolarHBondContact O-N 3.44Å; E71-P73 CarbonylContact O-C 3.31Å; E71-S74 WeakPolarHBondContact O-CA 3.33Å; E71-S74 PolarHBondContact O-N 3.4Å; E71-T96 HydrophobicContact CG-CG2 4.13Å; E71-R159 IonicContact OE2-CZ 2.71Å; E71-R159 VanDerWaalsContact OE2-CZ 3.22Å; E71-R159 IonicContact OE2-NE 3.2Å; E71-R159 PolarHBondContact OE2-NE 3.5Å; E71-R159 IonicContact OE2-NH2 3.75Å; E71-R159 PolarHBondContact OE2-NH2 2.93Å; E71-R162 VanDerWaalsContact CD-NH2 3.29Å; E71-R162 IonicContact OE1-CZ 3.41Å; E71-R162 IonicContact OE1-NH1 3.97Å; E71-R162 PolarHBondContact OE1-NH1 2.93Å; E71-R162 IonicContact OE1-NH2 3.01Å; E71-R162 PolarHBondContact OE1-NH2 3.17Å; E71-R162 IonicContact OE2-NH2 3.16Å; E71-R162 PolarHBondContact OE2-NH2 2.97Å
72W86.6Confident91.9Very high94 Ų9448 Ų4836%0.35625%0.249SC..SBendtrans-78130.7173.3-173.874.5000111.5Y154 R159W72-Y154 HydrophobicContact CE3-CD2 4.08Å; W72-Y154 AromaticContact CH2-CD2 3.49Å; W72-Y154 HydrophobicContact CH2-CD2 3.49Å; W72-Y154 VanDerWaalsContact CH2-CD2 3.49Å; W72-Y154 HydrophobicContact CH2-CE2 4.31Å; W72-Y154 HydrophobicContact CH2-CG 4.4Å; W72-Y154 HydrophobicContact CZ2-CD2 4.42Å; W72-Y154 AromaticContact CZ3-CD2 3.29Å; W72-Y154 HydrophobicContact CZ3-CD2 3.29Å; W72-Y154 HydrophobicContact CZ3-CE2 4.22Å; W72-Y154 AromaticContact CZ3-CG 3.99Å; W72-Y154 HydrophobicContact CZ3-CG 3.99Å; W72-R159 PolarHBondContact O-NH1 3.38Å; W72-R159 PolarHBondContact O-NH2 3.3Å
73P89.1Confident91.6Very high13 Ų1348.4 Ų48.48%0.08424%0.241CC..SBendcis-74.5132.1-6.629.7-33.1000112.7E71 M565 N602E71-P73 CarbonylContact O-C 3.31Å; P73-M565 HydrophobicContact CG-CE 3.59Å; P73-N602 WeakPolarHBondContact CG-O 3.49Å
74S91Very high91.2Very high3 Ų349.8 Ų49.82%0.02125%0.249CC..PPolyproline II helixtrans-77.8139-175.2177.30000111.8F69 E71 L76 P88 P89F69-S74 PolarHBondContact O-OG 2.99Å; F69-S74 VanDerWaalsContact O-OG 3.11Å; E71-S74 WeakPolarHBondContact O-CA 3.33Å; E71-S74 PolarHBondContact O-N 3.4Å; S74-L76 VanDerWaalsContact C-N 3.3Å; S74-L76 WeakPolarHBondContact OG-CB 3.26Å; S74-L76 WeakPolarHBondContact OG-CG 3.32Å; S74-L76 PolarHBondContact OG-N 3.5Å; S74-P88 VanDerWaalsContact O-CB 3.3Å; S74-P88 WeakPolarHBondContact O-CB 3.3Å; S74-P89 VanDerWaalsContact CB-O 3.3Å; S74-P89 WeakPolarHBondContact CB-O 3.47Å
75S92.3Very high90.6Very high13 Ų1357.3 Ų57.39%0.09128%0.281CS..  trans-86.45.4175.2-71.50000114F69 T77 D603 F604 A605F69-S75 PolarHBondContact O-N 3.19Å; S75-T77 PolarHBondContact O-N 3.46Å; S75-D603 WeakPolarHBondContact CA-OD2 3.21Å; S75-D603 VanDerWaalsContact CB-OD2 3.27Å; S75-D603 WeakPolarHBondContact CB-OD2 3.48Å; S75-D603 WeakPolarHBondContact OG-CB 3.36Å; S75-D603 PolarHBondContact OG-OD2 2.96Å; S75-F604 PolarHBondContact OG-N 3.07Å; S75-F604 VanDerWaalsContact OG-N 3.11Å; S75-A605 WeakPolarHBondContact OG-CB 3.21Å; S75-A605 PolarHBondContact OG-N 3.18Å
76L89.9Confident90.2Very high90 Ų9060.1 Ų60.147%0.47130%0.297SS..  trans-79.153.9-177.9-65.3176.5000112.3F70 S74 P89F70-L76 HydrophobicContact CD1-CD1 3.67Å; F70-L76 HydrophobicContact CD1-CG 4.39Å; F70-L76 HydrophobicContact CE1-CD1 3.92Å; F70-L76 HydrophobicContact CE1-CD2 4.19Å; S74-L76 VanDerWaalsContact C-N 3.3Å; S74-L76 WeakPolarHBondContact OG-CB 3.26Å; S74-L76 WeakPolarHBondContact OG-CG 3.32Å; S74-L76 PolarHBondContact OG-N 3.5Å; L76-P89 HydrophobicContact CB-CG 3.64Å; L76-P89 HydrophobicContact CD1-CG 4.24Å; L76-P89 VanDerWaalsContact O-CD 3.22Å; L76-P89 WeakPolarHBondContact O-CD 3.44Å
77T89.7Confident89.7Confident43 Ų4365 Ų6526%0.26431%0.314SS..SBendtrans-112153.1170.360.10000110.2S75 S79 L86 P88S75-T77 PolarHBondContact O-N 3.46Å; T77-S79 WeakPolarHBondContact CB-O 3.29Å; T77-S79 PolarHBondContact O-N 3.44Å; T77-S79 PolarHBondContact OG1-O 2.9Å; T77-L86 HydrophobicContact CG2-CB 4.38Å; T77-P88 HydrophobicContact CG2-CB 3.88Å
78M87.5Confident89.3Confident168 Ų16866.3 Ų66.383%0.82832%0.324SS*.SBendtrans-69.7-26.4177.4-175.262.168.300112.3
79S90.8Very high89Confident43 Ų4369.5 Ų69.530%0.30134%0.344SS..  trans-144.5145178.2-178.20000109T77 D81T77-S79 WeakPolarHBondContact CB-O 3.29Å; T77-S79 PolarHBondContact O-N 3.44Å; T77-S79 PolarHBondContact OG1-O 2.9Å; S79-D81 VanDerWaalsContact C-N 3.33Å; S79-D81 WeakPolarHBondContact OG-CB 3.33Å; S79-D81 PolarHBondContact OG-N 3.47Å; S79-D81 VanDerWaalsContact OG-N 3.13Å
80S91.3Very high88.5Confident38 Ų3870.7 Ų70.727%0.26635%0.353SS..  trans-84.3-6.8169.856.70000112.5I82 S598 H600S80-I82 PolarHBondContact O-N 2.9Å; S80-S598 WeakPolarHBondContact OG-CB 3.35Å; S80-S598 PolarHBondContact OG-O 3.4Å; S80-H600 PolarHBondContact O-NE2 2.92Å
81D92Very high88.2Confident21 Ų2168 Ų6811%0.11235%0.346CS..  trans-59.1112.8-175.9-170.8-15.7000112S79 R83 L84 W597S79-D81 VanDerWaalsContact C-N 3.33Å; S79-D81 WeakPolarHBondContact OG-CB 3.33Å; S79-D81 PolarHBondContact OG-N 3.47Å; S79-D81 VanDerWaalsContact OG-N 3.13Å; D81-R83 PolarHBondContact O-N 3Å; D81-R83 VanDerWaalsContact O-N 3.09Å; D81-R83 VanDerWaalsContact OD1-CB 3.25Å; D81-R83 WeakPolarHBondContact OD1-CB 3.47Å; D81-R83 VanDerWaalsContact OD1-CG 3.27Å; D81-R83 WeakPolarHBondContact OD1-CG 3.34Å; D81-R83 PolarHBondContact OD1-N 3.45Å; D81-R83 IonicContact OD1-NE 3.07Å; D81-R83 PolarHBondContact OD1-NE 3.14Å; D81-R83 IonicContact OD2-CZ 3.26Å; D81-R83 VanDerWaalsContact OD2-CZ 3.26Å; D81-R83 IonicContact OD2-NE 3.02Å; D81-R83 PolarHBondContact OD2-NE 2.87Å; D81-R83 IonicContact OD2-NH2 2.69Å; D81-R83 PolarHBondContact OD2-NH2 3.31Å; D81-L84 HydrophobicContact CB-CD1 4.11Å; D81-L84 HydrophobicContact CB-CG 4.19Å; D81-L84 PolarHBondContact O-N 3.45Å; D81-W597 WeakPolarHBondContact OD1-CB 3.33Å
82I89.8Confident88.1Confident32 Ų3272.3 Ų72.316%0.16437%0.374CS..G310 helixtrans-58.6-26.9-177.2-58.6163.3000111.1S80 L84 K85 I572 W597 H600S80-I82 PolarHBondContact O-N 2.9Å; I82-L84 VanDerWaalsContact C-N 3.28Å; I82-L84 PolarHBondContact O-N 3.35Å; I82-K85 PolarHBondContact O-N 3Å; I82-I572 HydrophobicContact CD1-CB 4.46Å; I82-I572 HydrophobicContact CD1-CG2 4.2Å; I82-W597 WeakPolarHBondContact CD1-O 3.33Å; I82-W597 WeakPolarHBondContact CG1-O 3.28Å; I82-H600 HydrophobicContact CD1-CB 4.09Å
83R89Confident88.1Confident93 Ų9371.4 Ų71.435%0.35138%0.382SS..G310 helixtrans-65-32.1179.2-60.2179-65.6173.91.8112.6D81 K85 Y574 W597D81-R83 PolarHBondContact O-N 3Å; D81-R83 VanDerWaalsContact O-N 3.09Å; D81-R83 VanDerWaalsContact OD1-CB 3.25Å; D81-R83 WeakPolarHBondContact OD1-CB 3.47Å; D81-R83 VanDerWaalsContact OD1-CG 3.27Å; D81-R83 WeakPolarHBondContact OD1-CG 3.34Å; D81-R83 PolarHBondContact OD1-N 3.45Å; D81-R83 IonicContact OD1-NE 3.07Å; D81-R83 PolarHBondContact OD1-NE 3.14Å; D81-R83 IonicContact OD2-CZ 3.26Å; D81-R83 VanDerWaalsContact OD2-CZ 3.26Å; D81-R83 IonicContact OD2-NE 3.02Å; D81-R83 PolarHBondContact OD2-NE 2.87Å; D81-R83 IonicContact OD2-NH2 2.69Å; D81-R83 PolarHBondContact OD2-NH2 3.31Å; R83-K85 VanDerWaalsContact C-N 3.27Å; R83-K85 PolarHBondContact O-N 3.33Å; R83-Y574 HydrophobicContact CB-CD1 4.15Å; R83-Y574 HydrophobicContact CB-CE1 4.32Å; R83-Y574 HydrophobicContact CB-CG 4.46Å; R83-Y574 HydrophobicContact CG-CD1 3.79Å; R83-Y574 HydrophobicContact CG-CD2 3.79Å; R83-Y574 HydrophobicContact CG-CE1 4.03Å; R83-Y574 HydrophobicContact CG-CE2 4.07Å; R83-Y574 HydrophobicContact CG-CG 3.65Å; R83-W597 HydrophobicContact CG-CB 4.25Å; R83-W597 HydrophobicContact CG-CD2 4.48Å; R83-W597 HydrophobicContact CG-CG 4.04Å
84L87.4Confident88.1Confident102 Ų10272.2 Ų72.253%0.53439%0.392SS..G310 helixtrans-76.8-13.3-178-61.7177.3000112.9D81 I82 L86D81-L84 HydrophobicContact CB-CD1 4.11Å; D81-L84 HydrophobicContact CB-CG 4.19Å; D81-L84 PolarHBondContact O-N 3.45Å; I82-L84 VanDerWaalsContact C-N 3.28Å; I82-L84 PolarHBondContact O-N 3.35Å; L84-L86 HydrophobicContact CB-CD1 4.26Å; L84-L86 HydrophobicContact CB-CG 3.99Å; L84-L86 HydrophobicContact CD1-CD1 4.38Å; L84-L86 PolarHBondContact O-N 3.48Å; L84-L86 VanDerWaalsContact O-N 3.11Å
85K82Confident88.1Confident161 Ų16175.8 Ų75.870%0.741%0.413SS*.  trans46.241.7178.6-62.3-175.3178.7-178.10113.5I82 R83 K87I82-K85 PolarHBondContact O-N 3Å; R83-K85 VanDerWaalsContact C-N 3.27Å; R83-K85 PolarHBondContact O-N 3.33Å; K85-K87 PolarHBondContact O-N 3Å
86L85.5Confident88.1Confident84 Ų8475.7 Ų75.744%0.4441%0.412SS..PPolyproline II helixtrans-69.5128.4178-65.2169.5000109.8T77 L84 P88T77-L86 HydrophobicContact CG2-CB 4.38Å; L84-L86 HydrophobicContact CB-CD1 4.26Å; L84-L86 HydrophobicContact CB-CG 3.99Å; L84-L86 HydrophobicContact CD1-CD1 4.38Å; L84-L86 PolarHBondContact O-N 3.48Å; L84-L86 VanDerWaalsContact O-N 3.11Å; L86-P88 WeakPolarHBondContact O-CD 3.32Å
87K85.1Confident88.2Confident191 Ų19171.5 Ų71.583%0.8339%0.391SS*.PPolyproline II helixtrans-85.1119.4177.9-169.8175.5-178.8178.90109.9K85K85-K87 PolarHBondContact O-N 3Å
88P86Confident88.3Confident38 Ų3871.4 Ų71.425%0.24740%0.398CS..PPolyproline II helixtrans-70.6147.3-179.728.2-34000111.5S74 T77 L86 N90S74-P88 VanDerWaalsContact O-CB 3.3Å; S74-P88 WeakPolarHBondContact O-CB 3.3Å; T77-P88 HydrophobicContact CG2-CB 3.88Å; L86-P88 WeakPolarHBondContact O-CD 3.32Å; P88-N90 PolarHBondContact O-N 3.35Å
89P87.3Confident88.7Confident71 Ų7166.7 Ų66.746%0.46138%0.375SS..PPolyproline II helixtrans-72.2118.8172.430.5-32.2000109.2S74 L76S74-P89 VanDerWaalsContact CB-O 3.3Å; S74-P89 WeakPolarHBondContact CB-O 3.47Å; L76-P89 HydrophobicContact CB-CG 3.64Å; L76-P89 HydrophobicContact CD1-CG 4.24Å; L76-P89 VanDerWaalsContact O-CD 3.22Å; L76-P89 WeakPolarHBondContact O-CD 3.44Å
90N84Confident88.9Confident82 Ų8264.6 Ų64.644%0.43936%0.361SS..PPolyproline II helixtrans-98.5124.9178.6-66.2-26.1000109.7P88P88-N90 PolarHBondContact O-N 3.35Å
91P86.6Confident89Confident47 Ų4768 Ų6831%0.30537%0.371SS..PPolyproline II helixtrans-66151174.829.2-35000110.5F70 T96F70-P91 VanDerWaalsContact O-CD 3.27Å; F70-P91 WeakPolarHBondContact O-CD 3.43Å; F70-P91 VanDerWaalsContact O-CG 3.26Å; F70-P91 WeakPolarHBondContact O-CG 3.42Å; P91-T96 HydrophobicContact CB-CG2 4.42Å; P91-T96 HydrophobicContact CG-CG2 3.82Å
92P88.3Confident89.2Confident92 Ų9271.9 Ų71.960%0.59739%0.391SS*.PPolyproline II helixtrans-61.8144.7173.624.7-30.9000110.9G94 V95P92-G94 PolarHBondContact O-N 2.72Å; P92-V95 HydrophobicContact CG-CG2 3.8Å; P92-V95 PolarHBondContact O-N 3.34Å
93C86.4Confident89.5Confident75 Ų7570.5 Ų70.551%0.50738%0.384SS..THydrogen-bonded Turntrans-56.3136177.3175.20000110.4R150 C151C93-R150 PolarHBondContact SG-O 2.91Å; C93-C151 VanDerWaalsContact CA-SG 3.58Å; C93-C151 HydrophobicContact CB-CB 3.7Å; C93-C151 WeakPolarHBondContact CB-SG 3.44Å; C93-C151 WeakPolarHBondContact SG-CB 3.23Å; C93-C151 CovalentContact SG-SG 2.04Å; C93-C151 PolarHBondContact SG-SG 2.83Å
94G87.2Confident89.7Confident30 Ų3066.3 Ų66.331%0.30937%0.369SS..THydrogen-bonded Turntrans99.7-25-179.200000115.1P92 G98P92-G94 PolarHBondContact O-N 2.72Å; G94-G98 PolarHBondContact O-N 3.29Å
95V91.8Very high90.1Very high77 Ų7765.1 Ų65.147%0.46736%0.362SS..Hα-helixtrans-68.7-52.6179174.70000111.3P92 E97 G98 I99P92-V95 HydrophobicContact CG-CG2 3.8Å; P92-V95 PolarHBondContact O-N 3.34Å; V95-E97 VanDerWaalsContact C-N 3.35Å; V95-G98 PolarHBondContact O-N 3.42Å; V95-I99 HydrophobicContact CG1-CD1 4.25Å; V95-I99 WeakPolarHBondContact O-CG1 3.29Å; V95-I99 PolarHBondContact O-N 2.88Å; V95-I99 VanDerWaalsContact O-N 3.13Å
96T92.4Very high90.7Very high11 Ų1158.2 Ų58.27%0.06733%0.333CS..Hα-helixtrans-63.3-44.1177.953.70000110.9E71 P91 G98 I99 E100E71-T96 HydrophobicContact CG-CG2 4.13Å; P91-T96 HydrophobicContact CB-CG2 4.42Å; P91-T96 HydrophobicContact CG-CG2 3.82Å; T96-G98 VanDerWaalsContact C-N 3.33Å; T96-G98 PolarHBondContact O-N 3.21Å; T96-I99 PolarHBondContact O-N 3.39Å; T96-E100 WeakPolarHBondContact O-CG 3.37Å; T96-E100 PolarHBondContact O-N 3.45Å
97E92Very high91.1Very high3 Ų354.2 Ų54.21%0.01431%0.312CS..Hα-helixtrans-63.8-36.4179.6-51.2-53.2156.300112.3V95 E100 F101 L143 L147 R156 R158V95-E97 VanDerWaalsContact C-N 3.35Å; E97-E100 PolarHBondContact O-N 2.96Å; E97-F101 WeakPolarHBondContact O-CB 3.41Å; E97-F101 PolarHBondContact O-N 3.41Å; E97-L143 HydrophobicContact CB-CD1 3.91Å; E97-L143 HydrophobicContact CG-CD1 4.41Å; E97-L143 WeakPolarHBondContact OE2-CD1 3.35Å; E97-L147 HydrophobicContact CB-CD2 4.05Å; E97-L147 HydrophobicContact CG-CD2 4.24Å; E97-R156 IonicContact OE1-CZ 2.9Å; E97-R156 IonicContact OE1-NH1 2.74Å; E97-R156 PolarHBondContact OE1-NH1 3.23Å; E97-R158 IonicContact OE1-NH2 3.83Å; E97-R158 PolarHBondContact OE1-NH2 2.92Å; E97-R158 IonicContact OE2-CZ 3.72Å; E97-R158 IonicContact OE2-NE 2.79Å; E97-R158 PolarHBondContact OE2-NE 3.01Å; E97-R158 IonicContact OE2-NH2 2.78Å; E97-R158 PolarHBondContact OE2-NH2 3.43Å
98G93Very high91.5Very high40 Ų4046 Ų4641%0.41228%0.279SS..Hα-helixtrans-67.6-39.6174.700000112.8G94 V95 T96 F101 L102G94-G98 PolarHBondContact O-N 3.29Å; V95-G98 PolarHBondContact O-N 3.42Å; T96-G98 VanDerWaalsContact C-N 3.33Å; T96-G98 PolarHBondContact O-N 3.21Å; G98-F101 PolarHBondContact O-N 3.05Å; G98-L102 PolarHBondContact O-N 3.42Å
99I94.7Very high91.9Very high69 Ų6947.8 Ų47.835%0.35429%0.286SS..Hα-helixtrans-65.5-42.4173.7-65.1167.2000110.4I63 L67 V95 T96 L102 C103I63-I99 HydrophobicContact CG2-CG2 3.58Å; L67-I99 HydrophobicContact CD1-CG2 4.2Å; V95-I99 HydrophobicContact CG1-CD1 4.25Å; V95-I99 WeakPolarHBondContact O-CG1 3.29Å; V95-I99 PolarHBondContact O-N 2.88Å; V95-I99 VanDerWaalsContact O-N 3.13Å; T96-I99 PolarHBondContact O-N 3.39Å; I99-L102 PolarHBondContact O-N 3.37Å; I99-C103 PolarHBondContact O-N 3.22Å; I99-C103 PolarHBondContact O-SG 2.92Å
100E94.4Very high92.2Very high0 Ų046 Ų460%027%0.271CS..Hα-helixtrans-57.5-50.8173.9-71.9-175.2-169.900111.2L64 L67 T96 E97 L102 C103 L104 Y139 R158 R162L64-E100 HydrophobicContact CD2-CG 4.3Å; L67-E100 HydrophobicContact CD2-CG 3.2Å; L67-E100 WeakPolarHBondContact CD2-OE1 3.49Å; T96-E100 WeakPolarHBondContact O-CG 3.37Å; T96-E100 PolarHBondContact O-N 3.45Å; E97-E100 PolarHBondContact O-N 2.96Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 3.44Å; E100-C103 PolarHBondContact O-N 3.42Å; E100-C103 VanDerWaalsContact O-N 3.16Å; E100-L104 VanDerWaalsContact O-CG 3.31Å; E100-L104 WeakPolarHBondContact O-CG 3.43Å; E100-L104 PolarHBondContact O-N 3.49Å; E100-Y139 WeakPolarHBondContact OE2-CE1 3.42Å; E100-Y139 PolarHBondContact OE2-OH 2.85Å; E100-R158 WeakPolarHBondContact OE2-CD 3.04Å; E100-R158 IonicContact OE2-NE 3.14Å; E100-R158 PolarHBondContact OE2-NE 3.24Å; E100-R162 IonicContact OE1-CZ 2.95Å; E100-R162 IonicContact OE1-NH2 3.94Å; E100-R162 PolarHBondContact OE1-NH2 3.16Å
101F94.3Very high92.6Very high110 Ų11042.1 Ų42.148%0.48225%0.251SS..Hα-helixtrans-57.9-44.6-179.4-177.3-104.1000112.1E97 G98 C103 L104 L105 L140 L143E97-F101 WeakPolarHBondContact O-CB 3.41Å; E97-F101 PolarHBondContact O-N 3.41Å; G98-F101 PolarHBondContact O-N 3.05Å; F101-C103 PolarHBondContact O-N 3.32Å; F101-L104 PolarHBondContact O-N 3.5Å; F101-L105 WeakPolarHBondContact O-CB 3.34Å; F101-L105 PolarHBondContact O-N 2.9Å; F101-L140 HydrophobicContact CD2-CD2 4.35Å; F101-L140 HydrophobicContact CE2-CD2 4.38Å; F101-L143 HydrophobicContact CB-CD2 4.17Å; F101-L143 HydrophobicContact CD2-CD2 4.06Å
102L95.4Very high92.9Very high101 Ų10144.5 Ų44.553%0.52926%0.26SS..Hα-helixtrans-61.1-44.5176.9-178.363.9000111.8G98 I99 E100 L104 L105 I106G98-L102 PolarHBondContact O-N 3.42Å; I99-L102 PolarHBondContact O-N 3.37Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 3.44Å; L102-L104 PolarHBondContact O-N 3.3Å; L102-L105 PolarHBondContact O-N 3.47Å; L102-I106 HydrophobicContact CG-CD1 4.3Å; L102-I106 WeakPolarHBondContact O-CD1 3.37Å; L102-I106 WeakPolarHBondContact O-CG1 3.41Å; L102-I106 PolarHBondContact O-N 2.93Å
103C96.1Very high93.1Very high4 Ų440.9 Ų40.93%0.02724%0.235CC..Hα-helixtrans-62.9-42.7177.3-66.70000111.6L64 I99 E100 F101 L105 I106 I107L64-C103 HydrophobicContact CD1-CB 3.95Å; L64-C103 HydrophobicContact CD2-CB 3.86Å; L64-C103 HydrophobicContact CG-CB 3.68Å; I99-C103 PolarHBondContact O-N 3.22Å; I99-C103 PolarHBondContact O-SG 2.92Å; E100-C103 PolarHBondContact O-N 3.42Å; E100-C103 VanDerWaalsContact O-N 3.16Å; F101-C103 PolarHBondContact O-N 3.32Å; C103-L105 VanDerWaalsContact C-N 3.34Å; C103-L105 PolarHBondContact O-N 3.16Å; C103-I106 PolarHBondContact O-N 3.06Å; C103-I107 VanDerWaalsContact O-CG1 3.23Å; C103-I107 WeakPolarHBondContact O-CG1 3.33Å; C103-I107 PolarHBondContact O-N 3.36Å
104L94.8Very high93.3Very high4 Ų439.6 Ų39.62%0.02122%0.223CC..Hα-helixtrans-64.4-38.1177-67.9172.1000112.2E100 F101 L102 I106 I107 S108 Y139 L140 F165E100-L104 VanDerWaalsContact O-CG 3.31Å; E100-L104 WeakPolarHBondContact O-CG 3.43Å; E100-L104 PolarHBondContact O-N 3.49Å; F101-L104 PolarHBondContact O-N 3.5Å; L102-L104 PolarHBondContact O-N 3.3Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-I106 PolarHBondContact O-N 3.29Å; L104-I107 PolarHBondContact O-N 3.5Å; L104-S108 VanDerWaalsContact O-CB 3.28Å; L104-S108 WeakPolarHBondContact O-CB 3.28Å; L104-S108 PolarHBondContact O-N 2.93Å; L104-S108 PolarHBondContact O-OG 3.41Å; L104-Y139 HydrophobicContact CD1-CD1 3.28Å; L104-Y139 HydrophobicContact CD1-CE1 3.45Å; L104-Y139 VanDerWaalsContact CD1-CE1 3.45Å; L104-Y139 HydrophobicContact CD1-CG 4.07Å; L104-Y139 HydrophobicContact CD2-CD1 4.13Å; L104-Y139 HydrophobicContact CD2-CD2 4.34Å; L104-Y139 HydrophobicContact CD2-CE1 4.21Å; L104-Y139 HydrophobicContact CD2-CE2 4.38Å; L104-Y139 HydrophobicContact CD2-CG 4.19Å; L104-Y139 HydrophobicContact CG-CD1 4.26Å; L104-Y139 HydrophobicContact CG-CE1 4.2Å; L104-L140 HydrophobicContact CD1-CD2 4.14Å; L104-F165 HydrophobicContact CD2-CE2 4.08Å; L104-F165 HydrophobicContact CD2-CZ 4.28Å
105L95.1Very high93.5Very high77 Ų7739 Ų3940%0.40322%0.215SC..Hα-helixtrans-61-44.3176.5-176.767.6000111.1F101 L102 C103 I107 S108 I109F101-L105 WeakPolarHBondContact O-CB 3.34Å; F101-L105 PolarHBondContact O-N 2.9Å; L102-L105 PolarHBondContact O-N 3.47Å; C103-L105 VanDerWaalsContact C-N 3.34Å; C103-L105 PolarHBondContact O-N 3.16Å; L105-I107 PolarHBondContact O-N 2.84Å; L105-S108 PolarHBondContact O-N 3.06Å; L105-S108 PolarHBondContact O-OG 3.17Å; L105-I109 HydrophobicContact CD1-CD1 4.44Å; L105-I109 HydrophobicContact CG-CD1 4.03Å; L105-I109 WeakPolarHBondContact O-CD1 3.5Å; L105-I109 VanDerWaalsContact O-CG1 3.22Å; L105-I109 WeakPolarHBondContact O-CG1 3.3Å; L105-I109 PolarHBondContact O-N 3.5Å
106I95.1Very high93.5Very high16 Ų1637 Ų378%0.08221%0.209CC..Hα-helixtrans-62.4-46176.3-67.3158.3000110.6L56 H57 S60 L102 C103 L104 S108 I109 Q110L56-I106 HydrophobicContact CB-CG2 4.36Å; L56-I106 HydrophobicContact CD1-CD1 3.86Å; L56-I106 HydrophobicContact CD2-CD1 3.9Å; L56-I106 HydrophobicContact CD2-CG1 3.84Å; L56-I106 HydrophobicContact CD2-CG2 3.99Å; L56-I106 HydrophobicContact CG-CD1 3.72Å; L56-I106 HydrophobicContact CG-CG1 4.07Å; L56-I106 HydrophobicContact CG-CG2 3.76Å; H57-I106 HydrophobicContact CB-CG2 4.48Å; S60-I106 VanDerWaalsContact OG-CD1 3.28Å; S60-I106 WeakPolarHBondContact OG-CD1 3.49Å; L102-I106 HydrophobicContact CG-CD1 4.3Å; L102-I106 WeakPolarHBondContact O-CD1 3.37Å; L102-I106 WeakPolarHBondContact O-CG1 3.41Å; L102-I106 PolarHBondContact O-N 2.93Å; C103-I106 PolarHBondContact O-N 3.06Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-I106 PolarHBondContact O-N 3.29Å; I106-S108 VanDerWaalsContact C-N 3.26Å; I106-S108 PolarHBondContact O-N 3.36Å; I106-I109 PolarHBondContact O-N 3.4Å; I106-Q110 PolarHBondContact O-N 3.18Å
107I94.2Very high93.3Very high0 Ų036.5 Ų36.50%021%0.206CC..Hα-helixtrans-62.8-34.9179.3-70169.7000111.4L61 L64 C103 L104 L105 S111 K132 F165L61-I107 HydrophobicContact CD2-CD1 3.93Å; L64-I107 HydrophobicContact CD1-CD1 3.48Å; L64-I107 VanDerWaalsContact CD1-CD1 3.48Å; C103-I107 VanDerWaalsContact O-CG1 3.23Å; C103-I107 WeakPolarHBondContact O-CG1 3.33Å; C103-I107 PolarHBondContact O-N 3.36Å; L104-I107 PolarHBondContact O-N 3.5Å; L105-I107 PolarHBondContact O-N 2.84Å; I107-S111 PolarHBondContact O-N 3.31Å; I107-K132 PolarHBondContact O-NZ 3.3Å; I107-F165 HydrophobicContact CG2-CD1 4.12Å
108S93.5Very high93.1Very high20 Ų2037.2 Ų37.214%0.1421%0.209CC..Hα-helixtrans-74.3-44.1179.580.90000111.5L104 L105 I106 Q110 S111 I112L104-S108 VanDerWaalsContact O-CB 3.28Å; L104-S108 WeakPolarHBondContact O-CB 3.28Å; L104-S108 PolarHBondContact O-N 2.93Å; L104-S108 PolarHBondContact O-OG 3.41Å; L105-S108 PolarHBondContact O-N 3.06Å; L105-S108 PolarHBondContact O-OG 3.17Å; I106-S108 VanDerWaalsContact C-N 3.26Å; I106-S108 PolarHBondContact O-N 3.36Å; S108-Q110 VanDerWaalsContact C-N 3.35Å; S108-Q110 PolarHBondContact O-N 2.64Å; S108-S111 WeakPolarHBondContact O-CA 3.28Å; S108-S111 VanDerWaalsContact O-CB 3.3Å; S108-S111 WeakPolarHBondContact O-CB 3.42Å; S108-S111 PolarHBondContact O-N 2.84Å; S108-S111 VanDerWaalsContact O-N 3.11Å; S108-I112 VanDerWaalsContact O-CG1 3.28Å; S108-I112 WeakPolarHBondContact O-CG1 3.07Å; S108-I112 PolarHBondContact O-N 3.27Å
109I94.3Very high92.9Very high75 Ų7535.5 Ų35.539%0.38519%0.192SC..Hα-helixtrans-55.4-50.5175.6-71.6164.8000110L105 I106 S111 I112 L113L105-I109 HydrophobicContact CD1-CD1 4.44Å; L105-I109 HydrophobicContact CG-CD1 4.03Å; L105-I109 WeakPolarHBondContact O-CD1 3.5Å; L105-I109 VanDerWaalsContact O-CG1 3.22Å; L105-I109 WeakPolarHBondContact O-CG1 3.3Å; L105-I109 PolarHBondContact O-N 3.5Å; I106-I109 PolarHBondContact O-N 3.4Å; I109-S111 VanDerWaalsContact C-N 3.31Å; I109-S111 PolarHBondContact O-N 3.14Å; I109-I112 PolarHBondContact O-N 3.15Å; I109-L113 HydrophobicContact CG2-CD1 4.11Å; I109-L113 HydrophobicContact CG2-CG 4.48Å; I109-L113 WeakPolarHBondContact O-CG 3.21Å; I109-L113 PolarHBondContact O-N 3.25Å
110Q92.9Very high92.5Very high32 Ų3238.4 Ų38.415%0.1521%0.207CC..Hα-helixtrans-63-39.2179.2-165.3-17429.500112S48 L53 H57 I106 S108 L113 L114S48-Q110 PolarHBondContact O-NE2 3.14Å; S48-Q110 VanDerWaalsContact O-NE2 3.14Å; L53-Q110 HydrophobicContact CD2-CB 4.36Å; L53-Q110 HydrophobicContact CD2-CG 4.22Å; H57-Q110 PolarHBondContact CD2-OE1 3.49Å; H57-Q110 PolarHBondContact CE1-OE1 2.85Å; H57-Q110 PolarHBondContact ND1-OE1 3.05Å; H57-Q110 VanDerWaalsContact ND1-OE1 3.09Å; H57-Q110 PolarHBondContact NE2-OE1 3.29Å; I106-Q110 PolarHBondContact O-N 3.18Å; S108-Q110 VanDerWaalsContact C-N 3.35Å; S108-Q110 PolarHBondContact O-N 2.64Å; Q110-L113 PolarHBondContact O-N 3.18Å; Q110-L114 WeakPolarHBondContact O-CB 3.5Å; Q110-L114 PolarHBondContact O-N 3.49Å
111S91.7Very high92.2Very high2 Ų242.7 Ų42.71%0.01424%0.235CC..Hα-helixtrans-60-43.6174.3-96.50000112.9I107 S108 I109 L114 S115 K132 Y133I107-S111 PolarHBondContact O-N 3.31Å; S108-S111 WeakPolarHBondContact O-CA 3.28Å; S108-S111 VanDerWaalsContact O-CB 3.3Å; S108-S111 WeakPolarHBondContact O-CB 3.42Å; S108-S111 PolarHBondContact O-N 2.84Å; S108-S111 VanDerWaalsContact O-N 3.11Å; I109-S111 VanDerWaalsContact C-N 3.31Å; I109-S111 PolarHBondContact O-N 3.14Å; S111-L114 PolarHBondContact O-N 3.02Å; S111-S115 PolarHBondContact O-N 3.37Å; S111-S115 PolarHBondContact O-OG 3.47Å; S111-S115 VanDerWaalsContact O-OG 3.12Å; S111-K132 WeakPolarHBondContact OG-CD 3.43Å; S111-K132 WeakPolarHBondContact OG-CE 3.34Å; S111-K132 PolarHBondContact OG-NZ 3.4Å; S111-Y133 PolarHBondContact O-OH 3.48Å
112I93.4Very high91.8Very high97 Ų9739.8 Ų39.850%0.49722%0.221SC..Hα-helixtrans-66.1-44.6179.7-67.3162.7000110.3S108 I109 L114 S115 G116S108-I112 VanDerWaalsContact O-CG1 3.28Å; S108-I112 WeakPolarHBondContact O-CG1 3.07Å; S108-I112 PolarHBondContact O-N 3.27Å; I109-I112 PolarHBondContact O-N 3.15Å; I112-L114 VanDerWaalsContact C-N 3.32Å; I112-L114 PolarHBondContact O-N 2.83Å; I112-S115 PolarHBondContact O-N 3.07Å; I112-G116 PolarHBondContact O-N 2.76Å
113L93.1Very high91.4Very high16 Ų1635.6 Ų35.68%0.08420%0.2CC..Hα-helixtrans-59.2-43.5175.7-68.1175.2000111.7M44 L47 L53 I109 Q110 G116 A117M44-L113 HydrophobicContact CE-CD2 3.56Å; M44-L113 HydrophobicContact SD-CD2 3.49Å; M44-L113 WeakPolarHBondContact SD-CD2 3.37Å; L47-L113 HydrophobicContact CD2-CD1 3.84Å; L47-L113 HydrophobicContact CD2-CD2 3.98Å; L47-L113 HydrophobicContact CG-CD1 3.97Å; L53-L113 HydrophobicContact CD2-CD1 3.61Å; I109-L113 HydrophobicContact CG2-CD1 4.11Å; I109-L113 HydrophobicContact CG2-CG 4.48Å; I109-L113 WeakPolarHBondContact O-CG 3.21Å; I109-L113 PolarHBondContact O-N 3.25Å; Q110-L113 PolarHBondContact O-N 3.18Å; L113-G116 PolarHBondContact O-N 3.47Å; L113-A117 WeakPolarHBondContact O-CB 3.45Å; L113-A117 PolarHBondContact O-N 3.14Å
114L90.8Very high91Very high47 Ų4745 Ų4525%0.24624%0.235CC..Hα-helixtrans-63.9-44.2177.4-167.470.9000111.7Q110 S111 I112 G116 A117 F118 W122Q110-L114 WeakPolarHBondContact O-CB 3.5Å; Q110-L114 PolarHBondContact O-N 3.49Å; S111-L114 PolarHBondContact O-N 3.02Å; I112-L114 VanDerWaalsContact C-N 3.32Å; I112-L114 PolarHBondContact O-N 2.83Å; L114-G116 VanDerWaalsContact C-N 3.29Å; L114-G116 PolarHBondContact O-N 3.15Å; L114-A117 PolarHBondContact O-N 3.12Å; L114-F118 HydrophobicContact CD1-CD2 3.78Å; L114-F118 HydrophobicContact CD1-CE2 3.47Å; L114-F118 VanDerWaalsContact CD1-CE2 3.47Å; L114-F118 HydrophobicContact CG-CD2 4.04Å; L114-F118 HydrophobicContact CG-CE2 4.18Å; L114-F118 WeakPolarHBondContact O-CD2 3.19Å; L114-F118 PolarHBondContact O-N 3.42Å; L114-F118 VanDerWaalsContact O-N 3.09Å; L114-W122 HydrophobicContact CD2-CH2 4.38Å
115S91.3Very high90.7Very high19 Ų1952.4 Ų52.413%0.13327%0.269CS..Hα-helixtrans-60.5-38.2174.9-68.40000112.4S111 I112 G119 Y133S111-S115 PolarHBondContact O-N 3.37Å; S111-S115 PolarHBondContact O-OG 3.47Å; S111-S115 VanDerWaalsContact O-OG 3.12Å; I112-S115 PolarHBondContact O-N 3.07Å; S115-G119 VanDerWaalsContact O-CA 3.31Å; S115-G119 WeakPolarHBondContact O-CA 3.21Å; S115-G119 PolarHBondContact O-N 2.87Å; S115-Y133 PolarHBondContact OG-OH 3.28Å
116G90.8Very high90.4Very high34 Ų3450.2 Ų50.235%0.35126%0.258SS..Hα-helixtrans-67.5-36.5174.400000113.6I112 L113 L114I112-G116 PolarHBondContact O-N 2.76Å; L113-G116 PolarHBondContact O-N 3.47Å; L114-G116 VanDerWaalsContact C-N 3.29Å; L114-G116 PolarHBondContact O-N 3.15Å
117A89.2Confident90.3Very high0 Ų053.8 Ų53.80%028%0.282CS..Hα-helixtrans-71.7-41.2-179.700000113.4K36 M44 Y45 L113 L114K36-A117 WeakPolarHBondContact CB-O 3.46Å; K36-A117 PolarHBondContact N-O 2.96Å; M44-A117 HydrophobicContact CB-CB 4.39Å; Y45-A117 HydrophobicContact CD2-CB 4.14Å; L113-A117 WeakPolarHBondContact O-CB 3.45Å; L113-A117 PolarHBondContact O-N 3.14Å; L114-A117 PolarHBondContact O-N 3.12Å
118F87.7Confident90.2Very high18 Ų1857.2 Ų57.28%0.07930%0.295CS..Hα-helixtrans-89.6-25.5179.5-75.6-91.8000113.1N34 H35 Y45 L114 W122N34-F118 HydrophobicContact CB-CD1 4.28Å; N34-F118 HydrophobicContact CB-CE1 4.08Å; N34-F118 VanDerWaalsContact O-CD1 3.27Å; N34-F118 WeakPolarHBondContact O-CD1 3.37Å; H35-F118 HydrophobicContact CB-CD1 4.12Å; H35-F118 HydrophobicContact CB-CE1 3.87Å; H35-F118 HydrophobicContact CB-CE2 4.35Å; H35-F118 HydrophobicContact CB-CG 4.47Å; H35-F118 HydrophobicContact CB-CZ 3.99Å; Y45-F118 HydrophobicContact CD2-CE2 4.19Å; Y45-F118 AromaticContact CE2-CE2 3.93Å; Y45-F118 HydrophobicContact CE2-CE2 3.93Å; Y45-F118 HydrophobicContact CE2-CZ 4.03Å; L114-F118 HydrophobicContact CD1-CD2 3.78Å; L114-F118 HydrophobicContact CD1-CE2 3.47Å; L114-F118 VanDerWaalsContact CD1-CE2 3.47Å; L114-F118 HydrophobicContact CG-CD2 4.04Å; L114-F118 HydrophobicContact CG-CE2 4.18Å; L114-F118 WeakPolarHBondContact O-CD2 3.19Å; L114-F118 PolarHBondContact O-N 3.42Å; L114-F118 VanDerWaalsContact O-N 3.09Å; F118-W122 HydrophobicContact CB-CB 3.99Å; F118-W122 HydrophobicContact CB-CD2 3.53Å; F118-W122 HydrophobicContact CB-CE3 3.35Å; F118-W122 HydrophobicContact CB-CG 3.82Å; F118-W122 HydrophobicContact CB-CZ3 3.94Å; F118-W122 AromaticContact CD1-CD2 3.69Å; F118-W122 HydrophobicContact CD1-CD2 3.69Å; F118-W122 AromaticContact CD1-CE2 3.59Å; F118-W122 HydrophobicContact CD1-CE3 4.18Å; F118-W122 AromaticContact CD1-CG 3.95Å; F118-W122 HydrophobicContact CD1-CG 3.95Å; F118-W122 HydrophobicContact CD1-CH2 4.39Å; F118-W122 AromaticContact CD1-CZ2 3.98Å; F118-W122 HydrophobicContact CD1-CZ2 3.98Å; F118-W122 HydrophobicContact CD1-CZ3 4.49Å; F118-W122 AromaticContact CD1-NE1 3.8Å; F118-W122 HydrophobicContact CD2-CE3 4.31Å; F118-W122 HydrophobicContact CD2-CH2 4.14Å; F118-W122 HydrophobicContact CD2-CZ2 4.5Å; F118-W122 HydrophobicContact CD2-CZ3 4.06Å; F118-W122 HydrophobicContact CE1-CZ2 4.15Å; F118-W122 HydrophobicContact CE2-CH2 4.45Å; F118-W122 AromaticContact CG-CD2 3.7Å; F118-W122 HydrophobicContact CG-CD2 3.7Å; F118-W122 AromaticContact CG-CE2 3.95Å; F118-W122 AromaticContact CG-CE3 3.7Å; F118-W122 HydrophobicContact CG-CE3 3.7Å; F118-W122 HydrophobicContact CG-CG 4.21Å; F118-W122 HydrophobicContact CG-CH2 4.13Å; F118-W122 HydrophobicContact CG-CZ2 4.18Å; F118-W122 AromaticContact CG-CZ3 3.9Å; F118-W122 HydrophobicContact CG-CZ3 3.9Å; F118-W122 HydrophobicContact CZ-CZ2 4.48Å
119G87.5Confident90.2Very high5 Ų556.7 Ų56.75%0.05229%0.291CS..  trans84.4163.5-176.800000114.5S115 P121 W122 V123S115-G119 VanDerWaalsContact O-CA 3.31Å; S115-G119 WeakPolarHBondContact O-CA 3.21Å; S115-G119 PolarHBondContact O-N 2.87Å; G119-P121 VanDerWaalsContact C-CD 3.48Å; G119-W122 PolarHBondContact O-N 3Å; G119-V123 WeakPolarHBondContact O-CG2 3.32Å; G119-V123 PolarHBondContact O-N 3.42Å
120L87.2Confident90.1Very high129 Ų12956.2 Ų56.268%0.67529%0.288SS*.Hα-helixtrans-62.3-36.3-171.7-154.770.1000115.5W122 V123 R124L120-W122 PolarHBondContact O-N 3.11Å; L120-V123 PolarHBondContact O-N 3.24Å; L120-R124 PolarHBondContact O-N 2.84Å; L120-R124 VanDerWaalsContact O-N 3.1Å
121P86.9Confident90.2Very high91 Ų9155.2 Ų55.259%0.59129%0.286SS*.Hα-helixtrans-59.2-46.5176.6-24.834.9000112.3G119 V123 R124 E125G119-P121 VanDerWaalsContact C-CD 3.48Å; P121-V123 VanDerWaalsContact C-N 3.34Å; P121-V123 PolarHBondContact O-N 3.21Å; P121-R124 WeakPolarHBondContact O-CB 3.27Å; P121-R124 PolarHBondContact O-N 2.69Å; P121-E125 PolarHBondContact O-N 3.03Å
122W86Confident90.3Very high48 Ų4855.9 Ų55.918%0.18229%0.289CS..Hα-helixtrans-65.1-37.4177.9-179.790.5000112.4L114 F118 G119 L120 R124 E125 N126 L129L114-W122 HydrophobicContact CD2-CH2 4.38Å; F118-W122 HydrophobicContact CB-CB 3.99Å; F118-W122 HydrophobicContact CB-CD2 3.53Å; F118-W122 HydrophobicContact CB-CE3 3.35Å; F118-W122 HydrophobicContact CB-CG 3.82Å; F118-W122 HydrophobicContact CB-CZ3 3.94Å; F118-W122 AromaticContact CD1-CD2 3.69Å; F118-W122 HydrophobicContact CD1-CD2 3.69Å; F118-W122 AromaticContact CD1-CE2 3.59Å; F118-W122 HydrophobicContact CD1-CE3 4.18Å; F118-W122 AromaticContact CD1-CG 3.95Å; F118-W122 HydrophobicContact CD1-CG 3.95Å; F118-W122 HydrophobicContact CD1-CH2 4.39Å; F118-W122 AromaticContact CD1-CZ2 3.98Å; F118-W122 HydrophobicContact CD1-CZ2 3.98Å; F118-W122 HydrophobicContact CD1-CZ3 4.49Å; F118-W122 AromaticContact CD1-NE1 3.8Å; F118-W122 HydrophobicContact CD2-CE3 4.31Å; F118-W122 HydrophobicContact CD2-CH2 4.14Å; F118-W122 HydrophobicContact CD2-CZ2 4.5Å; F118-W122 HydrophobicContact CD2-CZ3 4.06Å; F118-W122 HydrophobicContact CE1-CZ2 4.15Å; F118-W122 HydrophobicContact CE2-CH2 4.45Å; F118-W122 AromaticContact CG-CD2 3.7Å; F118-W122 HydrophobicContact CG-CD2 3.7Å; F118-W122 AromaticContact CG-CE2 3.95Å; F118-W122 AromaticContact CG-CE3 3.7Å; F118-W122 HydrophobicContact CG-CE3 3.7Å; F118-W122 HydrophobicContact CG-CG 4.21Å; F118-W122 HydrophobicContact CG-CH2 4.13Å; F118-W122 HydrophobicContact CG-CZ2 4.18Å; F118-W122 AromaticContact CG-CZ3 3.9Å; F118-W122 HydrophobicContact CG-CZ3 3.9Å; F118-W122 HydrophobicContact CZ-CZ2 4.48Å; G119-W122 PolarHBondContact O-N 3Å; L120-W122 PolarHBondContact O-N 3.11Å; W122-R124 VanDerWaalsContact C-N 3.27Å; W122-R124 PolarHBondContact O-N 2.85Å; W122-E125 PolarHBondContact O-N 2.68Å; W122-N126 HydrophobicContact CE3-CB 4.45Å; W122-N126 HydrophobicContact CH2-CB 4.43Å; W122-N126 WeakPolarHBondContact CH2-ND2 3.43Å; W122-N126 HydrophobicContact CZ2-CB 4.44Å; W122-N126 WeakPolarHBondContact CZ2-ND2 3.37Å; W122-N126 HydrophobicContact CZ3-CB 4.42Å; W122-N126 WeakPolarHBondContact O-CB 3.12Å; W122-N126 PolarHBondContact O-N 2.96Å; W122-L129 HydrophobicContact CE3-CD2 4.3Å; W122-L129 HydrophobicContact CH2-CD2 4.46Å; W122-L129 HydrophobicContact CZ3-CD2 3.58Å
123V87.3Confident90.3Very high14 Ų1454.5 Ų54.59%0.08528%0.278CS..Hα-helixtrans-60.6-39.6175.8176.30000110.8G119 L120 P121 E125 N126 L129 I130 Y133G119-V123 WeakPolarHBondContact O-CG2 3.32Å; G119-V123 PolarHBondContact O-N 3.42Å; L120-V123 PolarHBondContact O-N 3.24Å; P121-V123 VanDerWaalsContact C-N 3.34Å; P121-V123 PolarHBondContact O-N 3.21Å; V123-E125 VanDerWaalsContact C-N 3.3Å; V123-E125 PolarHBondContact O-N 2.97Å; V123-N126 PolarHBondContact O-N 3.34Å; V123-L129 HydrophobicContact CB-CD2 4.36Å; V123-L129 HydrophobicContact CG1-CD2 4.05Å; V123-L129 HydrophobicContact CG1-CG 4.31Å; V123-L129 HydrophobicContact CG2-CD2 3.87Å; V123-I130 WeakPolarHBondContact O-CG1 3.34Å; V123-Y133 HydrophobicContact CG1-CE2 4.32Å
124R88.9Confident90.4Very high202 Ų20258.2 Ų58.276%0.76230%0.297SS*.Hα-helixtrans-68.1-29178.5-171.6179.3-71.6178.4-2.5112.8L120 P121 W122 I130L120-R124 PolarHBondContact O-N 2.84Å; L120-R124 VanDerWaalsContact O-N 3.1Å; P121-R124 WeakPolarHBondContact O-CB 3.27Å; P121-R124 PolarHBondContact O-N 2.69Å; W122-R124 VanDerWaalsContact C-N 3.27Å; W122-R124 PolarHBondContact O-N 2.85Å; R124-I130 VanDerWaalsContact O-CD1 3.29Å; R124-I130 WeakPolarHBondContact O-CD1 3.17Å
125E88.8Confident90.7Very high158 Ų15859.1 Ų59.174%0.73830%0.299SS*.Hα-helixtrans-84.9-20.7177.2-69.2179.7179.600113.2P121 W122 V123 P127P121-E125 PolarHBondContact O-N 3.03Å; W122-E125 PolarHBondContact O-N 2.68Å; V123-E125 VanDerWaalsContact C-N 3.3Å; V123-E125 PolarHBondContact O-N 2.97Å; E125-P127 WeakPolarHBondContact O-CD 3.49Å
126N88.6Confident90.8Very high32 Ų3259.2 Ų59.217%0.17130%0.298CS..  trans-91.299.9-176.1-169.2-17000112.6W122 V123 W128 L129 I130W122-N126 HydrophobicContact CE3-CB 4.45Å; W122-N126 HydrophobicContact CH2-CB 4.43Å; W122-N126 WeakPolarHBondContact CH2-ND2 3.43Å; W122-N126 HydrophobicContact CZ2-CB 4.44Å; W122-N126 WeakPolarHBondContact CZ2-ND2 3.37Å; W122-N126 HydrophobicContact CZ3-CB 4.42Å; W122-N126 WeakPolarHBondContact O-CB 3.12Å; W122-N126 PolarHBondContact O-N 2.96Å; V123-N126 PolarHBondContact O-N 3.34Å; N126-W128 PolarHBondContact O-N 2.83Å; N126-W128 VanDerWaalsContact O-N 3.15Å; N126-W128 PolarHBondContact OD1-N 3.49Å; N126-L129 HydrophobicContact CB-CB 4.31Å; N126-L129 PolarHBondContact O-N 3.25Å; N126-L129 VanDerWaalsContact O-N 3.16Å; N126-I130 PolarHBondContact O-N 2.95Å
127P92.4Very high91Very high90 Ų9061.5 Ų61.558%0.58431%0.305SS*.Hα-helixtrans-64.3-26.6-174.827.5-37.1000113.4E125 G131E125-P127 WeakPolarHBondContact O-CD 3.49Å; P127-G131 PolarHBondContact O-N 3.24Å
128W92.9Very high91.3Very high73 Ų7364.8 Ų64.828%0.27732%0.322SS..Hα-helixtrans-71.9-33.9179.7-70100.9000112.8N126 K132 Y164 I167 K174 L177N126-W128 PolarHBondContact O-N 2.83Å; N126-W128 VanDerWaalsContact O-N 3.15Å; N126-W128 PolarHBondContact OD1-N 3.49Å; W128-K132 WeakPolarHBondContact O-CB 3.31Å; W128-K132 PolarHBondContact O-N 2.71Å; W128-K132 VanDerWaalsContact O-N 3.08Å; W128-Y164 HydrophobicContact CE3-CE2 4.07Å; W128-Y164 AromaticContact CZ3-CE2 3.98Å; W128-Y164 HydrophobicContact CZ3-CE2 3.98Å; W128-Y164 PolarHBondContact O-OH 3.12Å; W128-I167 HydrophobicContact CH2-CG2 3.92Å; W128-I167 HydrophobicContact CZ3-CG2 3.88Å; W128-K174 HydrophobicContact CD2-CD 3.86Å; W128-K174 HydrophobicContact CD2-CG 4.05Å; W128-K174 HydrophobicContact CE3-CG 4.41Å; W128-K174 HydrophobicContact CG-CD 3.89Å; W128-K174 HydrophobicContact CH2-CG 4.23Å; W128-K174 HydrophobicContact CZ2-CB 4.16Å; W128-K174 HydrophobicContact CZ2-CD 4.44Å; W128-K174 HydrophobicContact CZ2-CG 3.87Å; W128-K174 HydrophobicContact CZ3-CG 4.49Å; W128-L177 HydrophobicContact CH2-CD2 3.9Å
129L91.9Very high91.7Very high9 Ų964 Ų645%0.04732%0.318CS..Hα-helixtrans-78.7-40.5179.5-174.355.2000110.5W122 V123 N126 K132 Y133W122-L129 HydrophobicContact CE3-CD2 4.3Å; W122-L129 HydrophobicContact CH2-CD2 4.46Å; W122-L129 HydrophobicContact CZ3-CD2 3.58Å; V123-L129 HydrophobicContact CB-CD2 4.36Å; V123-L129 HydrophobicContact CG1-CD2 4.05Å; V123-L129 HydrophobicContact CG1-CG 4.31Å; V123-L129 HydrophobicContact CG2-CD2 3.87Å; N126-L129 HydrophobicContact CB-CB 4.31Å; N126-L129 PolarHBondContact O-N 3.25Å; N126-L129 VanDerWaalsContact O-N 3.16Å; L129-K132 WeakPolarHBondContact O-CB 3.22Å; L129-K132 PolarHBondContact O-N 3.47Å; L129-Y133 HydrophobicContact CD1-CD2 4.36Å; L129-Y133 HydrophobicContact CD1-CE2 3.8Å; L129-Y133 HydrophobicContact CD2-CE2 4.45Å; L129-Y133 HydrophobicContact CG-CD2 4.22Å; L129-Y133 HydrophobicContact CG-CE2 3.74Å; L129-Y133 WeakPolarHBondContact O-CD2 3.3Å; L129-Y133 PolarHBondContact O-N 3.1Å
130I93.8Very high92Very high64 Ų6466.3 Ų66.333%0.32833%0.329SS..Hα-helixtrans-57.2-51.3171.3-64.8171000110.5V123 R124 N126 K132 Y133 I134V123-I130 WeakPolarHBondContact O-CG1 3.34Å; R124-I130 VanDerWaalsContact O-CD1 3.29Å; R124-I130 WeakPolarHBondContact O-CD1 3.17Å; N126-I130 PolarHBondContact O-N 2.95Å; I130-K132 VanDerWaalsContact C-N 3.25Å; I130-K132 PolarHBondContact O-N 3.27Å; I130-Y133 PolarHBondContact O-N 3.39Å; I130-Y133 VanDerWaalsContact O-N 3.09Å; I130-I134 HydrophobicContact CG2-CD1 3.78Å; I130-I134 HydrophobicContact CG2-CG1 4.39Å; I130-I134 WeakPolarHBondContact O-CG1 3.28Å; I130-I134 PolarHBondContact O-N 3.48Å
131G94.1Very high92.3Very high11 Ų1165.2 Ų65.211%0.11332%0.323CS..Hα-helixtrans-61-34.7177.700000112.5P127 Y133 I134 F135 Y164P127-G131 PolarHBondContact O-N 3.24Å; G131-Y133 VanDerWaalsContact C-N 3.35Å; G131-Y133 PolarHBondContact O-N 3.19Å; G131-I134 PolarHBondContact O-N 2.97Å; G131-F135 WeakPolarHBondContact O-CB 3.31Å; G131-F135 WeakPolarHBondContact O-CD2 3.42Å; G131-F135 PolarHBondContact O-N 3.4Å; G131-Y164 VanDerWaalsContact CA-OH 3.27Å; G131-Y164 WeakPolarHBondContact CA-OH 3.45Å
132K93.8Very high92.7Very high16 Ų1661.7 Ų61.77%0.0730%0.3CS..Hα-helixtrans-62.2-40.6174.1-170.3173.9172.9-161.10111.9I107 S111 W128 L129 I130 L136 Y164 F165I107-K132 PolarHBondContact O-NZ 3.3Å; S111-K132 WeakPolarHBondContact OG-CD 3.43Å; S111-K132 WeakPolarHBondContact OG-CE 3.34Å; S111-K132 PolarHBondContact OG-NZ 3.4Å; W128-K132 WeakPolarHBondContact O-CB 3.31Å; W128-K132 PolarHBondContact O-N 2.71Å; W128-K132 VanDerWaalsContact O-N 3.08Å; L129-K132 WeakPolarHBondContact O-CB 3.22Å; L129-K132 PolarHBondContact O-N 3.47Å; I130-K132 VanDerWaalsContact C-N 3.25Å; I130-K132 PolarHBondContact O-N 3.27Å; K132-L136 WeakPolarHBondContact O-CB 3.23Å; K132-L136 PolarHBondContact O-N 3.36Å; K132-Y164 HydrophobicContact CB-CE1 4.03Å; K132-Y164 PolarHBondContact N-OH 2.98Å; K132-F165 HydrophobicContact CG-CD1 4.02Å; K132-F165 HydrophobicContact CG-CE1 3.97Å
133Y94.4Very high93Very high68 Ų6859.7 Ų59.727%0.26729%0.292SS..Hα-helixtrans-68.4-45.4174.9-72.5-60.5000112.6S111 S115 V123 L129 I130 G131 F135 L136 V137S111-Y133 PolarHBondContact O-OH 3.48Å; S115-Y133 PolarHBondContact OG-OH 3.28Å; V123-Y133 HydrophobicContact CG1-CE2 4.32Å; L129-Y133 HydrophobicContact CD1-CD2 4.36Å; L129-Y133 HydrophobicContact CD1-CE2 3.8Å; L129-Y133 HydrophobicContact CD2-CE2 4.45Å; L129-Y133 HydrophobicContact CG-CD2 4.22Å; L129-Y133 HydrophobicContact CG-CE2 3.74Å; L129-Y133 WeakPolarHBondContact O-CD2 3.3Å; L129-Y133 PolarHBondContact O-N 3.1Å; I130-Y133 PolarHBondContact O-N 3.39Å; I130-Y133 VanDerWaalsContact O-N 3.09Å; G131-Y133 VanDerWaalsContact C-N 3.35Å; G131-Y133 PolarHBondContact O-N 3.19Å; Y133-F135 PolarHBondContact O-N 3.43Å; Y133-L136 PolarHBondContact O-N 3.26Å; Y133-V137 WeakPolarHBondContact O-CG2 3.4Å; Y133-V137 PolarHBondContact O-N 3.21Å
134I95.2Very high93.2Very high94 Ų9464 Ų6448%0.48231%0.314SS..Hα-helixtrans-57.9-50.1177.6-66.6169.6000110.3I130 G131 L136 V137 I138I130-I134 HydrophobicContact CG2-CD1 3.78Å; I130-I134 HydrophobicContact CG2-CG1 4.39Å; I130-I134 WeakPolarHBondContact O-CG1 3.28Å; I130-I134 PolarHBondContact O-N 3.48Å; G131-I134 PolarHBondContact O-N 2.97Å; I134-L136 VanDerWaalsContact C-N 3.33Å; I134-L136 PolarHBondContact O-N 3.41Å; I134-V137 PolarHBondContact O-N 3.25Å; I134-I138 HydrophobicContact CG2-CD1 3.98Å; I134-I138 WeakPolarHBondContact O-CG1 3.22Å; I134-I138 PolarHBondContact O-N 2.68Å
135F95.4Very high93.4Very high67 Ų6757.5 Ų57.529%0.29430%0.297SS..Hα-helixtrans-67.5-33.4179.9-77.8-46000113G131 Y133 V137 I138 Y139 I161 Y164 F165G131-F135 WeakPolarHBondContact O-CB 3.31Å; G131-F135 WeakPolarHBondContact O-CD2 3.42Å; G131-F135 PolarHBondContact O-N 3.4Å; Y133-F135 PolarHBondContact O-N 3.43Å; F135-V137 VanDerWaalsContact C-N 3.34Å; F135-I138 HydrophobicContact CD1-CD1 4.23Å; F135-I138 PolarHBondContact O-N 3.24Å; F135-Y139 VanDerWaalsContact O-CB 3.22Å; F135-Y139 WeakPolarHBondContact O-CB 3.43Å; F135-Y139 PolarHBondContact O-N 2.93Å; F135-I161 HydrophobicContact CB-CG2 3.59Å; F135-I161 HydrophobicContact CD1-CD1 4.09Å; F135-I161 HydrophobicContact CD1-CG1 4.22Å; F135-I161 HydrophobicContact CD1-CG2 3.88Å; F135-I161 HydrophobicContact CG-CG2 3.78Å; F135-Y164 AromaticContact CD2-CD1 3.49Å; F135-Y164 HydrophobicContact CD2-CD1 3.49Å; F135-Y164 VanDerWaalsContact CD2-CD1 3.49Å; F135-Y164 AromaticContact CD2-CD2 3.66Å; F135-Y164 HydrophobicContact CD2-CD2 3.66Å; F135-Y164 AromaticContact CD2-CE1 3.71Å; F135-Y164 HydrophobicContact CD2-CE1 3.71Å; F135-Y164 AromaticContact CD2-CE2 3.83Å; F135-Y164 HydrophobicContact CD2-CE2 3.83Å; F135-Y164 AromaticContact CD2-CG 3.47Å; F135-Y164 HydrophobicContact CD2-CG 3.47Å; F135-Y164 VanDerWaalsContact CD2-CG 3.47Å; F135-Y164 AromaticContact CD2-CZ 3.84Å; F135-Y164 HydrophobicContact CE2-CD1 4.16Å; F135-Y164 AromaticContact CE2-CD2 3.41Å; F135-Y164 HydrophobicContact CE2-CD2 3.41Å; F135-Y164 VanDerWaalsContact CE2-CD2 3.41Å; F135-Y164 HydrophobicContact CE2-CE1 4.31Å; F135-Y164 AromaticContact CE2-CE2 3.55Å; F135-Y164 HydrophobicContact CE2-CE2 3.55Å; F135-Y164 AromaticContact CE2-CG 3.71Å; F135-Y164 HydrophobicContact CE2-CG 3.71Å; F135-Y164 HydrophobicContact CG-CD1 4.4Å; F135-Y164 HydrophobicContact CG-CG 4.48Å; F135-F165 HydrophobicContact CB-CZ 4.49Å
136L94.9Very high93.5Very high21 Ų2150 Ų5011%0.1126%0.261CS..Hα-helixtrans-62.6-42.2173-173.1157000111.2K132 Y133 I134 Y139 L140K132-L136 WeakPolarHBondContact O-CB 3.23Å; K132-L136 PolarHBondContact O-N 3.36Å; Y133-L136 PolarHBondContact O-N 3.26Å; I134-L136 VanDerWaalsContact C-N 3.33Å; I134-L136 PolarHBondContact O-N 3.41Å; L136-Y139 WeakPolarHBondContact O-CB 3.3Å; L136-Y139 PolarHBondContact O-N 3.32Å; L136-L140 HydrophobicContact CD2-CD1 3.49Å; L136-L140 VanDerWaalsContact CD2-CD1 3.49Å; L136-L140 HydrophobicContact CD2-CG 4.04Å; L136-L140 WeakPolarHBondContact O-CG 3.45Å; L136-L140 PolarHBondContact O-N 3.13Å
137V95.1Very high93.6Very high82 Ų8252.6 Ų52.650%0.49728%0.275SS..Hα-helixtrans-62.6-49.4175.81730000111Y133 I134 F135 Y139 L140 L141Y133-V137 WeakPolarHBondContact O-CG2 3.4Å; Y133-V137 PolarHBondContact O-N 3.21Å; I134-V137 PolarHBondContact O-N 3.25Å; F135-V137 VanDerWaalsContact C-N 3.34Å; V137-Y139 VanDerWaalsContact C-N 3.26Å; V137-Y139 PolarHBondContact O-N 3.11Å; V137-L140 PolarHBondContact O-N 3.24Å; V137-L141 HydrophobicContact CG1-CD1 4.06Å; V137-L141 HydrophobicContact CG1-CG 4.46Å; V137-L141 WeakPolarHBondContact O-CG 3.37Å; V137-L141 PolarHBondContact O-N 2.81Å
138I95.6Very high93.5Very high69 Ų6952.4 Ų52.435%0.35428%0.276SS..Hα-helixtrans-58.2-42.1177.1-64.3168.3000110.6I134 F135 L141 D142 I161I134-I138 HydrophobicContact CG2-CD1 3.98Å; I134-I138 WeakPolarHBondContact O-CG1 3.22Å; I134-I138 PolarHBondContact O-N 2.68Å; F135-I138 HydrophobicContact CD1-CD1 4.23Å; F135-I138 PolarHBondContact O-N 3.24Å; I138-L141 PolarHBondContact O-N 3Å; I138-D142 WeakPolarHBondContact O-CB 3.28Å; I138-D142 PolarHBondContact O-N 3.3Å; I138-I161 HydrophobicContact CB-CD1 4.2Å; I138-I161 HydrophobicContact CG2-CD1 3.65Å
139Y94.9Very high93.4Very high0 Ų052.9 Ų52.90%028%0.283CS..Hα-helixtrans-62-47.1178.5-157-63.4000111.8E100 L104 F135 L136 V137 L141 D142 L143 R158 I161 R162 F165E100-Y139 WeakPolarHBondContact OE2-CE1 3.42Å; E100-Y139 PolarHBondContact OE2-OH 2.85Å; L104-Y139 HydrophobicContact CD1-CD1 3.28Å; L104-Y139 HydrophobicContact CD1-CE1 3.45Å; L104-Y139 VanDerWaalsContact CD1-CE1 3.45Å; L104-Y139 HydrophobicContact CD1-CG 4.07Å; L104-Y139 HydrophobicContact CD2-CD1 4.13Å; L104-Y139 HydrophobicContact CD2-CD2 4.34Å; L104-Y139 HydrophobicContact CD2-CE1 4.21Å; L104-Y139 HydrophobicContact CD2-CE2 4.38Å; L104-Y139 HydrophobicContact CD2-CG 4.19Å; L104-Y139 HydrophobicContact CG-CD1 4.26Å; L104-Y139 HydrophobicContact CG-CE1 4.2Å; F135-Y139 VanDerWaalsContact O-CB 3.22Å; F135-Y139 WeakPolarHBondContact O-CB 3.43Å; F135-Y139 PolarHBondContact O-N 2.93Å; L136-Y139 WeakPolarHBondContact O-CB 3.3Å; L136-Y139 PolarHBondContact O-N 3.32Å; V137-Y139 VanDerWaalsContact C-N 3.26Å; V137-Y139 PolarHBondContact O-N 3.11Å; Y139-L141 VanDerWaalsContact C-N 3.35Å; Y139-L141 PolarHBondContact O-N 2.88Å; Y139-D142 PolarHBondContact O-N 3.46Å; Y139-L143 WeakPolarHBondContact O-CB 3.47Å; Y139-L143 PolarHBondContact O-N 3.18Å; Y139-R158 HydrophobicContact CD1-CB 3.75Å; Y139-R158 HydrophobicContact CD1-CG 4.32Å; Y139-R158 HydrophobicContact CD2-CB 3.76Å; Y139-R158 HydrophobicContact CE1-CB 3.79Å; Y139-R158 HydrophobicContact CE1-CG 3.92Å; Y139-R158 HydrophobicContact CE2-CB 3.84Å; Y139-R158 HydrophobicContact CE2-CG 4.44Å; Y139-R158 WeakPolarHBondContact CE2-O 3.49Å; Y139-R158 HydrophobicContact CG-CB 3.76Å; Y139-I161 HydrophobicContact CD2-CB 4.29Å; Y139-I161 HydrophobicContact CD2-CG2 4.27Å; Y139-R162 HydrophobicContact CE2-CG 3.84Å; Y139-R162 PolarHBondContact OH-NE 3.2Å; Y139-F165 AromaticContact CD2-CE2 3.72Å; Y139-F165 HydrophobicContact CD2-CE2 3.72Å; Y139-F165 HydrophobicContact CD2-CZ 4.37Å; Y139-F165 HydrophobicContact CE2-CE2 4.04Å
140L93.9Very high93.3Very high55 Ų5562.6 Ų62.629%0.28832%0.319SS..Hα-helixtrans-64.7-38.8178.9-71.9178.5000111.9F101 L104 L136 V137 L143 I144F101-L140 HydrophobicContact CD2-CD2 4.35Å; F101-L140 HydrophobicContact CE2-CD2 4.38Å; L104-L140 HydrophobicContact CD1-CD2 4.14Å; L136-L140 HydrophobicContact CD2-CD1 3.49Å; L136-L140 VanDerWaalsContact CD2-CD1 3.49Å; L136-L140 HydrophobicContact CD2-CG 4.04Å; L136-L140 WeakPolarHBondContact O-CG 3.45Å; L136-L140 PolarHBondContact O-N 3.13Å; V137-L140 PolarHBondContact O-N 3.24Å; L140-L143 HydrophobicContact CD2-CD2 4.43Å; L140-L143 PolarHBondContact O-N 2.76Å; L140-I144 WeakPolarHBondContact O-CD1 3.47Å; L140-I144 WeakPolarHBondContact O-CG1 3.48Å; L140-I144 PolarHBondContact O-N 3.31Å
141L94.4Very high92.9Very high105 Ų10560.5 Ų60.555%0.5531%0.31SS..Hα-helixtrans-62.7-47.9176.3-70.1173.2000111.6V137 I138 Y139 L143 I144 V145V137-L141 HydrophobicContact CG1-CD1 4.06Å; V137-L141 HydrophobicContact CG1-CG 4.46Å; V137-L141 WeakPolarHBondContact O-CG 3.37Å; V137-L141 PolarHBondContact O-N 2.81Å; I138-L141 PolarHBondContact O-N 3Å; Y139-L141 VanDerWaalsContact C-N 3.35Å; Y139-L141 PolarHBondContact O-N 2.88Å; L141-L143 VanDerWaalsContact C-N 3.32Å; L141-L143 PolarHBondContact O-N 2.81Å; L141-I144 PolarHBondContact O-N 3.34Å; L141-V145 WeakPolarHBondContact O-CG2 3.49Å; L141-V145 PolarHBondContact O-N 3.44Å
142D94Very high92.5Very high17 Ų1764.5 Ų64.59%0.09134%0.336CS..Hα-helixtrans-63.5-37.1177.4-171.579.4000111.9I138 Y139 V145 S146 I157 R158I138-D142 WeakPolarHBondContact O-CB 3.28Å; I138-D142 PolarHBondContact O-N 3.3Å; Y139-D142 PolarHBondContact O-N 3.46Å; D142-V145 PolarHBondContact O-N 3.39Å; D142-S146 WeakPolarHBondContact O-CB 3.23Å; D142-S146 PolarHBondContact O-N 3.13Å; D142-I157 PolarHBondContact OD1-N 2.83Å; D142-I157 PolarHBondContact OD2-N 2.88Å; D142-R158 HydrophobicContact CB-CB 4.09Å; D142-R158 PolarHBondContact O-NH1 2.84Å; D142-R158 WeakPolarHBondContact OD2-CB 3.29Å; D142-R158 WeakPolarHBondContact OD2-CD 3.13Å; D142-R158 WeakPolarHBondContact OD2-CG 3.25Å; D142-R158 IonicContact OD2-CZ 3.46Å; D142-R158 PolarHBondContact OD2-N 3.29Å; D142-R158 IonicContact OD2-NE 3.49Å; D142-R158 IonicContact OD2-NH1 3.63Å; D142-R158 PolarHBondContact OD2-NH1 2.04Å
143L92.3Very high92.1Very high6 Ų665.9 Ų65.93%0.03134%0.343CS..Hα-helixtrans-62.4-45173.6-177.466.8000111.9E97 F101 Y139 L140 L141 S146 L147E97-L143 HydrophobicContact CB-CD1 3.91Å; E97-L143 HydrophobicContact CG-CD1 4.41Å; E97-L143 WeakPolarHBondContact OE2-CD1 3.35Å; F101-L143 HydrophobicContact CB-CD2 4.17Å; F101-L143 HydrophobicContact CD2-CD2 4.06Å; Y139-L143 WeakPolarHBondContact O-CB 3.47Å; Y139-L143 PolarHBondContact O-N 3.18Å; L140-L143 HydrophobicContact CD2-CD2 4.43Å; L140-L143 PolarHBondContact O-N 2.76Å; L141-L143 VanDerWaalsContact C-N 3.32Å; L141-L143 PolarHBondContact O-N 2.81Å; L143-S146 PolarHBondContact O-N 3.19Å; L143-L147 HydrophobicContact CG-CD1 4.31Å; L143-L147 WeakPolarHBondContact O-CG 3.42Å; L143-L147 PolarHBondContact O-N 3.4Å
144I92.5Very high91.6Very high106 Ų10664 Ų6454%0.54434%0.335SS..Hα-helixtrans-64-41.5177.1-68.4164.5000110.7L140 L141 L147 S148L140-I144 WeakPolarHBondContact O-CD1 3.47Å; L140-I144 WeakPolarHBondContact O-CG1 3.48Å; L140-I144 PolarHBondContact O-N 3.31Å; L141-I144 PolarHBondContact O-N 3.34Å; I144-L147 PolarHBondContact O-N 3.02Å; I144-S148 WeakPolarHBondContact O-CB 3.46Å; I144-S148 PolarHBondContact O-N 2.88Å; I144-S148 PolarHBondContact O-OG 3Å
145V92.8Very high91.2Very high65 Ų6566.4 Ų66.439%0.39434%0.339SS..Hα-helixtrans-63-45.7175.8171.60000111.2L141 D142 L147 S148 L149L141-V145 WeakPolarHBondContact O-CG2 3.49Å; L141-V145 PolarHBondContact O-N 3.44Å; D142-V145 PolarHBondContact O-N 3.39Å; V145-L147 VanDerWaalsContact C-N 3.33Å; V145-L147 PolarHBondContact O-N 3.36Å; V145-S148 PolarHBondContact O-N 3.47Å; V145-S148 PolarHBondContact O-OG 3.29Å; V145-L149 HydrophobicContact CG1-CD1 3.93Å; V145-L149 WeakPolarHBondContact O-CG 3.36Å; V145-L149 PolarHBondContact O-N 2.85Å
146S91.1Very high90.9Very high0 Ų063.5 Ų63.50%033%0.327CS..Hα-helixtrans-63.9-36.9176.8-84.10000113.2D142 L143 L149 R150 C151 E153 R158D142-S146 WeakPolarHBondContact O-CB 3.23Å; D142-S146 PolarHBondContact O-N 3.13Å; L143-S146 PolarHBondContact O-N 3.19Å; S146-L149 PolarHBondContact O-N 2.97Å; S146-R150 PolarHBondContact O-N 3.02Å; S146-C151 PolarHBondContact O-N 3.15Å; S146-E153 PolarHBondContact OG-OE2 3.42Å; S146-R158 VanDerWaalsContact CB-NH2 3.26Å; S146-R158 PolarHBondContact OG-NH1 3.49Å; S146-R158 PolarHBondContact OG-NH2 3.37Å; S146-R158 VanDerWaalsContact OG-NH2 3.11Å
147L90.2Very high90.7Very high86 Ų8667.5 Ų67.545%0.4535%0.347SS..Hα-helixtrans-67.4-39.9174.9-75.2168.4000111.7E97 L143 I144 V145 L149 R150E97-L147 HydrophobicContact CB-CD2 4.05Å; E97-L147 HydrophobicContact CG-CD2 4.24Å; L143-L147 HydrophobicContact CG-CD1 4.31Å; L143-L147 WeakPolarHBondContact O-CG 3.42Å; L143-L147 PolarHBondContact O-N 3.4Å; I144-L147 PolarHBondContact O-N 3.02Å; V145-L147 VanDerWaalsContact C-N 3.33Å; V145-L147 PolarHBondContact O-N 3.36Å; L147-L149 VanDerWaalsContact C-N 3.31Å; L147-L149 PolarHBondContact O-N 3.29Å; L147-R150 PolarHBondContact O-N 3.16Å; L147-R150 VanDerWaalsContact O-N 3.14Å
148S91.2Very high90.6Very high87 Ų8763.6 Ų63.661%0.60832%0.323SS*.Hα-helixtrans-67.2-33.3177.673.10000112.3I144 V145 R150I144-S148 WeakPolarHBondContact O-CB 3.46Å; I144-S148 PolarHBondContact O-N 2.88Å; I144-S148 PolarHBondContact O-OG 3Å; V145-S148 PolarHBondContact O-N 3.47Å; V145-S148 PolarHBondContact O-OG 3.29Å; S148-R150 PolarHBondContact O-N 3.24Å
149L90.7Very high90.5Very high82 Ų8260.7 Ų60.743%0.42931%0.308SS..THydrogen-bonded Turntrans-82.112.6173.2-63.9174.4000113.9V145 S146 L147 C151 S152 E153V145-L149 HydrophobicContact CG1-CD1 3.93Å; V145-L149 WeakPolarHBondContact O-CG 3.36Å; V145-L149 PolarHBondContact O-N 2.85Å; S146-L149 PolarHBondContact O-N 2.97Å; L147-L149 VanDerWaalsContact C-N 3.31Å; L147-L149 PolarHBondContact O-N 3.29Å; L149-C151 PolarHBondContact O-N 3.09Å; L149-C151 VanDerWaalsContact O-N 3.16Å; L149-S152 PolarHBondContact O-N 3.35Å; L149-S152 VanDerWaalsContact O-N 3.12Å; L149-S152 PolarHBondContact O-OG 3.49Å; L149-E153 HydrophobicContact CD1-CB 4.31Å
150R88.8Confident90.5Very high214 Ų21462.6 Ų62.681%0.80832%0.318SS*.THydrogen-bonded Turntrans51.938.3179.9-58.7-178.1178.1179.9-0.4113.5C93 S146 L147 S148 S152C93-R150 PolarHBondContact SG-O 2.91Å; S146-R150 PolarHBondContact O-N 3.02Å; L147-R150 PolarHBondContact O-N 3.16Å; L147-R150 VanDerWaalsContact O-N 3.14Å; S148-R150 PolarHBondContact O-N 3.24Å; R150-S152 PolarHBondContact O-N 3.29Å; R150-S152 VanDerWaalsContact O-N 3.16Å
151C86.1Confident90.5Very high20 Ų2060.7 Ų60.714%0.13531%0.308CS..THydrogen-bonded Turntrans58.319.6-179.2-46.20000115.5C93 S146 L149 E153 R156C93-C151 VanDerWaalsContact CA-SG 3.58Å; C93-C151 HydrophobicContact CB-CB 3.7Å; C93-C151 WeakPolarHBondContact CB-SG 3.44Å; C93-C151 WeakPolarHBondContact SG-CB 3.23Å; C93-C151 CovalentContact SG-SG 2.04Å; C93-C151 PolarHBondContact SG-SG 2.83Å; S146-C151 PolarHBondContact O-N 3.15Å; L149-C151 PolarHBondContact O-N 3.09Å; L149-C151 VanDerWaalsContact O-N 3.16Å; C151-E153 PolarHBondContact O-N 3.03Å; C151-R156 PolarHBondContact O-NH2 3.45Å
152S84.5Confident90.5Very high94 Ų9455.7 Ų55.766%0.65728%0.282SS*.  trans-79.2-7.1178.870.10000113.8L149 R150L149-S152 PolarHBondContact O-N 3.35Å; L149-S152 VanDerWaalsContact O-N 3.12Å; L149-S152 PolarHBondContact O-OG 3.49Å; R150-S152 PolarHBondContact O-N 3.29Å; R150-S152 VanDerWaalsContact O-N 3.16Å
153E86.6Confident90.5Very high45 Ų4555.3 Ų55.321%0.2128%0.28CS..  trans-74.8124.4-179.1-178.6179.4-145.200111.6S146 L149 C151 Y155 R156S146-E153 PolarHBondContact OG-OE2 3.42Å; L149-E153 HydrophobicContact CD1-CB 4.31Å; C151-E153 PolarHBondContact O-N 3.03Å; E153-Y155 WeakPolarHBondContact CG-O 3.42Å; E153-R156 HydrophobicContact CG-CG 4.47Å; E153-R156 PolarHBondContact O-NE 3.42Å
154Y83.3Confident90.7Very high28 Ų2857.1 Ų57.111%0.1129%0.287CS..SBendtrans-75.5-48.6172.2-174.5-89.8000111.5W72 R156 M565 H569W72-Y154 HydrophobicContact CE3-CD2 4.08Å; W72-Y154 AromaticContact CH2-CD2 3.49Å; W72-Y154 HydrophobicContact CH2-CD2 3.49Å; W72-Y154 VanDerWaalsContact CH2-CD2 3.49Å; W72-Y154 HydrophobicContact CH2-CE2 4.31Å; W72-Y154 HydrophobicContact CH2-CG 4.4Å; W72-Y154 HydrophobicContact CZ2-CD2 4.42Å; W72-Y154 AromaticContact CZ3-CD2 3.29Å; W72-Y154 HydrophobicContact CZ3-CD2 3.29Å; W72-Y154 HydrophobicContact CZ3-CE2 4.22Å; W72-Y154 AromaticContact CZ3-CG 3.99Å; W72-Y154 HydrophobicContact CZ3-CG 3.99Å; Y154-R156 PolarHBondContact O-N 3.07Å; Y154-M565 PolarHBondContact OH-O 3.43Å; Y154-H569 HydrophobicContact CE1-CB 4.21Å; Y154-H569 HydrophobicContact CE2-CB 4.48Å; Y154-H569 AromaticContact CE2-CD2 3.55Å; Y154-H569 AromaticContact CE2-CE1 3.75Å; Y154-H569 AromaticContact CE2-CG 3.75Å; Y154-H569 AromaticContact CE2-ND1 3.87Å; Y154-H569 AromaticContact CE2-NE2 3.54Å; Y154-H569 AromaticContact CZ-CD2 3.72Å; Y154-H569 AromaticContact CZ-CG 3.46Å; Y154-H569 VanDerWaalsContact CZ-CG 3.46Å; Y154-H569 AromaticContact CZ-ND1 3.69Å; Y154-H569 VanDerWaalsContact OH-CB 3.26Å; Y154-H569 WeakPolarHBondContact OH-CB 3.47Å; Y154-H569 PolarHBondContact OH-ND1 2.99Å
155Y87Confident90.8Very high145 Ų14552 Ų5257%0.56926%0.261SS*.  trans-83.2105.2-175.3-61.2-73.7000111.5E153 N566E153-Y155 WeakPolarHBondContact CG-O 3.42Å; Y155-N566 HydrophobicContact CD1-CB 4.17Å; Y155-N566 HydrophobicContact CE1-CB 4.23Å; Y155-N566 WeakPolarHBondContact CE1-O 3.47Å
156R89.7Confident90.8Very high6 Ų650.9 Ų50.92%0.02325%0.252CS..  trans-117.3105.3-178.7-56.4-177.8-163.1179.4-1.4110.6E97 C151 E153 Y154 R158 R159E97-R156 IonicContact OE1-CZ 2.9Å; E97-R156 IonicContact OE1-NH1 2.74Å; E97-R156 PolarHBondContact OE1-NH1 3.23Å; C151-R156 PolarHBondContact O-NH2 3.45Å; E153-R156 HydrophobicContact CG-CG 4.47Å; E153-R156 PolarHBondContact O-NE 3.42Å; Y154-R156 PolarHBondContact O-N 3.07Å; R156-R158 VanDerWaalsContact C-N 3.27Å; R156-R158 PolarHBondContact O-N 2.98Å; R156-R159 HydrophobicContact CB-CG 3.98Å; R156-R159 VanDerWaalsContact CZ-NH2 3.35Å; R156-R159 VanDerWaalsContact NH1-NH2 3.18Å; R156-R159 PolarHBondContact O-N 3.09Å
157I90.4Very high91Very high105 Ų10552 Ų5254%0.53826%0.258SS..Hα-helixtrans-66.8-32.9-173-61.6174.9000110.6D142 R159 L160D142-I157 PolarHBondContact OD1-N 2.83Å; D142-I157 PolarHBondContact OD2-N 2.88Å; I157-R159 PolarHBondContact O-N 3.19Å; I157-R159 VanDerWaalsContact O-N 3.08Å; I157-L160 PolarHBondContact O-N 2.89Å; I157-L160 VanDerWaalsContact O-N 3.08Å
158R93.2Very high91.1Very high0 Ų048.4 Ų48.40%024%0.24CC..Hα-helixtrans-56.6-29-18070.5-172.1172.2-87.310.5114.1E97 E100 Y139 D142 S146 R156 L160 I161E97-R158 IonicContact OE1-NH2 3.83Å; E97-R158 PolarHBondContact OE1-NH2 2.92Å; E97-R158 IonicContact OE2-CZ 3.72Å; E97-R158 IonicContact OE2-NE 2.79Å; E97-R158 PolarHBondContact OE2-NE 3.01Å; E97-R158 IonicContact OE2-NH2 2.78Å; E97-R158 PolarHBondContact OE2-NH2 3.43Å; E100-R158 WeakPolarHBondContact OE2-CD 3.04Å; E100-R158 IonicContact OE2-NE 3.14Å; E100-R158 PolarHBondContact OE2-NE 3.24Å; Y139-R158 HydrophobicContact CD1-CB 3.75Å; Y139-R158 HydrophobicContact CD1-CG 4.32Å; Y139-R158 HydrophobicContact CD2-CB 3.76Å; Y139-R158 HydrophobicContact CE1-CB 3.79Å; Y139-R158 HydrophobicContact CE1-CG 3.92Å; Y139-R158 HydrophobicContact CE2-CB 3.84Å; Y139-R158 HydrophobicContact CE2-CG 4.44Å; Y139-R158 WeakPolarHBondContact CE2-O 3.49Å; Y139-R158 HydrophobicContact CG-CB 3.76Å; D142-R158 HydrophobicContact CB-CB 4.09Å; D142-R158 PolarHBondContact O-NH1 2.84Å; D142-R158 WeakPolarHBondContact OD2-CB 3.29Å; D142-R158 WeakPolarHBondContact OD2-CD 3.13Å; D142-R158 WeakPolarHBondContact OD2-CG 3.25Å; D142-R158 IonicContact OD2-CZ 3.46Å; D142-R158 PolarHBondContact OD2-N 3.29Å; D142-R158 IonicContact OD2-NE 3.49Å; D142-R158 IonicContact OD2-NH1 3.63Å; D142-R158 PolarHBondContact OD2-NH1 2.04Å; S146-R158 VanDerWaalsContact CB-NH2 3.26Å; S146-R158 PolarHBondContact OG-NH1 3.49Å; S146-R158 PolarHBondContact OG-NH2 3.37Å; S146-R158 VanDerWaalsContact OG-NH2 3.11Å; R156-R158 VanDerWaalsContact C-N 3.27Å; R156-R158 PolarHBondContact O-N 2.98Å; R158-L160 VanDerWaalsContact C-N 3.34Å; R158-L160 PolarHBondContact O-N 3.42Å; R158-I161 WeakPolarHBondContact O-CB 3.16Å; R158-I161 PolarHBondContact O-N 2.87Å
159R93.5Very high91Very high9 Ų946.5 Ų46.53%0.03423%0.227CC..Hα-helixtrans-60.6-44.7178.6-61.3176.8169.4168.7-7.2110.8E71 W72 R156 I157 I161 R162 Y558 L562E71-R159 IonicContact OE2-CZ 2.71Å; E71-R159 VanDerWaalsContact OE2-CZ 3.22Å; E71-R159 IonicContact OE2-NE 3.2Å; E71-R159 PolarHBondContact OE2-NE 3.5Å; E71-R159 IonicContact OE2-NH2 3.75Å; E71-R159 PolarHBondContact OE2-NH2 2.93Å; W72-R159 PolarHBondContact O-NH1 3.38Å; W72-R159 PolarHBondContact O-NH2 3.3Å; R156-R159 HydrophobicContact CB-CG 3.98Å; R156-R159 VanDerWaalsContact CZ-NH2 3.35Å; R156-R159 VanDerWaalsContact NH1-NH2 3.18Å; R156-R159 PolarHBondContact O-N 3.09Å; I157-R159 PolarHBondContact O-N 3.19Å; I157-R159 VanDerWaalsContact O-N 3.08Å; R159-I161 PolarHBondContact O-N 2.89Å; R159-R162 WeakPolarHBondContact O-CG 3.31Å; R159-R162 PolarHBondContact O-N 3.3Å; R159-Y558 VanDerWaalsContact O-CE1 3.32Å; R159-Y558 WeakPolarHBondContact O-CE1 3.41Å; R159-L562 HydrophobicContact CB-CD1 3.59Å; R159-L562 HydrophobicContact CB-CD2 4.37Å
160L93.7Very high90.9Very high40 Ų4044.2 Ų44.221%0.20922%0.218CC..Hα-helixtrans-65.5-19.5-178.6-64.1174.2000113.3I157 R158 P163 F559 L562I157-L160 PolarHBondContact O-N 2.89Å; I157-L160 VanDerWaalsContact O-N 3.08Å; R158-L160 VanDerWaalsContact C-N 3.34Å; R158-L160 PolarHBondContact O-N 3.42Å; L160-P163 WeakPolarHBondContact O-CD 3.35Å; L160-F559 HydrophobicContact CB-CD2 4.46Å; L160-F559 HydrophobicContact CB-CE2 4.35Å; L160-F559 HydrophobicContact CD2-CD2 4.14Å; L160-F559 HydrophobicContact CD2-CE2 4.24Å; L160-L562 HydrophobicContact CD2-CB 3.56Å; L160-L562 HydrophobicContact CD2-CD1 4.22Å
161I94.4Very high90.6Very high14 Ų1438.9 Ų38.97%0.07220%0.202CC..Hα-helixtrans-83-23.7-178.1-62174.7000111.8F135 I138 Y139 R158 R159 P163 Y164 F165F135-I161 HydrophobicContact CB-CG2 3.59Å; F135-I161 HydrophobicContact CD1-CD1 4.09Å; F135-I161 HydrophobicContact CD1-CG1 4.22Å; F135-I161 HydrophobicContact CD1-CG2 3.88Å; F135-I161 HydrophobicContact CG-CG2 3.78Å; I138-I161 HydrophobicContact CB-CD1 4.2Å; I138-I161 HydrophobicContact CG2-CD1 3.65Å; Y139-I161 HydrophobicContact CD2-CB 4.29Å; Y139-I161 HydrophobicContact CD2-CG2 4.27Å; R158-I161 WeakPolarHBondContact O-CB 3.16Å; R158-I161 PolarHBondContact O-N 2.87Å; R159-I161 PolarHBondContact O-N 2.89Å; I161-P163 VanDerWaalsContact C-CD 3.44Å; I161-P163 VanDerWaalsContact C-N 3.34Å; I161-P163 VanDerWaalsContact O-N 3.17Å; I161-Y164 WeakPolarHBondContact O-CB 3.44Å; I161-Y164 PolarHBondContact O-N 2.91Å; I161-F165 HydrophobicContact CG2-CE2 4.05Å; I161-F165 HydrophobicContact CG2-CZ 4.36Å
162R94.7Very high90.4Very high0 Ų041 Ų410%021%0.212CC..Hα-helixtrans-52.1-40.3-174.9-61.3-168.1-157152.21.6114.7L64 P68 E71 E100 Y139 R159 Y164 F165 Y558L64-R162 WeakPolarHBondContact O-CD 3.49Å; L64-R162 PolarHBondContact O-NH1 3.37Å; P68-R162 VanDerWaalsContact CD-NH1 3.34Å; E71-R162 VanDerWaalsContact CD-NH2 3.29Å; E71-R162 IonicContact OE1-CZ 3.41Å; E71-R162 IonicContact OE1-NH1 3.97Å; E71-R162 PolarHBondContact OE1-NH1 2.93Å; E71-R162 IonicContact OE1-NH2 3.01Å; E71-R162 PolarHBondContact OE1-NH2 3.17Å; E71-R162 IonicContact OE2-NH2 3.16Å; E71-R162 PolarHBondContact OE2-NH2 2.97Å; E100-R162 IonicContact OE1-CZ 2.95Å; E100-R162 IonicContact OE1-NH2 3.94Å; E100-R162 PolarHBondContact OE1-NH2 3.16Å; Y139-R162 HydrophobicContact CE2-CG 3.84Å; Y139-R162 PolarHBondContact OH-NE 3.2Å; R159-R162 WeakPolarHBondContact O-CG 3.31Å; R159-R162 PolarHBondContact O-N 3.3Å; R162-Y164 PolarHBondContact O-N 2.8Å; R162-Y164 VanDerWaalsContact O-N 3.14Å; R162-F165 PolarHBondContact O-N 3.01Å; R162-Y558 HydrophobicContact CB-CE1 4.07Å; R162-Y558 VanDerWaalsContact CD-OH 3.28Å; R162-Y558 WeakPolarHBondContact CD-OH 3.3Å; R162-Y558 PolarHBondContact NH1-OH 3.31Å; R162-Y558 VanDerWaalsContact NH1-OH 3.11Å
163P94.7Very high90.6Very high10 Ų1037 Ų377%0.06518%0.183CC..Hα-helixtrans-54.3-31.7174.5-29.438.1000115F65 L160 I161 F165 L166 I167 Y558F65-P163 HydrophobicContact CZ-CB 4.45Å; L160-P163 WeakPolarHBondContact O-CD 3.35Å; I161-P163 VanDerWaalsContact C-CD 3.44Å; I161-P163 VanDerWaalsContact C-N 3.34Å; I161-P163 VanDerWaalsContact O-N 3.17Å; P163-F165 VanDerWaalsContact C-N 3.34Å; P163-F165 PolarHBondContact O-N 3.16Å; P163-L166 PolarHBondContact O-N 2.9Å; P163-I167 WeakPolarHBondContact O-CG1 3.46Å; P163-I167 PolarHBondContact O-N 3.34Å; P163-Y558 HydrophobicContact CG-CD1 3.39Å; P163-Y558 HydrophobicContact CG-CE1 4.03Å; P163-Y558 HydrophobicContact CG-CG 4.12Å
164Y95Very high90.7Very high43 Ų4336.9 Ų36.917%0.16918%0.182CC..Hα-helixtrans-62.9-39.5177.4-173.7-88.4000112.1W128 G131 K132 F135 I161 R162 L166 I167 S168W128-Y164 HydrophobicContact CE3-CE2 4.07Å; W128-Y164 AromaticContact CZ3-CE2 3.98Å; W128-Y164 HydrophobicContact CZ3-CE2 3.98Å; W128-Y164 PolarHBondContact O-OH 3.12Å; G131-Y164 VanDerWaalsContact CA-OH 3.27Å; G131-Y164 WeakPolarHBondContact CA-OH 3.45Å; K132-Y164 HydrophobicContact CB-CE1 4.03Å; K132-Y164 PolarHBondContact N-OH 2.98Å; F135-Y164 AromaticContact CD2-CD1 3.49Å; F135-Y164 HydrophobicContact CD2-CD1 3.49Å; F135-Y164 VanDerWaalsContact CD2-CD1 3.49Å; F135-Y164 AromaticContact CD2-CD2 3.66Å; F135-Y164 HydrophobicContact CD2-CD2 3.66Å; F135-Y164 AromaticContact CD2-CE1 3.71Å; F135-Y164 HydrophobicContact CD2-CE1 3.71Å; F135-Y164 AromaticContact CD2-CE2 3.83Å; F135-Y164 HydrophobicContact CD2-CE2 3.83Å; F135-Y164 AromaticContact CD2-CG 3.47Å; F135-Y164 HydrophobicContact CD2-CG 3.47Å; F135-Y164 VanDerWaalsContact CD2-CG 3.47Å; F135-Y164 AromaticContact CD2-CZ 3.84Å; F135-Y164 HydrophobicContact CE2-CD1 4.16Å; F135-Y164 AromaticContact CE2-CD2 3.41Å; F135-Y164 HydrophobicContact CE2-CD2 3.41Å; F135-Y164 VanDerWaalsContact CE2-CD2 3.41Å; F135-Y164 HydrophobicContact CE2-CE1 4.31Å; F135-Y164 AromaticContact CE2-CE2 3.55Å; F135-Y164 HydrophobicContact CE2-CE2 3.55Å; F135-Y164 AromaticContact CE2-CG 3.71Å; F135-Y164 HydrophobicContact CE2-CG 3.71Å; F135-Y164 HydrophobicContact CG-CD1 4.4Å; F135-Y164 HydrophobicContact CG-CG 4.48Å; I161-Y164 WeakPolarHBondContact O-CB 3.44Å; I161-Y164 PolarHBondContact O-N 2.91Å; R162-Y164 PolarHBondContact O-N 2.8Å; R162-Y164 VanDerWaalsContact O-N 3.14Å; Y164-L166 VanDerWaalsContact C-N 3.34Å; Y164-L166 PolarHBondContact O-N 3.4Å; Y164-I167 PolarHBondContact O-N 3.38Å; Y164-S168 WeakPolarHBondContact O-CB 3.5Å; Y164-S168 PolarHBondContact O-N 2.74Å; Y164-S168 PolarHBondContact O-OG 2.95Å
165F94.6Very high90.7Very high0 Ų037 Ų370%018%0.183CC..Hα-helixtrans-66.6-35.5179.5-64-59.9000112.3L61 L104 I107 K132 F135 Y139 I161 R162 P163 S168 S169L61-F165 HydrophobicContact CD2-CB 3.73Å; L104-F165 HydrophobicContact CD2-CE2 4.08Å; L104-F165 HydrophobicContact CD2-CZ 4.28Å; I107-F165 HydrophobicContact CG2-CD1 4.12Å; K132-F165 HydrophobicContact CG-CD1 4.02Å; K132-F165 HydrophobicContact CG-CE1 3.97Å; F135-F165 HydrophobicContact CB-CZ 4.49Å; Y139-F165 AromaticContact CD2-CE2 3.72Å; Y139-F165 HydrophobicContact CD2-CE2 3.72Å; Y139-F165 HydrophobicContact CD2-CZ 4.37Å; Y139-F165 HydrophobicContact CE2-CE2 4.04Å; I161-F165 HydrophobicContact CG2-CE2 4.05Å; I161-F165 HydrophobicContact CG2-CZ 4.36Å; R162-F165 PolarHBondContact O-N 3.01Å; P163-F165 VanDerWaalsContact C-N 3.34Å; P163-F165 PolarHBondContact O-N 3.16Å; F165-S168 WeakPolarHBondContact CA-OG 3.42Å; F165-S168 PolarHBondContact O-OG 3.11Å; F165-S169 WeakPolarHBondContact O-CB 3.03Å; F165-S169 PolarHBondContact O-N 3.41Å; F165-S169 PolarHBondContact O-OG 3.33Å
166L94.1Very high90.6Very high41 Ų4130.8 Ų30.822%0.21516%0.159CC..Hα-helixtrans-67.2-51.9174-178.467.8000111.4L61 F65 P163 Y164 S168 S169 S170 M173L61-L166 HydrophobicContact CD1-CD1 4.44Å; F65-L166 HydrophobicContact CD1-CD2 4.46Å; F65-L166 HydrophobicContact CE1-CD2 3.63Å; F65-L166 HydrophobicContact CE2-CB 3.53Å; F65-L166 HydrophobicContact CE2-CD2 4Å; F65-L166 HydrophobicContact CE2-CG 4.29Å; F65-L166 HydrophobicContact CZ-CB 3.47Å; F65-L166 VanDerWaalsContact CZ-CB 3.47Å; F65-L166 HydrophobicContact CZ-CD2 3.31Å; F65-L166 HydrophobicContact CZ-CG 3.98Å; P163-L166 PolarHBondContact O-N 2.9Å; Y164-L166 VanDerWaalsContact C-N 3.34Å; Y164-L166 PolarHBondContact O-N 3.4Å; L166-S168 VanDerWaalsContact C-N 3.34Å; L166-S168 PolarHBondContact O-N 2.99Å; L166-S169 PolarHBondContact O-N 3.39Å; L166-S170 PolarHBondContact O-N 3.49Å; L166-M173 HydrophobicContact CD2-CE 3.84Å; L166-M173 HydrophobicContact CD2-SD 4.46Å; L166-M173 HydrophobicContact CG-CE 3.87Å; L166-M173 HydrophobicContact CG-SD 4.1Å
167I94.1Very high90.6Very high22 Ų2233.1 Ų33.111%0.11317%0.172CC..Hα-helixtrans-62.2-43.6-179.6-64167.1000110.5W128 P163 Y164 S169 S170 M173 K174 I552W128-I167 HydrophobicContact CH2-CG2 3.92Å; W128-I167 HydrophobicContact CZ3-CG2 3.88Å; P163-I167 WeakPolarHBondContact O-CG1 3.46Å; P163-I167 PolarHBondContact O-N 3.34Å; Y164-I167 PolarHBondContact O-N 3.38Å; I167-S169 PolarHBondContact O-N 3.01Å; I167-S170 PolarHBondContact O-N 3.19Å; I167-M173 HydrophobicContact CG1-CE 3.8Å; I167-K174 HydrophobicContact CG2-CG 4.49Å; I167-K174 WeakPolarHBondContact O-CG 3.44Å; I167-I552 HydrophobicContact CD1-CD1 4.19Å; I167-I552 HydrophobicContact CG1-CD1 4.05Å
168S92.4Very high90.4Very high11 Ų1135.2 Ų35.28%0.07718%0.178CC..Hα-helixtrans-67.1-23-179.663.60000113.2Y164 F165 L166 K174Y164-S168 WeakPolarHBondContact O-CB 3.5Å; Y164-S168 PolarHBondContact O-N 2.74Å; Y164-S168 PolarHBondContact O-OG 2.95Å; F165-S168 WeakPolarHBondContact CA-OG 3.42Å; F165-S168 PolarHBondContact O-OG 3.11Å; L166-S168 VanDerWaalsContact C-N 3.34Å; L166-S168 PolarHBondContact O-N 2.99Å; S168-K174 VanDerWaalsContact C-CE 3.44Å; S168-K174 VanDerWaalsContact CA-CE 3.41Å; S168-K174 WeakPolarHBondContact O-CE 3.38Å; S168-K174 PolarHBondContact O-NZ 2.93Å
169S89.3Confident89.9Confident48 Ų4835.3 Ų35.334%0.33618%0.178SC..Hα-helixtrans-84.7-25.2177.2-60.40000113.4H57 F165 L166 I167H57-S169 PolarHBondContact NE2-OG 3.27Å; F165-S169 WeakPolarHBondContact O-CB 3.03Å; F165-S169 PolarHBondContact O-N 3.41Å; F165-S169 PolarHBondContact O-OG 3.33Å; L166-S169 PolarHBondContact O-N 3.39Å; I167-S169 PolarHBondContact O-N 3.01Å
170S88.1Confident89.5Confident34 Ų3436.3 Ų36.324%0.23818%0.182CC..  trans-101.8114.1-177.8176.40000112.3L166 I167 L172 M173 K174L166-S170 PolarHBondContact O-N 3.49Å; I167-S170 PolarHBondContact O-N 3.19Å; S170-L172 PolarHBondContact O-N 3Å; S170-M173 PolarHBondContact O-N 2.9Å; S170-M173 WeakPolarHBondContact OG-CG 3.36Å; S170-M173 PolarHBondContact OG-N 3.38Å; S170-K174 WeakPolarHBondContact O-CG 3.42Å; S170-K174 PolarHBondContact O-N 2.96Å; S170-K174 VanDerWaalsContact O-N 3.14Å
171Q83.2Confident89.3Confident102 Ų10243.8 Ų43.848%0.47721%0.207SC..Hα-helixtrans-60.5-35175-63.2-170.15.800112.3K175Q171-K175 WeakPolarHBondContact O-CG 3.33Å; Q171-K175 PolarHBondContact O-N 3.43Å; Q171-K175 VanDerWaalsContact O-N 3.1Å
172L81.8Confident88.8Confident65 Ų6550.7 Ų50.734%0.3423%0.233SC..Hα-helixtrans-69.4-40.3179.7-71.5171.8000112S170 K175 V176 P548S170-L172 PolarHBondContact O-N 3Å; L172-K175 WeakPolarHBondContact O-CB 3.38Å; L172-K175 PolarHBondContact O-N 2.79Å; L172-V176 WeakPolarHBondContact O-CG2 3.22Å; L172-V176 PolarHBondContact O-N 3.39Å; L172-P548 HydrophobicContact CB-CB 3.61Å; L172-P548 HydrophobicContact CB-CG 4.11Å
173M88.7Confident88.3Confident8 Ų850.9 Ų50.94%0.03923%0.234CC..Hα-helixtrans-66.9-39.9176.7-67.8172.269.600111.6L166 I167 S170 K175 V176 L177 P548 G551 I552L166-M173 HydrophobicContact CD2-CE 3.84Å; L166-M173 HydrophobicContact CD2-SD 4.46Å; L166-M173 HydrophobicContact CG-CE 3.87Å; L166-M173 HydrophobicContact CG-SD 4.1Å; I167-M173 HydrophobicContact CG1-CE 3.8Å; S170-M173 PolarHBondContact O-N 2.9Å; S170-M173 WeakPolarHBondContact OG-CG 3.36Å; S170-M173 PolarHBondContact OG-N 3.38Å; M173-K175 VanDerWaalsContact C-N 3.27Å; M173-K175 PolarHBondContact O-N 3.05Å; M173-V176 PolarHBondContact O-N 2.98Å; M173-L177 PolarHBondContact O-N 2.86Å; M173-P548 HydrophobicContact CG-CB 4.23Å; M173-G551 VanDerWaalsContact CE-O 3.29Å; M173-G551 WeakPolarHBondContact CE-O 3.32Å; M173-I552 HydrophobicContact CB-CD1 3.98Å; M173-I552 HydrophobicContact CB-CG1 4.41Å; M173-I552 HydrophobicContact CE-CD1 4.08Å
174K89.3Confident87.9Confident44 Ų4452.8 Ų52.819%0.19124%0.243CC..Hα-helixtrans-57.3-42171.8-67.6176.5-176.6176.90112W128 I167 S168 S170 L177 K178W128-K174 HydrophobicContact CD2-CD 3.86Å; W128-K174 HydrophobicContact CD2-CG 4.05Å; W128-K174 HydrophobicContact CE3-CG 4.41Å; W128-K174 HydrophobicContact CG-CD 3.89Å; W128-K174 HydrophobicContact CH2-CG 4.23Å; W128-K174 HydrophobicContact CZ2-CB 4.16Å; W128-K174 HydrophobicContact CZ2-CD 4.44Å; W128-K174 HydrophobicContact CZ2-CG 3.87Å; W128-K174 HydrophobicContact CZ3-CG 4.49Å; I167-K174 HydrophobicContact CG2-CG 4.49Å; I167-K174 WeakPolarHBondContact O-CG 3.44Å; S168-K174 VanDerWaalsContact C-CE 3.44Å; S168-K174 VanDerWaalsContact CA-CE 3.41Å; S168-K174 WeakPolarHBondContact O-CE 3.38Å; S168-K174 PolarHBondContact O-NZ 2.93Å; S170-K174 WeakPolarHBondContact O-CG 3.42Å; S170-K174 PolarHBondContact O-N 2.96Å; S170-K174 VanDerWaalsContact O-N 3.14Å; K174-L177 PolarHBondContact O-N 3.34Å; K174-K178 WeakPolarHBondContact O-CB 3.48Å; K174-K178 PolarHBondContact O-N 3.44Å
175K83Confident87.5Confident31 Ų3154.2 Ų54.214%0.13526%0.258CS..Hα-helixtrans-62.4-48.7176.4-81.3-174.7172.8-163.10111.3Q171 L172 M173 L177 K178 C179 Y292 S296Q171-K175 WeakPolarHBondContact O-CG 3.33Å; Q171-K175 PolarHBondContact O-N 3.43Å; Q171-K175 VanDerWaalsContact O-N 3.1Å; L172-K175 WeakPolarHBondContact O-CB 3.38Å; L172-K175 PolarHBondContact O-N 2.79Å; M173-K175 VanDerWaalsContact C-N 3.27Å; M173-K175 PolarHBondContact O-N 3.05Å; K175-L177 VanDerWaalsContact C-N 3.35Å; K175-L177 PolarHBondContact O-N 3.23Å; K175-K178 PolarHBondContact O-N 3.5Å; K175-C179 PolarHBondContact O-N 3.39Å; K175-Y292 VanDerWaalsContact C-OH 3.3Å; K175-Y292 WeakPolarHBondContact CA-OH 3.5Å; K175-Y292 HydrophobicContact CB-CE1 4.33Å; K175-Y292 WeakPolarHBondContact CB-OH 3.27Å; K175-Y292 WeakPolarHBondContact CG-OH 3.48Å; K175-Y292 VanDerWaalsContact O-CZ 3.3Å; K175-Y292 PolarHBondContact O-OH 3.33Å; K175-S296 PolarHBondContact NZ-O 3.31Å; K175-S296 PolarHBondContact NZ-OG 2.96Å
176V84.8Confident87.1Confident13 Ų1356.3 Ų56.38%0.07927%0.271CS..Hα-helixtrans-58.8-44175.8174.60000111.5L172 M173 K178 C179 Y180 P548 V549 I552 L653L172-V176 WeakPolarHBondContact O-CG2 3.22Å; L172-V176 PolarHBondContact O-N 3.39Å; M173-V176 PolarHBondContact O-N 2.98Å; V176-K178 PolarHBondContact O-N 3.24Å; V176-C179 VanDerWaalsContact O-CB 3.28Å; V176-C179 WeakPolarHBondContact O-CB 3.48Å; V176-C179 PolarHBondContact O-N 2.93Å; V176-Y180 PolarHBondContact O-N 3.34Å; V176-P548 HydrophobicContact CG2-CB 3.93Å; V176-P548 HydrophobicContact CG2-CG 4.29Å; V176-V549 HydrophobicContact CG1-CG2 4.45Å; V176-V549 HydrophobicContact CG2-CG2 4.34Å; V176-I552 HydrophobicContact CB-CG1 4.25Å; V176-I552 HydrophobicContact CG1-CG1 3.93Å; V176-L653 HydrophobicContact CG1-CD2 3.87Å
177L88.9Confident86.7Confident55 Ų5554.8 Ų54.829%0.28826%0.263SS..Hα-helixtrans-66.5-37.8177.7-168.669.9000112.3W128 M173 K174 K175 C179 Y180 R181 I552W128-L177 HydrophobicContact CH2-CD2 3.9Å; M173-L177 PolarHBondContact O-N 2.86Å; K174-L177 PolarHBondContact O-N 3.34Å; K175-L177 VanDerWaalsContact C-N 3.35Å; K175-L177 PolarHBondContact O-N 3.23Å; L177-C179 VanDerWaalsContact C-N 3.32Å; L177-Y180 PolarHBondContact O-N 3.01Å; L177-R181 WeakPolarHBondContact O-CB 3.17Å; L177-R181 PolarHBondContact O-N 3.45Å; L177-I552 HydrophobicContact CB-CD1 4.44Å
178K86.4Confident86.4Confident150 Ų15059.9 Ų59.965%0.65228%0.284SS*.Hα-helixtrans-63.2-39.7172.6-173.3176.4-178.4178.40111.1K174 K175 V176 R182K174-K178 WeakPolarHBondContact O-CB 3.48Å; K174-K178 PolarHBondContact O-N 3.44Å; K175-K178 PolarHBondContact O-N 3.5Å; V176-K178 PolarHBondContact O-N 3.24Å; K178-R182 PolarHBondContact O-N 2.99Å
179C82.6Confident86.3Confident2 Ų265 Ų651%0.01431%0.311CS..Hα-helixtrans-60.8-51.7172.9-174.90000110.7K175 V176 L177 R181 R182 T183 Y292K175-C179 PolarHBondContact O-N 3.39Å; V176-C179 VanDerWaalsContact O-CB 3.28Å; V176-C179 WeakPolarHBondContact O-CB 3.48Å; V176-C179 PolarHBondContact O-N 2.93Å; L177-C179 VanDerWaalsContact C-N 3.32Å; C179-R181 VanDerWaalsContact C-N 3.32Å; C179-R181 PolarHBondContact O-N 3.17Å; C179-R182 WeakPolarHBondContact O-CA 3.38Å; C179-R182 WeakPolarHBondContact O-CB 3.14Å; C179-R182 PolarHBondContact O-N 3.41Å; C179-T183 PolarHBondContact O-N 3.25Å; C179-T183 PolarHBondContact O-OG1 3.45Å; C179-T183 VanDerWaalsContact O-OG1 3.08Å; C179-Y292 HydrophobicContact CB-CD1 3.51Å; C179-Y292 HydrophobicContact CB-CD2 3.96Å; C179-Y292 HydrophobicContact CB-CE1 3.69Å; C179-Y292 HydrophobicContact CB-CE2 4.12Å; C179-Y292 HydrophobicContact CB-CG 3.67Å; C179-Y292 VanDerWaalsContact SG-CB 3.55Å; C179-Y292 VanDerWaalsContact SG-CD1 3.59Å
180Y86.1Confident86.3Confident29 Ų2964.4 Ų64.411%0.11430%0.304CS..Hα-helixtrans-54.9-47.9178.1-175-95.4000111.5V176 L177 R182 T183 L184 F645V176-Y180 PolarHBondContact O-N 3.34Å; L177-Y180 PolarHBondContact O-N 3.01Å; Y180-R182 VanDerWaalsContact C-N 3.27Å; Y180-R182 PolarHBondContact O-N 3.47Å; Y180-T183 PolarHBondContact O-N 3.09Å; Y180-L184 HydrophobicContact CD1-CD1 4.41Å; Y180-L184 HydrophobicContact CD1-CD2 4.3Å; Y180-L184 HydrophobicContact CD1-CG 4.17Å; Y180-L184 HydrophobicContact CE1-CD1 4.25Å; Y180-L184 HydrophobicContact CE1-CD2 3.61Å; Y180-L184 HydrophobicContact CE1-CG 3.96Å; Y180-L184 PolarHBondContact O-N 3.06Å; Y180-F645 HydrophobicContact CD1-CE2 4.49Å; Y180-F645 HydrophobicContact CE1-CD2 4.08Å; Y180-F645 AromaticContact CE1-CE2 3.7Å; Y180-F645 HydrophobicContact CE1-CE2 3.7Å; Y180-F645 AromaticContact CZ-CD2 3.9Å; Y180-F645 AromaticContact CZ-CE2 3.89Å; Y180-F645 WeakPolarHBondContact OH-CD2 3.31Å
181R89Confident86.4Confident197 Ų19764.8 Ų64.874%0.74330%0.303SS*.Hα-helixtrans-58.9-35.3175.2-179.5176.1174.3159.2-0113L177 C179 T183 P185L177-R181 WeakPolarHBondContact O-CB 3.17Å; L177-R181 PolarHBondContact O-N 3.45Å; C179-R181 VanDerWaalsContact C-N 3.32Å; C179-R181 PolarHBondContact O-N 3.17Å; R181-T183 VanDerWaalsContact C-N 3.34Å; R181-P185 WeakPolarHBondContact O-CD 3.41Å
182R84.5Confident86.8Confident159 Ų15967.5 Ų67.560%0.631%0.313SS*.Hα-helixtrans-72-29.7176-173.1177.7178.5172.60.9112.1K178 C179 Y180 P185K178-R182 PolarHBondContact O-N 2.99Å; C179-R182 WeakPolarHBondContact O-CA 3.38Å; C179-R182 WeakPolarHBondContact O-CB 3.14Å; C179-R182 PolarHBondContact O-N 3.41Å; Y180-R182 VanDerWaalsContact C-N 3.27Å; Y180-R182 PolarHBondContact O-N 3.47Å; R182-P185 WeakPolarHBondContact O-CD 3.01Å
183T83.7Confident87.3Confident5 Ų568.3 Ų68.33%0.03132%0.317CS..Hα-helixtrans-80.1-23.9176.5-500000112.5C179 Y180 R181 T186 L187 V285 Q288C179-T183 PolarHBondContact O-N 3.25Å; C179-T183 PolarHBondContact O-OG1 3.45Å; C179-T183 VanDerWaalsContact O-OG1 3.08Å; Y180-T183 PolarHBondContact O-N 3.09Å; R181-T183 VanDerWaalsContact C-N 3.34Å; T183-T186 PolarHBondContact O-N 3.08Å; T183-T186 VanDerWaalsContact O-N 3.14Å; T183-L187 HydrophobicContact CG2-CD1 4.16Å; T183-L187 HydrophobicContact CG2-CG 4.1Å; T183-L187 PolarHBondContact O-N 3.31Å; T183-V285 HydrophobicContact CG2-CG2 4.16Å; T183-Q288 HydrophobicContact CG2-CB 4.09Å; T183-Q288 HydrophobicContact CG2-CG 4.34Å
184L85.6Confident87.5Confident49 Ų4968.3 Ų68.326%0.25732%0.318SS..Hα-helixtrans-51.2-46.3-179.7-79.3179.1000114.7Y180 T186 L187 F188Y180-L184 HydrophobicContact CD1-CD1 4.41Å; Y180-L184 HydrophobicContact CD1-CD2 4.3Å; Y180-L184 HydrophobicContact CD1-CG 4.17Å; Y180-L184 HydrophobicContact CE1-CD1 4.25Å; Y180-L184 HydrophobicContact CE1-CD2 3.61Å; Y180-L184 HydrophobicContact CE1-CG 3.96Å; Y180-L184 PolarHBondContact O-N 3.06Å; L184-T186 VanDerWaalsContact C-N 3.32Å; L184-T186 PolarHBondContact O-N 3.16Å; L184-L187 HydrophobicContact CD2-CD1 4.3Å; L184-L187 CarbonylContact O-C 3.58Å; L184-L187 WeakPolarHBondContact O-CB 3.36Å; L184-L187 PolarHBondContact O-N 2.96Å; L184-L187 VanDerWaalsContact O-N 3.14Å; L184-F188 HydrophobicContact CB-CD2 4.28Å; L184-F188 HydrophobicContact CB-CE2 4.06Å; L184-F188 HydrophobicContact CD2-CE2 4.34Å; L184-F188 WeakPolarHBondContact O-CD2 3.3Å; L184-F188 PolarHBondContact O-N 3.07Å
185P87.1Confident87.7Confident74 Ų7467.6 Ų67.648%0.48132%0.323SS..Hα-helixtrans-58.8-42.1178.3-25.135.1000113.1R181 R182 F188 N189R181-P185 WeakPolarHBondContact O-CD 3.41Å; R182-P185 WeakPolarHBondContact O-CD 3.01Å; P185-F188 PolarHBondContact O-N 3.31Å; P185-N189 PolarHBondContact O-N 2.96Å; P185-N189 VanDerWaalsContact O-N 3.14Å
186T86.3Confident88.3Confident44 Ų4472.6 Ų72.627%0.2735%0.345SS..Hα-helixtrans-65.3-41.8175.3-52.70000111T183 L184 N189 L190 A284T183-T186 PolarHBondContact O-N 3.08Å; T183-T186 VanDerWaalsContact O-N 3.14Å; L184-T186 VanDerWaalsContact C-N 3.32Å; L184-T186 PolarHBondContact O-N 3.16Å; T186-N189 PolarHBondContact O-N 3.23Å; T186-L190 HydrophobicContact CG2-CD1 4.23Å; T186-L190 WeakPolarHBondContact O-CG 3.23Å; T186-L190 PolarHBondContact O-N 3.18Å; T186-A284 HydrophobicContact CG2-CB 4.05Å
187L86.3Confident88.8Confident8 Ų874.3 Ų74.34%0.04235%0.35CS..Hα-helixtrans-60.3-44.5174.2-72.2171.2000111.5T183 L184 N189 L190 L191 L281 V285T183-L187 HydrophobicContact CG2-CD1 4.16Å; T183-L187 HydrophobicContact CG2-CG 4.1Å; T183-L187 PolarHBondContact O-N 3.31Å; L184-L187 HydrophobicContact CD2-CD1 4.3Å; L184-L187 CarbonylContact O-C 3.58Å; L184-L187 WeakPolarHBondContact O-CB 3.36Å; L184-L187 PolarHBondContact O-N 2.96Å; L184-L187 VanDerWaalsContact O-N 3.14Å; L187-N189 VanDerWaalsContact C-N 3.35Å; L187-N189 PolarHBondContact O-N 3.36Å; L187-L190 PolarHBondContact O-N 3.33Å; L187-L191 VanDerWaalsContact O-CB 3.29Å; L187-L191 WeakPolarHBondContact O-CB 3.43Å; L187-L191 WeakPolarHBondContact O-CG 3.35Å; L187-L191 PolarHBondContact O-N 2.61Å; L187-L281 HydrophobicContact CD2-CD1 3.48Å; L187-L281 VanDerWaalsContact CD2-CD1 3.48Å; L187-L281 HydrophobicContact CD2-CG 4.27Å; L187-V285 HydrophobicContact CD2-CG2 3.52Å; L187-V285 HydrophobicContact CG-CG2 4.33Å
188F88.2Confident89.1Confident129 Ų12972.4 Ų72.457%0.56634%0.34SS*.Hα-helixtrans-61.2-41.4178.9-79-61.2000112.3L184 P185 L190 L191 F192L184-F188 HydrophobicContact CB-CD2 4.28Å; L184-F188 HydrophobicContact CB-CE2 4.06Å; L184-F188 HydrophobicContact CD2-CE2 4.34Å; L184-F188 WeakPolarHBondContact O-CD2 3.3Å; L184-F188 PolarHBondContact O-N 3.07Å; P185-F188 PolarHBondContact O-N 3.31Å; F188-L190 VanDerWaalsContact C-N 3.32Å; F188-L190 PolarHBondContact O-N 3.37Å; F188-L191 PolarHBondContact O-N 3.06Å; F188-F192 WeakPolarHBondContact O-CB 3.39Å; F188-F192 PolarHBondContact O-N 3.45Å
189N89.7Confident89.5Confident119 Ų11968.2 Ų68.264%0.63633%0.327SS*.Hα-helixtrans-62.2-40.9176.1-69.4-10.7000112P185 T186 L187 F192 L193P185-N189 PolarHBondContact O-N 2.96Å; P185-N189 VanDerWaalsContact O-N 3.14Å; T186-N189 PolarHBondContact O-N 3.23Å; L187-N189 VanDerWaalsContact C-N 3.35Å; L187-N189 PolarHBondContact O-N 3.36Å; N189-F192 PolarHBondContact O-N 3.46Å; N189-L193 PolarHBondContact O-N 3.2Å; N189-L193 VanDerWaalsContact O-N 3.14Å
190L89.7Confident90.1Very high36 Ų3669.8 Ų69.819%0.18834%0.338CS..Hα-helixtrans-75.9-35.4179.2-66.2171.3000112.4T186 L187 F188 F192 L193 L194 I280 L281 A284T186-L190 HydrophobicContact CG2-CD1 4.23Å; T186-L190 WeakPolarHBondContact O-CG 3.23Å; T186-L190 PolarHBondContact O-N 3.18Å; L187-L190 PolarHBondContact O-N 3.33Å; F188-L190 VanDerWaalsContact C-N 3.32Å; F188-L190 PolarHBondContact O-N 3.37Å; L190-F192 VanDerWaalsContact C-N 3.31Å; L190-L193 PolarHBondContact O-N 3.14Å; L190-L194 WeakPolarHBondContact O-CB 3.43Å; L190-L194 PolarHBondContact O-N 3.07Å; L190-I280 HydrophobicContact CD2-CG2 3.95Å; L190-L281 HydrophobicContact CB-CD1 3.62Å; L190-L281 HydrophobicContact CD1-CD1 3.86Å; L190-L281 HydrophobicContact CG-CD1 4.4Å; L190-A284 HydrophobicContact CD1-CB 3.4Å; L190-A284 VanDerWaalsContact CD1-CB 3.4Å
191L89Confident90.5Very high41 Ų4168.7 Ų68.722%0.21534%0.335CS..Hα-helixtrans-67-33.4172.1-73.5174.3000111.5L187 F188 L194 G195 L644 V648L187-L191 VanDerWaalsContact O-CB 3.29Å; L187-L191 WeakPolarHBondContact O-CB 3.43Å; L187-L191 WeakPolarHBondContact O-CG 3.35Å; L187-L191 PolarHBondContact O-N 2.61Å; F188-L191 PolarHBondContact O-N 3.06Å; L191-L194 HydrophobicContact CD2-CD2 4.37Å; L191-L194 PolarHBondContact O-N 3.23Å; L191-G195 PolarHBondContact O-N 3.21Å; L191-L644 HydrophobicContact CD1-CD2 4.04Å; L191-L644 HydrophobicContact CD2-CD2 3.54Å; L191-L644 HydrophobicContact CG-CD2 4.45Å; L191-V648 HydrophobicContact CD2-CG1 4.45Å
192F92Very high90.8Very high160 Ų16059.3 Ų59.370%0.70230%0.299SS*.Hα-helixtrans-64.6-46.2171.7178-95.4000111F188 N189 L190 L194 G195 F196F188-F192 WeakPolarHBondContact O-CB 3.39Å; F188-F192 PolarHBondContact O-N 3.45Å; N189-F192 PolarHBondContact O-N 3.46Å; L190-F192 VanDerWaalsContact C-N 3.31Å; F192-L194 VanDerWaalsContact C-N 3.3Å; F192-L194 PolarHBondContact O-N 3.47Å; F192-G195 PolarHBondContact O-N 3.32Å; F192-F196 WeakPolarHBondContact O-CB 3.44Å; F192-F196 PolarHBondContact O-N 3.03Å
193L92.9Very high91.2Very high81 Ų8156.1 Ų56.142%0.42429%0.294SS..Hα-helixtrans-59.9-41.9174.3-178.763.1000111.7N189 L190 F196 W197 L277N189-L193 PolarHBondContact O-N 3.2Å; N189-L193 VanDerWaalsContact O-N 3.14Å; L190-L193 PolarHBondContact O-N 3.14Å; L193-F196 PolarHBondContact O-N 3.49Å; L193-W197 PolarHBondContact O-N 3.24Å; L193-L277 HydrophobicContact CD2-CD2 3.56Å; L193-L277 HydrophobicContact CG-CD2 3.89Å
194L92.5Very high91.6Very high9 Ų959.5 Ų59.55%0.04731%0.314CS..Hα-helixtrans-65-41.8175.1-173.365000112L190 L191 F192 W197 L198 L243 L277 L278 W643L190-L194 WeakPolarHBondContact O-CB 3.43Å; L190-L194 PolarHBondContact O-N 3.07Å; L191-L194 HydrophobicContact CD2-CD2 4.37Å; L191-L194 PolarHBondContact O-N 3.23Å; F192-L194 VanDerWaalsContact C-N 3.3Å; F192-L194 PolarHBondContact O-N 3.47Å; L194-W197 WeakPolarHBondContact O-CB 3.46Å; L194-W197 PolarHBondContact O-N 3.4Å; L194-L198 HydrophobicContact CG-CD1 4.33Å; L194-L198 WeakPolarHBondContact O-CB 3.34Å; L194-L198 VanDerWaalsContact O-CG 3.31Å; L194-L198 WeakPolarHBondContact O-CG 3.41Å; L194-L198 PolarHBondContact O-N 3Å; L194-L243 HydrophobicContact CD1-CD1 4.24Å; L194-L243 HydrophobicContact CD1-CD2 3.71Å; L194-L243 HydrophobicContact CD2-CD2 3.93Å; L194-L243 HydrophobicContact CG-CD2 4.1Å; L194-L277 HydrophobicContact CD1-CB 4.11Å; L194-L277 HydrophobicContact CD1-CD1 3.96Å; L194-L278 HydrophobicContact CD2-CD2 4.15Å; L194-W643 HydrophobicContact CD2-CH2 4.34Å
195G93Very high91.9Very high29 Ų2957.1 Ų57.130%0.29930%0.302SS..Hα-helixtrans-62.5-42.3175.200000111.9L191 F192 L198 V199L191-G195 PolarHBondContact O-N 3.21Å; F192-G195 PolarHBondContact O-N 3.32Å; G195-L198 PolarHBondContact O-N 3.49Å; G195-V199 VanDerWaalsContact O-CG2 3.32Å; G195-V199 WeakPolarHBondContact O-CG2 3.29Å; G195-V199 PolarHBondContact O-N 3.13Å
196F94.9Very high92Very high135 Ų13555.5 Ų55.559%0.59229%0.288SS*.Hα-helixtrans-61.4-45.5173.5177-97.7000111.7F192 L193 L198 V199 S200F192-F196 WeakPolarHBondContact O-CB 3.44Å; F192-F196 PolarHBondContact O-N 3.03Å; L193-F196 PolarHBondContact O-N 3.49Å; F196-L198 PolarHBondContact O-N 3.34Å; F196-V199 PolarHBondContact O-N 3.07Å; F196-S200 WeakPolarHBondContact O-CB 3.35Å; F196-S200 PolarHBondContact O-N 3.24Å; F196-S200 PolarHBondContact O-OG 3.21Å
197W95.6Very high92.1Very high49 Ų4958.8 Ų58.819%0.18631%0.311CS..Hα-helixtrans-58.2-47.3173.7176.8-115.5000112L193 L194 S200 A201 V268 Y269 V272 L277L193-W197 PolarHBondContact O-N 3.24Å; L194-W197 WeakPolarHBondContact O-CB 3.46Å; L194-W197 PolarHBondContact O-N 3.4Å; W197-S200 WeakPolarHBondContact CA-OG 3.44Å; W197-S200 PolarHBondContact O-N 2.98Å; W197-S200 PolarHBondContact O-OG 3.32Å; W197-A201 WeakPolarHBondContact O-CB 3.41Å; W197-A201 PolarHBondContact O-N 3.39Å; W197-V268 HydrophobicContact CH2-CG1 4.31Å; W197-Y269 HydrophobicContact CZ2-CD2 4.16Å; W197-Y269 AromaticContact NE1-CD2 3.86Å; W197-Y269 AromaticContact NE1-CE2 3.75Å; W197-V272 HydrophobicContact CD2-CG1 4.07Å; W197-V272 HydrophobicContact CE3-CG1 4.17Å; W197-V272 HydrophobicContact CH2-CB 3.79Å; W197-V272 HydrophobicContact CH2-CG1 3.93Å; W197-V272 HydrophobicContact CH2-CG2 4.06Å; W197-V272 HydrophobicContact CZ2-CB 3.5Å; W197-V272 HydrophobicContact CZ2-CG1 3.8Å; W197-V272 HydrophobicContact CZ2-CG2 4.22Å; W197-V272 HydrophobicContact CZ3-CB 4.48Å; W197-V272 HydrophobicContact CZ3-CG1 4.12Å; W197-L277 HydrophobicContact CB-CD1 3.65Å; W197-L277 HydrophobicContact CG-CD1 3.72Å
198L95.3Very high92.1Very high16 Ų1663 Ų638%0.08434%0.337CS..Hα-helixtrans-60.7-47.8178-74.9171.7000112.2L194 G195 F196 A201 T202 L236 L240 L243 Y269L194-L198 HydrophobicContact CG-CD1 4.33Å; L194-L198 WeakPolarHBondContact O-CB 3.34Å; L194-L198 VanDerWaalsContact O-CG 3.31Å; L194-L198 WeakPolarHBondContact O-CG 3.41Å; L194-L198 PolarHBondContact O-N 3Å; G195-L198 PolarHBondContact O-N 3.49Å; F196-L198 PolarHBondContact O-N 3.34Å; L198-A201 PolarHBondContact O-N 3.44Å; L198-T202 WeakPolarHBondContact O-CB 3.27Å; L198-T202 PolarHBondContact O-N 3.03Å; L198-T202 PolarHBondContact O-OG1 3.06Å; L198-L236 HydrophobicContact CB-CD1 4.15Å; L198-L240 HydrophobicContact CD1-CD1 3.85Å; L198-L243 HydrophobicContact CD1-CD2 4.43Å; L198-L243 HydrophobicContact CD2-CB 4.46Å; L198-L243 HydrophobicContact CD2-CD2 4.26Å; L198-Y269 WeakPolarHBondContact CD2-OH 3.13Å
199V95.8Very high91.9Very high61 Ų6158.2 Ų58.237%0.3732%0.316SS..Hα-helixtrans-65.2-45.9179.9171.60000111.1G195 F196 A201 T202 L203 F232 L236G195-V199 VanDerWaalsContact O-CG2 3.32Å; G195-V199 WeakPolarHBondContact O-CG2 3.29Å; G195-V199 PolarHBondContact O-N 3.13Å; F196-V199 PolarHBondContact O-N 3.07Å; V199-A201 PolarHBondContact O-N 2.76Å; V199-T202 WeakPolarHBondContact O-CB 3.42Å; V199-T202 PolarHBondContact O-N 2.99Å; V199-L203 HydrophobicContact CG1-CD1 4.4Å; V199-L203 WeakPolarHBondContact O-CG 3.38Å; V199-L203 PolarHBondContact O-N 3.17Å; V199-F232 HydrophobicContact CG1-CZ 4.35Å; V199-L236 HydrophobicContact CG2-CD1 4.38Å
200S94.9Very high91.4Very high35 Ų3555.9 Ų55.925%0.24530%0.304CS..Hα-helixtrans-61.8-44.6177.962.10000112F196 W197 T202 L203 V204F196-S200 WeakPolarHBondContact O-CB 3.35Å; F196-S200 PolarHBondContact O-N 3.24Å; F196-S200 PolarHBondContact O-OG 3.21Å; W197-S200 WeakPolarHBondContact CA-OG 3.44Å; W197-S200 PolarHBondContact O-N 2.98Å; W197-S200 PolarHBondContact O-OG 3.32Å; S200-T202 VanDerWaalsContact C-N 3.31Å; S200-T202 PolarHBondContact O-N 2.89Å; S200-L203 PolarHBondContact O-N 3.05Å; S200-V204 WeakPolarHBondContact O-CG2 3.4Å; S200-V204 PolarHBondContact O-N 3.42Å
201A94.5Very high90.4Very high6 Ų662 Ų625%0.0533%0.329CS..Hα-helixtrans-64.5-34.8175.400000112.6W197 L198 V199 V204 A205 L239 Y269W197-A201 WeakPolarHBondContact O-CB 3.41Å; W197-A201 PolarHBondContact O-N 3.39Å; L198-A201 PolarHBondContact O-N 3.44Å; V199-A201 PolarHBondContact O-N 2.76Å; A201-V204 PolarHBondContact O-N 3.26Å; A201-A205 VanDerWaalsContact O-CB 3.23Å; A201-A205 WeakPolarHBondContact O-CB 3.01Å; A201-A205 PolarHBondContact O-N 3.02Å; A201-L239 HydrophobicContact CB-CD1 4.18Å; A201-Y269 HydrophobicContact CB-CD2 3.63Å; A201-Y269 HydrophobicContact CB-CE2 3.58Å
202T94.4Very high89Confident0 Ų064.2 Ų64.20%035%0.346CS..Hα-helixtrans-62-48.2174.4-59.20000110.8L198 V199 S200 V204 A205 M206 F232 T235 L236L198-T202 WeakPolarHBondContact O-CB 3.27Å; L198-T202 PolarHBondContact O-N 3.03Å; L198-T202 PolarHBondContact O-OG1 3.06Å; V199-T202 WeakPolarHBondContact O-CB 3.42Å; V199-T202 PolarHBondContact O-N 2.99Å; S200-T202 VanDerWaalsContact C-N 3.31Å; S200-T202 PolarHBondContact O-N 2.89Å; T202-V204 PolarHBondContact O-N 3.02Å; T202-A205 PolarHBondContact O-N 3.33Å; T202-M206 HydrophobicContact CG2-SD 4.38Å; T202-M206 WeakPolarHBondContact O-CG 3.25Å; T202-M206 PolarHBondContact O-N 2.69Å; T202-F232 HydrophobicContact CG2-CD2 3.76Å; T202-F232 HydrophobicContact CG2-CE2 3.74Å; T202-F232 HydrophobicContact CG2-CG 4.47Å; T202-F232 HydrophobicContact CG2-CZ 4.42Å; T202-T235 HydrophobicContact CG2-CG2 3.81Å; T202-L236 HydrophobicContact CG2-CB 3.98Å; T202-L236 WeakPolarHBondContact OG1-CA 3.08Å; T202-L236 VanDerWaalsContact OG1-CD1 3.28Å; T202-L236 WeakPolarHBondContact OG1-CD1 3.36Å
203L93.8Very high87.3Confident92 Ų9263.4 Ų63.448%0.48235%0.349SS..Hα-helixtrans-61.9-44177.7-67.2172.6000111.5V199 S200 M206 C207 F232V199-L203 HydrophobicContact CG1-CD1 4.4Å; V199-L203 WeakPolarHBondContact O-CG 3.38Å; V199-L203 PolarHBondContact O-N 3.17Å; S200-L203 PolarHBondContact O-N 3.05Å; L203-M206 PolarHBondContact O-N 3.35Å; L203-C207 WeakPolarHBondContact O-CB 3.34Å; L203-C207 PolarHBondContact O-N 3.07Å; L203-C207 PolarHBondContact O-SG 2.89Å; L203-F232 HydrophobicContact CD2-CD2 4.27Å; L203-F232 HydrophobicContact CD2-CE2 4.01Å; L203-F232 HydrophobicContact CG-CE2 4.41Å
204V92.9Very high85.1Confident76 Ų7671 Ų7146%0.46137%0.372SS..Hα-helixtrans-62.2-45.8175.7173.50000111.2S200 A201 T202 M206 C207 V208 F265S200-V204 WeakPolarHBondContact O-CG2 3.4Å; S200-V204 PolarHBondContact O-N 3.42Å; A201-V204 PolarHBondContact O-N 3.26Å; T202-V204 PolarHBondContact O-N 3.02Å; V204-M206 PolarHBondContact O-N 3.01Å; V204-C207 PolarHBondContact O-N 2.97Å; V204-V208 HydrophobicContact CG1-CG2 4.19Å; V204-V208 WeakPolarHBondContact O-CB 3.3Å; V204-V208 VanDerWaalsContact O-CG2 3.24Å; V204-V208 WeakPolarHBondContact O-CG2 3.48Å; V204-V208 PolarHBondContact O-N 3.18Å; V204-F265 HydrophobicContact CG1-CD2 4.28Å; V204-F265 HydrophobicContact CG1-CE2 4.18Å
205A90.9Very high83.1Confident0 Ų076.4 Ų76.40%040%0.401CS..Hα-helixtrans-61.3-43.1179.300000111.9A201 T202 V208 F209 F229 T235 L239 F265A201-A205 VanDerWaalsContact O-CB 3.23Å; A201-A205 WeakPolarHBondContact O-CB 3.01Å; A201-A205 PolarHBondContact O-N 3.02Å; T202-A205 PolarHBondContact O-N 3.33Å; A205-V208 PolarHBondContact O-N 3.02Å; A205-F209 HydrophobicContact CB-CD2 4.01Å; A205-F209 HydrophobicContact CB-CE2 4.27Å; A205-F209 WeakPolarHBondContact O-CB 3.24Å; A205-F209 VanDerWaalsContact O-CD2 3.27Å; A205-F209 WeakPolarHBondContact O-CD2 3.27Å; A205-F209 PolarHBondContact O-N 3.16Å; A205-F229 HydrophobicContact CB-CD1 4.16Å; A205-F229 HydrophobicContact CB-CE1 3.99Å; A205-T235 HydrophobicContact CB-CG2 4.13Å; A205-L239 HydrophobicContact CB-CD1 4.07Å; A205-F265 HydrophobicContact CB-CE2 4.25Å; A205-F265 HydrophobicContact CB-CZ 3.82Å
206M88.8Confident81.1Confident40 Ų4080.2 Ų80.220%0.19741%0.414CS..Hα-helixtrans-63.4-43.4174.6-70.2-177.978.500111.6T202 L203 V204 V208 N210 F232 T235T202-M206 HydrophobicContact CG2-SD 4.38Å; T202-M206 WeakPolarHBondContact O-CG 3.25Å; T202-M206 PolarHBondContact O-N 2.69Å; L203-M206 PolarHBondContact O-N 3.35Å; V204-M206 PolarHBondContact O-N 3.01Å; M206-V208 VanDerWaalsContact C-N 3.31Å; M206-V208 PolarHBondContact O-N 2.92Å; M206-N210 WeakPolarHBondContact O-CB 3.26Å; M206-N210 PolarHBondContact O-N 3.12Å; M206-N210 VanDerWaalsContact O-N 3.08Å; M206-F232 HydrophobicContact CE-CB 4.23Å; M206-F232 VanDerWaalsContact SD-CA 3.51Å; M206-F232 HydrophobicContact SD-CB 3.88Å; M206-F232 HydrophobicContact SD-CD2 3.92Å; M206-F232 HydrophobicContact SD-CG 4.39Å; M206-T235 HydrophobicContact CG-CG2 4.03Å
207C87.8Confident78.7Confident112 Ų11278.8 Ų78.876%0.75742%0.416SS*.Hα-helixtrans-64.6-33.1178-71.70000113.4L203 V204L203-C207 WeakPolarHBondContact O-CB 3.34Å; L203-C207 PolarHBondContact O-N 3.07Å; L203-C207 PolarHBondContact O-SG 2.89Å; V204-C207 PolarHBondContact O-N 2.97Å
208V86.6Confident76.4Confident96 Ų9685.7 Ų85.758%0.58245%0.448SS*.Hα-helixtrans-89.7-39.3-175.4177.30000112.3V204 A205 M206V204-V208 HydrophobicContact CG1-CG2 4.19Å; V204-V208 WeakPolarHBondContact O-CB 3.3Å; V204-V208 VanDerWaalsContact O-CG2 3.24Å; V204-V208 WeakPolarHBondContact O-CG2 3.48Å; V204-V208 PolarHBondContact O-N 3.18Å; A205-V208 PolarHBondContact O-N 3.02Å; M206-V208 VanDerWaalsContact C-N 3.31Å; M206-V208 PolarHBondContact O-N 2.92Å
209F85.1Confident74Confident29 Ų2992.3 Ų92.313%0.12748%0.483CS..Hα-helixtrans-106.7-19.1-169.9-54.6-54.1000114.6A205 K211 F229 P255 T262 F265A205-F209 HydrophobicContact CB-CD2 4.01Å; A205-F209 HydrophobicContact CB-CE2 4.27Å; A205-F209 WeakPolarHBondContact O-CB 3.24Å; A205-F209 VanDerWaalsContact O-CD2 3.27Å; A205-F209 WeakPolarHBondContact O-CD2 3.27Å; A205-F209 PolarHBondContact O-N 3.16Å; F209-K211 PolarHBondContact O-N 3.03Å; F209-F229 HydrophobicContact CB-CB 4.28Å; F209-F229 HydrophobicContact CB-CD2 4.06Å; F209-F229 HydrophobicContact CB-CG 4.04Å; F209-F229 HydrophobicContact CD2-CD1 4.32Å; F209-F229 HydrophobicContact CD2-CE1 4.14Å; F209-F229 HydrophobicContact CD2-CE2 4.37Å; F209-F229 HydrophobicContact CD2-CZ 4.16Å; F209-P255 HydrophobicContact CD1-CB 3.49Å; F209-P255 VanDerWaalsContact CD1-CB 3.49Å; F209-P255 HydrophobicContact CD1-CG 4.3Å; F209-P255 HydrophobicContact CE1-CB 3.75Å; F209-P255 HydrophobicContact CE1-CG 4.42Å; F209-P255 HydrophobicContact CG-CB 4.19Å; F209-T262 HydrophobicContact CE1-CG2 3.71Å; F209-T262 HydrophobicContact CZ-CG2 3.8Å; F209-F265 AromaticContact CE2-CD1 3.71Å; F209-F265 HydrophobicContact CE2-CD1 3.71Å; F209-F265 HydrophobicContact CE2-CD2 4.44Å; F209-F265 AromaticContact CE2-CE1 3.92Å; F209-F265 HydrophobicContact CE2-CE1 3.92Å; F209-F265 AromaticContact CE2-CG 4Å; F209-F265 HydrophobicContact CE2-CG 4Å; F209-F265 HydrophobicContact CE2-CZ 4.37Å; F209-F265 HydrophobicContact CZ-CB 4.13Å; F209-F265 AromaticContact CZ-CD1 3.91Å; F209-F265 HydrophobicContact CZ-CD1 3.91Å; F209-F265 AromaticContact CZ-CG 3.99Å; F209-F265 HydrophobicContact CZ-CG 3.99Å
210N79.9Confident71.5Confident71 Ų7191.5 Ų91.538%0.3848%0.48SS..  trans-76.4120.8177.3-165.3-2000109.8M206M206-N210 WeakPolarHBondContact O-CB 3.26Å; M206-N210 PolarHBondContact O-N 3.12Å; M206-N210 VanDerWaalsContact O-N 3.08Å
211K67.5Low69Low163 Ų16395.1 Ų95.171%0.70950%0.501SS*.  trans-104.1128173.1-69.7-171.6177.2-177.70109.3F209 N213F209-K211 PolarHBondContact O-N 3.03Å; K211-N213 PolarHBondContact O-N 3.24Å
212P60.6Low66.4Low88 Ų88100.9 Ų100.957%0.57154%0.535SS*.  trans-63.2138174.625.1-31.1000110.1R214 D215P212-R214 PolarHBondContact O-N 3.47Å; P212-D215 PolarHBondContact O-N 3.21Å
213N54.7Low63.8Low144 Ų144106.7 Ų106.777%0.7757%0.566SS**G310 helixtrans-53.5-3.2-177.8-80.5-17000116.3K211 D215K211-N213 PolarHBondContact O-N 3.24Å; N213-D215 VanDerWaalsContact C-N 3.33Å; N213-D215 PolarHBondContact O-N 3.17Å
214R47.5Very low61.2Low239 Ų239108 Ų10890%0.90258%0.578SS**G310 helixtrans-75.9-16.5-177.3-70.4-175169.5171.9-2.8114P212P212-R214 PolarHBondContact O-N 3.47Å
215D50Low58.9Low123 Ų123108.4 Ų108.466%0.65858%0.581SS**G310 helixtrans-97.44.6179.2-68.6-17.8000114.3P212 N213 T217P212-D215 PolarHBondContact O-N 3.21Å; N213-D215 VanDerWaalsContact C-N 3.33Å; N213-D215 PolarHBondContact O-N 3.17Å; D215-T217 VanDerWaalsContact C-N 3.31Å; D215-T217 PolarHBondContact O-N 3.44Å
216L51.6Low57.1Low109 Ų109113.2 Ų113.257%0.57161%0.61SS**  trans-77.381.6174-8688.9000110.5
217T44.6Very low55.6Low105 Ų105116.3 Ų116.364%0.64463%0.632SS**  trans-62.9147.9157.852.30000109.4D215 D219 S220D215-T217 VanDerWaalsContact C-N 3.31Å; D215-T217 PolarHBondContact O-N 3.44Å; T217-D219 PolarHBondContact O-N 3.08Å; T217-S220 PolarHBondContact O-N 3.16Å; T217-S220 VanDerWaalsContact O-N 3.11Å; T217-S220 PolarHBondContact O-OG 2.92Å
218K47.5Very low54.5Low194 Ų194112 Ų11284%0.84360%0.604SS**G310 helixtrans-52.8-11.9-170.9-79.7176.8173.4175.80115.9V221K218-V221 WeakPolarHBondContact O-CG2 3.29Å
219D44.3Very low54.1Low156 Ų156108.1 Ų108.183%0.83458%0.579SS**G310 helixtrans-87.4-2.2-179.9-64.1-25.3000114.3T217T217-D219 PolarHBondContact O-N 3.08Å
220S43.8Very low53.7Low44 Ų44110.5 Ų110.531%0.30860%0.597SS.*G310 helixtrans-975.6-18058.30000115T217 V222 N223T217-S220 PolarHBondContact O-N 3.16Å; T217-S220 VanDerWaalsContact O-N 3.11Å; T217-S220 PolarHBondContact O-OG 2.92Å; S220-V222 PolarHBondContact O-N 3.12Å; S220-N223 PolarHBondContact O-N 2.71Å
221V41.2Very low53.9Low110 Ų110110.5 Ų110.567%0.66760%0.596SS**THydrogen-bonded Turntrans-65-12.6-175.8178.60000113.1K218K218-V221 WeakPolarHBondContact O-CG2 3.29Å
222V40.9Very low55.1Low128 Ų128106.5 Ų106.578%0.77658%0.579SS**THydrogen-bonded Turntrans-89.1-11.6-179.5-173.90000113.5S220S220-V222 PolarHBondContact O-N 3.12Å
223N38.8Very low56.5Low121 Ų121105.9 Ų105.965%0.64757%0.566SS**  trans-104.658.9-179.2-72.6-11.4000112.8S220 T225S220-N223 PolarHBondContact O-N 2.71Å; N223-T225 PolarHBondContact O-N 2.92Å
224T39.4Very low58.1Low119 Ų119101.1 Ų101.173%0.7354%0.541SS*.THydrogen-bonded Turntrans-72.641.2173.439.40000113.8
225T46.4Very low60.2Low85 Ų8589.8 Ų89.852%0.52150%0.498SS..THydrogen-bonded Turntrans-116.86.5-176.356.40000114.5N223 T227N223-T225 PolarHBondContact O-N 2.92Å; T225-T227 VanDerWaalsContact C-N 3.3Å; T225-T227 PolarHBondContact O-N 3.01Å
226T51.7Low62.3Low102 Ų10286.1 Ų86.163%0.62648%0.478SS*.  trans-91.125.9175.655.60000113.7A228T226-A228 PolarHBondContact O-N 2.86Å
227T58Low64.2Low105 Ų10582.3 Ų82.364%0.64446%0.457SS*.G310 helixtrans-70.8-14.3-177.854.50000114T225 T230T225-T227 VanDerWaalsContact C-N 3.3Å; T225-T227 PolarHBondContact O-N 3.01Å; T227-T230 PolarHBondContact O-OG1 2.98Å
228A63.8Low66.5Low22 Ų2278.5 Ų78.518%0.18243%0.434CS..G310 helixtrans-77-22.9-172.700000114.7T226 I251T226-A228 PolarHBondContact O-N 2.86Å; A228-I251 HydrophobicContact CB-CD1 4.08Å; A228-I251 HydrophobicContact CB-CG1 3.94Å
229F77.9Confident68.7Low13 Ų1369.2 Ų69.26%0.05739%0.394CS..G310 helixtrans-118.629.3-170.8-61.6-73000113.7A205 F209 T235 I251 P255A205-F229 HydrophobicContact CB-CD1 4.16Å; A205-F229 HydrophobicContact CB-CE1 3.99Å; F209-F229 HydrophobicContact CB-CB 4.28Å; F209-F229 HydrophobicContact CB-CD2 4.06Å; F209-F229 HydrophobicContact CB-CG 4.04Å; F209-F229 HydrophobicContact CD2-CD1 4.32Å; F209-F229 HydrophobicContact CD2-CE1 4.14Å; F209-F229 HydrophobicContact CD2-CE2 4.37Å; F209-F229 HydrophobicContact CD2-CZ 4.16Å; F229-T235 WeakPolarHBondContact CA-OG1 3.26Å; F229-T235 HydrophobicContact CD1-CG2 3.6Å; F229-T235 HydrophobicContact CE1-CG2 4.04Å; F229-I251 HydrophobicContact CE2-CG1 4.03Å; F229-I251 HydrophobicContact CZ-CD1 4.03Å; F229-I251 HydrophobicContact CZ-CG1 3.84Å; F229-P255 HydrophobicContact CE2-CG 4.29Å
230T77Confident71.1Confident80 Ų8062.6 Ų62.649%0.49136%0.358SS..SBendtrans-87.9-45.9-174.551.90000113.3T227T227-T230 PolarHBondContact O-OG1 2.98Å
231D85Confident73.4Confident70 Ų7060.6 Ų60.637%0.37435%0.345SS..SBendtrans-116.3152.2-177.1-168.19.1000110.2Y233 D234 T235D231-Y233 VanDerWaalsContact C-N 3.29Å; D231-Y233 PolarHBondContact O-N 3.04Å; D231-D234 HydrophobicContact CB-CB 4.36Å; D231-D234 PolarHBondContact O-N 3.26Å; D231-T235 VanDerWaalsContact O-CB 3.31Å; D231-T235 WeakPolarHBondContact O-CB 3.48Å; D231-T235 PolarHBondContact O-N 2.63Å; D231-T235 PolarHBondContact O-OG1 2.75Å
232F91.5Very high76Confident79 Ų7955.4 Ų55.435%0.34631%0.313SS..Hα-helixtrans-58.5-44.3178.1175.8-94000111.2V199 T202 L203 M206 L236V199-F232 HydrophobicContact CG1-CZ 4.35Å; T202-F232 HydrophobicContact CG2-CD2 3.76Å; T202-F232 HydrophobicContact CG2-CE2 3.74Å; T202-F232 HydrophobicContact CG2-CG 4.47Å; T202-F232 HydrophobicContact CG2-CZ 4.42Å; L203-F232 HydrophobicContact CD2-CD2 4.27Å; L203-F232 HydrophobicContact CD2-CE2 4.01Å; L203-F232 HydrophobicContact CG-CE2 4.41Å; M206-F232 HydrophobicContact CE-CB 4.23Å; M206-F232 VanDerWaalsContact SD-CA 3.51Å; M206-F232 HydrophobicContact SD-CB 3.88Å; M206-F232 HydrophobicContact SD-CD2 3.92Å; M206-F232 HydrophobicContact SD-CG 4.39Å; F232-L236 HydrophobicContact CE1-CD2 4.16Å; F232-L236 WeakPolarHBondContact O-CB 3.47Å; F232-L236 PolarHBondContact O-N 3.11Å
233Y91.5Very high78.5Confident76 Ų7649.3 Ų49.330%0.29828%0.276SS..Hα-helixtrans-65.4-49.4-179.4-178.6-94.8000112.4D231 T235 L236 F237 H636D231-Y233 VanDerWaalsContact C-N 3.29Å; D231-Y233 PolarHBondContact O-N 3.04Å; Y233-T235 VanDerWaalsContact C-N 3.29Å; Y233-T235 PolarHBondContact O-N 2.71Å; Y233-L236 PolarHBondContact O-N 3.03Å; Y233-F237 PolarHBondContact O-N 2.97Å; Y233-H636 AromaticContact CZ-ND1 3.9Å; Y233-H636 WeakPolarHBondContact OH-CB 3.46Å; Y233-H636 VanDerWaalsContact OH-CG 3.23Å; Y233-H636 PolarHBondContact OH-ND1 3.14Å
234D88.3Confident81.1Confident44 Ų4444.4 Ų44.424%0.23525%0.25CS..Hα-helixtrans-64.9-37.2-178.9-65.7-27.3000110.9D231 S238D231-D234 HydrophobicContact CB-CB 4.36Å; D231-D234 PolarHBondContact O-N 3.26Å; D234-S238 WeakPolarHBondContact O-CB 3.41Å; D234-S238 PolarHBondContact O-N 3.34Å; D234-S238 PolarHBondContact O-OG 3.21Å
235T91.8Very high83.7Confident0 Ų041.9 Ų41.90%024%0.235CC..Hα-helixtrans-65.3-46.9173.6-53.60000111.4T202 A205 M206 F229 D231 Y233 F237 S238 L239T202-T235 HydrophobicContact CG2-CG2 3.81Å; A205-T235 HydrophobicContact CB-CG2 4.13Å; M206-T235 HydrophobicContact CG-CG2 4.03Å; F229-T235 WeakPolarHBondContact CA-OG1 3.26Å; F229-T235 HydrophobicContact CD1-CG2 3.6Å; F229-T235 HydrophobicContact CE1-CG2 4.04Å; D231-T235 VanDerWaalsContact O-CB 3.31Å; D231-T235 WeakPolarHBondContact O-CB 3.48Å; D231-T235 PolarHBondContact O-N 2.63Å; D231-T235 PolarHBondContact O-OG1 2.75Å; Y233-T235 VanDerWaalsContact C-N 3.29Å; Y233-T235 PolarHBondContact O-N 2.71Å; T235-F237 PolarHBondContact O-N 2.69Å; T235-S238 PolarHBondContact O-N 3.45Å; T235-L239 HydrophobicContact CG2-CD1 4.26Å; T235-L239 HydrophobicContact CG2-CG 4.42Å; T235-L239 WeakPolarHBondContact O-CB 3.39Å; T235-L239 WeakPolarHBondContact O-CG 3.38Å; T235-L239 PolarHBondContact O-N 3.44Å
236L93.4Very high85.8Confident47 Ų4738.7 Ų38.725%0.24622%0.215CC..Hα-helixtrans-59.9-46.9179.9178.468.7000111.2L198 V199 T202 F232 Y233 L239 L240L198-L236 HydrophobicContact CB-CD1 4.15Å; V199-L236 HydrophobicContact CG2-CD1 4.38Å; T202-L236 HydrophobicContact CG2-CB 3.98Å; T202-L236 WeakPolarHBondContact OG1-CA 3.08Å; T202-L236 VanDerWaalsContact OG1-CD1 3.28Å; T202-L236 WeakPolarHBondContact OG1-CD1 3.36Å; F232-L236 HydrophobicContact CE1-CD2 4.16Å; F232-L236 WeakPolarHBondContact O-CB 3.47Å; F232-L236 PolarHBondContact O-N 3.11Å; Y233-L236 PolarHBondContact O-N 3.03Å; L236-L239 PolarHBondContact O-N 3.26Å; L236-L240 PolarHBondContact O-N 3.04Å
237F92.3Very high87.7Confident29 Ų2934.6 Ų34.613%0.12719%0.19CC..Hα-helixtrans-64.8-44.1177.7-177-104.8000111.3Y233 T235 L239 L240 V241 W620 V624 H636Y233-F237 PolarHBondContact O-N 2.97Å; T235-F237 PolarHBondContact O-N 2.69Å; F237-L239 VanDerWaalsContact C-N 3.29Å; F237-L239 PolarHBondContact O-N 3.29Å; F237-L240 HydrophobicContact CD2-CD2 4.44Å; F237-L240 WeakPolarHBondContact O-CB 3.22Å; F237-L240 PolarHBondContact O-N 3.33Å; F237-L240 VanDerWaalsContact O-N 3.1Å; F237-V241 HydrophobicContact CD1-CG2 4.06Å; F237-V241 HydrophobicContact CE1-CG2 3.63Å; F237-V241 HydrophobicContact CE2-CG2 4.31Å; F237-V241 HydrophobicContact CZ-CG2 3.76Å; F237-V241 VanDerWaalsContact O-CG2 3.29Å; F237-V241 WeakPolarHBondContact O-CG2 3.33Å; F237-V241 PolarHBondContact O-N 3.29Å; F237-W620 AromaticContact CE2-CH2 3.61Å; F237-W620 HydrophobicContact CE2-CH2 3.61Å; F237-W620 HydrophobicContact CE2-CZ2 4.47Å; F237-W620 HydrophobicContact CE2-CZ3 4.12Å; F237-W620 AromaticContact CZ-CH2 3.71Å; F237-W620 HydrophobicContact CZ-CH2 3.71Å; F237-W620 HydrophobicContact CZ-CZ2 4.37Å; F237-W620 HydrophobicContact CZ-CZ3 4.02Å; F237-V624 HydrophobicContact CZ-CB 4.46Å; F237-V624 HydrophobicContact CZ-CG1 3.95Å; F237-H636 AromaticContact CD1-NE2 3.9Å; F237-H636 AromaticContact CD2-CD2 3.58Å; F237-H636 AromaticContact CD2-NE2 3.98Å; F237-H636 AromaticContact CE1-NE2 3.7Å; F237-H636 AromaticContact CE2-CD2 3.25Å; F237-H636 WeakPolarHBondContact CE2-CD2 3.27Å; F237-H636 AromaticContact CE2-NE2 3.81Å; F237-H636 AromaticContact CZ-CD2 3.48Å; F237-H636 VanDerWaalsContact CZ-CD2 3.48Å; F237-H636 WeakPolarHBondContact CZ-CD2 3.44Å; F237-H636 AromaticContact CZ-NE2 3.66Å
238S92.1Very high89.3Confident24 Ų2433.8 Ų33.817%0.16818%0.179CC..Hα-helixtrans-63.6-34.5179-61.60000112.9D234 T235 L242 N247 I251D234-S238 WeakPolarHBondContact O-CB 3.41Å; D234-S238 PolarHBondContact O-N 3.34Å; D234-S238 PolarHBondContact O-OG 3.21Å; T235-S238 PolarHBondContact O-N 3.45Å; S238-L242 WeakPolarHBondContact O-CB 3.37Å; S238-L242 PolarHBondContact O-N 3.4Å; S238-N247 PolarHBondContact O-ND2 2.7Å; S238-I251 VanDerWaalsContact CB-CD1 3.41Å
239L94Very high90.6Very high0 Ų035.6 Ų35.60%019%0.188CC..Hα-helixtrans-72.1-38.4171-71.2-177000112.1A201 A205 T235 L236 F237 V241 L242 L243 F265 Y269A201-L239 HydrophobicContact CB-CD1 4.18Å; A205-L239 HydrophobicContact CB-CD1 4.07Å; T235-L239 HydrophobicContact CG2-CD1 4.26Å; T235-L239 HydrophobicContact CG2-CG 4.42Å; T235-L239 WeakPolarHBondContact O-CB 3.39Å; T235-L239 WeakPolarHBondContact O-CG 3.38Å; T235-L239 PolarHBondContact O-N 3.44Å; L236-L239 PolarHBondContact O-N 3.26Å; F237-L239 VanDerWaalsContact C-N 3.29Å; F237-L239 PolarHBondContact O-N 3.29Å; L239-V241 VanDerWaalsContact C-N 3.27Å; L239-V241 PolarHBondContact O-N 3.44Å; L239-L242 HydrophobicContact CD2-CD2 3.86Å; L239-L242 CarbonylContact O-C 3.23Å; L239-L242 WeakPolarHBondContact O-CA 3.45Å; L239-L242 WeakPolarHBondContact O-CB 3.4Å; L239-L242 PolarHBondContact O-N 2.98Å; L239-L243 PolarHBondContact O-N 3.04Å; L239-F265 HydrophobicContact CD2-CE1 4.26Å; L239-F265 HydrophobicContact CD2-CZ 4.23Å; L239-Y269 PolarHBondContact O-OH 3.37Å
240L94Very high91.1Very high16 Ų1640.2 Ų40.28%0.08421%0.214CC..Hα-helixtrans-58.2-41.4171.4176.266.6000111.6L198 L236 F237 L242 L243 T244 I640 W643L198-L240 HydrophobicContact CD1-CD1 3.85Å; L236-L240 PolarHBondContact O-N 3.04Å; F237-L240 HydrophobicContact CD2-CD2 4.44Å; F237-L240 WeakPolarHBondContact O-CB 3.22Å; F237-L240 PolarHBondContact O-N 3.33Å; F237-L240 VanDerWaalsContact O-N 3.1Å; L240-L242 VanDerWaalsContact C-N 3.34Å; L240-L243 HydrophobicContact CD1-CD2 4.4Å; L240-L243 WeakPolarHBondContact O-CB 3.28Å; L240-L243 PolarHBondContact O-N 3.15Å; L240-T244 PolarHBondContact O-N 2.93Å; L240-I640 HydrophobicContact CD2-CD1 3.99Å; L240-I640 HydrophobicContact CD2-CG1 4.02Å; L240-W643 HydrophobicContact CD1-CH2 4.11Å; L240-W643 HydrophobicContact CD1-CZ3 4.04Å
241V93.6Very high91.7Very high3 Ų337.2 Ų37.22%0.01819%0.194CC..Hα-helixtrans-63-41.8172.6177.40000110.2F237 L239 L243 T244 T245 T246 N247 W620 Q621F237-V241 HydrophobicContact CD1-CG2 4.06Å; F237-V241 HydrophobicContact CE1-CG2 3.63Å; F237-V241 HydrophobicContact CE2-CG2 4.31Å; F237-V241 HydrophobicContact CZ-CG2 3.76Å; F237-V241 VanDerWaalsContact O-CG2 3.29Å; F237-V241 WeakPolarHBondContact O-CG2 3.33Å; F237-V241 PolarHBondContact O-N 3.29Å; L239-V241 VanDerWaalsContact C-N 3.27Å; L239-V241 PolarHBondContact O-N 3.44Å; V241-L243 VanDerWaalsContact C-N 3.35Å; V241-L243 PolarHBondContact O-N 2.93Å; V241-T244 CarbonylContact O-C 3.58Å; V241-T244 PolarHBondContact O-N 3.2Å; V241-T244 VanDerWaalsContact O-N 3.08Å; V241-T244 PolarHBondContact O-OG1 2.75Å; V241-T245 PolarHBondContact O-N 3.38Å; V241-T246 WeakPolarHBondContact CG1-OG1 3.49Å; V241-T246 PolarHBondContact O-N 3.08Å; V241-T246 PolarHBondContact O-OG1 3.43Å; V241-T246 VanDerWaalsContact O-OG1 3.07Å; V241-N247 HydrophobicContact CG1-CB 3.73Å; V241-N247 VanDerWaalsContact CG1-CG 3.43Å; V241-W620 HydrophobicContact CB-CZ2 4.3Å; V241-W620 HydrophobicContact CG2-CH2 4.18Å; V241-W620 HydrophobicContact CG2-CZ2 3.52Å; V241-Q621 HydrophobicContact CG1-CB 3.73Å; V241-Q621 HydrophobicContact CG1-CG 4.06Å; V241-Q621 HydrophobicContact CG2-CB 4.14Å
242L94.2Very high91.8Very high1 Ų134.4 Ų34.41%0.00518%0.179CC..Hα-helixtrans-64.3-35.2176.5-176.261.1000113.4S238 L239 L240 T244 T245 N247 H248 I251 L252 Y269 L270S238-L242 WeakPolarHBondContact O-CB 3.37Å; S238-L242 PolarHBondContact O-N 3.4Å; L239-L242 HydrophobicContact CD2-CD2 3.86Å; L239-L242 CarbonylContact O-C 3.23Å; L239-L242 WeakPolarHBondContact O-CA 3.45Å; L239-L242 WeakPolarHBondContact O-CB 3.4Å; L239-L242 PolarHBondContact O-N 2.98Å; L240-L242 VanDerWaalsContact C-N 3.34Å; L242-T244 PolarHBondContact O-N 3.42Å; L242-T245 WeakPolarHBondContact O-CA 3.07Å; L242-T245 PolarHBondContact O-N 2.75Å; L242-N247 WeakPolarHBondContact CA-OD1 3.47Å; L242-N247 WeakPolarHBondContact CB-OD1 3.5Å; L242-N247 PolarHBondContact N-OD1 3.4Å; L242-N247 VanDerWaalsContact N-OD1 3.1Å; L242-H248 HydrophobicContact CD1-CB 3.82Å; L242-I251 HydrophobicContact CD1-CG2 3.97Å; L242-I251 HydrophobicContact CD2-CG2 4.26Å; L242-L252 HydrophobicContact CD1-CD1 4.19Å; L242-L252 HydrophobicContact CD2-CD1 4.22Å; L242-L252 HydrophobicContact CD2-CD2 4.5Å; L242-L252 HydrophobicContact CD2-CG 4.47Å; L242-Y269 HydrophobicContact CB-CE1 4Å; L242-Y269 HydrophobicContact CD2-CD1 3.67Å; L242-Y269 HydrophobicContact CD2-CE1 3.78Å; L242-Y269 HydrophobicContact CG-CD1 3.93Å; L242-Y269 HydrophobicContact CG-CE1 3.73Å; L242-L270 HydrophobicContact CD1-CD2 4.41Å; L242-L270 HydrophobicContact CG-CD2 4.24Å; L242-L270 WeakPolarHBondContact O-CD2 3.39Å
243L94.1Very high91.7Very high0 Ų034 Ų340%018%0.18CC..Hα-helixtrans-57.9-32.9173.7-17770.3000111.6L194 L198 L239 L240 V241 T245 G273 L278L194-L243 HydrophobicContact CD1-CD1 4.24Å; L194-L243 HydrophobicContact CD1-CD2 3.71Å; L194-L243 HydrophobicContact CD2-CD2 3.93Å; L194-L243 HydrophobicContact CG-CD2 4.1Å; L198-L243 HydrophobicContact CD1-CD2 4.43Å; L198-L243 HydrophobicContact CD2-CB 4.46Å; L198-L243 HydrophobicContact CD2-CD2 4.26Å; L239-L243 PolarHBondContact O-N 3.04Å; L240-L243 HydrophobicContact CD1-CD2 4.4Å; L240-L243 WeakPolarHBondContact O-CB 3.28Å; L240-L243 PolarHBondContact O-N 3.15Å; V241-L243 VanDerWaalsContact C-N 3.35Å; V241-L243 PolarHBondContact O-N 2.93Å; L243-T245 VanDerWaalsContact C-N 3.3Å; L243-G273 VanDerWaalsContact CD1-C 3.47Å; L243-L278 HydrophobicContact CD1-CD1 4.38Å; L243-L278 HydrophobicContact CG-CD1 4.12Å
244T92.7Very high91.4Very high17 Ų1732.3 Ų32.310%0.10418%0.178CC..THydrogen-bonded Turntrans-87.13.3174.368.20000114L240 V241 L242 T246 V617 W620 W643L240-T244 PolarHBondContact O-N 2.93Å; V241-T244 CarbonylContact O-C 3.58Å; V241-T244 PolarHBondContact O-N 3.2Å; V241-T244 VanDerWaalsContact O-N 3.08Å; V241-T244 PolarHBondContact O-OG1 2.75Å; L242-T244 PolarHBondContact O-N 3.42Å; T244-T246 VanDerWaalsContact C-N 3.26Å; T244-T246 PolarHBondContact O-N 3.34Å; T244-T246 PolarHBondContact OG1-OG1 3.2Å; T244-V617 HydrophobicContact CG2-CG1 3.91Å; T244-W620 PolarHBondContact OG1-NE1 2.9Å; T244-W643 HydrophobicContact CG2-CZ2 4.15Å
245T94.1Very high91.4Very high66 Ų6631.4 Ų31.441%0.40518%0.175SC..THydrogen-bonded Turntrans57.727.7179.768.10000115.5V241 L242 L243 L270 L274V241-T245 PolarHBondContact O-N 3.38Å; L242-T245 WeakPolarHBondContact O-CA 3.07Å; L242-T245 PolarHBondContact O-N 2.75Å; L243-T245 VanDerWaalsContact C-N 3.3Å; T245-L270 HydrophobicContact CG2-CD2 4.09Å; T245-L274 HydrophobicContact CG2-CD1 4.46Å; T245-L274 HydrophobicContact CG2-CD2 3.55Å
246T91.6Very high91.2Very high18 Ų1836.3 Ų36.311%0.1119%0.194CC..SBendtrans-94.2-23.4-172.244.30000113.8V241 T244 V617 W620 Q621V241-T246 WeakPolarHBondContact CG1-OG1 3.49Å; V241-T246 PolarHBondContact O-N 3.08Å; V241-T246 PolarHBondContact O-OG1 3.43Å; V241-T246 VanDerWaalsContact O-OG1 3.07Å; T244-T246 VanDerWaalsContact C-N 3.26Å; T244-T246 PolarHBondContact O-N 3.34Å; T244-T246 PolarHBondContact OG1-OG1 3.2Å; T246-V617 HydrophobicContact CG2-CG1 3.85Å; T246-V617 WeakPolarHBondContact CG2-O 3.23Å; T246-W620 PolarHBondContact OG1-NE1 3.25Å; T246-Q621 VanDerWaalsContact CB-OE1 3.3Å; T246-Q621 PolarHBondContact O-NE2 2.82Å
247N90.8Very high91Very high17 Ų1740.2 Ų40.29%0.09122%0.215CC..SBendtrans-109.71517364.3-9.4000112.7S238 V241 L242 P249 D250 I251S238-N247 PolarHBondContact O-ND2 2.7Å; V241-N247 HydrophobicContact CG1-CB 3.73Å; V241-N247 VanDerWaalsContact CG1-CG 3.43Å; L242-N247 WeakPolarHBondContact CA-OD1 3.47Å; L242-N247 WeakPolarHBondContact CB-OD1 3.5Å; L242-N247 PolarHBondContact N-OD1 3.4Å; L242-N247 VanDerWaalsContact N-OD1 3.1Å; N247-P249 CarbonylContact O-C 3.36Å; N247-D250 PolarHBondContact O-N 2.91Å; N247-I251 WeakPolarHBondContact O-CG2 3.16Å; N247-I251 PolarHBondContact O-N 3.05Å
248H90.8Very high90.5Very high88 Ų8842.2 Ų42.241%0.40724%0.244SC..THydrogen-bonded Turntrans-88.6130.8169180-75.9000109L242L242-H248 HydrophobicContact CD1-CB 3.82Å
249P92.3Very high90.3Very high59 Ų5946.1 Ų46.138%0.38326%0.263SS..THydrogen-bonded Turncis-90.3-6.37.835.6-36.1000115.1N247 I251 L252 I253N247-P249 CarbonylContact O-C 3.36Å; P249-I251 VanDerWaalsContact C-N 3.34Å; P249-I251 PolarHBondContact O-N 3.44Å; P249-I251 VanDerWaalsContact O-N 3.14Å; P249-L252 PolarHBondContact O-N 3.14Å; P249-I253 HydrophobicContact CB-CD1 3.99Å; P249-I253 HydrophobicContact CB-CG1 4.15Å; P249-I253 HydrophobicContact CG-CD1 3.88Å; P249-I253 PolarHBondContact O-N 3.29Å
250D88.4Confident90.2Very high111 Ų11156 Ų5659%0.59430%0.3SS*.THydrogen-bonded Turntrans-51-42.6-164.7-57.8-18.9000115.2N247 L252 P254N247-D250 PolarHBondContact O-N 2.91Å; D250-L252 VanDerWaalsContact C-N 3.31Å; D250-L252 PolarHBondContact O-N 3.2Å; D250-P254 VanDerWaalsContact O-CD 3.28Å; D250-P254 WeakPolarHBondContact O-CD 3.39Å
251I88.3Confident90Very high16 Ų1656.7 Ų56.78%0.08231%0.312CS..THydrogen-bonded Turntrans-71.1-25.5-178.8-170.2170.1000113.7A228 F229 S238 L242 N247 P249A228-I251 HydrophobicContact CB-CD1 4.08Å; A228-I251 HydrophobicContact CB-CG1 3.94Å; F229-I251 HydrophobicContact CE2-CG1 4.03Å; F229-I251 HydrophobicContact CZ-CD1 4.03Å; F229-I251 HydrophobicContact CZ-CG1 3.84Å; S238-I251 VanDerWaalsContact CB-CD1 3.41Å; L242-I251 HydrophobicContact CD1-CG2 3.97Å; L242-I251 HydrophobicContact CD2-CG2 4.26Å; N247-I251 WeakPolarHBondContact O-CG2 3.16Å; N247-I251 PolarHBondContact O-N 3.05Å; P249-I251 VanDerWaalsContact C-N 3.34Å; P249-I251 PolarHBondContact O-N 3.44Å; P249-I251 VanDerWaalsContact O-N 3.14Å
252L88.6Confident89.7Confident11 Ų1157 Ų576%0.05831%0.314CS..THydrogen-bonded Turntrans-97-18.7-174.4-67.7162.4000112.7L242 P249 D250 P255 Y256 T262 F265 S266L242-L252 HydrophobicContact CD1-CD1 4.19Å; L242-L252 HydrophobicContact CD2-CD1 4.22Å; L242-L252 HydrophobicContact CD2-CD2 4.5Å; L242-L252 HydrophobicContact CD2-CG 4.47Å; P249-L252 PolarHBondContact O-N 3.14Å; D250-L252 VanDerWaalsContact C-N 3.31Å; D250-L252 PolarHBondContact O-N 3.2Å; L252-P255 VanDerWaalsContact O-CD 3.28Å; L252-P255 WeakPolarHBondContact O-CD 2.93Å; L252-P255 WeakPolarHBondContact O-CG 3.14Å; L252-Y256 WeakPolarHBondContact O-CB 3.32Å; L252-Y256 PolarHBondContact O-N 2.88Å; L252-T262 HydrophobicContact CD2-CG2 4.41Å; L252-F265 HydrophobicContact CD2-CD1 4.25Å; L252-S266 WeakPolarHBondContact CD1-OG 3.19Å
253I89.3Confident89.6Confident71 Ų7158.6 Ų58.636%0.36433%0.327SS..Hα-helixtrans-59.3-48.9-180-72.2168.4000112.1P249 Y256 N257P249-I253 HydrophobicContact CB-CD1 3.99Å; P249-I253 HydrophobicContact CB-CG1 4.15Å; P249-I253 HydrophobicContact CG-CD1 3.88Å; P249-I253 PolarHBondContact O-N 3.29Å; I253-Y256 PolarHBondContact O-N 2.66Å; I253-Y256 VanDerWaalsContact O-N 3.17Å; I253-N257 WeakPolarHBondContact O-CB 3.27Å; I253-N257 VanDerWaalsContact O-CG 3.29Å; I253-N257 PolarHBondContact O-N 3.17Å
254P85.4Confident89.6Confident41 Ų4164.1 Ų64.127%0.26636%0.355SS..Hα-helixtrans-57.5-51.1179.7-22.732000114.1D250 Y256 N257 G258D250-P254 VanDerWaalsContact O-CD 3.28Å; D250-P254 WeakPolarHBondContact O-CD 3.39Å; P254-Y256 VanDerWaalsContact C-N 3.31Å; P254-Y256 PolarHBondContact O-N 3.21Å; P254-N257 PolarHBondContact O-N 2.76Å; P254-G258 PolarHBondContact O-N 2.8Å
255P86.8Confident89.6Confident25 Ų2564.9 Ų64.916%0.16236%0.357CS..Hα-helixtrans-69.6-25.1175.325.7-32.6000113.5F209 F229 L252 G258 N259 T262F209-P255 HydrophobicContact CD1-CB 3.49Å; F209-P255 VanDerWaalsContact CD1-CB 3.49Å; F209-P255 HydrophobicContact CD1-CG 4.3Å; F209-P255 HydrophobicContact CE1-CB 3.75Å; F209-P255 HydrophobicContact CE1-CG 4.42Å; F209-P255 HydrophobicContact CG-CB 4.19Å; F229-P255 HydrophobicContact CE2-CG 4.29Å; L252-P255 VanDerWaalsContact O-CD 3.28Å; L252-P255 WeakPolarHBondContact O-CD 2.93Å; L252-P255 WeakPolarHBondContact O-CG 3.14Å; P255-G258 PolarHBondContact O-N 3.45Å; P255-N259 PolarHBondContact O-N 2.74Å; P255-N259 VanDerWaalsContact O-N 3.08Å; P255-T262 HydrophobicContact CB-CG2 3.92Å; P255-T262 HydrophobicContact CG-CG2 3.97Å; P255-T262 PolarHBondContact O-OG1 3.05Å
256Y88.7Confident89.5Confident103 Ų10362.4 Ų62.440%0.40434%0.342SS..Hα-helixtrans-71.7-38.8175.2-178.4-104.3000112.9L252 I253 P254 G258 N259 R260 A263L252-Y256 WeakPolarHBondContact O-CB 3.32Å; L252-Y256 PolarHBondContact O-N 2.88Å; I253-Y256 PolarHBondContact O-N 2.66Å; I253-Y256 VanDerWaalsContact O-N 3.17Å; P254-Y256 VanDerWaalsContact C-N 3.31Å; P254-Y256 PolarHBondContact O-N 3.21Å; Y256-G258 PolarHBondContact O-N 3Å; Y256-N259 CarbonylContact O-C 2.9Å; Y256-N259 VanDerWaalsContact O-C 3.23Å; Y256-N259 PolarHBondContact O-N 3.29Å; Y256-R260 HydrophobicContact CE2-CB 4.37Å; Y256-A263 HydrophobicContact CD2-CB 4.19Å; Y256-A263 HydrophobicContact CE2-CB 3.85Å
257N88Confident89.6Confident128 Ų12867.3 Ų67.368%0.68437%0.366SS*.Hα-helixtrans-62.4-29.6173.7-72.4-13.8000111.8I253 P254I253-N257 WeakPolarHBondContact O-CB 3.27Å; I253-N257 VanDerWaalsContact O-CG 3.29Å; I253-N257 PolarHBondContact O-N 3.17Å; P254-N257 PolarHBondContact O-N 2.76Å
258G83.6Confident89.8Confident71 Ų7170.1 Ų70.173%0.73238%0.384SS*.Hα-helixtrans-76.2-41.9173.300000113.8P254 P255 Y256P254-G258 PolarHBondContact O-N 2.8Å; P255-G258 PolarHBondContact O-N 3.45Å; Y256-G258 PolarHBondContact O-N 3Å
259N87.6Confident90Very high106 Ų10666 Ų6657%0.56737%0.365SS*.  trans-149.7125.2178.6-175.70.4000111.4P255 Y256 G261 T262P255-N259 PolarHBondContact O-N 2.74Å; P255-N259 VanDerWaalsContact O-N 3.08Å; Y256-N259 CarbonylContact O-C 2.9Å; Y256-N259 VanDerWaalsContact O-C 3.23Å; Y256-N259 PolarHBondContact O-N 3.29Å; N259-G261 PolarHBondContact O-N 2.96Å; N259-G261 VanDerWaalsContact O-N 3.12Å; N259-G261 PolarHBondContact OD1-N 3.36Å; N259-T262 VanDerWaalsContact O-CB 3.3Å; N259-T262 WeakPolarHBondContact O-CB 3.46Å; N259-T262 PolarHBondContact O-N 3.4Å; N259-T262 VanDerWaalsContact O-N 3.08Å; N259-T262 PolarHBondContact O-OG1 3.43Å
260R91.5Very high90.1Very high207 Ų20764.3 Ų64.378%0.78135%0.352SS*.THydrogen-bonded Turntrans-58-26.5175.3-67.8-176178.6179.50.1113.1Y256 T262 A263Y256-R260 HydrophobicContact CE2-CB 4.37Å; R260-T262 PolarHBondContact O-N 2.9Å; R260-T262 VanDerWaalsContact O-N 3.16Å; R260-A263 WeakPolarHBondContact O-CB 3.17Å; R260-A263 PolarHBondContact O-N 3.25Å; R260-A263 VanDerWaalsContact O-N 3.14Å
261G88.6Confident90.4Very high32 Ų3260.2 Ų60.233%0.3334%0.336SS..THydrogen-bonded Turntrans-58.7-21.8175.900000114.5N259 A263 I264N259-G261 PolarHBondContact O-N 2.96Å; N259-G261 VanDerWaalsContact O-N 3.12Å; N259-G261 PolarHBondContact OD1-N 3.36Å; G261-A263 PolarHBondContact O-N 3.15Å; G261-A263 VanDerWaalsContact O-N 3.14Å; G261-I264 WeakPolarHBondContact O-CB 3.2Å; G261-I264 PolarHBondContact O-N 3.14Å
262T88.7Confident90.7Very high10 Ų1062 Ų626%0.06135%0.348CS..Hα-helixtrans-55.4-28.9173.3-59.60000112.9F209 L252 P255 N259 R260 I264 F265 S266F209-T262 HydrophobicContact CE1-CG2 3.71Å; F209-T262 HydrophobicContact CZ-CG2 3.8Å; L252-T262 HydrophobicContact CD2-CG2 4.41Å; P255-T262 HydrophobicContact CB-CG2 3.92Å; P255-T262 HydrophobicContact CG-CG2 3.97Å; P255-T262 PolarHBondContact O-OG1 3.05Å; N259-T262 VanDerWaalsContact O-CB 3.3Å; N259-T262 WeakPolarHBondContact O-CB 3.46Å; N259-T262 PolarHBondContact O-N 3.4Å; N259-T262 VanDerWaalsContact O-N 3.08Å; N259-T262 PolarHBondContact O-OG1 3.43Å; R260-T262 PolarHBondContact O-N 2.9Å; R260-T262 VanDerWaalsContact O-N 3.16Å; T262-I264 PolarHBondContact O-N 3.38Å; T262-F265 WeakPolarHBondContact O-CB 3.5Å; T262-F265 PolarHBondContact O-N 2.99Å; T262-S266 PolarHBondContact O-N 2.94Å
263A91.7Very high91Very high33 Ų3361.4 Ų61.427%0.27335%0.345SS..Hα-helixtrans-59.3-32.917600000112.8Y256 R260 G261 S266 I267Y256-A263 HydrophobicContact CD2-CB 4.19Å; Y256-A263 HydrophobicContact CE2-CB 3.85Å; R260-A263 WeakPolarHBondContact O-CB 3.17Å; R260-A263 PolarHBondContact O-N 3.25Å; R260-A263 VanDerWaalsContact O-N 3.14Å; G261-A263 PolarHBondContact O-N 3.15Å; G261-A263 VanDerWaalsContact O-N 3.14Å; A263-S266 PolarHBondContact O-N 3.12Å; A263-I267 VanDerWaalsContact O-CG1 3.28Å; A263-I267 WeakPolarHBondContact O-CG1 3.14Å; A263-I267 PolarHBondContact O-N 2.95Å
264I93.6Very high91.1Very high117 Ų11759.9 Ų59.960%0.634%0.337SS*.Hα-helixtrans-63.1-45.6178.3-59.6173.4000109.9G261 T262 S266 I267 V268G261-I264 WeakPolarHBondContact O-CB 3.2Å; G261-I264 PolarHBondContact O-N 3.14Å; T262-I264 PolarHBondContact O-N 3.38Å; I264-S266 VanDerWaalsContact C-N 3.34Å; I264-S266 PolarHBondContact O-N 3.29Å; I264-I267 PolarHBondContact O-N 3.36Å; I264-V268 HydrophobicContact CG2-CG2 4.32Å; I264-V268 WeakPolarHBondContact O-CB 3.35Å; I264-V268 VanDerWaalsContact O-CG2 3.3Å; I264-V268 WeakPolarHBondContact O-CG2 3.27Å; I264-V268 PolarHBondContact O-N 3.25Å
265F92.6Very high91.5Very high33 Ų3365.5 Ų65.515%0.14535%0.354CS..Hα-helixtrans-57.6-47.4175.7173.5-94.5000111.1V204 A205 F209 L239 L252 T262 I267 V268 Y269V204-F265 HydrophobicContact CG1-CD2 4.28Å; V204-F265 HydrophobicContact CG1-CE2 4.18Å; A205-F265 HydrophobicContact CB-CE2 4.25Å; A205-F265 HydrophobicContact CB-CZ 3.82Å; F209-F265 AromaticContact CE2-CD1 3.71Å; F209-F265 HydrophobicContact CE2-CD1 3.71Å; F209-F265 HydrophobicContact CE2-CD2 4.44Å; F209-F265 AromaticContact CE2-CE1 3.92Å; F209-F265 HydrophobicContact CE2-CE1 3.92Å; F209-F265 AromaticContact CE2-CG 4Å; F209-F265 HydrophobicContact CE2-CG 4Å; F209-F265 HydrophobicContact CE2-CZ 4.37Å; F209-F265 HydrophobicContact CZ-CB 4.13Å; F209-F265 AromaticContact CZ-CD1 3.91Å; F209-F265 HydrophobicContact CZ-CD1 3.91Å; F209-F265 AromaticContact CZ-CG 3.99Å; F209-F265 HydrophobicContact CZ-CG 3.99Å; L239-F265 HydrophobicContact CD2-CE1 4.26Å; L239-F265 HydrophobicContact CD2-CZ 4.23Å; L252-F265 HydrophobicContact CD2-CD1 4.25Å; T262-F265 WeakPolarHBondContact O-CB 3.5Å; T262-F265 PolarHBondContact O-N 2.99Å; F265-I267 PolarHBondContact O-N 3.41Å; F265-V268 PolarHBondContact O-N 2.96Å; F265-Y269 WeakPolarHBondContact O-CB 3.24Å; F265-Y269 PolarHBondContact O-N 2.88Å
266S91.6Very high91.8Very high13 Ų1367.7 Ų67.79%0.09137%0.367CS..Hα-helixtrans-59.5-48.6178.5-1780000112.9L252 T262 A263 I264 Y269 L270L252-S266 WeakPolarHBondContact CD1-OG 3.19Å; T262-S266 PolarHBondContact O-N 2.94Å; A263-S266 PolarHBondContact O-N 3.12Å; I264-S266 VanDerWaalsContact C-N 3.34Å; I264-S266 PolarHBondContact O-N 3.29Å; S266-Y269 PolarHBondContact O-N 3.45Å; S266-L270 WeakPolarHBondContact O-CB 3.24Å; S266-L270 PolarHBondContact O-N 3.25Å
267I94.3Very high92Very high121 Ų12164 Ų6462%0.62135%0.354SS*.Hα-helixtrans-63-44.9-178.1-68.8166000110.5A263 I264 F265 G271A263-I267 VanDerWaalsContact O-CG1 3.28Å; A263-I267 WeakPolarHBondContact O-CG1 3.14Å; A263-I267 PolarHBondContact O-N 2.95Å; I264-I267 PolarHBondContact O-N 3.36Å; F265-I267 PolarHBondContact O-N 3.41Å; I267-G271 WeakPolarHBondContact O-CA 3.07Å; I267-G271 PolarHBondContact O-N 3.03Å
268V95.1Very high92.2Very high76 Ų7659.3 Ų59.346%0.46133%0.329SS..Hα-helixtrans-67.5-44.3178.3174.50000110.6W197 I264 F265 G271 V272W197-V268 HydrophobicContact CH2-CG1 4.31Å; I264-V268 HydrophobicContact CG2-CG2 4.32Å; I264-V268 WeakPolarHBondContact O-CB 3.35Å; I264-V268 VanDerWaalsContact O-CG2 3.3Å; I264-V268 WeakPolarHBondContact O-CG2 3.27Å; I264-V268 PolarHBondContact O-N 3.25Å; F265-V268 PolarHBondContact O-N 2.96Å; V268-G271 PolarHBondContact O-N 3.34Å; V268-V272 WeakPolarHBondContact O-CG2 3.5Å; V268-V272 PolarHBondContact O-N 3.02Å
269Y95.1Very high92.5Very high3 Ų360.2 Ų60.21%0.01232%0.317CS..Hα-helixtrans-58-53.9-179.4-179.9-101.9000112W197 L198 A201 L239 L242 F265 S266 G273W197-Y269 HydrophobicContact CZ2-CD2 4.16Å; W197-Y269 AromaticContact NE1-CD2 3.86Å; W197-Y269 AromaticContact NE1-CE2 3.75Å; L198-Y269 WeakPolarHBondContact CD2-OH 3.13Å; A201-Y269 HydrophobicContact CB-CD2 3.63Å; A201-Y269 HydrophobicContact CB-CE2 3.58Å; L239-Y269 PolarHBondContact O-OH 3.37Å; L242-Y269 HydrophobicContact CB-CE1 4Å; L242-Y269 HydrophobicContact CD2-CD1 3.67Å; L242-Y269 HydrophobicContact CD2-CE1 3.78Å; L242-Y269 HydrophobicContact CG-CD1 3.93Å; L242-Y269 HydrophobicContact CG-CE1 3.73Å; F265-Y269 WeakPolarHBondContact O-CB 3.24Å; F265-Y269 PolarHBondContact O-N 2.88Å; S266-Y269 PolarHBondContact O-N 3.45Å; Y269-G273 WeakPolarHBondContact O-CA 3.4Å; Y269-G273 PolarHBondContact O-N 2.87Å
270L95.1Very high92.7Very high22 Ų2259 Ų5912%0.11531%0.31CS..Hα-helixtrans-72.1-38.7179.2-67.1177.1000111.6L242 T245 S266 V272 L274 Y275L242-L270 HydrophobicContact CD1-CD2 4.41Å; L242-L270 HydrophobicContact CG-CD2 4.24Å; L242-L270 WeakPolarHBondContact O-CD2 3.39Å; T245-L270 HydrophobicContact CG2-CD2 4.09Å; S266-L270 WeakPolarHBondContact O-CB 3.24Å; S266-L270 PolarHBondContact O-N 3.25Å; L270-V272 PolarHBondContact O-N 3.16Å; L270-L274 WeakPolarHBondContact O-CA 3.36Å; L270-L274 WeakPolarHBondContact O-CB 3.39Å; L270-L274 PolarHBondContact O-N 2.92Å; L270-Y275 PolarHBondContact O-N 3.29Å
271G94.9Very high92.6Very high25 Ų2549.4 Ų49.426%0.25827%0.274SS..Iπ-helixtrans-54.2-51.1177.700000112.4I267 V268 Y275 V276I267-G271 WeakPolarHBondContact O-CA 3.07Å; I267-G271 PolarHBondContact O-N 3.03Å; V268-G271 PolarHBondContact O-N 3.34Å; G271-Y275 PolarHBondContact O-N 3.12Å; G271-V276 PolarHBondContact O-N 3.5Å
272V94.7Very high92.5Very high53 Ų5349.8 Ų49.832%0.32127%0.27SS..Iπ-helixtrans-78.5-48.5179.6177.20000111.3W197 V268 L270 V276 L277W197-V272 HydrophobicContact CD2-CG1 4.07Å; W197-V272 HydrophobicContact CE3-CG1 4.17Å; W197-V272 HydrophobicContact CH2-CB 3.79Å; W197-V272 HydrophobicContact CH2-CG1 3.93Å; W197-V272 HydrophobicContact CH2-CG2 4.06Å; W197-V272 HydrophobicContact CZ2-CB 3.5Å; W197-V272 HydrophobicContact CZ2-CG1 3.8Å; W197-V272 HydrophobicContact CZ2-CG2 4.22Å; W197-V272 HydrophobicContact CZ3-CB 4.48Å; W197-V272 HydrophobicContact CZ3-CG1 4.12Å; V268-V272 WeakPolarHBondContact O-CG2 3.5Å; V268-V272 PolarHBondContact O-N 3.02Å; L270-V272 PolarHBondContact O-N 3.16Å; V272-V276 WeakPolarHBondContact O-CB 3.28Å; V272-V276 PolarHBondContact O-N 3.5Å; V272-L277 HydrophobicContact CG1-CD1 4.38Å; V272-L277 HydrophobicContact CG1-CG 4.43Å; V272-L277 WeakPolarHBondContact O-CG 3.37Å; V272-L277 PolarHBondContact O-N 3.09Å
273G93.1Very high92.6Very high0 Ų052.1 Ų52.10%029%0.29CS..Iπ-helixtrans-67.2-53.5-174.700000113.6L243 Y269 L277 L278L243-G273 VanDerWaalsContact CD1-C 3.47Å; Y269-G273 WeakPolarHBondContact O-CA 3.4Å; Y269-G273 PolarHBondContact O-N 2.87Å; G273-L277 WeakPolarHBondContact O-CB 3.23Å; G273-L278 PolarHBondContact O-N 2.67Å
274L92.1Very high92.4Very high38 Ų3851.5 Ų51.520%0.19929%0.285CS..Iπ-helixtrans-81.4-55.4-174.317768.5000111.6T245 L270 L278T245-L274 HydrophobicContact CG2-CD1 4.46Å; T245-L274 HydrophobicContact CG2-CD2 3.55Å; L270-L274 WeakPolarHBondContact O-CA 3.36Å; L270-L274 WeakPolarHBondContact O-CB 3.39Å; L270-L274 PolarHBondContact O-N 2.92Å; L274-L278 HydrophobicContact CD1-CD1 3.88Å; L274-L278 WeakPolarHBondContact O-CB 3.26Å
275Y93.5Very high91.9Very high160 Ų16046.1 Ų46.163%0.62726%0.257SS*.Iπ-helixtrans-83.2-25.3-170.1-60.9-51.9000114.2L270 G271 N279L270-Y275 PolarHBondContact O-N 3.29Å; G271-Y275 PolarHBondContact O-N 3.12Å; Y275-N279 WeakPolarHBondContact O-CB 3.31Å; Y275-N279 PolarHBondContact O-ND2 2.96Å
276V94.1Very high91.5Very high70 Ų7047.8 Ų47.842%0.42426%0.263SS..Iπ-helixtrans-97.2-66.3176.9-178.90000110.3G271 V272 N279 I280G271-V276 PolarHBondContact O-N 3.5Å; V272-V276 WeakPolarHBondContact O-CB 3.28Å; V272-V276 PolarHBondContact O-N 3.5Å; V276-N279 PolarHBondContact O-N 2.86Å; V276-I280 HydrophobicContact CG1-CD1 3.61Å; V276-I280 WeakPolarHBondContact O-CB 3.32Å; V276-I280 WeakPolarHBondContact O-CG1 3.42Å; V276-I280 PolarHBondContact O-N 2.91Å
277L92.9Very high91.3Very high26 Ų2650.8 Ų50.814%0.13628%0.284CS..Iπ-helixtrans-66.2-48.1-169.7-63.4177.8000113.4L193 L194 W197 V272 G273 N279 I280 L281L193-L277 HydrophobicContact CD2-CD2 3.56Å; L193-L277 HydrophobicContact CG-CD2 3.89Å; L194-L277 HydrophobicContact CD1-CB 4.11Å; L194-L277 HydrophobicContact CD1-CD1 3.96Å; W197-L277 HydrophobicContact CB-CD1 3.65Å; W197-L277 HydrophobicContact CG-CD1 3.72Å; V272-L277 HydrophobicContact CG1-CD1 4.38Å; V272-L277 HydrophobicContact CG1-CG 4.43Å; V272-L277 WeakPolarHBondContact O-CG 3.37Å; V272-L277 PolarHBondContact O-N 3.09Å; G273-L277 WeakPolarHBondContact O-CB 3.23Å; L277-N279 PolarHBondContact O-N 3.24Å; L277-I280 PolarHBondContact O-N 3.38Å; L277-L281 WeakPolarHBondContact O-CB 3.3Å; L277-L281 PolarHBondContact O-N 2.89Å
278L91.1Very high90.8Very high29 Ų2948.2 Ų48.215%0.15227%0.27CS..Iπ-helixtrans-67.7-32.4179.3-68.5179.6000113.1L194 L243 G273 L274 L281 T282L194-L278 HydrophobicContact CD2-CD2 4.15Å; L243-L278 HydrophobicContact CD1-CD1 4.38Å; L243-L278 HydrophobicContact CG-CD1 4.12Å; G273-L278 PolarHBondContact O-N 2.67Å; L274-L278 HydrophobicContact CD1-CD1 3.88Å; L274-L278 WeakPolarHBondContact O-CB 3.26Å; L278-L281 HydrophobicContact CD2-CD2 4.22Å; L278-L281 WeakPolarHBondContact O-CB 3.41Å; L278-L281 PolarHBondContact O-N 2.97Å; L278-T282 PolarHBondContact O-N 3.02Å; L278-T282 VanDerWaalsContact O-N 3.11Å; L278-T282 PolarHBondContact O-OG1 3.3Å
279N91.5Very high90Very high91 Ų9144.8 Ų44.849%0.48725%0.248SC..Hα-helixtrans-73.4-38.8175-74.9-27.7000112.5Y275 V276 L277 L281 T282 A283Y275-N279 WeakPolarHBondContact O-CB 3.31Å; Y275-N279 PolarHBondContact O-ND2 2.96Å; V276-N279 PolarHBondContact O-N 2.86Å; L277-N279 PolarHBondContact O-N 3.24Å; N279-L281 VanDerWaalsContact C-N 3.27Å; N279-L281 PolarHBondContact O-N 3.32Å; N279-T282 PolarHBondContact O-N 2.91Å; N279-A283 WeakPolarHBondContact O-CB 3.32Å; N279-A283 PolarHBondContact O-N 2.87Å
280I91.8Very high89.3Confident81 Ų8146.1 Ų46.142%0.41526%0.259SS..Hα-helixtrans-60.1-41.1171.4-71.8169.1000110.3L190 V276 L277 T282 A283 A284L190-I280 HydrophobicContact CD2-CG2 3.95Å; V276-I280 HydrophobicContact CG1-CD1 3.61Å; V276-I280 WeakPolarHBondContact O-CB 3.32Å; V276-I280 WeakPolarHBondContact O-CG1 3.42Å; V276-I280 PolarHBondContact O-N 2.91Å; L277-I280 PolarHBondContact O-N 3.38Å; I280-T282 VanDerWaalsContact C-N 3.34Å; I280-T282 PolarHBondContact O-N 3.39Å; I280-A283 PolarHBondContact O-N 2.86Å; I280-A284 WeakPolarHBondContact O-CB 3.46Å; I280-A284 PolarHBondContact O-N 2.94Å
281L87.8Confident88.5Confident4 Ų447.3 Ų47.32%0.02128%0.276CS..Hα-helixtrans-57.8-46.9175.6-172.763.5000111.7L187 L190 L277 L278 N279 A284 V285 V648L187-L281 HydrophobicContact CD2-CD1 3.48Å; L187-L281 VanDerWaalsContact CD2-CD1 3.48Å; L187-L281 HydrophobicContact CD2-CG 4.27Å; L190-L281 HydrophobicContact CB-CD1 3.62Å; L190-L281 HydrophobicContact CD1-CD1 3.86Å; L190-L281 HydrophobicContact CG-CD1 4.4Å; L277-L281 WeakPolarHBondContact O-CB 3.3Å; L277-L281 PolarHBondContact O-N 2.89Å; L278-L281 HydrophobicContact CD2-CD2 4.22Å; L278-L281 WeakPolarHBondContact O-CB 3.41Å; L278-L281 PolarHBondContact O-N 2.97Å; N279-L281 VanDerWaalsContact C-N 3.27Å; N279-L281 PolarHBondContact O-N 3.32Å; L281-A284 PolarHBondContact O-N 3.41Å; L281-V285 WeakPolarHBondContact O-CG2 3.38Å; L281-V285 PolarHBondContact O-N 3.43Å; L281-V285 VanDerWaalsContact O-N 3.12Å; L281-V648 HydrophobicContact CD2-CG1 3.43Å; L281-V648 VanDerWaalsContact CD2-CG1 3.43Å; L281-V648 HydrophobicContact CD2-CG2 4.49Å; L281-V648 HydrophobicContact CG-CG1 4.17Å
282T87.6Confident87.7Confident41 Ų4147.5 Ų47.525%0.25227%0.269SS..Hα-helixtrans-62.3-44.1176.5-54.50000111.6L278 N279 I280 A284 V285 Y286 N652L278-T282 PolarHBondContact O-N 3.02Å; L278-T282 VanDerWaalsContact O-N 3.11Å; L278-T282 PolarHBondContact O-OG1 3.3Å; N279-T282 PolarHBondContact O-N 2.91Å; I280-T282 VanDerWaalsContact C-N 3.34Å; I280-T282 PolarHBondContact O-N 3.39Å; T282-A284 PolarHBondContact O-N 2.96Å; T282-V285 PolarHBondContact O-N 3.42Å; T282-Y286 PolarHBondContact O-N 3.08Å; T282-N652 PolarHBondContact OG1-OD1 3.01Å
283A89.8Confident86.6Confident58 Ų5845.7 Ų45.748%0.47926%0.258SS..Hα-helixtrans-64.7-38.517800000112.9N279 I280 Y286 S287N279-A283 WeakPolarHBondContact O-CB 3.32Å; N279-A283 PolarHBondContact O-N 2.87Å; I280-A283 PolarHBondContact O-N 2.86Å; A283-Y286 WeakPolarHBondContact O-CB 3.38Å; A283-Y286 PolarHBondContact O-N 2.93Å; A283-S287 PolarHBondContact O-N 3.34Å
284A87.5Confident85.7Confident21 Ų2147.9 Ų47.917%0.17427%0.268CS..Hα-helixtrans-65.2-41.9176.700000111.9T186 L190 I280 L281 T282 Y286 S287 Q288T186-A284 HydrophobicContact CG2-CB 4.05Å; L190-A284 HydrophobicContact CD1-CB 3.4Å; L190-A284 VanDerWaalsContact CD1-CB 3.4Å; I280-A284 WeakPolarHBondContact O-CB 3.46Å; I280-A284 PolarHBondContact O-N 2.94Å; L281-A284 PolarHBondContact O-N 3.41Å; T282-A284 PolarHBondContact O-N 2.96Å; A284-Y286 VanDerWaalsContact C-N 3.34Å; A284-S287 PolarHBondContact O-N 2.95Å; A284-Q288 WeakPolarHBondContact O-CG 3.39Å; A284-Q288 PolarHBondContact O-N 2.95Å
285V84.2Confident85.1Confident3 Ų348.4 Ų48.42%0.01828%0.275CS..Hα-helixtrans-61.3-44.6173.7173.90000110.7T183 L187 L281 T282 Q288 F289 N652 L653T183-V285 HydrophobicContact CG2-CG2 4.16Å; L187-V285 HydrophobicContact CD2-CG2 3.52Å; L187-V285 HydrophobicContact CG-CG2 4.33Å; L281-V285 WeakPolarHBondContact O-CG2 3.38Å; L281-V285 PolarHBondContact O-N 3.43Å; L281-V285 VanDerWaalsContact O-N 3.12Å; T282-V285 PolarHBondContact O-N 3.42Å; V285-Q288 PolarHBondContact O-N 2.76Å; V285-F289 WeakPolarHBondContact O-CB 3.31Å; V285-F289 PolarHBondContact O-N 2.71Å; V285-N652 HydrophobicContact CB-CB 4.33Å; V285-N652 HydrophobicContact CG1-CB 4.11Å; V285-N652 HydrophobicContact CG2-CB 4.39Å; V285-L653 HydrophobicContact CG1-CB 4.41Å; V285-L653 HydrophobicContact CG1-CD1 4.44Å
286Y84.7Confident84.3Confident69 Ų6941.2 Ų41.227%0.27125%0.248SC..Hα-helixtrans-57.5-51.3177.2175.7-95.5000112.5T282 A283 A284 Q288 F289 S290 A656 I659 E660T282-Y286 PolarHBondContact O-N 3.08Å; A283-Y286 WeakPolarHBondContact O-CB 3.38Å; A283-Y286 PolarHBondContact O-N 2.93Å; A284-Y286 VanDerWaalsContact C-N 3.34Å; Y286-Q288 PolarHBondContact O-N 3.48Å; Y286-F289 PolarHBondContact O-N 3.27Å; Y286-S290 WeakPolarHBondContact O-CB 3.44Å; Y286-S290 PolarHBondContact O-N 2.8Å; Y286-A656 HydrophobicContact CD2-CB 3.68Å; Y286-A656 HydrophobicContact CG-CB 4.37Å; Y286-I659 HydrophobicContact CE2-CB 4.07Å; Y286-I659 HydrophobicContact CE2-CG2 3.7Å; Y286-E660 PolarHBondContact OH-OE2 3.44Å
287S85.6Confident83.3Confident76 Ų7637.9 Ų37.953%0.53123%0.228SC..Hα-helixtrans-59.1-45.3-178.3177.90000112.3A283 A284 G291A283-S287 PolarHBondContact O-N 3.34Å; A284-S287 PolarHBondContact O-N 2.95Å; S287-G291 PolarHBondContact O-N 3.27Å
288Q84Confident82.8Confident66 Ų6640.6 Ų40.631%0.30824%0.24SC..Hα-helixtrans-67-39.5178.1-66.5-60.8-27.100112.3T183 A284 V285 Y286 Y292T183-Q288 HydrophobicContact CG2-CB 4.09Å; T183-Q288 HydrophobicContact CG2-CG 4.34Å; A284-Q288 WeakPolarHBondContact O-CG 3.39Å; A284-Q288 PolarHBondContact O-N 2.95Å; V285-Q288 PolarHBondContact O-N 2.76Å; Y286-Q288 PolarHBondContact O-N 3.48Å; Q288-Y292 WeakPolarHBondContact O-CB 3.16Å; Q288-Y292 PolarHBondContact O-N 3.3Å
289F80Confident82.4Confident4 Ų441.8 Ų41.82%0.01825%0.248CC..Hα-helixtrans-67.1-46.8179177.9-104.7000112.3V285 Y286 G291 Y292 L293 L653 A656 F657V285-F289 WeakPolarHBondContact O-CB 3.31Å; V285-F289 PolarHBondContact O-N 2.71Å; Y286-F289 PolarHBondContact O-N 3.27Å; F289-G291 VanDerWaalsContact C-N 3.34Å; F289-G291 PolarHBondContact O-N 2.77Å; F289-Y292 WeakPolarHBondContact O-CB 3.4Å; F289-Y292 PolarHBondContact O-N 2.94Å; F289-Y292 VanDerWaalsContact O-N 3.12Å; F289-L293 HydrophobicContact CE1-CB 4.43Å; F289-L293 HydrophobicContact CE1-CD2 3.91Å; F289-L293 HydrophobicContact CZ-CB 4.3Å; F289-L293 HydrophobicContact CZ-CD1 4.34Å; F289-L293 HydrophobicContact CZ-CD2 4.03Å; F289-L293 HydrophobicContact CZ-CG 4.47Å; F289-L293 WeakPolarHBondContact O-CB 3.45Å; F289-L293 PolarHBondContact O-N 3.49Å; F289-L653 HydrophobicContact CB-CD1 3.84Å; F289-L653 HydrophobicContact CD2-CD1 3.28Å; F289-L653 HydrophobicContact CD2-CG 4.32Å; F289-L653 HydrophobicContact CE2-CD1 4.04Å; F289-L653 HydrophobicContact CG-CD1 3.64Å; F289-A656 HydrophobicContact CB-CB 4.41Å; F289-A656 HydrophobicContact CD1-CB 4.04Å; F289-A656 HydrophobicContact CG-CB 4.48Å; F289-F657 HydrophobicContact CE1-CB 4Å; F289-F657 AromaticContact CE1-CD2 3.88Å; F289-F657 HydrophobicContact CE1-CD2 3.88Å; F289-F657 HydrophobicContact CE1-CG 4.36Å; F289-F657 HydrophobicContact CZ-CB 4.29Å; F289-F657 AromaticContact CZ-CD2 3.52Å; F289-F657 HydrophobicContact CZ-CD2 3.52Å; F289-F657 HydrophobicContact CZ-CE2 4.3Å; F289-F657 HydrophobicContact CZ-CG 4.37Å
290S79.1Confident81.9Confident32 Ų3238.9 Ų38.922%0.22423%0.231CC..Hα-helixtrans-59.7-44.8179.2-173.60000111.1Y286 Y292 L293 M294 E660Y286-S290 WeakPolarHBondContact O-CB 3.44Å; Y286-S290 PolarHBondContact O-N 2.8Å; S290-Y292 VanDerWaalsContact C-N 3.35Å; S290-Y292 PolarHBondContact O-N 3.34Å; S290-L293 PolarHBondContact O-N 3.33Å; S290-M294 PolarHBondContact O-N 2.97Å; S290-M294 VanDerWaalsContact O-N 3.16Å; S290-E660 WeakPolarHBondContact CB-OE2 3.25Å; S290-E660 PolarHBondContact OG-OE2 3.46Å
291G78.6Confident81.5Confident46 Ų4635.7 Ų35.747%0.47421%0.214SC..Hα-helixtrans-61.3-38.817400000113.6S287 F289 S295S287-G291 PolarHBondContact O-N 3.27Å; F289-G291 VanDerWaalsContact C-N 3.34Å; F289-G291 PolarHBondContact O-N 2.77Å; G291-S295 PolarHBondContact O-N 3.42Å
292Y77.2Confident81.4Confident29 Ų2937.3 Ų37.311%0.11422%0.223CC..Hα-helixtrans-67.3-43.1175.6177.6-93.9000112.8K175 C179 Q288 F289 S290 M294 S295 S296K175-Y292 VanDerWaalsContact C-OH 3.3Å; K175-Y292 WeakPolarHBondContact CA-OH 3.5Å; K175-Y292 HydrophobicContact CB-CE1 4.33Å; K175-Y292 WeakPolarHBondContact CB-OH 3.27Å; K175-Y292 WeakPolarHBondContact CG-OH 3.48Å; K175-Y292 VanDerWaalsContact O-CZ 3.3Å; K175-Y292 PolarHBondContact O-OH 3.33Å; C179-Y292 HydrophobicContact CB-CD1 3.51Å; C179-Y292 HydrophobicContact CB-CD2 3.96Å; C179-Y292 HydrophobicContact CB-CE1 3.69Å; C179-Y292 HydrophobicContact CB-CE2 4.12Å; C179-Y292 HydrophobicContact CB-CG 3.67Å; C179-Y292 VanDerWaalsContact SG-CB 3.55Å; C179-Y292 VanDerWaalsContact SG-CD1 3.59Å; Q288-Y292 WeakPolarHBondContact O-CB 3.16Å; Q288-Y292 PolarHBondContact O-N 3.3Å; F289-Y292 WeakPolarHBondContact O-CB 3.4Å; F289-Y292 PolarHBondContact O-N 2.94Å; F289-Y292 VanDerWaalsContact O-N 3.12Å; S290-Y292 VanDerWaalsContact C-N 3.35Å; S290-Y292 PolarHBondContact O-N 3.34Å; Y292-M294 VanDerWaalsContact C-N 3.32Å; Y292-M294 PolarHBondContact O-N 3.48Å; Y292-S295 PolarHBondContact O-N 2.98Å; Y292-S296 WeakPolarHBondContact O-CB 3.34Å; Y292-S296 PolarHBondContact O-N 2.93Å
293L73.1Confident81.4Confident16 Ų1639 Ų398%0.08422%0.224CC..Hα-helixtrans-61.4-43.4-178.2-172.660.2000110.8F289 S290 S295 S296 V297 E660 L745 F749F289-L293 HydrophobicContact CE1-CB 4.43Å; F289-L293 HydrophobicContact CE1-CD2 3.91Å; F289-L293 HydrophobicContact CZ-CB 4.3Å; F289-L293 HydrophobicContact CZ-CD1 4.34Å; F289-L293 HydrophobicContact CZ-CD2 4.03Å; F289-L293 HydrophobicContact CZ-CG 4.47Å; F289-L293 WeakPolarHBondContact O-CB 3.45Å; F289-L293 PolarHBondContact O-N 3.49Å; S290-L293 PolarHBondContact O-N 3.33Å; L293-S295 PolarHBondContact O-N 2.85Å; L293-S296 WeakPolarHBondContact O-CB 3.32Å; L293-S296 PolarHBondContact O-N 3.28Å; L293-V297 WeakPolarHBondContact O-CG2 3.43Å; L293-V297 PolarHBondContact O-N 3.46Å; L293-V297 VanDerWaalsContact O-N 3.09Å; L293-E660 HydrophobicContact CD2-CG 4.13Å; L293-L745 HydrophobicContact CD1-CD2 4.47Å; L293-F749 HydrophobicContact CB-CZ 4.35Å; L293-F749 HydrophobicContact CD1-CE2 4.31Å; L293-F749 HydrophobicContact CD1-CZ 4.32Å; L293-F749 HydrophobicContact CD2-CE1 4.24Å; L293-F749 HydrophobicContact CD2-CE2 3.95Å; L293-F749 HydrophobicContact CD2-CZ 3.31Å; L293-F749 HydrophobicContact CG-CE1 4.08Å; L293-F749 HydrophobicContact CG-CE2 3.79Å; L293-F749 HydrophobicContact CG-CZ 3.34Å
294M74.8Confident81.3Confident45 Ų4536.5 Ų36.522%0.22220%0.202CC..Hα-helixtrans-56-51.9172.9-175.662.677.800112.1S290 Y292 S296 V297 Q298 F749 K752S290-M294 PolarHBondContact O-N 2.97Å; S290-M294 VanDerWaalsContact O-N 3.16Å; Y292-M294 VanDerWaalsContact C-N 3.32Å; Y292-M294 PolarHBondContact O-N 3.48Å; M294-S296 VanDerWaalsContact C-N 3.3Å; M294-S296 PolarHBondContact O-N 3.36Å; M294-V297 PolarHBondContact O-N 3.39Å; M294-Q298 WeakPolarHBondContact O-CG 3.33Å; M294-Q298 PolarHBondContact O-N 2.85Å; M294-F749 HydrophobicContact CE-CD1 4.14Å; M294-F749 HydrophobicContact SD-CD1 4.04Å; M294-K752 HydrophobicContact CE-CB 3.48Å; M294-K752 VanDerWaalsContact CE-CB 3.48Å; M294-K752 HydrophobicContact CE-CD 3.55Å; M294-K752 HydrophobicContact CE-CG 4.15Å; M294-K752 HydrophobicContact SD-CB 4.16Å
295S78.5Confident81.4Confident49 Ų4936 Ų3634%0.34320%0.196SC..Hα-helixtrans-61.6-37.4178.7177.40000112.5G291 Y292 L293 V297 T299G291-S295 PolarHBondContact O-N 3.42Å; Y292-S295 PolarHBondContact O-N 2.98Å; L293-S295 PolarHBondContact O-N 2.85Å; S295-V297 VanDerWaalsContact C-N 3.32Å; S295-V297 PolarHBondContact O-N 3.15Å; S295-T299 PolarHBondContact O-N 3.15Å; S295-T299 PolarHBondContact O-OG1 3.39Å
296S76.3Confident81.8Confident10 Ų1036.1 Ų36.17%0.0720%0.197CC..Hα-helixtrans-64.2-37177.5173.30000112.3K175 Y292 L293 M294 T299 R300K175-S296 PolarHBondContact NZ-O 3.31Å; K175-S296 PolarHBondContact NZ-OG 2.96Å; Y292-S296 WeakPolarHBondContact O-CB 3.34Å; Y292-S296 PolarHBondContact O-N 2.93Å; L293-S296 WeakPolarHBondContact O-CB 3.32Å; L293-S296 PolarHBondContact O-N 3.28Å; M294-S296 VanDerWaalsContact C-N 3.3Å; M294-S296 PolarHBondContact O-N 3.36Å; S296-T299 PolarHBondContact O-N 3.47Å; S296-R300 PolarHBondContact O-N 3.49Å
297V74.2Confident82.1Confident0 Ų032.9 Ų32.90%018%0.184CC..Hα-helixtrans-78.5-38.2-178.9-174.30000110.8L293 M294 S295 T299 R300 L301 L745 F749 L753L293-V297 WeakPolarHBondContact O-CG2 3.43Å; L293-V297 PolarHBondContact O-N 3.46Å; L293-V297 VanDerWaalsContact O-N 3.09Å; M294-V297 PolarHBondContact O-N 3.39Å; S295-V297 VanDerWaalsContact C-N 3.32Å; S295-V297 PolarHBondContact O-N 3.15Å; V297-T299 VanDerWaalsContact C-N 3.27Å; V297-T299 PolarHBondContact O-N 3.25Å; V297-R300 WeakPolarHBondContact O-CB 3.41Å; V297-R300 PolarHBondContact O-N 3.3Å; V297-L301 PolarHBondContact O-N 3.26Å; V297-L745 HydrophobicContact CG2-CD2 4.32Å; V297-F749 HydrophobicContact CB-CB 3.94Å; V297-F749 HydrophobicContact CB-CD2 3.9Å; V297-F749 HydrophobicContact CB-CG 3.87Å; V297-F749 HydrophobicContact CG1-CB 3.55Å; V297-F749 HydrophobicContact CG1-CD2 3.95Å; V297-F749 HydrophobicContact CG1-CG 3.95Å; V297-F749 HydrophobicContact CG2-CB 4.22Å; V297-F749 HydrophobicContact CG2-CD1 4.38Å; V297-F749 HydrophobicContact CG2-CD2 3.19Å; V297-F749 HydrophobicContact CG2-CE2 3.67Å; V297-F749 HydrophobicContact CG2-CG 3.63Å; V297-F749 HydrophobicContact CG2-CZ 4.48Å; V297-L753 HydrophobicContact CB-CD2 4.15Å; V297-L753 HydrophobicContact CG1-CD1 3.66Å; V297-L753 HydrophobicContact CG1-CD2 3.9Å; V297-L753 HydrophobicContact CG1-CG 4.34Å
298Q81.7Confident82.3Confident82 Ų8229.3 Ų29.338%0.38316%0.159SC..Hα-helixtrans-54.8-43.9167.3-72176.8-17.100111.9M294 R300 L301 M302 L753M294-Q298 WeakPolarHBondContact O-CG 3.33Å; M294-Q298 PolarHBondContact O-N 2.85Å; Q298-R300 VanDerWaalsContact C-N 3.28Å; Q298-R300 PolarHBondContact O-N 3Å; Q298-L301 PolarHBondContact O-N 2.99Å; Q298-M302 WeakPolarHBondContact O-CB 3.43Å; Q298-M302 PolarHBondContact O-N 2.98Å; Q298-L753 HydrophobicContact CB-CD2 4.26Å; Q298-L753 HydrophobicContact CG-CD2 3.54Å
299T81.7Confident82.7Confident54 Ų5426.8 Ų26.833%0.33115%0.147SC..Hα-helixtrans-62.6-34.6177.3-54.40000112.2S295 S296 V297 R303S295-T299 PolarHBondContact O-N 3.15Å; S295-T299 PolarHBondContact O-OG1 3.39Å; S296-T299 PolarHBondContact O-N 3.47Å; V297-T299 VanDerWaalsContact C-N 3.27Å; V297-T299 PolarHBondContact O-N 3.25Å; T299-R303 VanDerWaalsContact O-CG 3.32Å; T299-R303 WeakPolarHBondContact O-CG 3.44Å; T299-R303 PolarHBondContact O-N 3.25Å
300R81.8Confident83.2Confident30 Ų3026.6 Ų26.611%0.11315%0.146CC..Hα-helixtrans-68.9-46.9177.4-78.5179.4168.9-172.7-3.1111.6Y30 S296 V297 Q298 M302 R303 R304 D746Y30-R300 HydrophobicContact CD1-CB 3.67Å; Y30-R300 HydrophobicContact CD1-CG 4.19Å; Y30-R300 WeakPolarHBondContact CD1-O 3.43Å; Y30-R300 HydrophobicContact CE1-CB 3.99Å; Y30-R300 HydrophobicContact CG-CB 4.21Å; Y30-R300 HydrophobicContact CG-CG 4.22Å; S296-R300 PolarHBondContact O-N 3.49Å; V297-R300 WeakPolarHBondContact O-CB 3.41Å; V297-R300 PolarHBondContact O-N 3.3Å; Q298-R300 VanDerWaalsContact C-N 3.28Å; Q298-R300 PolarHBondContact O-N 3Å; R300-M302 VanDerWaalsContact C-N 3.29Å; R300-M302 PolarHBondContact O-N 3.26Å; R300-R303 PolarHBondContact O-N 2.9Å; R300-R304 PolarHBondContact O-N 2.98Å; R300-D746 VanDerWaalsContact CD-OD1 3.3Å; R300-D746 WeakPolarHBondContact CD-OD1 3.48Å; R300-D746 IonicContact CZ-OD1 2.96Å; R300-D746 IonicContact NH1-OD1 3.76Å; R300-D746 PolarHBondContact NH1-OD1 2.76Å; R300-D746 IonicContact NH1-OD2 2.66Å
301L82.7Confident83.7Confident14 Ų1425.1 Ų25.17%0.07314%0.136CC..Hα-helixtrans-57.6-46.2173.7-73.6-169.4000111.2V297 Q298 R303 R304 R305 L753V297-L301 PolarHBondContact O-N 3.26Å; Q298-L301 PolarHBondContact O-N 2.99Å; L301-R303 PolarHBondContact O-N 2.72Å; L301-R304 WeakPolarHBondContact O-CB 3.33Å; L301-R304 PolarHBondContact O-N 3.07Å; L301-R304 VanDerWaalsContact O-N 3.15Å; L301-R305 WeakPolarHBondContact O-CG 3.48Å; L301-R305 PolarHBondContact O-N 2.87Å; L301-L753 HydrophobicContact CD1-CB 3.55Å; L301-L753 HydrophobicContact CD1-CD1 3.31Å; L301-L753 HydrophobicContact CD1-CD2 3.98Å; L301-L753 HydrophobicContact CD1-CG 3.76Å; L301-L753 HydrophobicContact CD2-CD1 4.47Å; L301-L753 HydrophobicContact CG-CD1 3.87Å
302M86.6Confident84.4Confident39 Ų3922.9 Ų22.919%0.19211%0.113CC..Hα-helixtrans-54.7-50.7177.1-178.558.3176.300111.7Q298 R300 R304 R305 V306 P756 S760 I761 E764Q298-M302 WeakPolarHBondContact O-CB 3.43Å; Q298-M302 PolarHBondContact O-N 2.98Å; R300-M302 VanDerWaalsContact C-N 3.29Å; R300-M302 PolarHBondContact O-N 3.26Å; M302-R304 VanDerWaalsContact C-N 3.3Å; M302-R304 PolarHBondContact O-N 3.36Å; M302-R305 PolarHBondContact O-N 2.86Å; M302-V306 HydrophobicContact CE-CG2 3.66Å; M302-V306 HydrophobicContact CG-CG2 4.31Å; M302-V306 WeakPolarHBondContact O-CB 3.38Å; M302-V306 VanDerWaalsContact O-CG2 3.27Å; M302-V306 WeakPolarHBondContact O-CG2 3.22Å; M302-V306 PolarHBondContact O-N 3.21Å; M302-V306 HydrophobicContact SD-CG2 4.01Å; M302-P756 HydrophobicContact SD-CB 3.53Å; M302-P756 VanDerWaalsContact SD-CB 3.53Å; M302-P756 HydrophobicContact SD-CG 3.95Å; M302-S760 VanDerWaalsContact CE-O 3.24Å; M302-S760 WeakPolarHBondContact CE-O 3.3Å; M302-I761 HydrophobicContact CE-CG1 4.34Å; M302-I761 HydrophobicContact SD-CG1 4.18Å; M302-E764 HydrophobicContact CE-CB 4.03Å
303R87.3Confident84.9Confident75 Ų7522.5 Ų22.528%0.28311%0.112SC..Hα-helixtrans-58-41.5177.6-74174.4-174.8-171.4-3.3113Y30 T299 R300 L301 A307Y30-R303 WeakPolarHBondContact O-CD 3.46Å; Y30-R303 PolarHBondContact O-NH1 3.18Å; T299-R303 VanDerWaalsContact O-CG 3.32Å; T299-R303 WeakPolarHBondContact O-CG 3.44Å; T299-R303 PolarHBondContact O-N 3.25Å; R300-R303 PolarHBondContact O-N 2.9Å; L301-R303 PolarHBondContact O-N 2.72Å; R303-A307 VanDerWaalsContact O-CB 3.3Å; R303-A307 WeakPolarHBondContact O-CB 3.49Å; R303-A307 PolarHBondContact O-N 3.19Å
304R89Confident85.6Confident7 Ų722.7 Ų22.73%0.02611%0.114CC..Hα-helixtrans-62.2-48.8176.9176.9171.9-72.4-175.7-8.8111A27 E28 Y30 R300 L301 M302 A307 T308 L372 D373A27-R304 HydrophobicContact CB-CG 4.18Å; A27-R304 PolarHBondContact O-NE 2.79Å; E28-R304 PolarHBondContact O-NH2 3.16Å; E28-R304 VanDerWaalsContact O-NH2 3.16Å; E28-R304 IonicContact OE2-NH2 2.83Å; Y30-R304 HydrophobicContact CD1-CB 4.34Å; Y30-R304 HydrophobicContact CE1-CB 4.37Å; Y30-R304 PolarHBondContact OH-NH1 3.14Å; Y30-R304 VanDerWaalsContact OH-NH1 3.12Å; Y30-R304 PolarHBondContact OH-NH2 2.59Å; R300-R304 PolarHBondContact O-N 2.98Å; L301-R304 WeakPolarHBondContact O-CB 3.33Å; L301-R304 PolarHBondContact O-N 3.07Å; L301-R304 VanDerWaalsContact O-N 3.15Å; M302-R304 VanDerWaalsContact C-N 3.3Å; M302-R304 PolarHBondContact O-N 3.36Å; R304-A307 PolarHBondContact O-N 3.47Å; R304-T308 WeakPolarHBondContact O-CG2 3.1Å; R304-T308 PolarHBondContact O-N 2.96Å; R304-T308 PolarHBondContact O-OG1 3.43Å; R304-L372 PolarHBondContact NH1-O 2.74Å; R304-D373 WeakPolarHBondContact CD-OD1 3.27Å; R304-D373 IonicContact CZ-OD1 2.85Å; R304-D373 IonicContact NE-OD1 2.68Å; R304-D373 IonicContact NH1-OD1 3.13Å; R304-D373 PolarHBondContact NH1-OD1 3.42Å
305R89.6Confident86.3Confident9 Ų921 Ų213%0.03411%0.106CC..Hα-helixtrans-63.5-42.4179.5-63.3-64.2-177.6-110.9-1.7112.1L301 M302 T308 R309 D373 E755 P756 I761L301-R305 WeakPolarHBondContact O-CG 3.48Å; L301-R305 PolarHBondContact O-N 2.87Å; M302-R305 PolarHBondContact O-N 2.86Å; R305-T308 WeakPolarHBondContact CA-OG1 3.38Å; R305-T308 PolarHBondContact O-N 3Å; R305-T308 PolarHBondContact O-OG1 3.23Å; R305-R309 WeakPolarHBondContact O-CB 3.41Å; R305-R309 PolarHBondContact O-N 2.92Å; R305-D373 IonicContact CZ-OD2 3.43Å; R305-D373 IonicContact NH1-OD1 3.35Å; R305-D373 IonicContact NH1-OD2 3.59Å; R305-D373 PolarHBondContact NH1-OD2 3.12Å; R305-D373 IonicContact NH2-OD2 3.15Å; R305-D373 PolarHBondContact NH2-OD2 3.22Å; R305-E755 IonicContact CZ-OE1 3.9Å; R305-E755 IonicContact CZ-OE2 3.18Å; R305-E755 IonicContact NE-OE1 2.69Å; R305-E755 IonicContact NE-OE2 3.75Å; R305-E755 PolarHBondContact NE-OE2 3.19Å; R305-E755 IonicContact NH2-OE1 3.01Å; R305-E755 PolarHBondContact NH2-OE1 3.4Å; R305-E755 IonicContact NH2-OE2 3.56Å; R305-P756 HydrophobicContact CB-CG 4.11Å; R305-P756 HydrophobicContact CG-CG 3.9Å; R305-I761 HydrophobicContact CB-CD1 3.92Å; R305-I761 HydrophobicContact CB-CG1 4.37Å
306V90.6Very high86.8Confident7 Ų722 Ų224%0.04210%0.104CC..Hα-helixtrans-59-47.5173.6168.50000111.5I33 M302 R309 A310 I761 E764 I765I33-V306 HydrophobicContact CD1-CG1 3.63Å; I33-V306 HydrophobicContact CG1-CG1 4.18Å; M302-V306 HydrophobicContact CE-CG2 3.66Å; M302-V306 HydrophobicContact CG-CG2 4.31Å; M302-V306 WeakPolarHBondContact O-CB 3.38Å; M302-V306 VanDerWaalsContact O-CG2 3.27Å; M302-V306 WeakPolarHBondContact O-CG2 3.22Å; M302-V306 PolarHBondContact O-N 3.21Å; M302-V306 HydrophobicContact SD-CG2 4.01Å; V306-R309 PolarHBondContact O-N 2.92Å; V306-A310 WeakPolarHBondContact O-CB 3.25Å; V306-A310 PolarHBondContact O-N 2.76Å; V306-I761 HydrophobicContact CG2-CB 4.49Å; V306-I761 HydrophobicContact CG2-CG2 4.01Å; V306-E764 HydrophobicContact CG1-CG 4.33Å; V306-E764 HydrophobicContact CG2-CB 3.99Å; V306-E764 HydrophobicContact CG2-CG 4.11Å; V306-I765 HydrophobicContact CG1-CG1 3.92Å
307A91Very high87.3Confident0 Ų025.3 Ų25.30%012%0.116CC..Hα-helixtrans-65.8-40.5178.700000112.5F23 A27 I33 R303 R304 R309 A310 A311F23-A307 WeakPolarHBondContact O-CB 3.35Å; A27-A307 HydrophobicContact CB-CB 3.69Å; I33-A307 HydrophobicContact CG2-CB 3.88Å; R303-A307 VanDerWaalsContact O-CB 3.3Å; R303-A307 WeakPolarHBondContact O-CB 3.49Å; R303-A307 PolarHBondContact O-N 3.19Å; R304-A307 PolarHBondContact O-N 3.47Å; A307-R309 VanDerWaalsContact C-N 3.35Å; A307-R309 PolarHBondContact O-N 3.35Å; A307-A310 PolarHBondContact O-N 3.11Å; A307-A311 PolarHBondContact O-N 3.29Å
308T90.8Very high87.8Confident2 Ų232.6 Ų32.61%0.01215%0.15CC..Hα-helixtrans-64.7-38.2174.352.10000112.4I24 A27 R304 R305 A311 F312 F365 F369 L372I24-T308 HydrophobicContact CD1-CG2 4.25Å; A27-T308 HydrophobicContact CB-CG2 4Å; R304-T308 WeakPolarHBondContact O-CG2 3.1Å; R304-T308 PolarHBondContact O-N 2.96Å; R304-T308 PolarHBondContact O-OG1 3.43Å; R305-T308 WeakPolarHBondContact CA-OG1 3.38Å; R305-T308 PolarHBondContact O-N 3Å; R305-T308 PolarHBondContact O-OG1 3.23Å; T308-A311 PolarHBondContact O-N 3.14Å; T308-F312 PolarHBondContact O-N 3.31Å; T308-F365 WeakPolarHBondContact O-CE1 3.41Å; T308-F369 HydrophobicContact CG2-CB 3.8Å; T308-F369 HydrophobicContact CG2-CG 4.4Å; T308-L372 HydrophobicContact CG2-CD1 4.42Å
309R91.8Very high87.7Confident13 Ų1335 Ų355%0.04916%0.156CC..Hα-helixtrans-71.3-39.8176.8176.965.5-171.6-158.49.3111.3R305 V306 A307 A311 F312 E313 E323 M366 E758 I761 I765R305-R309 WeakPolarHBondContact O-CB 3.41Å; R305-R309 PolarHBondContact O-N 2.92Å; V306-R309 PolarHBondContact O-N 2.92Å; A307-R309 VanDerWaalsContact C-N 3.35Å; A307-R309 PolarHBondContact O-N 3.35Å; R309-A311 VanDerWaalsContact C-N 3.28Å; R309-A311 PolarHBondContact O-N 3.26Å; R309-F312 WeakPolarHBondContact O-CA 3.34Å; R309-F312 WeakPolarHBondContact O-CB 3.07Å; R309-F312 PolarHBondContact O-N 3.31Å; R309-E313 IonicContact CZ-OE1 3.56Å; R309-E313 IonicContact NE-OE1 2.76Å; R309-E313 PolarHBondContact NE-OE1 3.21Å; R309-E313 IonicContact NH2-OE1 2.79Å; R309-E313 PolarHBondContact NH2-OE1 3.06Å; R309-E313 WeakPolarHBondContact O-CG 3.4Å; R309-E313 PolarHBondContact O-N 3.49Å; R309-E323 IonicContact NH2-OE2 2.73Å; R309-M366 HydrophobicContact CB-SD 4.49Å; R309-E758 IonicContact NH1-OE1 3.46Å; R309-I761 HydrophobicContact CB-CG2 3.75Å; R309-I761 HydrophobicContact CG-CG2 3.98Å; R309-I765 HydrophobicContact CB-CD1 3.71Å; R309-I765 HydrophobicContact CG-CD1 3.33Å
310A90.3Very high87.5Confident0 Ų038.6 Ų38.60%017%0.173CC..Hα-helixtrans-60.9-36.4174.400000112.3F23 I33 V306 A307 F312 E313 V314 F771F23-A310 HydrophobicContact CD2-CB 4.03Å; F23-A310 HydrophobicContact CE2-CB 4.05Å; F23-A310 HydrophobicContact CG-CB 4.31Å; F23-A310 HydrophobicContact CZ-CB 4.36Å; I33-A310 HydrophobicContact CD1-CB 4.12Å; V306-A310 WeakPolarHBondContact O-CB 3.25Å; V306-A310 PolarHBondContact O-N 2.76Å; A307-A310 PolarHBondContact O-N 3.11Å; A310-F312 VanDerWaalsContact C-N 3.33Å; A310-E313 PolarHBondContact O-N 2.79Å; A310-V314 PolarHBondContact O-N 3.05Å; A310-F771 HydrophobicContact CB-CE2 4.31Å; A310-F771 HydrophobicContact CB-CZ 3.99Å
311A91.3Very high87.3Confident0 Ų040 Ų400%020%0.197CC..Hα-helixtrans-63.4-37.7172.600000112.6A20 F23 I24 A307 T308 R309 L315 F365A20-A311 HydrophobicContact CB-CB 4.37Å; F23-A311 HydrophobicContact CB-CB 3.97Å; I24-A311 HydrophobicContact CD1-CB 3.71Å; I24-A311 HydrophobicContact CG1-CB 4.01Å; A307-A311 PolarHBondContact O-N 3.29Å; T308-A311 PolarHBondContact O-N 3.14Å; R309-A311 VanDerWaalsContact C-N 3.28Å; R309-A311 PolarHBondContact O-N 3.26Å; A311-L315 WeakPolarHBondContact O-CG 3.04Å; A311-L315 PolarHBondContact O-N 3.34Å; A311-F365 HydrophobicContact CB-CE1 4.36Å; A311-F365 HydrophobicContact CB-CZ 4.39Å
312F91.3Very high87.2Confident0 Ų044.7 Ų44.70%022%0.22CC..Hα-helixtrans-64.8-46.1172.8175.2-92.1000111.5T308 R309 A310 V314 L315 K316 E323 V325 A362 F365T308-F312 PolarHBondContact O-N 3.31Å; R309-F312 WeakPolarHBondContact O-CA 3.34Å; R309-F312 WeakPolarHBondContact O-CB 3.07Å; R309-F312 PolarHBondContact O-N 3.31Å; A310-F312 VanDerWaalsContact C-N 3.33Å; F312-V314 VanDerWaalsContact C-N 3.26Å; F312-V314 PolarHBondContact O-N 3.48Å; F312-L315 PolarHBondContact O-N 3.34Å; F312-L315 VanDerWaalsContact O-N 3.13Å; F312-K316 HydrophobicContact CE1-CB 4.26Å; F312-K316 HydrophobicContact CZ-CB 4.42Å; F312-K316 PolarHBondContact O-N 3.35Å; F312-E323 HydrophobicContact CE1-CB 4.29Å; F312-E323 HydrophobicContact CZ-CB 4.12Å; F312-V325 HydrophobicContact CD2-CG2 3.5Å; F312-V325 HydrophobicContact CE2-CG2 3.54Å; F312-V325 HydrophobicContact CG-CG2 4.39Å; F312-V325 HydrophobicContact CZ-CG2 4.45Å; F312-A362 HydrophobicContact CD1-CB 4.47Å; F312-A362 HydrophobicContact CE1-CB 3.94Å; F312-A362 HydrophobicContact CE2-CB 4.42Å; F312-A362 HydrophobicContact CZ-CB 3.92Å; F312-A362 VanDerWaalsContact CZ-N 3.27Å; F312-F365 HydrophobicContact CB-CD1 3.81Å; F312-F365 HydrophobicContact CB-CE1 3.99Å; F312-F365 HydrophobicContact CB-CG 4.24Å; F312-F365 HydrophobicContact CD2-CB 3.83Å; F312-F365 HydrophobicContact CD2-CD1 4.3Å; F312-F365 HydrophobicContact CD2-CD2 4.19Å; F312-F365 AromaticContact CD2-CG 3.87Å; F312-F365 HydrophobicContact CD2-CG 3.87Å; F312-F365 HydrophobicContact CE2-CB 4.46Å
313E88.8Confident87.1Confident21 Ų2146.5 Ų46.510%0.09823%0.228CC..Hα-helixtrans-60.3-32.2-179.3-67.8-64156.900113.6R309 A310 K316 F771R309-E313 IonicContact CZ-OE1 3.56Å; R309-E313 IonicContact NE-OE1 2.76Å; R309-E313 PolarHBondContact NE-OE1 3.21Å; R309-E313 IonicContact NH2-OE1 2.79Å; R309-E313 PolarHBondContact NH2-OE1 3.06Å; R309-E313 WeakPolarHBondContact O-CG 3.4Å; R309-E313 PolarHBondContact O-N 3.49Å; A310-E313 PolarHBondContact O-N 2.79Å; E313-K316 WeakPolarHBondContact OE2-CD 3.34Å; E313-K316 WeakPolarHBondContact OE2-CE 3.22Å; E313-K316 IonicContact OE2-NZ 3.88Å; E313-K316 PolarHBondContact OE2-NZ 3.35Å; E313-F771 HydrophobicContact CB-CE1 3.94Å
314V88.5Confident87.2Confident20 Ų2043.9 Ų43.912%0.12122%0.22CC..Hα-helixtrans-77.9-26.9178.2170.90000112.8A16 Q19 F23 A310 F312 F771A16-V314 HydrophobicContact CB-CG1 4Å; Q19-V314 HydrophobicContact CB-CG1 3.95Å; F23-V314 HydrophobicContact CD2-CG2 4.44Å; F23-V314 HydrophobicContact CE2-CG2 3.8Å; A310-V314 PolarHBondContact O-N 3.05Å; F312-V314 VanDerWaalsContact C-N 3.26Å; F312-V314 PolarHBondContact O-N 3.48Å; V314-F771 HydrophobicContact CG2-CE1 4.09Å; V314-F771 HydrophobicContact CG2-CZ 4.05Å
315L89Confident87.2Confident10 Ų1043.6 Ų43.65%0.05222%0.218CC..Hα-helixtrans-99.1-6.1-178.2-63.9177.8000113.6A16 A20 A311 F312 V325 L333A16-L315 HydrophobicContact CB-CD2 4.49Å; A20-L315 HydrophobicContact CB-CD1 3.6Å; A20-L315 HydrophobicContact CB-CD2 3.88Å; A20-L315 HydrophobicContact CB-CG 3.62Å; A311-L315 WeakPolarHBondContact O-CG 3.04Å; A311-L315 PolarHBondContact O-N 3.34Å; F312-L315 PolarHBondContact O-N 3.34Å; F312-L315 VanDerWaalsContact O-N 3.13Å; L315-V325 HydrophobicContact CB-CG1 3.77Å; L315-V325 HydrophobicContact CB-CG2 4.04Å; L315-V325 HydrophobicContact CD1-CG1 4.28Å; L315-L333 HydrophobicContact CD1-CD2 3.96Å
316K89Confident87Confident70 Ų7044.6 Ų44.630%0.30423%0.227SC..  trans-68.9141-174.776.7-177.9-176.9179.20110.5F312 E313 E323 L324F312-K316 HydrophobicContact CE1-CB 4.26Å; F312-K316 HydrophobicContact CZ-CB 4.42Å; F312-K316 PolarHBondContact O-N 3.35Å; E313-K316 WeakPolarHBondContact OE2-CD 3.34Å; E313-K316 WeakPolarHBondContact OE2-CE 3.22Å; E313-K316 IonicContact OE2-NZ 3.88Å; E313-K316 PolarHBondContact OE2-NZ 3.35Å; K316-E323 HydrophobicContact CD-CB 4.46Å; K316-E323 HydrophobicContact CD-CG 4.34Å; K316-E323 IonicContact NZ-OE1 3.22Å; K316-E323 PolarHBondContact NZ-OE1 3.08Å; K316-L324 WeakPolarHBondContact CA-O 3.42Å
317Y87.2Confident86.8Confident79 Ų7944.9 Ų44.931%0.3123%0.229SC..EExtended strand (participates in β ladder)trans-125.4152.8160.969.9-82.1000108.3Y319 L324 N359Y317-Y319 HydrophobicContact CE2-CG 4.46Å; Y317-L324 WeakPolarHBondContact CD1-O 3.49Å; Y317-L324 HydrophobicContact CE1-CB 4.25Å; Y317-L324 WeakPolarHBondContact CE1-O 3.49Å; Y317-L324 PolarHBondContact N-O 2.97Å; Y317-L324 PolarHBondContact O-N 3.37Å; Y317-L324 VanDerWaalsContact O-O 3.14Å; Y317-N359 PolarHBondContact OH-ND2 3.25Å
318E84.3Confident86.6Confident153 Ų15350.9 Ų50.972%0.71526%0.261SS*.EExtended strand (participates in β ladder)trans-92.5125.6179.7-165.3177.6176.600109.9
319Y79.6Confident86.5Confident133 Ų13353.2 Ų53.252%0.52227%0.274SS..EExtended strand (participates in β ladder)trans-136.2119.5174.2-177.1-99.2000110Y317 G321 M322 L324Y317-Y319 HydrophobicContact CE2-CG 4.46Å; Y319-G321 VanDerWaalsContact C-N 3.26Å; Y319-G321 PolarHBondContact O-N 3.04Å; Y319-M322 PolarHBondContact N-O 3.17Å; Y319-M322 PolarHBondContact O-N 3.14Å; Y319-L324 HydrophobicContact CD1-CD1 4.49Å
320N77.3Confident86.3Confident129 Ų12952.6 Ų52.669%0.6927%0.271SS*.THydrogen-bonded Turntrans52.739-176.3-64.4-15.6000113.9M322N320-M322 PolarHBondContact O-N 3.1Å
321G77.3Confident86.2Confident60 Ų6055.3 Ų55.362%0.61929%0.288SS*.THydrogen-bonded Turntrans71.98.3-178.100000114.6Y319Y319-G321 VanDerWaalsContact C-N 3.26Å; Y319-G321 PolarHBondContact O-N 3.04Å
322M80.4Confident86Confident111 Ų11156.2 Ų56.255%0.54730%0.297SS..EExtended strand (participates in β ladder)trans-106.3128.9172.5-64.8-171.1-72.200110Y319 N320 L324Y319-M322 PolarHBondContact N-O 3.17Å; Y319-M322 PolarHBondContact O-N 3.14Å; N320-M322 PolarHBondContact O-N 3.1Å; M322-L324 HydrophobicContact CB-CD1 4.16Å; M322-L324 HydrophobicContact CB-CG 4.18Å; M322-L324 PolarHBondContact O-N 2.8Å
323E85.8Confident86Confident78 Ų7856.2 Ų56.236%0.36430%0.297SS..EExtended strand (participates in β ladder)trans-74.2114.2169.6-59.1-174.7147.300109.4R309 F312 K316R309-E323 IonicContact NH2-OE2 2.73Å; F312-E323 HydrophobicContact CE1-CB 4.29Å; F312-E323 HydrophobicContact CZ-CB 4.12Å; K316-E323 HydrophobicContact CD-CB 4.46Å; K316-E323 HydrophobicContact CD-CG 4.34Å; K316-E323 IonicContact NZ-OE1 3.22Å; K316-E323 PolarHBondContact NZ-OE1 3.08Å
324L88.5Confident86.1Confident20 Ų2055.7 Ų55.711%0.10530%0.295CS..EExtended strand (participates in β ladder)trans-130.4155.8-175.7-70.5166.3000110.5K316 Y317 Y319 M322 N359 N361K316-L324 WeakPolarHBondContact CA-O 3.42Å; Y317-L324 WeakPolarHBondContact CD1-O 3.49Å; Y317-L324 HydrophobicContact CE1-CB 4.25Å; Y317-L324 WeakPolarHBondContact CE1-O 3.49Å; Y317-L324 PolarHBondContact N-O 2.97Å; Y317-L324 PolarHBondContact O-N 3.37Å; Y317-L324 VanDerWaalsContact O-O 3.14Å; Y319-L324 HydrophobicContact CD1-CD1 4.49Å; M322-L324 HydrophobicContact CB-CD1 4.16Å; M322-L324 HydrophobicContact CB-CG 4.18Å; M322-L324 PolarHBondContact O-N 2.8Å; L324-N359 HydrophobicContact CB-CB 4.19Å; L324-N359 HydrophobicContact CD1-CB 4.47Å; L324-N359 HydrophobicContact CD2-CB 4.24Å; L324-N361 HydrophobicContact CD2-CB 4.4Å
325V88Confident86.1Confident0 Ų061.9 Ų61.90%032%0.32CS..EExtended strand (participates in β ladder)trans-116.6137.7170.7-179.70000109.1F312 L315 D329 I330 N359 I360F312-V325 HydrophobicContact CD2-CG2 3.5Å; F312-V325 HydrophobicContact CE2-CG2 3.54Å; F312-V325 HydrophobicContact CG-CG2 4.39Å; F312-V325 HydrophobicContact CZ-CG2 4.45Å; L315-V325 HydrophobicContact CB-CG1 3.77Å; L315-V325 HydrophobicContact CB-CG2 4.04Å; L315-V325 HydrophobicContact CD1-CG1 4.28Å; V325-D329 HydrophobicContact CG1-CB 4.13Å; V325-I330 HydrophobicContact CB-CD1 4.21Å; V325-I330 HydrophobicContact CB-CG1 4.38Å; V325-I330 HydrophobicContact CG1-CD1 4.05Å; V325-I330 HydrophobicContact CG1-CG1 3.68Å; V325-N359 VanDerWaalsContact O-CA 3.3Å; V325-N359 WeakPolarHBondContact O-CA 3.3Å; V325-N359 WeakPolarHBondContact O-CB 3.1Å; V325-I360 PolarHBondContact N-O 2.92Å; V325-I360 VanDerWaalsContact N-O 3.14Å; V325-I360 PolarHBondContact O-N 3.38Å
326S86.8Confident86Confident31 Ų3163.6 Ų63.622%0.21733%0.331CS..  trans-70.6148.3-173.4177.80000110.4D328 D329 I330S326-D328 PolarHBondContact O-N 2.79Å; S326-D328 PolarHBondContact OG-N 3.42Å; S326-D329 WeakPolarHBondContact CB-OD2 3.3Å; S326-D329 PolarHBondContact O-N 3.17Å; S326-I330 WeakPolarHBondContact O-CG1 3.11Å; S326-I330 PolarHBondContact O-N 3.49Å
327S85.8Confident86Confident12 Ų1260.6 Ų60.68%0.08432%0.319CS..Hα-helixtrans-57-41.1174.9-169.10000112.4D329 I330 V331 Y351 H357 N359S327-D329 PolarHBondContact O-N 3.33Å; S327-I330 PolarHBondContact O-N 2.9Å; S327-V331 WeakPolarHBondContact O-CG2 3.32Å; S327-V331 PolarHBondContact O-N 3.45Å; S327-Y351 VanDerWaalsContact CA-OH 3.31Å; S327-Y351 WeakPolarHBondContact CA-OH 3.33Å; S327-Y351 VanDerWaalsContact CB-OH 3.27Å; S327-Y351 WeakPolarHBondContact CB-OH 3.35Å; S327-Y351 PolarHBondContact OG-OH 3.36Å; S327-H357 VanDerWaalsContact CB-O 3.24Å; S327-H357 WeakPolarHBondContact CB-O 3.41Å; S327-H357 PolarHBondContact OG-O 3.25Å; S327-N359 PolarHBondContact N-OD1 3.39Å
328D86.5Confident85.9Confident127 Ų12763.7 Ų63.768%0.67934%0.336SS*.Hα-helixtrans-65.4-39.2-177.1-69.8-28.1000111.7S326 V331 G332S326-D328 PolarHBondContact O-N 2.79Å; S326-D328 PolarHBondContact OG-N 3.42Å; D328-V331 PolarHBondContact O-N 2.78Å; D328-G332 PolarHBondContact O-N 2.75Å
329D88.2Confident85.8Confident51 Ų5157.6 Ų57.627%0.27331%0.308SS..Hα-helixtrans-66.2-38.7176.4-65.4-33.8000111.8V325 S326 S327 G332 L333V325-D329 HydrophobicContact CG1-CB 4.13Å; S326-D329 WeakPolarHBondContact CB-OD2 3.3Å; S326-D329 PolarHBondContact O-N 3.17Å; S327-D329 PolarHBondContact O-N 3.33Å; D329-G332 PolarHBondContact O-N 2.85Å; D329-L333 WeakPolarHBondContact O-CB 3.29Å; D329-L333 PolarHBondContact O-N 2.82Å
330I88.6Confident85.9Confident0 Ų055.8 Ų55.80%031%0.307CS..Hα-helixtrans-68.8-44.4178.5-63.7174.9000110.4V325 S326 S327 G332 L333 I334 Y351 I360 L368V325-I330 HydrophobicContact CB-CD1 4.21Å; V325-I330 HydrophobicContact CB-CG1 4.38Å; V325-I330 HydrophobicContact CG1-CD1 4.05Å; V325-I330 HydrophobicContact CG1-CG1 3.68Å; S326-I330 WeakPolarHBondContact O-CG1 3.11Å; S326-I330 PolarHBondContact O-N 3.49Å; S327-I330 PolarHBondContact O-N 2.9Å; I330-G332 VanDerWaalsContact C-N 3.33Å; I330-L333 PolarHBondContact O-N 2.94Å; I330-I334 HydrophobicContact CG2-CD1 3.92Å; I330-I334 VanDerWaalsContact O-CG1 3.26Å; I330-I334 WeakPolarHBondContact O-CG1 3.43Å; I330-I334 PolarHBondContact O-N 3.34Å; I330-Y351 HydrophobicContact CD1-CE2 4.29Å; I330-Y351 HydrophobicContact CG2-CD1 4.23Å; I330-Y351 HydrophobicContact CG2-CD2 4.13Å; I330-Y351 HydrophobicContact CG2-CE1 4.16Å; I330-Y351 HydrophobicContact CG2-CE2 4.14Å; I330-Y351 HydrophobicContact CG2-CG 4.2Å; I330-I360 HydrophobicContact CD1-CB 3.93Å; I330-I360 HydrophobicContact CD1-CD1 3.44Å; I330-I360 VanDerWaalsContact CD1-CD1 3.44Å; I330-I360 HydrophobicContact CD1-CG1 3.65Å; I330-L368 HydrophobicContact CG2-CD2 4.4Å
331V87.8Confident86.1Confident56 Ų5654.6 Ų54.634%0.33930%0.304SS..Hα-helixtrans-64.3-41.8175.81750000110.5S327 D328 K335 Y351S327-V331 WeakPolarHBondContact O-CG2 3.32Å; S327-V331 PolarHBondContact O-N 3.45Å; D328-V331 PolarHBondContact O-N 2.78Å; V331-K335 VanDerWaalsContact O-CB 3.28Å; V331-K335 WeakPolarHBondContact O-CB 3.42Å; V331-K335 PolarHBondContact O-N 3.21Å; V331-Y351 HydrophobicContact CG2-CD1 4.36Å; V331-Y351 HydrophobicContact CG2-CE1 3.85Å
332G88.2Confident86.2Confident19 Ų1953.5 Ų53.520%0.19628%0.282CS..Hα-helixtrans-59.3-45173.300000112.2D328 D329 I330 K335 T336D328-G332 PolarHBondContact O-N 2.75Å; D329-G332 PolarHBondContact O-N 2.85Å; I330-G332 VanDerWaalsContact C-N 3.33Å; G332-K335 PolarHBondContact O-N 3.41Å; G332-T336 WeakPolarHBondContact O-CB 3.35Å; G332-T336 VanDerWaalsContact O-CG2 3.26Å; G332-T336 WeakPolarHBondContact O-CG2 3.43Å; G332-T336 PolarHBondContact O-N 3.3Å; G332-T336 PolarHBondContact O-OG1 3.41Å
333L91.3Very high86.2Confident0 Ų048.9 Ų48.90%026%0.259CS..Hα-helixtrans-63.9-51.8178.6-179.365.6000110.5L17 A20 R21 I24 L315 D329 I330 K335 T336 V337 F365 F369L17-L333 HydrophobicContact CD1-CB 4.1Å; A20-L333 HydrophobicContact CB-CD1 3.92Å; R21-L333 HydrophobicContact CB-CD1 4.21Å; I24-L333 HydrophobicContact CG1-CD1 4.27Å; I24-L333 HydrophobicContact CG1-CD2 4.09Å; I24-L333 HydrophobicContact CG1-CG 4.46Å; L315-L333 HydrophobicContact CD1-CD2 3.96Å; D329-L333 WeakPolarHBondContact O-CB 3.29Å; D329-L333 PolarHBondContact O-N 2.82Å; I330-L333 PolarHBondContact O-N 2.94Å; L333-K335 PolarHBondContact O-N 2.9Å; L333-T336 PolarHBondContact O-N 2.79Å; L333-T336 VanDerWaalsContact O-N 3.15Å; L333-T336 PolarHBondContact O-OG1 2.93Å; L333-V337 HydrophobicContact CD1-CG2 3.72Å; L333-V337 HydrophobicContact CG-CG2 4.08Å; L333-V337 WeakPolarHBondContact O-CB 3.41Å; L333-V337 WeakPolarHBondContact O-CG2 3.41Å; L333-V337 PolarHBondContact O-N 3.4Å; L333-F365 HydrophobicContact CD2-CE2 4.38Å; L333-F365 HydrophobicContact CD2-CZ 4.06Å; L333-F369 HydrophobicContact CD2-CE2 4.32Å; L333-F369 HydrophobicContact CD2-CZ 3.85Å
334I89.7Confident86.2Confident10 Ų1047.4 Ų47.45%0.05125%0.251CS..Hα-helixtrans-58.2-39.5177.9-66.2167.6000110.4I330 K344 R348I330-I334 HydrophobicContact CG2-CD1 3.92Å; I330-I334 VanDerWaalsContact O-CG1 3.26Å; I330-I334 WeakPolarHBondContact O-CG1 3.43Å; I330-I334 PolarHBondContact O-N 3.34Å; I334-K344 HydrophobicContact CG2-CG 4.06Å; I334-K344 WeakPolarHBondContact O-CE 3.45Å; I334-K344 PolarHBondContact O-NZ 3.32Å; I334-K344 VanDerWaalsContact O-NZ 3.1Å; I334-R348 HydrophobicContact CG2-CB 4.36Å
335K88.8Confident85.9Confident150 Ų15049.5 Ų49.565%0.65226%0.262SS*.Hα-helixtrans-70.6-34.8179.2-171.8179177.7-175.70113.1V331 G332 L333 K344V331-K335 VanDerWaalsContact O-CB 3.28Å; V331-K335 WeakPolarHBondContact O-CB 3.42Å; V331-K335 PolarHBondContact O-N 3.21Å; G332-K335 PolarHBondContact O-N 3.41Å; L333-K335 PolarHBondContact O-N 2.9Å; K335-K344 VanDerWaalsContact C-NZ 3.33Å; K335-K344 PolarHBondContact O-NZ 2.91Å
336T87.8Confident85.6Confident47 Ų4751.6 Ų51.629%0.28828%0.275SS..Hα-helixtrans-89.5-24.4-174.753.50000114.1L17 R21 G332 L333L17-T336 HydrophobicContact CD2-CG2 4.39Å; R21-T336 VanDerWaalsContact CD-O 3.29Å; R21-T336 WeakPolarHBondContact CD-O 3.43Å; G332-T336 WeakPolarHBondContact O-CB 3.35Å; G332-T336 VanDerWaalsContact O-CG2 3.26Å; G332-T336 WeakPolarHBondContact O-CG2 3.43Å; G332-T336 PolarHBondContact O-N 3.3Å; G332-T336 PolarHBondContact O-OG1 3.41Å; L333-T336 PolarHBondContact O-N 2.79Å; L333-T336 VanDerWaalsContact O-N 3.15Å; L333-T336 PolarHBondContact O-OG1 2.93Å
337V88.2Confident85.5Confident7 Ų750.3 Ų50.34%0.04227%0.266CS..  trans-66.4133.8-179.2167.50000112.6R21 I24 E25 L333 I339 K344R21-V337 HydrophobicContact CB-CG2 4.24Å; R21-V337 HydrophobicContact CG-CB 4.47Å; R21-V337 HydrophobicContact CG-CG2 3.83Å; I24-V337 HydrophobicContact CB-CG2 4.1Å; I24-V337 HydrophobicContact CG2-CG1 3.88Å; I24-V337 HydrophobicContact CG2-CG2 4.06Å; E25-V337 HydrophobicContact CG-CG1 4.3Å; L333-V337 HydrophobicContact CD1-CG2 3.72Å; L333-V337 HydrophobicContact CG-CG2 4.08Å; L333-V337 WeakPolarHBondContact O-CB 3.41Å; L333-V337 WeakPolarHBondContact O-CG2 3.41Å; L333-V337 PolarHBondContact O-N 3.4Å; V337-I339 HydrophobicContact CG1-CB 4.27Å; V337-I339 HydrophobicContact CG1-CD1 3.21Å; V337-I339 HydrophobicContact CG1-CG1 3.4Å; V337-I339 PolarHBondContact O-N 2.97Å; V337-K344 PolarHBondContact O-NZ 2.88Å; V337-K344 VanDerWaalsContact O-NZ 3.16Å
338H85Confident85.5Confident144 Ų14454.4 Ų54.467%0.66728%0.279SS*.  trans-88.978.7175.4-63.9-67.3000111.9E25E25-H338 WeakPolarHBondContact OE1-CB 3.39Å; E25-H338 IonicContact OE1-CD2 2.6Å; E25-H338 PolarHBondContact OE1-CD2 3.39Å; E25-H338 VanDerWaalsContact OE1-CD2 3.22Å; E25-H338 IonicContact OE1-CG 3.66Å; E25-H338 PolarHBondContact OE1-N 3.18Å
339I83Confident85.3Confident25 Ų2554.5 Ų54.513%0.12828%0.276CS..  trans-119.5161.9170.4-61.7160.1000109.3I24 E28 V337 T341 K343 L372I24-I339 HydrophobicContact CG2-CD1 3.95Å; E28-I339 HydrophobicContact CG-CG1 4.45Å; V337-I339 HydrophobicContact CG1-CB 4.27Å; V337-I339 HydrophobicContact CG1-CD1 3.21Å; V337-I339 HydrophobicContact CG1-CG1 3.4Å; V337-I339 PolarHBondContact O-N 2.97Å; I339-T341 PolarHBondContact O-N 3.13Å; I339-K343 HydrophobicContact CG2-CB 3.68Å; I339-K343 HydrophobicContact CG2-CD 3.59Å; I339-K343 HydrophobicContact CG2-CG 4.09Å; I339-L372 HydrophobicContact CD1-CD2 3.61Å
340D80.4Confident85.1Confident94 Ų9452.9 Ų52.950%0.50327%0.269SS..  trans-38.2133.4164.8-70.4-9.6000112.9W342 K343 K344D340-W342 VanDerWaalsContact C-N 3.3Å; D340-W342 PolarHBondContact O-N 3.46Å; D340-W342 PolarHBondContact OD2-NE1 3.37Å; D340-K343 HydrophobicContact CB-CG 4.37Å; D340-K343 PolarHBondContact O-N 3.34Å; D340-K343 VanDerWaalsContact O-N 3.11Å; D340-K344 PolarHBondContact O-N 3.23Å; D340-K344 VanDerWaalsContact O-N 3.13Å
341T81.6Confident84.9Confident104 Ų10452.9 Ų52.964%0.63827%0.27SS*.Hα-helixtrans-55.4-42.3-175.746.80000112.8I339 K343 K344 D345I339-T341 PolarHBondContact O-N 3.13Å; T341-K343 PolarHBondContact O-N 3.05Å; T341-K344 WeakPolarHBondContact O-CB 3.36Å; T341-K344 PolarHBondContact O-N 2.93Å; T341-D345 PolarHBondContact O-N 3.47Å
342W79.1Confident84.7Confident38 Ų3854.3 Ų54.314%0.14427%0.271CS..Hα-helixtrans-64.6-38.2-179.976-90.8000112.7D340 T346 L374 G376 P377D340-W342 VanDerWaalsContact C-N 3.3Å; D340-W342 PolarHBondContact O-N 3.46Å; D340-W342 PolarHBondContact OD2-NE1 3.37Å; W342-T346 WeakPolarHBondContact O-CB 3.43Å; W342-T346 PolarHBondContact O-N 2.87Å; W342-T346 PolarHBondContact O-OG1 3.35Å; W342-L374 HydrophobicContact CH2-CB 3.89Å; W342-L374 WeakPolarHBondContact CH2-O 3.2Å; W342-L374 HydrophobicContact CZ3-CB 4.34Å; W342-G376 VanDerWaalsContact CZ2-N 3.32Å; W342-P377 VanDerWaalsContact CD2-CD 3.48Å; W342-P377 HydrophobicContact CD2-CG 4.34Å; W342-P377 HydrophobicContact CE3-CG 4.16Å
343K81.7Confident84.3Confident14 Ų1461 Ų616%0.06130%0.299CS..Hα-helixtrans-66.7-42.5176-69.4-169.3176.7-1750110E28 I339 D340 T341 D345 T346 L347 L372 L374E28-K343 VanDerWaalsContact CD-NZ 3.33Å; E28-K343 IonicContact OE1-NZ 2.69Å; E28-K343 PolarHBondContact OE1-NZ 3.34Å; E28-K343 IonicContact OE2-NZ 3.29Å; E28-K343 PolarHBondContact OE2-NZ 3.1Å; I339-K343 HydrophobicContact CG2-CB 3.68Å; I339-K343 HydrophobicContact CG2-CD 3.59Å; I339-K343 HydrophobicContact CG2-CG 4.09Å; D340-K343 HydrophobicContact CB-CG 4.37Å; D340-K343 PolarHBondContact O-N 3.34Å; D340-K343 VanDerWaalsContact O-N 3.11Å; T341-K343 PolarHBondContact O-N 3.05Å; K343-D345 PolarHBondContact O-N 3.23Å; K343-T346 PolarHBondContact O-N 2.97Å; K343-L347 WeakPolarHBondContact O-CB 3.43Å; K343-L347 VanDerWaalsContact O-CG 3.31Å; K343-L347 WeakPolarHBondContact O-CG 3.49Å; K343-L347 PolarHBondContact O-N 2.93Å; K343-L372 PolarHBondContact NZ-O 3.23Å; K343-L374 WeakPolarHBondContact CE-O 3.32Å
344K85.1Confident83.8Confident46 Ų4668.1 Ų68.120%0.233%0.326CS..Hα-helixtrans-61.3-43.7178.3-174.6173.7-177.2135.70111.9I334 K335 V337 D340 T341 R348I334-K344 HydrophobicContact CG2-CG 4.06Å; I334-K344 WeakPolarHBondContact O-CE 3.45Å; I334-K344 PolarHBondContact O-NZ 3.32Å; I334-K344 VanDerWaalsContact O-NZ 3.1Å; K335-K344 VanDerWaalsContact C-NZ 3.33Å; K335-K344 PolarHBondContact O-NZ 2.91Å; V337-K344 PolarHBondContact O-NZ 2.88Å; V337-K344 VanDerWaalsContact O-NZ 3.16Å; D340-K344 PolarHBondContact O-N 3.23Å; D340-K344 VanDerWaalsContact O-N 3.13Å; T341-K344 WeakPolarHBondContact O-CB 3.36Å; T341-K344 PolarHBondContact O-N 2.93Å; K344-R348 VanDerWaalsContact O-CB 3.26Å; K344-R348 WeakPolarHBondContact O-CB 3.5Å; K344-R348 PolarHBondContact O-N 2.87Å
345D82.7Confident83.2Confident65 Ų6569.4 Ų69.435%0.34833%0.332SS..Hα-helixtrans-66.8-38.8175.4-68-27.6000111.8T341 K343 R348 Q349T341-D345 PolarHBondContact O-N 3.47Å; K343-D345 PolarHBondContact O-N 3.23Å; D345-R348 WeakPolarHBondContact O-CB 3.4Å; D345-R348 PolarHBondContact O-N 3.3Å; D345-R348 IonicContact OD1-NH1 2.83Å; D345-Q349 WeakPolarHBondContact O-CB 3.33Å; D345-Q349 VanDerWaalsContact O-CG 3.28Å; D345-Q349 WeakPolarHBondContact O-CG 3.3Å; D345-Q349 PolarHBondContact O-N 3.19Å
346T81.4Confident82.5Confident44 Ų4466.2 Ų66.227%0.2733%0.333SS..Hα-helixtrans-68.4-43177.2-540000111.8W342 K343 R348 Q349 A350 I371W342-T346 WeakPolarHBondContact O-CB 3.43Å; W342-T346 PolarHBondContact O-N 2.87Å; W342-T346 PolarHBondContact O-OG1 3.35Å; K343-T346 PolarHBondContact O-N 2.97Å; T346-R348 VanDerWaalsContact C-N 3.32Å; T346-R348 PolarHBondContact O-N 3.08Å; T346-Q349 PolarHBondContact O-N 3.27Å; T346-A350 VanDerWaalsContact O-CB 3.22Å; T346-A350 WeakPolarHBondContact O-CB 3.38Å; T346-A350 PolarHBondContact O-N 3.34Å; T346-I371 HydrophobicContact CG2-CD1 4.48Å; T346-I371 HydrophobicContact CG2-CG2 3.93Å
347L84.6Confident81.7Confident4 Ų468.7 Ų68.72%0.02134%0.341CS..Hα-helixtrans-59.5-45.6173.6-80.5165.4000110.6K343 A350 Y351 L368 F369 I371 L372K343-L347 WeakPolarHBondContact O-CB 3.43Å; K343-L347 VanDerWaalsContact O-CG 3.31Å; K343-L347 WeakPolarHBondContact O-CG 3.49Å; K343-L347 PolarHBondContact O-N 2.93Å; L347-A350 PolarHBondContact O-N 3.19Å; L347-Y351 WeakPolarHBondContact O-CB 3.49Å; L347-Y351 PolarHBondContact O-N 3.38Å; L347-L368 HydrophobicContact CD2-CD1 4.47Å; L347-L368 HydrophobicContact CD2-CG 4.25Å; L347-L368 WeakPolarHBondContact CD2-O 3.37Å; L347-F369 HydrophobicContact CD1-CE1 4.34Å; L347-F369 HydrophobicContact CD2-CD1 4.12Å; L347-F369 HydrophobicContact CD2-CE1 4.33Å; L347-I371 HydrophobicContact CD2-CB 3.88Å; L347-I371 HydrophobicContact CD2-CD1 4.1Å; L347-I371 HydrophobicContact CD2-CG2 4.14Å; L347-I371 HydrophobicContact CG-CB 4.33Å; L347-I371 HydrophobicContact CG-CG2 4.01Å; L347-L372 HydrophobicContact CD1-CD2 4.27Å
348R84.7Confident81.3Confident97 Ų9769.8 Ų69.837%0.36636%0.355SS..Hα-helixtrans-57.8-56.4175.5-176.3-177.6-72.9150.2-3110.3I334 K344 D345 T346 A350 Y351 F352I334-R348 HydrophobicContact CG2-CB 4.36Å; K344-R348 VanDerWaalsContact O-CB 3.26Å; K344-R348 WeakPolarHBondContact O-CB 3.5Å; K344-R348 PolarHBondContact O-N 2.87Å; D345-R348 WeakPolarHBondContact O-CB 3.4Å; D345-R348 PolarHBondContact O-N 3.3Å; D345-R348 IonicContact OD1-NH1 2.83Å; T346-R348 VanDerWaalsContact C-N 3.32Å; T346-R348 PolarHBondContact O-N 3.08Å; R348-A350 VanDerWaalsContact C-N 3.35Å; R348-A350 PolarHBondContact O-N 3.47Å; R348-Y351 PolarHBondContact O-N 2.87Å; R348-F352 HydrophobicContact CG-CD2 3.58Å; R348-F352 HydrophobicContact CG-CE2 3.29Å; R348-F352 WeakPolarHBondContact O-CD2 3.2Å; R348-F352 PolarHBondContact O-N 3.4Å
349Q83.4Confident81.4Confident129 Ų12966.1 Ų66.160%0.60334%0.34SS*.Hα-helixtrans-57.8-44.9179.4-73.7172.8500112.3D345 T346 Y351 F352 M353D345-Q349 WeakPolarHBondContact O-CB 3.33Å; D345-Q349 VanDerWaalsContact O-CG 3.28Å; D345-Q349 WeakPolarHBondContact O-CG 3.3Å; D345-Q349 PolarHBondContact O-N 3.19Å; T346-Q349 PolarHBondContact O-N 3.27Å; Q349-Y351 VanDerWaalsContact C-N 3.33Å; Q349-Y351 PolarHBondContact O-N 3.5Å; Q349-F352 PolarHBondContact O-N 3.38Å; Q349-M353 VanDerWaalsContact O-CB 3.29Å; Q349-M353 WeakPolarHBondContact O-CB 3.28Å; Q349-M353 WeakPolarHBondContact O-CG 3.36Å; Q349-M353 PolarHBondContact O-N 2.9Å
350A83.2Confident81.6Confident17 Ų1765 Ų6514%0.1433%0.334CS..Hα-helixtrans-63.7-38.4178.300000112.3T346 L347 R348 R354 L368 I371T346-A350 VanDerWaalsContact O-CB 3.22Å; T346-A350 WeakPolarHBondContact O-CB 3.38Å; T346-A350 PolarHBondContact O-N 3.34Å; L347-A350 PolarHBondContact O-N 3.19Å; R348-A350 VanDerWaalsContact C-N 3.35Å; R348-A350 PolarHBondContact O-N 3.47Å; A350-R354 VanDerWaalsContact O-CB 3.22Å; A350-R354 WeakPolarHBondContact O-CB 3.22Å; A350-R354 VanDerWaalsContact O-CG 3.3Å; A350-R354 WeakPolarHBondContact O-CG 3.5Å; A350-R354 PolarHBondContact O-N 3Å; A350-L368 HydrophobicContact CB-CD1 4.02Å; A350-I371 HydrophobicContact CB-CD1 3.32Å
351Y85Confident82Confident1 Ų163.3 Ų63.30%0.00433%0.325CS..Hα-helixtrans-64.4-50.7175.3177-120.6000111.6S327 I330 V331 L347 R348 Q349 M353 R354 H355 G358 I360 L368S327-Y351 VanDerWaalsContact CA-OH 3.31Å; S327-Y351 WeakPolarHBondContact CA-OH 3.33Å; S327-Y351 VanDerWaalsContact CB-OH 3.27Å; S327-Y351 WeakPolarHBondContact CB-OH 3.35Å; S327-Y351 PolarHBondContact OG-OH 3.36Å; I330-Y351 HydrophobicContact CD1-CE2 4.29Å; I330-Y351 HydrophobicContact CG2-CD1 4.23Å; I330-Y351 HydrophobicContact CG2-CD2 4.13Å; I330-Y351 HydrophobicContact CG2-CE1 4.16Å; I330-Y351 HydrophobicContact CG2-CE2 4.14Å; I330-Y351 HydrophobicContact CG2-CG 4.2Å; V331-Y351 HydrophobicContact CG2-CD1 4.36Å; V331-Y351 HydrophobicContact CG2-CE1 3.85Å; L347-Y351 WeakPolarHBondContact O-CB 3.49Å; L347-Y351 PolarHBondContact O-N 3.38Å; R348-Y351 PolarHBondContact O-N 2.87Å; Q349-Y351 VanDerWaalsContact C-N 3.33Å; Q349-Y351 PolarHBondContact O-N 3.5Å; Y351-M353 PolarHBondContact O-N 3.37Å; Y351-R354 PolarHBondContact O-N 3.44Å; Y351-H355 HydrophobicContact CD2-CB 4.09Å; Y351-H355 HydrophobicContact CE2-CB 3.82Å; Y351-H355 PolarHBondContact O-N 2.86Å; Y351-G358 PolarHBondContact OH-O 2.87Å; Y351-I360 HydrophobicContact CD2-CD1 3.41Å; Y351-I360 VanDerWaalsContact CD2-CD1 3.41Å; Y351-I360 HydrophobicContact CD2-CG1 4.44Å; Y351-I360 HydrophobicContact CE2-CD1 3.2Å; Y351-I360 HydrophobicContact CE2-CG1 3.8Å; Y351-L368 HydrophobicContact CD2-CD2 4.19Å
352F83.5Confident82.2Confident86 Ų8659.2 Ų59.238%0.37730%0.301SS..Hα-helixtrans-59.1-45.7177.8-79.9-77.4000112.1R348 Q349 A356 H357R348-F352 HydrophobicContact CG-CD2 3.58Å; R348-F352 HydrophobicContact CG-CE2 3.29Å; R348-F352 WeakPolarHBondContact O-CD2 3.2Å; R348-F352 PolarHBondContact O-N 3.4Å; Q349-F352 PolarHBondContact O-N 3.38Å; F352-A356 WeakPolarHBondContact O-CA 3.44Å; F352-A356 PolarHBondContact O-N 2.92Å; F352-A356 VanDerWaalsContact O-N 3.14Å; F352-H357 AromaticContact CD1-CE1 3.57Å; F352-H357 AromaticContact CD1-NE2 3.35Å; F352-H357 WeakPolarHBondContact CD1-NE2 3.45Å; F352-H357 AromaticContact CE1-CE1 2.99Å; F352-H357 WeakPolarHBondContact CE1-CE1 3.1Å; F352-H357 AromaticContact CE1-NE2 3.07Å; F352-H357 WeakPolarHBondContact CE1-NE2 3.27Å; F352-H357 AromaticContact CZ-CE1 3.81Å
353M80.8Confident82.6Confident159 Ų15963.9 Ų63.978%0.78332%0.323SS*.Hα-helixtrans-71.4-35.7-177-69.8-68.1-69.300113.4Q349 Y351Q349-M353 VanDerWaalsContact O-CB 3.29Å; Q349-M353 WeakPolarHBondContact O-CB 3.28Å; Q349-M353 WeakPolarHBondContact O-CG 3.36Å; Q349-M353 PolarHBondContact O-N 2.9Å; Y351-M353 PolarHBondContact O-N 3.37Å
354R79.1Confident82.9Confident150 Ų15066.1 Ų66.157%0.56633%0.334SS*.Hα-helixtrans-87.9-32.9-175.6-71.3-179.3173.4-177.3-1.1113.7A350 Y351A350-R354 VanDerWaalsContact O-CB 3.22Å; A350-R354 WeakPolarHBondContact O-CB 3.22Å; A350-R354 VanDerWaalsContact O-CG 3.3Å; A350-R354 WeakPolarHBondContact O-CG 3.5Å; A350-R354 PolarHBondContact O-N 3Å; Y351-R354 PolarHBondContact O-N 3.44Å
355H77.9Confident83.2Confident37 Ų3764 Ų6417%0.17132%0.324CS..Hα-helixtrans-122.8-7.6-167.8-64-69.9000114Y351 H357 G358 I360Y351-H355 HydrophobicContact CD2-CB 4.09Å; Y351-H355 HydrophobicContact CE2-CB 3.82Å; Y351-H355 PolarHBondContact O-N 2.86Å; H355-H357 PolarHBondContact O-N 3.16Å; H355-G358 WeakPolarHBondContact O-CA 3.33Å; H355-G358 PolarHBondContact O-N 3.48Å; H355-I360 HydrophobicContact CB-CG1 4.41Å
356A75.2Confident83.5Confident82 Ų8262.2 Ų62.268%0.67831%0.314SS*.THydrogen-bonded Turntrans46.738.8175.300000114.3F352F352-A356 WeakPolarHBondContact O-CA 3.44Å; F352-A356 PolarHBondContact O-N 2.92Å; F352-A356 VanDerWaalsContact O-N 3.14Å
357H70.4Confident83.7Confident99 Ų9963.7 Ų63.746%0.45832%0.318SS..THydrogen-bonded Turntrans70.815.4-173.1-57.5-84.7000117.3S327 F352 H355S327-H357 VanDerWaalsContact CB-O 3.24Å; S327-H357 WeakPolarHBondContact CB-O 3.41Å; S327-H357 PolarHBondContact OG-O 3.25Å; F352-H357 AromaticContact CD1-CE1 3.57Å; F352-H357 AromaticContact CD1-NE2 3.35Å; F352-H357 WeakPolarHBondContact CD1-NE2 3.45Å; F352-H357 AromaticContact CE1-CE1 2.99Å; F352-H357 WeakPolarHBondContact CE1-CE1 3.1Å; F352-H357 AromaticContact CE1-NE2 3.07Å; F352-H357 WeakPolarHBondContact CE1-NE2 3.27Å; F352-H357 AromaticContact CZ-CE1 3.81Å; H355-H357 PolarHBondContact O-N 3.16Å
358G80.1Confident83.8Confident31 Ų3163.5 Ų63.532%0.3232%0.317SS..  trans-70.9156.8171.700000112.9Y351 H355Y351-G358 PolarHBondContact OH-O 2.87Å; H355-G358 WeakPolarHBondContact O-CA 3.33Å; H355-G358 PolarHBondContact O-N 3.48Å
359N85.5Confident84Confident67 Ų6759 Ų5936%0.35830%0.3SS..  trans-68.5143168.8-55.7-30.7000109.4Y317 L324 V325 S327Y317-N359 PolarHBondContact OH-ND2 3.25Å; L324-N359 HydrophobicContact CB-CB 4.19Å; L324-N359 HydrophobicContact CD1-CB 4.47Å; L324-N359 HydrophobicContact CD2-CB 4.24Å; V325-N359 VanDerWaalsContact O-CA 3.3Å; V325-N359 WeakPolarHBondContact O-CA 3.3Å; V325-N359 WeakPolarHBondContact O-CB 3.1Å; S327-N359 PolarHBondContact N-OD1 3.39Å
360I87.3Confident84Confident0 Ų056.6 Ų56.60%029%0.289CS..EExtended strand (participates in β ladder)trans-112.7138.7-171.3-54.6-178.9000110.6V325 I330 Y351 H355 Q364 F365 L368V325-I360 PolarHBondContact N-O 2.92Å; V325-I360 VanDerWaalsContact N-O 3.14Å; V325-I360 PolarHBondContact O-N 3.38Å; I330-I360 HydrophobicContact CD1-CB 3.93Å; I330-I360 HydrophobicContact CD1-CD1 3.44Å; I330-I360 VanDerWaalsContact CD1-CD1 3.44Å; I330-I360 HydrophobicContact CD1-CG1 3.65Å; Y351-I360 HydrophobicContact CD2-CD1 3.41Å; Y351-I360 VanDerWaalsContact CD2-CD1 3.41Å; Y351-I360 HydrophobicContact CD2-CG1 4.44Å; Y351-I360 HydrophobicContact CE2-CD1 3.2Å; Y351-I360 HydrophobicContact CE2-CG1 3.8Å; H355-I360 HydrophobicContact CB-CG1 4.41Å; I360-Q364 HydrophobicContact CG2-CB 3.15Å; I360-Q364 HydrophobicContact CG2-CG 4.31Å; I360-F365 HydrophobicContact CG2-CB 4.22Å; I360-F365 VanDerWaalsContact CG2-N 3.35Å; I360-L368 HydrophobicContact CD1-CD2 4.14Å
361N89Confident83.8Confident60 Ų6056.6 Ų56.632%0.32129%0.286SS..EExtended strand (participates in β ladder)trans-81.7165.6171.373.522.9000112.8L324 K363 Q364 F365L324-N361 HydrophobicContact CD2-CB 4.4Å; N361-K363 VanDerWaalsContact C-N 3.34Å; N361-K363 PolarHBondContact O-N 3.34Å; N361-K363 PolarHBondContact OD1-N 3.31Å; N361-Q364 PolarHBondContact O-N 3.38Å; N361-Q364 VanDerWaalsContact OD1-CB 3.25Å; N361-Q364 WeakPolarHBondContact OD1-CB 3.45Å; N361-Q364 WeakPolarHBondContact OD1-CG 3.38Å; N361-Q364 PolarHBondContact OD1-N 2.99Å; N361-Q364 PolarHBondContact OD1-OE1 3.39Å; N361-F365 WeakPolarHBondContact O-CB 3.37Å; N361-F365 PolarHBondContact O-N 2.76Å
362A87.2Confident83.6Confident17 Ų1756.7 Ų56.714%0.1429%0.287CS..Hα-helixtrans-34.2-57.117100000116F312 F365 M366F312-A362 HydrophobicContact CD1-CB 4.47Å; F312-A362 HydrophobicContact CE1-CB 3.94Å; F312-A362 HydrophobicContact CE2-CB 4.42Å; F312-A362 HydrophobicContact CZ-CB 3.92Å; F312-A362 VanDerWaalsContact CZ-N 3.27Å; A362-F365 PolarHBondContact O-N 3.02Å; A362-M366 WeakPolarHBondContact O-CG 3.49Å; A362-M366 PolarHBondContact O-N 3.49Å; A362-M366 VanDerWaalsContact O-N 3.07Å
363K87Confident83.2Confident137 Ų13753.3 Ų53.360%0.59627%0.273SS*.Hα-helixtrans-69.3-44.1-172.6-176.1177.7-179.5178.80111.4N361 F365 M366 Q367N361-K363 VanDerWaalsContact C-N 3.34Å; N361-K363 PolarHBondContact O-N 3.34Å; N361-K363 PolarHBondContact OD1-N 3.31Å; K363-F365 VanDerWaalsContact C-N 3.34Å; K363-M366 PolarHBondContact O-N 2.73Å; K363-Q367 WeakPolarHBondContact O-CB 3.34Å; K363-Q367 VanDerWaalsContact O-CG 3.29Å; K363-Q367 WeakPolarHBondContact O-CG 3.31Å; K363-Q367 PolarHBondContact O-N 3.48Å
364Q88.4Confident82.6Confident61 Ų6149.3 Ų49.329%0.28525%0.254SS..Hα-helixtrans-66.4-37.5177.2-70166.8-16.900111I360 N361 Q367 L368I360-Q364 HydrophobicContact CG2-CB 3.15Å; I360-Q364 HydrophobicContact CG2-CG 4.31Å; N361-Q364 PolarHBondContact O-N 3.38Å; N361-Q364 VanDerWaalsContact OD1-CB 3.25Å; N361-Q364 WeakPolarHBondContact OD1-CB 3.45Å; N361-Q364 WeakPolarHBondContact OD1-CG 3.38Å; N361-Q364 PolarHBondContact OD1-N 2.99Å; N361-Q364 PolarHBondContact OD1-OE1 3.39Å; Q364-Q367 PolarHBondContact O-N 3.3Å; Q364-L368 WeakPolarHBondContact O-CB 3.35Å; Q364-L368 PolarHBondContact O-N 2.96Å
365F89.7Confident81.8Confident0 Ų043.5 Ų43.50%024%0.237CC..Hα-helixtrans-62.2-47.2175.3-172.8-86.5000111T308 A311 F312 L333 I360 N361 A362 K363 Q367 L368 F369T308-F365 WeakPolarHBondContact O-CE1 3.41Å; A311-F365 HydrophobicContact CB-CE1 4.36Å; A311-F365 HydrophobicContact CB-CZ 4.39Å; F312-F365 HydrophobicContact CB-CD1 3.81Å; F312-F365 HydrophobicContact CB-CE1 3.99Å; F312-F365 HydrophobicContact CB-CG 4.24Å; F312-F365 HydrophobicContact CD2-CB 3.83Å; F312-F365 HydrophobicContact CD2-CD1 4.3Å; F312-F365 HydrophobicContact CD2-CD2 4.19Å; F312-F365 AromaticContact CD2-CG 3.87Å; F312-F365 HydrophobicContact CD2-CG 3.87Å; F312-F365 HydrophobicContact CE2-CB 4.46Å; L333-F365 HydrophobicContact CD2-CE2 4.38Å; L333-F365 HydrophobicContact CD2-CZ 4.06Å; I360-F365 HydrophobicContact CG2-CB 4.22Å; I360-F365 VanDerWaalsContact CG2-N 3.35Å; N361-F365 WeakPolarHBondContact O-CB 3.37Å; N361-F365 PolarHBondContact O-N 2.76Å; A362-F365 PolarHBondContact O-N 3.02Å; K363-F365 VanDerWaalsContact C-N 3.34Å; F365-Q367 PolarHBondContact O-N 3.45Å; F365-L368 WeakPolarHBondContact O-CB 3.35Å; F365-L368 PolarHBondContact O-N 2.9Å; F365-F369 AromaticContact CD1-CD2 3.85Å; F365-F369 HydrophobicContact CD1-CD2 3.85Å; F365-F369 HydrophobicContact CD1-CE2 4.14Å; F365-F369 HydrophobicContact CD2-CE2 4.18Å; F365-F369 AromaticContact CE1-CD2 3.54Å; F365-F369 HydrophobicContact CE1-CD2 3.54Å; F365-F369 AromaticContact CE1-CE2 3.55Å; F365-F369 HydrophobicContact CE1-CE2 3.55Å; F365-F369 HydrophobicContact CE2-CD2 4.3Å; F365-F369 AromaticContact CE2-CE2 3.62Å; F365-F369 HydrophobicContact CE2-CE2 3.62Å; F365-F369 HydrophobicContact CG-CD2 4.35Å; F365-F369 HydrophobicContact CG-CE2 4.43Å; F365-F369 AromaticContact CZ-CD2 3.81Å; F365-F369 HydrophobicContact CZ-CD2 3.81Å; F365-F369 AromaticContact CZ-CE2 3.28Å; F365-F369 HydrophobicContact CZ-CE2 3.28Å; F365-F369 HydrophobicContact CZ-CZ 4.2Å; F365-F369 WeakPolarHBondContact O-CD2 3.29Å; F365-F369 PolarHBondContact O-N 3.03Å; F365-F369 VanDerWaalsContact O-N 3.15Å
366M89Confident80.8Confident28 Ų2843.1 Ų43.114%0.13824%0.243CC..Hα-helixtrans-61.2-42.7174.7-69.8-171.3-66.100112R309 A362 K363 L368 F369 Q370R309-M366 HydrophobicContact CB-SD 4.49Å; A362-M366 WeakPolarHBondContact O-CG 3.49Å; A362-M366 PolarHBondContact O-N 3.49Å; A362-M366 VanDerWaalsContact O-N 3.07Å; K363-M366 PolarHBondContact O-N 2.73Å; M366-L368 VanDerWaalsContact C-N 3.3Å; M366-L368 PolarHBondContact O-N 2.87Å; M366-F369 PolarHBondContact O-N 3.36Å; M366-Q370 WeakPolarHBondContact O-CG 3.4Å; M366-Q370 PolarHBondContact O-N 3.36Å
367Q86Confident79.7Confident75 Ų7543 Ų4335%0.3524%0.235SC..Hα-helixtrans-64.2-31.7176.4-75.4175.8-12.700113.4K363 Q364 F365K363-Q367 WeakPolarHBondContact O-CB 3.34Å; K363-Q367 VanDerWaalsContact O-CG 3.29Å; K363-Q367 WeakPolarHBondContact O-CG 3.31Å; K363-Q367 PolarHBondContact O-N 3.48Å; Q364-Q367 PolarHBondContact O-N 3.3Å; F365-Q367 PolarHBondContact O-N 3.45Å
368L87.5Confident78.5Confident0 Ų041.3 Ų41.30%023%0.234CC..Hα-helixtrans-66.1-47.7173.9-179.464.5000110.4I330 L347 A350 Y351 I360 Q364 F365 M366 Q370 I371I330-L368 HydrophobicContact CG2-CD2 4.4Å; L347-L368 HydrophobicContact CD2-CD1 4.47Å; L347-L368 HydrophobicContact CD2-CG 4.25Å; L347-L368 WeakPolarHBondContact CD2-O 3.37Å; A350-L368 HydrophobicContact CB-CD1 4.02Å; Y351-L368 HydrophobicContact CD2-CD2 4.19Å; I360-L368 HydrophobicContact CD1-CD2 4.14Å; Q364-L368 WeakPolarHBondContact O-CB 3.35Å; Q364-L368 PolarHBondContact O-N 2.96Å; F365-L368 WeakPolarHBondContact O-CB 3.35Å; F365-L368 PolarHBondContact O-N 2.9Å; M366-L368 VanDerWaalsContact C-N 3.3Å; M366-L368 PolarHBondContact O-N 2.87Å; L368-Q370 VanDerWaalsContact C-N 3.27Å; L368-Q370 PolarHBondContact O-N 3.45Å; L368-I371 HydrophobicContact CD1-CD1 4.35Å; L368-I371 WeakPolarHBondContact O-CB 3.27Å; L368-I371 WeakPolarHBondContact O-CD1 3.29Å; L368-I371 VanDerWaalsContact O-CG1 3.3Å; L368-I371 WeakPolarHBondContact O-CG1 3.38Å; L368-I371 PolarHBondContact O-N 3.43Å
369F87.8Confident76.9Confident3 Ų343.5 Ų43.51%0.01324%0.239CC..Hα-helixtrans-78-3.7179.9-75.3-76.3000114.7I24 T308 L333 L347 F365 M366 I371 L372I24-F369 HydrophobicContact CD1-CD1 3.94Å; I24-F369 HydrophobicContact CD1-CD2 4.25Å; I24-F369 HydrophobicContact CD1-CE1 3.8Å; I24-F369 HydrophobicContact CD1-CE2 4.15Å; I24-F369 HydrophobicContact CD1-CG 4.15Å; I24-F369 HydrophobicContact CD1-CZ 3.91Å; I24-F369 HydrophobicContact CG1-CE1 4.09Å; I24-F369 HydrophobicContact CG1-CZ 4.17Å; I24-F369 HydrophobicContact CG2-CD1 4.23Å; I24-F369 HydrophobicContact CG2-CE1 3.82Å; T308-F369 HydrophobicContact CG2-CB 3.8Å; T308-F369 HydrophobicContact CG2-CG 4.4Å; L333-F369 HydrophobicContact CD2-CE2 4.32Å; L333-F369 HydrophobicContact CD2-CZ 3.85Å; L347-F369 HydrophobicContact CD1-CE1 4.34Å; L347-F369 HydrophobicContact CD2-CD1 4.12Å; L347-F369 HydrophobicContact CD2-CE1 4.33Å; F365-F369 AromaticContact CD1-CD2 3.85Å; F365-F369 HydrophobicContact CD1-CD2 3.85Å; F365-F369 HydrophobicContact CD1-CE2 4.14Å; F365-F369 HydrophobicContact CD2-CE2 4.18Å; F365-F369 AromaticContact CE1-CD2 3.54Å; F365-F369 HydrophobicContact CE1-CD2 3.54Å; F365-F369 AromaticContact CE1-CE2 3.55Å; F365-F369 HydrophobicContact CE1-CE2 3.55Å; F365-F369 HydrophobicContact CE2-CD2 4.3Å; F365-F369 AromaticContact CE2-CE2 3.62Å; F365-F369 HydrophobicContact CE2-CE2 3.62Å; F365-F369 HydrophobicContact CG-CD2 4.35Å; F365-F369 HydrophobicContact CG-CE2 4.43Å; F365-F369 AromaticContact CZ-CD2 3.81Å; F365-F369 HydrophobicContact CZ-CD2 3.81Å; F365-F369 AromaticContact CZ-CE2 3.28Å; F365-F369 HydrophobicContact CZ-CE2 3.28Å; F365-F369 HydrophobicContact CZ-CZ 4.2Å; F365-F369 WeakPolarHBondContact O-CD2 3.29Å; F365-F369 PolarHBondContact O-N 3.03Å; F365-F369 VanDerWaalsContact O-N 3.15Å; M366-F369 PolarHBondContact O-N 3.36Å; F369-I371 PolarHBondContact O-N 2.86Å; F369-I371 VanDerWaalsContact O-N 3.16Å; F369-L372 HydrophobicContact CB-CD1 4.22Å; F369-L372 HydrophobicContact CD1-CD1 3.9Å; F369-L372 HydrophobicContact CD1-CG 4.17Å; F369-L372 VanDerWaalsContact O-CB 3.25Å; F369-L372 WeakPolarHBondContact O-CB 3.3Å; F369-L372 VanDerWaalsContact O-CG 3.23Å; F369-L372 WeakPolarHBondContact O-CG 3.46Å; F369-L372 PolarHBondContact O-N 3.49Å
370Q84.1Confident74.8Confident79 Ų7947.1 Ų47.137%0.36925%0.253SS..G310 helixtrans-59.2-20.1164.3-76.7175.3-7.300112.5M366 L368 L372 D373M366-Q370 WeakPolarHBondContact O-CG 3.4Å; M366-Q370 PolarHBondContact O-N 3.36Å; L368-Q370 VanDerWaalsContact C-N 3.27Å; L368-Q370 PolarHBondContact O-N 3.45Å; Q370-L372 PolarHBondContact O-N 2.62Å; Q370-D373 VanDerWaalsContact O-CB 3.24Å; Q370-D373 WeakPolarHBondContact O-CB 3.44Å; Q370-D373 PolarHBondContact O-N 3.44Å
371I80.2Confident72.7Confident17 Ų1750.3 Ų50.39%0.08728%0.275CS..G310 helixtrans-58.1-26.4172-68.2170.3000111.8T346 L347 A350 L368 F369 D373 L374T346-I371 HydrophobicContact CG2-CD1 4.48Å; T346-I371 HydrophobicContact CG2-CG2 3.93Å; L347-I371 HydrophobicContact CD2-CB 3.88Å; L347-I371 HydrophobicContact CD2-CD1 4.1Å; L347-I371 HydrophobicContact CD2-CG2 4.14Å; L347-I371 HydrophobicContact CG-CB 4.33Å; L347-I371 HydrophobicContact CG-CG2 4.01Å; A350-I371 HydrophobicContact CB-CD1 3.32Å; L368-I371 HydrophobicContact CD1-CD1 4.35Å; L368-I371 WeakPolarHBondContact O-CB 3.27Å; L368-I371 WeakPolarHBondContact O-CD1 3.29Å; L368-I371 VanDerWaalsContact O-CG1 3.3Å; L368-I371 WeakPolarHBondContact O-CG1 3.38Å; L368-I371 PolarHBondContact O-N 3.43Å; F369-I371 PolarHBondContact O-N 2.86Å; F369-I371 VanDerWaalsContact O-N 3.16Å; I371-D373 PolarHBondContact O-N 2.92Å; I371-L374 HydrophobicContact CG2-CD1 4.18Å; I371-L374 WeakPolarHBondContact O-CB 3.45Å; I371-L374 PolarHBondContact O-N 3.48Å
372L79.7Confident70.7Confident2 Ų250.7 Ų50.71%0.0128%0.28CS..G310 helixtrans-60.9-22.8174.1-61.4178.6000113I24 A27 R304 T308 I339 K343 L347 F369 Q370 L374I24-L372 HydrophobicContact CG2-CD1 4.46Å; A27-L372 HydrophobicContact CB-CD1 4.39Å; R304-L372 PolarHBondContact NH1-O 2.74Å; T308-L372 HydrophobicContact CG2-CD1 4.42Å; I339-L372 HydrophobicContact CD1-CD2 3.61Å; K343-L372 PolarHBondContact NZ-O 3.23Å; L347-L372 HydrophobicContact CD1-CD2 4.27Å; F369-L372 HydrophobicContact CB-CD1 4.22Å; F369-L372 HydrophobicContact CD1-CD1 3.9Å; F369-L372 HydrophobicContact CD1-CG 4.17Å; F369-L372 VanDerWaalsContact O-CB 3.25Å; F369-L372 WeakPolarHBondContact O-CB 3.3Å; F369-L372 VanDerWaalsContact O-CG 3.23Å; F369-L372 WeakPolarHBondContact O-CG 3.46Å; F369-L372 PolarHBondContact O-N 3.49Å; Q370-L372 PolarHBondContact O-N 2.62Å; L372-L374 VanDerWaalsContact C-N 3.3Å
373D74.3Confident68.9Low16 Ų1658 Ų589%0.08631%0.311CS..G310 helixtrans-80.5-8.3178.2-57.4-26000113.1R304 R305 Q370 I371 R750R304-D373 WeakPolarHBondContact CD-OD1 3.27Å; R304-D373 IonicContact CZ-OD1 2.85Å; R304-D373 IonicContact NE-OD1 2.68Å; R304-D373 IonicContact NH1-OD1 3.13Å; R304-D373 PolarHBondContact NH1-OD1 3.42Å; R305-D373 IonicContact CZ-OD2 3.43Å; R305-D373 IonicContact NH1-OD1 3.35Å; R305-D373 IonicContact NH1-OD2 3.59Å; R305-D373 PolarHBondContact NH1-OD2 3.12Å; R305-D373 IonicContact NH2-OD2 3.15Å; R305-D373 PolarHBondContact NH2-OD2 3.22Å; Q370-D373 VanDerWaalsContact O-CB 3.24Å; Q370-D373 WeakPolarHBondContact O-CB 3.44Å; Q370-D373 PolarHBondContact O-N 3.44Å; I371-D373 PolarHBondContact O-N 2.92Å; D373-R750 PolarHBondContact O-NH1 2.98Å; D373-R750 IonicContact OD2-NH2 2.71Å
374L70.2Confident67.4Low75 Ų7557.4 Ų57.439%0.39331%0.31SS..SBendtrans-75.7131.4175.7-63173.8000110W342 K343 I371 L372W342-L374 HydrophobicContact CH2-CB 3.89Å; W342-L374 WeakPolarHBondContact CH2-O 3.2Å; W342-L374 HydrophobicContact CZ3-CB 4.34Å; K343-L374 WeakPolarHBondContact CE-O 3.32Å; I371-L374 HydrophobicContact CG2-CD1 4.18Å; I371-L374 WeakPolarHBondContact O-CB 3.45Å; I371-L374 PolarHBondContact O-N 3.48Å; L372-L374 VanDerWaalsContact C-N 3.3Å
375S61.3Low66Low28 Ų2862.5 Ų62.520%0.19633%0.334CS..PPolyproline II helixtrans-74144163.8-59.20000109.6E747S375-E747 WeakPolarHBondContact CB-OE1 3.1Å; S375-E747 PolarHBondContact OG-OE1 2.92Å; S375-E747 PolarHBondContact OG-OE2 2.88Å
376G56Low64.8Low29 Ų2967.4 Ų67.430%0.29936%0.364SS..PPolyproline II helixtrans-59.6142.6-173.400000113.7W342 S378W342-G376 VanDerWaalsContact CZ2-N 3.32Å; G376-S378 PolarHBondContact O-N 2.7Å
377P52.5Low63.7Low80 Ų8067.4 Ų67.452%0.51937%0.366SS..PPolyproline II helixtrans-59.3128.1172.825.4-31.6000108.3W342 N379W342-P377 VanDerWaalsContact CD2-CD 3.48Å; W342-P377 HydrophobicContact CD2-CG 4.34Å; W342-P377 HydrophobicContact CE3-CG 4.16Å; P377-N379 PolarHBondContact O-N 3.27Å
378S45.9Very low63Low62 Ų6269.2 Ų69.243%0.43439%0.387SS..SBendtrans-59.2112.3173.450.80000108.6G376G376-S378 PolarHBondContact O-N 2.7Å
379N46.7Very low62.7Low78 Ų7874.8 Ų74.842%0.41742%0.416SS..SBendtrans42.297.4169.4-66.8-21.7000115P377 S381 S466P377-N379 PolarHBondContact O-N 3.27Å; N379-S381 PolarHBondContact O-N 3.39Å; N379-S466 PolarHBondContact ND2-O 3.43Å; N379-S466 PolarHBondContact ND2-OG 3.04Å; N379-S466 PolarHBondContact OD1-OG 3.09Å
380Q41.5Very low62.2Low143 Ų14384.4 Ų84.467%0.66845%0.452SS*.  trans-35.6129.2165.9-78.1175.5-1500110.7V382Q380-V382 VanDerWaalsContact C-N 3.32Å; Q380-V382 PolarHBondContact O-N 3.43Å
381S43.3Very low62.2Low66 Ų6685.8 Ų85.846%0.46247%0.466SS..  trans-53.992.4178.648.50000110.7N379 H383N379-S381 PolarHBondContact O-N 3.39Å; S381-H383 PolarHBondContact O-N 3Å
382V46.1Very low62.3Low69 Ų6986 Ų8642%0.41847%0.47SS..  trans-62.8112.5163.6-179.90000105.2Q380 E384 K462 A463Q380-V382 VanDerWaalsContact C-N 3.32Å; Q380-V382 PolarHBondContact O-N 3.43Å; V382-E384 PolarHBondContact O-N 3.16Å; V382-E384 VanDerWaalsContact O-N 3.13Å; V382-K462 HydrophobicContact CG1-CB 4.32Å; V382-K462 HydrophobicContact CG2-CB 4.41Å; V382-A463 HydrophobicContact CB-CB 4.27Å; V382-A463 HydrophobicContact CG1-CB 4.5Å
383H50.6Low62.3Low169 Ų16991.6 Ų91.678%0.78249%0.491SS*.  trans-54.5120.6175.4-76.1-76.7000108.8S381 Q385S381-H383 PolarHBondContact O-N 3Å; H383-Q385 PolarHBondContact O-N 3.21Å
384E55.5Low62.8Low126 Ų12696.1 Ų96.159%0.58951%0.514SS*.  trans-59122.3176.4-71175.1-178.700108.6V382 V386V382-E384 PolarHBondContact O-N 3.16Å; V382-E384 VanDerWaalsContact O-N 3.13Å; E384-V386 PolarHBondContact O-N 2.81Å
385Q58.2Low63.5Low168 Ų16895.9 Ų95.979%0.78551%0.51SS*.  trans-69.4114.9172.1-72.8179.5-20.300107.9H383 P387H383-Q385 PolarHBondContact O-N 3.21Å; Q385-P387 WeakPolarHBondContact O-CD 3.19Å
386V64.9Low64.6Low102 Ų10295.5 Ų95.562%0.61851%0.505SS*.  trans-81.6116.2175.8-177.40000108.3E384E384-V386 PolarHBondContact O-N 2.81Å
387P65.5Low66Low29 Ų2997 Ų9719%0.18851%0.508CS..  trans-66.3143.117825.4-30.9000111Q385 A392 W457Q385-P387 WeakPolarHBondContact O-CD 3.19Å; P387-A392 HydrophobicContact CB-CB 3.68Å; P387-A392 HydrophobicContact CG-CB 3.85Å; P387-W457 HydrophobicContact CB-CZ2 4.48Å; P387-W457 HydrophobicContact CG-CH2 4.35Å
388S71Confident67.6Low112 Ų11298.8 Ų98.878%0.78351%0.505SS*.SBendtrans-69.7-36.8-176.656.60000112.9
389L80.7Confident69.5Low118 Ų11895.8 Ų95.862%0.61848%0.484SS*.SBendtrans-72.8135.5179-98.389000112.5V391 A392 R393L389-V391 VanDerWaalsContact C-N 3.33Å; L389-V391 PolarHBondContact O-N 3.21Å; L389-A392 HydrophobicContact CB-CB 4.05Å; L389-A392 WeakPolarHBondContact O-CB 3.42Å; L389-A392 PolarHBondContact O-N 3.3Å; L389-R393 PolarHBondContact O-N 2.95Å
390R78.8Confident71.2Confident204 Ų20494.2 Ų94.277%0.7747%0.474SS*.Hα-helixtrans-58.8-41.3176.7-165.6-176.2-71.9-179.8-2.4112.4R393 I394R390-R393 PolarHBondContact O-N 3.05Å; R390-I394 HydrophobicContact CG-CD1 4.43Å; R390-I394 WeakPolarHBondContact O-CG1 3.27Å; R390-I394 PolarHBondContact O-N 2.67Å
391V82.6Confident73.3Confident109 Ų10988.6 Ų88.666%0.66145%0.451SS*.Hα-helixtrans-63-44.5178.4-179.50000111.2L389 R393 I394 F395L389-V391 VanDerWaalsContact C-N 3.33Å; L389-V391 PolarHBondContact O-N 3.21Å; V391-R393 VanDerWaalsContact C-N 3.3Å; V391-R393 PolarHBondContact O-N 3.14Å; V391-I394 PolarHBondContact O-N 2.92Å; V391-F395 WeakPolarHBondContact O-CB 3.35Å; V391-F395 PolarHBondContact O-N 3.37Å
392A82.1Confident75.3Confident20 Ų2093.3 Ų93.317%0.16546%0.463CS..Hα-helixtrans-60-41.7175.900000111.4P387 L389 F395 Q396 W457P387-A392 HydrophobicContact CB-CB 3.68Å; P387-A392 HydrophobicContact CG-CB 3.85Å; L389-A392 HydrophobicContact CB-CB 4.05Å; L389-A392 WeakPolarHBondContact O-CB 3.42Å; L389-A392 PolarHBondContact O-N 3.3Å; A392-F395 PolarHBondContact O-N 3.35Å; A392-Q396 WeakPolarHBondContact O-CB 3.5Å; A392-Q396 PolarHBondContact O-N 3.37Å; A392-W457 HydrophobicContact CB-CH2 3.71Å; A392-W457 HydrophobicContact CB-CZ2 3.8Å; A392-W457 WeakPolarHBondContact O-CH2 3.31Å
393R81.1Confident77.2Confident120 Ų12091.8 Ų91.845%0.45346%0.462SS..Hα-helixtrans-63.9-41.7176.6-163.6-179-58.6161.43.6112.9L389 R390 V391 T397L389-R393 PolarHBondContact O-N 2.95Å; R390-R393 PolarHBondContact O-N 3.05Å; V391-R393 VanDerWaalsContact C-N 3.3Å; V391-R393 PolarHBondContact O-N 3.14Å; R393-T397 VanDerWaalsContact O-CB 3.28Å; R393-T397 WeakPolarHBondContact O-CB 3.01Å; R393-T397 PolarHBondContact O-N 2.9Å; R393-T397 PolarHBondContact O-OG1 3.11Å
394I84.3Confident79Confident112 Ų11283.8 Ų83.857%0.57443%0.425SS*.Hα-helixtrans-62.4-46175.8-66.8165.6000110R390 V391 T397 W398R390-I394 HydrophobicContact CG-CD1 4.43Å; R390-I394 WeakPolarHBondContact O-CG1 3.27Å; R390-I394 PolarHBondContact O-N 2.67Å; V391-I394 PolarHBondContact O-N 2.92Å; I394-T397 WeakPolarHBondContact O-CB 3.37Å; I394-T397 PolarHBondContact O-N 3.46Å; I394-W398 WeakPolarHBondContact O-CB 3.41Å; I394-W398 PolarHBondContact O-N 3.06Å
395F85.6Confident80.4Confident69 Ų6981.2 Ų81.230%0.30341%0.412SS..Hα-helixtrans-63.2-46.6179.4-173.8-119.2000112.2V391 A392 T397 W398 I399 F450 W457V391-F395 WeakPolarHBondContact O-CB 3.35Å; V391-F395 PolarHBondContact O-N 3.37Å; A392-F395 PolarHBondContact O-N 3.35Å; F395-T397 VanDerWaalsContact C-N 3.3Å; F395-T397 PolarHBondContact O-N 3.26Å; F395-W398 HydrophobicContact CD2-CE3 4.23Å; F395-W398 HydrophobicContact CE2-CE3 4.09Å; F395-W398 HydrophobicContact CE2-CZ3 4.15Å; F395-W398 PolarHBondContact O-N 2.86Å; F395-I399 HydrophobicContact CD1-CD1 3.53Å; F395-I399 HydrophobicContact CD2-CD1 4.25Å; F395-I399 HydrophobicContact CD2-CG1 4.49Å; F395-I399 HydrophobicContact CE1-CD1 3.24Å; F395-I399 HydrophobicContact CE1-CG1 4.31Å; F395-I399 HydrophobicContact CE2-CD1 3.99Å; F395-I399 HydrophobicContact CE2-CG1 4.22Å; F395-I399 HydrophobicContact CG-CD1 4.03Å; F395-I399 HydrophobicContact CZ-CD1 3.48Å; F395-I399 VanDerWaalsContact CZ-CD1 3.48Å; F395-I399 HydrophobicContact CZ-CG1 4.13Å; F395-I399 WeakPolarHBondContact O-CG1 3.44Å; F395-I399 PolarHBondContact O-N 3.44Å; F395-F450 HydrophobicContact CE2-CZ 4.19Å; F395-F450 HydrophobicContact CZ-CE2 4.37Å; F395-F450 AromaticContact CZ-CZ 3.79Å; F395-F450 HydrophobicContact CZ-CZ 3.79Å; F395-W457 HydrophobicContact CD1-CE3 4.08Å; F395-W457 HydrophobicContact CD1-CH2 4.23Å; F395-W457 AromaticContact CD1-CZ3 3.59Å; F395-W457 HydrophobicContact CD1-CZ3 3.59Å; F395-W457 HydrophobicContact CE1-CE3 4.34Å; F395-W457 HydrophobicContact CE1-CZ3 4.3Å
396Q84.5Confident81.8Confident21 Ų2178 Ų7810%0.09840%0.4CS..Hα-helixtrans-58.4-43.4173.7-171.3-175.51700111.3A392 W398 I399 M400 W457 A458A392-Q396 WeakPolarHBondContact O-CB 3.5Å; A392-Q396 PolarHBondContact O-N 3.37Å; Q396-W398 VanDerWaalsContact C-N 3.3Å; Q396-W398 PolarHBondContact O-N 3.5Å; Q396-I399 PolarHBondContact O-N 3.35Å; Q396-M400 WeakPolarHBondContact O-CB 3.44Å; Q396-M400 WeakPolarHBondContact O-CG 3.45Å; Q396-M400 PolarHBondContact O-N 2.86Å; Q396-W457 HydrophobicContact CB-CH2 4.35Å; Q396-W457 HydrophobicContact CB-CZ3 3.95Å; Q396-A458 HydrophobicContact CG-CB 4.04Å; Q396-A458 PolarHBondContact NE2-O 3.36Å
397T83.9Confident83Confident59 Ų5975.6 Ų75.636%0.36239%0.386SS..Hα-helixtrans-62.8-37.7178-58.90000112.1R393 I394 F395 S401 R733R393-T397 VanDerWaalsContact O-CB 3.28Å; R393-T397 WeakPolarHBondContact O-CB 3.01Å; R393-T397 PolarHBondContact O-N 2.9Å; R393-T397 PolarHBondContact O-OG1 3.11Å; I394-T397 WeakPolarHBondContact O-CB 3.37Å; I394-T397 PolarHBondContact O-N 3.46Å; F395-T397 VanDerWaalsContact C-N 3.3Å; F395-T397 PolarHBondContact O-N 3.26Å; T397-S401 WeakPolarHBondContact O-CB 3.45Å; T397-S401 PolarHBondContact O-N 3.45Å; T397-R733 PolarHBondContact O-NH2 2.84Å; T397-R733 VanDerWaalsContact O-NH2 3.13Å
398W87.5Confident84.1Confident118 Ų11876 Ų7645%0.44738%0.384SS..Hα-helixtrans-70.2-47.5177.1-179.872.9000111.8I394 F395 Q396 M400 S401 F404I394-W398 WeakPolarHBondContact O-CB 3.41Å; I394-W398 PolarHBondContact O-N 3.06Å; F395-W398 HydrophobicContact CD2-CE3 4.23Å; F395-W398 HydrophobicContact CE2-CE3 4.09Å; F395-W398 HydrophobicContact CE2-CZ3 4.15Å; F395-W398 PolarHBondContact O-N 2.86Å; Q396-W398 VanDerWaalsContact C-N 3.3Å; Q396-W398 PolarHBondContact O-N 3.5Å; W398-M400 VanDerWaalsContact C-N 3.25Å; W398-M400 PolarHBondContact O-N 2.92Å; W398-S401 WeakPolarHBondContact O-CB 3.41Å; W398-S401 PolarHBondContact O-N 3.39Å; W398-S401 PolarHBondContact O-OG 2.67Å; W398-F404 HydrophobicContact CD2-CD2 4.41Å; W398-F404 HydrophobicContact CE3-CD2 4.06Å; W398-F404 HydrophobicContact CE3-CE2 4.45Å; W398-F404 AromaticContact CH2-CD2 3.52Å; W398-F404 HydrophobicContact CH2-CD2 3.52Å; W398-F404 AromaticContact CH2-CE2 3.69Å; W398-F404 HydrophobicContact CH2-CE2 3.69Å; W398-F404 AromaticContact CZ2-CD2 3.88Å; W398-F404 HydrophobicContact CZ2-CD2 3.88Å; W398-F404 HydrophobicContact CZ2-CE2 4.47Å; W398-F404 AromaticContact CZ3-CD2 3.61Å; W398-F404 HydrophobicContact CZ3-CD2 3.61Å; W398-F404 AromaticContact CZ3-CE2 3.67Å; W398-F404 HydrophobicContact CZ3-CE2 3.67Å; W398-F404 VanDerWaalsContact O-CB 3.3Å; W398-F404 WeakPolarHBondContact O-CB 3.48Å
399I85.8Confident84.9Confident0 Ų072.6 Ų72.60%036%0.356CS..Hα-helixtrans-59.8-38176.8-64.4161.6000111F395 Q396 S401 F404 F455 A458F395-I399 HydrophobicContact CD1-CD1 3.53Å; F395-I399 HydrophobicContact CD2-CD1 4.25Å; F395-I399 HydrophobicContact CD2-CG1 4.49Å; F395-I399 HydrophobicContact CE1-CD1 3.24Å; F395-I399 HydrophobicContact CE1-CG1 4.31Å; F395-I399 HydrophobicContact CE2-CD1 3.99Å; F395-I399 HydrophobicContact CE2-CG1 4.22Å; F395-I399 HydrophobicContact CG-CD1 4.03Å; F395-I399 HydrophobicContact CZ-CD1 3.48Å; F395-I399 VanDerWaalsContact CZ-CD1 3.48Å; F395-I399 HydrophobicContact CZ-CG1 4.13Å; F395-I399 WeakPolarHBondContact O-CG1 3.44Å; F395-I399 PolarHBondContact O-N 3.44Å; Q396-I399 PolarHBondContact O-N 3.35Å; I399-S401 PolarHBondContact O-N 3.37Å; I399-F404 HydrophobicContact CG2-CD1 4.09Å; I399-F404 HydrophobicContact CG2-CE1 4.04Å; I399-F404 WeakPolarHBondContact O-CD1 3.27Å; I399-F455 HydrophobicContact CG2-CD1 3.34Å; I399-F455 HydrophobicContact CG2-CE1 3.35Å; I399-A458 HydrophobicContact CD1-CB 4.32Å; I399-A458 HydrophobicContact CG2-CB 4.23Å
400M81.2Confident85.4Confident44 Ų4470.6 Ų70.622%0.21735%0.345CS..THydrogen-bonded Turntrans-84.29177-60.8-67.1102.300113.4Q396 W398 F455 A458 Y459Q396-M400 WeakPolarHBondContact O-CB 3.44Å; Q396-M400 WeakPolarHBondContact O-CG 3.45Å; Q396-M400 PolarHBondContact O-N 2.86Å; W398-M400 VanDerWaalsContact C-N 3.25Å; W398-M400 PolarHBondContact O-N 2.92Å; M400-F455 HydrophobicContact CE-CD1 3.67Å; M400-F455 HydrophobicContact CE-CE1 3.85Å; M400-A458 HydrophobicContact CE-CB 3.83Å; M400-Y459 HydrophobicContact CE-CD1 4.37Å; M400-Y459 HydrophobicContact CE-CD2 4.14Å; M400-Y459 HydrophobicContact CE-CE1 3.87Å; M400-Y459 HydrophobicContact CE-CE2 3.63Å; M400-Y459 HydrophobicContact CE-CG 4.48Å; M400-Y459 VanDerWaalsContact CE-CZ 3.47Å; M400-Y459 HydrophobicContact SD-CD1 3.94Å; M400-Y459 HydrophobicContact SD-CE1 3.35Å; M400-Y459 WeakPolarHBondContact SD-CE1 3.48Å; M400-Y459 HydrophobicContact SD-CE2 4.26Å; M400-Y459 VanDerWaalsContact SD-CZ 3.53Å
401S86.7Confident86Confident25 Ų2562.4 Ų62.418%0.17532%0.316CS..SBendtrans-87.6153.7179.377.80000111.9T397 W398 I399 G403 F404 E405T397-S401 WeakPolarHBondContact O-CB 3.45Å; T397-S401 PolarHBondContact O-N 3.45Å; W398-S401 WeakPolarHBondContact O-CB 3.41Å; W398-S401 PolarHBondContact O-N 3.39Å; W398-S401 PolarHBondContact O-OG 2.67Å; I399-S401 PolarHBondContact O-N 3.37Å; S401-G403 PolarHBondContact O-N 2.95Å; S401-G403 PolarHBondContact OG-N 3.4Å; S401-F404 PolarHBondContact O-N 2.83Å; S401-F404 PolarHBondContact OG-N 2.89Å; S401-E405 PolarHBondContact O-N 3.34Å
402K83.6Confident86.4Confident165 Ų16557.2 Ų57.272%0.71729%0.285SS*.Hα-helixtrans-59-24.4168.6-68.2-175.9177.7179.60112.6E405 L406K402-E405 WeakPolarHBondContact O-CB 3.45Å; K402-E405 PolarHBondContact O-N 3.38Å; K402-L406 PolarHBondContact O-N 3.1Å
403G86.9Confident86.8Confident38 Ų3859.1 Ų59.139%0.39229%0.294SS..Hα-helixtrans-67.3-42.6176.600000112.4S401 E405 L406 V407S401-G403 PolarHBondContact O-N 2.95Å; S401-G403 PolarHBondContact OG-N 3.4Å; G403-E405 VanDerWaalsContact C-N 3.33Å; G403-E405 PolarHBondContact O-N 3.08Å; G403-L406 WeakPolarHBondContact O-CB 3.49Å; G403-L406 PolarHBondContact O-N 3.2Å; G403-V407 WeakPolarHBondContact O-CG2 3.45Å; G403-V407 PolarHBondContact O-N 3.01Å
404F87.9Confident87.4Confident0 Ų058.4 Ų58.40%030%0.295CS..Hα-helixtrans-66.4-37.3175.9-170.8-108.2000111.6W398 I399 S401 L406 V407 R408 E451 F455W398-F404 HydrophobicContact CD2-CD2 4.41Å; W398-F404 HydrophobicContact CE3-CD2 4.06Å; W398-F404 HydrophobicContact CE3-CE2 4.45Å; W398-F404 AromaticContact CH2-CD2 3.52Å; W398-F404 HydrophobicContact CH2-CD2 3.52Å; W398-F404 AromaticContact CH2-CE2 3.69Å; W398-F404 HydrophobicContact CH2-CE2 3.69Å; W398-F404 AromaticContact CZ2-CD2 3.88Å; W398-F404 HydrophobicContact CZ2-CD2 3.88Å; W398-F404 HydrophobicContact CZ2-CE2 4.47Å; W398-F404 AromaticContact CZ3-CD2 3.61Å; W398-F404 HydrophobicContact CZ3-CD2 3.61Å; W398-F404 AromaticContact CZ3-CE2 3.67Å; W398-F404 HydrophobicContact CZ3-CE2 3.67Å; W398-F404 VanDerWaalsContact O-CB 3.3Å; W398-F404 WeakPolarHBondContact O-CB 3.48Å; I399-F404 HydrophobicContact CG2-CD1 4.09Å; I399-F404 HydrophobicContact CG2-CE1 4.04Å; I399-F404 WeakPolarHBondContact O-CD1 3.27Å; S401-F404 PolarHBondContact O-N 2.83Å; S401-F404 PolarHBondContact OG-N 2.89Å; F404-L406 VanDerWaalsContact C-N 3.32Å; F404-L406 PolarHBondContact O-N 3.41Å; F404-V407 PolarHBondContact O-N 2.96Å; F404-R408 HydrophobicContact CD1-CG 4.11Å; F404-R408 HydrophobicContact CE1-CG 3.92Å; F404-R408 HydrophobicContact CZ-CG 4.29Å; F404-R408 VanDerWaalsContact O-CG 3.23Å; F404-R408 WeakPolarHBondContact O-CG 3.3Å; F404-R408 PolarHBondContact O-N 3.04Å; F404-E451 HydrophobicContact CE1-CG 4.09Å; F404-E451 HydrophobicContact CZ-CG 4.13Å; F404-F455 AromaticContact CD1-CE1 3.97Å; F404-F455 HydrophobicContact CD1-CE1 3.97Å; F404-F455 AromaticContact CD1-CZ 3.95Å; F404-F455 HydrophobicContact CD1-CZ 3.95Å; F404-F455 AromaticContact CE1-CE1 3.77Å; F404-F455 HydrophobicContact CE1-CE1 3.77Å; F404-F455 HydrophobicContact CE1-CE2 4.39Å; F404-F455 AromaticContact CE1-CZ 3.64Å; F404-F455 HydrophobicContact CE1-CZ 3.64Å
405E84.9Confident87.8Confident72 Ų7253.1 Ų53.134%0.33627%0.268SS..Hα-helixtrans-56.8-45170-69.1-56.812300112.2S401 K402 G403 R408 I409S401-E405 PolarHBondContact O-N 3.34Å; K402-E405 WeakPolarHBondContact O-CB 3.45Å; K402-E405 PolarHBondContact O-N 3.38Å; G403-E405 VanDerWaalsContact C-N 3.33Å; G403-E405 PolarHBondContact O-N 3.08Å; E405-R408 WeakPolarHBondContact O-CB 3Å; E405-R408 PolarHBondContact O-N 3.09Å; E405-R408 IonicContact OE1-CZ 2.71Å; E405-R408 IonicContact OE1-NH1 3.59Å; E405-R408 PolarHBondContact OE1-NH1 3.44Å; E405-R408 IonicContact OE2-CZ 3.22Å; E405-R408 IonicContact OE2-NH1 3.26Å; E405-R408 PolarHBondContact OE2-NH1 3.19Å; E405-I409 WeakPolarHBondContact O-CG1 3.27Å; E405-I409 PolarHBondContact O-N 3.41Å
406L87.4Confident88.1Confident100 Ų10051.6 Ų51.652%0.52426%0.264SS..Hα-helixtrans-62.2-44.5176.4-177.164.7000111.8K402 G403 F404 R408 I409 I410K402-L406 PolarHBondContact O-N 3.1Å; G403-L406 WeakPolarHBondContact O-CB 3.49Å; G403-L406 PolarHBondContact O-N 3.2Å; F404-L406 VanDerWaalsContact C-N 3.32Å; F404-L406 PolarHBondContact O-N 3.41Å; L406-R408 VanDerWaalsContact C-N 3.32Å; L406-R408 PolarHBondContact O-N 3.01Å; L406-I409 PolarHBondContact O-N 2.96Å; L406-I410 HydrophobicContact CD1-CD1 4.25Å; L406-I410 HydrophobicContact CD1-CG1 4.43Å; L406-I410 HydrophobicContact CD2-CD1 4.45Å; L406-I410 HydrophobicContact CG-CD1 3.85Å; L406-I410 HydrophobicContact CG-CG1 4.45Å; L406-I410 VanDerWaalsContact O-CG1 3.31Å; L406-I410 WeakPolarHBondContact O-CG1 3.49Å; L406-I410 PolarHBondContact O-N 3.24Å
407V90.9Very high88.5Confident53 Ų5354.8 Ų54.832%0.32128%0.281SS..Hα-helixtrans-58.6-43.9176.2170.60000111.1G403 F404 I409 I410 I411 F447G403-V407 WeakPolarHBondContact O-CG2 3.45Å; G403-V407 PolarHBondContact O-N 3.01Å; F404-V407 PolarHBondContact O-N 2.96Å; V407-I409 VanDerWaalsContact C-N 3.33Å; V407-I409 PolarHBondContact O-N 3.24Å; V407-I410 PolarHBondContact O-N 3.5Å; V407-I411 HydrophobicContact CG1-CD1 3.66Å; V407-I411 HydrophobicContact CG1-CG1 4.45Å; V407-I411 WeakPolarHBondContact O-CB 3.39Å; V407-I411 WeakPolarHBondContact O-CG1 3.34Å; V407-I411 PolarHBondContact O-N 3.4Å; V407-F447 HydrophobicContact CG1-CZ 4.35Å
408R88.8Confident88.9Confident37 Ų3755.7 Ų55.714%0.1428%0.28CS..Hα-helixtrans-60.8-41.5176.8-69167.869.3-147.3-4.9112.1F404 E405 L406 S412 E451 F455F404-R408 HydrophobicContact CD1-CG 4.11Å; F404-R408 HydrophobicContact CE1-CG 3.92Å; F404-R408 HydrophobicContact CZ-CG 4.29Å; F404-R408 VanDerWaalsContact O-CG 3.23Å; F404-R408 WeakPolarHBondContact O-CG 3.3Å; F404-R408 PolarHBondContact O-N 3.04Å; E405-R408 WeakPolarHBondContact O-CB 3Å; E405-R408 PolarHBondContact O-N 3.09Å; E405-R408 IonicContact OE1-CZ 2.71Å; E405-R408 IonicContact OE1-NH1 3.59Å; E405-R408 PolarHBondContact OE1-NH1 3.44Å; E405-R408 IonicContact OE2-CZ 3.22Å; E405-R408 IonicContact OE2-NH1 3.26Å; E405-R408 PolarHBondContact OE2-NH1 3.19Å; L406-R408 VanDerWaalsContact C-N 3.32Å; L406-R408 PolarHBondContact O-N 3.01Å; R408-S412 WeakPolarHBondContact O-CB 3.24Å; R408-S412 PolarHBondContact O-N 2.96Å; R408-S412 PolarHBondContact O-OG 3.46Å; R408-E451 HydrophobicContact CG-CG 4.41Å; R408-E451 IonicContact CZ-OE1 2.61Å; R408-E451 IonicContact NE-OE1 3.5Å; R408-E451 PolarHBondContact NE-OE1 3.46Å; R408-E451 IonicContact NH2-OE1 2.69Å; R408-E451 PolarHBondContact NH2-OE1 3.03Å; R408-F455 VanDerWaalsContact CZ-CE2 3.44Å
409I87.5Confident89Confident40 Ų4050.4 Ų50.421%0.20526%0.26CS..Hα-helixtrans-65.3-49.7176.9-68.6168000110E405 L406 V407 I411 S412 V413 L525 L528E405-I409 WeakPolarHBondContact O-CG1 3.27Å; E405-I409 PolarHBondContact O-N 3.41Å; L406-I409 PolarHBondContact O-N 2.96Å; V407-I409 VanDerWaalsContact C-N 3.33Å; V407-I409 PolarHBondContact O-N 3.24Å; I409-I411 VanDerWaalsContact C-N 3.34Å; I409-I411 PolarHBondContact O-N 3.17Å; I409-S412 WeakPolarHBondContact O-CA 3.21Å; I409-S412 WeakPolarHBondContact O-CB 3.11Å; I409-S412 PolarHBondContact O-N 3.42Å; I409-V413 WeakPolarHBondContact O-CG2 3.46Å; I409-V413 PolarHBondContact O-N 3.24Å; I409-L525 HydrophobicContact CG2-CD2 4.08Å; I409-L528 HydrophobicContact CD1-CD1 4.49Å
410I91.1Very high89.2Confident76 Ų7654 Ų5439%0.3929%0.285SS..Hα-helixtrans-56.7-47.2179.4-70.5168.9000111L406 V407 S412 V413 F414L406-I410 HydrophobicContact CD1-CD1 4.25Å; L406-I410 HydrophobicContact CD1-CG1 4.43Å; L406-I410 HydrophobicContact CD2-CD1 4.45Å; L406-I410 HydrophobicContact CG-CD1 3.85Å; L406-I410 HydrophobicContact CG-CG1 4.45Å; L406-I410 VanDerWaalsContact O-CG1 3.31Å; L406-I410 WeakPolarHBondContact O-CG1 3.49Å; L406-I410 PolarHBondContact O-N 3.24Å; V407-I410 PolarHBondContact O-N 3.5Å; I410-S412 VanDerWaalsContact C-N 3.29Å; I410-S412 PolarHBondContact O-N 3.35Å; I410-V413 PolarHBondContact O-N 2.82Å; I410-F414 HydrophobicContact CG2-CD2 3.63Å; I410-F414 HydrophobicContact CG2-CE2 3.39Å; I410-F414 VanDerWaalsContact O-CD2 3.31Å; I410-F414 WeakPolarHBondContact O-CD2 3.43Å; I410-F414 PolarHBondContact O-N 3.37Å
411I92.6Very high89.7Confident32 Ų3255.5 Ų55.516%0.16430%0.296CS..Hα-helixtrans-63.9-36.6177.9-70.1168.5000111.4V407 I409 F414 N415 F444 F447 Y448V407-I411 HydrophobicContact CG1-CD1 3.66Å; V407-I411 HydrophobicContact CG1-CG1 4.45Å; V407-I411 WeakPolarHBondContact O-CB 3.39Å; V407-I411 WeakPolarHBondContact O-CG1 3.34Å; V407-I411 PolarHBondContact O-N 3.4Å; I409-I411 VanDerWaalsContact C-N 3.34Å; I409-I411 PolarHBondContact O-N 3.17Å; I411-F414 PolarHBondContact O-N 2.96Å; I411-N415 WeakPolarHBondContact O-CB 3.02Å; I411-N415 PolarHBondContact O-N 3.31Å; I411-F444 HydrophobicContact CG2-CD1 3.78Å; I411-F444 HydrophobicContact CG2-CE1 3.98Å; I411-F447 HydrophobicContact CB-CD1 4.41Å; I411-F447 HydrophobicContact CB-CE1 4.21Å; I411-F447 HydrophobicContact CD1-CD1 3.83Å; I411-F447 HydrophobicContact CD1-CD2 3.65Å; I411-F447 HydrophobicContact CD1-CE1 3.49Å; I411-F447 VanDerWaalsContact CD1-CE1 3.49Å; I411-F447 HydrophobicContact CD1-CE2 3.28Å; I411-F447 HydrophobicContact CD1-CG 3.91Å; I411-F447 HydrophobicContact CD1-CZ 3.21Å; I411-F447 HydrophobicContact CG1-CE1 4.45Å; I411-F447 HydrophobicContact CG1-CZ 4.5Å; I411-F447 HydrophobicContact CG2-CD1 3.68Å; I411-F447 HydrophobicContact CG2-CE1 3.96Å; I411-F447 HydrophobicContact CG2-CG 4.27Å; I411-Y448 HydrophobicContact CG2-CE1 4.23Å
412S89.8Confident89.7Confident1 Ų154.7 Ų54.71%0.00729%0.29CS..Hα-helixtrans-66.4-38.6175.6-56.40000111.8R408 I409 I410 N415 V416R408-S412 WeakPolarHBondContact O-CB 3.24Å; R408-S412 PolarHBondContact O-N 2.96Å; R408-S412 PolarHBondContact O-OG 3.46Å; I409-S412 WeakPolarHBondContact O-CA 3.21Å; I409-S412 WeakPolarHBondContact O-CB 3.11Å; I409-S412 PolarHBondContact O-N 3.42Å; I410-S412 VanDerWaalsContact C-N 3.29Å; I410-S412 PolarHBondContact O-N 3.35Å; S412-N415 PolarHBondContact O-N 3.32Å; S412-V416 WeakPolarHBondContact O-CG2 3.21Å; S412-V416 PolarHBondContact O-N 2.89Å
413V91.2Very high89.9Confident59 Ų5951.4 Ų51.436%0.35828%0.279SS..Hα-helixtrans-64.9-46.8174174.30000111I409 I410 N415 V416 I417 L525I409-V413 WeakPolarHBondContact O-CG2 3.46Å; I409-V413 PolarHBondContact O-N 3.24Å; I410-V413 PolarHBondContact O-N 2.82Å; V413-N415 VanDerWaalsContact C-N 3.32Å; V413-N415 PolarHBondContact O-N 3.03Å; V413-V416 WeakPolarHBondContact O-CB 3.42Å; V413-V416 PolarHBondContact O-N 3.42Å; V413-V416 VanDerWaalsContact O-N 3.12Å; V413-I417 HydrophobicContact CG1-CD1 3.97Å; V413-I417 WeakPolarHBondContact O-CG1 3.26Å; V413-I417 PolarHBondContact O-N 3.48Å; V413-L525 HydrophobicContact CG2-CD1 4.35Å; V413-L525 HydrophobicContact CG2-CD2 3.65Å
414F93.3Very high90Very high105 Ų10553 Ų5346%0.46128%0.284SS..Hα-helixtrans-59.2-43.4175.6-78.5-57.3000111.9I410 I411 V416 I417 F418 F444I410-F414 HydrophobicContact CG2-CD2 3.63Å; I410-F414 HydrophobicContact CG2-CE2 3.39Å; I410-F414 VanDerWaalsContact O-CD2 3.31Å; I410-F414 WeakPolarHBondContact O-CD2 3.43Å; I410-F414 PolarHBondContact O-N 3.37Å; I411-F414 PolarHBondContact O-N 2.96Å; F414-V416 VanDerWaalsContact C-N 3.27Å; F414-V416 PolarHBondContact O-N 2.86Å; F414-I417 PolarHBondContact O-N 2.97Å; F414-I417 VanDerWaalsContact O-N 3.11Å; F414-F418 HydrophobicContact CB-CD2 4.36Å; F414-F418 HydrophobicContact CB-CE2 4.41Å; F414-F418 HydrophobicContact CD1-CE2 4.4Å; F414-F418 WeakPolarHBondContact O-CD2 3.26Å; F414-F418 PolarHBondContact O-N 3.19Å; F414-F444 HydrophobicContact CB-CE1 4.19Å; F414-F444 HydrophobicContact CB-CZ 4.05Å
415N92.3Very high90Very high1 Ų158.6 Ų58.61%0.00531%0.306CS..Hα-helixtrans-55.4-41.7175.3178.755.8000112I411 S412 V413 L419 F444 Y448 L518I411-N415 WeakPolarHBondContact O-CB 3.02Å; I411-N415 PolarHBondContact O-N 3.31Å; S412-N415 PolarHBondContact O-N 3.32Å; V413-N415 VanDerWaalsContact C-N 3.32Å; V413-N415 PolarHBondContact O-N 3.03Å; N415-L419 WeakPolarHBondContact O-CB 3.34Å; N415-L419 VanDerWaalsContact O-CG 3.24Å; N415-L419 WeakPolarHBondContact O-CG 3.35Å; N415-L419 PolarHBondContact O-N 2.85Å; N415-F444 HydrophobicContact CB-CD1 3.96Å; N415-F444 HydrophobicContact CB-CD2 4.13Å; N415-F444 HydrophobicContact CB-CE1 3.97Å; N415-F444 HydrophobicContact CB-CE2 4.12Å; N415-F444 HydrophobicContact CB-CG 4.07Å; N415-F444 HydrophobicContact CB-CZ 4.06Å; N415-F444 WeakPolarHBondContact OD1-CD2 3.23Å; N415-Y448 WeakPolarHBondContact CB-OH 3.38Å; N415-Y448 PolarHBondContact ND2-OH 3.46Å; N415-L518 PolarHBondContact ND2-O 3.23Å
416V91.6Very high90Very high38 Ų3856.3 Ų56.323%0.2330%0.298CS..Hα-helixtrans-61.7-48.7174.3178.10000111.9S412 V413 F414 F418 L419 C420 T522 L525S412-V416 WeakPolarHBondContact O-CG2 3.21Å; S412-V416 PolarHBondContact O-N 2.89Å; V413-V416 WeakPolarHBondContact O-CB 3.42Å; V413-V416 PolarHBondContact O-N 3.42Å; V413-V416 VanDerWaalsContact O-N 3.12Å; F414-V416 VanDerWaalsContact C-N 3.27Å; F414-V416 PolarHBondContact O-N 2.86Å; V416-F418 PolarHBondContact O-N 3.24Å; V416-L419 PolarHBondContact O-N 3.2Å; V416-C420 WeakPolarHBondContact O-CB 3.36Å; V416-C420 PolarHBondContact O-N 3.35Å; V416-C420 PolarHBondContact O-SG 2.84Å; V416-C420 VanDerWaalsContact O-SG 3.36Å; V416-T522 HydrophobicContact CG2-CG2 3.13Å; V416-L525 HydrophobicContact CG2-CD1 4.31Å
417I93Very high89.9Confident88 Ų8858.8 Ų58.845%0.45131%0.311SS..Hα-helixtrans-60.1-48.6-177.7-65.5168.1000109.9V413 F414 L419 C420 V421V413-I417 HydrophobicContact CG1-CD1 3.97Å; V413-I417 WeakPolarHBondContact O-CG1 3.26Å; V413-I417 PolarHBondContact O-N 3.48Å; F414-I417 PolarHBondContact O-N 2.97Å; F414-I417 VanDerWaalsContact O-N 3.11Å; I417-L419 PolarHBondContact O-N 2.87Å; I417-C420 PolarHBondContact O-N 3.03Å; I417-V421 WeakPolarHBondContact O-CG2 3.45Å; I417-V421 PolarHBondContact O-N 3.28Å
418F92.1Very high89.9Confident77 Ų7761 Ų6134%0.33833%0.329SS..Hα-helixtrans-65-39.3178.7-77.8-72.6000112.7F414 V416 V421 D422 M437 I440 F444F414-F418 HydrophobicContact CB-CD2 4.36Å; F414-F418 HydrophobicContact CB-CE2 4.41Å; F414-F418 HydrophobicContact CD1-CE2 4.4Å; F414-F418 WeakPolarHBondContact O-CD2 3.26Å; F414-F418 PolarHBondContact O-N 3.19Å; V416-F418 PolarHBondContact O-N 3.24Å; F418-V421 PolarHBondContact O-N 2.92Å; F418-D422 WeakPolarHBondContact O-CB 3.49Å; F418-D422 PolarHBondContact O-N 2.97Å; F418-M437 HydrophobicContact CD1-SD 4.34Å; F418-I440 HydrophobicContact CB-CG2 4.26Å; F418-I440 HydrophobicContact CD1-CD1 3.99Å; F418-I440 HydrophobicContact CD1-CG2 4.12Å; F418-I440 HydrophobicContact CD2-CG2 4.21Å; F418-I440 HydrophobicContact CE1-CD1 3.83Å; F418-I440 HydrophobicContact CG-CG2 3.94Å; F418-F444 HydrophobicContact CB-CE2 4.1Å; F418-F444 AromaticContact CD2-CE2 3.92Å; F418-F444 HydrophobicContact CD2-CE2 3.92Å; F418-F444 AromaticContact CD2-CZ 3.72Å; F418-F444 HydrophobicContact CD2-CZ 3.72Å; F418-F444 HydrophobicContact CE2-CZ 4.35Å; F418-F444 HydrophobicContact CG-CE2 4.29Å
419L90.1Very high89.7Confident7 Ų761.9 Ų61.94%0.03734%0.338CS..Hα-helixtrans-63.5-41.8173.9-77170.1000112.2N415 V416 I417 V421 D422 I423 N515 L518N415-L419 WeakPolarHBondContact O-CB 3.34Å; N415-L419 VanDerWaalsContact O-CG 3.24Å; N415-L419 WeakPolarHBondContact O-CG 3.35Å; N415-L419 PolarHBondContact O-N 2.85Å; V416-L419 PolarHBondContact O-N 3.2Å; I417-L419 PolarHBondContact O-N 2.87Å; L419-V421 VanDerWaalsContact C-N 3.33Å; L419-V421 PolarHBondContact O-N 3.36Å; L419-D422 PolarHBondContact O-N 2.9Å; L419-I423 WeakPolarHBondContact O-CB 3.49Å; L419-I423 VanDerWaalsContact O-CG1 3.27Å; L419-I423 WeakPolarHBondContact O-CG1 3.42Å; L419-I423 PolarHBondContact O-N 3.49Å; L419-N515 HydrophobicContact CD2-CB 4.01Å; L419-L518 HydrophobicContact CD1-CB 3.93Å; L419-L518 HydrophobicContact CD2-CB 4.47Å; L419-L518 HydrophobicContact CD2-CD1 4.43Å
420C91Very high89.3Confident77 Ų7763.2 Ų63.252%0.5236%0.363SS..Hα-helixtrans-61.2-43.1175.6-76.10000111.4V416 I417 S424V416-C420 WeakPolarHBondContact O-CB 3.36Å; V416-C420 PolarHBondContact O-N 3.35Å; V416-C420 PolarHBondContact O-SG 2.84Å; V416-C420 VanDerWaalsContact O-SG 3.36Å; I417-C420 PolarHBondContact O-N 3.03Å; C420-S424 WeakPolarHBondContact O-CB 3.07Å; C420-S424 PolarHBondContact O-N 3.05Å
421V91.1Very high88.7Confident74 Ų7466.2 Ų66.245%0.44837%0.373SS..Hα-helixtrans-64.8-44.4176.4175.60000110.9I417 F418 L419 S424 Y425 M437I417-V421 WeakPolarHBondContact O-CG2 3.45Å; I417-V421 PolarHBondContact O-N 3.28Å; F418-V421 PolarHBondContact O-N 2.92Å; L419-V421 VanDerWaalsContact C-N 3.33Å; L419-V421 PolarHBondContact O-N 3.36Å; V421-S424 PolarHBondContact O-N 3.06Å; V421-Y425 VanDerWaalsContact O-CB 3.22Å; V421-Y425 WeakPolarHBondContact O-CB 3.47Å; V421-Y425 PolarHBondContact O-N 2.89Å; V421-M437 HydrophobicContact CB-CE 4.33Å; V421-M437 HydrophobicContact CG1-CE 3.6Å
422D87.7Confident87.8Confident9 Ų971.6 Ų71.65%0.04839%0.392CS..Hα-helixtrans-62.2-47.9179.5-172.250.4000112.2F418 L419 Y425 S426 P433 M437 N515F418-D422 WeakPolarHBondContact O-CB 3.49Å; F418-D422 PolarHBondContact O-N 2.97Å; L419-D422 PolarHBondContact O-N 2.9Å; D422-Y425 PolarHBondContact O-N 3.17Å; D422-S426 WeakPolarHBondContact O-CB 3.44Å; D422-S426 PolarHBondContact O-N 2.63Å; D422-P433 WeakPolarHBondContact OD1-CB 3.4Å; D422-M437 HydrophobicContact CB-CG 4.43Å; D422-M437 WeakPolarHBondContact OD1-CB 3.28Å; D422-N515 PolarHBondContact OD2-ND2 3.09Å
423I86.9Confident87Confident95 Ų9572.3 Ų72.349%0.48740%0.397SS..Hα-helixtrans-65.2-45.1178.2-66.4168.3000110.8L419 S426 L427L419-I423 WeakPolarHBondContact O-CB 3.49Å; L419-I423 VanDerWaalsContact O-CG1 3.27Å; L419-I423 WeakPolarHBondContact O-CG1 3.42Å; L419-I423 PolarHBondContact O-N 3.49Å; I423-S426 PolarHBondContact O-N 3.31Å; I423-L427 WeakPolarHBondContact O-CB 3.38Å; I423-L427 PolarHBondContact O-N 2.97Å
424S88.7Confident86.5Confident71 Ų7171.2 Ų71.250%0.49740%0.397SS..Hα-helixtrans-61.3-46.1178.4-175.60000111.2C420 V421 S426 L427 S428C420-S424 WeakPolarHBondContact O-CB 3.07Å; C420-S424 PolarHBondContact O-N 3.05Å; V421-S424 PolarHBondContact O-N 3.06Å; S424-S426 PolarHBondContact O-N 3.22Å; S424-L427 PolarHBondContact O-N 3.32Å; S424-S428 WeakPolarHBondContact O-CB 3.15Å; S424-S428 PolarHBondContact O-N 2.93Å; S424-S428 PolarHBondContact O-OG 3.43Å
425Y88.6Confident86Confident118 Ų11871.1 Ų71.146%0.46341%0.405SS..Hα-helixtrans-62.5-44.9177.5-178.3-96000112.3V421 D422 L427 S428 T429V421-Y425 VanDerWaalsContact O-CB 3.22Å; V421-Y425 WeakPolarHBondContact O-CB 3.47Å; V421-Y425 PolarHBondContact O-N 2.89Å; D422-Y425 PolarHBondContact O-N 3.17Å; Y425-L427 VanDerWaalsContact C-N 3.35Å; Y425-L427 PolarHBondContact O-N 2.83Å; Y425-S428 PolarHBondContact O-N 3.3Å; Y425-T429 HydrophobicContact CD2-CG2 4.09Å; Y425-T429 HydrophobicContact CE1-CG2 4.27Å; Y425-T429 HydrophobicContact CE2-CG2 3.72Å; Y425-T429 WeakPolarHBondContact O-CB 3.41Å; Y425-T429 PolarHBondContact O-N 3.46Å; Y425-T429 PolarHBondContact O-OG1 2.9Å
426S85.6Confident85.9Confident25 Ų2577.2 Ų77.218%0.17544%0.436CS..Hα-helixtrans-64.7-38.8178.6-170.60000111.9D422 I423 S424 G430 K431D422-S426 WeakPolarHBondContact O-CB 3.44Å; D422-S426 PolarHBondContact O-N 2.63Å; I423-S426 PolarHBondContact O-N 3.31Å; S424-S426 PolarHBondContact O-N 3.22Å; S426-G430 VanDerWaalsContact O-CA 3.31Å; S426-G430 WeakPolarHBondContact O-CA 3.46Å; S426-G430 PolarHBondContact O-N 3.5Å; S426-K431 PolarHBondContact OG-O 2.89Å
427L84.8Confident85.6Confident152 Ų15277.5 Ų77.580%0.79644%0.435SS*.Hα-helixtrans-67.1-43.3176.3-173.765.9000112I423 S424 Y425I423-L427 WeakPolarHBondContact O-CB 3.38Å; I423-L427 PolarHBondContact O-N 2.97Å; S424-L427 PolarHBondContact O-N 3.32Å; Y425-L427 VanDerWaalsContact C-N 3.35Å; Y425-L427 PolarHBondContact O-N 2.83Å
428S89.5Confident85.3Confident98 Ų9875.9 Ų75.969%0.68542%0.424SS*.Hα-helixtrans-72.8-33.5-178.9-63.90000113.6S424 Y425S424-S428 WeakPolarHBondContact O-CB 3.15Å; S424-S428 PolarHBondContact O-N 2.93Å; S424-S428 PolarHBondContact O-OG 3.43Å; Y425-S428 PolarHBondContact O-N 3.3Å
429T86.4Confident85.2Confident56 Ų5677.5 Ų77.534%0.34444%0.435SS..Hα-helixtrans-99.8-16-175.361.30000113.8Y425 K431Y425-T429 HydrophobicContact CD2-CG2 4.09Å; Y425-T429 HydrophobicContact CE1-CG2 4.27Å; Y425-T429 HydrophobicContact CE2-CG2 3.72Å; Y425-T429 WeakPolarHBondContact O-CB 3.41Å; Y425-T429 PolarHBondContact O-N 3.46Å; Y425-T429 PolarHBondContact O-OG1 2.9Å; T429-K431 PolarHBondContact O-N 2.79Å; T429-K431 VanDerWaalsContact O-N 3.13Å; T429-K431 PolarHBondContact OG1-N 2.9Å
430G79.1Confident85.3Confident69 Ų6979.3 Ų79.371%0.71144%0.444SS*.  trans63.29.5-169.300000113.5S426S426-G430 VanDerWaalsContact O-CA 3.31Å; S426-G430 WeakPolarHBondContact O-CA 3.46Å; S426-G430 PolarHBondContact O-N 3.5Å
431K78.3Confident85.3Confident138 Ų13876.2 Ų76.260%0.642%0.423SS*.PPolyproline II helixtrans-96155.1-177.3-67.3-178-179.3179.50111.3S426 T429S426-K431 PolarHBondContact OG-O 2.89Å; T429-K431 PolarHBondContact O-N 2.79Å; T429-K431 VanDerWaalsContact O-N 3.13Å; T429-K431 PolarHBondContact OG1-N 2.9Å
432Y72.9Confident85.3Confident146 Ų14674.7 Ų74.757%0.57341%0.409SS*.PPolyproline II helixtrans-61.9152.4171.1-69-78.7000111.1G434 W508Y432-G434 PolarHBondContact O-N 3.09Å; Y432-W508 HydrophobicContact CE1-CB 4.11Å; Y432-W508 AromaticContact CE1-CD1 3.77Å; Y432-W508 HydrophobicContact CE1-CG 4.33Å
433P73.6Confident85.6Confident16 Ų1676.2 Ų76.210%0.10443%0.427CS..PPolyproline II helixtrans-57.1133.5176.726.2-36.7000110.3D422 M437 R438 V511D422-P433 WeakPolarHBondContact OD1-CB 3.4Å; P433-M437 HydrophobicContact CB-CB 4.48Å; P433-R438 HydrophobicContact CB-CG 4.28Å; P433-R438 HydrophobicContact CG-CG 4.17Å; P433-V511 HydrophobicContact CG-CG1 4.06Å
434G79.3Confident85.9Confident35 Ų3572.7 Ų72.736%0.36141%0.408SS..PPolyproline II helixtrans-60154.6176.600000111.5Y432 I436 M437 R438Y432-G434 PolarHBondContact O-N 3.09Å; G434-I436 PolarHBondContact O-N 2.93Å; G434-I436 VanDerWaalsContact O-N 3.12Å; G434-M437 PolarHBondContact O-N 2.97Å; G434-R438 PolarHBondContact O-N 3.25Å
435V84.6Confident86.1Confident104 Ų10469.4 Ų69.463%0.6339%0.385SS*.Hα-helixtrans-52.6-38.2179.4-179.60000111.5M437 R438 I439V435-M437 PolarHBondContact O-N 3.35Å; V435-R438 PolarHBondContact O-N 2.71Å; V435-I439 HydrophobicContact CG1-CD1 3.94Å; V435-I439 HydrophobicContact CG1-CG1 4.41Å; V435-I439 WeakPolarHBondContact O-CG1 3.18Å; V435-I439 PolarHBondContact O-N 3.2Å
436I88.2Confident86.4Confident128 Ų12868.6 Ų68.666%0.65639%0.388SS*.Hα-helixtrans-59.4-47.1178.2-60.9170.9000111.7G434 R438 I439 I440G434-I436 PolarHBondContact O-N 2.93Å; G434-I436 VanDerWaalsContact O-N 3.12Å; I436-R438 VanDerWaalsContact C-N 3.27Å; I436-R438 PolarHBondContact O-N 3.43Å; I436-I439 PolarHBondContact O-N 3.48Å; I436-I440 HydrophobicContact CG2-CD1 3.89Å; I436-I440 WeakPolarHBondContact O-CG1 3.44Å; I436-I440 PolarHBondContact O-N 2.99Å
437M87Confident86.8Confident44 Ų4469.3 Ų69.322%0.21739%0.388CS..Hα-helixtrans-64.8-34.3179.4-70.3-56.7-17500112.1F418 V421 D422 P433 G434 V435 I440 S441F418-M437 HydrophobicContact CD1-SD 4.34Å; V421-M437 HydrophobicContact CB-CE 4.33Å; V421-M437 HydrophobicContact CG1-CE 3.6Å; D422-M437 HydrophobicContact CB-CG 4.43Å; D422-M437 WeakPolarHBondContact OD1-CB 3.28Å; P433-M437 HydrophobicContact CB-CB 4.48Å; G434-M437 PolarHBondContact O-N 2.97Å; V435-M437 PolarHBondContact O-N 3.35Å; M437-I440 PolarHBondContact O-N 3.16Å; M437-I440 HydrophobicContact SD-CD1 4.18Å; M437-S441 WeakPolarHBondContact O-CB 3.3Å; M437-S441 PolarHBondContact O-N 3.42Å; M437-S441 PolarHBondContact O-OG 3.47Å
438R85.9Confident87.2Confident55 Ų5562.1 Ų62.121%0.20835%0.35CS..Hα-helixtrans-68.3-39.4175.7-62.3-17862.5-113.5-26.6111.7P433 G434 V435 I436 S441 W442 E487 L491P433-R438 HydrophobicContact CB-CG 4.28Å; P433-R438 HydrophobicContact CG-CG 4.17Å; G434-R438 PolarHBondContact O-N 3.25Å; V435-R438 PolarHBondContact O-N 2.71Å; I436-R438 VanDerWaalsContact C-N 3.27Å; I436-R438 PolarHBondContact O-N 3.43Å; R438-S441 PolarHBondContact O-N 3.38Å; R438-W442 PolarHBondContact O-N 3.49Å; R438-E487 IonicContact CZ-OE1 3.65Å; R438-E487 VanDerWaalsContact CZ-OE1 3.29Å; R438-E487 IonicContact NE-OE1 3.83Å; R438-E487 PolarHBondContact NE-OE1 2.96Å; R438-E487 IonicContact NH2-OE1 2.72Å; R438-E487 PolarHBondContact NH2-OE1 3.3Å; R438-L491 VanDerWaalsContact NH1-CD1 3.32Å
439I90.7Very high87.4Confident111 Ų11159.1 Ų59.157%0.56933%0.328SS*.Hα-helixtrans-63.1-46.4173.4-67.6166.6000110.5V435 I436 S441 W442 G443V435-I439 HydrophobicContact CG1-CD1 3.94Å; V435-I439 HydrophobicContact CG1-CG1 4.41Å; V435-I439 WeakPolarHBondContact O-CG1 3.18Å; V435-I439 PolarHBondContact O-N 3.2Å; I436-I439 PolarHBondContact O-N 3.48Å; I439-S441 VanDerWaalsContact C-N 3.31Å; I439-S441 PolarHBondContact O-N 3.2Å; I439-W442 WeakPolarHBondContact O-CB 2.94Å; I439-W442 PolarHBondContact O-N 3.18Å; I439-W442 VanDerWaalsContact O-N 3.14Å; I439-G443 PolarHBondContact O-N 2.89Å
440I92.1Very high87.8Confident45 Ų4560.9 Ų60.923%0.23133%0.33CS..Hα-helixtrans-58.9-44.7177.5-69.1167.5000110.7F418 I436 M437 W442 G443 F444F418-I440 HydrophobicContact CB-CG2 4.26Å; F418-I440 HydrophobicContact CD1-CD1 3.99Å; F418-I440 HydrophobicContact CD1-CG2 4.12Å; F418-I440 HydrophobicContact CD2-CG2 4.21Å; F418-I440 HydrophobicContact CE1-CD1 3.83Å; F418-I440 HydrophobicContact CG-CG2 3.94Å; I436-I440 HydrophobicContact CG2-CD1 3.89Å; I436-I440 WeakPolarHBondContact O-CG1 3.44Å; I436-I440 PolarHBondContact O-N 2.99Å; M437-I440 PolarHBondContact O-N 3.16Å; M437-I440 HydrophobicContact SD-CD1 4.18Å; I440-W442 VanDerWaalsContact C-N 3.31Å; I440-W442 PolarHBondContact O-N 3.41Å; I440-G443 WeakPolarHBondContact O-CA 3.38Å; I440-G443 PolarHBondContact O-N 2.66Å; I440-F444 HydrophobicContact CG2-CD2 3.98Å; I440-F444 HydrophobicContact CG2-CE2 3.43Å; I440-F444 VanDerWaalsContact CG2-CE2 3.43Å; I440-F444 HydrophobicContact CG2-CZ 4.23Å; I440-F444 WeakPolarHBondContact O-CD2 3.3Å; I440-F444 PolarHBondContact O-N 2.98Å
441S90.2Very high88.4Confident11 Ų1157.6 Ų57.68%0.07730%0.297CS..Hα-helixtrans-61-37.4176.6-62.40000113.1M437 R438 I439 T445M437-S441 WeakPolarHBondContact O-CB 3.3Å; M437-S441 PolarHBondContact O-N 3.42Å; M437-S441 PolarHBondContact O-OG 3.47Å; R438-S441 PolarHBondContact O-N 3.38Å; I439-S441 VanDerWaalsContact C-N 3.31Å; I439-S441 PolarHBondContact O-N 3.2Å; S441-T445 PolarHBondContact O-N 2.72Å; S441-T445 VanDerWaalsContact O-N 3.09Å; S441-T445 PolarHBondContact O-OG1 3.41Å
442W91.8Very high89.1Confident43 Ų4351.3 Ų51.316%0.16327%0.27CS..Hα-helixtrans-65.3-41171.7-95.6105.3000111.9R438 I439 I440 F444 T445 I446 F481 K484 L485 L488R438-W442 PolarHBondContact O-N 3.49Å; I439-W442 WeakPolarHBondContact O-CB 2.94Å; I439-W442 PolarHBondContact O-N 3.18Å; I439-W442 VanDerWaalsContact O-N 3.14Å; I440-W442 VanDerWaalsContact C-N 3.31Å; I440-W442 PolarHBondContact O-N 3.41Å; W442-F444 PolarHBondContact O-N 3.32Å; W442-T445 PolarHBondContact O-N 2.84Å; W442-T445 VanDerWaalsContact O-N 3.17Å; W442-I446 HydrophobicContact CE3-CD1 4.32Å; W442-I446 HydrophobicContact CE3-CG1 4.24Å; W442-I446 VanDerWaalsContact O-CG1 3.3Å; W442-I446 WeakPolarHBondContact O-CG1 3.43Å; W442-I446 PolarHBondContact O-N 3.37Å; W442-F481 HydrophobicContact CZ3-CD2 4.44Å; W442-F481 HydrophobicContact CZ3-CE2 4.17Å; W442-K484 HydrophobicContact CH2-CB 3.84Å; W442-K484 HydrophobicContact CZ2-CB 3.73Å; W442-K484 VanDerWaalsContact CZ2-O 3.28Å; W442-K484 WeakPolarHBondContact CZ2-O 3.35Å; W442-K484 HydrophobicContact CZ3-CB 4.35Å; W442-L485 HydrophobicContact CH2-CD2 4Å; W442-L485 HydrophobicContact CH2-CG 4.4Å; W442-L488 HydrophobicContact CZ2-CB 3.91Å; W442-L488 HydrophobicContact CZ2-CD2 4.01Å
443G93.4Very high90Very high41 Ų4149.5 Ų49.542%0.42327%0.269SS..Hα-helixtrans-55.3-47.1173.700000112.7I439 I440 I446 F447I439-G443 PolarHBondContact O-N 2.89Å; I440-G443 WeakPolarHBondContact O-CA 3.38Å; I440-G443 PolarHBondContact O-N 2.66Å; G443-I446 PolarHBondContact O-N 2.96Å; G443-F447 PolarHBondContact O-N 2.84Å
444F93.8Very high90.8Very high21 Ų2149 Ų499%0.09227%0.265CS..Hα-helixtrans-62.7-43.3174.8-69.9-55.2000112.8I411 F414 N415 F418 I440 W442 I446 F447 Y448I411-F444 HydrophobicContact CG2-CD1 3.78Å; I411-F444 HydrophobicContact CG2-CE1 3.98Å; F414-F444 HydrophobicContact CB-CE1 4.19Å; F414-F444 HydrophobicContact CB-CZ 4.05Å; N415-F444 HydrophobicContact CB-CD1 3.96Å; N415-F444 HydrophobicContact CB-CD2 4.13Å; N415-F444 HydrophobicContact CB-CE1 3.97Å; N415-F444 HydrophobicContact CB-CE2 4.12Å; N415-F444 HydrophobicContact CB-CG 4.07Å; N415-F444 HydrophobicContact CB-CZ 4.06Å; N415-F444 WeakPolarHBondContact OD1-CD2 3.23Å; F418-F444 HydrophobicContact CB-CE2 4.1Å; F418-F444 AromaticContact CD2-CE2 3.92Å; F418-F444 HydrophobicContact CD2-CE2 3.92Å; F418-F444 AromaticContact CD2-CZ 3.72Å; F418-F444 HydrophobicContact CD2-CZ 3.72Å; F418-F444 HydrophobicContact CE2-CZ 4.35Å; F418-F444 HydrophobicContact CG-CE2 4.29Å; I440-F444 HydrophobicContact CG2-CD2 3.98Å; I440-F444 HydrophobicContact CG2-CE2 3.43Å; I440-F444 VanDerWaalsContact CG2-CE2 3.43Å; I440-F444 HydrophobicContact CG2-CZ 4.23Å; I440-F444 WeakPolarHBondContact O-CD2 3.3Å; I440-F444 PolarHBondContact O-N 2.98Å; W442-F444 PolarHBondContact O-N 3.32Å; F444-I446 PolarHBondContact O-N 2.8Å; F444-F447 PolarHBondContact O-N 3.45Å; F444-Y448 HydrophobicContact CB-CE2 4.08Å; F444-Y448 WeakPolarHBondContact O-CD2 3.17Å; F444-Y448 VanDerWaalsContact O-CG 3.26Å; F444-Y448 PolarHBondContact O-N 2.58Å
445T92.3Very high91.2Very high1 Ų147.5 Ų47.51%0.00625%0.249CC..Hα-helixtrans-61.9-46.2179.8-57.70000111.3S441 W442 F447 Y448 V449 I480 F481 K484S441-T445 PolarHBondContact O-N 2.72Å; S441-T445 VanDerWaalsContact O-N 3.09Å; S441-T445 PolarHBondContact O-OG1 3.41Å; W442-T445 PolarHBondContact O-N 2.84Å; W442-T445 VanDerWaalsContact O-N 3.17Å; T445-F447 VanDerWaalsContact C-N 3.34Å; T445-F447 PolarHBondContact O-N 3.36Å; T445-Y448 PolarHBondContact O-N 2.79Å; T445-V449 WeakPolarHBondContact O-CG2 3.41Å; T445-V449 PolarHBondContact O-N 2.66Å; T445-I480 HydrophobicContact CG2-CG2 3.84Å; T445-F481 HydrophobicContact CG2-CD2 4.23Å; T445-K484 HydrophobicContact CG2-CG 4.17Å
446I94.4Very high91.5Very high102 Ų10245 Ų4552%0.52323%0.231SC..Hα-helixtrans-60.8-44.5177.3-69165.7000110.4W442 G443 F444 Y448 V449 F450W442-I446 HydrophobicContact CE3-CD1 4.32Å; W442-I446 HydrophobicContact CE3-CG1 4.24Å; W442-I446 VanDerWaalsContact O-CG1 3.3Å; W442-I446 WeakPolarHBondContact O-CG1 3.43Å; W442-I446 PolarHBondContact O-N 3.37Å; G443-I446 PolarHBondContact O-N 2.96Å; F444-I446 PolarHBondContact O-N 2.8Å; I446-Y448 VanDerWaalsContact C-N 3.32Å; I446-Y448 PolarHBondContact O-N 2.89Å; I446-V449 PolarHBondContact O-N 2.91Å; I446-F450 WeakPolarHBondContact O-CB 3.23Å; I446-F450 PolarHBondContact O-N 3.5Å
447F94.5Very high91.4Very high40 Ų4044.6 Ų44.618%0.17522%0.222CC..Hα-helixtrans-59-43.6175.9177.6-93.5000111.8V407 I411 G443 F444 T445 F450 E451V407-F447 HydrophobicContact CG1-CZ 4.35Å; I411-F447 HydrophobicContact CB-CD1 4.41Å; I411-F447 HydrophobicContact CB-CE1 4.21Å; I411-F447 HydrophobicContact CD1-CD1 3.83Å; I411-F447 HydrophobicContact CD1-CD2 3.65Å; I411-F447 HydrophobicContact CD1-CE1 3.49Å; I411-F447 VanDerWaalsContact CD1-CE1 3.49Å; I411-F447 HydrophobicContact CD1-CE2 3.28Å; I411-F447 HydrophobicContact CD1-CG 3.91Å; I411-F447 HydrophobicContact CD1-CZ 3.21Å; I411-F447 HydrophobicContact CG1-CE1 4.45Å; I411-F447 HydrophobicContact CG1-CZ 4.5Å; I411-F447 HydrophobicContact CG2-CD1 3.68Å; I411-F447 HydrophobicContact CG2-CE1 3.96Å; I411-F447 HydrophobicContact CG2-CG 4.27Å; G443-F447 PolarHBondContact O-N 2.84Å; F444-F447 PolarHBondContact O-N 3.45Å; T445-F447 VanDerWaalsContact C-N 3.34Å; T445-F447 PolarHBondContact O-N 3.36Å; F447-F450 PolarHBondContact O-N 3.25Å; F447-E451 WeakPolarHBondContact O-CB 3.42Å; F447-E451 PolarHBondContact O-N 3.33Å
448Y93.4Very high91.4Very high1 Ų142.7 Ų42.70%0.00421%0.213CC..Hα-helixtrans-66.9-38.1179-62.8-35000113.1I411 N415 F444 T445 I446 E451 Q452 L518 R521I411-Y448 HydrophobicContact CG2-CE1 4.23Å; N415-Y448 WeakPolarHBondContact CB-OH 3.38Å; N415-Y448 PolarHBondContact ND2-OH 3.46Å; F444-Y448 HydrophobicContact CB-CE2 4.08Å; F444-Y448 WeakPolarHBondContact O-CD2 3.17Å; F444-Y448 VanDerWaalsContact O-CG 3.26Å; F444-Y448 PolarHBondContact O-N 2.58Å; T445-Y448 PolarHBondContact O-N 2.79Å; I446-Y448 VanDerWaalsContact C-N 3.32Å; I446-Y448 PolarHBondContact O-N 2.89Å; Y448-E451 PolarHBondContact O-N 3.34Å; Y448-Q452 WeakPolarHBondContact O-CG 3.4Å; Y448-Q452 PolarHBondContact O-N 3.14Å; Y448-Q452 VanDerWaalsContact O-N 3.08Å; Y448-L518 HydrophobicContact CD2-CD2 4.32Å; Y448-L518 HydrophobicContact CE2-CD2 3.98Å; Y448-R521 HydrophobicContact CD2-CG 4.17Å; Y448-R521 HydrophobicContact CE2-CB 4.29Å; Y448-R521 HydrophobicContact CE2-CG 3.82Å
449V94.2Very high91.1Very high35 Ų3543.7 Ų43.721%0.21222%0.217CC..Hα-helixtrans-62.7-48.3173.3171.90000110T445 I446 E451 Q452 I453 V477 F481T445-V449 WeakPolarHBondContact O-CG2 3.41Å; T445-V449 PolarHBondContact O-N 2.66Å; I446-V449 PolarHBondContact O-N 2.91Å; V449-E451 VanDerWaalsContact C-N 3.32Å; V449-E451 PolarHBondContact O-N 3.43Å; V449-Q452 PolarHBondContact O-N 2.64Å; V449-I453 HydrophobicContact CG1-CD1 3.78Å; V449-I453 HydrophobicContact CG1-CG1 4.49Å; V449-I453 WeakPolarHBondContact O-CG1 3.37Å; V449-I453 PolarHBondContact O-N 3.16Å; V449-V477 HydrophobicContact CB-CG1 4.39Å; V449-V477 HydrophobicContact CG2-CG1 3.72Å; V449-F481 HydrophobicContact CG2-CB 4.08Å; V449-F481 HydrophobicContact CG2-CD2 3.88Å; V449-F481 HydrophobicContact CG2-CG 4.08Å
450F94.3Very high90.7Very high92 Ų9239.2 Ų39.240%0.40420%0.199SC..Hα-helixtrans-57.4-43.9176.9173.2-99.9000112.3F395 I446 F447 I453 S454F395-F450 HydrophobicContact CE2-CZ 4.19Å; F395-F450 HydrophobicContact CZ-CE2 4.37Å; F395-F450 AromaticContact CZ-CZ 3.79Å; F395-F450 HydrophobicContact CZ-CZ 3.79Å; I446-F450 WeakPolarHBondContact O-CB 3.23Å; I446-F450 PolarHBondContact O-N 3.5Å; F447-F450 PolarHBondContact O-N 3.25Å; F450-I453 PolarHBondContact O-N 3.42Å; F450-S454 VanDerWaalsContact O-CB 3.22Å; F450-S454 WeakPolarHBondContact O-CB 3.31Å; F450-S454 PolarHBondContact O-N 2.81Å; F450-S454 PolarHBondContact O-OG 3.28Å
451E92.3Very high90.4Very high0 Ų043.8 Ų43.80%022%0.22CC..Hα-helixtrans-59.6-46.3176-175.7-152.4152.900111.9F404 R408 F447 Y448 V449 S454 F455 R521 R524F404-E451 HydrophobicContact CE1-CG 4.09Å; F404-E451 HydrophobicContact CZ-CG 4.13Å; R408-E451 HydrophobicContact CG-CG 4.41Å; R408-E451 IonicContact CZ-OE1 2.61Å; R408-E451 IonicContact NE-OE1 3.5Å; R408-E451 PolarHBondContact NE-OE1 3.46Å; R408-E451 IonicContact NH2-OE1 2.69Å; R408-E451 PolarHBondContact NH2-OE1 3.03Å; F447-E451 WeakPolarHBondContact O-CB 3.42Å; F447-E451 PolarHBondContact O-N 3.33Å; Y448-E451 PolarHBondContact O-N 3.34Å; V449-E451 VanDerWaalsContact C-N 3.32Å; V449-E451 PolarHBondContact O-N 3.43Å; E451-S454 PolarHBondContact O-N 2.94Å; E451-F455 HydrophobicContact CG-CD2 4.02Å; E451-F455 HydrophobicContact CG-CE2 3.7Å; E451-F455 HydrophobicContact CG-CZ 4.36Å; E451-F455 WeakPolarHBondContact O-CD2 3.29Å; E451-F455 PolarHBondContact O-N 3.44Å; E451-F455 VanDerWaalsContact OE1-CE2 3.3Å; E451-F455 WeakPolarHBondContact OE1-CE2 3.16Å; E451-R521 IonicContact OE2-NH2 3.05Å; E451-R521 PolarHBondContact OE2-NH2 3.35Å; E451-R524 IonicContact OE1-CZ 3.36Å; E451-R524 IonicContact OE1-NH1 3.04Å; E451-R524 PolarHBondContact OE1-NH1 2.58Å; E451-R524 IonicContact OE1-NH2 2.98Å; E451-R524 PolarHBondContact OE1-NH2 3.24Å; E451-R524 IonicContact OE2-CZ 3.73Å; E451-R524 IonicContact OE2-NH1 2.66Å; E451-R524 PolarHBondContact OE2-NH1 2.9Å; E451-R524 IonicContact OE2-NH2 2.79Å; E451-R524 PolarHBondContact OE2-NH2 3.15Å
452Q92.3Very high90Very high7 Ų751.3 Ų51.33%0.03325%0.251CS..Hα-helixtrans-65.9-41.5179.7-65.1-43.5-68.600112.2Y448 V449 S454 F455 L456 L474 V477Y448-Q452 WeakPolarHBondContact O-CG 3.4Å; Y448-Q452 PolarHBondContact O-N 3.14Å; Y448-Q452 VanDerWaalsContact O-N 3.08Å; V449-Q452 PolarHBondContact O-N 2.64Å; Q452-S454 VanDerWaalsContact C-N 3.34Å; Q452-F455 PolarHBondContact O-N 3.47Å; Q452-L456 WeakPolarHBondContact O-CB 3.33Å; Q452-L456 PolarHBondContact O-N 3.08Å; Q452-L474 HydrophobicContact CB-CD1 4.06Å; Q452-L474 HydrophobicContact CG-CD1 4.39Å; Q452-V477 HydrophobicContact CG-CB 3.93Å; Q452-V477 HydrophobicContact CG-CG1 4.01Å; Q452-V477 HydrophobicContact CG-CG2 3.88Å
453I92.4Very high89.4Confident108 Ų10850.7 Ų50.755%0.55425%0.254SS*.Hα-helixtrans-63.1-44.9176.3-66.2169.4000110.1V449 F450 F455 L456 W457V449-I453 HydrophobicContact CG1-CD1 3.78Å; V449-I453 HydrophobicContact CG1-CG1 4.49Å; V449-I453 WeakPolarHBondContact O-CG1 3.37Å; V449-I453 PolarHBondContact O-N 3.16Å; F450-I453 PolarHBondContact O-N 3.42Å; I453-F455 VanDerWaalsContact C-N 3.33Å; I453-F455 PolarHBondContact O-N 3.42Å; I453-L456 PolarHBondContact O-N 2.98Å; I453-W457 WeakPolarHBondContact O-CB 3.48Å; I453-W457 PolarHBondContact O-N 3.39Å
454S90Very high88.9Confident5 Ų548.7 Ų48.74%0.03523%0.234CC..Hα-helixtrans-59.1-42.5177.9-66.90000112.1F450 E451 Q452 A458F450-S454 VanDerWaalsContact O-CB 3.22Å; F450-S454 WeakPolarHBondContact O-CB 3.31Å; F450-S454 PolarHBondContact O-N 2.81Å; F450-S454 PolarHBondContact O-OG 3.28Å; E451-S454 PolarHBondContact O-N 2.94Å; Q452-S454 VanDerWaalsContact C-N 3.34Å; S454-A458 WeakPolarHBondContact O-CB 3.23Å; S454-A458 PolarHBondContact O-N 3.5Å
455F88.6Confident88.5Confident4 Ų452.4 Ų52.42%0.01825%0.251CS..Hα-helixtrans-72-40.9176.2-74.7-33.3000113.8I399 M400 F404 R408 E451 Q452 I453 W457 A458 Y459 F464I399-F455 HydrophobicContact CG2-CD1 3.34Å; I399-F455 HydrophobicContact CG2-CE1 3.35Å; M400-F455 HydrophobicContact CE-CD1 3.67Å; M400-F455 HydrophobicContact CE-CE1 3.85Å; F404-F455 AromaticContact CD1-CE1 3.97Å; F404-F455 HydrophobicContact CD1-CE1 3.97Å; F404-F455 AromaticContact CD1-CZ 3.95Å; F404-F455 HydrophobicContact CD1-CZ 3.95Å; F404-F455 AromaticContact CE1-CE1 3.77Å; F404-F455 HydrophobicContact CE1-CE1 3.77Å; F404-F455 HydrophobicContact CE1-CE2 4.39Å; F404-F455 AromaticContact CE1-CZ 3.64Å; F404-F455 HydrophobicContact CE1-CZ 3.64Å; R408-F455 VanDerWaalsContact CZ-CE2 3.44Å; E451-F455 HydrophobicContact CG-CD2 4.02Å; E451-F455 HydrophobicContact CG-CE2 3.7Å; E451-F455 HydrophobicContact CG-CZ 4.36Å; E451-F455 WeakPolarHBondContact O-CD2 3.29Å; E451-F455 PolarHBondContact O-N 3.44Å; E451-F455 VanDerWaalsContact OE1-CE2 3.3Å; E451-F455 WeakPolarHBondContact OE1-CE2 3.16Å; Q452-F455 PolarHBondContact O-N 3.47Å; I453-F455 VanDerWaalsContact C-N 3.33Å; I453-F455 PolarHBondContact O-N 3.42Å; F455-W457 PolarHBondContact O-N 3.44Å; F455-A458 PolarHBondContact O-N 2.92Å; F455-Y459 HydrophobicContact CB-CD2 4.02Å; F455-Y459 HydrophobicContact CB-CE2 4.15Å; F455-Y459 HydrophobicContact CD1-CD2 4.38Å; F455-Y459 AromaticContact CD1-CE2 3.83Å; F455-Y459 HydrophobicContact CD1-CE2 3.83Å; F455-Y459 HydrophobicContact CE1-CE2 4.43Å; F455-Y459 HydrophobicContact CG-CD2 4.44Å; F455-Y459 HydrophobicContact CG-CE2 4.09Å; F455-Y459 WeakPolarHBondContact O-CB 3.46Å; F455-Y459 VanDerWaalsContact O-CD2 3.31Å; F455-Y459 WeakPolarHBondContact O-CD2 3.38Å; F455-Y459 PolarHBondContact O-N 2.92Å; F455-F464 HydrophobicContact CB-CD2 4.02Å; F455-F464 HydrophobicContact CB-CE2 3.74Å
456L89.3Confident87.7Confident50 Ų5054.7 Ų54.726%0.26227%0.267SS..Hα-helixtrans-58.6-40175.6-179.164.3000110.9Q452 I453 G460 Q461 F464 F465Q452-L456 WeakPolarHBondContact O-CB 3.33Å; Q452-L456 PolarHBondContact O-N 3.08Å; I453-L456 PolarHBondContact O-N 2.98Å; L456-G460 CarbonylContact O-C 3.45Å; L456-G460 WeakPolarHBondContact O-CA 3.41Å; L456-G460 PolarHBondContact O-N 3.26Å; L456-Q461 HydrophobicContact CD1-CG 4.22Å; L456-F464 HydrophobicContact CB-CG 4.49Å; L456-F464 HydrophobicContact CD1-CB 3.93Å; L456-F464 HydrophobicContact CD1-CD1 3.76Å; L456-F464 HydrophobicContact CD1-CG 3.89Å; L456-F465 HydrophobicContact CD1-CD2 4.4Å; L456-F465 HydrophobicContact CD1-CE2 3.8Å; L456-F465 HydrophobicContact CD1-CZ 4.28Å
457W87.6Confident86.7Confident121 Ų12152.4 Ų52.446%0.45825%0.253SS..Hα-helixtrans-71.1-47.3175.2-179.681.3000112.6P387 A392 F395 Q396 I453 F455 G460P387-W457 HydrophobicContact CB-CZ2 4.48Å; P387-W457 HydrophobicContact CG-CH2 4.35Å; A392-W457 HydrophobicContact CB-CH2 3.71Å; A392-W457 HydrophobicContact CB-CZ2 3.8Å; A392-W457 WeakPolarHBondContact O-CH2 3.31Å; F395-W457 HydrophobicContact CD1-CE3 4.08Å; F395-W457 HydrophobicContact CD1-CH2 4.23Å; F395-W457 AromaticContact CD1-CZ3 3.59Å; F395-W457 HydrophobicContact CD1-CZ3 3.59Å; F395-W457 HydrophobicContact CE1-CE3 4.34Å; F395-W457 HydrophobicContact CE1-CZ3 4.3Å; Q396-W457 HydrophobicContact CB-CH2 4.35Å; Q396-W457 HydrophobicContact CB-CZ3 3.95Å; I453-W457 WeakPolarHBondContact O-CB 3.48Å; I453-W457 PolarHBondContact O-N 3.39Å; F455-W457 PolarHBondContact O-N 3.44Å; W457-G460 PolarHBondContact O-N 3.45Å
458A85Confident85.9Confident4 Ų459.3 Ų59.33%0.03328%0.283CS..Hα-helixtrans-70.5-38.5-174.300000114.3Q396 I399 M400 S454 F455Q396-A458 HydrophobicContact CG-CB 4.04Å; Q396-A458 PolarHBondContact NE2-O 3.36Å; I399-A458 HydrophobicContact CD1-CB 4.32Å; I399-A458 HydrophobicContact CG2-CB 4.23Å; M400-A458 HydrophobicContact CE-CB 3.83Å; S454-A458 WeakPolarHBondContact O-CB 3.23Å; S454-A458 PolarHBondContact O-N 3.5Å; F455-A458 PolarHBondContact O-N 2.92Å
459Y81.3Confident85.1Confident75 Ų7563 Ų6329%0.29431%0.309SS..Hα-helixtrans-82.1-25.9176.3-72.4-63.1000112.6M400 F455 A463 F464M400-Y459 HydrophobicContact CE-CD1 4.37Å; M400-Y459 HydrophobicContact CE-CD2 4.14Å; M400-Y459 HydrophobicContact CE-CE1 3.87Å; M400-Y459 HydrophobicContact CE-CE2 3.63Å; M400-Y459 HydrophobicContact CE-CG 4.48Å; M400-Y459 VanDerWaalsContact CE-CZ 3.47Å; M400-Y459 HydrophobicContact SD-CD1 3.94Å; M400-Y459 HydrophobicContact SD-CE1 3.35Å; M400-Y459 WeakPolarHBondContact SD-CE1 3.48Å; M400-Y459 HydrophobicContact SD-CE2 4.26Å; M400-Y459 VanDerWaalsContact SD-CZ 3.53Å; F455-Y459 HydrophobicContact CB-CD2 4.02Å; F455-Y459 HydrophobicContact CB-CE2 4.15Å; F455-Y459 HydrophobicContact CD1-CD2 4.38Å; F455-Y459 AromaticContact CD1-CE2 3.83Å; F455-Y459 HydrophobicContact CD1-CE2 3.83Å; F455-Y459 HydrophobicContact CE1-CE2 4.43Å; F455-Y459 HydrophobicContact CG-CD2 4.44Å; F455-Y459 HydrophobicContact CG-CE2 4.09Å; F455-Y459 WeakPolarHBondContact O-CB 3.46Å; F455-Y459 VanDerWaalsContact O-CD2 3.31Å; F455-Y459 WeakPolarHBondContact O-CD2 3.38Å; F455-Y459 PolarHBondContact O-N 2.92Å; Y459-A463 WeakPolarHBondContact O-CB 3.4Å; Y459-F464 HydrophobicContact CD2-CD2 4.22Å
460G82.3Confident84.7Confident18 Ų1862.7 Ų62.719%0.18631%0.306CS..  trans82152.3-164.800000112.1L456 W457 K462 A463 F464L456-G460 CarbonylContact O-C 3.45Å; L456-G460 WeakPolarHBondContact O-CA 3.41Å; L456-G460 PolarHBondContact O-N 3.26Å; W457-G460 PolarHBondContact O-N 3.45Å; G460-K462 PolarHBondContact O-N 3.44Å; G460-A463 PolarHBondContact O-N 3.13Å; G460-F464 WeakPolarHBondContact O-CB 3.48Å; G460-F464 PolarHBondContact O-N 2.88Å
461Q84.1Confident84.3Confident141 Ų14161.7 Ų61.766%0.65930%0.304SS*.Hα-helixtrans-56.2-48.1-171.8-64.4176-7.700112.5L456 A463 F464 F465L456-Q461 HydrophobicContact CD1-CG 4.22Å; Q461-A463 PolarHBondContact O-N 3.46Å; Q461-F464 PolarHBondContact O-N 2.61Å; Q461-F465 HydrophobicContact CB-CD2 4.44Å; Q461-F465 WeakPolarHBondContact O-CD2 3.2Å; Q461-F465 PolarHBondContact O-N 3.29Å
462K83Confident83.9Confident169 Ų16967.2 Ų67.274%0.73533%0.328SS*.Hα-helixtrans-62.7-46.4-177.1-67.4-176.4179.7-179.90112.3V382 G460 S466V382-K462 HydrophobicContact CG1-CB 4.32Å; V382-K462 HydrophobicContact CG2-CB 4.41Å; G460-K462 PolarHBondContact O-N 3.44Å; K462-S466 VanDerWaalsContact O-CB 3.27Å; K462-S466 WeakPolarHBondContact O-CB 3.45Å; K462-S466 PolarHBondContact O-N 3.01Å
463A78.7Confident83.6Confident29 Ų2967.3 Ų67.324%0.2433%0.331CS..Hα-helixtrans-69.3-39.2-179.800000111.7V382 Y459 G460 Q461 S466V382-A463 HydrophobicContact CB-CB 4.27Å; V382-A463 HydrophobicContact CG1-CB 4.5Å; Y459-A463 WeakPolarHBondContact O-CB 3.4Å; G460-A463 PolarHBondContact O-N 3.13Å; Q461-A463 PolarHBondContact O-N 3.46Å; A463-S466 PolarHBondContact O-N 3.11Å
464F83.3Confident83.6Confident0 Ų064.6 Ų64.60%032%0.318CS..Hα-helixtrans-62.2-50.1177.4-174.6-89.3000112F455 L456 Y459 G460 Q461 S466 K467 N470 L474F455-F464 HydrophobicContact CB-CD2 4.02Å; F455-F464 HydrophobicContact CB-CE2 3.74Å; L456-F464 HydrophobicContact CB-CG 4.49Å; L456-F464 HydrophobicContact CD1-CB 3.93Å; L456-F464 HydrophobicContact CD1-CD1 3.76Å; L456-F464 HydrophobicContact CD1-CG 3.89Å; Y459-F464 HydrophobicContact CD2-CD2 4.22Å; G460-F464 WeakPolarHBondContact O-CB 3.48Å; G460-F464 PolarHBondContact O-N 2.88Å; Q461-F464 PolarHBondContact O-N 2.61Å; F464-S466 VanDerWaalsContact C-N 3.28Å; F464-S466 PolarHBondContact O-N 3.29Å; F464-K467 PolarHBondContact O-N 3.13Å; F464-N470 HydrophobicContact CD1-CB 4.24Å; F464-N470 HydrophobicContact CD2-CB 3.98Å; F464-N470 HydrophobicContact CE1-CB 3.99Å; F464-N470 HydrophobicContact CE2-CB 3.73Å; F464-N470 HydrophobicContact CG-CB 4.24Å; F464-N470 HydrophobicContact CZ-CB 3.74Å; F464-N470 WeakPolarHBondContact O-CB 3.46Å; F464-L474 HydrophobicContact CE1-CB 4.03Å; F464-L474 HydrophobicContact CE1-CD2 4.01Å; F464-L474 HydrophobicContact CZ-CB 4.19Å
465F86.2Confident83.6Confident99 Ų9970.2 Ų70.243%0.43434%0.342SS..Hα-helixtrans-73.8-16.5179.9-72.7-66.6000113.8L456 Q461 K467 I471 L474L456-F465 HydrophobicContact CD1-CD2 4.4Å; L456-F465 HydrophobicContact CD1-CE2 3.8Å; L456-F465 HydrophobicContact CD1-CZ 4.28Å; Q461-F465 HydrophobicContact CB-CD2 4.44Å; Q461-F465 WeakPolarHBondContact O-CD2 3.2Å; Q461-F465 PolarHBondContact O-N 3.29Å; F465-K467 VanDerWaalsContact C-N 3.26Å; F465-K467 PolarHBondContact O-N 2.69Å; F465-I471 HydrophobicContact CD1-CG1 4.19Å; F465-I471 WeakPolarHBondContact O-CD1 3.45Å; F465-L474 HydrophobicContact CE1-CD2 3.8Å; F465-L474 HydrophobicContact CZ-CD2 4.07Å
466S74.6Confident83.7Confident49 Ų4970.8 Ų70.834%0.34335%0.345SS..Hα-helixtrans-69.2-27.2174.7-1660000112.5N379 K462 A463 F464N379-S466 PolarHBondContact ND2-O 3.43Å; N379-S466 PolarHBondContact ND2-OG 3.04Å; N379-S466 PolarHBondContact OD1-OG 3.09Å; K462-S466 VanDerWaalsContact O-CB 3.27Å; K462-S466 WeakPolarHBondContact O-CB 3.45Å; K462-S466 PolarHBondContact O-N 3.01Å; A463-S466 PolarHBondContact O-N 3.11Å; F464-S466 VanDerWaalsContact C-N 3.28Å; F464-S466 PolarHBondContact O-N 3.29Å
467K72.5Confident83.8Confident54 Ų5468.6 Ų68.624%0.23533%0.333CS..  trans-91.6113.4-178.9-171.8172-175.2131.70111.6F464 F465 S469 N470 I471 E739F464-K467 PolarHBondContact O-N 3.13Å; F465-K467 VanDerWaalsContact C-N 3.26Å; F465-K467 PolarHBondContact O-N 2.69Å; K467-S469 PolarHBondContact O-N 2.78Å; K467-S469 VanDerWaalsContact O-N 3.15Å; K467-N470 HydrophobicContact CB-CB 4.17Å; K467-N470 WeakPolarHBondContact O-CB 3.27Å; K467-N470 PolarHBondContact O-N 2.78Å; K467-I471 PolarHBondContact O-N 3.5Å; K467-I471 VanDerWaalsContact O-N 3.15Å; K467-E739 WeakPolarHBondContact CD-OE1 3.3Å; K467-E739 WeakPolarHBondContact CE-OE1 3.37Å; K467-E739 WeakPolarHBondContact CG-OE1 3.26Å; K467-E739 IonicContact NZ-OE1 3.71Å; K467-E739 PolarHBondContact NZ-OE1 2.98Å
468K78Confident84.1Confident184 Ų18465.1 Ų65.180%0.833%0.331SS*.Hα-helixtrans-53.1-37.3178.2-67.5-176.9-179.6176.50113.7N470 I471 F472K468-N470 PolarHBondContact O-N 2.78Å; K468-I471 PolarHBondContact O-N 3.39Å; K468-F472 WeakPolarHBondContact O-CB 3.43Å; K468-F472 PolarHBondContact O-N 3.37Å
469S77.9Confident84.5Confident80 Ų8067.7 Ų67.756%0.55934%0.343SS*.Hα-helixtrans-65-36.9177.8-179.40000112.8K467 G473K467-S469 PolarHBondContact O-N 2.78Å; K467-S469 VanDerWaalsContact O-N 3.15Å; S469-G473 PolarHBondContact O-N 3.42Å
470N84.1Confident85Confident27 Ų2764.1 Ų64.114%0.14433%0.329CS..Hα-helixtrans-71-41.3176.8-72.1-4.4000111F464 K467 K468 F472 G473 L474F464-N470 HydrophobicContact CD1-CB 4.24Å; F464-N470 HydrophobicContact CD2-CB 3.98Å; F464-N470 HydrophobicContact CE1-CB 3.99Å; F464-N470 HydrophobicContact CE2-CB 3.73Å; F464-N470 HydrophobicContact CG-CB 4.24Å; F464-N470 HydrophobicContact CZ-CB 3.74Å; F464-N470 WeakPolarHBondContact O-CB 3.46Å; K467-N470 HydrophobicContact CB-CB 4.17Å; K467-N470 WeakPolarHBondContact O-CB 3.27Å; K467-N470 PolarHBondContact O-N 2.78Å; K468-N470 PolarHBondContact O-N 2.78Å; N470-F472 PolarHBondContact O-N 3.05Å; N470-G473 PolarHBondContact O-N 3.46Å; N470-L474 WeakPolarHBondContact O-CB 3.12Å; N470-L474 PolarHBondContact O-N 2.83Å
471I86.1Confident85.5Confident72 Ų7266.8 Ų66.837%0.36934%0.336SS..Hα-helixtrans-58-49173.4-62.2164.9000110.5F465 K467 K468 G473 L474 F475F465-I471 HydrophobicContact CD1-CG1 4.19Å; F465-I471 WeakPolarHBondContact O-CD1 3.45Å; K467-I471 PolarHBondContact O-N 3.5Å; K467-I471 VanDerWaalsContact O-N 3.15Å; K468-I471 PolarHBondContact O-N 3.39Å; I471-G473 VanDerWaalsContact C-N 3.34Å; I471-G473 PolarHBondContact O-N 3.09Å; I471-L474 PolarHBondContact O-N 2.99Å; I471-F475 WeakPolarHBondContact O-CB 3.44Å; I471-F475 PolarHBondContact O-N 3.22Å
472F85.1Confident85.9Confident115 Ų11563.8 Ų63.850%0.50433%0.327SS..Hα-helixtrans-60.5-44.7177179.3-101.7000111.6K468 N470 L474 F475 I476K468-F472 WeakPolarHBondContact O-CB 3.43Å; K468-F472 PolarHBondContact O-N 3.37Å; N470-F472 PolarHBondContact O-N 3.05Å; F472-L474 PolarHBondContact O-N 2.86Å; F472-F475 PolarHBondContact O-N 3.49Å; F472-I476 HydrophobicContact CD1-CG1 4.33Å; F472-I476 HydrophobicContact CD2-CG1 4.4Å; F472-I476 HydrophobicContact CE1-CG1 3.93Å; F472-I476 HydrophobicContact CE2-CD1 4.12Å; F472-I476 HydrophobicContact CE2-CG1 4.01Å; F472-I476 HydrophobicContact CZ-CD1 3.97Å; F472-I476 HydrophobicContact CZ-CG1 3.76Å; F472-I476 VanDerWaalsContact O-CG1 3.32Å; F472-I476 WeakPolarHBondContact O-CG1 3.26Å; F472-I476 PolarHBondContact O-N 2.95Å
473G86Confident86.3Confident9 Ų956.5 Ų56.59%0.09330%0.296CS..Hα-helixtrans-59.2-43.2176.300000113.3S469 N470 I471 V477S469-G473 PolarHBondContact O-N 3.42Å; N470-G473 PolarHBondContact O-N 3.46Å; I471-G473 VanDerWaalsContact C-N 3.34Å; I471-G473 PolarHBondContact O-N 3.09Å; G473-V477 VanDerWaalsContact O-CG2 3.29Å; G473-V477 WeakPolarHBondContact O-CG2 3.2Å; G473-V477 PolarHBondContact O-N 3.24Å; G473-V477 VanDerWaalsContact O-N 3.16Å
474L91.1Very high86.9Confident51 Ų5155.2 Ų55.227%0.26729%0.285SS..Hα-helixtrans-65.3-47.2176.7179.265.7000111.3Q452 F464 F465 N470 I471 F472 I476 V477 A478Q452-L474 HydrophobicContact CB-CD1 4.06Å; Q452-L474 HydrophobicContact CG-CD1 4.39Å; F464-L474 HydrophobicContact CE1-CB 4.03Å; F464-L474 HydrophobicContact CE1-CD2 4.01Å; F464-L474 HydrophobicContact CZ-CB 4.19Å; F465-L474 HydrophobicContact CE1-CD2 3.8Å; F465-L474 HydrophobicContact CZ-CD2 4.07Å; N470-L474 WeakPolarHBondContact O-CB 3.12Å; N470-L474 PolarHBondContact O-N 2.83Å; I471-L474 PolarHBondContact O-N 2.99Å; F472-L474 PolarHBondContact O-N 2.86Å; L474-I476 PolarHBondContact O-N 3.2Å; L474-V477 PolarHBondContact O-N 3.4Å; L474-A478 WeakPolarHBondContact O-CB 3.4Å; L474-A478 PolarHBondContact O-N 3.13Å
475F91.2Very high87.3Confident124 Ų12458.5 Ų58.554%0.54430%0.302SS..Hα-helixtrans-58.2-47.7179.4177.8-104.7000112I471 F472 V477 A478 I479I471-F475 WeakPolarHBondContact O-CB 3.44Å; I471-F475 PolarHBondContact O-N 3.22Å; F472-F475 PolarHBondContact O-N 3.49Å; F475-V477 PolarHBondContact O-N 2.82Å; F475-A478 PolarHBondContact O-N 2.87Å; F475-I479 HydrophobicContact CD1-CD1 3.89Å; F475-I479 HydrophobicContact CD2-CD1 4.31Å; F475-I479 HydrophobicContact CE1-CD1 3.32Å; F475-I479 HydrophobicContact CE1-CG1 4.5Å; F475-I479 HydrophobicContact CE2-CD1 3.8Å; F475-I479 HydrophobicContact CE2-CG1 4.43Å; F475-I479 HydrophobicContact CG-CD1 4.37Å; F475-I479 HydrophobicContact CZ-CD1 3.29Å; F475-I479 HydrophobicContact CZ-CG1 4.36Å; F475-I479 WeakPolarHBondContact O-CG1 2.95Å; F475-I479 PolarHBondContact O-N 3.34Å
476I89.9Confident87.4Confident16 Ų1657.3 Ų57.38%0.08230%0.3CS..Hα-helixtrans-61-46.3177.6-69-64.4000111.3F472 L474 A478 I479 I480 T520F472-I476 HydrophobicContact CD1-CG1 4.33Å; F472-I476 HydrophobicContact CD2-CG1 4.4Å; F472-I476 HydrophobicContact CE1-CG1 3.93Å; F472-I476 HydrophobicContact CE2-CD1 4.12Å; F472-I476 HydrophobicContact CE2-CG1 4.01Å; F472-I476 HydrophobicContact CZ-CD1 3.97Å; F472-I476 HydrophobicContact CZ-CG1 3.76Å; F472-I476 VanDerWaalsContact O-CG1 3.32Å; F472-I476 WeakPolarHBondContact O-CG1 3.26Å; F472-I476 PolarHBondContact O-N 2.95Å; L474-I476 PolarHBondContact O-N 3.2Å; I476-A478 VanDerWaalsContact C-N 3.34Å; I476-A478 PolarHBondContact O-N 3.08Å; I476-I479 PolarHBondContact O-N 2.88Å; I476-I480 HydrophobicContact CG2-CD1 3.72Å; I476-I480 HydrophobicContact CG2-CG1 4.45Å; I476-I480 VanDerWaalsContact O-CG1 3.23Å; I476-I480 WeakPolarHBondContact O-CG1 3.37Å; I476-I480 PolarHBondContact O-N 2.97Å; I476-T520 WeakPolarHBondContact CG2-OG1 3.47Å
477V92.5Very high87.9Confident4 Ų455.1 Ų55.12%0.02428%0.284CS..Hα-helixtrans-66-38.4179.7172.30000111.5V449 Q452 G473 L474 F475 I480 F481 R521V449-V477 HydrophobicContact CB-CG1 4.39Å; V449-V477 HydrophobicContact CG2-CG1 3.72Å; Q452-V477 HydrophobicContact CG-CB 3.93Å; Q452-V477 HydrophobicContact CG-CG1 4.01Å; Q452-V477 HydrophobicContact CG-CG2 3.88Å; G473-V477 VanDerWaalsContact O-CG2 3.29Å; G473-V477 WeakPolarHBondContact O-CG2 3.2Å; G473-V477 PolarHBondContact O-N 3.24Å; G473-V477 VanDerWaalsContact O-N 3.16Å; L474-V477 PolarHBondContact O-N 3.4Å; F475-V477 PolarHBondContact O-N 2.82Å; V477-I480 PolarHBondContact O-N 2.93Å; V477-F481 WeakPolarHBondContact O-CB 3.42Å; V477-F481 PolarHBondContact O-N 2.94Å; V477-R521 VanDerWaalsContact CG2-CZ 3.49Å
478A93.1Very high88.6Confident48 Ų4855.7 Ų55.740%0.39729%0.289SS..Hα-helixtrans-61.7-4617500000111.4L474 F475 I476 F481 V482L474-A478 WeakPolarHBondContact O-CB 3.4Å; L474-A478 PolarHBondContact O-N 3.13Å; F475-A478 PolarHBondContact O-N 2.87Å; I476-A478 VanDerWaalsContact C-N 3.34Å; I476-A478 PolarHBondContact O-N 3.08Å; A478-F481 PolarHBondContact O-N 3.14Å; A478-V482 WeakPolarHBondContact O-CG2 3.17Å; A478-V482 PolarHBondContact O-N 3.16Å
479I92.9Very high89Confident57 Ų5750.5 Ų50.529%0.29227%0.273SS..Hα-helixtrans-63.3-45176-66.7177.3000110.9F475 I476 F481 V482 V483 L517F475-I479 HydrophobicContact CD1-CD1 3.89Å; F475-I479 HydrophobicContact CD2-CD1 4.31Å; F475-I479 HydrophobicContact CE1-CD1 3.32Å; F475-I479 HydrophobicContact CE1-CG1 4.5Å; F475-I479 HydrophobicContact CE2-CD1 3.8Å; F475-I479 HydrophobicContact CE2-CG1 4.43Å; F475-I479 HydrophobicContact CG-CD1 4.37Å; F475-I479 HydrophobicContact CZ-CD1 3.29Å; F475-I479 HydrophobicContact CZ-CG1 4.36Å; F475-I479 WeakPolarHBondContact O-CG1 2.95Å; F475-I479 PolarHBondContact O-N 3.34Å; I476-I479 PolarHBondContact O-N 2.88Å; I479-F481 VanDerWaalsContact C-N 3.29Å; I479-F481 PolarHBondContact O-N 3.3Å; I479-V482 PolarHBondContact O-N 2.96Å; I479-V483 HydrophobicContact CG2-CG2 4.14Å; I479-V483 WeakPolarHBondContact O-CB 3.42Å; I479-V483 VanDerWaalsContact O-CG2 3.29Å; I479-V483 WeakPolarHBondContact O-CG2 3.41Å; I479-V483 PolarHBondContact O-N 2.78Å; I479-L517 HydrophobicContact CG2-CD1 3.67Å; I479-L517 HydrophobicContact CG2-CD2 4.1Å
480I92.2Very high89.1Confident1 Ų149.4 Ų49.41%0.00526%0.261CS..Hα-helixtrans-56.5-47.6176.8-68.5162.8000110.1T445 I476 V477 V483 K484 L517 L518 R521T445-I480 HydrophobicContact CG2-CG2 3.84Å; I476-I480 HydrophobicContact CG2-CD1 3.72Å; I476-I480 HydrophobicContact CG2-CG1 4.45Å; I476-I480 VanDerWaalsContact O-CG1 3.23Å; I476-I480 WeakPolarHBondContact O-CG1 3.37Å; I476-I480 PolarHBondContact O-N 2.97Å; V477-I480 PolarHBondContact O-N 2.93Å; I480-V483 PolarHBondContact O-N 3.26Å; I480-K484 HydrophobicContact CG2-CG 4.35Å; I480-K484 WeakPolarHBondContact O-CB 3.22Å; I480-K484 WeakPolarHBondContact O-CG 3.48Å; I480-K484 PolarHBondContact O-N 2.87Å; I480-L517 HydrophobicContact CD1-CB 4.34Å; I480-L517 HydrophobicContact CG1-CB 3.57Å; I480-L518 HydrophobicContact CD1-CD2 4.49Å; I480-L518 HydrophobicContact CG2-CD2 4.04Å; I480-L518 HydrophobicContact CG2-CG 4.36Å; I480-R521 HydrophobicContact CD1-CG 4.22Å
481F93.7Very high88.9Confident74 Ų7450.3 Ų50.333%0.32527%0.266SS..Hα-helixtrans-63-44.7-179.2-176-111.3000112W442 T445 V449 V477 A478 I479 K484 L485W442-F481 HydrophobicContact CZ3-CD2 4.44Å; W442-F481 HydrophobicContact CZ3-CE2 4.17Å; T445-F481 HydrophobicContact CG2-CD2 4.23Å; V449-F481 HydrophobicContact CG2-CB 4.08Å; V449-F481 HydrophobicContact CG2-CD2 3.88Å; V449-F481 HydrophobicContact CG2-CG 4.08Å; V477-F481 WeakPolarHBondContact O-CB 3.42Å; V477-F481 PolarHBondContact O-N 2.94Å; A478-F481 PolarHBondContact O-N 3.14Å; I479-F481 VanDerWaalsContact C-N 3.29Å; I479-F481 PolarHBondContact O-N 3.3Å; F481-K484 PolarHBondContact O-N 3.45Å; F481-L485 HydrophobicContact CD1-CD1 3.89Å; F481-L485 HydrophobicContact CD1-CG 4.48Å; F481-L485 HydrophobicContact CE1-CD1 3.43Å; F481-L485 VanDerWaalsContact CE1-CD1 3.43Å; F481-L485 HydrophobicContact CE1-CG 4.16Å; F481-L485 HydrophobicContact CE2-CG 4.41Å; F481-L485 HydrophobicContact CZ-CD1 3.78Å; F481-L485 HydrophobicContact CZ-CD2 4.28Å; F481-L485 HydrophobicContact CZ-CG 4.12Å; F481-L485 WeakPolarHBondContact O-CG 3.26Å; F481-L485 PolarHBondContact O-N 3.3Å
482V92.9Very high88.7Confident78 Ų7852.2 Ų52.247%0.47328%0.276SS..Hα-helixtrans-61.8-46.3175.8171.40000111.2A478 I479 K484 L485 I486A478-V482 WeakPolarHBondContact O-CG2 3.17Å; A478-V482 PolarHBondContact O-N 3.16Å; I479-V482 PolarHBondContact O-N 2.96Å; V482-K484 VanDerWaalsContact C-N 3.32Å; V482-K484 PolarHBondContact O-N 3.46Å; V482-L485 PolarHBondContact O-N 2.87Å; V482-I486 HydrophobicContact CG1-CD1 3.91Å; V482-I486 VanDerWaalsContact O-CG1 3.32Å; V482-I486 WeakPolarHBondContact O-CG1 3.41Å; V482-I486 PolarHBondContact O-N 3.24Å
483V91.2Very high88.4Confident15 Ų1549.5 Ų49.59%0.09127%0.269CS..Hα-helixtrans-62.6-39.5177.6172.80000111.1I479 I480 I486 E487 I510 L513 L517I479-V483 HydrophobicContact CG2-CG2 4.14Å; I479-V483 WeakPolarHBondContact O-CB 3.42Å; I479-V483 VanDerWaalsContact O-CG2 3.29Å; I479-V483 WeakPolarHBondContact O-CG2 3.41Å; I479-V483 PolarHBondContact O-N 2.78Å; I480-V483 PolarHBondContact O-N 3.26Å; V483-I486 PolarHBondContact O-N 3.4Å; V483-E487 PolarHBondContact O-N 3.3Å; V483-I510 HydrophobicContact CG1-CG2 4.02Å; V483-L513 HydrophobicContact CG1-CD2 4.48Å; V483-L513 HydrophobicContact CG2-CD2 4.21Å; V483-L517 HydrophobicContact CB-CD1 4.32Å; V483-L517 HydrophobicContact CG2-CD1 3.88Å
484K90.7Very high87.5Confident2 Ų251.7 Ų51.71%0.00928%0.283CS..Hα-helixtrans-66.3-38.5174.8-78-56.4-164.8-159.50112.8W442 T445 I480 F481 V482 E487 L488 S514W442-K484 HydrophobicContact CH2-CB 3.84Å; W442-K484 HydrophobicContact CZ2-CB 3.73Å; W442-K484 VanDerWaalsContact CZ2-O 3.28Å; W442-K484 WeakPolarHBondContact CZ2-O 3.35Å; W442-K484 HydrophobicContact CZ3-CB 4.35Å; T445-K484 HydrophobicContact CG2-CG 4.17Å; I480-K484 HydrophobicContact CG2-CG 4.35Å; I480-K484 WeakPolarHBondContact O-CB 3.22Å; I480-K484 WeakPolarHBondContact O-CG 3.48Å; I480-K484 PolarHBondContact O-N 2.87Å; F481-K484 PolarHBondContact O-N 3.45Å; V482-K484 VanDerWaalsContact C-N 3.32Å; V482-K484 PolarHBondContact O-N 3.46Å; K484-E487 VanDerWaalsContact CD-OE2 3.3Å; K484-E487 WeakPolarHBondContact CD-OE2 3.49Å; K484-E487 IonicContact NZ-OE2 2.84Å; K484-E487 PolarHBondContact NZ-OE2 3.28Å; K484-E487 WeakPolarHBondContact O-CB 3.46Å; K484-E487 PolarHBondContact O-N 3.43Å; K484-L488 WeakPolarHBondContact O-CB 3.24Å; K484-L488 PolarHBondContact O-N 3.34Å; K484-S514 WeakPolarHBondContact CD-OG 3.46Å; K484-S514 WeakPolarHBondContact CE-OG 3.49Å; K484-S514 PolarHBondContact NZ-OG 2.78Å
485L91.3Very high86Confident69 Ų6957.6 Ų57.636%0.36131%0.308SS..Hα-helixtrans-64.6-40.4172.2-73.9176.2000111.8W442 F481 V482 L488 T489W442-L485 HydrophobicContact CH2-CD2 4Å; W442-L485 HydrophobicContact CH2-CG 4.4Å; F481-L485 HydrophobicContact CD1-CD1 3.89Å; F481-L485 HydrophobicContact CD1-CG 4.48Å; F481-L485 HydrophobicContact CE1-CD1 3.43Å; F481-L485 VanDerWaalsContact CE1-CD1 3.43Å; F481-L485 HydrophobicContact CE1-CG 4.16Å; F481-L485 HydrophobicContact CE2-CG 4.41Å; F481-L485 HydrophobicContact CZ-CD1 3.78Å; F481-L485 HydrophobicContact CZ-CD2 4.28Å; F481-L485 HydrophobicContact CZ-CG 4.12Å; F481-L485 WeakPolarHBondContact O-CG 3.26Å; F481-L485 PolarHBondContact O-N 3.3Å; V482-L485 PolarHBondContact O-N 2.87Å; L485-L488 PolarHBondContact O-N 2.96Å; L485-T489 WeakPolarHBondContact O-CB 3.48Å; L485-T489 VanDerWaalsContact O-CG2 3.3Å; L485-T489 WeakPolarHBondContact O-CG2 2.88Å; L485-T489 PolarHBondContact O-N 3.29Å; L485-T489 PolarHBondContact O-OG1 2.97Å
486I88.3Confident84.4Confident75 Ų7559.4 Ų59.439%0.38532%0.319SS..Hα-helixtrans-63.2-43173.9-65.8166.3000110.4V482 V483 L488 T489 L490 I510V482-I486 HydrophobicContact CG1-CD1 3.91Å; V482-I486 VanDerWaalsContact O-CG1 3.32Å; V482-I486 WeakPolarHBondContact O-CG1 3.41Å; V482-I486 PolarHBondContact O-N 3.24Å; V483-I486 PolarHBondContact O-N 3.4Å; I486-L488 PolarHBondContact O-N 3.12Å; I486-T489 WeakPolarHBondContact CA-OG1 3.48Å; I486-T489 PolarHBondContact O-N 3.07Å; I486-T489 PolarHBondContact O-OG1 3.08Å; I486-L490 HydrophobicContact CG2-CD1 3.77Å; I486-L490 HydrophobicContact CG2-CG 4.3Å; I486-L490 WeakPolarHBondContact O-CB 3.46Å; I486-L490 VanDerWaalsContact O-CG 3.27Å; I486-L490 WeakPolarHBondContact O-CG 3.4Å; I486-L490 PolarHBondContact O-N 2.96Å; I486-I510 HydrophobicContact CG2-CD1 4.16Å
487E86.3Confident82.4Confident2 Ų264.6 Ų64.61%0.00934%0.344CS..Hα-helixtrans-57.9-47.9174.6-168.1-160.5139.800111.2R438 V483 K484 L491 I510 V511R438-E487 IonicContact CZ-OE1 3.65Å; R438-E487 VanDerWaalsContact CZ-OE1 3.29Å; R438-E487 IonicContact NE-OE1 3.83Å; R438-E487 PolarHBondContact NE-OE1 2.96Å; R438-E487 IonicContact NH2-OE1 2.72Å; R438-E487 PolarHBondContact NH2-OE1 3.3Å; V483-E487 PolarHBondContact O-N 3.3Å; K484-E487 VanDerWaalsContact CD-OE2 3.3Å; K484-E487 WeakPolarHBondContact CD-OE2 3.49Å; K484-E487 IonicContact NZ-OE2 2.84Å; K484-E487 PolarHBondContact NZ-OE2 3.28Å; K484-E487 WeakPolarHBondContact O-CB 3.46Å; K484-E487 PolarHBondContact O-N 3.43Å; E487-L491 HydrophobicContact CG-CD1 4.13Å; E487-L491 WeakPolarHBondContact O-CD1 3.34Å; E487-L491 VanDerWaalsContact O-CG 3.31Å; E487-L491 WeakPolarHBondContact O-CG 3.41Å; E487-L491 PolarHBondContact O-N 3.48Å; E487-I510 HydrophobicContact CB-CG2 4.01Å; E487-I510 HydrophobicContact CG-CG2 4.46Å; E487-V511 HydrophobicContact CG-CG2 4.23Å
488L87.4Confident80.2Confident66 Ų6670.4 Ų70.435%0.34638%0.379SS..Hα-helixtrans-64.9-46.7-180179.264.6000112.2W442 K484 L485 I486 L491 L492W442-L488 HydrophobicContact CZ2-CB 3.91Å; W442-L488 HydrophobicContact CZ2-CD2 4.01Å; K484-L488 WeakPolarHBondContact O-CB 3.24Å; K484-L488 PolarHBondContact O-N 3.34Å; L485-L488 PolarHBondContact O-N 2.96Å; I486-L488 PolarHBondContact O-N 3.12Å; L488-L491 PolarHBondContact O-N 3.02Å; L488-L492 HydrophobicContact CD1-CD1 4.25Å; L488-L492 HydrophobicContact CD1-CG 4.35Å; L488-L492 HydrophobicContact CG-CD1 4.02Å; L488-L492 WeakPolarHBondContact O-CG 3.46Å; L488-L492 PolarHBondContact O-N 2.95Å
489T84.7Confident77.8Confident75 Ų7575.8 Ų75.846%0.4640%0.396SS..Hα-helixtrans-62.7-43.2178.650.10000111.4L485 I486 L491 L492 V493L485-T489 WeakPolarHBondContact O-CB 3.48Å; L485-T489 VanDerWaalsContact O-CG2 3.3Å; L485-T489 WeakPolarHBondContact O-CG2 2.88Å; L485-T489 PolarHBondContact O-N 3.29Å; L485-T489 PolarHBondContact O-OG1 2.97Å; I486-T489 WeakPolarHBondContact CA-OG1 3.48Å; I486-T489 PolarHBondContact O-N 3.07Å; I486-T489 PolarHBondContact O-OG1 3.08Å; T489-L491 VanDerWaalsContact C-N 3.28Å; T489-L491 PolarHBondContact O-N 2.97Å; T489-L492 PolarHBondContact O-N 3.43Å; T489-V493 VanDerWaalsContact O-CB 3.31Å; T489-V493 WeakPolarHBondContact O-CB 3.45Å; T489-V493 VanDerWaalsContact O-CG2 3.23Å; T489-V493 WeakPolarHBondContact O-CG2 3.29Å; T489-V493 PolarHBondContact O-N 3.4Å
490L81.1Confident75.7Confident57 Ų5778 Ų7830%0.29841%0.408SS..Hα-helixtrans-62.9-35.4175.4-74.6171000112.3I486 S494 I510I486-L490 HydrophobicContact CG2-CD1 3.77Å; I486-L490 HydrophobicContact CG2-CG 4.3Å; I486-L490 WeakPolarHBondContact O-CB 3.46Å; I486-L490 VanDerWaalsContact O-CG 3.27Å; I486-L490 WeakPolarHBondContact O-CG 3.4Å; I486-L490 PolarHBondContact O-N 2.96Å; L490-S494 WeakPolarHBondContact O-CA 3.49Å; L490-S494 WeakPolarHBondContact O-CB 3.34Å; L490-S494 PolarHBondContact O-N 3.14Å; L490-S494 PolarHBondContact O-OG 3.41Å; L490-I510 HydrophobicContact CD1-CD1 3.09Å
491L80Confident73.6Confident47 Ų4782.7 Ų82.725%0.24644%0.44CS..Hα-helixtrans-73.2-40.1177.4-74.8162.2000112.9R438 E487 L488 T489 S494 I507R438-L491 VanDerWaalsContact NH1-CD1 3.32Å; E487-L491 HydrophobicContact CG-CD1 4.13Å; E487-L491 WeakPolarHBondContact O-CD1 3.34Å; E487-L491 VanDerWaalsContact O-CG 3.31Å; E487-L491 WeakPolarHBondContact O-CG 3.41Å; E487-L491 PolarHBondContact O-N 3.48Å; L488-L491 PolarHBondContact O-N 3.02Å; T489-L491 VanDerWaalsContact C-N 3.28Å; T489-L491 PolarHBondContact O-N 2.97Å; L491-S494 WeakPolarHBondContact CA-OG 3.42Å; L491-S494 PolarHBondContact O-N 3.2Å; L491-S494 PolarHBondContact O-OG 3.22Å; L491-I507 HydrophobicContact CD2-CD1 4.31Å; L491-I507 HydrophobicContact CD2-CG2 4.35Å
492L82.1Confident71.5Confident111 Ų11187.9 Ų87.958%0.58147%0.465SS*.Hα-helixtrans-62.5-44.1172.9-68.4169.7000111.2L488 T489 H495L488-L492 HydrophobicContact CD1-CD1 4.25Å; L488-L492 HydrophobicContact CD1-CG 4.35Å; L488-L492 HydrophobicContact CG-CD1 4.02Å; L488-L492 WeakPolarHBondContact O-CG 3.46Å; L488-L492 PolarHBondContact O-N 2.95Å; T489-L492 PolarHBondContact O-N 3.43Å; L492-H495 PolarHBondContact O-N 3.04Å
493V77.6Confident69.5Low58 Ų5891.9 Ų91.935%0.35248%0.477SS..Hα-helixtrans-73.3-32.6179173.10000111.8T489 H495 Q496 M497 I500T489-V493 VanDerWaalsContact O-CB 3.31Å; T489-V493 WeakPolarHBondContact O-CB 3.45Å; T489-V493 VanDerWaalsContact O-CG2 3.23Å; T489-V493 WeakPolarHBondContact O-CG2 3.29Å; T489-V493 PolarHBondContact O-N 3.4Å; V493-H495 PolarHBondContact O-N 3.36Å; V493-H495 VanDerWaalsContact O-N 3.17Å; V493-Q496 CarbonylContact O-C 3.57Å; V493-Q496 WeakPolarHBondContact O-CA 3.38Å; V493-Q496 PolarHBondContact O-N 3.27Å; V493-M497 HydrophobicContact CG1-CB 3.8Å; V493-M497 HydrophobicContact CG1-CG 3.96Å; V493-M497 PolarHBondContact O-N 3.38Å; V493-I500 HydrophobicContact CG1-CD1 4.43Å
494S67.8Low67.6Low56 Ų56101.7 Ų101.739%0.39251%0.512SS..Hα-helixtrans-62.4-23.7178.169.20000112.7L490 L491 Q496L490-S494 WeakPolarHBondContact O-CA 3.49Å; L490-S494 WeakPolarHBondContact O-CB 3.34Å; L490-S494 PolarHBondContact O-N 3.14Å; L490-S494 PolarHBondContact O-OG 3.41Å; L491-S494 WeakPolarHBondContact CA-OG 3.42Å; L491-S494 PolarHBondContact O-N 3.2Å; L491-S494 PolarHBondContact O-OG 3.22Å; S494-Q496 PolarHBondContact O-N 3.05Å
495H59.1Low66.2Low174 Ų174106.2 Ų106.281%0.80653%0.534SS*.THydrogen-bonded Turntrans-71.8-16.4170.8-160-66.7000112.8L492 V493L492-H495 PolarHBondContact O-N 3.04Å; V493-H495 PolarHBondContact O-N 3.36Å; V493-H495 VanDerWaalsContact O-N 3.17Å
496Q57.6Low65.2Low162 Ų162106.7 Ų106.776%0.75754%0.54SS*.THydrogen-bonded Turntrans-120.9-16.4-176.8-81.2-178.5-39.100115.3V493 S494V493-Q496 CarbonylContact O-C 3.57Å; V493-Q496 WeakPolarHBondContact O-CA 3.38Å; V493-Q496 PolarHBondContact O-N 3.27Å; S494-Q496 PolarHBondContact O-N 3.05Å
497M48.6Very low64.6Low125 Ų125106 Ų10662%0.61654%0.537SS*.  trans-135.3106.2-173.4-72.3-75.9174.400111.6V493V493-M497 HydrophobicContact CG1-CB 3.8Å; V493-M497 HydrophobicContact CG1-CG 3.96Å; V493-M497 PolarHBondContact O-N 3.38Å
498V45.7Very low64.2Low127 Ų127111.1 Ų111.177%0.7756%0.556SS**SBendtrans-79.6-8.8-176.9173.50000113.7
499H42.9Very low63.9Low160 Ų160110.5 Ų110.574%0.74155%0.553SS**  trans-144.862.5-172.7-82.6-70000115.9S501H499-S501 VanDerWaalsContact C-N 3.27Å; H499-S501 PolarHBondContact O-N 2.88Å
500I48.4Very low63.8Low105 Ų105107.6 Ų107.654%0.53854%0.535SS..  trans-89.375.3156-53.7177000107.8V493 Q502V493-I500 HydrophobicContact CG1-CD1 4.43Å; I500-Q502 PolarHBondContact O-N 2.93Å
501S48.9Very low63.8Low98 Ų98105.5 Ų105.569%0.68552%0.524SS*.  trans-77.8-4.5178.953.60000113.9H499H499-S501 VanDerWaalsContact C-N 3.27Å; H499-S501 PolarHBondContact O-N 2.88Å
502Q50Low64Low184 Ų184110 Ų11086%0.8654%0.538SS*.SBendtrans-84.8-26.3-175.8-75.5-171.6-38.600114.3I500 R504I500-Q502 PolarHBondContact O-N 2.93Å; Q502-R504 PolarHBondContact O-N 2.93Å
503F49.9Very low64.2Low162 Ų162108.2 Ų108.271%0.71153%0.528SS*.  trans-94.6100.4169.7-85.7-84.5000108.8M505F503-M505 PolarHBondContact O-N 3.46Å
504R51.9Low64.5Low221 Ų221105.4 Ų105.483%0.83451%0.512SS*.  trans-61.914.3174.5-136.9-179.480.2-170.96.1114.1Q502Q502-R504 PolarHBondContact O-N 2.93Å
505M60.1Low65.4Low96 Ų96103.7 Ų103.747%0.47350%0.498SS..  trans-92.996.6176-69.8-67.8-85.100108.6F503 N509F503-M505 PolarHBondContact O-N 3.46Å; M505-N509 HydrophobicContact CE-CB 3.95Å; M505-N509 HydrophobicContact SD-CB 4.06Å
506T71.2Confident66.8Low79 Ų7999.4 Ų99.449%0.48548%0.48SS..  trans-56.9147169.7-460000109.6W508 N509T506-W508 HydrophobicContact CG2-CB 4.16Å; T506-W508 PolarHBondContact O-N 2.94Å; T506-N509 WeakPolarHBondContact O-CB 3.35Å; T506-N509 PolarHBondContact O-N 3.33Å
507I76.2Confident68.3Low61 Ų6192.7 Ų92.731%0.31345%0.45SS..Hα-helixtrans-46.3-36.8173.7-65.4167.8000111L491 N509 I510 V511L491-I507 HydrophobicContact CD2-CD1 4.31Å; L491-I507 HydrophobicContact CD2-CG2 4.35Å; I507-N509 PolarHBondContact O-N 3.39Å; I507-I510 PolarHBondContact O-N 3.05Å; I507-I510 VanDerWaalsContact O-N 3.16Å; I507-V511 HydrophobicContact CG2-CG2 4.33Å; I507-V511 WeakPolarHBondContact O-CG2 3.44Å; I507-V511 PolarHBondContact O-N 3.05Å
508W77.8Confident70.2Confident109 Ų10986.8 Ų86.841%0.41342%0.42SS..Hα-helixtrans-58.5-39.4175.4-162.582.9000114.4Y432 T506 I510 V511 R512Y432-W508 HydrophobicContact CE1-CB 4.11Å; Y432-W508 AromaticContact CE1-CD1 3.77Å; Y432-W508 HydrophobicContact CE1-CG 4.33Å; T506-W508 HydrophobicContact CG2-CB 4.16Å; T506-W508 PolarHBondContact O-N 2.94Å; W508-I510 VanDerWaalsContact C-N 3.28Å; W508-I510 PolarHBondContact O-N 3.43Å; W508-V511 PolarHBondContact O-N 3.19Å; W508-R512 VanDerWaalsContact O-CB 3.29Å; W508-R512 WeakPolarHBondContact O-CB 3.45Å; W508-R512 PolarHBondContact O-N 3.37Å
509N81.2Confident72.2Confident53 Ų5384.9 Ų84.928%0.28341%0.405SS..Hα-helixtrans-64.9-35.6177.2-68.6-15.7000111.3M505 T506 I507 L513M505-N509 HydrophobicContact CE-CB 3.95Å; M505-N509 HydrophobicContact SD-CB 4.06Å; T506-N509 WeakPolarHBondContact O-CB 3.35Å; T506-N509 PolarHBondContact O-N 3.33Å; I507-N509 PolarHBondContact O-N 3.39Å; N509-L513 VanDerWaalsContact O-CB 3.31Å; N509-L513 WeakPolarHBondContact O-CB 3.43Å; N509-L513 PolarHBondContact O-N 3.49Å
510I82.4Confident74.3Confident15 Ų1579.2 Ų79.28%0.07738%0.382CS..Hα-helixtrans-73.4-43.7179.2-62.4173.7000110.4V483 I486 E487 L490 I507 W508 R512 L513 S514V483-I510 HydrophobicContact CG1-CG2 4.02Å; I486-I510 HydrophobicContact CG2-CD1 4.16Å; E487-I510 HydrophobicContact CB-CG2 4.01Å; E487-I510 HydrophobicContact CG-CG2 4.46Å; L490-I510 HydrophobicContact CD1-CD1 3.09Å; I507-I510 PolarHBondContact O-N 3.05Å; I507-I510 VanDerWaalsContact O-N 3.16Å; W508-I510 VanDerWaalsContact C-N 3.28Å; W508-I510 PolarHBondContact O-N 3.43Å; I510-R512 VanDerWaalsContact C-N 3.33Å; I510-R512 PolarHBondContact O-N 3.41Å; I510-L513 PolarHBondContact O-N 3.31Å; I510-S514 WeakPolarHBondContact O-CB 3.36Å; I510-S514 PolarHBondContact O-N 2.97Å
511V81Confident76Confident13 Ų1374.6 Ų74.68%0.07936%0.358CS..Hα-helixtrans-58.8-46.5172.8172.30000110.5P433 E487 I507 W508 L513 S514 N515P433-V511 HydrophobicContact CG-CG1 4.06Å; E487-V511 HydrophobicContact CG-CG2 4.23Å; I507-V511 HydrophobicContact CG2-CG2 4.33Å; I507-V511 WeakPolarHBondContact O-CG2 3.44Å; I507-V511 PolarHBondContact O-N 3.05Å; W508-V511 PolarHBondContact O-N 3.19Å; V511-L513 PolarHBondContact O-N 2.9Å; V511-S514 WeakPolarHBondContact O-CB 3.44Å; V511-S514 PolarHBondContact O-N 3.19Å; V511-N515 PolarHBondContact O-N 3.06Å
512R83.4Confident77.6Confident140 Ų14071.6 Ų71.653%0.52834%0.336SS..Hα-helixtrans-61.3-46.1177.3-176.3-179130.7-178-2.4111.8W508 I510 S514 N515 I516W508-R512 VanDerWaalsContact O-CB 3.29Å; W508-R512 WeakPolarHBondContact O-CB 3.45Å; W508-R512 PolarHBondContact O-N 3.37Å; I510-R512 VanDerWaalsContact C-N 3.33Å; I510-R512 PolarHBondContact O-N 3.41Å; R512-S514 VanDerWaalsContact C-N 3.31Å; R512-S514 PolarHBondContact O-N 2.88Å; R512-N515 PolarHBondContact O-N 3.26Å; R512-I516 HydrophobicContact CG-CD1 4.02Å; R512-I516 VanDerWaalsContact O-CG1 3.28Å; R512-I516 WeakPolarHBondContact O-CG1 3.42Å; R512-I516 PolarHBondContact O-N 3.04Å
513L86Confident79Confident74 Ų7466 Ų6639%0.38731%0.314SS..Hα-helixtrans-59.1-44.2175.2-179.963.4000110.8V483 N509 I510 V511 N515 I516 L517V483-L513 HydrophobicContact CG1-CD2 4.48Å; V483-L513 HydrophobicContact CG2-CD2 4.21Å; N509-L513 VanDerWaalsContact O-CB 3.31Å; N509-L513 WeakPolarHBondContact O-CB 3.43Å; N509-L513 PolarHBondContact O-N 3.49Å; I510-L513 PolarHBondContact O-N 3.31Å; V511-L513 PolarHBondContact O-N 2.9Å; L513-N515 PolarHBondContact O-N 3.35Å; L513-I516 PolarHBondContact O-N 3.2Å; L513-L517 HydrophobicContact CD1-CD1 4.31Å; L513-L517 HydrophobicContact CD1-CG 4.38Å; L513-L517 HydrophobicContact CG-CD1 4Å; L513-L517 WeakPolarHBondContact O-CB 3.48Å; L513-L517 VanDerWaalsContact O-CG 3.23Å; L513-L517 WeakPolarHBondContact O-CG 3.48Å; L513-L517 PolarHBondContact O-N 3.4Å
514S85.4Confident80.2Confident0 Ų060.3 Ų60.30%029%0.288CS..Hα-helixtrans-61-42.7176.4-176.90000112.5K484 I510 V511 R512 L517 L518K484-S514 WeakPolarHBondContact CD-OG 3.46Å; K484-S514 WeakPolarHBondContact CE-OG 3.49Å; K484-S514 PolarHBondContact NZ-OG 2.78Å; I510-S514 WeakPolarHBondContact O-CB 3.36Å; I510-S514 PolarHBondContact O-N 2.97Å; V511-S514 WeakPolarHBondContact O-CB 3.44Å; V511-S514 PolarHBondContact O-N 3.19Å; R512-S514 VanDerWaalsContact C-N 3.31Å; R512-S514 PolarHBondContact O-N 2.88Å; S514-L517 PolarHBondContact O-N 3.2Å; S514-L518 WeakPolarHBondContact O-CG 3.38Å; S514-L518 PolarHBondContact O-N 3.47Å
515N86.7Confident81.5Confident19 Ų1951.8 Ų51.810%0.10226%0.259CS..Hα-helixtrans-67.8-40.2179.1-742.1000111.1L419 D422 V511 R512 L513 L517 L518 L519L419-N515 HydrophobicContact CD2-CB 4.01Å; D422-N515 PolarHBondContact OD2-ND2 3.09Å; V511-N515 PolarHBondContact O-N 3.06Å; R512-N515 PolarHBondContact O-N 3.26Å; L513-N515 PolarHBondContact O-N 3.35Å; N515-L517 PolarHBondContact O-N 2.73Å; N515-L518 PolarHBondContact O-N 2.92Å; N515-L519 WeakPolarHBondContact O-CB 3.33Å; N515-L519 PolarHBondContact O-N 3.29Å
516I87.8Confident82.3Confident84 Ų8450.6 Ų50.643%0.43125%0.254SS..Hα-helixtrans-60.4-45.6172.8-68.3166000110.5R512 L513 L519 T520R512-I516 HydrophobicContact CG-CD1 4.02Å; R512-I516 VanDerWaalsContact O-CG1 3.28Å; R512-I516 WeakPolarHBondContact O-CG1 3.42Å; R512-I516 PolarHBondContact O-N 3.04Å; L513-I516 PolarHBondContact O-N 3.2Å; I516-L519 WeakPolarHBondContact O-CB 3.31Å; I516-L519 PolarHBondContact O-N 2.62Å; I516-T520 PolarHBondContact O-N 3.05Å
517L89.1Confident82.2Confident22 Ų2251.5 Ų51.512%0.11526%0.259CS..Hα-helixtrans-65.4-40.3178.3-69.2166.7000111.7I479 I480 V483 L513 S514 N515 L519 T520I479-L517 HydrophobicContact CG2-CD1 3.67Å; I479-L517 HydrophobicContact CG2-CD2 4.1Å; I480-L517 HydrophobicContact CD1-CB 4.34Å; I480-L517 HydrophobicContact CG1-CB 3.57Å; V483-L517 HydrophobicContact CB-CD1 4.32Å; V483-L517 HydrophobicContact CG2-CD1 3.88Å; L513-L517 HydrophobicContact CD1-CD1 4.31Å; L513-L517 HydrophobicContact CD1-CG 4.38Å; L513-L517 HydrophobicContact CG-CD1 4Å; L513-L517 WeakPolarHBondContact O-CB 3.48Å; L513-L517 VanDerWaalsContact O-CG 3.23Å; L513-L517 WeakPolarHBondContact O-CG 3.48Å; L513-L517 PolarHBondContact O-N 3.4Å; S514-L517 PolarHBondContact O-N 3.2Å; N515-L517 PolarHBondContact O-N 2.73Å; L517-L519 VanDerWaalsContact C-N 3.29Å; L517-L519 PolarHBondContact O-N 2.87Å; L517-T520 WeakPolarHBondContact O-CB 3.36Å; L517-T520 PolarHBondContact O-N 2.94Å; L517-T520 VanDerWaalsContact O-N 3.14Å; L517-T520 PolarHBondContact O-OG1 3.26Å
518L88.6Confident82Confident0 Ų053 Ų530%027%0.267CS..Hα-helixtrans-62.1-37.2172.8-75.9167.2000111.8N415 L419 Y448 I480 S514 N515 T520 R521N415-L518 PolarHBondContact ND2-O 3.23Å; L419-L518 HydrophobicContact CD1-CB 3.93Å; L419-L518 HydrophobicContact CD2-CB 4.47Å; L419-L518 HydrophobicContact CD2-CD1 4.43Å; Y448-L518 HydrophobicContact CD2-CD2 4.32Å; Y448-L518 HydrophobicContact CE2-CD2 3.98Å; I480-L518 HydrophobicContact CD1-CD2 4.49Å; I480-L518 HydrophobicContact CG2-CD2 4.04Å; I480-L518 HydrophobicContact CG2-CG 4.36Å; S514-L518 WeakPolarHBondContact O-CG 3.38Å; S514-L518 PolarHBondContact O-N 3.47Å; N515-L518 PolarHBondContact O-N 2.92Å; L518-T520 PolarHBondContact O-N 3.2Å; L518-R521 VanDerWaalsContact O-CB 3.29Å; L518-R521 WeakPolarHBondContact O-CB 3.37Å; L518-R521 WeakPolarHBondContact O-CG 3.41Å; L518-R521 PolarHBondContact O-N 3.21Å; L518-R521 VanDerWaalsContact O-N 3.09Å
519L88.4Confident81.8Confident88 Ų8853.1 Ų53.146%0.46127%0.27SS..Hα-helixtrans-62.1-28.7175.5-170.669.2000112N515 I516 L517 R521 T522N515-L519 WeakPolarHBondContact O-CB 3.33Å; N515-L519 PolarHBondContact O-N 3.29Å; I516-L519 WeakPolarHBondContact O-CB 3.31Å; I516-L519 PolarHBondContact O-N 2.62Å; L517-L519 VanDerWaalsContact C-N 3.29Å; L517-L519 PolarHBondContact O-N 2.87Å; L519-R521 PolarHBondContact O-N 3.17Å; L519-T522 HydrophobicContact CD1-CG2 3.85Å; L519-T522 VanDerWaalsContact O-CB 3.3Å; L519-T522 WeakPolarHBondContact O-CB 3.41Å; L519-T522 WeakPolarHBondContact O-CG2 3.5Å; L519-T522 PolarHBondContact O-N 2.85Å; L519-T522 PolarHBondContact O-OG1 3Å
520T86.3Confident81.3Confident40 Ų4054.3 Ų54.325%0.24528%0.281CS..G310 helixtrans-60.3-21.9175.471.80000113I476 I516 L517 L518 T522 T523I476-T520 WeakPolarHBondContact CG2-OG1 3.47Å; I516-T520 PolarHBondContact O-N 3.05Å; L517-T520 WeakPolarHBondContact O-CB 3.36Å; L517-T520 PolarHBondContact O-N 2.94Å; L517-T520 VanDerWaalsContact O-N 3.14Å; L517-T520 PolarHBondContact O-OG1 3.26Å; L518-T520 PolarHBondContact O-N 3.2Å; T520-T522 PolarHBondContact O-N 3.17Å; T520-T523 WeakPolarHBondContact O-CB 3.44Å; T520-T523 WeakPolarHBondContact O-CG2 3.5Å; T520-T523 PolarHBondContact O-N 3.07Å; T520-T523 PolarHBondContact O-OG1 3.18Å
521R84.2Confident80.8Confident8 Ų861.6 Ų61.63%0.0331%0.308CS..G310 helixtrans-70-20.2178.2-57.9-63.8-70-173.4-23.8113.1Y448 E451 V477 I480 L518 L519 T523 R524Y448-R521 HydrophobicContact CD2-CG 4.17Å; Y448-R521 HydrophobicContact CE2-CB 4.29Å; Y448-R521 HydrophobicContact CE2-CG 3.82Å; E451-R521 IonicContact OE2-NH2 3.05Å; E451-R521 PolarHBondContact OE2-NH2 3.35Å; V477-R521 VanDerWaalsContact CG2-CZ 3.49Å; I480-R521 HydrophobicContact CD1-CG 4.22Å; L518-R521 VanDerWaalsContact O-CB 3.29Å; L518-R521 WeakPolarHBondContact O-CB 3.37Å; L518-R521 WeakPolarHBondContact O-CG 3.41Å; L518-R521 PolarHBondContact O-N 3.21Å; L518-R521 VanDerWaalsContact O-N 3.09Å; L519-R521 PolarHBondContact O-N 3.17Å; R521-T523 PolarHBondContact O-N 3.02Å; R521-R524 VanDerWaalsContact NH1-NH2 3.13Å; R521-R524 WeakPolarHBondContact O-CB 3.48Å; R521-R524 WeakPolarHBondContact O-CG 3.4Å; R521-R524 PolarHBondContact O-N 3.49Å; R521-R524 VanDerWaalsContact O-N 3.17Å
522T81.8Confident80.5Confident36 Ų3661.8 Ų61.822%0.22131%0.309CS..G310 helixtrans-62.6-20.7173.765.80000113.2V416 L519 T520 R524 L525V416-T522 HydrophobicContact CG2-CG2 3.13Å; L519-T522 HydrophobicContact CD1-CG2 3.85Å; L519-T522 VanDerWaalsContact O-CB 3.3Å; L519-T522 WeakPolarHBondContact O-CB 3.41Å; L519-T522 WeakPolarHBondContact O-CG2 3.5Å; L519-T522 PolarHBondContact O-N 2.85Å; L519-T522 PolarHBondContact O-OG1 3Å; T520-T522 PolarHBondContact O-N 3.17Å; T522-R524 PolarHBondContact O-N 3.3Å; T522-L525 VanDerWaalsContact O-CB 3.25Å; T522-L525 WeakPolarHBondContact O-CB 3.29Å; T522-L525 WeakPolarHBondContact O-CG 3.28Å; T522-L525 PolarHBondContact O-N 3.34Å
523T79.4Confident79.8Confident67 Ų6759.4 Ų59.441%0.41130%0.3SS..G310 helixtrans-54.1-23.4172.756.70000113T520 R521 L525 I526T520-T523 WeakPolarHBondContact O-CB 3.44Å; T520-T523 WeakPolarHBondContact O-CG2 3.5Å; T520-T523 PolarHBondContact O-N 3.07Å; T520-T523 PolarHBondContact O-OG1 3.18Å; R521-T523 PolarHBondContact O-N 3.02Å; T523-L525 VanDerWaalsContact C-N 3.32Å; T523-L525 PolarHBondContact O-N 3.13Å; T523-I526 VanDerWaalsContact O-CB 3.22Å; T523-I526 WeakPolarHBondContact O-CB 3.35Å; T523-I526 WeakPolarHBondContact O-CD1 3.3Å; T523-I526 WeakPolarHBondContact O-CG1 3.18Å; T523-I526 PolarHBondContact O-N 3.48Å
524R76.1Confident79.1Confident41 Ų4156.7 Ų56.716%0.15529%0.286CS..G310 helixtrans-67.6-30.8174-66.9169.4167.8-154.1-16.5113.6E451 R521 T522 I526 V527E451-R524 IonicContact OE1-CZ 3.36Å; E451-R524 IonicContact OE1-NH1 3.04Å; E451-R524 PolarHBondContact OE1-NH1 2.58Å; E451-R524 IonicContact OE1-NH2 2.98Å; E451-R524 PolarHBondContact OE1-NH2 3.24Å; E451-R524 IonicContact OE2-CZ 3.73Å; E451-R524 IonicContact OE2-NH1 2.66Å; E451-R524 PolarHBondContact OE2-NH1 2.9Å; E451-R524 IonicContact OE2-NH2 2.79Å; E451-R524 PolarHBondContact OE2-NH2 3.15Å; R521-R524 VanDerWaalsContact NH1-NH2 3.13Å; R521-R524 WeakPolarHBondContact O-CB 3.48Å; R521-R524 WeakPolarHBondContact O-CG 3.4Å; R521-R524 PolarHBondContact O-N 3.49Å; R521-R524 VanDerWaalsContact O-N 3.17Å; T522-R524 PolarHBondContact O-N 3.3Å; R524-I526 PolarHBondContact O-N 3.21Å; R524-V527 WeakPolarHBondContact O-CB 3.33Å; R524-V527 PolarHBondContact O-N 2.78Å
525L79.2Confident78.8Confident42 Ų4258.8 Ų58.822%0.2230%0.299CS..G310 helixtrans-63.3-20.6176.8-58.3179000111.4I409 V413 V416 T522 T523 V527 L528I409-L525 HydrophobicContact CG2-CD2 4.08Å; V413-L525 HydrophobicContact CG2-CD1 4.35Å; V413-L525 HydrophobicContact CG2-CD2 3.65Å; V416-L525 HydrophobicContact CG2-CD1 4.31Å; T522-L525 VanDerWaalsContact O-CB 3.25Å; T522-L525 WeakPolarHBondContact O-CB 3.29Å; T522-L525 WeakPolarHBondContact O-CG 3.28Å; T522-L525 PolarHBondContact O-N 3.34Å; T523-L525 VanDerWaalsContact C-N 3.32Å; T523-L525 PolarHBondContact O-N 3.13Å; L525-V527 PolarHBondContact O-N 3.43Å; L525-L528 WeakPolarHBondContact O-CB 3.14Å; L525-L528 PolarHBondContact O-N 3.35Å
526I76.4Confident78.3Confident72 Ų7261 Ų6137%0.36931%0.312SS..G310 helixtrans-61-25.8174.4-51.8169.9000111.1T523 R524 L528 T532 V536T523-I526 VanDerWaalsContact O-CB 3.22Å; T523-I526 WeakPolarHBondContact O-CB 3.35Å; T523-I526 WeakPolarHBondContact O-CD1 3.3Å; T523-I526 WeakPolarHBondContact O-CG1 3.18Å; T523-I526 PolarHBondContact O-N 3.48Å; R524-I526 PolarHBondContact O-N 3.21Å; I526-L528 VanDerWaalsContact C-N 3.27Å; I526-L528 PolarHBondContact O-N 3.46Å; I526-T532 HydrophobicContact CG2-CG2 4.45Å; I526-T532 PolarHBondContact O-OG1 2.98Å; I526-V536 HydrophobicContact CB-CG2 4.45Å; I526-V536 HydrophobicContact CG2-CG2 3.28Å
527V69.1Low77.5Confident98 Ų9857.7 Ų57.759%0.59430%0.297SS*.G310 helixtrans-74.3-17.7177.8-175.30000112.4R524 L525 F529R524-V527 WeakPolarHBondContact O-CB 3.33Å; R524-V527 PolarHBondContact O-N 2.78Å; L525-V527 PolarHBondContact O-N 3.43Å; V527-F529 VanDerWaalsContact C-N 3.25Å; V527-F529 PolarHBondContact O-N 3.24Å
528L72.1Confident76.8Confident92 Ų9257.2 Ų57.248%0.48230%0.295SS..G310 helixtrans-61.2-35.3-177.6-173.466.8000112.2I409 L525 I526I409-L528 HydrophobicContact CD1-CD1 4.49Å; L525-L528 WeakPolarHBondContact O-CB 3.14Å; L525-L528 PolarHBondContact O-N 3.35Å; I526-L528 VanDerWaalsContact C-N 3.27Å; I526-L528 PolarHBondContact O-N 3.46Å
529F73.3Confident76.4Confident111 Ų11162.1 Ų62.149%0.48732%0.321SS..SBendtrans-100.4126.2-177.2-60.5-76.1000110.9V527 W531 T532V527-F529 VanDerWaalsContact C-N 3.25Å; V527-F529 PolarHBondContact O-N 3.24Å; F529-W531 VanDerWaalsContact C-N 3.31Å; F529-W531 AromaticContact CG-NE1 3.95Å; F529-W531 PolarHBondContact O-N 2.72Å; F529-T532 HydrophobicContact CB-CG2 3.95Å; F529-T532 WeakPolarHBondContact CB-OG1 3.22Å; F529-T532 PolarHBondContact O-N 3.21Å; F529-T532 PolarHBondContact O-OG1 3.16Å
530P69.8Low75.8Confident78 Ų7861.1 Ų61.151%0.50633%0.325SS..Hα-helixtrans-61.7-35.6178.2-28.136.2000114R533P530-R533 WeakPolarHBondContact O-CB 3.46Å; P530-R533 PolarHBondContact O-N 2.97Å
531W72.5Confident75.1Confident168 Ų16860.9 Ų60.964%0.63632%0.322SS*.Hα-helixtrans-68.8-33.6-179.273.9-91.2000112.5F529 R533 L534 V535F529-W531 VanDerWaalsContact C-N 3.31Å; F529-W531 AromaticContact CG-NE1 3.95Å; F529-W531 PolarHBondContact O-N 2.72Å; W531-R533 PolarHBondContact O-N 3.45Å; W531-L534 WeakPolarHBondContact O-CB 3.25Å; W531-L534 PolarHBondContact O-N 2.83Å; W531-V535 HydrophobicContact CE3-CG2 3.88Å; W531-V535 HydrophobicContact CZ3-CG2 3.89Å; W531-V535 PolarHBondContact O-N 3.47Å
532T74.8Confident74.8Confident17 Ų1761.7 Ų61.710%0.10433%0.327CS..Hα-helixtrans-68.3-23.6175.850.50000111.6I526 F529 L534 V535 V536I526-T532 HydrophobicContact CG2-CG2 4.45Å; I526-T532 PolarHBondContact O-OG1 2.98Å; F529-T532 HydrophobicContact CB-CG2 3.95Å; F529-T532 WeakPolarHBondContact CB-OG1 3.22Å; F529-T532 PolarHBondContact O-N 3.21Å; F529-T532 PolarHBondContact O-OG1 3.16Å; T532-L534 VanDerWaalsContact C-N 3.32Å; T532-L534 PolarHBondContact O-N 3.37Å; T532-V535 PolarHBondContact O-N 2.87Å; T532-V536 WeakPolarHBondContact O-CB 3.42Å; T532-V536 WeakPolarHBondContact O-CG2 3.39Å; T532-V536 PolarHBondContact O-N 3.36Å
533R69.2Low74.6Confident91 Ų9163.7 Ų63.734%0.34334%0.34SS..Hα-helixtrans-62.3-39172.7-69.1-173.2-77.7172.9-8.5112P530 W531 S537 T738 M740P530-R533 WeakPolarHBondContact O-CB 3.46Å; P530-R533 PolarHBondContact O-N 2.97Å; W531-R533 PolarHBondContact O-N 3.45Å; R533-S537 WeakPolarHBondContact O-CB 3.35Å; R533-S537 PolarHBondContact O-N 3.44Å; R533-T738 PolarHBondContact NH1-OG1 3.5Å; R533-M740 HydrophobicContact CB-CE 4.02Å; R533-M740 WeakPolarHBondContact O-CE 3.28Å
534L71.3Confident74.5Confident16 Ų1663.8 Ų63.88%0.08434%0.344CS..Hα-helixtrans-62-50.8172.3179.877.8000109.9W531 T532 V536 S537 V538 F662 R665 Q669W531-L534 WeakPolarHBondContact O-CB 3.25Å; W531-L534 PolarHBondContact O-N 2.83Å; T532-L534 VanDerWaalsContact C-N 3.32Å; T532-L534 PolarHBondContact O-N 3.37Å; L534-V536 PolarHBondContact O-N 2.95Å; L534-S537 PolarHBondContact O-N 3.26Å; L534-S537 PolarHBondContact O-OG 3.38Å; L534-V538 HydrophobicContact CG-CG2 4.49Å; L534-V538 VanDerWaalsContact O-CG2 3.27Å; L534-V538 WeakPolarHBondContact O-CG2 3.36Å; L534-V538 PolarHBondContact O-N 2.69Å; L534-F662 HydrophobicContact CD2-CE2 4.22Å; L534-F662 HydrophobicContact CD2-CZ 4.26Å; L534-R665 HydrophobicContact CD1-CB 4.15Å; L534-Q669 HydrophobicContact CD1-CB 4.37Å; L534-Q669 VanDerWaalsContact CD1-OE1 3.3Å
535V79.2Confident74.5Confident45 Ų4562.8 Ų62.827%0.27334%0.342SS..Hα-helixtrans-61.2-45.2-177.7178.80000111.3W531 T532 S537 V538 L539W531-V535 HydrophobicContact CE3-CG2 3.88Å; W531-V535 HydrophobicContact CZ3-CG2 3.89Å; W531-V535 PolarHBondContact O-N 3.47Å; T532-V535 PolarHBondContact O-N 2.87Å; V535-S537 PolarHBondContact O-N 3.03Å; V535-V538 PolarHBondContact O-N 3.02Å; V535-L539 HydrophobicContact CG1-CD1 3.83Å; V535-L539 HydrophobicContact CG1-CG 4.3Å; V535-L539 WeakPolarHBondContact O-CB 3.43Å; V535-L539 VanDerWaalsContact O-CG 3.26Å; V535-L539 WeakPolarHBondContact O-CG 3.43Å; V535-L539 PolarHBondContact O-N 3.07Å
536V76Confident74.7Confident65 Ų6561.3 Ų61.339%0.39433%0.334SS..Hα-helixtrans-62.8-41.2176.7171.90000111.5I526 T532 L534 L539 A540I526-V536 HydrophobicContact CB-CG2 4.45Å; I526-V536 HydrophobicContact CG2-CG2 3.28Å; T532-V536 WeakPolarHBondContact O-CB 3.42Å; T532-V536 WeakPolarHBondContact O-CG2 3.39Å; T532-V536 PolarHBondContact O-N 3.36Å; L534-V536 PolarHBondContact O-N 2.95Å; V536-L539 PolarHBondContact O-N 3.08Å; V536-A540 WeakPolarHBondContact O-CB 3.42Å; V536-A540 PolarHBondContact O-N 3.42Å
537S70.7Confident75.1Confident15 Ų1561.9 Ų61.911%0.10534%0.341CS..Hα-helixtrans-64.4-46.6178.4790000110.3R533 L534 V535 L539 A540 D541 R665R533-S537 WeakPolarHBondContact O-CB 3.35Å; R533-S537 PolarHBondContact O-N 3.44Å; L534-S537 PolarHBondContact O-N 3.26Å; L534-S537 PolarHBondContact O-OG 3.38Å; V535-S537 PolarHBondContact O-N 3.03Å; S537-L539 VanDerWaalsContact C-N 3.34Å; S537-L539 PolarHBondContact O-N 3.39Å; S537-A540 PolarHBondContact O-N 2.89Å; S537-D541 PolarHBondContact O-N 3.17Å; S537-D541 VanDerWaalsContact O-N 3.13Å; S537-R665 PolarHBondContact O-NH1 3.17Å; S537-R665 PolarHBondContact OG-NH1 2.97Å
538V74.5Confident75.9Confident11 Ų1157.8 Ų57.87%0.06732%0.316CS..Hα-helixtrans-56.7-49.7175.5178.20000110.1L534 V535 A540 D541 L542 F662 R665L534-V538 HydrophobicContact CG-CG2 4.49Å; L534-V538 VanDerWaalsContact O-CG2 3.27Å; L534-V538 WeakPolarHBondContact O-CG2 3.36Å; L534-V538 PolarHBondContact O-N 2.69Å; V535-V538 PolarHBondContact O-N 3.02Å; V538-A540 PolarHBondContact O-N 2.85Å; V538-D541 PolarHBondContact O-N 3.35Å; V538-L542 VanDerWaalsContact O-CB 3.3Å; V538-L542 WeakPolarHBondContact O-CB 3.2Å; V538-L542 PolarHBondContact O-N 3.23Å; V538-F662 HydrophobicContact CB-CD2 4.46Å; V538-F662 HydrophobicContact CG1-CB 4.4Å; V538-F662 HydrophobicContact CG1-CD2 4.19Å; V538-F662 HydrophobicContact CG2-CD2 3.97Å; V538-R665 HydrophobicContact CG2-CB 3.75Å; V538-R665 HydrophobicContact CG2-CG 3.73Å
539L81.2Confident76.7Confident104 Ų10453.4 Ų53.455%0.54529%0.294SS..Hα-helixtrans-65-35.5-179.4-73.1174.4000113.2V535 V536 S537 D541 L542 P543V535-L539 HydrophobicContact CG1-CD1 3.83Å; V535-L539 HydrophobicContact CG1-CG 4.3Å; V535-L539 WeakPolarHBondContact O-CB 3.43Å; V535-L539 VanDerWaalsContact O-CG 3.26Å; V535-L539 WeakPolarHBondContact O-CG 3.43Å; V535-L539 PolarHBondContact O-N 3.07Å; V536-L539 PolarHBondContact O-N 3.08Å; S537-L539 VanDerWaalsContact C-N 3.34Å; S537-L539 PolarHBondContact O-N 3.39Å; L539-D541 VanDerWaalsContact C-N 3.34Å; L539-L542 HydrophobicContact CD2-CD2 4.44Å; L539-L542 PolarHBondContact O-N 3.38Å; L539-P543 VanDerWaalsContact O-CD 3.26Å; L539-P543 WeakPolarHBondContact O-CD 3.26Å
540A75.1Confident77.5Confident67 Ų6751.3 Ų51.355%0.55429%0.287SS*.Hα-helixtrans-68.7-34.9178.800000112.2V536 S537 V538V536-A540 WeakPolarHBondContact O-CB 3.42Å; V536-A540 PolarHBondContact O-N 3.42Å; S537-A540 PolarHBondContact O-N 2.89Å; V538-A540 PolarHBondContact O-N 2.85Å
541D71.2Confident78.5Confident35 Ų3548.1 Ų48.119%0.18727%0.268CS..Hα-helixtrans-93-8.9-179.8-64-38.7000113S537 V538 L539 S544 N545 R665S537-D541 PolarHBondContact O-N 3.17Å; S537-D541 VanDerWaalsContact O-N 3.13Å; V538-D541 PolarHBondContact O-N 3.35Å; L539-D541 VanDerWaalsContact C-N 3.34Å; D541-S544 PolarHBondContact O-N 3.26Å; D541-S544 PolarHBondContact O-OG 3.42Å; D541-N545 WeakPolarHBondContact O-CB 3.37Å; D541-N545 VanDerWaalsContact O-CG 3.28Å; D541-N545 PolarHBondContact O-N 3.04Å; D541-N545 VanDerWaalsContact O-N 3.16Å; D541-N545 PolarHBondContact O-ND2 3.47Å; D541-R665 IonicContact OD2-CZ 3.17Å; D541-R665 IonicContact OD2-NH1 2.69Å; D541-R665 PolarHBondContact OD2-NH1 3.32Å; D541-R665 IonicContact OD2-NH2 2.63Å; D541-R665 PolarHBondContact OD2-NH2 3.14Å
542L78.2Confident79.5Confident25 Ų2540.7 Ų40.713%0.13124%0.241CC..Hα-helixtrans-61.2-44.5-179.4-171.666.8000112.7V538 L539 S544 N545 L546 I658V538-L542 VanDerWaalsContact O-CB 3.3Å; V538-L542 WeakPolarHBondContact O-CB 3.2Å; V538-L542 PolarHBondContact O-N 3.23Å; L539-L542 HydrophobicContact CD2-CD2 4.44Å; L539-L542 PolarHBondContact O-N 3.38Å; L542-S544 PolarHBondContact O-N 3.03Å; L542-N545 PolarHBondContact O-N 3.34Å; L542-L546 HydrophobicContact CD1-CD1 3.66Å; L542-L546 HydrophobicContact CD1-CG 3.73Å; L542-L546 HydrophobicContact CD2-CD1 3.87Å; L542-L546 HydrophobicContact CG-CD1 3.49Å; L542-L546 VanDerWaalsContact CG-CD1 3.49Å; L542-L546 HydrophobicContact CG-CG 3.97Å; L542-L546 VanDerWaalsContact O-CB 3.27Å; L542-L546 WeakPolarHBondContact O-CB 3.45Å; L542-L546 PolarHBondContact O-N 3.23Å; L542-I658 HydrophobicContact CD1-CG1 3.91Å; L542-I658 HydrophobicContact CD2-CD1 4.44Å; L542-I658 HydrophobicContact CD2-CG1 4.14Å
543P76.8Confident80.4Confident77 Ų7741 Ų4150%0.524%0.241SC..Hα-helixtrans-60.7-40.6179.1-25.435.2000113.6L539 N545 T547L539-P543 VanDerWaalsContact O-CD 3.26Å; L539-P543 WeakPolarHBondContact O-CD 3.26Å; P543-N545 VanDerWaalsContact C-N 3.34Å; P543-T547 PolarHBondContact O-N 3.04Å; P543-T547 PolarHBondContact O-OG1 3.39Å
544S77.6Confident81.6Confident70 Ų7041.2 Ų41.249%0.4925%0.248SC..Hα-helixtrans-66.2-38.7177.141.20000111.9D541 L542 T547D541-S544 PolarHBondContact O-N 3.26Å; D541-S544 PolarHBondContact O-OG 3.42Å; L542-S544 PolarHBondContact O-N 3.03Å; S544-T547 PolarHBondContact O-OG1 2.91Å
545N75.5Confident82.8Confident19 Ų1940.7 Ų40.710%0.10225%0.246CC..Hα-helixtrans-75.2-39.8-179-69.8-17.2000111.4D541 L542 P543 T547 P548 F657D541-N545 WeakPolarHBondContact O-CB 3.37Å; D541-N545 VanDerWaalsContact O-CG 3.28Å; D541-N545 PolarHBondContact O-N 3.04Å; D541-N545 VanDerWaalsContact O-N 3.16Å; D541-N545 PolarHBondContact O-ND2 3.47Å; L542-N545 PolarHBondContact O-N 3.34Å; P543-N545 VanDerWaalsContact C-N 3.34Å; N545-T547 VanDerWaalsContact C-N 3.34Å; N545-T547 PolarHBondContact O-N 2.96Å; N545-P548 WeakPolarHBondContact O-CD 3.49Å; N545-F657 HydrophobicContact CB-CE1 3.58Å; N545-F657 HydrophobicContact CB-CZ 3.62Å; N545-F657 WeakPolarHBondContact O-CZ 3.27Å
546L84.4Confident83.6Confident11 Ų1138.9 Ų38.96%0.05824%0.236CC..Hα-helixtrans-80-8.4178-79.6-179.1000114.5L542 P548 V549 L550 T654 F657 I658L542-L546 HydrophobicContact CD1-CD1 3.66Å; L542-L546 HydrophobicContact CD1-CG 3.73Å; L542-L546 HydrophobicContact CD2-CD1 3.87Å; L542-L546 HydrophobicContact CG-CD1 3.49Å; L542-L546 VanDerWaalsContact CG-CD1 3.49Å; L542-L546 HydrophobicContact CG-CG 3.97Å; L542-L546 VanDerWaalsContact O-CB 3.27Å; L542-L546 WeakPolarHBondContact O-CB 3.45Å; L542-L546 PolarHBondContact O-N 3.23Å; L546-P548 VanDerWaalsContact C-CD 3.4Å; L546-P548 VanDerWaalsContact C-N 3.31Å; L546-P548 VanDerWaalsContact O-N 3.1Å; L546-V549 HydrophobicContact CD2-CB 4.27Å; L546-V549 HydrophobicContact CD2-CG2 4.43Å; L546-V549 PolarHBondContact O-N 2.98Å; L546-L550 HydrophobicContact CB-CD1 3.94Å; L546-L550 HydrophobicContact CB-CG 4.06Å; L546-L550 PolarHBondContact O-N 3.06Å; L546-T654 HydrophobicContact CD1-CG2 4.29Å; L546-T654 HydrophobicContact CD2-CG2 4.09Å; L546-F657 HydrophobicContact CD2-CB 3.79Å; L546-F657 HydrophobicContact CD2-CD1 3.11Å; L546-F657 HydrophobicContact CD2-CD2 4.32Å; L546-F657 HydrophobicContact CD2-CE1 3.75Å; L546-F657 HydrophobicContact CD2-CG 3.47Å; L546-F657 VanDerWaalsContact CD2-CG 3.47Å; L546-F657 HydrophobicContact CG-CD1 3.68Å; L546-F657 HydrophobicContact CG-CE1 3.9Å; L546-F657 HydrophobicContact CG-CG 4.48Å; L546-I658 HydrophobicContact CD1-CD1 4.31Å; L546-I658 HydrophobicContact CD1-CG1 4.05Å
547T85.7Confident84.6Confident84 Ų8436.8 Ų36.852%0.51522%0.221SC..Hα-helixtrans-43.4-47.1-177.8-67.20000114P543 S544 N545 G551P543-T547 PolarHBondContact O-N 3.04Å; P543-T547 PolarHBondContact O-OG1 3.39Å; S544-T547 PolarHBondContact O-OG1 2.91Å; N545-T547 VanDerWaalsContact C-N 3.34Å; N545-T547 PolarHBondContact O-N 2.96Å; T547-G551 PolarHBondContact O-N 3.43Å
548P85.3Confident85.8Confident12 Ų1236.3 Ų36.38%0.07822%0.217CC..Hα-helixtrans-71.4-32179.528.8-35.7000114.3L172 M173 V176 N545 L546 I552L172-P548 HydrophobicContact CB-CB 3.61Å; L172-P548 HydrophobicContact CB-CG 4.11Å; M173-P548 HydrophobicContact CG-CB 4.23Å; V176-P548 HydrophobicContact CG2-CB 3.93Å; V176-P548 HydrophobicContact CG2-CG 4.29Å; N545-P548 WeakPolarHBondContact O-CD 3.49Å; L546-P548 VanDerWaalsContact C-CD 3.4Å; L546-P548 VanDerWaalsContact C-N 3.31Å; L546-P548 VanDerWaalsContact O-N 3.1Å; P548-I552 WeakPolarHBondContact O-CG1 3.27Å; P548-I552 PolarHBondContact O-N 2.85Å
549V87.7Confident86.8Confident1 Ų139.6 Ų39.61%0.00623%0.231CC..Hα-helixtrans-71.4-45.8176-177.80000109.8V176 L546 G551 I552 L553 T654 F657V176-V549 HydrophobicContact CG1-CG2 4.45Å; V176-V549 HydrophobicContact CG2-CG2 4.34Å; L546-V549 HydrophobicContact CD2-CB 4.27Å; L546-V549 HydrophobicContact CD2-CG2 4.43Å; L546-V549 PolarHBondContact O-N 2.98Å; V549-G551 VanDerWaalsContact C-N 3.28Å; V549-G551 PolarHBondContact O-N 3.47Å; V549-I552 PolarHBondContact O-N 3.21Å; V549-I552 VanDerWaalsContact O-N 3.1Å; V549-L553 PolarHBondContact O-N 3.44Å; V549-T654 VanDerWaalsContact CG1-OG1 3.24Å; V549-T654 WeakPolarHBondContact CG1-OG1 3.27Å; V549-F657 HydrophobicContact CG2-CD2 4.27Å
550L90.2Very high87.6Confident67 Ų6735.8 Ų35.835%0.35121%0.209SC..Hα-helixtrans-59.8-38.1173.4-69.2173.1000111.7L546 I552 L553 I554L546-L550 HydrophobicContact CB-CD1 3.94Å; L546-L550 HydrophobicContact CB-CG 4.06Å; L546-L550 PolarHBondContact O-N 3.06Å; L550-I552 VanDerWaalsContact C-N 3.34Å; L550-I552 PolarHBondContact O-N 3.32Å; L550-L553 HydrophobicContact CD2-CD2 4.46Å; L550-L553 WeakPolarHBondContact O-CB 3.25Å; L550-L553 PolarHBondContact O-N 3.08Å; L550-I554 WeakPolarHBondContact O-CB 3.32Å; L550-I554 VanDerWaalsContact O-CG1 3.27Å; L550-I554 WeakPolarHBondContact O-CG1 3.35Å; L550-I554 PolarHBondContact O-N 3.06Å
551G92Very high88.7Confident10 Ų1032.6 Ų32.610%0.10318%0.183CC..Hα-helixtrans-60.9-40.2173.800000112.9M173 T547 V549 S555M173-G551 VanDerWaalsContact CE-O 3.29Å; M173-G551 WeakPolarHBondContact CE-O 3.32Å; T547-G551 PolarHBondContact O-N 3.43Å; V549-G551 VanDerWaalsContact C-N 3.28Å; V549-G551 PolarHBondContact O-N 3.47Å; G551-S555 PolarHBondContact O-N 3.46Å; G551-S555 VanDerWaalsContact O-N 3.08Å; G551-S555 PolarHBondContact O-OG 2.94Å; G551-S555 VanDerWaalsContact O-OG 3.14Å
552I93.3Very high89.8Confident13 Ų1331.1 Ų31.17%0.06718%0.175CC..Hα-helixtrans-69.3-39.6175.1-65.1-63.3000110.9I167 M173 V176 L177 P548 V549 L550 S555 A556 I650I167-I552 HydrophobicContact CD1-CD1 4.19Å; I167-I552 HydrophobicContact CG1-CD1 4.05Å; M173-I552 HydrophobicContact CB-CD1 3.98Å; M173-I552 HydrophobicContact CB-CG1 4.41Å; M173-I552 HydrophobicContact CE-CD1 4.08Å; V176-I552 HydrophobicContact CB-CG1 4.25Å; V176-I552 HydrophobicContact CG1-CG1 3.93Å; L177-I552 HydrophobicContact CB-CD1 4.44Å; P548-I552 WeakPolarHBondContact O-CG1 3.27Å; P548-I552 PolarHBondContact O-N 2.85Å; V549-I552 PolarHBondContact O-N 3.21Å; V549-I552 VanDerWaalsContact O-N 3.1Å; L550-I552 VanDerWaalsContact C-N 3.34Å; L550-I552 PolarHBondContact O-N 3.32Å; I552-S555 WeakPolarHBondContact O-CB 3.22Å; I552-S555 PolarHBondContact O-N 2.96Å; I552-A556 PolarHBondContact O-N 3.48Å; I552-I650 HydrophobicContact CG2-CD1 4.09Å
553L94Very high90.7Very high22 Ų2232.1 Ų32.112%0.11518%0.181CC..Hα-helixtrans-60.7-48.8174.9-175.162.8000111.4V549 L550 S555 A556 F557 V646 I650V549-L553 PolarHBondContact O-N 3.44Å; L550-L553 HydrophobicContact CD2-CD2 4.46Å; L550-L553 WeakPolarHBondContact O-CB 3.25Å; L550-L553 PolarHBondContact O-N 3.08Å; L553-S555 VanDerWaalsContact C-N 3.31Å; L553-S555 PolarHBondContact O-N 3.24Å; L553-A556 WeakPolarHBondContact O-CA 3.25Å; L553-A556 WeakPolarHBondContact O-CB 3.45Å; L553-A556 PolarHBondContact O-N 3.02Å; L553-F557 HydrophobicContact CD1-CD2 3.91Å; L553-F557 HydrophobicContact CD1-CE2 3.69Å; L553-F557 HydrophobicContact CD2-CE2 4.45Å; L553-F557 HydrophobicContact CG-CD2 3.94Å; L553-F557 HydrophobicContact CG-CE2 3.91Å; L553-F557 WeakPolarHBondContact O-CD2 3.26Å; L553-F557 PolarHBondContact O-N 2.78Å; L553-V646 HydrophobicContact CD1-CG1 3.79Å; L553-I650 HydrophobicContact CB-CG2 4.11Å; L553-I650 HydrophobicContact CD1-CB 4.49Å; L553-I650 HydrophobicContact CD1-CG2 3.86Å
554I94.6Very high91.5Very high96 Ų9628.5 Ų28.549%0.49216%0.157SC..Hα-helixtrans-59.2-42.8177-69.2166.2000110.7F65 L550 A556 F557 Y558F65-I554 HydrophobicContact CD1-CG2 4.18Å; F65-I554 HydrophobicContact CE1-CG2 4.14Å; L550-I554 WeakPolarHBondContact O-CB 3.32Å; L550-I554 VanDerWaalsContact O-CG1 3.27Å; L550-I554 WeakPolarHBondContact O-CG1 3.35Å; L550-I554 PolarHBondContact O-N 3.06Å; I554-A556 VanDerWaalsContact C-N 3.3Å; I554-A556 PolarHBondContact O-N 3.4Å; I554-F557 PolarHBondContact O-N 2.97Å; I554-Y558 VanDerWaalsContact O-CB 3.26Å; I554-Y558 WeakPolarHBondContact O-CB 3.48Å; I554-Y558 PolarHBondContact O-N 2.9Å
555S95Very high92.4Very high6 Ų625.4 Ų25.44%0.04214%0.135CC..Hα-helixtrans-60.2-38.1173.9-71.70000112.9G551 I552 L553 F559G551-S555 PolarHBondContact O-N 3.46Å; G551-S555 VanDerWaalsContact O-N 3.08Å; G551-S555 PolarHBondContact O-OG 2.94Å; G551-S555 VanDerWaalsContact O-OG 3.14Å; I552-S555 WeakPolarHBondContact O-CB 3.22Å; I552-S555 PolarHBondContact O-N 2.96Å; L553-S555 VanDerWaalsContact C-N 3.31Å; L553-S555 PolarHBondContact O-N 3.24Å; S555-F559 WeakPolarHBondContact O-CB 3.29Å; S555-F559 PolarHBondContact O-N 2.81Å
556A95.7Very high93.2Very high6 Ų625.9 Ų25.95%0.0514%0.137CC..Hα-helixtrans-67-49.1176.600000111.6I552 L553 I554 Y558 F559 Y560 F645 V646 I650I552-A556 PolarHBondContact O-N 3.48Å; L553-A556 WeakPolarHBondContact O-CA 3.25Å; L553-A556 WeakPolarHBondContact O-CB 3.45Å; L553-A556 PolarHBondContact O-N 3.02Å; I554-A556 VanDerWaalsContact C-N 3.3Å; I554-A556 PolarHBondContact O-N 3.4Å; A556-Y558 VanDerWaalsContact C-N 3.3Å; A556-Y558 PolarHBondContact O-N 3.43Å; A556-F559 PolarHBondContact O-N 2.83Å; A556-Y560 WeakPolarHBondContact O-CD2 3.35Å; A556-Y560 PolarHBondContact O-N 2.88Å; A556-F645 HydrophobicContact CB-CD1 4.14Å; A556-F645 HydrophobicContact CB-CE1 3.65Å; A556-V646 HydrophobicContact CB-CG2 4.18Å; A556-I650 HydrophobicContact CB-CD1 3.91Å
557F97.2Very high93.7Very high21 Ų2129.9 Ų29.99%0.09216%0.158CC..Hα-helixtrans-55.2-46.6173.8-92.3-92.6000111.4L553 I554 A561 L608 L611 W612 M615 W642L553-F557 HydrophobicContact CD1-CD2 3.91Å; L553-F557 HydrophobicContact CD1-CE2 3.69Å; L553-F557 HydrophobicContact CD2-CE2 4.45Å; L553-F557 HydrophobicContact CG-CD2 3.94Å; L553-F557 HydrophobicContact CG-CE2 3.91Å; L553-F557 WeakPolarHBondContact O-CD2 3.26Å; L553-F557 PolarHBondContact O-N 2.78Å; I554-F557 PolarHBondContact O-N 2.97Å; F557-A561 WeakPolarHBondContact O-CB 3.32Å; F557-A561 PolarHBondContact O-N 3Å; F557-L608 HydrophobicContact CB-CD2 3.95Å; F557-L608 HydrophobicContact CD1-CD2 4.01Å; F557-L608 HydrophobicContact CG-CD2 4.46Å; F557-L611 HydrophobicContact CD1-CB 3.88Å; F557-L611 HydrophobicContact CD1-CD1 4.37Å; F557-L611 HydrophobicContact CE1-CB 3.75Å; F557-W612 HydrophobicContact CE1-CB 4.28Å; F557-W612 HydrophobicContact CZ-CE3 4.34Å; F557-M615 HydrophobicContact CE2-SD 3.83Å; F557-M615 HydrophobicContact CZ-CB 4.5Å; F557-M615 HydrophobicContact CZ-CE 4.29Å; F557-M615 HydrophobicContact CZ-SD 3.77Å; F557-W642 AromaticContact CD1-CH2 3.92Å; F557-W642 HydrophobicContact CD1-CH2 3.92Å; F557-W642 AromaticContact CD2-CH2 3.91Å; F557-W642 HydrophobicContact CD2-CH2 3.91Å; F557-W642 AromaticContact CE1-CH2 3.89Å; F557-W642 HydrophobicContact CE1-CH2 3.89Å; F557-W642 HydrophobicContact CE1-CZ2 4.11Å; F557-W642 AromaticContact CE2-CH2 3.88Å; F557-W642 HydrophobicContact CE2-CH2 3.88Å; F557-W642 HydrophobicContact CE2-CZ2 4.28Å; F557-W642 AromaticContact CG-CH2 3.94Å; F557-W642 HydrophobicContact CG-CH2 3.94Å; F557-W642 AromaticContact CZ-CH2 3.86Å; F557-W642 HydrophobicContact CZ-CH2 3.86Å; F557-W642 AromaticContact CZ-CZ2 3.95Å; F557-W642 HydrophobicContact CZ-CZ2 3.95Å
558Y96.8Very high94.1Very high5 Ų526.3 Ų26.32%0.0214%0.136CC..Hα-helixtrans-60.7-47.9179.9-172.2-77.3000112.1F65 P68 R159 R162 P163 I554 A556 L562 F604F65-Y558 AromaticContact CD1-CD2 3.86Å; F65-Y558 HydrophobicContact CD1-CD2 3.86Å; F65-Y558 HydrophobicContact CD1-CE2 4.31Å; F65-Y558 HydrophobicContact CD1-CG 4.45Å; F65-Y558 HydrophobicContact CE1-CD2 4.23Å; F65-Y558 HydrophobicContact CE1-CG 4.36Å; F65-Y558 HydrophobicContact CG-CD2 4.43Å; F65-Y558 HydrophobicContact CG-CE2 4.43Å; P68-Y558 HydrophobicContact CG-CE2 3.6Å; P68-Y558 WeakPolarHBondContact CG-OH 3.43Å; R159-Y558 VanDerWaalsContact O-CE1 3.32Å; R159-Y558 WeakPolarHBondContact O-CE1 3.41Å; R162-Y558 HydrophobicContact CB-CE1 4.07Å; R162-Y558 VanDerWaalsContact CD-OH 3.28Å; R162-Y558 WeakPolarHBondContact CD-OH 3.3Å; R162-Y558 PolarHBondContact NH1-OH 3.31Å; R162-Y558 VanDerWaalsContact NH1-OH 3.11Å; P163-Y558 HydrophobicContact CG-CD1 3.39Å; P163-Y558 HydrophobicContact CG-CE1 4.03Å; P163-Y558 HydrophobicContact CG-CG 4.12Å; I554-Y558 VanDerWaalsContact O-CB 3.26Å; I554-Y558 WeakPolarHBondContact O-CB 3.48Å; I554-Y558 PolarHBondContact O-N 2.9Å; A556-Y558 VanDerWaalsContact C-N 3.3Å; A556-Y558 PolarHBondContact O-N 3.43Å; Y558-L562 HydrophobicContact CD1-CD1 3.76Å; Y558-L562 HydrophobicContact CE1-CD1 3.19Å; Y558-L562 HydrophobicContact CE1-CG 4.25Å; Y558-L562 WeakPolarHBondContact O-CG 3.39Å; Y558-L562 PolarHBondContact O-N 3.39Å; Y558-F604 HydrophobicContact CD2-CE2 4.18Å; Y558-F604 AromaticContact CD2-CZ 3.66Å; Y558-F604 HydrophobicContact CD2-CZ 3.66Å; Y558-F604 HydrophobicContact CE2-CE2 4.38Å; Y558-F604 AromaticContact CE2-CZ 3.97Å; Y558-F604 HydrophobicContact CE2-CZ 3.97Å; Y558-F604 HydrophobicContact CG-CZ 4.37Å
559F96.2Very high94.4Very high81 Ų8128.3 Ų28.336%0.35514%0.144SC..Hα-helixtrans-64.1-49.2179.7179.6-93.8000112L160 S555 A556 L563L160-F559 HydrophobicContact CB-CD2 4.46Å; L160-F559 HydrophobicContact CB-CE2 4.35Å; L160-F559 HydrophobicContact CD2-CD2 4.14Å; L160-F559 HydrophobicContact CD2-CE2 4.24Å; S555-F559 WeakPolarHBondContact O-CB 3.29Å; S555-F559 PolarHBondContact O-N 2.81Å; A556-F559 PolarHBondContact O-N 2.83Å; F559-L563 HydrophobicContact CE1-CD2 4.09Å; F559-L563 WeakPolarHBondContact O-CB 3.46Å; F559-L563 PolarHBondContact O-N 2.74Å
560Y97.2Very high94.6Very high23 Ų2332.1 Ų32.19%0.0916%0.164CC..Hα-helixtrans-68.1-36.5179.9-86.2-94.6000112.2A556 L562 L563 G564 Y638 S641 W642 F645A556-Y560 WeakPolarHBondContact O-CD2 3.35Å; A556-Y560 PolarHBondContact O-N 2.88Å; Y560-L562 PolarHBondContact O-N 3.34Å; Y560-L563 PolarHBondContact O-N 3.25Å; Y560-G564 PolarHBondContact O-N 3.04Å; Y560-Y638 HydrophobicContact CD1-CD2 4.39Å; Y560-Y638 AromaticContact CD1-CE2 3.74Å; Y560-Y638 HydrophobicContact CD1-CE2 3.74Å; Y560-Y638 AromaticContact CD1-CZ 3.9Å; Y560-Y638 HydrophobicContact CE1-CE2 4.37Å; Y560-Y638 PolarHBondContact O-OH 3.13Å; Y560-S641 PolarHBondContact OH-O 3.29Å; Y560-S641 PolarHBondContact OH-OG 3.1Å; Y560-W642 HydrophobicContact CD1-CB 4.18Å; Y560-W642 AromaticContact CD1-CE3 3.73Å; Y560-W642 HydrophobicContact CD1-CE3 3.73Å; Y560-W642 AromaticContact CD2-CE3 3.72Å; Y560-W642 HydrophobicContact CD2-CE3 3.72Å; Y560-W642 AromaticContact CD2-CZ3 3.95Å; Y560-W642 HydrophobicContact CD2-CZ3 3.95Å; Y560-W642 HydrophobicContact CE1-CB 3.93Å; Y560-W642 HydrophobicContact CE1-CE3 4.23Å; Y560-W642 HydrophobicContact CE2-CE3 4.23Å; Y560-W642 AromaticContact CG-CE3 3.44Å; Y560-W642 HydrophobicContact CG-CE3 3.44Å; Y560-W642 VanDerWaalsContact CG-CE3 3.44Å; Y560-W642 AromaticContact CG-CZ3 3.82Å; Y560-W642 HydrophobicContact CG-CZ3 3.82Å; Y560-F645 AromaticContact CE2-CD1 3.99Å; Y560-F645 HydrophobicContact CE2-CD1 3.99Å
561A97.1Very high94.7Very high0 Ų030.8 Ų30.80%016%0.159CC..Hα-helixtrans-60.8-48.217800000110.6F557 G564 M565 F604 L608 L611F557-A561 WeakPolarHBondContact O-CB 3.32Å; F557-A561 PolarHBondContact O-N 3Å; A561-G564 PolarHBondContact O-N 3.05Å; A561-M565 WeakPolarHBondContact O-CB 3.29Å; A561-M565 VanDerWaalsContact O-CG 3.24Å; A561-M565 WeakPolarHBondContact O-CG 3.38Å; A561-M565 PolarHBondContact O-N 3.01Å; A561-F604 HydrophobicContact CB-CD2 4.05Å; A561-F604 HydrophobicContact CB-CE2 3.8Å; A561-L608 HydrophobicContact CB-CD2 4.16Å; A561-L611 HydrophobicContact CB-CD1 3.86Å
562L95.9Very high94.7Very high4 Ų431 Ų312%0.02116%0.157CC..Hα-helixtrans-67.2-38.6177.2-69176.4000112.9R159 L160 Y558 Y560 M565 N566 F604R159-L562 HydrophobicContact CB-CD1 3.59Å; R159-L562 HydrophobicContact CB-CD2 4.37Å; L160-L562 HydrophobicContact CD2-CB 3.56Å; L160-L562 HydrophobicContact CD2-CD1 4.22Å; Y558-L562 HydrophobicContact CD1-CD1 3.76Å; Y558-L562 HydrophobicContact CE1-CD1 3.19Å; Y558-L562 HydrophobicContact CE1-CG 4.25Å; Y558-L562 WeakPolarHBondContact O-CG 3.39Å; Y558-L562 PolarHBondContact O-N 3.39Å; Y560-L562 PolarHBondContact O-N 3.34Å; L562-M565 HydrophobicContact CD2-SD 4.29Å; L562-M565 PolarHBondContact O-N 3.15Å; L562-N566 VanDerWaalsContact O-CG 3.27Å; L562-N566 PolarHBondContact O-N 3.35Å; L562-N566 PolarHBondContact O-ND2 2.96Å; L562-F604 HydrophobicContact CD2-CD2 4.09Å; L562-F604 HydrophobicContact CD2-CE2 4.32Å; L562-F604 HydrophobicContact CG-CD2 4.48Å; L562-F604 HydrophobicContact CG-CE2 4.27Å
563L95.5Very high94.4Very high47 Ų4737.8 Ų37.825%0.24619%0.186CC..Hα-helixtrans-62.7-45.3174.8-176.763.7000110.7F559 Y560 N566 L567 Y638F559-L563 HydrophobicContact CE1-CD2 4.09Å; F559-L563 WeakPolarHBondContact O-CB 3.46Å; F559-L563 PolarHBondContact O-N 2.74Å; Y560-L563 PolarHBondContact O-N 3.25Å; L563-N566 PolarHBondContact O-N 2.98Å; L563-N566 VanDerWaalsContact O-N 3.17Å; L563-L567 HydrophobicContact CD1-CD1 4.04Å; L563-L567 HydrophobicContact CD1-CG 4.33Å; L563-L567 HydrophobicContact CG-CD1 3.91Å; L563-L567 WeakPolarHBondContact O-CB 3.29Å; L563-L567 VanDerWaalsContact O-CG 3.29Å; L563-L567 WeakPolarHBondContact O-CG 3.45Å; L563-L567 PolarHBondContact O-N 3.09Å; L563-Y638 HydrophobicContact CB-CE2 4.36Å; L563-Y638 HydrophobicContact CD2-CD2 4.16Å; L563-Y638 HydrophobicContact CD2-CE2 4.04Å; L563-Y638 HydrophobicContact CG-CD2 4.43Å; L563-Y638 HydrophobicContact CG-CE2 4.11Å
564G95.6Very high94Very high0 Ų039.9 Ų39.90%019%0.193CC..Hα-helixtrans-61.8-42.5175.300000112.3Y560 A561 N566 L567 F568Y560-G564 PolarHBondContact O-N 3.04Å; A561-G564 PolarHBondContact O-N 3.05Å; G564-N566 VanDerWaalsContact C-N 3.29Å; G564-N566 PolarHBondContact O-N 3.46Å; G564-L567 PolarHBondContact O-N 2.89Å; G564-F568 WeakPolarHBondContact O-CA 3.33Å; G564-F568 WeakPolarHBondContact O-CB 3.21Å; G564-F568 PolarHBondContact O-N 3.09Å
565M94.9Very high93.3Very high6 Ų642 Ų423%0.0320%0.2CC..Hα-helixtrans-62.2-34.3172.7-71.9174.969.200112.8P73 Y154 A561 L562 H569 F601 F604 S607P73-M565 HydrophobicContact CG-CE 3.59Å; Y154-M565 PolarHBondContact OH-O 3.43Å; A561-M565 WeakPolarHBondContact O-CB 3.29Å; A561-M565 VanDerWaalsContact O-CG 3.24Å; A561-M565 WeakPolarHBondContact O-CG 3.38Å; A561-M565 PolarHBondContact O-N 3.01Å; L562-M565 HydrophobicContact CD2-SD 4.29Å; L562-M565 PolarHBondContact O-N 3.15Å; M565-H569 WeakPolarHBondContact O-CB 3.38Å; M565-F601 WeakPolarHBondContact CA-O 3.23Å; M565-F604 VanDerWaalsContact SD-CA 3.55Å; M565-F604 HydrophobicContact SD-CB 3.97Å; M565-F604 HydrophobicContact SD-CD2 4.16Å; M565-S607 WeakPolarHBondContact CG-OG 3.47Å
566N93.5Very high92.1Very high28 Ų2845.7 Ų45.715%0.1522%0.22CC..Hα-helixtrans-74.1-35.6176.5-71.9-24.4000112Y155 L562 L563 G564Y155-N566 HydrophobicContact CD1-CB 4.17Å; Y155-N566 HydrophobicContact CE1-CB 4.23Å; Y155-N566 WeakPolarHBondContact CE1-O 3.47Å; L562-N566 VanDerWaalsContact O-CG 3.27Å; L562-N566 PolarHBondContact O-N 3.35Å; L562-N566 PolarHBondContact O-ND2 2.96Å; L563-N566 PolarHBondContact O-N 2.98Å; L563-N566 VanDerWaalsContact O-N 3.17Å; G564-N566 VanDerWaalsContact C-N 3.29Å; G564-N566 PolarHBondContact O-N 3.46Å
567L93.9Very high90.4Very high95 Ų9546.8 Ų46.850%0.49723%0.227SC..Hα-helixtrans-87.1-33.7-175.4-67175.2000113.8L563 G564 Y638L563-L567 HydrophobicContact CD1-CD1 4.04Å; L563-L567 HydrophobicContact CD1-CG 4.33Å; L563-L567 HydrophobicContact CG-CD1 3.91Å; L563-L567 WeakPolarHBondContact O-CB 3.29Å; L563-L567 VanDerWaalsContact O-CG 3.29Å; L563-L567 WeakPolarHBondContact O-CG 3.45Å; L563-L567 PolarHBondContact O-N 3.09Å; G564-L567 PolarHBondContact O-N 2.89Å; L567-Y638 HydrophobicContact CD1-CD2 4.12Å
568F94.9Very high88.6Confident10 Ų1050.9 Ų50.94%0.04425%0.254CS..Hα-helixtrans-126.320-165-48.7-56000114.2G564 D570 V571 F601 Y627 V631 V635 Y638G564-F568 WeakPolarHBondContact O-CA 3.33Å; G564-F568 WeakPolarHBondContact O-CB 3.21Å; G564-F568 PolarHBondContact O-N 3.09Å; F568-D570 PolarHBondContact O-N 3.23Å; F568-V571 HydrophobicContact CB-CG2 4.33Å; F568-V571 WeakPolarHBondContact O-CG2 3.39Å; F568-F601 HydrophobicContact CB-CB 4.02Å; F568-F601 HydrophobicContact CB-CD2 3.82Å; F568-F601 HydrophobicContact CB-CG 4.25Å; F568-F601 AromaticContact CD2-CD2 3.63Å; F568-F601 HydrophobicContact CD2-CD2 3.63Å; F568-F601 AromaticContact CD2-CE2 3.78Å; F568-F601 HydrophobicContact CD2-CE2 3.78Å; F568-F601 HydrophobicContact CD2-CG 4.32Å; F568-F601 HydrophobicContact CE2-CE2 4.41Å; F568-F601 HydrophobicContact CG-CD2 4.13Å; F568-Y627 HydrophobicContact CB-CD1 4.09Å; F568-Y627 HydrophobicContact CB-CE1 3.73Å; F568-Y627 HydrophobicContact CD1-CD1 4.3Å; F568-Y627 HydrophobicContact CG-CD1 4.18Å; F568-Y627 HydrophobicContact CG-CE1 4.24Å; F568-V631 HydrophobicContact CD1-CG2 4.24Å; F568-V635 HydrophobicContact CE1-CG2 3.83Å; F568-V635 HydrophobicContact CZ-CG1 4.47Å; F568-V635 HydrophobicContact CZ-CG2 4.35Å; F568-Y638 AromaticContact CE2-CD1 3.66Å; F568-Y638 HydrophobicContact CE2-CD1 3.66Å; F568-Y638 HydrophobicContact CE2-CD2 4.02Å; F568-Y638 AromaticContact CE2-CE1 3.91Å; F568-Y638 HydrophobicContact CE2-CE1 3.91Å; F568-Y638 HydrophobicContact CE2-CE2 4.24Å; F568-Y638 AromaticContact CE2-CG 3.71Å; F568-Y638 HydrophobicContact CE2-CG 3.71Å; F568-Y638 HydrophobicContact CZ-CD1 4.24Å; F568-Y638 HydrophobicContact CZ-CG 4.04Å
569H91.6Very high86.6Confident54 Ų5458.4 Ų58.425%0.2530%0.295CS..THydrogen-bonded Turntrans-60.3132.8176-167.762.5000112.3Y154 M565 V571 N602Y154-H569 HydrophobicContact CE1-CB 4.21Å; Y154-H569 HydrophobicContact CE2-CB 4.48Å; Y154-H569 AromaticContact CE2-CD2 3.55Å; Y154-H569 AromaticContact CE2-CE1 3.75Å; Y154-H569 AromaticContact CE2-CG 3.75Å; Y154-H569 AromaticContact CE2-ND1 3.87Å; Y154-H569 AromaticContact CE2-NE2 3.54Å; Y154-H569 AromaticContact CZ-CD2 3.72Å; Y154-H569 AromaticContact CZ-CG 3.46Å; Y154-H569 VanDerWaalsContact CZ-CG 3.46Å; Y154-H569 AromaticContact CZ-ND1 3.69Å; Y154-H569 VanDerWaalsContact OH-CB 3.26Å; Y154-H569 WeakPolarHBondContact OH-CB 3.47Å; Y154-H569 PolarHBondContact OH-ND1 2.99Å; M565-H569 WeakPolarHBondContact O-CB 3.38Å; H569-V571 PolarHBondContact O-N 3.21Å; H569-N602 PolarHBondContact CE1-O 2.86Å; H569-N602 PolarHBondContact ND1-O 3.49Å
570D90.7Very high84.7Confident81 Ų8157.4 Ų57.443%0.43330%0.298SS..THydrogen-bonded Turntrans53.521.9175.1-84.7-6.5000114.2F568 K573 N602F568-D570 PolarHBondContact O-N 3.23Å; D570-K573 WeakPolarHBondContact O-CE 3.4Å; D570-K573 WeakPolarHBondContact O-CG 3.5Å; D570-N602 WeakPolarHBondContact CA-OD1 3.07Å; D570-N602 PolarHBondContact N-OD1 3.29Å; D570-N602 PolarHBondContact OD1-ND2 3.49Å
571V92.8Very high82.9Confident39 Ų3962.2 Ų62.224%0.23634%0.335CS..  trans-71.5-46.6177.7165.80000110.6F568 H569 Y627 A630 V631F568-V571 HydrophobicContact CB-CG2 4.33Å; F568-V571 WeakPolarHBondContact O-CG2 3.39Å; H569-V571 PolarHBondContact O-N 3.21Å; V571-Y627 HydrophobicContact CB-CE1 4.46Å; V571-Y627 HydrophobicContact CG1-CD1 4.08Å; V571-Y627 HydrophobicContact CG1-CE1 4.34Å; V571-A630 HydrophobicContact CG1-CB 3.28Å; V571-V631 HydrophobicContact CB-CG2 4.34Å; V571-V631 HydrophobicContact CG1-CG2 3.48Å; V571-V631 VanDerWaalsContact CG1-CG2 3.48Å; V571-V631 HydrophobicContact CG2-CG2 3.84Å
572I92.2Very high81.1Confident14 Ų1467.9 Ų67.97%0.07237%0.365CS..SBendtrans-84.4116.8176.4-58-60000108.5I82 Y591 W597 A626 Y627 A630I82-I572 HydrophobicContact CD1-CB 4.46Å; I82-I572 HydrophobicContact CD1-CG2 4.2Å; I572-Y591 HydrophobicContact CG2-CE1 3.78Å; I572-W597 HydrophobicContact CG2-CE3 4.18Å; I572-W597 HydrophobicContact CG2-CZ3 4.1Å; I572-A626 HydrophobicContact CD1-CB 4.44Å; I572-Y627 HydrophobicContact CG1-CE1 3.97Å; I572-Y627 HydrophobicContact CG1-CE2 4.37Å; I572-A630 HydrophobicContact CD1-CB 4.2Å
573K88Confident79.7Confident156 Ų15672.8 Ų72.868%0.67840%0.397SS*.  trans-121.8137.2179.9-62.2-175.5-174.9-1790110.6D570D570-K573 WeakPolarHBondContact O-CE 3.4Å; D570-K573 WeakPolarHBondContact O-CG 3.5Å
574Y85.3Confident78.3Confident65 Ų6574.5 Ų74.526%0.25540%0.404SS..  trans-89.7116.4169.9-179.6-110.2000110.3R83 N576 W597R83-Y574 HydrophobicContact CB-CD1 4.15Å; R83-Y574 HydrophobicContact CB-CE1 4.32Å; R83-Y574 HydrophobicContact CB-CG 4.46Å; R83-Y574 HydrophobicContact CG-CD1 3.79Å; R83-Y574 HydrophobicContact CG-CD2 3.79Å; R83-Y574 HydrophobicContact CG-CE1 4.03Å; R83-Y574 HydrophobicContact CG-CE2 4.07Å; R83-Y574 HydrophobicContact CG-CG 3.65Å; Y574-N576 HydrophobicContact CD1-CB 4.29Å; Y574-N576 HydrophobicContact CE1-CB 3.65Å; Y574-W597 HydrophobicContact CD2-CD2 4.27Å; Y574-W597 AromaticContact CD2-CE2 3.99Å; Y574-W597 HydrophobicContact CD2-CE3 4.37Å; Y574-W597 AromaticContact CD2-CH2 3.91Å; Y574-W597 HydrophobicContact CD2-CH2 3.91Å; Y574-W597 AromaticContact CD2-CZ2 3.81Å; Y574-W597 HydrophobicContact CD2-CZ2 3.81Å; Y574-W597 HydrophobicContact CD2-CZ3 4.21Å; Y574-W597 HydrophobicContact CE2-CZ2 4.28Å
575H79.4Confident77.3Confident140 Ų14082 Ų8265%0.64844%0.442SS*.  trans-98102.4172.6-169.975.2000109.3S577H575-S577 PolarHBondContact O-N 2.91Å; H575-S577 VanDerWaalsContact O-N 3.09Å
576N69.9Low76.8Confident84 Ų8484.8 Ų84.845%0.44945%0.453SS..  trans-73.7102.4173.9-166.9-1.7000108.9Y574 T578Y574-N576 HydrophobicContact CD1-CB 4.29Å; Y574-N576 HydrophobicContact CE1-CB 3.65Å; N576-T578 PolarHBondContact O-N 3.21Å
577S61.2Low76.2Confident29 Ų2991 Ų9120%0.20348%0.481CS..  trans-75.565.817868.40000110.7H575 N579 S580 Q584H575-S577 PolarHBondContact O-N 2.91Å; H575-S577 VanDerWaalsContact O-N 3.09Å; S577-N579 PolarHBondContact O-N 3.33Å; S577-S580 VanDerWaalsContact CB-OG 3.23Å; S577-S580 WeakPolarHBondContact CB-OG 3.45Å; S577-S580 PolarHBondContact O-OG 3.41Å; S577-S580 PolarHBondContact OG-OG 3.48Å; S577-Q584 WeakPolarHBondContact OG-CG 3.49Å
578T57.7Low75.9Confident108 Ų10891.6 Ų91.666%0.66349%0.492SS*.THydrogen-bonded Turntrans-69.2-11.9176.339.50000112.9N576N576-T578 PolarHBondContact O-N 3.21Å
579N56.3Low75.4Confident163 Ų16393.2 Ų93.287%0.87251%0.512SS*.THydrogen-bonded Turntrans-106.94.7-177.8-70.2-7.9000114.7S577S577-N579 PolarHBondContact O-N 3.33Å
580S55.3Low75.3Confident59 Ų5991.8 Ų91.841%0.41351%0.507SS..  trans-111.9119.9174.457.30000110.2S577 N582S577-S580 VanDerWaalsContact CB-OG 3.23Å; S577-S580 WeakPolarHBondContact CB-OG 3.45Å; S577-S580 PolarHBondContact O-OG 3.41Å; S577-S580 PolarHBondContact OG-OG 3.48Å; S580-N582 PolarHBondContact O-N 3.09Å
581S59Low75.3Confident124 Ų12488.2 Ų88.287%0.86749%0.487SS*.SBendtrans-62-3.7177.152.60000114.7
582N60.7Low75.2Confident120 Ų12088.8 Ų88.864%0.64249%0.487SS*.SBendtrans-106.3127175.4-69.6-9.9000109.3S580 Q584S580-N582 PolarHBondContact O-N 3.09Å; N582-Q584 PolarHBondContact O-N 3.02Å
583P65.8Low75.1Confident106 Ų10691.5 Ų91.569%0.68850%0.5SS*.  trans-55.8133.9168.724.8-31.9000108.2I585P583-I585 PolarHBondContact O-N 3.13Å
584Q65.7Low75.3Confident83 Ų8387.1 Ų87.139%0.38848%0.483SS..  trans-61.8104.2174-79.3-176-23.800108.6S577 N582 Y586S577-Q584 WeakPolarHBondContact OG-CG 3.49Å; N582-Q584 PolarHBondContact O-N 3.02Å; Q584-Y586 HydrophobicContact CB-CE1 4.28Å; Q584-Y586 HydrophobicContact CB-CE2 4.36Å; Q584-Y586 PolarHBondContact O-N 3.47Å; Q584-Y586 PolarHBondContact OE1-OH 2.71Å
585I75.6Confident75.6Confident158 Ų15888.1 Ų88.181%0.8149%0.49SS*.  trans-80.399.2173-57.1174.6000106.2P583P583-I585 PolarHBondContact O-N 3.13Å
586Y82.6Confident76.3Confident65 Ų6583.8 Ų83.826%0.25547%0.468SS..PPolyproline II helixtrans-73.8147.9168.9-59.3-63.8000109.6Q584 Q592Q584-Y586 HydrophobicContact CB-CE1 4.28Å; Q584-Y586 HydrophobicContact CB-CE2 4.36Å; Q584-Y586 PolarHBondContact O-N 3.47Å; Q584-Y586 PolarHBondContact OE1-OH 2.71Å; Y586-Q592 HydrophobicContact CD1-CB 3.52Å; Y586-Q592 HydrophobicContact CD1-CG 4.06Å; Y586-Q592 HydrophobicContact CD2-CB 3.82Å; Y586-Q592 HydrophobicContact CE1-CB 3.7Å; Y586-Q592 HydrophobicContact CE1-CG 3.95Å; Y586-Q592 HydrophobicContact CE2-CB 3.96Å; Y586-Q592 HydrophobicContact CG-CB 3.59Å
587Q82.2Confident77.4Confident158 Ų15880.1 Ų80.174%0.73845%0.448SS*.PPolyproline II helixtrans-66135.4173.4-178.5177.1-4.900109.8T590 E593Q587-T590 HydrophobicContact CB-CG2 3.88Å; Q587-T590 HydrophobicContact CG-CG2 4.39Å; Q587-T590 WeakPolarHBondContact O-CB 3.47Å; Q587-T590 VanDerWaalsContact O-CG2 3.26Å; Q587-T590 WeakPolarHBondContact O-CG2 3.26Å; Q587-T590 PolarHBondContact O-N 3.17Å; Q587-T590 PolarHBondContact O-OG1 3.33Å; Q587-E593 WeakPolarHBondContact O-CB 3.34Å
588C86.3Confident78.9Confident108 Ų10881 Ų8173%0.7345%0.454SS*.THydrogen-bonded Turntrans-58.1140.1179.1-58.40000111.6T590C588-T590 VanDerWaalsContact C-N 3.32Å
589G85.3Confident80.6Confident44 Ų4476.9 Ų76.945%0.45443%0.428SS..THydrogen-bonded Turntrans81.75.5-178.400000114.5E593G589-E593 PolarHBondContact N-OE2 2.79Å
590T89.3Confident82.4Confident24 Ų2469.4 Ų69.415%0.14739%0.388CS..SBendtrans-87.3158174.760.80000111.8Q587 C588 Q592 E593 L594Q587-T590 HydrophobicContact CB-CG2 3.88Å; Q587-T590 HydrophobicContact CG-CG2 4.39Å; Q587-T590 WeakPolarHBondContact O-CB 3.47Å; Q587-T590 VanDerWaalsContact O-CG2 3.26Å; Q587-T590 WeakPolarHBondContact O-CG2 3.26Å; Q587-T590 PolarHBondContact O-N 3.17Å; Q587-T590 PolarHBondContact O-OG1 3.33Å; C588-T590 VanDerWaalsContact C-N 3.32Å; T590-Q592 PolarHBondContact O-N 2.91Å; T590-E593 PolarHBondContact O-N 3.14Å; T590-E593 VanDerWaalsContact O-N 3.13Å; T590-L594 PolarHBondContact O-N 3.14Å
591Y91.8Very high84.4Confident5 Ų566.6 Ų66.62%0.0237%0.368CS..THydrogen-bonded Turntrans-53.1-38.2178.1179.6-82.5000112.9I572 Q595 Y596 W597 I599 A626I572-Y591 HydrophobicContact CG2-CE1 3.78Å; Y591-Q595 PolarHBondContact O-N 3.12Å; Y591-Y596 AromaticContact CD2-CD2 3.99Å; Y591-Y596 HydrophobicContact CD2-CD2 3.99Å; Y591-Y596 HydrophobicContact CD2-CG 4.35Å; Y591-Y596 VanDerWaalsContact CE2-CB 3.47Å; Y591-Y596 HydrophobicContact CE2-CD2 4.4Å; Y591-Y596 HydrophobicContact CE2-CG 4.48Å; Y591-Y596 VanDerWaalsContact CZ-O 3.23Å; Y591-Y596 PolarHBondContact O-N 3.35Å; Y591-Y596 PolarHBondContact OH-O 3.46Å; Y591-W597 HydrophobicContact CE1-CE3 4.27Å; Y591-I599 PolarHBondContact OH-O 3.3Å; Y591-A626 HydrophobicContact CD1-CB 4.41Å; Y591-A626 HydrophobicContact CD2-CB 3.82Å; Y591-A626 HydrophobicContact CG-CB 3.71Å
592Q89.9Confident86Confident51 Ų5161.6 Ų61.624%0.23833%0.332CS..THydrogen-bonded Turntrans-72.3-40.6-179.9-61.587.5-18.500112.1Y586 T590 Q595 W597Y586-Q592 HydrophobicContact CD1-CB 3.52Å; Y586-Q592 HydrophobicContact CD1-CG 4.06Å; Y586-Q592 HydrophobicContact CD2-CB 3.82Å; Y586-Q592 HydrophobicContact CE1-CB 3.7Å; Y586-Q592 HydrophobicContact CE1-CG 3.95Å; Y586-Q592 HydrophobicContact CE2-CB 3.96Å; Y586-Q592 HydrophobicContact CG-CB 3.59Å; T590-Q592 PolarHBondContact O-N 2.91Å; Q592-Q595 PolarHBondContact O-N 2.97Å; Q592-Q595 PolarHBondContact O-NE2 3.35Å; Q592-W597 HydrophobicContact CB-CH2 4.07Å; Q592-W597 HydrophobicContact CB-CZ2 3.67Å; Q592-W597 HydrophobicContact CG-CH2 3.49Å; Q592-W597 VanDerWaalsContact CG-CH2 3.49Å; Q592-W597 HydrophobicContact CG-CZ2 3.66Å; Q592-W597 HydrophobicContact CG-CZ3 4.46Å
593E90.3Very high87.6Confident72 Ų7256.6 Ų56.634%0.33631%0.305SS..THydrogen-bonded Turntrans-66.9-45.8178.9-175-95.8158.600111Q587 G589 T590 Q595Q587-E593 WeakPolarHBondContact O-CB 3.34Å; G589-E593 PolarHBondContact N-OE2 2.79Å; T590-E593 PolarHBondContact O-N 3.14Å; T590-E593 VanDerWaalsContact O-N 3.13Å; E593-Q595 PolarHBondContact O-N 2.98Å; E593-Q595 VanDerWaalsContact O-N 3.1Å; E593-Q595 PolarHBondContact O-NE2 2.89Å
594L92.3Very high89Confident63 Ų6351.7 Ų51.733%0.3327%0.273SS..THydrogen-bonded Turntrans-70.7-0.2176.9-65176.9000114.8T590 Y596 I622T590-L594 PolarHBondContact O-N 3.14Å; L594-Y596 VanDerWaalsContact C-N 3.34Å; L594-Y596 HydrophobicContact CB-CD1 3.99Å; L594-Y596 HydrophobicContact CB-CD2 4.43Å; L594-Y596 HydrophobicContact CB-CE1 3.85Å; L594-Y596 HydrophobicContact CB-CE2 4.28Å; L594-Y596 HydrophobicContact CB-CG 4.3Å; L594-Y596 HydrophobicContact CD1-CE2 3.92Å; L594-Y596 WeakPolarHBondContact O-CD1 3.44Å; L594-Y596 PolarHBondContact O-N 3.37Å; L594-I622 HydrophobicContact CD1-CD1 3.49Å; L594-I622 VanDerWaalsContact CD1-CD1 3.49Å; L594-I622 HydrophobicContact CD1-CG2 4.27Å
595Q91.9Very high90.4Very high86 Ų8649.1 Ų49.140%0.40227%0.266SS..THydrogen-bonded Turntrans59.835.7177.4-51.8-59.5-46.400114.6Y591 Q592 E593 W597Y591-Q595 PolarHBondContact O-N 3.12Å; Q592-Q595 PolarHBondContact O-N 2.97Å; Q592-Q595 PolarHBondContact O-NE2 3.35Å; E593-Q595 PolarHBondContact O-N 2.98Å; E593-Q595 VanDerWaalsContact O-N 3.1Å; E593-Q595 PolarHBondContact O-NE2 2.89Å; Q595-W597 PolarHBondContact O-N 3.03Å
596Y93.8Very high91.4Very high49 Ų4941.8 Ų41.819%0.19223%0.229CC..  trans-7417.8-179.5-70.9-8.3000115Y591 L594 S598 I599 N619 I622 I623Y591-Y596 AromaticContact CD2-CD2 3.99Å; Y591-Y596 HydrophobicContact CD2-CD2 3.99Å; Y591-Y596 HydrophobicContact CD2-CG 4.35Å; Y591-Y596 VanDerWaalsContact CE2-CB 3.47Å; Y591-Y596 HydrophobicContact CE2-CD2 4.4Å; Y591-Y596 HydrophobicContact CE2-CG 4.48Å; Y591-Y596 VanDerWaalsContact CZ-O 3.23Å; Y591-Y596 PolarHBondContact O-N 3.35Å; Y591-Y596 PolarHBondContact OH-O 3.46Å; L594-Y596 VanDerWaalsContact C-N 3.34Å; L594-Y596 HydrophobicContact CB-CD1 3.99Å; L594-Y596 HydrophobicContact CB-CD2 4.43Å; L594-Y596 HydrophobicContact CB-CE1 3.85Å; L594-Y596 HydrophobicContact CB-CE2 4.28Å; L594-Y596 HydrophobicContact CB-CG 4.3Å; L594-Y596 HydrophobicContact CD1-CE2 3.92Å; L594-Y596 WeakPolarHBondContact O-CD1 3.44Å; L594-Y596 PolarHBondContact O-N 3.37Å; Y596-S598 PolarHBondContact O-N 3.4Å; Y596-I599 HydrophobicContact CD1-CD1 4.39Å; Y596-I599 HydrophobicContact CG-CD1 4.36Å; Y596-I599 PolarHBondContact O-N 3.45Å; Y596-N619 PolarHBondContact OH-ND2 2.92Å; Y596-I622 HydrophobicContact CD2-CG2 4.47Å; Y596-I622 HydrophobicContact CE2-CG2 4.32Å; Y596-I623 HydrophobicContact CD2-CG1 4.48Å
597W93.1Very high92Very high8 Ų838.7 Ų38.73%0.0322%0.217CC..THydrogen-bonded Turntrans-57.8-17.4-174.8-57.1107.8000115.9D81 I82 R83 I572 Y574 Y591 Q592 Q595 H600D81-W597 WeakPolarHBondContact OD1-CB 3.33Å; I82-W597 WeakPolarHBondContact CD1-O 3.33Å; I82-W597 WeakPolarHBondContact CG1-O 3.28Å; R83-W597 HydrophobicContact CG-CB 4.25Å; R83-W597 HydrophobicContact CG-CD2 4.48Å; R83-W597 HydrophobicContact CG-CG 4.04Å; I572-W597 HydrophobicContact CG2-CE3 4.18Å; I572-W597 HydrophobicContact CG2-CZ3 4.1Å; Y574-W597 HydrophobicContact CD2-CD2 4.27Å; Y574-W597 AromaticContact CD2-CE2 3.99Å; Y574-W597 HydrophobicContact CD2-CE3 4.37Å; Y574-W597 AromaticContact CD2-CH2 3.91Å; Y574-W597 HydrophobicContact CD2-CH2 3.91Å; Y574-W597 AromaticContact CD2-CZ2 3.81Å; Y574-W597 HydrophobicContact CD2-CZ2 3.81Å; Y574-W597 HydrophobicContact CD2-CZ3 4.21Å; Y574-W597 HydrophobicContact CE2-CZ2 4.28Å; Y591-W597 HydrophobicContact CE1-CE3 4.27Å; Q592-W597 HydrophobicContact CB-CH2 4.07Å; Q592-W597 HydrophobicContact CB-CZ2 3.67Å; Q592-W597 HydrophobicContact CG-CH2 3.49Å; Q592-W597 VanDerWaalsContact CG-CH2 3.49Å; Q592-W597 HydrophobicContact CG-CZ2 3.66Å; Q592-W597 HydrophobicContact CG-CZ3 4.46Å; Q595-W597 PolarHBondContact O-N 3.03Å; W597-H600 PolarHBondContact O-CD2 3.11Å
598S92.7Very high92.8Very high47 Ų4733.3 Ų33.333%0.32919%0.193SC..THydrogen-bonded Turntrans-86.3-11.217756.40000114S80 Y596S80-S598 WeakPolarHBondContact OG-CB 3.35Å; S80-S598 PolarHBondContact OG-O 3.4Å; Y596-S598 PolarHBondContact O-N 3.4Å
599I93.4Very high93.2Very high22 Ų2231.8 Ų31.811%0.11318%0.18CC..  trans-107.689-172.5-48.8170.2000108.6Y591 Y596 L610 D613Y591-I599 PolarHBondContact OH-O 3.3Å; Y596-I599 HydrophobicContact CD1-CD1 4.39Å; Y596-I599 HydrophobicContact CG-CD1 4.36Å; Y596-I599 PolarHBondContact O-N 3.45Å; I599-L610 VanDerWaalsContact CG2-CA 3.49Å; I599-L610 HydrophobicContact CG2-CB 3.54Å; I599-L610 HydrophobicContact CG2-CD1 3.48Å; I599-L610 VanDerWaalsContact CG2-CD1 3.48Å; I599-L610 HydrophobicContact CG2-CG 3.98Å; I599-D613 WeakPolarHBondContact CD1-OD2 3.46Å
600H94.4Very high93.8Very high6 Ų629.7 Ų29.73%0.02816%0.158CC..SBendtrans-147.3172.6-174.859.780000112.8S80 I82 W597 N602 D603 A606 S607 Y627S80-H600 PolarHBondContact O-NE2 2.92Å; I82-H600 HydrophobicContact CD1-CB 4.09Å; W597-H600 PolarHBondContact O-CD2 3.11Å; H600-N602 WeakPolarHBondContact ND1-CB 3.21Å; H600-N602 PolarHBondContact ND1-N 2.93Å; H600-N602 PolarHBondContact ND1-ND2 3.18Å; H600-D603 IonicContact CE1-OD1 2.75Å; H600-D603 PolarHBondContact CE1-OD1 2.93Å; H600-A606 CarbonylContact O-C 3.51Å; H600-A606 VanDerWaalsContact O-C 3.31Å; H600-A606 WeakPolarHBondContact O-CB 3.31Å; H600-S607 PolarHBondContact O-N 2.66Å; H600-Y627 VanDerWaalsContact CA-OH 3.29Å; H600-Y627 WeakPolarHBondContact CA-OH 3.36Å
601F95.5Very high94.2Very high0 Ų028.5 Ų28.50%015%0.151CC..SBendtrans-98.629.6179.7-73.4-68.8000114M565 F568 S607 L610 L611 Y627 Y638 M639M565-F601 WeakPolarHBondContact CA-O 3.23Å; F568-F601 HydrophobicContact CB-CB 4.02Å; F568-F601 HydrophobicContact CB-CD2 3.82Å; F568-F601 HydrophobicContact CB-CG 4.25Å; F568-F601 AromaticContact CD2-CD2 3.63Å; F568-F601 HydrophobicContact CD2-CD2 3.63Å; F568-F601 AromaticContact CD2-CE2 3.78Å; F568-F601 HydrophobicContact CD2-CE2 3.78Å; F568-F601 HydrophobicContact CD2-CG 4.32Å; F568-F601 HydrophobicContact CE2-CE2 4.41Å; F568-F601 HydrophobicContact CG-CD2 4.13Å; F601-S607 WeakPolarHBondContact CA-OG 3.24Å; F601-S607 WeakPolarHBondContact CD1-OG 3.33Å; F601-L610 HydrophobicContact CD1-CD2 4.07Å; F601-L610 HydrophobicContact CD2-CD2 3.38Å; F601-L610 HydrophobicContact CE1-CD2 3.9Å; F601-L610 HydrophobicContact CE1-CG 4.3Å; F601-L610 HydrophobicContact CE2-CD2 3.19Å; F601-L610 HydrophobicContact CE2-CG 4.02Å; F601-L610 HydrophobicContact CG-CD2 3.81Å; F601-L610 HydrophobicContact CZ-CD2 3.45Å; F601-L610 VanDerWaalsContact CZ-CD2 3.45Å; F601-L610 HydrophobicContact CZ-CG 3.84Å; F601-L611 HydrophobicContact CE1-CD2 4.33Å; F601-L611 HydrophobicContact CE1-CG 4.24Å; F601-L611 HydrophobicContact CZ-CD2 4.29Å; F601-Y627 AromaticContact CD2-CE1 3.95Å; F601-Y627 HydrophobicContact CD2-CE1 3.95Å; F601-Y627 HydrophobicContact CD2-CE2 4.4Å; F601-Y627 AromaticContact CD2-CZ 3.7Å; F601-Y627 WeakPolarHBondContact CD2-OH 3.29Å; F601-Y627 PolarHBondContact N-OH 3.34Å; F601-Y638 HydrophobicContact CE2-CE1 4.29Å; F601-Y638 AromaticContact CZ-CE1 3.86Å; F601-Y638 HydrophobicContact CZ-CE1 3.86Å; F601-M639 HydrophobicContact CE2-CE 4.25Å
602N94Very high94.4Very high19 Ų1935.1 Ų35.110%0.10218%0.176CC..SBendtrans-83.7-29.4-174.9-60.5-11.6000112.3P73 H569 D570 H600P73-N602 WeakPolarHBondContact CG-O 3.49Å; H569-N602 PolarHBondContact CE1-O 2.86Å; H569-N602 PolarHBondContact ND1-O 3.49Å; D570-N602 WeakPolarHBondContact CA-OD1 3.07Å; D570-N602 PolarHBondContact N-OD1 3.29Å; D570-N602 PolarHBondContact OD1-ND2 3.49Å; H600-N602 WeakPolarHBondContact ND1-CB 3.21Å; H600-N602 PolarHBondContact ND1-N 2.93Å; H600-N602 PolarHBondContact ND1-ND2 3.18Å
603D93.5Very high94.7Very high14 Ų1434.9 Ų34.98%0.07518%0.176CC..SBendtrans-138.2165.1178.873.6-56.7000110.5S75 H600 A606 S607S75-D603 WeakPolarHBondContact CA-OD2 3.21Å; S75-D603 VanDerWaalsContact CB-OD2 3.27Å; S75-D603 WeakPolarHBondContact CB-OD2 3.48Å; S75-D603 WeakPolarHBondContact OG-CB 3.36Å; S75-D603 PolarHBondContact OG-OD2 2.96Å; H600-D603 IonicContact CE1-OD1 2.75Å; H600-D603 PolarHBondContact CE1-OD1 2.93Å; D603-A606 WeakPolarHBondContact OD1-CB 3.41Å; D603-A606 PolarHBondContact OD2-N 3.5Å; D603-S607 WeakPolarHBondContact O-CB 3.34Å; D603-S607 PolarHBondContact O-N 3.34Å; D603-S607 PolarHBondContact O-OG 3.3Å
604F95.3Very high95Very high4 Ų431.8 Ų31.82%0.01816%0.162CC..Hα-helixtrans-66-42.3-172.2-174.4-109.7000112.7P68 F69 S75 Y558 A561 L562 M565 S607 L608P68-F604 HydrophobicContact CB-CB 4.11Å; P68-F604 HydrophobicContact CB-CD1 3.77Å; P68-F604 HydrophobicContact CB-CD2 3.81Å; P68-F604 HydrophobicContact CB-CE1 4.09Å; P68-F604 HydrophobicContact CB-CE2 4.14Å; P68-F604 HydrophobicContact CB-CG 3.62Å; P68-F604 HydrophobicContact CB-CZ 4.27Å; P68-F604 HydrophobicContact CG-CE1 4.49Å; P68-F604 HydrophobicContact CG-CE2 4.46Å; P68-F604 HydrophobicContact CG-CZ 4.41Å; F69-F604 HydrophobicContact CD1-CD1 4.15Å; F69-F604 AromaticContact CD2-CD1 3.9Å; F69-F604 HydrophobicContact CD2-CD1 3.9Å; F69-F604 HydrophobicContact CD2-CE1 4.04Å; F69-F604 AromaticContact CE1-CD1 3.99Å; F69-F604 HydrophobicContact CE1-CD1 3.99Å; F69-F604 HydrophobicContact CE1-CE1 4.46Å; F69-F604 AromaticContact CE2-CD1 3.74Å; F69-F604 HydrophobicContact CE2-CD1 3.74Å; F69-F604 AromaticContact CE2-CE1 3.56Å; F69-F604 HydrophobicContact CE2-CE1 3.56Å; F69-F604 HydrophobicContact CG-CD1 4.11Å; F69-F604 AromaticContact CZ-CD1 3.78Å; F69-F604 HydrophobicContact CZ-CD1 3.78Å; F69-F604 AromaticContact CZ-CE1 3.8Å; F69-F604 HydrophobicContact CZ-CE1 3.8Å; S75-F604 PolarHBondContact OG-N 3.07Å; S75-F604 VanDerWaalsContact OG-N 3.11Å; Y558-F604 HydrophobicContact CD2-CE2 4.18Å; Y558-F604 AromaticContact CD2-CZ 3.66Å; Y558-F604 HydrophobicContact CD2-CZ 3.66Å; Y558-F604 HydrophobicContact CE2-CE2 4.38Å; Y558-F604 AromaticContact CE2-CZ 3.97Å; Y558-F604 HydrophobicContact CE2-CZ 3.97Å; Y558-F604 HydrophobicContact CG-CZ 4.37Å; A561-F604 HydrophobicContact CB-CD2 4.05Å; A561-F604 HydrophobicContact CB-CE2 3.8Å; L562-F604 HydrophobicContact CD2-CD2 4.09Å; L562-F604 HydrophobicContact CD2-CE2 4.32Å; L562-F604 HydrophobicContact CG-CD2 4.48Å; L562-F604 HydrophobicContact CG-CE2 4.27Å; M565-F604 VanDerWaalsContact SD-CA 3.55Å; M565-F604 HydrophobicContact SD-CB 3.97Å; M565-F604 HydrophobicContact SD-CD2 4.16Å; F604-S607 WeakPolarHBondContact O-CB 3.38Å; F604-S607 PolarHBondContact O-N 3.36Å; F604-L608 HydrophobicContact CD1-CD1 4.07Å; F604-L608 HydrophobicContact CE1-CD1 3.68Å; F604-L608 HydrophobicContact CE1-CG 4.27Å; F604-L608 HydrophobicContact CZ-CD1 4.15Å; F604-L608 HydrophobicContact CZ-CD2 4.27Å; F604-L608 HydrophobicContact CZ-CG 4.35Å; F604-L608 WeakPolarHBondContact O-CG 3.45Å; F604-L608 PolarHBondContact O-N 3.12Å
605A95.7Very high95.1Very high29 Ų2929.6 Ų29.624%0.2415%0.15CC..Hα-helixtrans-64.6-47.3179.100000112.6F69 S75 S607 L608 V609F69-A605 HydrophobicContact CD1-CB 4.11Å; F69-A605 HydrophobicContact CE1-CB 3.83Å; S75-A605 WeakPolarHBondContact OG-CB 3.21Å; S75-A605 PolarHBondContact OG-N 3.18Å; A605-S607 VanDerWaalsContact C-N 3.28Å; A605-S607 PolarHBondContact O-N 3.38Å; A605-L608 PolarHBondContact O-N 3.26Å; A605-V609 PolarHBondContact O-N 3.09Å
606A95.6Very high95.2Very high4 Ų429.5 Ų29.53%0.03316%0.155CC..Hα-helixtrans-64.5-35.6176.100000111.8H600 D603 L608 V609 L610H600-A606 CarbonylContact O-C 3.51Å; H600-A606 VanDerWaalsContact O-C 3.31Å; H600-A606 WeakPolarHBondContact O-CB 3.31Å; D603-A606 WeakPolarHBondContact OD1-CB 3.41Å; D603-A606 PolarHBondContact OD2-N 3.5Å; A606-L608 VanDerWaalsContact C-N 3.31Å; A606-L608 PolarHBondContact O-N 2.9Å; A606-V609 PolarHBondContact O-N 3.01Å; A606-L610 WeakPolarHBondContact O-CB 3.27Å; A606-L610 PolarHBondContact O-N 3.42Å
607S96.9Very high95.2Very high0 Ų028.1 Ų28.10%015%0.152CC..Hα-helixtrans-61-39.2175.4-58.70000112.3M565 H600 F601 D603 F604 A605 L611M565-S607 WeakPolarHBondContact CG-OG 3.47Å; H600-S607 PolarHBondContact O-N 2.66Å; F601-S607 WeakPolarHBondContact CA-OG 3.24Å; F601-S607 WeakPolarHBondContact CD1-OG 3.33Å; D603-S607 WeakPolarHBondContact O-CB 3.34Å; D603-S607 PolarHBondContact O-N 3.34Å; D603-S607 PolarHBondContact O-OG 3.3Å; F604-S607 WeakPolarHBondContact O-CB 3.38Å; F604-S607 PolarHBondContact O-N 3.36Å; A605-S607 VanDerWaalsContact C-N 3.28Å; A605-S607 PolarHBondContact O-N 3.38Å; S607-L611 WeakPolarHBondContact O-CB 3.43Å; S607-L611 VanDerWaalsContact O-CG 3.26Å; S607-L611 WeakPolarHBondContact O-CG 3.14Å; S607-L611 PolarHBondContact O-N 2.95Å
608L97Very high95.2Very high44 Ų4432.6 Ų32.623%0.2318%0.177CC..Hα-helixtrans-65.1-41.3175.3-70.1175000112.1F69 F557 A561 F604 A605 A606 L611 W612F69-L608 HydrophobicContact CE1-CD1 4.35Å; F69-L608 HydrophobicContact CZ-CD1 3.76Å; F557-L608 HydrophobicContact CB-CD2 3.95Å; F557-L608 HydrophobicContact CD1-CD2 4.01Å; F557-L608 HydrophobicContact CG-CD2 4.46Å; A561-L608 HydrophobicContact CB-CD2 4.16Å; F604-L608 HydrophobicContact CD1-CD1 4.07Å; F604-L608 HydrophobicContact CE1-CD1 3.68Å; F604-L608 HydrophobicContact CE1-CG 4.27Å; F604-L608 HydrophobicContact CZ-CD1 4.15Å; F604-L608 HydrophobicContact CZ-CD2 4.27Å; F604-L608 HydrophobicContact CZ-CG 4.35Å; F604-L608 WeakPolarHBondContact O-CG 3.45Å; F604-L608 PolarHBondContact O-N 3.12Å; A605-L608 PolarHBondContact O-N 3.26Å; A606-L608 VanDerWaalsContact C-N 3.31Å; A606-L608 PolarHBondContact O-N 2.9Å; L608-L611 PolarHBondContact O-N 2.83Å; L608-W612 WeakPolarHBondContact O-CB 3.44Å; L608-W612 PolarHBondContact O-N 3.46Å
609V96.4Very high95.3Very high76 Ų7632.7 Ų32.746%0.46117%0.173SC..Hα-helixtrans-65.8-45.5176.7177.30000110.6A605 A606 L611 W612 D613A605-V609 PolarHBondContact O-N 3.09Å; A606-V609 PolarHBondContact O-N 3.01Å; V609-L611 VanDerWaalsContact C-N 3.34Å; V609-L611 PolarHBondContact O-N 2.85Å; V609-W612 WeakPolarHBondContact O-CA 3.43Å; V609-W612 VanDerWaalsContact O-CB 3.29Å; V609-W612 WeakPolarHBondContact O-CB 3.46Å; V609-W612 PolarHBondContact O-N 3.2Å; V609-D613 PolarHBondContact O-N 3.33Å
610L96.4Very high95.3Very high0 Ų032.1 Ų32.10%017%0.17CC..Hα-helixtrans-58.6-44.5176173.351.3000112.2I599 F601 A606 W612 D613 L614 I623 Y627I599-L610 VanDerWaalsContact CG2-CA 3.49Å; I599-L610 HydrophobicContact CG2-CB 3.54Å; I599-L610 HydrophobicContact CG2-CD1 3.48Å; I599-L610 VanDerWaalsContact CG2-CD1 3.48Å; I599-L610 HydrophobicContact CG2-CG 3.98Å; F601-L610 HydrophobicContact CD1-CD2 4.07Å; F601-L610 HydrophobicContact CD2-CD2 3.38Å; F601-L610 HydrophobicContact CE1-CD2 3.9Å; F601-L610 HydrophobicContact CE1-CG 4.3Å; F601-L610 HydrophobicContact CE2-CD2 3.19Å; F601-L610 HydrophobicContact CE2-CG 4.02Å; F601-L610 HydrophobicContact CG-CD2 3.81Å; F601-L610 HydrophobicContact CZ-CD2 3.45Å; F601-L610 VanDerWaalsContact CZ-CD2 3.45Å; F601-L610 HydrophobicContact CZ-CG 3.84Å; A606-L610 WeakPolarHBondContact O-CB 3.27Å; A606-L610 PolarHBondContact O-N 3.42Å; L610-W612 VanDerWaalsContact C-N 3.31Å; L610-W612 PolarHBondContact O-N 3.4Å; L610-D613 PolarHBondContact O-N 3.32Å; L610-L614 HydrophobicContact CD1-CD1 4.23Å; L610-L614 HydrophobicContact CD1-CG 4.25Å; L610-L614 HydrophobicContact CG-CD1 4.45Å; L610-L614 WeakPolarHBondContact O-CG 3.47Å; L610-L614 PolarHBondContact O-N 3.41Å; L610-I623 HydrophobicContact CD1-CD1 3.99Å; L610-I623 HydrophobicContact CD1-CG2 3.58Å; L610-Y627 HydrophobicContact CD2-CE2 4.13Å
611L97.5Very high95.2Very high0 Ų033.4 Ų33.40%018%0.176CC..Hα-helixtrans-65.2-35.1175.1-73.6176.4000112.5F557 A561 F601 S607 L608 V609 L614 M615 W642F557-L611 HydrophobicContact CD1-CB 3.88Å; F557-L611 HydrophobicContact CD1-CD1 4.37Å; F557-L611 HydrophobicContact CE1-CB 3.75Å; A561-L611 HydrophobicContact CB-CD1 3.86Å; F601-L611 HydrophobicContact CE1-CD2 4.33Å; F601-L611 HydrophobicContact CE1-CG 4.24Å; F601-L611 HydrophobicContact CZ-CD2 4.29Å; S607-L611 WeakPolarHBondContact O-CB 3.43Å; S607-L611 VanDerWaalsContact O-CG 3.26Å; S607-L611 WeakPolarHBondContact O-CG 3.14Å; S607-L611 PolarHBondContact O-N 2.95Å; L608-L611 PolarHBondContact O-N 2.83Å; V609-L611 VanDerWaalsContact C-N 3.34Å; V609-L611 PolarHBondContact O-N 2.85Å; L611-L614 HydrophobicContact CD2-CD1 4.35Å; L611-L614 PolarHBondContact O-N 3.42Å; L611-M615 WeakPolarHBondContact O-CB 3.23Å; L611-M615 PolarHBondContact O-N 3.13Å; L611-W642 HydrophobicContact CB-CH2 3.79Å; L611-W642 HydrophobicContact CB-CZ2 3.72Å; L611-W642 HydrophobicContact CB-CZ3 4.46Å; L611-W642 HydrophobicContact CD1-CH2 4.14Å; L611-W642 HydrophobicContact CD1-CZ3 4.1Å; L611-W642 HydrophobicContact CD2-CD2 3.8Å; L611-W642 HydrophobicContact CD2-CE3 3.84Å; L611-W642 HydrophobicContact CD2-CG 4.39Å; L611-W642 HydrophobicContact CD2-CH2 4.08Å; L611-W642 HydrophobicContact CD2-CZ2 4.06Å; L611-W642 HydrophobicContact CD2-CZ3 3.97Å; L611-W642 HydrophobicContact CG-CH2 4.23Å; L611-W642 HydrophobicContact CG-CZ2 4.38Å; L611-W642 HydrophobicContact CG-CZ3 4.42Å; L611-W642 WeakPolarHBondContact O-CZ2 3.44Å
612W97Very high95.1Very high144 Ų14434.6 Ų34.655%0.54518%0.182SC..Hα-helixtrans-62.4-46.3173.7175.5-86000111.1F557 L608 V609 L610 L614 M615 V616F557-W612 HydrophobicContact CE1-CB 4.28Å; F557-W612 HydrophobicContact CZ-CE3 4.34Å; L608-W612 WeakPolarHBondContact O-CB 3.44Å; L608-W612 PolarHBondContact O-N 3.46Å; V609-W612 WeakPolarHBondContact O-CA 3.43Å; V609-W612 VanDerWaalsContact O-CB 3.29Å; V609-W612 WeakPolarHBondContact O-CB 3.46Å; V609-W612 PolarHBondContact O-N 3.2Å; L610-W612 VanDerWaalsContact C-N 3.31Å; L610-W612 PolarHBondContact O-N 3.4Å; W612-L614 VanDerWaalsContact C-N 3.32Å; W612-L614 PolarHBondContact O-N 3.36Å; W612-M615 HydrophobicContact CD2-CE 4.04Å; W612-M615 HydrophobicContact CE3-CE 3.52Å; W612-M615 HydrophobicContact CH2-CE 4.03Å; W612-M615 HydrophobicContact CZ2-CE 4.48Å; W612-M615 HydrophobicContact CZ3-CE 3.53Å; W612-M615 WeakPolarHBondContact O-CB 3.45Å; W612-M615 PolarHBondContact O-N 3.38Å; W612-V616 PolarHBondContact O-N 3.45Å; W612-V616 VanDerWaalsContact O-N 3.08Å
613D95.6Very high95.2Very high45 Ų4534 Ų3424%0.24118%0.179CC..Hα-helixtrans-62.1-41.1177.7-63.4-29.6000111.3I599 V609 L610 M615 V616 V617I599-D613 WeakPolarHBondContact CD1-OD2 3.46Å; V609-D613 PolarHBondContact O-N 3.33Å; L610-D613 PolarHBondContact O-N 3.32Å; D613-M615 VanDerWaalsContact C-N 3.31Å; D613-M615 PolarHBondContact O-N 3.11Å; D613-V616 PolarHBondContact O-N 3.44Å; D613-V617 PolarHBondContact O-N 3.09Å
614L96.2Very high95.2Very high8 Ų833.3 Ų33.34%0.04218%0.175CC..Hα-helixtrans-65.2-31.3173.1-68.4173.5000113.2L610 L611 W612 V617 W620 I623 M639L610-L614 HydrophobicContact CD1-CD1 4.23Å; L610-L614 HydrophobicContact CD1-CG 4.25Å; L610-L614 HydrophobicContact CG-CD1 4.45Å; L610-L614 WeakPolarHBondContact O-CG 3.47Å; L610-L614 PolarHBondContact O-N 3.41Å; L611-L614 HydrophobicContact CD2-CD1 4.35Å; L611-L614 PolarHBondContact O-N 3.42Å; W612-L614 VanDerWaalsContact C-N 3.32Å; W612-L614 PolarHBondContact O-N 3.36Å; L614-V617 PolarHBondContact O-N 3.45Å; L614-W620 HydrophobicContact CD2-CB 3.88Å; L614-I623 HydrophobicContact CD2-CB 4.46Å; L614-I623 HydrophobicContact CD2-CD1 4.36Å; L614-I623 HydrophobicContact CD2-CG2 4.29Å; L614-M639 HydrophobicContact CD1-CE 4.27Å; L614-M639 HydrophobicContact CD1-SD 3.54Å; L614-M639 VanDerWaalsContact CD1-SD 3.54Å; L614-M639 HydrophobicContact CD2-SD 4.2Å
615M95.9Very high95.1Very high16 Ų1637.8 Ų37.88%0.07920%0.195CC..Hα-helixtrans-70.9-34.5176.8-176.9-174.372.700112.3F557 L611 W612 D613 V617 W642 V646 V647 L651F557-M615 HydrophobicContact CE2-SD 3.83Å; F557-M615 HydrophobicContact CZ-CB 4.5Å; F557-M615 HydrophobicContact CZ-CE 4.29Å; F557-M615 HydrophobicContact CZ-SD 3.77Å; L611-M615 WeakPolarHBondContact O-CB 3.23Å; L611-M615 PolarHBondContact O-N 3.13Å; W612-M615 HydrophobicContact CD2-CE 4.04Å; W612-M615 HydrophobicContact CE3-CE 3.52Å; W612-M615 HydrophobicContact CH2-CE 4.03Å; W612-M615 HydrophobicContact CZ2-CE 4.48Å; W612-M615 HydrophobicContact CZ3-CE 3.53Å; W612-M615 WeakPolarHBondContact O-CB 3.45Å; W612-M615 PolarHBondContact O-N 3.38Å; D613-M615 VanDerWaalsContact C-N 3.31Å; D613-M615 PolarHBondContact O-N 3.11Å; M615-V617 PolarHBondContact O-N 2.81Å; M615-W642 HydrophobicContact CB-CZ2 4.1Å; M615-V646 HydrophobicContact CG-CG1 3.97Å; M615-V646 HydrophobicContact SD-CG1 3.97Å; M615-V647 HydrophobicContact CG-CG2 4.31Å; M615-L651 HydrophobicContact CG-CD1 3.69Å; M615-L651 HydrophobicContact CG-CG 4.36Å; M615-L651 HydrophobicContact SD-CD1 4.14Å; M615-L651 HydrophobicContact SD-CD2 4.01Å; M615-L651 HydrophobicContact SD-CG 4.31Å
616V93.8Very high95Very high84 Ų8436.7 Ų36.751%0.50919%0.185SC..Hα-helixtrans-71.3-16.3175.5176.90000111.4W612 D613 N618W612-V616 PolarHBondContact O-N 3.45Å; W612-V616 VanDerWaalsContact O-N 3.08Å; D613-V616 PolarHBondContact O-N 3.44Å; V616-N618 HydrophobicContact CG1-CB 4.35Å; V616-N618 PolarHBondContact O-N 3.39Å
617V93.3Very high95Very high20 Ų2036.5 Ų36.512%0.12118%0.184CC..  trans69.8-19.3176.6-171.60000113.9T244 T246 D613 L614 M615 N619 W620 V647T244-V617 HydrophobicContact CG2-CG1 3.91Å; T246-V617 HydrophobicContact CG2-CG1 3.85Å; T246-V617 WeakPolarHBondContact CG2-O 3.23Å; D613-V617 PolarHBondContact O-N 3.09Å; L614-V617 PolarHBondContact O-N 3.45Å; M615-V617 PolarHBondContact O-N 2.81Å; V617-N619 PolarHBondContact O-N 3.01Å; V617-W620 PolarHBondContact O-N 3.33Å; V617-V647 HydrophobicContact CG2-CG1 3.98Å; V617-V647 HydrophobicContact CG2-CG2 4.09Å
618N93.8Very high94.8Very high102 Ų10238.3 Ų38.355%0.54519%0.192SC..THydrogen-bonded Turntrans-63.3134.7176.9-168.923.5000112.9V616 W620V616-N618 HydrophobicContact CG1-CB 4.35Å; V616-N618 PolarHBondContact O-N 3.39Å; N618-W620 PolarHBondContact O-N 3.19Å
619N93.5Very high94.6Very high49 Ų4941.9 Ų41.926%0.26221%0.208SC..THydrogen-bonded Turntrans54.415.3179.8-68.4-23.9000116.2Y596 V617 Q621 I622Y596-N619 PolarHBondContact OH-ND2 2.92Å; V617-N619 PolarHBondContact O-N 3.01Å; N619-Q621 VanDerWaalsContact C-OE1 3.3Å; N619-Q621 PolarHBondContact O-N 2.99Å; N619-I622 HydrophobicContact CB-CD1 4.16Å; N619-I622 WeakPolarHBondContact O-CB 3.3Å; N619-I622 PolarHBondContact O-N 3.12Å; N619-I622 VanDerWaalsContact O-N 3.12Å
620W94.2Very high94.4Very high11 Ų1140.8 Ų40.84%0.04221%0.207CC..Hα-helixtrans-60.4-32.5-177.778.3-67.3000112.5F237 V241 T244 T246 L614 V617 N618 I622 I623 V624 M639F237-W620 AromaticContact CE2-CH2 3.61Å; F237-W620 HydrophobicContact CE2-CH2 3.61Å; F237-W620 HydrophobicContact CE2-CZ2 4.47Å; F237-W620 HydrophobicContact CE2-CZ3 4.12Å; F237-W620 AromaticContact CZ-CH2 3.71Å; F237-W620 HydrophobicContact CZ-CH2 3.71Å; F237-W620 HydrophobicContact CZ-CZ2 4.37Å; F237-W620 HydrophobicContact CZ-CZ3 4.02Å; V241-W620 HydrophobicContact CB-CZ2 4.3Å; V241-W620 HydrophobicContact CG2-CH2 4.18Å; V241-W620 HydrophobicContact CG2-CZ2 3.52Å; T244-W620 PolarHBondContact OG1-NE1 2.9Å; T246-W620 PolarHBondContact OG1-NE1 3.25Å; L614-W620 HydrophobicContact CD2-CB 3.88Å; V617-W620 PolarHBondContact O-N 3.33Å; N618-W620 PolarHBondContact O-N 3.19Å; W620-I622 PolarHBondContact O-N 3.38Å; W620-I623 WeakPolarHBondContact O-CB 3.46Å; W620-I623 PolarHBondContact O-N 3.02Å; W620-I623 VanDerWaalsContact O-N 3.12Å; W620-V624 HydrophobicContact CD2-CG2 4.48Å; W620-V624 HydrophobicContact CE3-CG2 3.44Å; W620-V624 VanDerWaalsContact CE3-CG2 3.44Å; W620-V624 HydrophobicContact CZ3-CG2 3.72Å; W620-V624 WeakPolarHBondContact O-CG2 3.45Å; W620-V624 PolarHBondContact O-N 3.39Å; W620-M639 HydrophobicContact CZ3-CB 4.28Å
621Q92.9Very high94.2Very high33 Ų3343.7 Ų43.715%0.15422%0.224CC..Hα-helixtrans-59.1-33.1178.570.9-78.28.300112.8V241 T246 N619 F625V241-Q621 HydrophobicContact CG1-CB 3.73Å; V241-Q621 HydrophobicContact CG1-CG 4.06Å; V241-Q621 HydrophobicContact CG2-CB 4.14Å; T246-Q621 VanDerWaalsContact CB-OE1 3.3Å; T246-Q621 PolarHBondContact O-NE2 2.82Å; N619-Q621 VanDerWaalsContact C-OE1 3.3Å; N619-Q621 PolarHBondContact O-N 2.99Å; Q621-F625 WeakPolarHBondContact O-CB 3.47Å; Q621-F625 PolarHBondContact O-N 2.99Å
622I93.6Very high94Very high24 Ų2447.1 Ų47.112%0.12324%0.242CC..Hα-helixtrans-68.8-42.2179.3-55.7-179.3000109.8L594 Y596 N619 W620 A626L594-I622 HydrophobicContact CD1-CD1 3.49Å; L594-I622 VanDerWaalsContact CD1-CD1 3.49Å; L594-I622 HydrophobicContact CD1-CG2 4.27Å; Y596-I622 HydrophobicContact CD2-CG2 4.47Å; Y596-I622 HydrophobicContact CE2-CG2 4.32Å; N619-I622 HydrophobicContact CB-CD1 4.16Å; N619-I622 WeakPolarHBondContact O-CB 3.3Å; N619-I622 PolarHBondContact O-N 3.12Å; N619-I622 VanDerWaalsContact O-N 3.12Å; W620-I622 PolarHBondContact O-N 3.38Å; I622-A626 PolarHBondContact O-N 3.33Å; I622-A626 VanDerWaalsContact O-N 3.1Å
623I94.3Very high93.8Very high6 Ų646.5 Ų46.53%0.03124%0.24CC..Hα-helixtrans-65.7-49.9177.3-60.8174.7000109.8Y596 L610 L614 W620 F625 A626 Y627Y596-I623 HydrophobicContact CD2-CG1 4.48Å; L610-I623 HydrophobicContact CD1-CD1 3.99Å; L610-I623 HydrophobicContact CD1-CG2 3.58Å; L614-I623 HydrophobicContact CD2-CB 4.46Å; L614-I623 HydrophobicContact CD2-CD1 4.36Å; L614-I623 HydrophobicContact CD2-CG2 4.29Å; W620-I623 WeakPolarHBondContact O-CB 3.46Å; W620-I623 PolarHBondContact O-N 3.02Å; W620-I623 VanDerWaalsContact O-N 3.12Å; I623-F625 VanDerWaalsContact C-N 3.31Å; I623-F625 PolarHBondContact O-N 3.36Å; I623-A626 PolarHBondContact O-N 3.48Å; I623-Y627 HydrophobicContact CG2-CD2 3.97Å; I623-Y627 HydrophobicContact CG2-CE2 4Å; I623-Y627 WeakPolarHBondContact O-CD2 3.43Å; I623-Y627 PolarHBondContact O-N 3.48Å; I623-Y627 VanDerWaalsContact O-N 3.11Å
624V94.1Very high93.7Very high0 Ų053.2 Ų53.20%026%0.262CS..Hα-helixtrans-60.4-42.9-179.8178.50000111.2F237 W620 A626 Y627 Q628 H636 M639F237-V624 HydrophobicContact CZ-CB 4.46Å; F237-V624 HydrophobicContact CZ-CG1 3.95Å; W620-V624 HydrophobicContact CD2-CG2 4.48Å; W620-V624 HydrophobicContact CE3-CG2 3.44Å; W620-V624 VanDerWaalsContact CE3-CG2 3.44Å; W620-V624 HydrophobicContact CZ3-CG2 3.72Å; W620-V624 WeakPolarHBondContact O-CG2 3.45Å; W620-V624 PolarHBondContact O-N 3.39Å; V624-A626 VanDerWaalsContact C-N 3.35Å; V624-A626 PolarHBondContact O-N 3.49Å; V624-Y627 PolarHBondContact O-N 3.25Å; V624-Q628 VanDerWaalsContact O-CB 3.29Å; V624-Q628 WeakPolarHBondContact O-CB 3.29Å; V624-Q628 PolarHBondContact O-N 2.86Å; V624-H636 VanDerWaalsContact CG1-CD2 3.49Å; V624-H636 WeakPolarHBondContact CG1-CD2 3.45Å; V624-M639 HydrophobicContact CB-CG 4.49Å; V624-M639 HydrophobicContact CG1-CG 4.24Å; V624-M639 HydrophobicContact CG2-CB 3.93Å; V624-M639 HydrophobicContact CG2-CG 3.59Å; V624-M639 HydrophobicContact CG2-SD 4.04Å
625F93.2Very high93.6Very high99 Ų9952.9 Ų52.943%0.43426%0.261SS..Hα-helixtrans-61.1-41.8177.1-175.4-107000112.3Q621 I623 Q628 Q629Q621-F625 WeakPolarHBondContact O-CB 3.47Å; Q621-F625 PolarHBondContact O-N 2.99Å; I623-F625 VanDerWaalsContact C-N 3.31Å; I623-F625 PolarHBondContact O-N 3.36Å; F625-Q628 PolarHBondContact O-N 3.2Å; F625-Q629 HydrophobicContact CD1-CG 4.47Å; F625-Q629 HydrophobicContact CE1-CG 4.23Å; F625-Q629 HydrophobicContact CZ-CG 4.26Å; F625-Q629 WeakPolarHBondContact O-CG 3.49Å; F625-Q629 PolarHBondContact O-N 2.9Å
626A93.5Very high93.5Very high5 Ų552.2 Ų52.24%0.04126%0.257CS..Hα-helixtrans-62-44.8176.500000112.6I572 Y591 I622 I623 V624 Q629 A630I572-A626 HydrophobicContact CD1-CB 4.44Å; Y591-A626 HydrophobicContact CD1-CB 4.41Å; Y591-A626 HydrophobicContact CD2-CB 3.82Å; Y591-A626 HydrophobicContact CG-CB 3.71Å; I622-A626 PolarHBondContact O-N 3.33Å; I622-A626 VanDerWaalsContact O-N 3.1Å; I623-A626 PolarHBondContact O-N 3.48Å; V624-A626 VanDerWaalsContact C-N 3.35Å; V624-A626 PolarHBondContact O-N 3.49Å; A626-Q629 PolarHBondContact O-N 3.29Å; A626-A630 WeakPolarHBondContact O-CB 3.43Å; A626-A630 PolarHBondContact O-N 3.49Å; A626-A630 VanDerWaalsContact O-N 3.09Å
627Y95.1Very high93.6Very high1 Ų153.2 Ų53.20%0.00426%0.259CS..Hα-helixtrans-70.1-35.7176.3-81.8-81.8000112.8F568 V571 I572 H600 F601 L610 I623 V624 Q629 A630 V631F568-Y627 HydrophobicContact CB-CD1 4.09Å; F568-Y627 HydrophobicContact CB-CE1 3.73Å; F568-Y627 HydrophobicContact CD1-CD1 4.3Å; F568-Y627 HydrophobicContact CG-CD1 4.18Å; F568-Y627 HydrophobicContact CG-CE1 4.24Å; V571-Y627 HydrophobicContact CB-CE1 4.46Å; V571-Y627 HydrophobicContact CG1-CD1 4.08Å; V571-Y627 HydrophobicContact CG1-CE1 4.34Å; I572-Y627 HydrophobicContact CG1-CE1 3.97Å; I572-Y627 HydrophobicContact CG1-CE2 4.37Å; H600-Y627 VanDerWaalsContact CA-OH 3.29Å; H600-Y627 WeakPolarHBondContact CA-OH 3.36Å; F601-Y627 AromaticContact CD2-CE1 3.95Å; F601-Y627 HydrophobicContact CD2-CE1 3.95Å; F601-Y627 HydrophobicContact CD2-CE2 4.4Å; F601-Y627 AromaticContact CD2-CZ 3.7Å; F601-Y627 WeakPolarHBondContact CD2-OH 3.29Å; F601-Y627 PolarHBondContact N-OH 3.34Å; L610-Y627 HydrophobicContact CD2-CE2 4.13Å; I623-Y627 HydrophobicContact CG2-CD2 3.97Å; I623-Y627 HydrophobicContact CG2-CE2 4Å; I623-Y627 WeakPolarHBondContact O-CD2 3.43Å; I623-Y627 PolarHBondContact O-N 3.48Å; I623-Y627 VanDerWaalsContact O-N 3.11Å; V624-Y627 PolarHBondContact O-N 3.25Å; Y627-Q629 VanDerWaalsContact C-N 3.33Å; Y627-Q629 PolarHBondContact O-N 3.21Å; Y627-A630 PolarHBondContact O-N 3.21Å; Y627-V631 PolarHBondContact O-N 3Å
628Q94.1Very high93.7Very high38 Ų3852.9 Ų52.918%0.17826%0.255CS..Hα-helixtrans-59.6-45.2173.7173.8-169.7-16.700111V624 F625 A630 N632 H636V624-Q628 VanDerWaalsContact O-CB 3.29Å; V624-Q628 WeakPolarHBondContact O-CB 3.29Å; V624-Q628 PolarHBondContact O-N 2.86Å; F625-Q628 PolarHBondContact O-N 3.2Å; Q628-A630 VanDerWaalsContact C-N 3.32Å; Q628-N632 WeakPolarHBondContact O-CA 3.36Å; Q628-N632 PolarHBondContact O-N 2.83Å; Q628-H636 PolarHBondContact OE1-CE1 3.2Å; Q628-H636 PolarHBondContact OE1-NE2 2.75Å
629Q91.9Very high93.7Very high119 Ų11948.1 Ų48.156%0.55623%0.23SC*.Hα-helixtrans-64.9-37.4177.7-75.4-171.9-18.600112.1F625 A626 Y627F625-Q629 HydrophobicContact CD1-CG 4.47Å; F625-Q629 HydrophobicContact CE1-CG 4.23Å; F625-Q629 HydrophobicContact CZ-CG 4.26Å; F625-Q629 WeakPolarHBondContact O-CG 3.49Å; F625-Q629 PolarHBondContact O-N 2.9Å; A626-Q629 PolarHBondContact O-N 3.29Å; Y627-Q629 VanDerWaalsContact C-N 3.33Å; Y627-Q629 PolarHBondContact O-N 3.21Å
630A91.9Very high93.7Very high52 Ų5248.2 Ų48.243%0.4323%0.23SC..Hα-helixtrans-80.8-26.1-17700000113.8V571 I572 A626 Y627 Q628V571-A630 HydrophobicContact CG1-CB 3.28Å; I572-A630 HydrophobicContact CD1-CB 4.2Å; A626-A630 WeakPolarHBondContact O-CB 3.43Å; A626-A630 PolarHBondContact O-N 3.49Å; A626-A630 VanDerWaalsContact O-N 3.09Å; Y627-A630 PolarHBondContact O-N 3.21Å; Q628-A630 VanDerWaalsContact C-N 3.32Å
631V93.2Very high93.8Very high61 Ų6149.6 Ų49.637%0.3724%0.241SC..SBendtrans-116.7-84.2-179.2-172.80000111F568 V571 Y627 V635F568-V631 HydrophobicContact CD1-CG2 4.24Å; V571-V631 HydrophobicContact CB-CG2 4.34Å; V571-V631 HydrophobicContact CG1-CG2 3.48Å; V571-V631 VanDerWaalsContact CG1-CG2 3.48Å; V571-V631 HydrophobicContact CG2-CG2 3.84Å; Y627-V631 PolarHBondContact O-N 3Å; V631-V635 HydrophobicContact CB-CG2 4.01Å; V631-V635 HydrophobicContact CG2-CG2 4.49Å
632N92.9Very high93.9Very high72 Ų7248.2 Ų48.239%0.38523%0.234SC..  trans-176.6-177.9178.75637.4000110.1Q628 W634 V635Q628-N632 WeakPolarHBondContact O-CA 3.36Å; Q628-N632 PolarHBondContact O-N 2.83Å; N632-W634 PolarHBondContact O-N 3.15Å; N632-W634 VanDerWaalsContact OD1-CB 3.23Å; N632-W634 WeakPolarHBondContact OD1-CB 3.4Å; N632-W634 PolarHBondContact OD1-N 3.28Å; N632-V635 WeakPolarHBondContact O-CG2 3.42Å; N632-V635 PolarHBondContact O-N 2.83Å
633R92.4Very high93.9Very high131 Ų13148.1 Ų48.149%0.49423%0.233SC..THydrogen-bonded Turntrans-65.7-15.3178.7-62.8-178.1-176.4-175.2-4.6114.8V635 H636R633-V635 PolarHBondContact O-N 3.41Å; R633-H636 PolarHBondContact O-N 3.44Å; R633-H636 PolarHBondContact O-ND1 3.35Å
634W93Very high93.8Very high186 Ų18650.4 Ų50.471%0.70525%0.245SC*.THydrogen-bonded Turntrans-68.8-17.7-179.2-64.2102000113.2N632 H636 I637N632-W634 PolarHBondContact O-N 3.15Å; N632-W634 VanDerWaalsContact OD1-CB 3.23Å; N632-W634 WeakPolarHBondContact OD1-CB 3.4Å; N632-W634 PolarHBondContact OD1-N 3.28Å; W634-H636 PolarHBondContact O-N 3.42Å; W634-H636 VanDerWaalsContact O-N 3.15Å; W634-I637 HydrophobicContact CE3-CD1 3.44Å; W634-I637 VanDerWaalsContact CE3-CD1 3.44Å; W634-I637 HydrophobicContact CE3-CG1 4.3Å; W634-I637 HydrophobicContact CZ3-CD1 3.61Å; W634-I637 WeakPolarHBondContact O-CB 3.35Å; W634-I637 PolarHBondContact O-N 3.17Å
635V94.5Very high93.7Very high2 Ų253.2 Ų53.21%0.01226%0.257CS..Hα-helixtrans-51.8-35.3171.9175.20000111.7F568 V631 N632 R633 I637 Y638 M639F568-V635 HydrophobicContact CE1-CG2 3.83Å; F568-V635 HydrophobicContact CZ-CG1 4.47Å; F568-V635 HydrophobicContact CZ-CG2 4.35Å; V631-V635 HydrophobicContact CB-CG2 4.01Å; V631-V635 HydrophobicContact CG2-CG2 4.49Å; N632-V635 WeakPolarHBondContact O-CG2 3.42Å; N632-V635 PolarHBondContact O-N 2.83Å; R633-V635 PolarHBondContact O-N 3.41Å; V635-I637 PolarHBondContact O-N 3.31Å; V635-Y638 WeakPolarHBondContact O-CB 3.44Å; V635-Y638 PolarHBondContact O-N 2.7Å; V635-Y638 VanDerWaalsContact O-N 3.13Å; V635-M639 HydrophobicContact CG1-CE 3.95Å; V635-M639 HydrophobicContact CG1-CG 3.99Å; V635-M639 WeakPolarHBondContact O-CG 3.22Å; V635-M639 PolarHBondContact O-N 2.92Å; V635-M639 VanDerWaalsContact O-N 3.09Å
636H94.2Very high93.7Very high2 Ų248.5 Ų48.51%0.00924%0.236CC..Hα-helixtrans-57.5-34.3178.1-65109.6000113.1Y233 F237 V624 Q628 R633 W634 M639 I640Y233-H636 AromaticContact CZ-ND1 3.9Å; Y233-H636 WeakPolarHBondContact OH-CB 3.46Å; Y233-H636 VanDerWaalsContact OH-CG 3.23Å; Y233-H636 PolarHBondContact OH-ND1 3.14Å; F237-H636 AromaticContact CD1-NE2 3.9Å; F237-H636 AromaticContact CD2-CD2 3.58Å; F237-H636 AromaticContact CD2-NE2 3.98Å; F237-H636 AromaticContact CE1-NE2 3.7Å; F237-H636 AromaticContact CE2-CD2 3.25Å; F237-H636 WeakPolarHBondContact CE2-CD2 3.27Å; F237-H636 AromaticContact CE2-NE2 3.81Å; F237-H636 AromaticContact CZ-CD2 3.48Å; F237-H636 VanDerWaalsContact CZ-CD2 3.48Å; F237-H636 WeakPolarHBondContact CZ-CD2 3.44Å; F237-H636 AromaticContact CZ-NE2 3.66Å; V624-H636 VanDerWaalsContact CG1-CD2 3.49Å; V624-H636 WeakPolarHBondContact CG1-CD2 3.45Å; Q628-H636 PolarHBondContact OE1-CE1 3.2Å; Q628-H636 PolarHBondContact OE1-NE2 2.75Å; R633-H636 PolarHBondContact O-N 3.44Å; R633-H636 PolarHBondContact O-ND1 3.35Å; W634-H636 PolarHBondContact O-N 3.42Å; W634-H636 VanDerWaalsContact O-N 3.15Å; H636-M639 PolarHBondContact O-N 3.49Å; H636-I640 HydrophobicContact CB-CD1 4.35Å; H636-I640 VanDerWaalsContact O-CB 3.27Å; H636-I640 WeakPolarHBondContact O-CB 3.32Å; H636-I640 WeakPolarHBondContact O-CG1 3.17Å; H636-I640 PolarHBondContact O-N 3.38Å
637I95Very high93.7Very high104 Ų10449.4 Ų49.453%0.53324%0.241SC..Hα-helixtrans-63.9-45.6178.3-60.8-168.1000110.4W634 V635 M639 S641W634-I637 HydrophobicContact CE3-CD1 3.44Å; W634-I637 VanDerWaalsContact CE3-CD1 3.44Å; W634-I637 HydrophobicContact CE3-CG1 4.3Å; W634-I637 HydrophobicContact CZ3-CD1 3.61Å; W634-I637 WeakPolarHBondContact O-CB 3.35Å; W634-I637 PolarHBondContact O-N 3.17Å; V635-I637 PolarHBondContact O-N 3.31Å; I637-M639 VanDerWaalsContact C-N 3.35Å; I637-M639 PolarHBondContact O-N 3.35Å; I637-S641 WeakPolarHBondContact O-CB 3.32Å; I637-S641 PolarHBondContact O-N 3.49Å; I637-S641 PolarHBondContact O-OG 2.94Å
638Y96Very high93.4Very high14 Ų1449.7 Ų49.76%0.05524%0.243CC..Hα-helixtrans-59.1-48.3176.3175.6-89.5000110.8Y560 L563 L567 F568 F601 V635 S641 W642Y560-Y638 HydrophobicContact CD1-CD2 4.39Å; Y560-Y638 AromaticContact CD1-CE2 3.74Å; Y560-Y638 HydrophobicContact CD1-CE2 3.74Å; Y560-Y638 AromaticContact CD1-CZ 3.9Å; Y560-Y638 HydrophobicContact CE1-CE2 4.37Å; Y560-Y638 PolarHBondContact O-OH 3.13Å; L563-Y638 HydrophobicContact CB-CE2 4.36Å; L563-Y638 HydrophobicContact CD2-CD2 4.16Å; L563-Y638 HydrophobicContact CD2-CE2 4.04Å; L563-Y638 HydrophobicContact CG-CD2 4.43Å; L563-Y638 HydrophobicContact CG-CE2 4.11Å; L567-Y638 HydrophobicContact CD1-CD2 4.12Å; F568-Y638 AromaticContact CE2-CD1 3.66Å; F568-Y638 HydrophobicContact CE2-CD1 3.66Å; F568-Y638 HydrophobicContact CE2-CD2 4.02Å; F568-Y638 AromaticContact CE2-CE1 3.91Å; F568-Y638 HydrophobicContact CE2-CE1 3.91Å; F568-Y638 HydrophobicContact CE2-CE2 4.24Å; F568-Y638 AromaticContact CE2-CG 3.71Å; F568-Y638 HydrophobicContact CE2-CG 3.71Å; F568-Y638 HydrophobicContact CZ-CD1 4.24Å; F568-Y638 HydrophobicContact CZ-CG 4.04Å; F601-Y638 HydrophobicContact CE2-CE1 4.29Å; F601-Y638 AromaticContact CZ-CE1 3.86Å; F601-Y638 HydrophobicContact CZ-CE1 3.86Å; V635-Y638 WeakPolarHBondContact O-CB 3.44Å; V635-Y638 PolarHBondContact O-N 2.7Å; V635-Y638 VanDerWaalsContact O-N 3.13Å; Y638-S641 PolarHBondContact O-N 3.39Å; Y638-S641 PolarHBondContact O-OG 2.97Å; Y638-W642 PolarHBondContact O-N 3.41Å
639M94.7Very high93.1Very high2 Ų248 Ų481%0.0124%0.236CC..Hα-helixtrans-68-42.7-176.1-60.3-65.9171.300112.7F601 L614 W620 V624 V635 H636 I637 W642 W643F601-M639 HydrophobicContact CE2-CE 4.25Å; L614-M639 HydrophobicContact CD1-CE 4.27Å; L614-M639 HydrophobicContact CD1-SD 3.54Å; L614-M639 VanDerWaalsContact CD1-SD 3.54Å; L614-M639 HydrophobicContact CD2-SD 4.2Å; W620-M639 HydrophobicContact CZ3-CB 4.28Å; V624-M639 HydrophobicContact CB-CG 4.49Å; V624-M639 HydrophobicContact CG1-CG 4.24Å; V624-M639 HydrophobicContact CG2-CB 3.93Å; V624-M639 HydrophobicContact CG2-CG 3.59Å; V624-M639 HydrophobicContact CG2-SD 4.04Å; V635-M639 HydrophobicContact CG1-CE 3.95Å; V635-M639 HydrophobicContact CG1-CG 3.99Å; V635-M639 WeakPolarHBondContact O-CG 3.22Å; V635-M639 PolarHBondContact O-N 2.92Å; V635-M639 VanDerWaalsContact O-N 3.09Å; H636-M639 PolarHBondContact O-N 3.49Å; I637-M639 VanDerWaalsContact C-N 3.35Å; I637-M639 PolarHBondContact O-N 3.35Å; M639-W642 PolarHBondContact O-N 2.94Å; M639-W643 PolarHBondContact O-N 3.17Å
640I93.5Very high93Very high50 Ų5042.4 Ų42.426%0.25621%0.21SC..Hα-helixtrans-66.5-39.6176-66.6169000110.2L240 H636 W642 W643 L644L240-I640 HydrophobicContact CD2-CD1 3.99Å; L240-I640 HydrophobicContact CD2-CG1 4.02Å; H636-I640 HydrophobicContact CB-CD1 4.35Å; H636-I640 VanDerWaalsContact O-CB 3.27Å; H636-I640 WeakPolarHBondContact O-CB 3.32Å; H636-I640 WeakPolarHBondContact O-CG1 3.17Å; H636-I640 PolarHBondContact O-N 3.38Å; I640-W642 VanDerWaalsContact C-N 3.35Å; I640-W642 PolarHBondContact O-N 3.47Å; I640-W643 PolarHBondContact O-N 2.94Å; I640-L644 HydrophobicContact CG2-CD1 3.91Å; I640-L644 HydrophobicContact CG2-CG 4.23Å; I640-L644 WeakPolarHBondContact O-CB 3.41Å; I640-L644 WeakPolarHBondContact O-CG 3.29Å; I640-L644 PolarHBondContact O-N 2.95Å
641S94.9Very high93Very high41 Ų4142.3 Ų42.329%0.28720%0.201SC..Hα-helixtrans-62.9-40.5176.9730000112.4Y560 I637 Y638 F645Y560-S641 PolarHBondContact OH-O 3.29Å; Y560-S641 PolarHBondContact OH-OG 3.1Å; I637-S641 WeakPolarHBondContact O-CB 3.32Å; I637-S641 PolarHBondContact O-N 3.49Å; I637-S641 PolarHBondContact O-OG 2.94Å; Y638-S641 PolarHBondContact O-N 3.39Å; Y638-S641 PolarHBondContact O-OG 2.97Å; S641-F645 VanDerWaalsContact O-CB 3.26Å; S641-F645 WeakPolarHBondContact O-CB 3.34Å; S641-F645 PolarHBondContact O-N 3Å
642W96.3Very high92.8Very high3 Ų340.7 Ų40.71%0.01119%0.191CC..Hα-helixtrans-60.9-50.8172.8170.9-103.9000111.7F557 Y560 L611 M615 Y638 M639 I640 L644 F645 V646F557-W642 AromaticContact CD1-CH2 3.92Å; F557-W642 HydrophobicContact CD1-CH2 3.92Å; F557-W642 AromaticContact CD2-CH2 3.91Å; F557-W642 HydrophobicContact CD2-CH2 3.91Å; F557-W642 AromaticContact CE1-CH2 3.89Å; F557-W642 HydrophobicContact CE1-CH2 3.89Å; F557-W642 HydrophobicContact CE1-CZ2 4.11Å; F557-W642 AromaticContact CE2-CH2 3.88Å; F557-W642 HydrophobicContact CE2-CH2 3.88Å; F557-W642 HydrophobicContact CE2-CZ2 4.28Å; F557-W642 AromaticContact CG-CH2 3.94Å; F557-W642 HydrophobicContact CG-CH2 3.94Å; F557-W642 AromaticContact CZ-CH2 3.86Å; F557-W642 HydrophobicContact CZ-CH2 3.86Å; F557-W642 AromaticContact CZ-CZ2 3.95Å; F557-W642 HydrophobicContact CZ-CZ2 3.95Å; Y560-W642 HydrophobicContact CD1-CB 4.18Å; Y560-W642 AromaticContact CD1-CE3 3.73Å; Y560-W642 HydrophobicContact CD1-CE3 3.73Å; Y560-W642 AromaticContact CD2-CE3 3.72Å; Y560-W642 HydrophobicContact CD2-CE3 3.72Å; Y560-W642 AromaticContact CD2-CZ3 3.95Å; Y560-W642 HydrophobicContact CD2-CZ3 3.95Å; Y560-W642 HydrophobicContact CE1-CB 3.93Å; Y560-W642 HydrophobicContact CE1-CE3 4.23Å; Y560-W642 HydrophobicContact CE2-CE3 4.23Å; Y560-W642 AromaticContact CG-CE3 3.44Å; Y560-W642 HydrophobicContact CG-CE3 3.44Å; Y560-W642 VanDerWaalsContact CG-CE3 3.44Å; Y560-W642 AromaticContact CG-CZ3 3.82Å; Y560-W642 HydrophobicContact CG-CZ3 3.82Å; L611-W642 HydrophobicContact CB-CH2 3.79Å; L611-W642 HydrophobicContact CB-CZ2 3.72Å; L611-W642 HydrophobicContact CB-CZ3 4.46Å; L611-W642 HydrophobicContact CD1-CH2 4.14Å; L611-W642 HydrophobicContact CD1-CZ3 4.1Å; L611-W642 HydrophobicContact CD2-CD2 3.8Å; L611-W642 HydrophobicContact CD2-CE3 3.84Å; L611-W642 HydrophobicContact CD2-CG 4.39Å; L611-W642 HydrophobicContact CD2-CH2 4.08Å; L611-W642 HydrophobicContact CD2-CZ2 4.06Å; L611-W642 HydrophobicContact CD2-CZ3 3.97Å; L611-W642 HydrophobicContact CG-CH2 4.23Å; L611-W642 HydrophobicContact CG-CZ2 4.38Å; L611-W642 HydrophobicContact CG-CZ3 4.42Å; L611-W642 WeakPolarHBondContact O-CZ2 3.44Å; M615-W642 HydrophobicContact CB-CZ2 4.1Å; Y638-W642 PolarHBondContact O-N 3.41Å; M639-W642 PolarHBondContact O-N 2.94Å; I640-W642 VanDerWaalsContact C-N 3.35Å; I640-W642 PolarHBondContact O-N 3.47Å; W642-L644 PolarHBondContact O-N 2.87Å; W642-F645 PolarHBondContact O-N 3.05Å; W642-V646 HydrophobicContact CD2-CB 4.33Å; W642-V646 HydrophobicContact CD2-CG2 4Å; W642-V646 HydrophobicContact CE3-CB 4.39Å; W642-V646 HydrophobicContact CE3-CG2 3.57Å; W642-V646 HydrophobicContact CH2-CB 4.36Å; W642-V646 HydrophobicContact CH2-CG1 4.23Å; W642-V646 HydrophobicContact CH2-CG2 3.76Å; W642-V646 HydrophobicContact CZ2-CB 4.25Å; W642-V646 HydrophobicContact CZ2-CG1 4.07Å; W642-V646 HydrophobicContact CZ2-CG2 4.13Å; W642-V646 HydrophobicContact CZ3-CB 4.43Å; W642-V646 HydrophobicContact CZ3-CG2 3.47Å; W642-V646 VanDerWaalsContact CZ3-CG2 3.47Å; W642-V646 WeakPolarHBondContact O-CB 3.48Å; W642-V646 PolarHBondContact O-N 3.17Å
643W94.3Very high92.4Very high23 Ų2337.5 Ų37.59%0.08717%0.174CC..Iπ-helixtrans-59.1-46.6179.617674.6000112.1L194 L240 T244 M639 I640 V647 V648L194-W643 HydrophobicContact CD2-CH2 4.34Å; L240-W643 HydrophobicContact CD1-CH2 4.11Å; L240-W643 HydrophobicContact CD1-CZ3 4.04Å; T244-W643 HydrophobicContact CG2-CZ2 4.15Å; M639-W643 PolarHBondContact O-N 3.17Å; I640-W643 PolarHBondContact O-N 2.94Å; W643-V647 WeakPolarHBondContact O-CA 3.37Å; W643-V647 VanDerWaalsContact O-CB 3.29Å; W643-V647 WeakPolarHBondContact O-CB 3.12Å; W643-V647 PolarHBondContact O-N 3.1Å; W643-V648 HydrophobicContact CD2-CG2 4.22Å; W643-V648 HydrophobicContact CE3-CG2 4.41Å; W643-V648 HydrophobicContact CH2-CG2 4Å; W643-V648 HydrophobicContact CZ2-CG2 3.79Å; W643-V648 HydrophobicContact CZ3-CG2 4.31Å; W643-V648 PolarHBondContact O-N 3.47Å
644L91.6Very high92.1Very high54 Ų5432 Ų3228%0.28316%0.155SC..Iπ-helixtrans-64.1-45.1178.1-73175.7000112.4L191 I640 W642 V648 G649L191-L644 HydrophobicContact CD1-CD2 4.04Å; L191-L644 HydrophobicContact CD2-CD2 3.54Å; L191-L644 HydrophobicContact CG-CD2 4.45Å; I640-L644 HydrophobicContact CG2-CD1 3.91Å; I640-L644 HydrophobicContact CG2-CG 4.23Å; I640-L644 WeakPolarHBondContact O-CB 3.41Å; I640-L644 WeakPolarHBondContact O-CG 3.29Å; I640-L644 PolarHBondContact O-N 2.95Å; W642-L644 PolarHBondContact O-N 2.87Å; L644-V648 WeakPolarHBondContact O-CB 3.22Å; L644-G649 PolarHBondContact O-N 3.25Å; L644-G649 VanDerWaalsContact O-N 3.09Å
645F91.8Very high91.9Very high59 Ų5926.1 Ų26.126%0.25914%0.139SC..Iπ-helixtrans-73.9-48.3-174.5-173.3-114.2000112.2Y180 A556 Y560 S641 W642 G649 I650Y180-F645 HydrophobicContact CD1-CE2 4.49Å; Y180-F645 HydrophobicContact CE1-CD2 4.08Å; Y180-F645 AromaticContact CE1-CE2 3.7Å; Y180-F645 HydrophobicContact CE1-CE2 3.7Å; Y180-F645 AromaticContact CZ-CD2 3.9Å; Y180-F645 AromaticContact CZ-CE2 3.89Å; Y180-F645 WeakPolarHBondContact OH-CD2 3.31Å; A556-F645 HydrophobicContact CB-CD1 4.14Å; A556-F645 HydrophobicContact CB-CE1 3.65Å; Y560-F645 AromaticContact CE2-CD1 3.99Å; Y560-F645 HydrophobicContact CE2-CD1 3.99Å; S641-F645 VanDerWaalsContact O-CB 3.26Å; S641-F645 WeakPolarHBondContact O-CB 3.34Å; S641-F645 PolarHBondContact O-N 3Å; W642-F645 PolarHBondContact O-N 3.05Å; F645-G649 WeakPolarHBondContact O-CA 3.49Å; F645-I650 HydrophobicContact CD1-CD1 4.08Å; F645-I650 HydrophobicContact CE1-CD1 3.71Å; F645-I650 HydrophobicContact CZ-CD1 4.1Å; F645-I650 PolarHBondContact O-N 2.98Å; F645-I650 VanDerWaalsContact O-N 3.09Å
646V93.8Very high91.4Very high0 Ų026.1 Ų26.10%014%0.14CC..Iπ-helixtrans-89.5-53.5-172.8179.30000111.8L553 A556 M615 W642 I650 L651L553-V646 HydrophobicContact CD1-CG1 3.79Å; A556-V646 HydrophobicContact CB-CG2 4.18Å; M615-V646 HydrophobicContact CG-CG1 3.97Å; M615-V646 HydrophobicContact SD-CG1 3.97Å; W642-V646 HydrophobicContact CD2-CB 4.33Å; W642-V646 HydrophobicContact CD2-CG2 4Å; W642-V646 HydrophobicContact CE3-CB 4.39Å; W642-V646 HydrophobicContact CE3-CG2 3.57Å; W642-V646 HydrophobicContact CH2-CB 4.36Å; W642-V646 HydrophobicContact CH2-CG1 4.23Å; W642-V646 HydrophobicContact CH2-CG2 3.76Å; W642-V646 HydrophobicContact CZ2-CB 4.25Å; W642-V646 HydrophobicContact CZ2-CG1 4.07Å; W642-V646 HydrophobicContact CZ2-CG2 4.13Å; W642-V646 HydrophobicContact CZ3-CB 4.43Å; W642-V646 HydrophobicContact CZ3-CG2 3.47Å; W642-V646 VanDerWaalsContact CZ3-CG2 3.47Å; W642-V646 WeakPolarHBondContact O-CB 3.48Å; W642-V646 PolarHBondContact O-N 3.17Å; V646-I650 HydrophobicContact CG2-CD1 4.48Å; V646-I650 PolarHBondContact O-N 3.38Å; V646-I650 VanDerWaalsContact O-N 3.1Å; V646-L651 PolarHBondContact O-N 3.13Å
647V92.7Very high90.8Very high24 Ų2426.4 Ų26.415%0.14514%0.141CC..Iπ-helixtrans-75.2-55-173.8-1770000110.7M615 V617 W643 L651M615-V647 HydrophobicContact CG-CG2 4.31Å; V617-V647 HydrophobicContact CG2-CG1 3.98Å; V617-V647 HydrophobicContact CG2-CG2 4.09Å; W643-V647 WeakPolarHBondContact O-CA 3.37Å; W643-V647 VanDerWaalsContact O-CB 3.29Å; W643-V647 WeakPolarHBondContact O-CB 3.12Å; W643-V647 PolarHBondContact O-N 3.1Å; V647-L651 HydrophobicContact CG1-CD1 4.39Å; V647-L651 HydrophobicContact CG2-CD1 4.48Å; V647-L651 WeakPolarHBondContact O-CB 3.37Å
648V89.3Confident90.3Very high7 Ų724.5 Ų24.54%0.04213%0.131CC..Iπ-helixtrans-72.5-34.4-179.8169.70000112.1L191 L281 W643 L644 N652L191-V648 HydrophobicContact CD2-CG1 4.45Å; L281-V648 HydrophobicContact CD2-CG1 3.43Å; L281-V648 VanDerWaalsContact CD2-CG1 3.43Å; L281-V648 HydrophobicContact CD2-CG2 4.49Å; L281-V648 HydrophobicContact CG-CG1 4.17Å; W643-V648 HydrophobicContact CD2-CG2 4.22Å; W643-V648 HydrophobicContact CE3-CG2 4.41Å; W643-V648 HydrophobicContact CH2-CG2 4Å; W643-V648 HydrophobicContact CZ2-CG2 3.79Å; W643-V648 HydrophobicContact CZ3-CG2 4.31Å; W643-V648 PolarHBondContact O-N 3.47Å; L644-V648 WeakPolarHBondContact O-CB 3.22Å; V648-N652 WeakPolarHBondContact O-CB 3.41Å; V648-N652 PolarHBondContact O-ND2 3.43Å
649G88.3Confident89.8Confident2 Ų227.3 Ų27.32%0.02115%0.146CC..Iπ-helixtrans-88.4-76.6-177.500000114.2L644 F645 L653L644-G649 PolarHBondContact O-N 3.25Å; L644-G649 VanDerWaalsContact O-N 3.09Å; F645-G649 WeakPolarHBondContact O-CA 3.49Å; G649-L653 PolarHBondContact O-N 3.19Å; G649-L653 VanDerWaalsContact O-N 3.15Å
650I90Very high89.1Confident2 Ų228.1 Ų28.11%0.0115%0.15CC..Iπ-helixtrans-71.8-38.9-168.1-62.1169.3000112.7I552 L553 A556 F645 V646 L653 T654I552-I650 HydrophobicContact CG2-CD1 4.09Å; L553-I650 HydrophobicContact CB-CG2 4.11Å; L553-I650 HydrophobicContact CD1-CB 4.49Å; L553-I650 HydrophobicContact CD1-CG2 3.86Å; A556-I650 HydrophobicContact CB-CD1 3.91Å; F645-I650 HydrophobicContact CD1-CD1 4.08Å; F645-I650 HydrophobicContact CE1-CD1 3.71Å; F645-I650 HydrophobicContact CZ-CD1 4.1Å; F645-I650 PolarHBondContact O-N 2.98Å; F645-I650 VanDerWaalsContact O-N 3.09Å; V646-I650 HydrophobicContact CG2-CD1 4.48Å; V646-I650 PolarHBondContact O-N 3.38Å; V646-I650 VanDerWaalsContact O-N 3.1Å; I650-L653 WeakPolarHBondContact O-CB 3.49Å; I650-L653 PolarHBondContact O-N 3.34Å; I650-T654 PolarHBondContact O-N 2.68Å; I650-T654 PolarHBondContact O-OG1 3.12Å
651L90.9Very high88.3Confident49 Ų4926.1 Ų26.126%0.25714%0.141SC..Iπ-helixtrans-66.3-44178.4-73.7-173.8000111.3M615 V646 V647 L653 T654 T655M615-L651 HydrophobicContact CG-CD1 3.69Å; M615-L651 HydrophobicContact CG-CG 4.36Å; M615-L651 HydrophobicContact SD-CD1 4.14Å; M615-L651 HydrophobicContact SD-CD2 4.01Å; M615-L651 HydrophobicContact SD-CG 4.31Å; V646-L651 PolarHBondContact O-N 3.13Å; V647-L651 HydrophobicContact CG1-CD1 4.39Å; V647-L651 HydrophobicContact CG2-CD1 4.48Å; V647-L651 WeakPolarHBondContact O-CB 3.37Å; L651-L653 VanDerWaalsContact C-N 3.26Å; L651-L653 PolarHBondContact O-N 3.32Å; L651-T654 WeakPolarHBondContact O-CA 3.37Å; L651-T654 WeakPolarHBondContact O-CB 3.19Å; L651-T654 PolarHBondContact O-N 2.98Å; L651-T655 PolarHBondContact O-N 3.21Å; L651-T655 PolarHBondContact O-OG1 3.48Å; L651-T655 VanDerWaalsContact O-OG1 3.13Å
652N88.6Confident87.6Confident27 Ų2727.8 Ų27.814%0.14414%0.143CC..Hα-helixtrans-60-37.6173.7-75.2-21000112.3T282 V285 V648 A656T282-N652 PolarHBondContact OG1-OD1 3.01Å; V285-N652 HydrophobicContact CB-CB 4.33Å; V285-N652 HydrophobicContact CG1-CB 4.11Å; V285-N652 HydrophobicContact CG2-CB 4.39Å; V648-N652 WeakPolarHBondContact O-CB 3.41Å; V648-N652 PolarHBondContact O-ND2 3.43Å; N652-A656 WeakPolarHBondContact O-CB 2.98Å; N652-A656 PolarHBondContact O-N 3.37Å
653L85.5Confident86.9Confident5 Ų530.2 Ų30.23%0.02616%0.156CC..Hα-helixtrans-64.4-40.1172.9-172.869.2000112.4V176 V285 F289 G649 I650 L651 A656 F657V176-L653 HydrophobicContact CG1-CD2 3.87Å; V285-L653 HydrophobicContact CG1-CB 4.41Å; V285-L653 HydrophobicContact CG1-CD1 4.44Å; F289-L653 HydrophobicContact CB-CD1 3.84Å; F289-L653 HydrophobicContact CD2-CD1 3.28Å; F289-L653 HydrophobicContact CD2-CG 4.32Å; F289-L653 HydrophobicContact CE2-CD1 4.04Å; F289-L653 HydrophobicContact CG-CD1 3.64Å; G649-L653 PolarHBondContact O-N 3.19Å; G649-L653 VanDerWaalsContact O-N 3.15Å; I650-L653 WeakPolarHBondContact O-CB 3.49Å; I650-L653 PolarHBondContact O-N 3.34Å; L651-L653 VanDerWaalsContact C-N 3.26Å; L651-L653 PolarHBondContact O-N 3.32Å; L653-A656 PolarHBondContact O-N 3.47Å; L653-F657 PolarHBondContact O-N 3.01Å
654T86.4Confident85.7Confident17 Ų1730.3 Ų30.310%0.10416%0.157CC..Hα-helixtrans-65.9-45.7177.7-55.20000110.8L546 V549 I650 L651 A656 F657 I658L546-T654 HydrophobicContact CD1-CG2 4.29Å; L546-T654 HydrophobicContact CD2-CG2 4.09Å; V549-T654 VanDerWaalsContact CG1-OG1 3.24Å; V549-T654 WeakPolarHBondContact CG1-OG1 3.27Å; I650-T654 PolarHBondContact O-N 2.68Å; I650-T654 PolarHBondContact O-OG1 3.12Å; L651-T654 WeakPolarHBondContact O-CA 3.37Å; L651-T654 WeakPolarHBondContact O-CB 3.19Å; L651-T654 PolarHBondContact O-N 2.98Å; T654-A656 VanDerWaalsContact C-N 3.31Å; T654-A656 PolarHBondContact O-N 3.12Å; T654-F657 WeakPolarHBondContact O-CB 3.46Å; T654-F657 PolarHBondContact O-N 3.1Å; T654-I658 HydrophobicContact CG2-CD1 4.05Å; T654-I658 WeakPolarHBondContact O-CG1 3.45Å; T654-I658 PolarHBondContact O-N 3.24Å
655T87.8Confident84.7Confident61 Ų6128.3 Ų28.337%0.37415%0.146SC..Hα-helixtrans-58.6-44.5174-59.30000110.9L651 F657 I658 I659L651-T655 PolarHBondContact O-N 3.21Å; L651-T655 PolarHBondContact O-OG1 3.48Å; L651-T655 VanDerWaalsContact O-OG1 3.13Å; T655-F657 VanDerWaalsContact C-N 3.32Å; T655-F657 PolarHBondContact O-N 2.93Å; T655-I658 PolarHBondContact O-N 2.93Å; T655-I659 HydrophobicContact CG2-CD1 3.83Å; T655-I659 HydrophobicContact CG2-CG1 4.45Å; T655-I659 VanDerWaalsContact O-CG1 3.3Å; T655-I659 WeakPolarHBondContact O-CG1 3.48Å; T655-I659 PolarHBondContact O-N 3.11Å
656A84.3Confident84Confident3 Ų331.7 Ų31.73%0.02516%0.157CC..Hα-helixtrans-60.2-42.3176.800000112.7Y286 F289 N652 L653 T654 I659 E660Y286-A656 HydrophobicContact CD2-CB 3.68Å; Y286-A656 HydrophobicContact CG-CB 4.37Å; F289-A656 HydrophobicContact CB-CB 4.41Å; F289-A656 HydrophobicContact CD1-CB 4.04Å; F289-A656 HydrophobicContact CG-CB 4.48Å; N652-A656 WeakPolarHBondContact O-CB 2.98Å; N652-A656 PolarHBondContact O-N 3.37Å; L653-A656 PolarHBondContact O-N 3.47Å; T654-A656 VanDerWaalsContact C-N 3.31Å; T654-A656 PolarHBondContact O-N 3.12Å; A656-I659 PolarHBondContact O-N 3.46Å; A656-E660 PolarHBondContact O-N 2.97Å
657F81.4Confident83.1Confident7 Ų735.7 Ų35.73%0.03118%0.178CC..Hα-helixtrans-62-45175.5-172.7-77.1000112.7F289 N545 L546 V549 L653 T654 T655 E660 S661 L745F289-F657 HydrophobicContact CE1-CB 4Å; F289-F657 AromaticContact CE1-CD2 3.88Å; F289-F657 HydrophobicContact CE1-CD2 3.88Å; F289-F657 HydrophobicContact CE1-CG 4.36Å; F289-F657 HydrophobicContact CZ-CB 4.29Å; F289-F657 AromaticContact CZ-CD2 3.52Å; F289-F657 HydrophobicContact CZ-CD2 3.52Å; F289-F657 HydrophobicContact CZ-CE2 4.3Å; F289-F657 HydrophobicContact CZ-CG 4.37Å; N545-F657 HydrophobicContact CB-CE1 3.58Å; N545-F657 HydrophobicContact CB-CZ 3.62Å; N545-F657 WeakPolarHBondContact O-CZ 3.27Å; L546-F657 HydrophobicContact CD2-CB 3.79Å; L546-F657 HydrophobicContact CD2-CD1 3.11Å; L546-F657 HydrophobicContact CD2-CD2 4.32Å; L546-F657 HydrophobicContact CD2-CE1 3.75Å; L546-F657 HydrophobicContact CD2-CG 3.47Å; L546-F657 VanDerWaalsContact CD2-CG 3.47Å; L546-F657 HydrophobicContact CG-CD1 3.68Å; L546-F657 HydrophobicContact CG-CE1 3.9Å; L546-F657 HydrophobicContact CG-CG 4.48Å; V549-F657 HydrophobicContact CG2-CD2 4.27Å; L653-F657 PolarHBondContact O-N 3.01Å; T654-F657 WeakPolarHBondContact O-CB 3.46Å; T654-F657 PolarHBondContact O-N 3.1Å; T655-F657 VanDerWaalsContact C-N 3.32Å; T655-F657 PolarHBondContact O-N 2.93Å; F657-E660 PolarHBondContact O-N 2.95Å; F657-S661 WeakPolarHBondContact CD1-OG 3.43Å; F657-S661 WeakPolarHBondContact CE1-OG 3.47Å; F657-S661 VanDerWaalsContact O-CB 3.32Å; F657-S661 WeakPolarHBondContact O-CB 3.44Å; F657-S661 PolarHBondContact O-N 3.34Å; F657-S661 PolarHBondContact O-OG 3.4Å; F657-L745 HydrophobicContact CZ-CD1 4.31Å
658I84.1Confident81.9Confident64 Ų6435.9 Ų35.933%0.32818%0.178SC..Hα-helixtrans-62.5-45.6179.5-68164.6000110.1L542 L546 T654 T655 S661 F662L542-I658 HydrophobicContact CD1-CG1 3.91Å; L542-I658 HydrophobicContact CD2-CD1 4.44Å; L542-I658 HydrophobicContact CD2-CG1 4.14Å; L546-I658 HydrophobicContact CD1-CD1 4.31Å; L546-I658 HydrophobicContact CD1-CG1 4.05Å; T654-I658 HydrophobicContact CG2-CD1 4.05Å; T654-I658 WeakPolarHBondContact O-CG1 3.45Å; T654-I658 PolarHBondContact O-N 3.24Å; T655-I658 PolarHBondContact O-N 2.93Å; I658-S661 PolarHBondContact O-N 3.37Å; I658-F662 WeakPolarHBondContact O-CB 3.39Å; I658-F662 PolarHBondContact O-N 3.25Å
659I85.5Confident80.9Confident73 Ų7339.1 Ų39.137%0.37419%0.193SC..Hα-helixtrans-60.3-50.7178.5-68.7168.9000110.5Y286 T655 A656 S661 F662 L663Y286-I659 HydrophobicContact CE2-CB 4.07Å; Y286-I659 HydrophobicContact CE2-CG2 3.7Å; T655-I659 HydrophobicContact CG2-CD1 3.83Å; T655-I659 HydrophobicContact CG2-CG1 4.45Å; T655-I659 VanDerWaalsContact O-CG1 3.3Å; T655-I659 WeakPolarHBondContact O-CG1 3.48Å; T655-I659 PolarHBondContact O-N 3.11Å; A656-I659 PolarHBondContact O-N 3.46Å; I659-S661 VanDerWaalsContact C-N 3.32Å; I659-S661 PolarHBondContact O-N 2.99Å; I659-F662 PolarHBondContact O-N 2.92Å; I659-L663 HydrophobicContact CG2-CD1 3.64Å; I659-L663 HydrophobicContact CG2-CG 4.1Å; I659-L663 WeakPolarHBondContact O-CB 3.49Å; I659-L663 VanDerWaalsContact O-CG 3.29Å; I659-L663 WeakPolarHBondContact O-CG 3.4Å; I659-L663 PolarHBondContact O-N 2.87Å
660E80.6Confident80Confident19 Ų1942.3 Ų42.39%0.08921%0.213CC..Hα-helixtrans-61.3-42.4179.8-171.272.8-143.300111.3Y286 S290 L293 A656 F657 F662 H664Y286-E660 PolarHBondContact OH-OE2 3.44Å; S290-E660 WeakPolarHBondContact CB-OE2 3.25Å; S290-E660 PolarHBondContact OG-OE2 3.46Å; L293-E660 HydrophobicContact CD2-CG 4.13Å; A656-E660 PolarHBondContact O-N 2.97Å; F657-E660 PolarHBondContact O-N 2.95Å; E660-F662 PolarHBondContact O-N 3.26Å; E660-H664 VanDerWaalsContact O-CB 3.26Å; E660-H664 WeakPolarHBondContact O-CB 3.26Å; E660-H664 PolarHBondContact O-N 2.86Å
661S77Confident78.7Confident9 Ų946.4 Ų46.46%0.06324%0.236CC..Hα-helixtrans-62.4-43177.1-61.10000112F657 I658 I659 R665F657-S661 WeakPolarHBondContact CD1-OG 3.43Å; F657-S661 WeakPolarHBondContact CE1-OG 3.47Å; F657-S661 VanDerWaalsContact O-CB 3.32Å; F657-S661 WeakPolarHBondContact O-CB 3.44Å; F657-S661 PolarHBondContact O-N 3.34Å; F657-S661 PolarHBondContact O-OG 3.4Å; I658-S661 PolarHBondContact O-N 3.37Å; I659-S661 VanDerWaalsContact C-N 3.32Å; I659-S661 PolarHBondContact O-N 2.99Å; S661-R665 VanDerWaalsContact O-CG 3.22Å; S661-R665 WeakPolarHBondContact O-CG 3.37Å; S661-R665 PolarHBondContact O-N 2.93Å
662F80.2Confident77.2Confident75 Ų7546.5 Ų46.533%0.32924%0.236SC..Hα-helixtrans-70.3-48.6-180179.3-92.3000112.3L534 V538 I658 I659 E660 H664 R665 R666L534-F662 HydrophobicContact CD2-CE2 4.22Å; L534-F662 HydrophobicContact CD2-CZ 4.26Å; V538-F662 HydrophobicContact CB-CD2 4.46Å; V538-F662 HydrophobicContact CG1-CB 4.4Å; V538-F662 HydrophobicContact CG1-CD2 4.19Å; V538-F662 HydrophobicContact CG2-CD2 3.97Å; I658-F662 WeakPolarHBondContact O-CB 3.39Å; I658-F662 PolarHBondContact O-N 3.25Å; I659-F662 PolarHBondContact O-N 2.92Å; E660-F662 PolarHBondContact O-N 3.26Å; F662-H664 PolarHBondContact O-N 3.36Å; F662-R665 PolarHBondContact O-N 3.12Å; F662-R665 VanDerWaalsContact O-N 3.17Å; F662-R666 PolarHBondContact O-N 2.83Å
663L81.3Confident75.8Confident55 Ų5547.6 Ų47.629%0.28825%0.245SC..Hα-helixtrans-55.5-45.7177.8-73.9176.2000110.3I659 R665 R666 D667I659-L663 HydrophobicContact CG2-CD1 3.64Å; I659-L663 HydrophobicContact CG2-CG 4.1Å; I659-L663 WeakPolarHBondContact O-CB 3.49Å; I659-L663 VanDerWaalsContact O-CG 3.29Å; I659-L663 WeakPolarHBondContact O-CG 3.4Å; I659-L663 PolarHBondContact O-N 2.87Å; L663-R665 PolarHBondContact O-N 3.41Å; L663-R666 WeakPolarHBondContact O-CB 3.47Å; L663-R666 PolarHBondContact O-N 3.49Å; L663-D667 VanDerWaalsContact O-CG 3.22Å; L663-D667 PolarHBondContact O-N 3.2Å
664H69.3Low74.5Confident24 Ų2449.7 Ų49.711%0.11126%0.264CS..Hα-helixtrans-62.2-42.2179.2-172.466.7000113.2E660 F662 R666 D667 L668 I748E660-H664 VanDerWaalsContact O-CB 3.26Å; E660-H664 WeakPolarHBondContact O-CB 3.26Å; E660-H664 PolarHBondContact O-N 2.86Å; F662-H664 PolarHBondContact O-N 3.36Å; H664-R666 VanDerWaalsContact C-N 3.32Å; H664-R666 PolarHBondContact O-N 2.89Å; H664-D667 PolarHBondContact O-N 2.8Å; H664-L668 WeakPolarHBondContact NE2-CD1 3Å; H664-L668 WeakPolarHBondContact NE2-CG 3.29Å; H664-L668 PolarHBondContact O-N 2.66Å; H664-I748 HydrophobicContact CB-CG2 4.16Å; H664-I748 VanDerWaalsContact CD2-CG2 3.47Å; H664-I748 WeakPolarHBondContact CD2-CG2 3.36Å; H664-I748 PolarHBondContact CD2-O 3.21Å; H664-I748 PolarHBondContact CE1-O 2.77Å; H664-I748 PolarHBondContact ND1-O 3.44Å; H664-I748 VanDerWaalsContact ND1-O 3.13Å; H664-I748 VanDerWaalsContact NE2-CA 3.26Å; H664-I748 WeakPolarHBondContact NE2-CA 3.05Å; H664-I748 PolarHBondContact NE2-O 3.43Å
665R70.4Confident72.8Confident13 Ų1355.1 Ų55.15%0.04929%0.286CS..Hα-helixtrans-62.9-40.4176.7-70.1-124.9178.6-179.7-17.9113.1L534 S537 V538 D541 S661 F662 L663 D667 L668 Q669L534-R665 HydrophobicContact CD1-CB 4.15Å; S537-R665 PolarHBondContact O-NH1 3.17Å; S537-R665 PolarHBondContact OG-NH1 2.97Å; V538-R665 HydrophobicContact CG2-CB 3.75Å; V538-R665 HydrophobicContact CG2-CG 3.73Å; D541-R665 IonicContact OD2-CZ 3.17Å; D541-R665 IonicContact OD2-NH1 2.69Å; D541-R665 PolarHBondContact OD2-NH1 3.32Å; D541-R665 IonicContact OD2-NH2 2.63Å; D541-R665 PolarHBondContact OD2-NH2 3.14Å; S661-R665 VanDerWaalsContact O-CG 3.22Å; S661-R665 WeakPolarHBondContact O-CG 3.37Å; S661-R665 PolarHBondContact O-N 2.93Å; F662-R665 PolarHBondContact O-N 3.12Å; F662-R665 VanDerWaalsContact O-N 3.17Å; L663-R665 PolarHBondContact O-N 3.41Å; R665-D667 VanDerWaalsContact C-N 3.29Å; R665-L668 PolarHBondContact O-N 2.88Å; R665-Q669 PolarHBondContact O-N 3.28Å; R665-Q669 VanDerWaalsContact O-N 3.08Å
666R76.2Confident70.9Confident129 Ų12956.5 Ų56.549%0.48729%0.288SS..Hα-helixtrans-63-40.5177.6-172.4-16867156.82.6110.6F662 L663 H664 Q669 P670F662-R666 PolarHBondContact O-N 2.83Å; L663-R666 WeakPolarHBondContact O-CB 3.47Å; L663-R666 PolarHBondContact O-N 3.49Å; H664-R666 VanDerWaalsContact C-N 3.32Å; H664-R666 PolarHBondContact O-N 2.89Å; R666-Q669 WeakPolarHBondContact O-CB 3.42Å; R666-Q669 PolarHBondContact O-N 2.92Å; R666-P670 VanDerWaalsContact O-CD 3.25Å; R666-P670 WeakPolarHBondContact O-CD 3.33Å
667D76Confident69.2Low84 Ų8461.6 Ų61.645%0.44932%0.315SS..Hα-helixtrans-70.8-31.4179.5-63.1-9.8000112.3L663 H664 R665 P670L663-D667 VanDerWaalsContact O-CG 3.22Å; L663-D667 PolarHBondContact O-N 3.2Å; H664-D667 PolarHBondContact O-N 2.8Å; R665-D667 VanDerWaalsContact C-N 3.29Å; D667-P670 VanDerWaalsContact O-CD 3.27Å; D667-P670 WeakPolarHBondContact O-CD 3.21Å; D667-P670 VanDerWaalsContact O-CG 3.23Å; D667-P670 WeakPolarHBondContact O-CG 3.47Å
668L67.3Low67.2Low28 Ų2864.7 Ų64.715%0.14733%0.33CS..Hα-helixtrans-77-25.6174-74.6179.8000114.5H664 R665 D671 I672 I743H664-L668 WeakPolarHBondContact NE2-CD1 3Å; H664-L668 WeakPolarHBondContact NE2-CG 3.29Å; H664-L668 PolarHBondContact O-N 2.66Å; R665-L668 PolarHBondContact O-N 2.88Å; L668-D671 PolarHBondContact O-N 3.46Å; L668-I672 HydrophobicContact CB-CD1 4.25Å; L668-I672 WeakPolarHBondContact O-CG1 3.49Å; L668-I672 PolarHBondContact O-N 3.32Å; L668-I743 HydrophobicContact CD1-CD1 3.71Å; L668-I743 HydrophobicContact CD1-CG2 4.42Å
669Q68.1Low65Low76 Ų7665.3 Ų65.336%0.35534%0.338SS..Hα-helixtrans-54.3-44.3-177.6-169.61744.200114.4L534 R665 R666 I672 S673L534-Q669 HydrophobicContact CD1-CB 4.37Å; L534-Q669 VanDerWaalsContact CD1-OE1 3.3Å; R665-Q669 PolarHBondContact O-N 3.28Å; R665-Q669 VanDerWaalsContact O-N 3.08Å; R666-Q669 WeakPolarHBondContact O-CB 3.42Å; R666-Q669 PolarHBondContact O-N 2.92Å; Q669-I672 PolarHBondContact O-N 2.92Å; Q669-S673 WeakPolarHBondContact O-CB 3.37Å; Q669-S673 PolarHBondContact O-N 2.64Å; Q669-S673 PolarHBondContact O-OG 3.1Å
670P68.3Low62.9Low68 Ų6866.5 Ų66.544%0.44234%0.344SS..Hα-helixtrans-60.6-43.9175.322.4-33.9000112.2R666 D667 I672 S673 A674R666-P670 VanDerWaalsContact O-CD 3.25Å; R666-P670 WeakPolarHBondContact O-CD 3.33Å; D667-P670 VanDerWaalsContact O-CD 3.27Å; D667-P670 WeakPolarHBondContact O-CD 3.21Å; D667-P670 VanDerWaalsContact O-CG 3.23Å; D667-P670 WeakPolarHBondContact O-CG 3.47Å; P670-I672 PolarHBondContact O-N 3.07Å; P670-S673 WeakPolarHBondContact CA-OG 3.22Å; P670-S673 PolarHBondContact O-N 2.96Å; P670-S673 VanDerWaalsContact O-N 3.16Å; P670-S673 PolarHBondContact O-OG 3.03Å; P670-A674 WeakPolarHBondContact O-CB 3.37Å; P670-A674 PolarHBondContact O-N 3.18Å
671D63.4Low60.8Low89 Ų8972.8 Ų72.848%0.47637%0.374SS..Hα-helixtrans-62.7-43.9179.9-65.9-17.2000111.5L668 S673 A674 F675L668-D671 PolarHBondContact O-N 3.46Å; D671-S673 VanDerWaalsContact C-N 3.32Å; D671-S673 PolarHBondContact O-N 3.25Å; D671-A674 PolarHBondContact O-N 2.85Å; D671-F675 WeakPolarHBondContact O-CD2 3.46Å; D671-F675 PolarHBondContact O-N 3.08Å
672I59.7Low59Low50 Ų5075.3 Ų75.326%0.25639%0.389SS..Hα-helixtrans-61.9-42.7175.7-65.2167.5000110.4L668 Q669 P670 F675 Q676 I743L668-I672 HydrophobicContact CB-CD1 4.25Å; L668-I672 WeakPolarHBondContact O-CG1 3.49Å; L668-I672 PolarHBondContact O-N 3.32Å; Q669-I672 PolarHBondContact O-N 2.92Å; P670-I672 PolarHBondContact O-N 3.07Å; I672-F675 PolarHBondContact O-N 2.81Å; I672-Q676 WeakPolarHBondContact O-CB 3.43Å; I672-Q676 VanDerWaalsContact O-CG 3.31Å; I672-Q676 WeakPolarHBondContact O-CG 3.17Å; I672-Q676 PolarHBondContact O-N 3.42Å; I672-I743 HydrophobicContact CD1-CD1 4.44Å
673S59.2Low56.7Low50 Ų5075.4 Ų75.435%0.3539%0.391SS..Hα-helixtrans-67.8-35.1178.574.30000112.6Q669 P670 D671 Q676 N677Q669-S673 WeakPolarHBondContact O-CB 3.37Å; Q669-S673 PolarHBondContact O-N 2.64Å; Q669-S673 PolarHBondContact O-OG 3.1Å; P670-S673 WeakPolarHBondContact CA-OG 3.22Å; P670-S673 PolarHBondContact O-N 2.96Å; P670-S673 VanDerWaalsContact O-N 3.16Å; P670-S673 PolarHBondContact O-OG 3.03Å; D671-S673 VanDerWaalsContact C-N 3.32Å; D671-S673 PolarHBondContact O-N 3.25Å; S673-Q676 PolarHBondContact O-N 3.37Å; S673-N677 WeakPolarHBondContact O-CB 3.38Å; S673-N677 PolarHBondContact O-N 3.49Å; S673-N677 VanDerWaalsContact O-N 3.08Å; S673-N677 PolarHBondContact O-ND2 3.24Å; S673-N677 VanDerWaalsContact O-ND2 3.13Å
674A58Low54.4Low50 Ų5081.8 Ų81.841%0.41341%0.411SS..Hα-helixtrans-66.4-45.2174.500000111.1P670 D671 Q676 N677 Q678P670-A674 WeakPolarHBondContact O-CB 3.37Å; P670-A674 PolarHBondContact O-N 3.18Å; D671-A674 PolarHBondContact O-N 2.85Å; A674-Q676 VanDerWaalsContact C-N 3.33Å; A674-Q676 PolarHBondContact O-N 2.89Å; A674-N677 PolarHBondContact O-N 3.37Å; A674-N677 VanDerWaalsContact O-N 3.16Å; A674-Q678 PolarHBondContact O-N 2.8Å; A674-Q678 VanDerWaalsContact O-N 3.15Å
675F50.6Low52.5Low131 Ų13184.8 Ų84.858%0.57543%0.428SS*.Hα-helixtrans-60.7-38.6174.1-98.1-82.3000112.8D671 I672 N677D671-F675 WeakPolarHBondContact O-CD2 3.46Å; D671-F675 PolarHBondContact O-N 3.08Å; I672-F675 PolarHBondContact O-N 2.81Å; F675-N677 VanDerWaalsContact C-N 3.3Å; F675-N677 PolarHBondContact O-N 2.94Å
676Q49.1Very low50.8Low90 Ų9087.5 Ų87.542%0.42145%0.446SS..Hα-helixtrans-72.5-22.7177.1-74.7178.3-11.500113.6I672 S673 A674 R735I672-Q676 WeakPolarHBondContact O-CB 3.43Å; I672-Q676 VanDerWaalsContact O-CG 3.31Å; I672-Q676 WeakPolarHBondContact O-CG 3.17Å; I672-Q676 PolarHBondContact O-N 3.42Å; S673-Q676 PolarHBondContact O-N 3.37Å; A674-Q676 VanDerWaalsContact C-N 3.33Å; A674-Q676 PolarHBondContact O-N 2.89Å; Q676-R735 PolarHBondContact O-NH2 2.91Å
677N47.1Very low48.8Very low109 Ų10985.4 Ų85.458%0.58345%0.448SS*.Hα-helixtrans-90.8-17.1-179.1-72.8-22.8000113.3S673 A674 F675 R735S673-N677 WeakPolarHBondContact O-CB 3.38Å; S673-N677 PolarHBondContact O-N 3.49Å; S673-N677 VanDerWaalsContact O-N 3.08Å; S673-N677 PolarHBondContact O-ND2 3.24Å; S673-N677 VanDerWaalsContact O-ND2 3.13Å; A674-N677 PolarHBondContact O-N 3.37Å; A674-N677 VanDerWaalsContact O-N 3.16Å; F675-N677 VanDerWaalsContact C-N 3.3Å; F675-N677 PolarHBondContact O-N 2.94Å; N677-R735 PolarHBondContact O-NH2 3.43Å
678Q39.5Very low46.6Very low72 Ų7284 Ų8434%0.33644%0.442SS..SBendtrans-64.7127.7175.2-77.9-179.9-200111.4A674A674-Q678 PolarHBondContact O-N 2.8Å; A674-Q678 VanDerWaalsContact O-N 3.15Å
679P37.8Very low44.8Very low77 Ų7786.7 Ų86.750%0.546%0.457SS..  trans-61.7139.1170.524.1-29000109.4E681 V682P679-E681 PolarHBondContact O-N 3.18Å; P679-V682 HydrophobicContact CG-CG2 4Å; P679-V682 PolarHBondContact O-N 3.46Å
680L41.1Very low43.2Very low98 Ų9890.3 Ų90.351%0.51347%0.472SS..Hα-helixtrans-55.3-21.6-175.7-76.6123.8000114.4V682 M683 R684 F731L680-V682 VanDerWaalsContact C-N 3.27Å; L680-V682 PolarHBondContact O-N 2.88Å; L680-M683 PolarHBondContact O-N 2.93Å; L680-R684 PolarHBondContact O-N 3.29Å; L680-F731 HydrophobicContact CD1-CD1 3.54Å; L680-F731 HydrophobicContact CD1-CE1 3.15Å; L680-F731 HydrophobicContact CD1-CZ 3.92Å; L680-F731 HydrophobicContact CD2-CE1 3.82Å; L680-F731 HydrophobicContact CD2-CZ 3.81Å; L680-F731 HydrophobicContact CG-CE1 4.08Å
681E37.8Very low41.5Very low152 Ų15293.2 Ų93.271%0.7148%0.479SS*.Hα-helixtrans-63.2-33.8174.1-68.8174.6175.500111.8P679 N685P679-E681 PolarHBondContact O-N 3.18Å; E681-N685 VanDerWaalsContact O-CB 3.27Å; E681-N685 WeakPolarHBondContact O-CB 3.31Å; E681-N685 PolarHBondContact O-N 2.9Å; E681-N685 PolarHBondContact O-ND2 3.44Å; E681-N685 PolarHBondContact O-OD1 2.87Å
682V39.1Very low40Very low61 Ų6194.7 Ų94.737%0.3748%0.483SS..Hα-helixtrans-76.6-35.4175.2179.50000111.1P679 L680 N685 T686P679-V682 HydrophobicContact CG-CG2 4Å; P679-V682 PolarHBondContact O-N 3.46Å; L680-V682 VanDerWaalsContact C-N 3.27Å; L680-V682 PolarHBondContact O-N 2.88Å; V682-N685 CarbonylContact O-C 3.58Å; V682-N685 PolarHBondContact O-N 2.76Å; V682-T686 WeakPolarHBondContact O-CB 3.28Å; V682-T686 PolarHBondContact O-N 2.92Å; V682-T686 PolarHBondContact O-OG1 3.24Å
683M32.5Very low38.6Very low77 Ų7797 Ų9738%0.37950%0.504SS..Hα-helixtrans-66.7-41.6175.3-92.9-166.7-88.800112L680 N685 T686 T687L680-M683 PolarHBondContact O-N 2.93Å; M683-N685 VanDerWaalsContact C-N 3.34Å; M683-T686 PolarHBondContact O-N 2.68Å; M683-T687 PolarHBondContact O-N 2.94Å; M683-T687 PolarHBondContact O-OG1 3.42Å
684R32Very low37.3Very low190 Ų190101 Ų10172%0.71752%0.521SS*.Hα-helixtrans-63.2-42.8173.9-163.5-179.4-120.7143.3-3.2110.8L680 T686 T687 T688L680-R684 PolarHBondContact O-N 3.29Å; R684-T686 VanDerWaalsContact C-N 3.33Å; R684-T686 PolarHBondContact O-N 3.1Å; R684-T687 WeakPolarHBondContact CA-OG1 3.14Å; R684-T687 PolarHBondContact O-N 2.88Å; R684-T687 PolarHBondContact O-OG1 2.89Å; R684-T688 WeakPolarHBondContact O-CG2 3.49Å; R684-T688 PolarHBondContact O-N 3.43Å; R684-T688 PolarHBondContact O-OG1 2.86Å
685N29.9Very low36Very low87 Ų87101.1 Ų101.147%0.46553%0.527SS..Hα-helixtrans-70.7-24.3176.4-70.6-0.4000113.4E681 V682 M683 T688 N689E681-N685 VanDerWaalsContact O-CB 3.27Å; E681-N685 WeakPolarHBondContact O-CB 3.31Å; E681-N685 PolarHBondContact O-N 2.9Å; E681-N685 PolarHBondContact O-ND2 3.44Å; E681-N685 PolarHBondContact O-OD1 2.87Å; V682-N685 CarbonylContact O-C 3.58Å; V682-N685 PolarHBondContact O-N 2.76Å; M683-N685 VanDerWaalsContact C-N 3.34Å; N685-T688 VanDerWaalsContact CA-OG1 3.22Å; N685-T688 WeakPolarHBondContact CA-OG1 3.33Å; N685-T688 PolarHBondContact O-OG1 3.3Å; N685-N689 WeakPolarHBondContact O-CA 3.46Å; N685-N689 WeakPolarHBondContact O-CB 3.22Å; N685-N689 PolarHBondContact O-N 2.95Å; N685-N689 PolarHBondContact O-ND2 3.36Å; N685-N689 PolarHBondContact O-OD1 3.42Å
686T34.7Very low34.9Very low70 Ų70103.4 Ų103.443%0.42954%0.54SS..Hα-helixtrans-80.2-35.3174.9-49.20000110.1V682 M683 R684 F690V682-T686 WeakPolarHBondContact O-CB 3.28Å; V682-T686 PolarHBondContact O-N 2.92Å; V682-T686 PolarHBondContact O-OG1 3.24Å; M683-T686 PolarHBondContact O-N 2.68Å; R684-T686 VanDerWaalsContact C-N 3.33Å; R684-T686 PolarHBondContact O-N 3.1Å; T686-F690 WeakPolarHBondContact O-CB 3.38Å; T686-F690 PolarHBondContact O-N 2.92Å
687T33.8Very low33.9Very low85 Ų85104.3 Ų104.352%0.52156%0.556SS.*Hα-helixtrans-61.3-43.7166.126.40000111.7M683 R684 Q691M683-T687 PolarHBondContact O-N 2.94Å; M683-T687 PolarHBondContact O-OG1 3.42Å; R684-T687 WeakPolarHBondContact CA-OG1 3.14Å; R684-T687 PolarHBondContact O-N 2.88Å; R684-T687 PolarHBondContact O-OG1 2.89Å; T687-Q691 VanDerWaalsContact C-OE1 3.3Å; T687-Q691 WeakPolarHBondContact O-CB 3.49Å; T687-Q691 WeakPolarHBondContact O-CG 3.46Å; T687-Q691 PolarHBondContact O-N 3.45Å; T687-Q691 PolarHBondContact O-OE1 2.9Å
688T30.6Very low33.1Very low54 Ų54104 Ų10433%0.33156%0.562SS.*Hα-helixtrans-76.2-32.2178.857.60000113.7R684 N685 Q691 E692R684-T688 WeakPolarHBondContact O-CG2 3.49Å; R684-T688 PolarHBondContact O-N 3.43Å; R684-T688 PolarHBondContact O-OG1 2.86Å; N685-T688 VanDerWaalsContact CA-OG1 3.22Å; N685-T688 WeakPolarHBondContact CA-OG1 3.33Å; N685-T688 PolarHBondContact O-OG1 3.3Å; T688-Q691 CarbonylContact O-C 3.5Å; T688-Q691 WeakPolarHBondContact O-CA 3.32Å; T688-Q691 VanDerWaalsContact O-CB 3.25Å; T688-Q691 WeakPolarHBondContact O-CB 3.46Å; T688-Q691 PolarHBondContact O-N 3.31Å; T688-Q691 VanDerWaalsContact O-N 3.14Å; T688-E692 PolarHBondContact O-N 3.49Å
689N29.2Very low32.7Very low85 Ų85108.3 Ų108.346%0.45559%0.587SS.*Hα-helixtrans-82.9-25.8178.4-66.3-0.2000112.3N685 E692 S693N685-N689 WeakPolarHBondContact O-CA 3.46Å; N685-N689 WeakPolarHBondContact O-CB 3.22Å; N685-N689 PolarHBondContact O-N 2.95Å; N685-N689 PolarHBondContact O-ND2 3.36Å; N685-N689 PolarHBondContact O-OD1 3.42Å; N689-E692 PolarHBondContact O-N 3.41Å; N689-S693 WeakPolarHBondContact O-CB 3.42Å; N689-S693 PolarHBondContact O-N 2.96Å
690F33.2Very low32.2Very low151 Ų151114 Ų11466%0.66261%0.607SS**Hα-helixtrans-72.8-21162.8-149-89.4000110.6T686 L694T686-F690 WeakPolarHBondContact O-CB 3.38Å; T686-F690 PolarHBondContact O-N 2.92Å; F690-L694 HydrophobicContact CD1-CD1 3.98Å; F690-L694 HydrophobicContact CE1-CD1 3.96Å; F690-L694 WeakPolarHBondContact O-CD1 3.39Å
691Q34Very low31.6Very low129 Ų129113.8 Ų113.860%0.60362%0.62SS**Hα-helixtrans-80.5-28.6167.7-74.4167.9-80.500113T687 T688T687-Q691 VanDerWaalsContact C-OE1 3.3Å; T687-Q691 WeakPolarHBondContact O-CB 3.49Å; T687-Q691 WeakPolarHBondContact O-CG 3.46Å; T687-Q691 PolarHBondContact O-N 3.45Å; T687-Q691 PolarHBondContact O-OE1 2.9Å; T688-Q691 CarbonylContact O-C 3.5Å; T688-Q691 WeakPolarHBondContact O-CA 3.32Å; T688-Q691 VanDerWaalsContact O-CB 3.25Å; T688-Q691 WeakPolarHBondContact O-CB 3.46Å; T688-Q691 PolarHBondContact O-N 3.31Å; T688-Q691 VanDerWaalsContact O-N 3.14Å
692E30.8Very low31.2Very low120 Ų120112.3 Ų112.356%0.56163%0.625SS**Hα-helixtrans-92.2-33.8179.8-79.6179.5161.500114.1T688 N689 L694 G695T688-E692 PolarHBondContact O-N 3.49Å; N689-E692 PolarHBondContact O-N 3.41Å; E692-L694 PolarHBondContact O-N 3.04Å; E692-G695 PolarHBondContact O-N 3.04Å; E692-G695 VanDerWaalsContact O-N 3.12Å
693S30Very low30.7Very low99 Ų99114.3 Ų114.369%0.69264%0.641SS**THydrogen-bonded Turntrans-74.2-6.5179.7990000113.9N689N689-S693 WeakPolarHBondContact O-CB 3.42Å; N689-S693 PolarHBondContact O-N 2.96Å
694L33Very low30.5Very low133 Ų133115.3 Ų115.370%0.69666%0.656SS**THydrogen-bonded Turntrans-103.1-2.9173.9-85.5155.1000112.4F690 E692F690-L694 HydrophobicContact CD1-CD1 3.98Å; F690-L694 HydrophobicContact CE1-CD1 3.96Å; F690-L694 WeakPolarHBondContact O-CD1 3.39Å; E692-L694 PolarHBondContact O-N 3.04Å
695G30.8Very low30.4Very low54 Ų54115.2 Ų115.256%0.55766%0.664SS**THydrogen-bonded Turntrans-104.7-7.5-175.800000116E692E692-G695 PolarHBondContact O-N 3.04Å; E692-G695 VanDerWaalsContact O-N 3.12Å
696H27.7Very low30.2Very low179 Ų179118.7 Ų118.783%0.82968%0.677SS**  trans-104.670.1-179.3-79.6-59.8000112.8
697S28.1Very low30.1Very low109 Ų109124.6 Ų124.676%0.76270%0.699SS**SBendtrans-149.260157.3770000111.4
698S29.8Very low29.7Very low103 Ų103127 Ų12772%0.7271%0.709SS**SBendtrans-179.8122.7151.130.50000111.7
699N32Very low29.7Very low161 Ų161131.4 Ų131.486%0.86174%0.735SS**  trans70100.1152.2-57.8-12.2000120.2
700Q26.6Very low29.5Very low197 Ų197136.1 Ų136.192%0.92175%0.754SS**  trans-58.2135.1148.9-72.1167.4-35.400111
701A28.7Very low29.2Very low93 Ų93133.6 Ų133.677%0.76976%0.755SS**  172.2129.1126.700000113.5
702C27.9Very low29Very low121 Ų121134.7 Ų134.782%0.81877%0.765SS**  trans85.4109.9146.8-69.20000123.1
703S30.3Very low29Very low103 Ų103137 Ų13772%0.7278%0.776SS**  80.699.9121.368.40000121.8
704S26.8Very low28.9Very low99 Ų99139.7 Ų139.769%0.69278%0.783SS**  35.9122.3121.861.50000120.9
705H31Very low28.9Very low188 Ų188142.2 Ų142.287%0.8779%0.791SS**  -165.2127.5117-104-68.5000112.2
706H26.4Very low28.9Very low160 Ų160142 Ų14274%0.74178%0.784SS**  trans-71.6146.5167.5-94.3-83.4000111.4
707H30.7Very low28.9Very low193 Ų193137 Ų13789%0.89477%0.769SS**  trans-155123137.4-106.4-66.2000111.4
708N25.4Very low29Very low137 Ų137140 Ų14073%0.73377%0.769SS**  trans-78.3140.8169.6-70.9-17.3000110.2
709V30.6Very low28.9Very low146 Ų146144.2 Ų144.289%0.88577%0.77SS**  trans-141.1127.2148.2178.90000107.9
710E26.4Very low28.8Very low183 Ų183143.6 Ų143.686%0.85576%0.76SS**  trans-116127.5-175.4-180174.8-145.900107
711S26.9Very low28.8Very low98 Ų98137.1 Ų137.169%0.68574%0.736SS**  trans172.8140.9148.229.50000112.4
712D28.4Very low28.9Very low152 Ų152136.7 Ų136.781%0.81372%0.724SS**  trans78.794.5158.1-55.4-17.7000119.3
713E31Very low29Very low169 Ų169137.9 Ų137.979%0.7972%0.718SS**  trans-173.963.8145.1-106.8178.7-152.600113.5
714D27.9Very low28.9Very low156 Ų156137.9 Ų137.983%0.83471%0.709SS**SBendtrans-89.14.8-177.9-102.8-25.9000116.5
715E32.7Very low28.9Very low185 Ų185138.5 Ų138.586%0.86470%0.704SS**SBendtrans-106.5-12.6175.4-88.5-171.1145.200115
716A31.5Very low29Very low50 Ų50134.3 Ų134.341%0.41369%0.691SS.*SBendtrans-82.5-18.4-179.600000113.8K718 K720A716-K718 PolarHBondContact O-N 3.37Å; A716-K720 PolarHBondContact O-N 3.05Å
717S28.8Very low29.2Very low74 Ų74129.1 Ų129.152%0.51767%0.673SS.*Hα-helixtrans-74.3-25.8-171.8770000114.1S721S717-S721 PolarHBondContact O-N 3.44Å; S717-S721 PolarHBondContact O-OG 3.42Å
718K29.1Very low29Very low172 Ų172122.6 Ų122.675%0.74865%0.649SS**Hα-helixtrans-80.7-28.3-178-144.9171.8-172.9174.60113.5A716 S721 T722A716-K718 PolarHBondContact O-N 3.37Å; K718-S721 PolarHBondContact O-OG 3.5Å; K718-T722 PolarHBondContact O-OG1 3.42Å
719Y27.9Very low29.1Very low192 Ų192121.6 Ų121.675%0.75364%0.643SS**Hα-helixtrans-81-32.2171.6-106.3-88.7000112.2T722 H723Y719-T722 PolarHBondContact O-OG1 3.47Å; Y719-H723 PolarHBondContact O-N 3.4Å
720K29.7Very low29.2Very low148 Ų148118.3 Ų118.364%0.64363%0.626SS**Hα-helixtrans-68.4-37.4177.6-130.6169.7-174.7172.60112.5A716 H723 L724A716-K720 PolarHBondContact O-N 3.05Å; K720-H723 PolarHBondContact O-N 2.91Å; K720-L724 VanDerWaalsContact O-CB 3.26Å; K720-L724 WeakPolarHBondContact O-CB 3.44Å; K720-L724 WeakPolarHBondContact O-CD1 3.33Å; K720-L724 WeakPolarHBondContact O-CG 3.35Å; K720-L724 PolarHBondContact O-N 2.82Å
721S27.1Very low29.3Very low60 Ų60115 Ų11542%0.4261%0.609SS.*Hα-helixtrans-70.5-34.2-179.241.70000113.6S717 K718 L725S717-S721 PolarHBondContact O-N 3.44Å; S717-S721 PolarHBondContact O-OG 3.42Å; K718-S721 PolarHBondContact O-OG 3.5Å; S721-L725 PolarHBondContact O-N 3.37Å; S721-L725 VanDerWaalsContact O-N 3.09Å
722T29.5Very low29.3Very low85 Ų85115.5 Ų115.552%0.52160%0.604SS.*Hα-helixtrans-75.4-37.8173.522.20000112.4K718 Y719 L725 V726K718-T722 PolarHBondContact O-OG1 3.42Å; Y719-T722 PolarHBondContact O-OG1 3.47Å; T722-L725 PolarHBondContact O-N 3.28Å; T722-V726 WeakPolarHBondContact O-CG2 3.4Å; T722-V726 PolarHBondContact O-N 3.4Å; T722-V726 VanDerWaalsContact O-N 3.12Å
723H30.7Very low29.4Very low146 Ų146114.1 Ų114.168%0.67659%0.587SS**Hα-helixtrans-68.5-34.9173.8-128.4-88.7000112.2Y719 K720 S727Y719-H723 PolarHBondContact O-N 3.4Å; K720-H723 PolarHBondContact O-N 2.91Å; H723-S727 VanDerWaalsContact O-CB 3.27Å; H723-S727 WeakPolarHBondContact O-CB 3.48Å; H723-S727 PolarHBondContact O-N 3.48Å; H723-S727 PolarHBondContact O-OG 2.89Å
724L27.6Very low29.5Very low102 Ų102113.3 Ų113.353%0.53458%0.577SS.*Hα-helixtrans-63.4-52.1172.5-87.3157.5000110.7K720 V726 S727 S728K720-L724 VanDerWaalsContact O-CB 3.26Å; K720-L724 WeakPolarHBondContact O-CB 3.44Å; K720-L724 WeakPolarHBondContact O-CD1 3.33Å; K720-L724 WeakPolarHBondContact O-CG 3.35Å; K720-L724 PolarHBondContact O-N 2.82Å; L724-V726 VanDerWaalsContact C-N 3.32Å; L724-V726 PolarHBondContact O-N 2.65Å; L724-S727 WeakPolarHBondContact CA-OG 3.5Å; L724-S727 CarbonylContact O-C 3.52Å; L724-S727 PolarHBondContact O-N 3.22Å; L724-S727 VanDerWaalsContact O-N 3.08Å; L724-S727 PolarHBondContact O-OG 2.83Å; L724-S728 PolarHBondContact O-N 2.73Å; L724-S728 PolarHBondContact O-OG 2.94Å
725L27.9Very low29.6Very low113 Ų113112.8 Ų112.859%0.59256%0.563SS**Hα-helixtrans-59.8-37.7179.1-82.5167.1000113.7S721 T722 L729S721-L725 PolarHBondContact O-N 3.37Å; S721-L725 VanDerWaalsContact O-N 3.09Å; T722-L725 PolarHBondContact O-N 3.28Å; L725-L729 WeakPolarHBondContact O-CB 3.35Å; L725-L729 WeakPolarHBondContact O-CD1 3.35Å; L725-L729 VanDerWaalsContact O-CG 3.27Å; L725-L729 WeakPolarHBondContact O-CG 3.38Å; L725-L729 PolarHBondContact O-N 3.44Å
726V32.6Very low29.7Very low99 Ų99107.8 Ų107.860%0.655%0.549SS*.Hα-helixtrans-70.6-38.4175.6174.20000111.2T722 L724 L729 S730T722-V726 WeakPolarHBondContact O-CG2 3.4Å; T722-V726 PolarHBondContact O-N 3.4Å; T722-V726 VanDerWaalsContact O-N 3.12Å; L724-V726 VanDerWaalsContact C-N 3.32Å; L724-V726 PolarHBondContact O-N 2.65Å; V726-L729 PolarHBondContact O-N 2.92Å; V726-S730 WeakPolarHBondContact O-CB 3.23Å; V726-S730 PolarHBondContact O-N 3.29Å; V726-S730 PolarHBondContact O-OG 3.03Å
727S30.4Very low29.7Very low52 Ų52108.8 Ų108.836%0.36455%0.552SS.*Hα-helixtrans-66.4-40.6174.275.60000112.1H723 L724 L729 S730 F731H723-S727 VanDerWaalsContact O-CB 3.27Å; H723-S727 WeakPolarHBondContact O-CB 3.48Å; H723-S727 PolarHBondContact O-N 3.48Å; H723-S727 PolarHBondContact O-OG 2.89Å; L724-S727 WeakPolarHBondContact CA-OG 3.5Å; L724-S727 CarbonylContact O-C 3.52Å; L724-S727 PolarHBondContact O-N 3.22Å; L724-S727 VanDerWaalsContact O-N 3.08Å; L724-S727 PolarHBondContact O-OG 2.83Å; S727-L729 PolarHBondContact O-N 3.49Å; S727-S730 WeakPolarHBondContact CA-OG 3.22Å; S727-S730 PolarHBondContact O-N 3.49Å; S727-S730 PolarHBondContact O-OG 3.31Å; S727-F731 WeakPolarHBondContact O-CB 3.5Å; S727-F731 PolarHBondContact O-N 3.43Å
728S27.8Very low29.9Very low55 Ų55107.6 Ų107.639%0.38554%0.542SS..Hα-helixtrans-63.5-42.3175.6-45.90000111.7L724 F731 L732L724-S728 PolarHBondContact O-N 2.73Å; L724-S728 PolarHBondContact O-OG 2.94Å; S728-F731 PolarHBondContact O-N 3.49Å; S728-L732 WeakPolarHBondContact O-CB 3.45Å; S728-L732 VanDerWaalsContact O-CG 3.27Å; S728-L732 WeakPolarHBondContact O-CG 3.31Å; S728-L732 PolarHBondContact O-N 2.92Å
729L27.6Very low30.3Very low117 Ų117102.8 Ų102.861%0.61352%0.523SS*.Hα-helixtrans-70.3-35.4177.6-75.4165.9000112.4L725 V726 S727 R733L725-L729 WeakPolarHBondContact O-CB 3.35Å; L725-L729 WeakPolarHBondContact O-CD1 3.35Å; L725-L729 VanDerWaalsContact O-CG 3.27Å; L725-L729 WeakPolarHBondContact O-CG 3.38Å; L725-L729 PolarHBondContact O-N 3.44Å; V726-L729 PolarHBondContact O-N 2.92Å; S727-L729 PolarHBondContact O-N 3.49Å; L729-R733 PolarHBondContact O-N 2.91Å
730S32Very low30.7Very low76 Ų7696.9 Ų96.953%0.53150%0.502SS..Hα-helixtrans-67.9-35.3173.774.60000112.4V726 S727 R733V726-S730 WeakPolarHBondContact O-CB 3.23Å; V726-S730 PolarHBondContact O-N 3.29Å; V726-S730 PolarHBondContact O-OG 3.03Å; S727-S730 WeakPolarHBondContact CA-OG 3.22Å; S727-S730 PolarHBondContact O-N 3.49Å; S727-S730 PolarHBondContact O-OG 3.31Å; S730-R733 WeakPolarHBondContact O-CB 3.44Å; S730-R733 PolarHBondContact O-N 3.01Å
731F27.9Very low31.1Very low114 Ų11493.8 Ų93.850%0.549%0.492SS..Hα-helixtrans-74.9-37.9178.9-147.4-77.4000112.2L680 S727 S728 R733 R734L680-F731 HydrophobicContact CD1-CD1 3.54Å; L680-F731 HydrophobicContact CD1-CE1 3.15Å; L680-F731 HydrophobicContact CD1-CZ 3.92Å; L680-F731 HydrophobicContact CD2-CE1 3.82Å; L680-F731 HydrophobicContact CD2-CZ 3.81Å; L680-F731 HydrophobicContact CG-CE1 4.08Å; S727-F731 WeakPolarHBondContact O-CB 3.5Å; S727-F731 PolarHBondContact O-N 3.43Å; S728-F731 PolarHBondContact O-N 3.49Å; F731-R733 PolarHBondContact O-N 3.18Å; F731-R734 PolarHBondContact O-N 2.96Å
732L27.1Very low31.7Very low108 Ų10894.8 Ų94.857%0.56550%0.497SS*.Hα-helixtrans-65.2-23.2172.9-74.1167000112.7S728 R735S728-L732 WeakPolarHBondContact O-CB 3.45Å; S728-L732 VanDerWaalsContact O-CG 3.27Å; S728-L732 WeakPolarHBondContact O-CG 3.31Å; S728-L732 PolarHBondContact O-N 2.92Å; L732-R735 WeakPolarHBondContact O-CB 3.39Å
733R31.6Very low32.5Very low123 Ų12391.7 Ų91.746%0.46448%0.477SS..Hα-helixtrans-77.2-20.5179.3-157.4173.4-157.1149.44.4114T397 L729 S730 F731 R735T397-R733 PolarHBondContact O-NH2 2.84Å; T397-R733 VanDerWaalsContact O-NH2 3.13Å; L729-R733 PolarHBondContact O-N 2.91Å; S730-R733 WeakPolarHBondContact O-CB 3.44Å; S730-R733 PolarHBondContact O-N 3.01Å; F731-R733 PolarHBondContact O-N 3.18Å; R733-R735 PolarHBondContact O-N 3.41Å
734R33.2Very low33.4Very low152 Ų15287.8 Ų87.857%0.57446%0.464SS*.G310 helixtrans-73-7.3178-134173.1-165.4-170.2-0.2113.9F731 S736F731-R734 PolarHBondContact O-N 2.96Å; R734-S736 VanDerWaalsContact C-N 3.33Å; R734-S736 PolarHBondContact O-N 3.14Å
735R30.1Very low34.4Very low146 Ų14684.3 Ų84.355%0.55145%0.446SS*.G310 helixtrans-78.9-2.5-172-139.1172.9-170.5172.34.2115Q676 N677 L732 R733Q676-R735 PolarHBondContact O-NH2 2.91Å; N677-R735 PolarHBondContact O-NH2 3.43Å; L732-R735 WeakPolarHBondContact O-CB 3.39Å; R733-R735 PolarHBondContact O-N 3.41Å
736S33.4Very low35.3Very low80 Ų8080.1 Ų80.156%0.55942%0.424SS*.G310 helixtrans-110.95.6-175.268.80000116.5R734R734-S736 VanDerWaalsContact C-N 3.33Å; R734-S736 PolarHBondContact O-N 3.14Å
737S31.8Very low36.3Very low70 Ų7077.4 Ų77.449%0.4941%0.405SS..  trans-122.979.9170.354.20000109.5E739S737-E739 VanDerWaalsContact C-N 3.31Å; S737-E739 PolarHBondContact O-N 3.37Å
738T32.4Very low37.1Very low50 Ų5075.3 Ų75.331%0.30739%0.389SS..  trans-60.789.2170.943.50000109.8R533 M740R533-T738 PolarHBondContact NH1-OG1 3.5Å; T738-M740 PolarHBondContact O-N 2.95Å
739E37.6Very low38.2Very low71 Ų7173 Ų7333%0.33237%0.372SS..  trans-76.5102.4154.3-80.3179.1-174.500106.6K467 S737 I741K467-E739 WeakPolarHBondContact CD-OE1 3.3Å; K467-E739 WeakPolarHBondContact CE-OE1 3.37Å; K467-E739 WeakPolarHBondContact CG-OE1 3.26Å; K467-E739 IonicContact NZ-OE1 3.71Å; K467-E739 PolarHBondContact NZ-OE1 2.98Å; S737-E739 VanDerWaalsContact C-N 3.31Å; S737-E739 PolarHBondContact O-N 3.37Å; E739-I741 PolarHBondContact O-N 3.38Å
740M37.6Very low39.5Very low67 Ų6772.6 Ų72.633%0.3336%0.362SS..  trans-65.7128.9165.5-86.7-178.8-92.800107.9R533 T738R533-M740 HydrophobicContact CB-CE 4.02Å; R533-M740 WeakPolarHBondContact O-CE 3.28Å; T738-M740 PolarHBondContact O-N 2.95Å
741I38.2Very low40.4Very low84 Ų8474.1 Ų74.143%0.43137%0.372SS..  trans-52.4133.6177.3-61.5161000108.4E739 I743E739-I741 PolarHBondContact O-N 3.38Å; I741-I743 WeakPolarHBondContact O-CG1 3.09Å; I741-I743 PolarHBondContact O-N 3.28Å
742P38.5Very low41.7Very low80 Ų8075 Ų7552%0.51938%0.376SS..  trans-65.2100.6170.126.3-31.2000108.3T744P742-T744 PolarHBondContact O-N 3.43Å
743I46.8Very low43.4Very low20 Ų2071.1 Ų71.110%0.10336%0.355CS..  trans-73.2111.8-178-55.3177.4000108L668 I672 I741 E747 I748L668-I743 HydrophobicContact CD1-CD1 3.71Å; L668-I743 HydrophobicContact CD1-CG2 4.42Å; I672-I743 HydrophobicContact CD1-CD1 4.44Å; I741-I743 WeakPolarHBondContact O-CG1 3.09Å; I741-I743 PolarHBondContact O-N 3.28Å; I743-E747 WeakPolarHBondContact CA-OE2 3.27Å; I743-E747 HydrophobicContact CG2-CB 3.5Å; I743-I748 HydrophobicContact CG2-CG1 3.78Å
744T50.1Low45.3Very low65 Ų6573.5 Ų73.540%0.39937%0.369SS..  trans-70.5153.7173.858.60000110.1P742 D746 E747 I748P742-T744 PolarHBondContact O-N 3.43Å; T744-D746 PolarHBondContact O-N 3.25Å; T744-E747 WeakPolarHBondContact O-CB 3.12Å; T744-E747 PolarHBondContact O-N 2.99Å; T744-I748 PolarHBondContact O-N 3.46Å
745L47.6Very low47.4Very low29 Ų2970.9 Ų70.915%0.15236%0.363CS..THydrogen-bonded Turntrans-53.5-24.9178.9-159.999000112.6L293 V297 F657 I748 F749L293-L745 HydrophobicContact CD1-CD2 4.47Å; V297-L745 HydrophobicContact CG2-CD2 4.32Å; F657-L745 HydrophobicContact CZ-CD1 4.31Å; L745-I748 HydrophobicContact CD1-CD1 4.34Å; L745-I748 WeakPolarHBondContact O-CB 2.96Å; L745-I748 PolarHBondContact O-N 3.46Å; L745-F749 HydrophobicContact CG-CE2 4.34Å; L745-F749 VanDerWaalsContact O-CD2 3.3Å; L745-F749 WeakPolarHBondContact O-CD2 3.24Å
746D47.2Very low49.7Very low24 Ų2465.5 Ų65.513%0.12835%0.347CS..THydrogen-bonded Turntrans-79.9-27.6-179.7-52.8-58.7000112.1Y30 R300 T744 I748Y30-D746 VanDerWaalsContact CE2-OD2 3.26Å; Y30-D746 WeakPolarHBondContact CE2-OD2 2.97Å; Y30-D746 VanDerWaalsContact CZ-OD2 3.28Å; Y30-D746 WeakPolarHBondContact OH-CB 3.48Å; Y30-D746 PolarHBondContact OH-OD2 2.82Å; R300-D746 VanDerWaalsContact CD-OD1 3.3Å; R300-D746 WeakPolarHBondContact CD-OD1 3.48Å; R300-D746 IonicContact CZ-OD1 2.96Å; R300-D746 IonicContact NH1-OD1 3.76Å; R300-D746 PolarHBondContact NH1-OD1 2.76Å; R300-D746 IonicContact NH1-OD2 2.66Å; T744-D746 PolarHBondContact O-N 3.25Å; D746-I748 VanDerWaalsContact C-N 3.34Å
747E52.8Low51.9Low43 Ų4365 Ų6520%0.20134%0.343CS..THydrogen-bonded Turntrans-69.2-33.2165.5-78.6-177.517100112.2S375 I743 T744 F749 R750S375-E747 WeakPolarHBondContact CB-OE1 3.1Å; S375-E747 PolarHBondContact OG-OE1 2.92Å; S375-E747 PolarHBondContact OG-OE2 2.88Å; I743-E747 WeakPolarHBondContact CA-OE2 3.27Å; I743-E747 HydrophobicContact CG2-CB 3.5Å; T744-E747 WeakPolarHBondContact O-CB 3.12Å; T744-E747 PolarHBondContact O-N 2.99Å; E747-F749 PolarHBondContact O-N 2.85Å; E747-R750 PolarHBondContact O-N 3.38Å; E747-R750 VanDerWaalsContact O-N 3.14Å
748I48.6Very low54.2Low7 Ų766.6 Ų66.64%0.03634%0.343CS..THydrogen-bonded Turntrans-58.3-24.1-179.6-64.2-179.3000112.4H664 I743 T744 L745 D746H664-I748 HydrophobicContact CB-CG2 4.16Å; H664-I748 VanDerWaalsContact CD2-CG2 3.47Å; H664-I748 WeakPolarHBondContact CD2-CG2 3.36Å; H664-I748 PolarHBondContact CD2-O 3.21Å; H664-I748 PolarHBondContact CE1-O 2.77Å; H664-I748 PolarHBondContact ND1-O 3.44Å; H664-I748 VanDerWaalsContact ND1-O 3.13Å; H664-I748 VanDerWaalsContact NE2-CA 3.26Å; H664-I748 WeakPolarHBondContact NE2-CA 3.05Å; H664-I748 PolarHBondContact NE2-O 3.43Å; I743-I748 HydrophobicContact CG2-CG1 3.78Å; T744-I748 PolarHBondContact O-N 3.46Å; L745-I748 HydrophobicContact CD1-CD1 4.34Å; L745-I748 WeakPolarHBondContact O-CB 2.96Å; L745-I748 PolarHBondContact O-N 3.46Å; D746-I748 VanDerWaalsContact C-N 3.34Å
749F50.2Low56.5Low7 Ų771.8 Ų71.83%0.03136%0.364CS..THydrogen-bonded Turntrans-112-6.3-179-68.5-81.7000113.5L293 M294 V297 L745 E747 C751 K752 L753L293-F749 HydrophobicContact CB-CZ 4.35Å; L293-F749 HydrophobicContact CD1-CE2 4.31Å; L293-F749 HydrophobicContact CD1-CZ 4.32Å; L293-F749 HydrophobicContact CD2-CE1 4.24Å; L293-F749 HydrophobicContact CD2-CE2 3.95Å; L293-F749 HydrophobicContact CD2-CZ 3.31Å; L293-F749 HydrophobicContact CG-CE1 4.08Å; L293-F749 HydrophobicContact CG-CE2 3.79Å; L293-F749 HydrophobicContact CG-CZ 3.34Å; M294-F749 HydrophobicContact CE-CD1 4.14Å; M294-F749 HydrophobicContact SD-CD1 4.04Å; V297-F749 HydrophobicContact CB-CB 3.94Å; V297-F749 HydrophobicContact CB-CD2 3.9Å; V297-F749 HydrophobicContact CB-CG 3.87Å; V297-F749 HydrophobicContact CG1-CB 3.55Å; V297-F749 HydrophobicContact CG1-CD2 3.95Å; V297-F749 HydrophobicContact CG1-CG 3.95Å; V297-F749 HydrophobicContact CG2-CB 4.22Å; V297-F749 HydrophobicContact CG2-CD1 4.38Å; V297-F749 HydrophobicContact CG2-CD2 3.19Å; V297-F749 HydrophobicContact CG2-CE2 3.67Å; V297-F749 HydrophobicContact CG2-CG 3.63Å; V297-F749 HydrophobicContact CG2-CZ 4.48Å; L745-F749 HydrophobicContact CG-CE2 4.34Å; L745-F749 VanDerWaalsContact O-CD2 3.3Å; L745-F749 WeakPolarHBondContact O-CD2 3.24Å; E747-F749 PolarHBondContact O-N 2.85Å; F749-C751 VanDerWaalsContact C-N 3.29Å; F749-C751 PolarHBondContact O-N 3.22Å; F749-C751 VanDerWaalsContact O-N 3.08Å; F749-K752 PolarHBondContact O-N 3.05Å; F749-L753 HydrophobicContact CB-CD1 3.72Å; F749-L753 HydrophobicContact CB-CD2 4.23Å; F749-L753 HydrophobicContact CB-CG 3.87Å; F749-L753 WeakPolarHBondContact O-CG 3.05Å; F749-L753 PolarHBondContact O-N 2.95Å; F749-L753 VanDerWaalsContact O-N 3.14Å
750R55.2Low58.5Low108 Ų10870.3 Ų70.341%0.40836%0.362SS..G310 helixtrans-55-39.8-164.4-150.3175.5-171.3-174.1-2114D373 E747 K752 L753D373-R750 PolarHBondContact O-NH1 2.98Å; D373-R750 IonicContact OD2-NH2 2.71Å; E747-R750 PolarHBondContact O-N 3.38Å; E747-R750 VanDerWaalsContact O-N 3.14Å; R750-K752 VanDerWaalsContact C-N 3.31Å; R750-K752 PolarHBondContact O-N 3.22Å; R750-L753 PolarHBondContact O-N 3.27Å
751C50Low60.5Low109 Ų10967.5 Ų67.574%0.73635%0.348SS*.G310 helixtrans-71.9-19.4179.2-600000114.7F749F749-C751 VanDerWaalsContact C-N 3.29Å; F749-C751 PolarHBondContact O-N 3.22Å; F749-C751 VanDerWaalsContact O-N 3.08Å
752K55.7Low62.5Low132 Ų13265.5 Ų65.557%0.57434%0.338SS*.G310 helixtrans-104.5-2.4178.4-68.6-176.1179.9174.90113M294 F749 R750M294-K752 HydrophobicContact CE-CB 3.48Å; M294-K752 VanDerWaalsContact CE-CB 3.48Å; M294-K752 HydrophobicContact CE-CD 3.55Å; M294-K752 HydrophobicContact CE-CG 4.15Å; M294-K752 HydrophobicContact SD-CB 4.16Å; F749-K752 PolarHBondContact O-N 3.05Å; R750-K752 VanDerWaalsContact C-N 3.31Å; R750-K752 PolarHBondContact O-N 3.22Å
753L62.6Low64.5Low26 Ų2664.6 Ų64.614%0.13634%0.337CS..PPolyproline II helixtrans-82.7131.3-177.8-72162.9000110.8V297 Q298 L301 F749 R750V297-L753 HydrophobicContact CB-CD2 4.15Å; V297-L753 HydrophobicContact CG1-CD1 3.66Å; V297-L753 HydrophobicContact CG1-CD2 3.9Å; V297-L753 HydrophobicContact CG1-CG 4.34Å; Q298-L753 HydrophobicContact CB-CD2 4.26Å; Q298-L753 HydrophobicContact CG-CD2 3.54Å; L301-L753 HydrophobicContact CD1-CB 3.55Å; L301-L753 HydrophobicContact CD1-CD1 3.31Å; L301-L753 HydrophobicContact CD1-CD2 3.98Å; L301-L753 HydrophobicContact CD1-CG 3.76Å; L301-L753 HydrophobicContact CD2-CD1 4.47Å; L301-L753 HydrophobicContact CG-CD1 3.87Å; F749-L753 HydrophobicContact CB-CD1 3.72Å; F749-L753 HydrophobicContact CB-CD2 4.23Å; F749-L753 HydrophobicContact CB-CG 3.87Å; F749-L753 WeakPolarHBondContact O-CG 3.05Å; F749-L753 PolarHBondContact O-N 2.95Å; F749-L753 VanDerWaalsContact O-N 3.14Å; R750-L753 PolarHBondContact O-N 3.27Å
754K71.6Confident66Low173 Ų17368.6 Ų68.675%0.75236%0.355SS*.PPolyproline II helixtrans-87.1126.3169.9-170.1178.9-179.7-1780108.2
755E77.8Confident67.4Low98 Ų9865.7 Ų65.746%0.45834%0.337SS..PPolyproline II helixtrans-61.3133.8170.3-77.5-75.8175.400109.3R305R305-E755 IonicContact CZ-OE1 3.9Å; R305-E755 IonicContact CZ-OE2 3.18Å; R305-E755 IonicContact NE-OE1 2.69Å; R305-E755 IonicContact NE-OE2 3.75Å; R305-E755 PolarHBondContact NE-OE2 3.19Å; R305-E755 IonicContact NH2-OE1 3.01Å; R305-E755 PolarHBondContact NH2-OE1 3.4Å; R305-E755 IonicContact NH2-OE2 3.56Å
756P78.1Confident68.7Low33 Ų3368.7 Ų68.721%0.21435%0.347CS..PPolyproline II helixtrans-63.6145177.525.2-31.9000111M302 R305 I761M302-P756 HydrophobicContact SD-CB 3.53Å; M302-P756 VanDerWaalsContact SD-CB 3.53Å; M302-P756 HydrophobicContact SD-CG 3.95Å; R305-P756 HydrophobicContact CB-CG 4.11Å; R305-P756 HydrophobicContact CG-CG 3.9Å; P756-I761 HydrophobicContact CB-CD1 4.46Å; P756-I761 HydrophobicContact CB-CG1 4.15Å; P756-I761 HydrophobicContact CG-CD1 4.11Å; P756-I761 HydrophobicContact CG-CG1 4.17Å
757S80Confident69.9Low68 Ų6871.1 Ų71.148%0.47637%0.366SS..PPolyproline II helixtrans-68.9147.4173.759.20000110.3E759 S760 I761S757-E759 PolarHBondContact O-N 3.17Å; S757-S760 PolarHBondContact N-OG 3.44Å; S757-S760 WeakPolarHBondContact O-CB 3.28Å; S757-S760 PolarHBondContact O-N 2.92Å; S757-S760 PolarHBondContact O-OG 3.08Å; S757-S760 WeakPolarHBondContact OG-CB 3.49Å; S757-S760 PolarHBondContact OG-N 2.92Å; S757-S760 PolarHBondContact OG-OG 3.47Å; S757-I761 PolarHBondContact O-N 3.42Å
758E79.2Confident70.7Confident104 Ų10469.4 Ų69.449%0.48636%0.358SS..Hα-helixtrans-56.2-41178.3-175165.2-16100111.9R309 S760 I761 I762R309-E758 IonicContact NH1-OE1 3.46Å; E758-S760 VanDerWaalsContact C-N 3.29Å; E758-S760 PolarHBondContact O-N 3.44Å; E758-I761 WeakPolarHBondContact O-CB 3.3Å; E758-I761 PolarHBondContact O-N 2.85Å; E758-I761 VanDerWaalsContact O-N 3.12Å; E758-I762 HydrophobicContact CG-CD1 3.72Å; E758-I762 HydrophobicContact CG-CG1 4.33Å; E758-I762 WeakPolarHBondContact O-CB 3.47Å; E758-I762 VanDerWaalsContact O-CG1 3.3Å; E758-I762 WeakPolarHBondContact O-CG1 3.44Å; E758-I762 PolarHBondContact O-N 3.14Å
759E80.5Confident71.5Confident159 Ų15973.4 Ų73.474%0.74338%0.384SS*.Hα-helixtrans-55.1-41.4173.7-64.7175.7179.700113S757 A763S757-E759 PolarHBondContact O-N 3.17Å; E759-A763 VanDerWaalsContact O-CB 3.24Å; E759-A763 WeakPolarHBondContact O-CB 3.36Å; E759-A763 PolarHBondContact O-N 3.26Å
760S80.5Confident72.2Confident40 Ų4075.9 Ų75.928%0.2840%0.396SS..Hα-helixtrans-68.6-37.8179.271.10000112M302 S757 E758 E764M302-S760 VanDerWaalsContact CE-O 3.24Å; M302-S760 WeakPolarHBondContact CE-O 3.3Å; S757-S760 PolarHBondContact N-OG 3.44Å; S757-S760 WeakPolarHBondContact O-CB 3.28Å; S757-S760 PolarHBondContact O-N 2.92Å; S757-S760 PolarHBondContact O-OG 3.08Å; S757-S760 WeakPolarHBondContact OG-CB 3.49Å; S757-S760 PolarHBondContact OG-N 2.92Å; S757-S760 PolarHBondContact OG-OG 3.47Å; E758-S760 VanDerWaalsContact C-N 3.29Å; E758-S760 PolarHBondContact O-N 3.44Å; S760-E764 PolarHBondContact O-N 3Å; S760-E764 VanDerWaalsContact O-N 3.14Å
761I80.1Confident72.8Confident8 Ų871.1 Ų71.14%0.04138%0.378CS..Hα-helixtrans-65-48.2178.3-62.2169.8000109.1M302 R305 V306 R309 P756 S757 E758 E764 I765M302-I761 HydrophobicContact CE-CG1 4.34Å; M302-I761 HydrophobicContact SD-CG1 4.18Å; R305-I761 HydrophobicContact CB-CD1 3.92Å; R305-I761 HydrophobicContact CB-CG1 4.37Å; V306-I761 HydrophobicContact CG2-CB 4.49Å; V306-I761 HydrophobicContact CG2-CG2 4.01Å; R309-I761 HydrophobicContact CB-CG2 3.75Å; R309-I761 HydrophobicContact CG-CG2 3.98Å; P756-I761 HydrophobicContact CB-CD1 4.46Å; P756-I761 HydrophobicContact CB-CG1 4.15Å; P756-I761 HydrophobicContact CG-CD1 4.11Å; P756-I761 HydrophobicContact CG-CG1 4.17Å; S757-I761 PolarHBondContact O-N 3.42Å; E758-I761 WeakPolarHBondContact O-CB 3.3Å; E758-I761 PolarHBondContact O-N 2.85Å; E758-I761 VanDerWaalsContact O-N 3.12Å; I761-E764 PolarHBondContact O-N 3.14Å; I761-I765 HydrophobicContact CG2-CD1 4.08Å; I761-I765 WeakPolarHBondContact O-CG1 3.34Å; I761-I765 PolarHBondContact O-N 3.08Å; I761-I765 VanDerWaalsContact O-N 3.07Å
762I80.3Confident73.4Confident43 Ų4374.4 Ų74.422%0.22138%0.375CS..Hα-helixtrans-64.3-43.5-179.4-70.5177.2000110.8E758 E764 I765 Y766E758-I762 HydrophobicContact CG-CD1 3.72Å; E758-I762 HydrophobicContact CG-CG1 4.33Å; E758-I762 WeakPolarHBondContact O-CB 3.47Å; E758-I762 VanDerWaalsContact O-CG1 3.3Å; E758-I762 WeakPolarHBondContact O-CG1 3.44Å; E758-I762 PolarHBondContact O-N 3.14Å; I762-E764 VanDerWaalsContact C-N 3.31Å; I762-E764 PolarHBondContact O-N 3.18Å; I762-I765 PolarHBondContact O-N 3.39Å; I762-Y766 HydrophobicContact CB-CE2 4.44Å; I762-Y766 HydrophobicContact CG2-CD2 3.4Å; I762-Y766 HydrophobicContact CG2-CE2 3.02Å; I762-Y766 VanDerWaalsContact O-CD2 3.23Å; I762-Y766 WeakPolarHBondContact O-CD2 3.28Å; I762-Y766 PolarHBondContact O-N 3.47Å
763A80.2Confident73.3Confident60 Ų6073.3 Ų73.350%0.49638%0.375SS..Hα-helixtrans-59.1-40.6175.900000112.5E759 S767E759-A763 VanDerWaalsContact O-CB 3.24Å; E759-A763 WeakPolarHBondContact O-CB 3.36Å; E759-A763 PolarHBondContact O-N 3.26Å; A763-S767 PolarHBondContact O-N 3.26Å; A763-S767 VanDerWaalsContact O-N 3.14Å
764E78.5Confident72.9Confident104 Ų10478.5 Ų78.549%0.48640%0.397SS..Hα-helixtrans-67.6-39.1176.8-166.373.9-176.200111.5M302 V306 S760 I761 I762 S767M302-E764 HydrophobicContact CE-CB 4.03Å; V306-E764 HydrophobicContact CG1-CG 4.33Å; V306-E764 HydrophobicContact CG2-CB 3.99Å; V306-E764 HydrophobicContact CG2-CG 4.11Å; S760-E764 PolarHBondContact O-N 3Å; S760-E764 VanDerWaalsContact O-N 3.14Å; I761-E764 PolarHBondContact O-N 3.14Å; I762-E764 VanDerWaalsContact C-N 3.31Å; I762-E764 PolarHBondContact O-N 3.18Å; E764-S767 WeakPolarHBondContact O-CB 3.45Å; E764-S767 PolarHBondContact O-N 3.48Å; E764-S767 PolarHBondContact O-OG 3.4Å
765I78.4Confident71.6Confident4 Ų475 Ų752%0.02139%0.39CS..Hα-helixtrans-63.9-45.8176.5-68169.4000110.8I33 V306 R309 I761 I762 S767 H768 F771I33-I765 HydrophobicContact CD1-CG1 4.43Å; V306-I765 HydrophobicContact CG1-CG1 3.92Å; R309-I765 HydrophobicContact CB-CD1 3.71Å; R309-I765 HydrophobicContact CG-CD1 3.33Å; I761-I765 HydrophobicContact CG2-CD1 4.08Å; I761-I765 WeakPolarHBondContact O-CG1 3.34Å; I761-I765 PolarHBondContact O-N 3.08Å; I761-I765 VanDerWaalsContact O-N 3.07Å; I762-I765 PolarHBondContact O-N 3.39Å; I765-S767 PolarHBondContact O-N 3.49Å; I765-H768 WeakPolarHBondContact O-CB 3.38Å; I765-H768 PolarHBondContact O-N 2.73Å; I765-F771 HydrophobicContact CG2-CB 4.04Å; I765-F771 HydrophobicContact CG2-CD1 4.01Å; I765-F771 HydrophobicContact CG2-CD2 3.91Å; I765-F771 HydrophobicContact CG2-CE1 4.45Å; I765-F771 HydrophobicContact CG2-CE2 4.37Å; I765-F771 HydrophobicContact CG2-CG 3.72Å
766Y75.3Confident69.5Low93 Ų9374.4 Ų74.437%0.36540%0.402SS..Hα-helixtrans-72.6-11.5179.9-66.6-47.1000114.3I762 H768 V775I762-Y766 HydrophobicContact CB-CE2 4.44Å; I762-Y766 HydrophobicContact CG2-CD2 3.4Å; I762-Y766 HydrophobicContact CG2-CE2 3.02Å; I762-Y766 VanDerWaalsContact O-CD2 3.23Å; I762-Y766 WeakPolarHBondContact O-CD2 3.28Å; I762-Y766 PolarHBondContact O-N 3.47Å; Y766-H768 PolarHBondContact O-N 3.31Å; Y766-V775 HydrophobicContact CE1-CG2 3.77Å
767S73.4Confident67.3Low74 Ų7483 Ų8352%0.51745%0.445SS..THydrogen-bonded Turntrans-67.4-21.1166.582.40000112.2A763 E764 I765A763-S767 PolarHBondContact O-N 3.26Å; A763-S767 VanDerWaalsContact O-N 3.14Å; E764-S767 WeakPolarHBondContact O-CB 3.45Å; E764-S767 PolarHBondContact O-N 3.48Å; E764-S767 PolarHBondContact O-OG 3.4Å; I765-S767 PolarHBondContact O-N 3.49Å
768H69.3Low66.7Low7 Ų783.8 Ų83.83%0.03244%0.443CS..SBendtrans-78.3129-178.1-164.4-93.4000111.5I33 N34 I765 Y766 H770 F771 R772I33-H768 PolarHBondContact O-NE2 2.96Å; N34-H768 VanDerWaalsContact CA-NE2 3.32Å; N34-H768 WeakPolarHBondContact CA-NE2 3.28Å; I765-H768 WeakPolarHBondContact O-CB 3.38Å; I765-H768 PolarHBondContact O-N 2.73Å; Y766-H768 PolarHBondContact O-N 3.31Å; H768-H770 VanDerWaalsContact C-N 3.27Å; H768-H770 AromaticContact CE1-CD2 3.84Å; H768-H770 PolarHBondContact ND1-N 3.16Å; H768-H770 PolarHBondContact O-N 3.08Å; H768-F771 HydrophobicContact CB-CD2 3.9Å; H768-F771 AromaticContact ND1-CD2 3.81Å; H768-F771 PolarHBondContact O-N 3.12Å; H768-F771 VanDerWaalsContact O-N 3.11Å; H768-R772 PolarHBondContact O-N 2.98Å
769P64.5Low66Low91 Ų9182.7 Ų82.759%0.59144%0.441SS*.Hα-helixtrans-61.8-31.6-171.921.1-31.8000113.8
770H65.2Low65.2Low60 Ų6078.4 Ų78.428%0.27842%0.424SS..Hα-helixtrans-72-36.6177.3-78.9-82.6000113.2L37 H768 R772 N773 F774L37-H770 HydrophobicContact CD1-CB 4.21Å; H768-H770 VanDerWaalsContact C-N 3.27Å; H768-H770 AromaticContact CE1-CD2 3.84Å; H768-H770 PolarHBondContact ND1-N 3.16Å; H768-H770 PolarHBondContact O-N 3.08Å; H770-R772 VanDerWaalsContact C-N 3.32Å; H770-N773 PolarHBondContact O-N 2.87Å; H770-F774 WeakPolarHBondContact O-CD2 3.5Å
771F68.1Low64.3Low7 Ų780.7 Ų80.73%0.03143%0.433CS..Hα-helixtrans-76.7-22.4179.8-74.9-75.5000112.3F23 I33 A310 E313 V314 I765 H768 N773 F774F23-F771 HydrophobicContact CE2-CE2 4.47Å; F23-F771 AromaticContact CE2-CZ 3.97Å; F23-F771 HydrophobicContact CE2-CZ 3.97Å; F23-F771 HydrophobicContact CZ-CE2 4.09Å; F23-F771 HydrophobicContact CZ-CZ 4.04Å; I33-F771 HydrophobicContact CD1-CE2 4.48Å; A310-F771 HydrophobicContact CB-CE2 4.31Å; A310-F771 HydrophobicContact CB-CZ 3.99Å; E313-F771 HydrophobicContact CB-CE1 3.94Å; V314-F771 HydrophobicContact CG2-CE1 4.09Å; V314-F771 HydrophobicContact CG2-CZ 4.05Å; I765-F771 HydrophobicContact CG2-CB 4.04Å; I765-F771 HydrophobicContact CG2-CD1 4.01Å; I765-F771 HydrophobicContact CG2-CD2 3.91Å; I765-F771 HydrophobicContact CG2-CE1 4.45Å; I765-F771 HydrophobicContact CG2-CE2 4.37Å; I765-F771 HydrophobicContact CG2-CG 3.72Å; H768-F771 HydrophobicContact CB-CD2 3.9Å; H768-F771 AromaticContact ND1-CD2 3.81Å; H768-F771 PolarHBondContact O-N 3.12Å; H768-F771 VanDerWaalsContact O-N 3.11Å; F771-N773 PolarHBondContact O-N 3.11Å; F771-F774 PolarHBondContact O-N 2.95Å
772R62.1Low63.3Low178 Ų17885.3 Ų85.367%0.67246%0.457SS*.Hα-helixtrans-61.8-27.7173.1-165.5-178.1-91.2-167.3-7.8112.6H768 H770H768-R772 PolarHBondContact O-N 2.98Å; H770-R772 VanDerWaalsContact C-N 3.32Å
773N54.6Low62.2Low110 Ų11088.1 Ų88.159%0.58847%0.473SS*.Hα-helixtrans-84-21.4178.6-68.2-10.7000113.6H770 F771 V775 A776H770-N773 PolarHBondContact O-N 2.87Å; F771-N773 PolarHBondContact O-N 3.11Å; N773-V775 PolarHBondContact O-N 2.83Å; N773-A776 PolarHBondContact O-N 2.95Å
774F53.8Low60.9Low134 Ų13490.1 Ų90.159%0.58847%0.471SS*.THydrogen-bonded Turntrans-71.7-8.7178.3-90-83000113.9H770 F771H770-F774 WeakPolarHBondContact O-CD2 3.5Å; F771-F774 PolarHBondContact O-N 2.95Å
775V43.5Very low59.6Low100 Ų10089 Ų8961%0.60647%0.47SS*.THydrogen-bonded Turntrans-110.1-2.2177.3-177.50000111.7Y766 N773Y766-V775 HydrophobicContact CE1-CG2 3.77Å; N773-V775 PolarHBondContact O-N 2.83Å
776A35.2Very low58Low85 Ų8596.1 Ų96.170%0.70251%0.508SS*.  trans-965176.100000113.4N773N773-A776 PolarHBondContact O-N 2.95Å
777L31Very low56.4Low214 Ų21496.4 Ų96.4100%1.1252%0.521SS*.  trans-121.70168.7-82.5158.4000107.2

Retrieved 777 of 777 residues in 1094.1 ms (Link to these results)

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