A0A096NW39_PAPAN Loading...

Cytochrome P450 2W1

AlphaFold DB , UniProt , Accession A0A096NW39, Species PAPAN (Papio anubis, Olive baboon), Gene CYP2W1, Length 490 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
1M57.9Low74Confident179 Ų179109.5 Ų109.588%0.88261%0.61SS**  0-67.10-83.5-62.1-5400112.5L3 L4 L5M1-L3 PolarHBondContact O-N 2.98Å; M1-L4 PolarHBondContact O-N 3.24Å; M1-L5 HydrophobicContact CE-CD1 4.3Å; M1-L5 PolarHBondContact O-N 3.48Å; M1-L5 VanDerWaalsContact O-N 3.12Å
2A63.7Low74.2Confident76 Ų76108.3 Ų108.363%0.62860%0.6SS**Hα-helixtrans-61.8-40.4-175.600000115L5 L6A2-L5 PolarHBondContact O-N 2.85Å; A2-L6 PolarHBondContact O-N 3.45Å
3L69.8Low74.4Confident139 Ų139102.7 Ų102.773%0.72858%0.583SS**Hα-helixtrans-65.8-40.6179-130.6103.9000112.6M1 L5 L6 L7M1-L3 PolarHBondContact O-N 2.98Å; L3-L5 VanDerWaalsContact C-N 3.32Å; L3-L6 PolarHBondContact O-N 3.34Å; L3-L7 WeakPolarHBondContact O-CB 3.44Å; L3-L7 PolarHBondContact O-N 3.17Å
4L67.3Low74.7Confident131 Ų131101.1 Ų101.169%0.68657%0.571SS**Hα-helixtrans-65.4-36.3175.7-90.4150000111.7M1 L7 L8M1-L4 PolarHBondContact O-N 3.24Å; L4-L7 PolarHBondContact O-N 3.32Å; L4-L8 VanDerWaalsContact O-CB 3.31Å; L4-L8 WeakPolarHBondContact O-CB 3.26Å; L4-L8 PolarHBondContact O-N 3.5Å
5L72.4Confident74.7Confident95 Ų95102.9 Ų102.950%0.49757%0.566SS.*Hα-helixtrans-68.2-41.4176.9-136111.4000111.7M1 A2 L3 L8 L9M1-L5 HydrophobicContact CE-CD1 4.3Å; M1-L5 PolarHBondContact O-N 3.48Å; M1-L5 VanDerWaalsContact O-N 3.12Å; A2-L5 PolarHBondContact O-N 2.85Å; L3-L5 VanDerWaalsContact C-N 3.32Å; L5-L8 PolarHBondContact O-N 3.12Å; L5-L9 HydrophobicContact CD2-CD1 4.21Å; L5-L9 WeakPolarHBondContact O-CB 3.47Å; L5-L9 WeakPolarHBondContact O-CD1 3.47Å; L5-L9 VanDerWaalsContact O-CG 3.27Å; L5-L9 WeakPolarHBondContact O-CG 3.34Å; L5-L9 PolarHBondContact O-N 3.46Å
6L78.3Confident74.5Confident121 Ų12198.6 Ų98.663%0.63455%0.552SS**Hα-helixtrans-64.2-39.6173.9-78.5163.2000112A2 L3 G10A2-L6 PolarHBondContact O-N 3.45Å; L3-L6 PolarHBondContact O-N 3.34Å; L6-G10 PolarHBondContact O-N 3.24Å
7L82.2Confident74.1Confident107 Ų10797.5 Ų97.556%0.5654%0.544SS*.Hα-helixtrans-69.6-39.3178.1-135.1143.6000111.5L3 L4 G10 L11L3-L7 WeakPolarHBondContact O-CB 3.44Å; L3-L7 PolarHBondContact O-N 3.17Å; L4-L7 PolarHBondContact O-N 3.32Å; L7-G10 PolarHBondContact O-N 2.87Å; L7-L11 HydrophobicContact CD2-CD1 3.86Å; L7-L11 HydrophobicContact CD2-CG 4.42Å; L7-L11 WeakPolarHBondContact O-CB 3.28Å; L7-L11 VanDerWaalsContact O-CG 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 2.88Å
8L76.7Confident73.8Confident106 Ų10696.5 Ų96.556%0.55554%0.537SS*.Hα-helixtrans-67-42.8174.7-163.486.6000111.8L4 L5 G10 L11 L12L4-L8 VanDerWaalsContact O-CB 3.31Å; L4-L8 WeakPolarHBondContact O-CB 3.26Å; L4-L8 PolarHBondContact O-N 3.5Å; L5-L8 PolarHBondContact O-N 3.12Å; L8-G10 VanDerWaalsContact C-N 3.33Å; L8-L11 PolarHBondContact O-N 3.47Å; L8-L12 HydrophobicContact CD2-CD1 4.18Å; L8-L12 HydrophobicContact CG-CD1 4.07Å; L8-L12 VanDerWaalsContact O-CB 3.32Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 2.72Å
9L80.5Confident73Confident107 Ų10798.5 Ų98.556%0.5654%0.536SS*.Hα-helixtrans-64.2-38.5174-76.6165.5000111.5L5 G13L5-L9 HydrophobicContact CD2-CD1 4.21Å; L5-L9 WeakPolarHBondContact O-CB 3.47Å; L5-L9 WeakPolarHBondContact O-CD1 3.47Å; L5-L9 VanDerWaalsContact O-CG 3.27Å; L5-L9 WeakPolarHBondContact O-CG 3.34Å; L5-L9 PolarHBondContact O-N 3.46Å; L9-G13 PolarHBondContact O-N 3.12Å
10G81.9Confident72.4Confident45 Ų4596.9 Ų96.946%0.46454%0.536SS..Hα-helixtrans-63-44.2172.300000112.5L6 L7 L8 G13 L14L6-G10 PolarHBondContact O-N 3.24Å; L7-G10 PolarHBondContact O-N 2.87Å; L8-G10 VanDerWaalsContact C-N 3.33Å; G10-G13 PolarHBondContact O-N 3.49Å; G10-L14 VanDerWaalsContact O-CB 3.25Å; G10-L14 WeakPolarHBondContact O-CB 3.42Å; G10-L14 PolarHBondContact O-N 3.48Å
11L83.5Confident71.6Confident98 Ų9897.3 Ų97.351%0.51353%0.53SS..Hα-helixtrans-69.2-38.9177.5-77.3165.4000112.7L7 L8 L14 W15L7-L11 HydrophobicContact CD2-CD1 3.86Å; L7-L11 HydrophobicContact CD2-CG 4.42Å; L7-L11 WeakPolarHBondContact O-CB 3.28Å; L7-L11 VanDerWaalsContact O-CG 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 2.88Å; L8-L11 PolarHBondContact O-N 3.47Å; L11-L14 PolarHBondContact O-N 3.24Å; L11-W15 WeakPolarHBondContact O-CB 3.32Å; L11-W15 PolarHBondContact O-N 2.87Å
12L76.1Confident71.5Confident95 Ų9592.9 Ų92.950%0.49752%0.522SS..Hα-helixtrans-69.3-37.5174.4-76.9163.6000111.7L8 W15 G16L8-L12 HydrophobicContact CD2-CD1 4.18Å; L8-L12 HydrophobicContact CG-CD1 4.07Å; L8-L12 VanDerWaalsContact O-CB 3.32Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 WeakPolarHBondContact O-CG 3.35Å; L8-L12 PolarHBondContact O-N 2.72Å; L12-W15 PolarHBondContact O-N 3.27Å; L12-G16 PolarHBondContact O-N 2.97Å
13G77.3Confident70.6Confident36 Ų3698.3 Ų98.337%0.37153%0.526SS..Hα-helixtrans-64.3-45.3171.200000111.8L9 G10 G16 L17L9-G13 PolarHBondContact O-N 3.12Å; G10-G13 PolarHBondContact O-N 3.49Å; G13-G16 PolarHBondContact O-N 3.23Å; G13-L17 WeakPolarHBondContact O-CB 3.49Å; G13-L17 WeakPolarHBondContact O-CD1 3.4Å; G13-L17 VanDerWaalsContact O-CG 3.26Å; G13-L17 WeakPolarHBondContact O-CG 3.45Å; G13-L17 PolarHBondContact O-N 2.93Å
14L77.8Confident69.6Low81 Ų8196 Ų9642%0.42452%0.515SS..Hα-helixtrans-62.9-42.5175.2-173.467.9000111.4G10 L11 L17 L18G10-L14 VanDerWaalsContact O-CB 3.25Å; G10-L14 WeakPolarHBondContact O-CB 3.42Å; G10-L14 PolarHBondContact O-N 3.48Å; L11-L14 PolarHBondContact O-N 3.24Å; L14-L17 PolarHBondContact O-N 2.83Å; L14-L18 HydrophobicContact CG-CD1 4.12Å; L14-L18 WeakPolarHBondContact O-CB 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.33Å; L14-L18 PolarHBondContact O-N 3.02Å
15W75.2Confident68.5Low128 Ų12896 Ų9649%0.48552%0.52SS..Hα-helixtrans-68.3-38.6176.9-177.385.3000112.6L11 L12 L18 R19L11-W15 WeakPolarHBondContact O-CB 3.32Å; L11-W15 PolarHBondContact O-N 2.87Å; L12-W15 PolarHBondContact O-N 3.27Å; W15-L18 PolarHBondContact O-N 3.44Å; W15-R19 VanDerWaalsContact CZ2-NH2 3.29Å; W15-R19 WeakPolarHBondContact O-CB 3.49Å; W15-R19 PolarHBondContact O-N 3.08Å
16G71.8Confident67.5Low34 Ų3493.4 Ų93.435%0.35151%0.51SS..Hα-helixtrans-63.3-42.1171.900000112.1L12 G13 R19 A20L12-G16 PolarHBondContact O-N 2.97Å; G13-G16 PolarHBondContact O-N 3.23Å; G16-R19 PolarHBondContact O-N 3.12Å; G16-A20 VanDerWaalsContact O-CB 3.31Å; G16-A20 WeakPolarHBondContact O-CB 3.35Å; G16-A20 PolarHBondContact O-N 3.09Å
17L67.3Low65.9Low80 Ų8093 Ų9342%0.41952%0.515SS..Hα-helixtrans-64-45.1173.8-77.7163.3000111.8G13 L14 R19 A20 Y21 L40G13-L17 WeakPolarHBondContact O-CB 3.49Å; G13-L17 WeakPolarHBondContact O-CD1 3.4Å; G13-L17 VanDerWaalsContact O-CG 3.26Å; G13-L17 WeakPolarHBondContact O-CG 3.45Å; G13-L17 PolarHBondContact O-N 2.93Å; L14-L17 PolarHBondContact O-N 2.83Å; L17-R19 VanDerWaalsContact C-N 3.34Å; L17-R19 PolarHBondContact O-N 3.13Å; L17-A20 PolarHBondContact O-N 3.15Å; L17-Y21 WeakPolarHBondContact O-CB 3.44Å; L17-Y21 PolarHBondContact O-N 2.93Å; L17-L40 HydrophobicContact CD1-CD1 4.43Å; L17-L40 HydrophobicContact CD1-CD2 3.97Å; L17-L40 HydrophobicContact CD1-CG 4.4Å; L17-L40 HydrophobicContact CD2-CD2 3.94Å
18L67.9Low64.5Low79 Ų7992 Ų9241%0.41452%0.522SS..Hα-helixtrans-64.2-37.2176.4-72.4167.6000111.9L14 W15 A22 P39L14-L18 HydrophobicContact CG-CD1 4.12Å; L14-L18 WeakPolarHBondContact O-CB 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.33Å; L14-L18 PolarHBondContact O-N 3.02Å; W15-L18 PolarHBondContact O-N 3.44Å; L18-A22 VanDerWaalsContact O-CB 3.32Å; L18-A22 WeakPolarHBondContact O-CB 3.24Å; L18-A22 PolarHBondContact O-N 3.03Å; L18-P39 HydrophobicContact CD2-CG 4.05Å
19R60.3Low63.5Low135 Ų13595.3 Ų95.351%0.50954%0.535SS..Hα-helixtrans-72.8-38.2174.8-88.6-169.6167.6-169.31.5113.5W15 G16 L17 Y21 A22 R23W15-R19 VanDerWaalsContact CZ2-NH2 3.29Å; W15-R19 WeakPolarHBondContact O-CB 3.49Å; W15-R19 PolarHBondContact O-N 3.08Å; G16-R19 PolarHBondContact O-N 3.12Å; L17-R19 VanDerWaalsContact C-N 3.34Å; L17-R19 PolarHBondContact O-N 3.13Å; R19-Y21 VanDerWaalsContact C-N 3.31Å; R19-A22 PolarHBondContact O-N 3.12Å; R19-R23 VanDerWaalsContact O-CB 3.26Å; R19-R23 WeakPolarHBondContact O-CB 3.5Å; R19-R23 WeakPolarHBondContact O-CG 3.49Å; R19-R23 PolarHBondContact O-N 3.42Å
20A59.4Low63.3Low66 Ų6697.2 Ų97.255%0.54553%0.534SS..Hα-helixtrans-66-38.4174.200000110.8G16 L17 R23G16-A20 VanDerWaalsContact O-CB 3.31Å; G16-A20 WeakPolarHBondContact O-CB 3.35Å; G16-A20 PolarHBondContact O-N 3.09Å; L17-A20 PolarHBondContact O-N 3.15Å; A20-R23 CarbonylContact O-C 3.49Å; A20-R23 PolarHBondContact O-N 3.4Å
21Y56.9Low63.6Low106 Ų10697.4 Ų97.442%0.41652%0.521SS..Hα-helixtrans-66.8-41.2173.9179.2-102.7000112.6L17 R19 R23 D24 P37L17-Y21 WeakPolarHBondContact O-CB 3.44Å; L17-Y21 PolarHBondContact O-N 2.93Å; R19-Y21 VanDerWaalsContact C-N 3.31Å; Y21-R23 PolarHBondContact O-N 2.82Å; Y21-D24 PolarHBondContact O-N 2.64Å; Y21-P37 HydrophobicContact CE2-CG 3.74Å; Y21-P37 WeakPolarHBondContact OH-CD 3.48Å; Y21-P37 WeakPolarHBondContact OH-CG 3.48Å; Y21-P37 PolarHBondContact OH-O 3.12Å
22A54.7Low64.1Low86 Ų8693 Ų9371%0.71150%0.499SS*.Hα-helixtrans-69.9-13.917200000113.7L18 R19L18-A22 VanDerWaalsContact O-CB 3.32Å; L18-A22 WeakPolarHBondContact O-CB 3.24Å; L18-A22 PolarHBondContact O-N 3.03Å; R19-A22 PolarHBondContact O-N 3.12Å
23R44.8Very low65Low189 Ų18991.3 Ų91.371%0.71349%0.493SS*.THydrogen-bonded Turntrans-10120.8177.9-84.7-177.1169.8179.1-3.6113.2R19 A20 Y21 T25R19-R23 VanDerWaalsContact O-CB 3.26Å; R19-R23 WeakPolarHBondContact O-CB 3.5Å; R19-R23 WeakPolarHBondContact O-CG 3.49Å; R19-R23 PolarHBondContact O-N 3.42Å; A20-R23 CarbonylContact O-C 3.49Å; A20-R23 PolarHBondContact O-N 3.4Å; Y21-R23 PolarHBondContact O-N 2.82Å; R23-T25 PolarHBondContact O-N 2.97Å
24D49Very low65.9Low91 Ų9191.1 Ų91.149%0.48749%0.491SS..  trans-66.882.7162.2-167.63.4000108.3Y21 S26 K75Y21-D24 PolarHBondContact O-N 2.64Å; D24-S26 PolarHBondContact O-N 3.49Å; D24-S26 WeakPolarHBondContact OD1-CB 3.27Å; D24-S26 PolarHBondContact OD1-N 3.33Å; D24-S26 PolarHBondContact OD1-OG 2.77Å; D24-K75 IonicContact OD2-NZ 3.32Å
25T45.3Very low66.7Low130 Ų13087.6 Ų87.680%0.79847%0.473SS*.  trans-79.134.2176.353.60000110.7R23R23-T25 PolarHBondContact O-N 2.97Å
26S49.8Very low67.5Low42 Ų4286.5 Ų86.529%0.29448%0.483SS..SBendtrans-67.1130.2161.5-660000107.2D24 A28D24-S26 PolarHBondContact O-N 3.49Å; D24-S26 WeakPolarHBondContact OD1-CB 3.27Å; D24-S26 PolarHBondContact OD1-N 3.33Å; D24-S26 PolarHBondContact OD1-OG 2.77Å; S26-A28 PolarHBondContact O-N 3.48Å
27P45.7Very low68.5Low111 Ų11185.5 Ų85.572%0.72147%0.471SS*.  trans-55.9112.8-178.820-29.2000108.9H29P27-H29 PolarHBondContact O-N 2.97Å
28A53.4Low69.7Low87 Ų8785.5 Ų85.572%0.71947%0.471SS*.G310 helixtrans-61.5-8.4-169.200000114S26 R30S26-A28 PolarHBondContact O-N 3.48Å; A28-R30 PolarHBondContact O-N 3.15Å
29H54.3Low70.6Confident176 Ų17684.5 Ų84.582%0.81547%0.469SS*.G310 helixtrans-83.7-5.3-159.8-87.3-65.5000116.9P27P27-H29 PolarHBondContact O-N 2.97Å
30R77.7Confident71.8Confident146 Ų14682.5 Ų82.555%0.55147%0.468SS*.G310 helixtrans-15130.2-179.1-62.8-171-174.3177.22115.8A28 F377 L378A28-R30 PolarHBondContact O-N 3.15Å; R30-F377 CarbonylContact O-C 3.45Å; R30-F377 WeakPolarHBondContact O-CA 3.47Å; R30-F377 VanDerWaalsContact O-CB 3.29Å; R30-F377 WeakPolarHBondContact O-CB 3.38Å; R30-F377 WeakPolarHBondContact O-CD1 3.44Å; R30-L378 HydrophobicContact CB-CB 4.15Å; R30-L378 PolarHBondContact O-N 2.9Å
31W88.1Confident73.2Confident49 Ų4982.7 Ų82.719%0.18646%0.459CS..PPolyproline II helixtrans-84.9147.2170.7-82.593.6000111.3K75 V77 F377 L379 P380 T383W31-K75 HydrophobicContact CE3-CD 4.31Å; W31-K75 HydrophobicContact CH2-CD 4.25Å; W31-K75 HydrophobicContact CZ2-CD 4.5Å; W31-K75 HydrophobicContact CZ3-CD 4.15Å; W31-V77 HydrophobicContact CZ3-CG2 4.12Å; W31-F377 VanDerWaalsContact C-CD1 3.4Å; W31-F377 WeakPolarHBondContact O-CD1 3.49Å; W31-F377 WeakPolarHBondContact O-CE1 3.46Å; W31-L379 HydrophobicContact CE3-CD2 4.38Å; W31-L379 HydrophobicContact CZ3-CD2 4.22Å; W31-P380 VanDerWaalsContact CH2-CD 3.5Å; W31-P380 HydrophobicContact CH2-CG 4.21Å; W31-P380 HydrophobicContact CZ2-CG 3.72Å; W31-T383 HydrophobicContact CH2-CG2 4.14Å; W31-T383 HydrophobicContact CZ3-CG2 4.04Å
32P93.6Very high75Confident7 Ų777.8 Ų77.85%0.04544%0.44CS..PPolyproline II helixtrans-59.2143.5170.9-22.334.1000112V66 T68 V77 F377 L379P32-V66 HydrophobicContact CB-CG1 3.83Å; P32-V66 HydrophobicContact CG-CG1 3.68Å; P32-T68 PolarHBondContact O-OG1 3Å; P32-V77 HydrophobicContact CG-CG1 4.17Å; P32-V77 HydrophobicContact CG-CG2 4.26Å; P32-F377 HydrophobicContact CB-CD1 4.35Å; P32-F377 HydrophobicContact CB-CD2 4.31Å; P32-F377 HydrophobicContact CB-CE1 4.38Å; P32-F377 HydrophobicContact CB-CE2 4.33Å; P32-F377 HydrophobicContact CB-CG 4.3Å; P32-F377 HydrophobicContact CB-CZ 4.37Å; P32-F377 HydrophobicContact CG-CB 3.98Å; P32-F377 HydrophobicContact CG-CD1 4.1Å; P32-F377 HydrophobicContact CG-CD2 3.93Å; P32-F377 HydrophobicContact CG-CE2 4.44Å; P32-F377 HydrophobicContact CG-CG 3.72Å; P32-L379 HydrophobicContact CG-CD2 4.12Å
33P94.4Very high76.9Confident59 Ų5973.7 Ų73.738%0.38341%0.407SS..PPolyproline II helixtrans-62.2165177.630.5-38.1000111Y63 F67 T68P33-Y63 HydrophobicContact CB-CD1 4.46Å; P33-Y63 WeakPolarHBondContact CG-O 3.37Å; P33-F67 CarbonylContact O-C 3.52Å; P33-F67 WeakPolarHBondContact O-CA 3.31Å; P33-F67 WeakPolarHBondContact O-CB 3.46Å; P33-T68 PolarHBondContact O-N 3.3Å
34G95.4Very high79.1Confident31 Ų3166.5 Ų66.532%0.3238%0.382SS..  trans-179.4169.1177.200000113.2Y63 T68G34-Y63 WeakPolarHBondContact O-CE1 3.48Å; G34-T68 WeakPolarHBondContact CA-O 3.16Å
35P94.8Very high81.1Confident7 Ų766.9 Ų66.95%0.04538%0.381CS..PPolyproline II helixtrans-62.8138.3176.225-32.9000111.6P37 N43 L46 L59 Y63 T68P35-P37 WeakPolarHBondContact O-CD 3.39Å; P35-P37 VanDerWaalsContact O-N 3.17Å; P35-N43 HydrophobicContact CG-CB 4.33Å; P35-N43 WeakPolarHBondContact CG-ND2 3.5Å; P35-N43 PolarHBondContact O-ND2 2.85Å; P35-N43 VanDerWaalsContact O-ND2 3.07Å; P35-L46 HydrophobicContact CB-CD1 3.58Å; P35-L46 HydrophobicContact CG-CD1 3.84Å; P35-L59 HydrophobicContact CG-CD2 4.32Å; P35-Y63 VanDerWaalsContact CA-OH 3.31Å; P35-Y63 WeakPolarHBondContact CA-OH 3.44Å; P35-Y63 HydrophobicContact CB-CE2 4Å; P35-Y63 HydrophobicContact CG-CE2 4.15Å; P35-T68 WeakPolarHBondContact CD-O 3.44Å
36C92.6Very high83.4Confident105 Ų10563.8 Ų63.871%0.70936%0.359SS*.PPolyproline II helixtrans-58.1119.7174.9-170.50000109.6N43C36-N43 PolarHBondContact O-ND2 3.13Å
37P93.3Very high85.4Confident14 Ų1462.4 Ų62.49%0.09135%0.348CS..PPolyproline II helixtrans-77.8142.4-177.231.6-35.1000111.5Y21 P35 N43 H70Y21-P37 HydrophobicContact CE2-CG 3.74Å; Y21-P37 WeakPolarHBondContact OH-CD 3.48Å; Y21-P37 WeakPolarHBondContact OH-CG 3.48Å; Y21-P37 PolarHBondContact OH-O 3.12Å; P35-P37 WeakPolarHBondContact O-CD 3.39Å; P35-P37 VanDerWaalsContact O-N 3.17Å; P37-N43 WeakPolarHBondContact CA-ND2 3.25Å; P37-H70 HydrophobicContact CB-CB 3.75Å; P37-H70 HydrophobicContact CG-CB 4.47Å; P37-H70 WeakPolarHBondContact CG-ND1 3.25Å
38L91.2Very high87.4Confident80 Ų8062.4 Ų62.442%0.41933%0.334SS..BIsolated β-bridgetrans-77.2152.2172.4-64.9177.9000110.4L40 I41 G42 H45L38-L40 PolarHBondContact O-N 3.1Å; L38-I41 HydrophobicContact CB-CD1 4.29Å; L38-I41 HydrophobicContact CB-CG1 3.78Å; L38-I41 HydrophobicContact CD1-CD1 3.85Å; L38-I41 HydrophobicContact CD1-CG1 4.27Å; L38-G42 PolarHBondContact N-O 3.5Å; L38-G42 WeakPolarHBondContact O-CA 3.39Å; L38-G42 PolarHBondContact O-N 3.02Å; L38-H45 WeakPolarHBondContact CD1-ND1 3.39Å
39P87.7Confident88.4Confident57 Ų5763 Ų6337%0.3733%0.325SS..THydrogen-bonded Turntrans-54.3137173.9-24.233.7000111.3L18 I41L18-P39 HydrophobicContact CD2-CG 4.05Å; P39-I41 PolarHBondContact O-N 3.22Å
40L85.2Confident89.3Confident94 Ų9458.7 Ų58.749%0.49231%0.314SS..THydrogen-bonded Turntrans66.7-51.6179.8-55.1170.7000115.4L17 L38 G72 Y220L17-L40 HydrophobicContact CD1-CD1 4.43Å; L17-L40 HydrophobicContact CD1-CD2 3.97Å; L17-L40 HydrophobicContact CD1-CG 4.4Å; L17-L40 HydrophobicContact CD2-CD2 3.94Å; L38-L40 PolarHBondContact O-N 3.1Å; L40-G72 CarbonylContact O-C 3.45Å; L40-G72 WeakPolarHBondContact O-CA 3.45Å; L40-Y220 VanDerWaalsContact C-OH 3.29Å; L40-Y220 PolarHBondContact O-OH 3.21Å
41I89.9Confident89.5Confident70 Ų7055.4 Ų55.436%0.35931%0.305SS..THydrogen-bonded Turntrans-86.6-13.8-174.467.1171.2000114.8L38 P39 N43 L44 H45 Y220L38-I41 HydrophobicContact CB-CD1 4.29Å; L38-I41 HydrophobicContact CB-CG1 3.78Å; L38-I41 HydrophobicContact CD1-CD1 3.85Å; L38-I41 HydrophobicContact CD1-CG1 4.27Å; P39-I41 PolarHBondContact O-N 3.22Å; I41-N43 PolarHBondContact O-N 3.15Å; I41-L44 WeakPolarHBondContact O-CB 3.36Å; I41-L44 VanDerWaalsContact O-CG 3.28Å; I41-L44 WeakPolarHBondContact O-CG 3.32Å; I41-L44 PolarHBondContact O-N 2.98Å; I41-H45 HydrophobicContact CD1-CB 4.4Å; I41-Y220 VanDerWaalsContact CA-OH 3.23Å; I41-Y220 WeakPolarHBondContact CA-OH 3.5Å
42G93.3Very high89.6Confident2 Ų255.2 Ų55.22%0.02131%0.306CS..BIsolated β-bridgetrans60.4-125.6-178.300000111.5L38 H45L38-G42 PolarHBondContact N-O 3.5Å; L38-G42 WeakPolarHBondContact O-CA 3.39Å; L38-G42 PolarHBondContact O-N 3.02Å; G42-H45 PolarHBondContact O-CE1 2.92Å; G42-H45 PolarHBondContact O-ND1 3.18Å
43N94.5Very high89.5Confident0 Ų055.1 Ų55.10%031%0.305CS..THydrogen-bonded Turntrans-103.512.6-179.7-55.8115000113.4P35 C36 P37 I41 H45 L46 H70P35-N43 HydrophobicContact CG-CB 4.33Å; P35-N43 WeakPolarHBondContact CG-ND2 3.5Å; P35-N43 PolarHBondContact O-ND2 2.85Å; P35-N43 VanDerWaalsContact O-ND2 3.07Å; C36-N43 PolarHBondContact O-ND2 3.13Å; P37-N43 WeakPolarHBondContact CA-ND2 3.25Å; I41-N43 PolarHBondContact O-N 3.15Å; N43-H45 PolarHBondContact O-N 3.19Å; N43-H45 VanDerWaalsContact O-N 3.13Å; N43-L46 HydrophobicContact CB-CD1 4.32Å; N43-L46 WeakPolarHBondContact O-CB 3.38Å; N43-L46 PolarHBondContact O-N 3.24Å; N43-H70 PolarHBondContact N-O 2.78Å; N43-H70 WeakPolarHBondContact OD1-CB 3.26Å; N43-H70 PolarHBondContact OD1-N 3.07Å; N43-H70 PolarHBondContact OD1-ND1 3.31Å
44L91.7Very high89.4Confident39 Ų3956.6 Ų56.620%0.20430%0.303CS..G310 helixtrans-58-29.2-179-71179.2000113.9I41 L46 L47 L71 V219 Y220I41-L44 WeakPolarHBondContact O-CB 3.36Å; I41-L44 VanDerWaalsContact O-CG 3.28Å; I41-L44 WeakPolarHBondContact O-CG 3.32Å; I41-L44 PolarHBondContact O-N 2.98Å; L44-L46 PolarHBondContact O-N 3.25Å; L44-L47 PolarHBondContact O-N 3.44Å; L44-L47 VanDerWaalsContact O-N 3.08Å; L44-L71 HydrophobicContact CD2-CD2 4.1Å; L44-V219 HydrophobicContact CD1-CG1 4.1Å; L44-V219 HydrophobicContact CD2-CG2 4.41Å; L44-Y220 HydrophobicContact CD1-CE2 4.27Å
45H92Very high89.4Confident98 Ų9855.1 Ų55.145%0.45429%0.288SS..G310 helixtrans-65.1-18.2175.965.3-76.5000113.8L38 I41 G42 N43L38-H45 WeakPolarHBondContact CD1-ND1 3.39Å; I41-H45 HydrophobicContact CD1-CB 4.4Å; G42-H45 PolarHBondContact O-CE1 2.92Å; G42-H45 PolarHBondContact O-ND1 3.18Å; N43-H45 PolarHBondContact O-N 3.19Å; N43-H45 VanDerWaalsContact O-N 3.13Å
46L93.3Very high89.5Confident65 Ų6554.8 Ų54.834%0.3429%0.286SS..G310 helixtrans-92.7-7.2175.7-55.5176.7000112.3P35 N43 L44 L59P35-L46 HydrophobicContact CB-CD1 3.58Å; P35-L46 HydrophobicContact CG-CD1 3.84Å; N43-L46 HydrophobicContact CB-CD1 4.32Å; N43-L46 WeakPolarHBondContact O-CB 3.38Å; N43-L46 PolarHBondContact O-N 3.24Å; L44-L46 PolarHBondContact O-N 3.25Å; L46-L59 HydrophobicContact CD1-CD2 4.2Å
47L91.2Very high89.6Confident14 Ų1451.6 Ų51.67%0.07326%0.261CS..  trans-111120.3-173-58.8-179.7000110.8L44 L49 L56 L59 L71L44-L47 PolarHBondContact O-N 3.44Å; L44-L47 VanDerWaalsContact O-N 3.08Å; L47-L49 PolarHBondContact O-N 2.75Å; L47-L56 HydrophobicContact CD2-CD2 3.85Å; L47-L56 HydrophobicContact CD2-CG 4.25Å; L47-L59 HydrophobicContact CD2-CD1 4.06Å; L47-L71 HydrophobicContact CD1-CD2 3.36Å
48R87.5Confident89.7Confident111 Ų11155.7 Ų55.742%0.41928%0.279SS..  trans-74.2111.6167.3-66.3180-78.9170.5-8.2108.5S50 Q51 Q52 S55 E58R48-S50 PolarHBondContact O-N 3.1Å; R48-S50 VanDerWaalsContact O-N 3.1Å; R48-Q51 HydrophobicContact CB-CB 4.34Å; R48-Q51 CarbonylContact O-C 3.53Å; R48-Q51 PolarHBondContact O-N 3.3Å; R48-Q52 WeakPolarHBondContact O-CA 3.32Å; R48-Q52 PolarHBondContact O-N 2.92Å; R48-S55 PolarHBondContact N-OG 3.32Å; R48-E58 IonicContact CZ-OE1 3.93Å; R48-E58 IonicContact NH2-OE1 3.75Å; R48-E58 PolarHBondContact NH2-OE1 3.47Å
49L75.6Confident90Very high99 Ų9952.7 Ų52.752%0.51826%0.263SS..THydrogen-bonded Turntrans-56.3-30.9-176.6-69.2176.5000113.7L47 P212 Q215L47-L49 PolarHBondContact O-N 2.75Å; L49-P212 HydrophobicContact CD1-CB 3.99Å; L49-Q215 HydrophobicContact CD2-CB 4.4Å
50S72Confident90.4Very high85 Ų8551.1 Ų51.159%0.59425%0.254SS*.THydrogen-bonded Turntrans-82.8-13.4177.652.20000114.5R48R48-S50 PolarHBondContact O-N 3.1Å; R48-S50 VanDerWaalsContact O-N 3.1Å
51Q82.5Confident90.9Very high77 Ų7754.6 Ų54.636%0.3627%0.267SS..  trans-145.854.3-175.1-66.7-180-6.800109.2R48 D53 R54 S55R48-Q51 HydrophobicContact CB-CB 4.34Å; R48-Q51 CarbonylContact O-C 3.53Å; R48-Q51 PolarHBondContact O-N 3.3Å; Q51-D53 VanDerWaalsContact C-N 3.27Å; Q51-D53 PolarHBondContact O-N 2.9Å; Q51-R54 HydrophobicContact CB-CB 4.28Å; Q51-R54 HydrophobicContact CB-CG 4.39Å; Q51-R54 PolarHBondContact O-N 3.42Å; Q51-S55 PolarHBondContact O-N 3.06Å; Q51-S55 VanDerWaalsContact O-N 3.16Å; Q51-S55 PolarHBondContact O-OG 2.95Å
52Q89.2Confident91.1Very high45 Ų4560.6 Ų60.621%0.2129%0.286CS..Hα-helixtrans-62.6-40.5-174.9-173-173.427.200110.6R48 R54 S55 L56 H363R48-Q52 WeakPolarHBondContact O-CA 3.32Å; R48-Q52 PolarHBondContact O-N 2.92Å; Q52-R54 PolarHBondContact O-N 3.42Å; Q52-S55 PolarHBondContact O-N 3.01Å; Q52-L56 HydrophobicContact CG-CD1 4.08Å; Q52-L56 HydrophobicContact CG-CG 4.32Å; Q52-L56 WeakPolarHBondContact O-CB 3.13Å; Q52-L56 VanDerWaalsContact O-CG 3.24Å; Q52-L56 WeakPolarHBondContact O-CG 3.45Å; Q52-L56 PolarHBondContact O-N 2.84Å; Q52-H363 PolarHBondContact OE1-NE2 2.92Å
53D91.6Very high91.2Very high5 Ų563 Ų633%0.02730%0.295CS..Hα-helixtrans-56.8-46.8176.963.4-39.8000112.6Q51 L56 M57 P362 L388 T390Q51-D53 VanDerWaalsContact C-N 3.27Å; Q51-D53 PolarHBondContact O-N 2.9Å; D53-L56 PolarHBondContact O-N 3.04Å; D53-M57 WeakPolarHBondContact O-CG 3.33Å; D53-M57 PolarHBondContact O-N 3.44Å; D53-P362 HydrophobicContact CB-CB 3.57Å; D53-P362 HydrophobicContact CB-CG 4.19Å; D53-L388 HydrophobicContact CB-CD1 3.94Å; D53-T390 HydrophobicContact CB-CG2 4.49Å
54R92.8Very high91.3Very high90 Ų9064.3 Ų64.334%0.3431%0.307SS..Hα-helixtrans-64.1-43176.7-62.4-62-179.7164.7-0.2112.1Q51 Q52 L56 M57 E58Q51-R54 HydrophobicContact CB-CB 4.28Å; Q51-R54 HydrophobicContact CB-CG 4.39Å; Q51-R54 PolarHBondContact O-N 3.42Å; Q52-R54 PolarHBondContact O-N 3.42Å; R54-L56 VanDerWaalsContact C-N 3.28Å; R54-L56 PolarHBondContact O-N 3.04Å; R54-M57 WeakPolarHBondContact O-CB 3.32Å; R54-M57 PolarHBondContact O-N 3.33Å; R54-E58 WeakPolarHBondContact O-CG 3.46Å; R54-E58 PolarHBondContact O-N 2.97Å
55S95.1Very high91.5Very high1 Ų165.8 Ų65.81%0.00732%0.32CS..Hα-helixtrans-63.6-36176.5-46.90000111.7R48 Q51 Q52 L59R48-S55 PolarHBondContact N-OG 3.32Å; Q51-S55 PolarHBondContact O-N 3.06Å; Q51-S55 VanDerWaalsContact O-N 3.16Å; Q51-S55 PolarHBondContact O-OG 2.95Å; Q52-S55 PolarHBondContact O-N 3.01Å; S55-L59 WeakPolarHBondContact O-CG 3.28Å; S55-L59 PolarHBondContact O-N 3.01Å; S55-L59 VanDerWaalsContact O-N 3.15Å
56L96.6Very high91.7Very high0 Ų061.9 Ų61.90%030%0.303CS..Hα-helixtrans-71.2-35.5175-70.3176.9000112.4L47 Q52 D53 R54 L59 S60 F67 V69 V78 I386 L388L47-L56 HydrophobicContact CD2-CD2 3.85Å; L47-L56 HydrophobicContact CD2-CG 4.25Å; Q52-L56 HydrophobicContact CG-CD1 4.08Å; Q52-L56 HydrophobicContact CG-CG 4.32Å; Q52-L56 WeakPolarHBondContact O-CB 3.13Å; Q52-L56 VanDerWaalsContact O-CG 3.24Å; Q52-L56 WeakPolarHBondContact O-CG 3.45Å; Q52-L56 PolarHBondContact O-N 2.84Å; D53-L56 PolarHBondContact O-N 3.04Å; R54-L56 VanDerWaalsContact C-N 3.28Å; R54-L56 PolarHBondContact O-N 3.04Å; L56-L59 HydrophobicContact CD2-CD1 4.39Å; L56-L59 PolarHBondContact O-N 3.23Å; L56-S60 PolarHBondContact O-N 2.84Å; L56-F67 HydrophobicContact CB-CZ 4.49Å; L56-F67 HydrophobicContact CD2-CE2 4.27Å; L56-F67 HydrophobicContact CD2-CZ 4.25Å; L56-F67 VanDerWaalsContact O-CZ 3.31Å; L56-F67 WeakPolarHBondContact O-CZ 3.27Å; L56-V69 HydrophobicContact CD2-CG1 4.2Å; L56-V69 HydrophobicContact CD2-CG2 4.43Å; L56-V78 HydrophobicContact CB-CG1 4.44Å; L56-V78 HydrophobicContact CD1-CG1 4.28Å; L56-V78 HydrophobicContact CD2-CG1 4.36Å; L56-V78 HydrophobicContact CD2-CG2 3.95Å; L56-I386 HydrophobicContact CD1-CD1 4.44Å; L56-I386 HydrophobicContact CD1-CG2 4.29Å; L56-L388 HydrophobicContact CB-CD2 3.81Å; L56-L388 HydrophobicContact CD1-CD1 4.45Å
57M95.5Very high91.8Very high38 Ų3858.8 Ų58.819%0.18729%0.286CS..Hα-helixtrans-62.7-46.7172.4-71.6177.86900111.3D53 R54 L59 S60 E61 L388 T390 L394D53-M57 WeakPolarHBondContact O-CG 3.33Å; D53-M57 PolarHBondContact O-N 3.44Å; R54-M57 WeakPolarHBondContact O-CB 3.32Å; R54-M57 PolarHBondContact O-N 3.33Å; M57-L59 VanDerWaalsContact C-N 3.26Å; M57-L59 PolarHBondContact O-N 2.84Å; M57-S60 WeakPolarHBondContact O-CA 3.33Å; M57-S60 WeakPolarHBondContact O-CB 3.37Å; M57-S60 PolarHBondContact O-N 3.23Å; M57-S60 PolarHBondContact O-OG 2.89Å; M57-E61 PolarHBondContact O-N 2.78Å; M57-L388 HydrophobicContact CG-CD2 3.86Å; M57-T390 HydrophobicContact SD-CG2 3.71Å; M57-L394 HydrophobicContact CE-CB 4.3Å; M57-L394 HydrophobicContact CE-CD1 4.28Å; M57-L394 HydrophobicContact SD-CD1 4.41Å
58E95.6Very high92.1Very high99 Ų9958.4 Ų58.446%0.46328%0.284SS..Hα-helixtrans-58-38.8175.5-69.8164.9-158.700111.9R48 R54 S60R48-E58 IonicContact CZ-OE1 3.93Å; R48-E58 IonicContact NH2-OE1 3.75Å; R48-E58 PolarHBondContact NH2-OE1 3.47Å; R54-E58 WeakPolarHBondContact O-CG 3.46Å; R54-E58 PolarHBondContact O-N 2.97Å; E58-S60 VanDerWaalsContact C-N 3.34Å
59L96.7Very high92.5Very high18 Ų1853.1 Ų53.19%0.09426%0.264CS..Hα-helixtrans-68.3-33.7174.6-70.5172.3000112.4P35 L46 L47 S55 L56 M57 E61 R62 Y63 F67 V69P35-L59 HydrophobicContact CG-CD2 4.32Å; L46-L59 HydrophobicContact CD1-CD2 4.2Å; L47-L59 HydrophobicContact CD2-CD1 4.06Å; S55-L59 WeakPolarHBondContact O-CG 3.28Å; S55-L59 PolarHBondContact O-N 3.01Å; S55-L59 VanDerWaalsContact O-N 3.15Å; L56-L59 HydrophobicContact CD2-CD1 4.39Å; L56-L59 PolarHBondContact O-N 3.23Å; M57-L59 VanDerWaalsContact C-N 3.26Å; M57-L59 PolarHBondContact O-N 2.84Å; L59-E61 VanDerWaalsContact C-N 3.29Å; L59-E61 PolarHBondContact O-N 2.81Å; L59-R62 PolarHBondContact O-N 3.28Å; L59-R62 VanDerWaalsContact O-N 3.13Å; L59-Y63 HydrophobicContact CB-CD2 4.45Å; L59-Y63 HydrophobicContact CD2-CD2 4.32Å; L59-Y63 HydrophobicContact CD2-CE2 3.96Å; L59-Y63 WeakPolarHBondContact O-CD2 3.46Å; L59-Y63 PolarHBondContact O-N 2.72Å; L59-F67 HydrophobicContact CB-CD2 4.41Å; L59-F67 HydrophobicContact CB-CE2 3.64Å; L59-F67 HydrophobicContact CB-CZ 3.87Å; L59-F67 HydrophobicContact CD1-CE2 4.22Å; L59-V69 HydrophobicContact CD1-CG1 4.09Å
60S96.5Very high93.4Very high24 Ų2449.9 Ų49.917%0.16825%0.247CC..Hα-helixtrans-65.6-32.3179.279.10000112.9L56 M57 E58 R62 G64 T80L56-S60 PolarHBondContact O-N 2.84Å; M57-S60 WeakPolarHBondContact O-CA 3.33Å; M57-S60 WeakPolarHBondContact O-CB 3.37Å; M57-S60 PolarHBondContact O-N 3.23Å; M57-S60 PolarHBondContact O-OG 2.89Å; E58-S60 VanDerWaalsContact C-N 3.34Å; S60-R62 PolarHBondContact O-N 2.74Å; S60-G64 CarbonylContact O-C 3.58Å; S60-G64 VanDerWaalsContact O-CA 3.24Å; S60-G64 WeakPolarHBondContact O-CA 3.49Å; S60-G64 PolarHBondContact O-N 3.24Å; S60-T80 WeakPolarHBondContact CB-OG1 3.45Å
61E95.1Very high94.4Very high166 Ų16647.1 Ų47.178%0.77623%0.225SC*.Hα-helixtrans-61.5-32.2174-65.8173.9-168.300111.8M57 L59M57-E61 PolarHBondContact O-N 2.78Å; L59-E61 VanDerWaalsContact C-N 3.29Å; L59-E61 PolarHBondContact O-N 2.81Å
62R95.3Very high94.7Very high197 Ų19743.6 Ų43.674%0.74321%0.209SC*.Hα-helixtrans-90.4-37.8-177.6-174.1172-179.5176.51.7113.9L59 S60L59-R62 PolarHBondContact O-N 3.28Å; L59-R62 VanDerWaalsContact O-N 3.13Å; S60-R62 PolarHBondContact O-N 2.74Å
63Y95.4Very high94.6Very high53 Ų5346.3 Ų46.321%0.20823%0.232CC..Hα-helixtrans-107.4-2.8-172.5-63.6-75.9000113.6P33 G34 P35 L59P33-Y63 HydrophobicContact CB-CD1 4.46Å; P33-Y63 WeakPolarHBondContact CG-O 3.37Å; G34-Y63 WeakPolarHBondContact O-CE1 3.48Å; P35-Y63 VanDerWaalsContact CA-OH 3.31Å; P35-Y63 WeakPolarHBondContact CA-OH 3.44Å; P35-Y63 HydrophobicContact CB-CE2 4Å; P35-Y63 HydrophobicContact CG-CE2 4.15Å; L59-Y63 HydrophobicContact CB-CD2 4.45Å; L59-Y63 HydrophobicContact CD2-CD2 4.32Å; L59-Y63 HydrophobicContact CD2-CE2 3.96Å; L59-Y63 WeakPolarHBondContact O-CD2 3.46Å; L59-Y63 PolarHBondContact O-N 2.72Å
64G95.4Very high94.5Very high26 Ų2649.4 Ų49.427%0.26825%0.247SC..  trans84.6-177-17800000113.1S60 V66 F67S60-G64 CarbonylContact O-C 3.58Å; S60-G64 VanDerWaalsContact O-CA 3.24Å; S60-G64 WeakPolarHBondContact O-CA 3.49Å; S60-G64 PolarHBondContact O-N 3.24Å; G64-V66 VanDerWaalsContact C-N 3.28Å; G64-V66 PolarHBondContact O-N 2.9Å; G64-F67 WeakPolarHBondContact O-CD1 3.35Å
65P95.9Very high94.5Very high71 Ų7147.5 Ų47.546%0.46124%0.241SC..SBendtrans-73.7-16.9-166.228.6-36.4000114.6T80 V84P65-T80 VanDerWaalsContact CA-OG1 3.23Å; P65-T80 WeakPolarHBondContact CA-OG1 3.34Å; P65-T80 WeakPolarHBondContact CB-O 3.32Å; P65-T80 PolarHBondContact O-N 3.22Å; P65-T80 PolarHBondContact O-OG1 2.8Å; P65-T80 VanDerWaalsContact O-OG1 3.1Å; P65-V84 HydrophobicContact CB-CG2 3.97Å; P65-V84 HydrophobicContact CG-CG2 4.23Å
66V96.3Very high94.5Very high16 Ų1647.6 Ų47.610%0.09724%0.241CC..EExtended strand (participates in β ladder)trans-125.7113.1175.8-173.40000107.5P32 G64 V77 L79 V84 L374 F377P32-V66 HydrophobicContact CB-CG1 3.83Å; P32-V66 HydrophobicContact CG-CG1 3.68Å; G64-V66 VanDerWaalsContact C-N 3.28Å; G64-V66 PolarHBondContact O-N 2.9Å; V66-V77 HydrophobicContact CG1-CG1 4.08Å; V66-L79 HydrophobicContact CB-CD2 4.39Å; V66-L79 HydrophobicContact CG1-CD2 3.78Å; V66-L79 HydrophobicContact CG2-CD2 4.12Å; V66-V84 HydrophobicContact CG2-CG1 3.45Å; V66-V84 VanDerWaalsContact CG2-CG1 3.45Å; V66-V84 HydrophobicContact CG2-CG2 4.26Å; V66-L374 HydrophobicContact CG1-CD2 4.27Å; V66-F377 HydrophobicContact CB-CD2 4.25Å; V66-F377 HydrophobicContact CB-CE2 3.93Å; V66-F377 HydrophobicContact CG1-CD2 3.83Å; V66-F377 HydrophobicContact CG1-CE2 3.99Å
67F96.6Very high94.5Very high0 Ų047.6 Ų47.60%024%0.241CC..EExtended strand (participates in β ladder)trans-145.2165.1-178.167.3-83000112.3P33 L56 L59 G64 V69 V77 V78 T80P33-F67 CarbonylContact O-C 3.52Å; P33-F67 WeakPolarHBondContact O-CA 3.31Å; P33-F67 WeakPolarHBondContact O-CB 3.46Å; L56-F67 HydrophobicContact CB-CZ 4.49Å; L56-F67 HydrophobicContact CD2-CE2 4.27Å; L56-F67 HydrophobicContact CD2-CZ 4.25Å; L56-F67 VanDerWaalsContact O-CZ 3.31Å; L56-F67 WeakPolarHBondContact O-CZ 3.27Å; L59-F67 HydrophobicContact CB-CD2 4.41Å; L59-F67 HydrophobicContact CB-CE2 3.64Å; L59-F67 HydrophobicContact CB-CZ 3.87Å; L59-F67 HydrophobicContact CD1-CE2 4.22Å; G64-F67 WeakPolarHBondContact O-CD1 3.35Å; F67-V69 HydrophobicContact CD2-CG1 3.82Å; F67-V69 HydrophobicContact CE2-CG1 3.54Å; F67-V77 CarbonylContact O-C 3.46Å; F67-V77 WeakPolarHBondContact O-CA 3.42Å; F67-V78 HydrophobicContact CD1-CB 4.17Å; F67-V78 HydrophobicContact CD2-CB 4.3Å; F67-V78 HydrophobicContact CE1-CB 3.74Å; F67-V78 HydrophobicContact CE1-CG1 3.68Å; F67-V78 HydrophobicContact CE2-CB 3.9Å; F67-V78 HydrophobicContact CE2-CG1 4.3Å; F67-V78 HydrophobicContact CE2-CG2 4.03Å; F67-V78 HydrophobicContact CG-CB 4.43Å; F67-V78 HydrophobicContact CZ-CB 3.59Å; F67-V78 HydrophobicContact CZ-CG1 3.54Å; F67-V78 HydrophobicContact CZ-CG2 4.11Å; F67-V78 PolarHBondContact N-O 2.9Å; F67-V78 VanDerWaalsContact N-O 3.11Å; F67-V78 PolarHBondContact O-N 3.34Å; F67-T80 HydrophobicContact CE1-CG2 3.93Å
68T96.5Very high94.7Very high5 Ų545.8 Ų45.83%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-109.2133.6-176.9-53.30000110.5P32 P33 G34 P35 K75 T76P32-T68 PolarHBondContact O-OG1 3Å; P33-T68 PolarHBondContact O-N 3.3Å; G34-T68 WeakPolarHBondContact CA-O 3.16Å; P35-T68 WeakPolarHBondContact CD-O 3.44Å; T68-K75 HydrophobicContact CG2-CD 4.27Å; T68-K75 HydrophobicContact CG2-CG 3.49Å; T68-K75 VanDerWaalsContact CG2-CG 3.49Å; T68-T76 WeakPolarHBondContact CA-O 3.27Å
69V96.3Very high94.7Very high0 Ų041.1 Ų41.10%021%0.21CC..EExtended strand (participates in β ladder)trans-125.6151.4168-59.10000110.4L56 L59 F67 L71 T76 V78L56-V69 HydrophobicContact CD2-CG1 4.2Å; L56-V69 HydrophobicContact CD2-CG2 4.43Å; L59-V69 HydrophobicContact CD1-CG1 4.09Å; F67-V69 HydrophobicContact CD2-CG1 3.82Å; F67-V69 HydrophobicContact CE2-CG1 3.54Å; V69-L71 HydrophobicContact CG2-CD2 4.31Å; V69-L71 HydrophobicContact CG2-CG 4.46Å; V69-T76 PolarHBondContact N-O 3Å; V69-T76 PolarHBondContact O-N 2.66Å; V69-T76 VanDerWaalsContact O-O 3.05Å; V69-V78 HydrophobicContact CG1-CG2 4.25Å; V69-V78 HydrophobicContact CG2-CG2 3.69Å
70H94.5Very high94.8Very high31 Ų3140.5 Ų40.514%0.14421%0.208CC..EExtended strand (participates in β ladder)trans-107.5111.6176.6-61.174.4000108.9P37 N43 G72 Q74P37-H70 HydrophobicContact CB-CB 3.75Å; P37-H70 HydrophobicContact CG-CB 4.47Å; P37-H70 WeakPolarHBondContact CG-ND1 3.25Å; N43-H70 PolarHBondContact N-O 2.78Å; N43-H70 WeakPolarHBondContact OD1-CB 3.26Å; N43-H70 PolarHBondContact OD1-N 3.07Å; N43-H70 PolarHBondContact OD1-ND1 3.31Å; H70-G72 PolarHBondContact O-N 2.99Å; H70-Q74 WeakPolarHBondContact CA-O 3.36Å
71L92.3Very high94.8Very high27 Ų2740.2 Ų40.214%0.14121%0.209CC..EExtended strand (participates in β ladder)trans-91.394.5173.7-57.1-178.4000107.2L44 L47 V69 C73 Q74 I386L44-L71 HydrophobicContact CD2-CD2 4.1Å; L47-L71 HydrophobicContact CD1-CD2 3.36Å; V69-L71 HydrophobicContact CG2-CD2 4.31Å; V69-L71 HydrophobicContact CG2-CG 4.46Å; L71-C73 PolarHBondContact O-N 3.24Å; L71-Q74 PolarHBondContact N-O 3.23Å; L71-Q74 WeakPolarHBondContact O-CB 3.27Å; L71-Q74 PolarHBondContact O-N 3.32Å; L71-Q74 VanDerWaalsContact O-N 3.09Å; L71-I386 HydrophobicContact CD1-CD1 4.41Å
72G89.6Confident94.9Very high3 Ų333.1 Ų33.13%0.03118%0.175CC..THydrogen-bonded Turntrans61.8-121.7-164.400000110.6L40 H70 Y220L40-G72 CarbonylContact O-C 3.45Å; L40-G72 WeakPolarHBondContact O-CA 3.45Å; H70-G72 PolarHBondContact O-N 2.99Å; G72-Y220 WeakPolarHBondContact CA-OH 3.46Å
73C86.7Confident94.8Very high103 Ų10331.2 Ų31.270%0.69617%0.172SC*.THydrogen-bonded Turntrans-87.1-5.2176.9-57.10000113.6L71L71-C73 PolarHBondContact O-N 3.24Å
74Q90.4Very high94.8Very high70 Ų7029.9 Ų29.933%0.32717%0.17SC..EExtended strand (participates in β ladder)trans-91.8111.3-174-175.7174.9-2000111.4H70 L71 T76 P384H70-Q74 WeakPolarHBondContact CA-O 3.36Å; L71-Q74 PolarHBondContact N-O 3.23Å; L71-Q74 WeakPolarHBondContact O-CB 3.27Å; L71-Q74 PolarHBondContact O-N 3.32Å; L71-Q74 VanDerWaalsContact O-N 3.09Å; Q74-T76 PolarHBondContact O-N 2.88Å; Q74-T76 PolarHBondContact O-OG1 3.26Å; Q74-P384 HydrophobicContact CG-CG 3.97Å
75K92.9Very high94.8Very high50 Ų5028.7 Ų28.722%0.21716%0.157CC..EExtended strand (participates in β ladder)trans-70.6122.4172.5-168.3174.7-170.6176.70110.1D24 W31 T68 P384D24-K75 IonicContact OD2-NZ 3.32Å; W31-K75 HydrophobicContact CE3-CD 4.31Å; W31-K75 HydrophobicContact CH2-CD 4.25Å; W31-K75 HydrophobicContact CZ2-CD 4.5Å; W31-K75 HydrophobicContact CZ3-CD 4.15Å; T68-K75 HydrophobicContact CG2-CD 4.27Å; T68-K75 HydrophobicContact CG2-CG 3.49Å; T68-K75 VanDerWaalsContact CG2-CG 3.49Å; K75-P384 WeakPolarHBondContact O-CD 3.35Å
76T95.4Very high94.6Very high3 Ų328.5 Ų28.52%0.01815%0.149CC..EExtended strand (participates in β ladder)trans-132.6132-173.4-59.30000109.9T68 V69 Q74 P384 I386T68-T76 WeakPolarHBondContact CA-O 3.27Å; V69-T76 PolarHBondContact N-O 3Å; V69-T76 PolarHBondContact O-N 2.66Å; V69-T76 VanDerWaalsContact O-O 3.05Å; Q74-T76 PolarHBondContact O-N 2.88Å; Q74-T76 PolarHBondContact O-OG1 3.26Å; T76-P384 WeakPolarHBondContact CA-O 3.37Å; T76-P384 HydrophobicContact CG2-CB 4.08Å; T76-I386 HydrophobicContact CG2-CD1 3.69Å; T76-I386 HydrophobicContact CG2-CG1 3.7Å
77V96.7Very high94.4Very high0 Ų032.1 Ų32.10%017%0.165CC..EExtended strand (participates in β ladder)trans-89138.4175.1176.90000109.5W31 P32 V66 F67 L79 L379 T383 P384 V385 I386W31-V77 HydrophobicContact CZ3-CG2 4.12Å; P32-V77 HydrophobicContact CG-CG1 4.17Å; P32-V77 HydrophobicContact CG-CG2 4.26Å; V66-V77 HydrophobicContact CG1-CG1 4.08Å; F67-V77 CarbonylContact O-C 3.46Å; F67-V77 WeakPolarHBondContact O-CA 3.42Å; V77-L79 HydrophobicContact CG1-CD2 3.78Å; V77-L379 HydrophobicContact CG1-CD1 4.42Å; V77-L379 HydrophobicContact CG2-CD1 4.38Å; V77-L379 HydrophobicContact CG2-CD2 3.82Å; V77-T383 HydrophobicContact CG2-CG2 3.87Å; V77-P384 PolarHBondContact N-O 2.89Å; V77-V385 HydrophobicContact CB-CG2 4.38Å; V77-V385 CarbonylContact O-C 3.6Å; V77-V385 VanDerWaalsContact O-CA 3.26Å; V77-V385 WeakPolarHBondContact O-CA 3.48Å; V77-I386 PolarHBondContact O-N 2.86Å
78V97.9Very high94.2Very high0 Ų032.1 Ų32.10%017%0.165CC..EExtended strand (participates in β ladder)trans-115.9131177.7-174.30000108.2L56 F67 V69 T80 I386L56-V78 HydrophobicContact CB-CG1 4.44Å; L56-V78 HydrophobicContact CD1-CG1 4.28Å; L56-V78 HydrophobicContact CD2-CG1 4.36Å; L56-V78 HydrophobicContact CD2-CG2 3.95Å; F67-V78 HydrophobicContact CD1-CB 4.17Å; F67-V78 HydrophobicContact CD2-CB 4.3Å; F67-V78 HydrophobicContact CE1-CB 3.74Å; F67-V78 HydrophobicContact CE1-CG1 3.68Å; F67-V78 HydrophobicContact CE2-CB 3.9Å; F67-V78 HydrophobicContact CE2-CG1 4.3Å; F67-V78 HydrophobicContact CE2-CG2 4.03Å; F67-V78 HydrophobicContact CG-CB 4.43Å; F67-V78 HydrophobicContact CZ-CB 3.59Å; F67-V78 HydrophobicContact CZ-CG1 3.54Å; F67-V78 HydrophobicContact CZ-CG2 4.11Å; F67-V78 PolarHBondContact N-O 2.9Å; F67-V78 VanDerWaalsContact N-O 3.11Å; F67-V78 PolarHBondContact O-N 3.34Å; V69-V78 HydrophobicContact CG1-CG2 4.25Å; V69-V78 HydrophobicContact CG2-CG2 3.69Å; V78-T80 HydrophobicContact CG1-CG2 4.07Å; V78-I386 HydrophobicContact CG2-CB 4.35Å; V78-I386 HydrophobicContact CG2-CD1 4.48Å
79L97.4Very high94Very high0 Ų032.3 Ų32.30%017%0.165CC..EExtended strand (participates in β ladder)trans-114.7128.3179.7-51.5-176.7000108.8V66 V77 V84 V85 A88 L96 L374 V385 I386 L388V66-L79 HydrophobicContact CB-CD2 4.39Å; V66-L79 HydrophobicContact CG1-CD2 3.78Å; V66-L79 HydrophobicContact CG2-CD2 4.12Å; V77-L79 HydrophobicContact CG1-CD2 3.78Å; L79-V84 HydrophobicContact CB-CG1 4.07Å; L79-V84 HydrophobicContact CD2-CG1 4.05Å; L79-V84 HydrophobicContact CG-CG1 4.49Å; L79-V85 HydrophobicContact CB-CG2 3.99Å; L79-V85 WeakPolarHBondContact O-CG2 3.34Å; L79-A88 HydrophobicContact CD1-CB 3.21Å; L79-L96 HydrophobicContact CD1-CD1 4.34Å; L79-L374 HydrophobicContact CD1-CD2 4.02Å; L79-L374 HydrophobicContact CD2-CD2 3.41Å; L79-L374 VanDerWaalsContact CD2-CD2 3.41Å; L79-L374 HydrophobicContact CG-CD2 4.38Å; L79-V385 HydrophobicContact CD1-CG1 3.52Å; L79-V385 HydrophobicContact CD2-CG1 4.43Å; L79-V385 HydrophobicContact CG-CG1 3.67Å; L79-I386 PolarHBondContact N-O 2.84Å; L79-L388 WeakPolarHBondContact O-CB 3.42Å; L79-L388 PolarHBondContact O-N 3.08Å
80T97.9Very high93.5Very high6 Ų635.1 Ų35.14%0.03719%0.189CC..  trans-132.3154.2-177.461.70000111.8S60 P65 F67 V78 L388 S391S60-T80 WeakPolarHBondContact CB-OG1 3.45Å; P65-T80 VanDerWaalsContact CA-OG1 3.23Å; P65-T80 WeakPolarHBondContact CA-OG1 3.34Å; P65-T80 WeakPolarHBondContact CB-O 3.32Å; P65-T80 PolarHBondContact O-N 3.22Å; P65-T80 PolarHBondContact O-OG1 2.8Å; P65-T80 VanDerWaalsContact O-OG1 3.1Å; F67-T80 HydrophobicContact CE1-CG2 3.93Å; V78-T80 HydrophobicContact CG1-CG2 4.07Å; T80-L388 HydrophobicContact CG2-CB 4.09Å; T80-L388 HydrophobicContact CG2-CD2 3.79Å; T80-S391 WeakPolarHBondContact CA-OG 3.29Å; T80-S391 WeakPolarHBondContact CB-OG 3.46Å
81G96.7Very high92.9Very high18 Ų1834.5 Ų34.519%0.18619%0.191CC..SBendtrans78.7152.2-176.900000113.4K83 V85 S391G81-K83 PolarHBondContact O-N 3.17Å; G81-V85 WeakPolarHBondContact O-CB 3.36Å; G81-V85 WeakPolarHBondContact O-CG2 3.47Å; G81-V85 PolarHBondContact O-N 3.14Å; G81-V85 VanDerWaalsContact O-N 3.16Å; G81-S391 PolarHBondContact N-OG 2.92Å
82F96.1Very high91.7Very high16 Ų1639.7 Ų39.77%0.0723%0.226CC..Hα-helixtrans-58.3-49.4-171.2167.9-121.6000113.4V84 V85 K86 V392 D395 Q398 E421 A422 L424F82-V84 PolarHBondContact O-N 3.48Å; F82-V85 PolarHBondContact O-N 2.95Å; F82-K86 HydrophobicContact CD2-CB 4.25Å; F82-K86 HydrophobicContact CD2-CD 4.46Å; F82-K86 HydrophobicContact CE1-CD 4.35Å; F82-K86 HydrophobicContact CE2-CB 3.99Å; F82-K86 HydrophobicContact CE2-CD 3.44Å; F82-K86 VanDerWaalsContact CE2-CD 3.44Å; F82-K86 HydrophobicContact CE2-CG 4.29Å; F82-K86 HydrophobicContact CZ-CD 3.37Å; F82-K86 WeakPolarHBondContact O-CB 3.37Å; F82-K86 PolarHBondContact O-N 2.86Å; F82-V392 HydrophobicContact CB-CG1 4.02Å; F82-V392 HydrophobicContact CD2-CG1 3.94Å; F82-V392 HydrophobicContact CG-CG1 4.46Å; F82-D395 WeakPolarHBondContact CB-OD2 3.17Å; F82-D395 PolarHBondContact N-OD2 3.45Å; F82-Q398 HydrophobicContact CB-CG 3.72Å; F82-Q398 HydrophobicContact CD1-CG 4.04Å; F82-Q398 HydrophobicContact CG-CG 4.09Å; F82-E421 HydrophobicContact CE1-CB 4.45Å; F82-E421 HydrophobicContact CE2-CB 4.17Å; F82-E421 WeakPolarHBondContact CE2-O 3.48Å; F82-E421 HydrophobicContact CZ-CB 3.57Å; F82-A422 HydrophobicContact CB-CB 4.32Å; F82-A422 HydrophobicContact CD1-CB 4.38Å; F82-A422 VanDerWaalsContact CD2-CA 3.5Å; F82-A422 HydrophobicContact CD2-CB 3.75Å; F82-A422 VanDerWaalsContact CE2-CA 3.5Å; F82-A422 HydrophobicContact CE2-CB 4.1Å; F82-A422 HydrophobicContact CG-CB 3.89Å; F82-L424 HydrophobicContact CD2-CD1 4.47Å
83K94.1Very high90.3Very high158 Ų15843.3 Ų43.369%0.68726%0.264SS*.Hα-helixtrans-58.9-52.2-173.9-67.2-178.8-179.5176.60111.9G81 E87G81-K83 PolarHBondContact O-N 3.17Å; K83-E87 WeakPolarHBondContact O-CB 3.26Å; K83-E87 PolarHBondContact O-N 3.5Å
84V94.5Very high89.2Confident25 Ų2540.3 Ų40.315%0.15224%0.239CC..Hα-helixtrans-67-44.4-177.1175.10000111.2P65 V66 L79 F82 E87 A88P65-V84 HydrophobicContact CB-CG2 3.97Å; P65-V84 HydrophobicContact CG-CG2 4.23Å; V66-V84 HydrophobicContact CG2-CG1 3.45Å; V66-V84 VanDerWaalsContact CG2-CG1 3.45Å; V66-V84 HydrophobicContact CG2-CG2 4.26Å; L79-V84 HydrophobicContact CB-CG1 4.07Å; L79-V84 HydrophobicContact CD2-CG1 4.05Å; L79-V84 HydrophobicContact CG-CG1 4.49Å; F82-V84 PolarHBondContact O-N 3.48Å; V84-E87 PolarHBondContact O-N 3.1Å; V84-A88 WeakPolarHBondContact O-CB 3.49Å; V84-A88 PolarHBondContact O-N 3.09Å
85V95.5Very high88.2Confident0 Ų040.2 Ų40.20%024%0.239CC..Hα-helixtrans-66.9-41.6-179.8173.30000111.2L79 G81 F82 A88 L89 P387 L389 V392L79-V85 HydrophobicContact CB-CG2 3.99Å; L79-V85 WeakPolarHBondContact O-CG2 3.34Å; G81-V85 WeakPolarHBondContact O-CB 3.36Å; G81-V85 WeakPolarHBondContact O-CG2 3.47Å; G81-V85 PolarHBondContact O-N 3.14Å; G81-V85 VanDerWaalsContact O-N 3.16Å; F82-V85 PolarHBondContact O-N 2.95Å; V85-A88 PolarHBondContact O-N 3.29Å; V85-L89 HydrophobicContact CG1-CD1 3.7Å; V85-L89 HydrophobicContact CG1-CG 4.3Å; V85-L89 WeakPolarHBondContact O-CB 3.3Å; V85-L89 VanDerWaalsContact O-CG 3.28Å; V85-L89 WeakPolarHBondContact O-CG 3.03Å; V85-L89 PolarHBondContact O-N 2.72Å; V85-P387 HydrophobicContact CG1-CB 4.09Å; V85-L389 HydrophobicContact CG1-CD2 4.38Å; V85-V392 HydrophobicContact CB-CG2 3.66Å; V85-V392 HydrophobicContact CG1-CG2 3.82Å; V85-V392 HydrophobicContact CG2-CG2 3.77Å
86K93.4Very high88Confident68 Ų6838.2 Ų38.230%0.29623%0.23SC..Hα-helixtrans-64.2-45.2176.9178.6169.7172.7172.90111.4F82 L89 A90 E421F82-K86 HydrophobicContact CD2-CB 4.25Å; F82-K86 HydrophobicContact CD2-CD 4.46Å; F82-K86 HydrophobicContact CE1-CD 4.35Å; F82-K86 HydrophobicContact CE2-CB 3.99Å; F82-K86 HydrophobicContact CE2-CD 3.44Å; F82-K86 VanDerWaalsContact CE2-CD 3.44Å; F82-K86 HydrophobicContact CE2-CG 4.29Å; F82-K86 HydrophobicContact CZ-CD 3.37Å; F82-K86 WeakPolarHBondContact O-CB 3.37Å; F82-K86 PolarHBondContact O-N 2.86Å; K86-L89 PolarHBondContact O-N 3.41Å; K86-A90 PolarHBondContact O-N 2.96Å; K86-E421 IonicContact NZ-OE1 2.77Å; K86-E421 PolarHBondContact NZ-OE1 3.16Å; K86-E421 IonicContact NZ-OE2 3.68Å; K86-E421 PolarHBondContact NZ-OE2 3.38Å
87E91.4Very high87.5Confident91 Ų9138.5 Ų38.543%0.42523%0.233SC..Hα-helixtrans-58.3-50.9175.4-172-173.5158.100110.8K83 V84 L89 G91 Q94K83-E87 WeakPolarHBondContact O-CB 3.26Å; K83-E87 PolarHBondContact O-N 3.5Å; V84-E87 PolarHBondContact O-N 3.1Å; E87-L89 VanDerWaalsContact C-N 3.33Å; E87-L89 PolarHBondContact O-N 2.94Å; E87-G91 WeakPolarHBondContact O-CA 2.99Å; E87-G91 PolarHBondContact O-N 2.89Å; E87-Q94 PolarHBondContact O-OE1 3.47Å
88A92.1Very high87.3Confident0 Ų040.4 Ų40.40%024%0.244CC..Hα-helixtrans-57.8-40.1179.700000114.5L79 V84 V85 L96 L374L79-A88 HydrophobicContact CD1-CB 3.21Å; V84-A88 WeakPolarHBondContact O-CB 3.49Å; V84-A88 PolarHBondContact O-N 3.09Å; V85-A88 PolarHBondContact O-N 3.29Å; A88-L96 HydrophobicContact CB-CD1 3.83Å; A88-L96 WeakPolarHBondContact O-CD1 3.16Å; A88-L374 HydrophobicContact CB-CD1 4.28Å
89L91.9Very high87.1Confident9 Ų941.6 Ų41.65%0.04725%0.248CC..Hα-helixtrans-89.9-33.8-173.4-68-179.9000113.7V85 K86 E87 L96 R366 P387 A428 G429V85-L89 HydrophobicContact CG1-CD1 3.7Å; V85-L89 HydrophobicContact CG1-CG 4.3Å; V85-L89 WeakPolarHBondContact O-CB 3.3Å; V85-L89 VanDerWaalsContact O-CG 3.28Å; V85-L89 WeakPolarHBondContact O-CG 3.03Å; V85-L89 PolarHBondContact O-N 2.72Å; K86-L89 PolarHBondContact O-N 3.41Å; E87-L89 VanDerWaalsContact C-N 3.33Å; E87-L89 PolarHBondContact O-N 2.94Å; L89-L96 HydrophobicContact CD2-CD1 4.47Å; L89-R366 HydrophobicContact CD2-CG 4.19Å; L89-P387 HydrophobicContact CD1-CB 4.1Å; L89-P387 HydrophobicContact CD2-CB 4.13Å; L89-P387 HydrophobicContact CD2-CG 4.11Å; L89-P387 HydrophobicContact CG-CB 4.27Å; L89-A428 HydrophobicContact CB-CB 3.94Å; L89-A428 HydrophobicContact CD1-CB 4.25Å; L89-G429 VanDerWaalsContact O-CA 3.26Å; L89-G429 WeakPolarHBondContact O-CA 3.41Å
90A87.1Confident86.8Confident60 Ų6042 Ų4250%0.49625%0.251SS..Hα-helixtrans-127.61.9-170.200000114K86 A428K86-A90 PolarHBondContact O-N 2.96Å; A90-A428 HydrophobicContact CB-CB 4.33Å
91G80.3Confident86.4Confident17 Ų1745.6 Ų45.618%0.17527%0.274CS..SBendtrans-68.9155.7-179.800000113.8E87 G93E87-G91 WeakPolarHBondContact O-CA 2.99Å; E87-G91 PolarHBondContact O-N 2.89Å; G91-G93 PolarHBondContact O-N 2.71Å
92P67.3Low86.2Confident136 Ų13646.2 Ų46.288%0.88327%0.273SS*.THydrogen-bonded Turntrans-61.2128.4176.4-17.830.4000111.2Q94P92-Q94 VanDerWaalsContact C-N 3.3Å; P92-Q94 PolarHBondContact O-N 2.83Å
93G61.3Low86.1Confident80 Ų8046 Ų4683%0.82527%0.274SS*.THydrogen-bonded Turntrans76.75.3173.500000116.2G91G91-G93 PolarHBondContact O-N 2.71Å
94Q63.7Low86.1Confident40 Ų4038.5 Ų38.519%0.18724%0.241CC..  trans-97.5117.8-179.4-64.7-169.7400111.6E87 P92 L96 M372E87-Q94 PolarHBondContact O-OE1 3.47Å; P92-Q94 VanDerWaalsContact C-N 3.3Å; P92-Q94 PolarHBondContact O-N 2.83Å; Q94-L96 PolarHBondContact O-N 2.77Å; Q94-M372 HydrophobicContact CB-CE 3.69Å; Q94-M372 HydrophobicContact CB-SD 4Å; Q94-M372 HydrophobicContact CG-CE 3.61Å; Q94-M372 HydrophobicContact CG-SD 4.25Å
95E69.1Low86.1Confident68 Ų6838.3 Ų38.332%0.31824%0.239SC..  trans-101.950.2-170.4-56.1-167.1145.800113.5A97 A369 T370E95-A97 PolarHBondContact O-N 3.03Å; E95-A369 HydrophobicContact CB-CB 3.87Å; E95-A369 WeakPolarHBondContact O-CB 3.44Å; E95-A369 PolarHBondContact O-N 2.85Å; E95-A369 VanDerWaalsContact O-N 3.1Å; E95-T370 WeakPolarHBondContact OE2-CB 3.42Å; E95-T370 WeakPolarHBondContact OE2-CG2 3.31Å; E95-T370 PolarHBondContact OE2-OG1 3.39Å
96L87.7Confident86Confident7 Ų743.5 Ų43.54%0.03726%0.263CS..THydrogen-bonded Turntrans-73.846168.2-66.1-171.9000112L79 A88 L89 Q94 R366 T368 M372 V385L79-L96 HydrophobicContact CD1-CD1 4.34Å; A88-L96 HydrophobicContact CB-CD1 3.83Å; A88-L96 WeakPolarHBondContact O-CD1 3.16Å; L89-L96 HydrophobicContact CD2-CD1 4.47Å; Q94-L96 PolarHBondContact O-N 2.77Å; L96-R366 HydrophobicContact CB-CB 4.04Å; L96-R366 HydrophobicContact CB-CG 4.27Å; L96-R366 HydrophobicContact CD2-CB 4.41Å; L96-R366 PolarHBondContact O-NH1 3.39Å; L96-T368 HydrophobicContact CD2-CG2 3.7Å; L96-M372 HydrophobicContact CD2-SD 4.06Å; L96-M372 HydrophobicContact CG-CE 4.36Å; L96-M372 HydrophobicContact CG-SD 4.07Å; L96-V385 HydrophobicContact CD1-CB 4.42Å; L96-V385 HydrophobicContact CD1-CG1 4.03Å; L96-V385 HydrophobicContact CD2-CB 4.16Å; L96-V385 HydrophobicContact CD2-CG2 3.78Å
97A85.1Confident86Confident10 Ų1044 Ų448%0.08327%0.268CS..THydrogen-bonded Turntrans-94.2-18.3-177.600000112.5E95 W122 R431E95-A97 PolarHBondContact O-N 3.03Å; A97-W122 HydrophobicContact CB-CZ3 4.33Å; A97-R431 PolarHBondContact O-NE 3.09Å; A97-R431 PolarHBondContact O-NH2 2.77Å
98D92.1Very high86.2Confident40 Ų4040 Ų4021%0.21425%0.25CC..BIsolated β-bridgetrans-90.2172.1-179.6-80-4.8000112.1S118 R366 C367 A369D98-S118 WeakPolarHBondContact OD1-CB 3.29Å; D98-R366 CarbonylContact O-C 3.58Å; D98-R366 WeakPolarHBondContact O-CA 2.86Å; D98-C367 HydrophobicContact CB-CB 3.93Å; D98-C367 PolarHBondContact N-O 3.28Å; D98-C367 PolarHBondContact O-N 3.01Å; D98-A369 HydrophobicContact CB-CB 4.41Å
99R93.9Very high86.1Confident25 Ų2540.5 Ų40.59%0.09425%0.252CS..  trans-118.8142-179.8-67.9-71-165.1-150-1.5110.4F115 F116 S118 P365 C367R99-F115 PolarHBondContact NE-O 2.85Å; R99-F115 PolarHBondContact NH2-O 3.24Å; R99-F116 HydrophobicContact CB-CD1 4.2Å; R99-F116 WeakPolarHBondContact CB-O 3.12Å; R99-F116 HydrophobicContact CG-CD1 4.23Å; R99-S118 PolarHBondContact N-OG 3.23Å; R99-P365 VanDerWaalsContact CD-O 3.27Å; R99-P365 WeakPolarHBondContact CD-O 3.26Å; R99-P365 PolarHBondContact NH1-O 3.33Å; R99-C367 VanDerWaalsContact C-CB 3.47Å
100P92.6Very high85.8Confident8 Ų847 Ų475%0.05228%0.276CS..  trans-68.8151.3172.828.5-30.5000109.7I102 P365 P384P100-I102 VanDerWaalsContact C-N 3.28Å; P100-I102 HydrophobicContact CG-CD1 4.36Å; P100-I102 HydrophobicContact CG-CG1 4.15Å; P100-I102 PolarHBondContact O-N 3.47Å; P100-P365 HydrophobicContact CG-CB 3.55Å; P100-P384 HydrophobicContact CB-CB 4.06Å; P100-P384 HydrophobicContact CB-CG 4.37Å
101P88Confident85.5Confident82 Ų8246.1 Ų46.153%0.53227%0.273SS..  trans-73.478.8179.731-35.6000111.1A103P101-A103 PolarHBondContact O-N 3.34Å
102I92.8Very high85.9Confident31 Ų3145.6 Ų45.616%0.15927%0.267CS..  trans-79.8117.2176.3-55.1-177.4000109P100 I104 F105 Q106 F116 N218 P365P100-I102 VanDerWaalsContact C-N 3.28Å; P100-I102 HydrophobicContact CG-CD1 4.36Å; P100-I102 HydrophobicContact CG-CG1 4.15Å; P100-I102 PolarHBondContact O-N 3.47Å; I102-I104 HydrophobicContact CG2-CG2 4.19Å; I102-I104 PolarHBondContact O-N 2.86Å; I102-F105 HydrophobicContact CB-CD2 3.93Å; I102-F105 HydrophobicContact CD1-CD2 4.27Å; I102-F105 HydrophobicContact CG2-CD2 3.72Å; I102-F105 HydrophobicContact CG2-CE2 4.28Å; I102-F105 PolarHBondContact O-N 2.86Å; I102-F105 VanDerWaalsContact O-N 3.1Å; I102-Q106 PolarHBondContact O-N 3.29Å; I102-Q106 VanDerWaalsContact O-N 3.08Å; I102-F116 HydrophobicContact CD1-CD1 4.36Å; I102-F116 HydrophobicContact CD1-CE1 3.53Å; I102-F116 HydrophobicContact CD1-CZ 3.95Å; I102-F116 HydrophobicContact CG1-CE1 4.36Å; I102-N218 HydrophobicContact CG2-CB 4.17Å; I102-N218 WeakPolarHBondContact CG2-OD1 3.45Å; I102-P365 HydrophobicContact CD1-CG 4.36Å
103A93.8Very high87Confident11 Ų1139.1 Ų39.19%0.09123%0.225CC..Hα-helixtrans-52.7-46.3-169.700000114P101 F105 Q106 L107 F217 P221P101-A103 PolarHBondContact O-N 3.34Å; A103-F105 PolarHBondContact O-N 3.41Å; A103-Q106 PolarHBondContact O-N 3.22Å; A103-L107 PolarHBondContact O-N 3.5Å; A103-L107 VanDerWaalsContact O-N 3.15Å; A103-F217 HydrophobicContact CB-CD1 4.45Å; A103-F217 HydrophobicContact CB-CE1 3.83Å; A103-F217 HydrophobicContact CB-CZ 4.04Å; A103-P221 HydrophobicContact CB-CB 4.1Å; A103-P221 HydrophobicContact CB-CG 3.76Å
104I95.4Very high88.5Confident0 Ų036 Ų360%019%0.189CC..Hα-helixtrans-63.5-42-179.4-171.758.3000112.7I102 Q106 L107 I108 L209 L214 F217 N218 H230 V233 L234I102-I104 HydrophobicContact CG2-CG2 4.19Å; I102-I104 PolarHBondContact O-N 2.86Å; I104-Q106 VanDerWaalsContact C-N 3.3Å; I104-Q106 PolarHBondContact O-N 3.5Å; I104-L107 PolarHBondContact O-N 3.09Å; I104-L107 VanDerWaalsContact O-N 3.15Å; I104-I108 HydrophobicContact CD1-CD1 4.26Å; I104-I108 HydrophobicContact CD1-CG1 4.28Å; I104-I108 HydrophobicContact CG1-CD1 3.8Å; I104-I108 HydrophobicContact CG1-CG1 4.25Å; I104-I108 WeakPolarHBondContact O-CG1 3.45Å; I104-I108 PolarHBondContact O-N 3.43Å; I104-L209 HydrophobicContact CG1-CD2 4.4Å; I104-L209 HydrophobicContact CG2-CD2 4.45Å; I104-L214 HydrophobicContact CB-CD1 4.2Å; I104-L214 HydrophobicContact CB-CD2 4.38Å; I104-L214 HydrophobicContact CB-CG 4.44Å; I104-L214 HydrophobicContact CD1-CD1 4.03Å; I104-L214 HydrophobicContact CG1-CD1 3.97Å; I104-L214 HydrophobicContact CG1-CD2 4.06Å; I104-L214 HydrophobicContact CG1-CG 4.42Å; I104-L214 HydrophobicContact CG2-CD2 4.2Å; I104-F217 HydrophobicContact CB-CD1 4.24Å; I104-F217 HydrophobicContact CB-CE1 4.11Å; I104-F217 HydrophobicContact CD1-CE1 4.36Å; I104-N218 WeakPolarHBondContact CB-OD1 3.44Å; I104-N218 WeakPolarHBondContact CG2-OD1 3.36Å; I104-N218 PolarHBondContact N-OD1 3.16Å; I104-H230 HydrophobicContact CD1-CB 4.22Å; I104-V233 HydrophobicContact CD1-CG1 3.58Å; I104-V233 HydrophobicContact CG1-CG1 4.17Å; I104-L234 HydrophobicContact CD1-CD2 3.78Å; I104-L234 HydrophobicContact CD1-CG 4.21Å
105F94.7Very high89.9Confident22 Ų2236.9 Ų36.910%0.09619%0.192CC..Hα-helixtrans-71.6-28.2-178.7-67.8-65.4000112.2I102 A103 I108 Q109 F116 L209 F475I102-F105 HydrophobicContact CB-CD2 3.93Å; I102-F105 HydrophobicContact CD1-CD2 4.27Å; I102-F105 HydrophobicContact CG2-CD2 3.72Å; I102-F105 HydrophobicContact CG2-CE2 4.28Å; I102-F105 PolarHBondContact O-N 2.86Å; I102-F105 VanDerWaalsContact O-N 3.1Å; A103-F105 PolarHBondContact O-N 3.41Å; F105-I108 HydrophobicContact CD1-CD1 4.44Å; F105-Q109 WeakPolarHBondContact O-CB 3.21Å; F105-Q109 PolarHBondContact O-N 2.82Å; F105-F116 HydrophobicContact CB-CB 3.87Å; F105-F116 HydrophobicContact CB-CD1 4.43Å; F105-F116 HydrophobicContact CB-CD2 3.72Å; F105-F116 HydrophobicContact CB-CE2 4.38Å; F105-F116 HydrophobicContact CB-CG 3.76Å; F105-F116 AromaticContact CD1-CD2 3.42Å; F105-F116 HydrophobicContact CD1-CD2 3.42Å; F105-F116 VanDerWaalsContact CD1-CD2 3.42Å; F105-F116 AromaticContact CD1-CE2 3.66Å; F105-F116 HydrophobicContact CD1-CE2 3.66Å; F105-F116 HydrophobicContact CD1-CG 4.32Å; F105-F116 HydrophobicContact CD2-CD1 4.22Å; F105-F116 AromaticContact CD2-CD2 3.48Å; F105-F116 HydrophobicContact CD2-CD2 3.48Å; F105-F116 VanDerWaalsContact CD2-CD2 3.48Å; F105-F116 HydrophobicContact CD2-CE1 4.04Å; F105-F116 AromaticContact CD2-CE2 3.22Å; F105-F116 HydrophobicContact CD2-CE2 3.22Å; F105-F116 AromaticContact CD2-CG 3.98Å; F105-F116 HydrophobicContact CD2-CG 3.98Å; F105-F116 AromaticContact CD2-CZ 3.55Å; F105-F116 HydrophobicContact CD2-CZ 3.55Å; F105-F116 AromaticContact CE1-CD2 3.83Å; F105-F116 HydrophobicContact CE1-CD2 3.83Å; F105-F116 AromaticContact CE1-CE2 3.6Å; F105-F116 HydrophobicContact CE1-CE2 3.6Å; F105-F116 AromaticContact CE2-CD2 3.89Å; F105-F116 HydrophobicContact CE2-CD2 3.89Å; F105-F116 HydrophobicContact CE2-CE1 4.37Å; F105-F116 AromaticContact CE2-CE2 3.17Å; F105-F116 HydrophobicContact CE2-CE2 3.17Å; F105-F116 AromaticContact CE2-CZ 3.48Å; F105-F116 HydrophobicContact CE2-CZ 3.48Å; F105-F116 VanDerWaalsContact CE2-CZ 3.48Å; F105-F116 HydrophobicContact CG-CB 4.36Å; F105-F116 HydrophobicContact CG-CD1 4.42Å; F105-F116 AromaticContact CG-CD2 3.23Å; F105-F116 HydrophobicContact CG-CD2 3.23Å; F105-F116 AromaticContact CG-CE2 3.48Å; F105-F116 HydrophobicContact CG-CE2 3.48Å; F105-F116 VanDerWaalsContact CG-CE2 3.48Å; F105-F116 AromaticContact CG-CG 3.76Å; F105-F116 HydrophobicContact CG-CG 3.76Å; F105-F116 HydrophobicContact CG-CZ 4.22Å; F105-F116 HydrophobicContact CZ-CD2 4.05Å; F105-F116 AromaticContact CZ-CE2 3.37Å; F105-F116 HydrophobicContact CZ-CE2 3.37Å; F105-F116 HydrophobicContact CZ-CZ 4.08Å; F105-L209 HydrophobicContact CE1-CD1 4.47Å; F105-L209 HydrophobicContact CE1-CD2 4.2Å; F105-L209 HydrophobicContact CZ-CD2 4.17Å; F105-F475 HydrophobicContact CE2-CE2 4.38Å; F105-F475 AromaticContact CZ-CE2 3.83Å; F105-F475 HydrophobicContact CZ-CE2 3.83Å; F105-F475 HydrophobicContact CZ-CZ 4.13Å
106Q92.9Very high91Very high108 Ų10834.8 Ų34.851%0.50518%0.182SC..Hα-helixtrans-64.3-40.2169.3-69.7-178-28.500111.9I102 A103 I104 R110I102-Q106 PolarHBondContact O-N 3.29Å; I102-Q106 VanDerWaalsContact O-N 3.08Å; A103-Q106 PolarHBondContact O-N 3.22Å; I104-Q106 VanDerWaalsContact C-N 3.3Å; I104-Q106 PolarHBondContact O-N 3.5Å; Q106-R110 WeakPolarHBondContact O-CA 3.47Å; Q106-R110 PolarHBondContact O-N 2.8Å
107L93.9Very high91.2Very high78 Ų7834.8 Ų34.841%0.40818%0.183SC..Hα-helixtrans-70.5-40.7176.6-66.2179.2000112.5A103 I104 F217 L234A103-L107 PolarHBondContact O-N 3.5Å; A103-L107 VanDerWaalsContact O-N 3.15Å; I104-L107 PolarHBondContact O-N 3.09Å; I104-L107 VanDerWaalsContact O-N 3.15Å; L107-F217 HydrophobicContact CD1-CE1 4.09Å; L107-F217 HydrophobicContact CD1-CZ 3.68Å; L107-L234 HydrophobicContact CB-CD1 4.19Å; L107-L234 HydrophobicContact CB-CD2 4.01Å; L107-L234 HydrophobicContact CD1-CD1 4.06Å
108I93.9Very high91.5Very high8 Ų836.4 Ų36.44%0.04119%0.193CC..Hα-helixtrans-65.5-51.8178-69173.5000110.5I104 F105 L209 L234 I237 R241 L291I104-I108 HydrophobicContact CD1-CD1 4.26Å; I104-I108 HydrophobicContact CD1-CG1 4.28Å; I104-I108 HydrophobicContact CG1-CD1 3.8Å; I104-I108 HydrophobicContact CG1-CG1 4.25Å; I104-I108 WeakPolarHBondContact O-CG1 3.45Å; I104-I108 PolarHBondContact O-N 3.43Å; F105-I108 HydrophobicContact CD1-CD1 4.44Å; I108-L209 HydrophobicContact CD1-CD2 4.31Å; I108-L234 HydrophobicContact CG1-CD2 3.82Å; I108-I237 HydrophobicContact CD1-CD1 4.31Å; I108-I237 HydrophobicContact CD1-CG1 4.02Å; I108-I237 HydrophobicContact CG1-CG1 4.1Å; I108-I237 HydrophobicContact CG1-CG2 4.37Å; I108-I237 HydrophobicContact CG2-CD1 4.27Å; I108-I237 HydrophobicContact CG2-CG1 4.48Å; I108-I237 HydrophobicContact CG2-CG2 4.06Å; I108-R241 PolarHBondContact O-NH2 3.39Å; I108-L291 HydrophobicContact CG2-CD2 3.93Å
109Q90Very high91.3Very high11 Ų1135.9 Ų35.95%0.05120%0.198CC..Hα-helixtrans-97.1-12.3-169.9-64-61.615.800114.8F105 G111 G112 A288 D292F105-Q109 WeakPolarHBondContact O-CB 3.21Å; F105-Q109 PolarHBondContact O-N 2.82Å; Q109-G111 PolarHBondContact O-N 2.98Å; Q109-G111 VanDerWaalsContact O-N 3.07Å; Q109-G112 WeakPolarHBondContact CB-O 3.45Å; Q109-G112 WeakPolarHBondContact O-CA 3.36Å; Q109-G112 PolarHBondContact O-N 3.34Å; Q109-A288 PolarHBondContact NE2-O 3.05Å; Q109-D292 PolarHBondContact NE2-OD1 3.45Å
110R86.6Confident91Very high146 Ų14637.1 Ų37.155%0.55121%0.213SC*.THydrogen-bonded Turntrans51.434.7180-53.1-178.2-173.11782.8112.7Q106 G112 E238Q106-R110 WeakPolarHBondContact O-CA 3.47Å; Q106-R110 PolarHBondContact O-N 2.8Å; R110-G112 VanDerWaalsContact C-N 3.33Å; R110-E238 IonicContact NH2-OE1 3.84Å
111G81.1Confident90.7Very high41 Ų4141.8 Ų41.842%0.42323%0.23SC..THydrogen-bonded Turntrans78.47.1-177.100000115.5Q109 R121Q109-G111 PolarHBondContact O-N 2.98Å; Q109-G111 VanDerWaalsContact O-N 3.07Å; G111-R121 VanDerWaalsContact O-CD 3.29Å; G111-R121 WeakPolarHBondContact O-CD 3.38Å; G111-R121 PolarHBondContact O-NH1 2.85Å
112G87.6Confident90.9Very high5 Ų538.5 Ų38.55%0.05221%0.207CC..  trans-98.3-168.6173.700000114.2Q109 R110 S117 N285Q109-G112 WeakPolarHBondContact CB-O 3.45Å; Q109-G112 WeakPolarHBondContact O-CA 3.36Å; Q109-G112 PolarHBondContact O-N 3.34Å; R110-G112 VanDerWaalsContact C-N 3.33Å; G112-S117 WeakPolarHBondContact O-CB 3.37Å; G112-N285 WeakPolarHBondContact CA-OD1 3.39Å
113G91.4Very high90.8Very high0 Ų043.8 Ų43.80%023%0.225CC..SBendtrans79.6-166179.200000113.9S117 N285 D292G113-S117 WeakPolarHBondContact O-CB 3.35Å; G113-S117 PolarHBondContact O-OG 2.98Å; G113-N285 PolarHBondContact N-OD1 2.96Å; G113-D292 WeakPolarHBondContact CA-OD2 3.39Å
114I93.4Very high90.6Very high14 Ų1444.1 Ų44.17%0.07223%0.228CC..SBendtrans-120.4-29.3-172.8-53.9151.4000111.1W122 A125 R126 T129 C289 D292 M293 R431I114-W122 VanDerWaalsContact O-CD1 3.24Å; I114-W122 PolarHBondContact O-NE1 2.56Å; I114-A125 HydrophobicContact CG1-CB 3.96Å; I114-R126 HydrophobicContact CG2-CB 4.29Å; I114-T129 HydrophobicContact CD1-CG2 4.05Å; I114-T129 WeakPolarHBondContact CD1-OG1 3.19Å; I114-C289 HydrophobicContact CD1-CB 4.17Å; I114-D292 PolarHBondContact N-OD2 2.99Å; I114-M293 HydrophobicContact CD1-CG 4.4Å; I114-M293 HydrophobicContact CD1-SD 4.31Å; I114-R431 PolarHBondContact O-NH1 3.41Å
115F92.8Very high90.5Very high59 Ų5944.1 Ų44.126%0.25923%0.228SC..SBendtrans-76.9-54.4-170.3-167.4-127.3000112.4R99 D292 V364 R431 F475R99-F115 PolarHBondContact NE-O 2.85Å; R99-F115 PolarHBondContact NH2-O 3.24Å; F115-D292 WeakPolarHBondContact CB-OD1 3.23Å; F115-D292 WeakPolarHBondContact CB-OD2 3.33Å; F115-D292 PolarHBondContact N-OD2 3.5Å; F115-V364 HydrophobicContact CE2-CG1 4.28Å; F115-V364 HydrophobicContact CZ-CG1 4.11Å; F115-R431 PolarHBondContact O-NH1 2.98Å; F115-F475 HydrophobicContact CE1-CE1 4.3Å; F115-F475 HydrophobicContact CE1-CZ 4.08Å; F115-F475 HydrophobicContact CZ-CE1 4.35Å; F115-F475 HydrophobicContact CZ-CZ 4.31Å
116F92.1Very high90.4Very high25 Ų2545 Ų4511%0.1123%0.231CC..SBendtrans-111.8-2.9-177.5-84.1-74.6000116R99 I102 F105R99-F116 HydrophobicContact CB-CD1 4.2Å; R99-F116 WeakPolarHBondContact CB-O 3.12Å; R99-F116 HydrophobicContact CG-CD1 4.23Å; I102-F116 HydrophobicContact CD1-CD1 4.36Å; I102-F116 HydrophobicContact CD1-CE1 3.53Å; I102-F116 HydrophobicContact CD1-CZ 3.95Å; I102-F116 HydrophobicContact CG1-CE1 4.36Å; F105-F116 HydrophobicContact CB-CB 3.87Å; F105-F116 HydrophobicContact CB-CD1 4.43Å; F105-F116 HydrophobicContact CB-CD2 3.72Å; F105-F116 HydrophobicContact CB-CE2 4.38Å; F105-F116 HydrophobicContact CB-CG 3.76Å; F105-F116 AromaticContact CD1-CD2 3.42Å; F105-F116 HydrophobicContact CD1-CD2 3.42Å; F105-F116 VanDerWaalsContact CD1-CD2 3.42Å; F105-F116 AromaticContact CD1-CE2 3.66Å; F105-F116 HydrophobicContact CD1-CE2 3.66Å; F105-F116 HydrophobicContact CD1-CG 4.32Å; F105-F116 HydrophobicContact CD2-CD1 4.22Å; F105-F116 AromaticContact CD2-CD2 3.48Å; F105-F116 HydrophobicContact CD2-CD2 3.48Å; F105-F116 VanDerWaalsContact CD2-CD2 3.48Å; F105-F116 HydrophobicContact CD2-CE1 4.04Å; F105-F116 AromaticContact CD2-CE2 3.22Å; F105-F116 HydrophobicContact CD2-CE2 3.22Å; F105-F116 AromaticContact CD2-CG 3.98Å; F105-F116 HydrophobicContact CD2-CG 3.98Å; F105-F116 AromaticContact CD2-CZ 3.55Å; F105-F116 HydrophobicContact CD2-CZ 3.55Å; F105-F116 AromaticContact CE1-CD2 3.83Å; F105-F116 HydrophobicContact CE1-CD2 3.83Å; F105-F116 AromaticContact CE1-CE2 3.6Å; F105-F116 HydrophobicContact CE1-CE2 3.6Å; F105-F116 AromaticContact CE2-CD2 3.89Å; F105-F116 HydrophobicContact CE2-CD2 3.89Å; F105-F116 HydrophobicContact CE2-CE1 4.37Å; F105-F116 AromaticContact CE2-CE2 3.17Å; F105-F116 HydrophobicContact CE2-CE2 3.17Å; F105-F116 AromaticContact CE2-CZ 3.48Å; F105-F116 HydrophobicContact CE2-CZ 3.48Å; F105-F116 VanDerWaalsContact CE2-CZ 3.48Å; F105-F116 HydrophobicContact CG-CB 4.36Å; F105-F116 HydrophobicContact CG-CD1 4.42Å; F105-F116 AromaticContact CG-CD2 3.23Å; F105-F116 HydrophobicContact CG-CD2 3.23Å; F105-F116 AromaticContact CG-CE2 3.48Å; F105-F116 HydrophobicContact CG-CE2 3.48Å; F105-F116 VanDerWaalsContact CG-CE2 3.48Å; F105-F116 AromaticContact CG-CG 3.76Å; F105-F116 HydrophobicContact CG-CG 3.76Å; F105-F116 HydrophobicContact CG-CZ 4.22Å; F105-F116 HydrophobicContact CZ-CD2 4.05Å; F105-F116 AromaticContact CZ-CE2 3.37Å; F105-F116 HydrophobicContact CZ-CE2 3.37Å; F105-F116 HydrophobicContact CZ-CZ 4.08Å
117S91.2Very high90.4Very high7 Ų745.6 Ų45.65%0.04923%0.233CC..  trans-67.2161.417159.60000111.9G112 G113 W122 R431G112-S117 WeakPolarHBondContact O-CB 3.37Å; G113-S117 WeakPolarHBondContact O-CB 3.35Å; G113-S117 PolarHBondContact O-OG 2.98Å; S117-W122 WeakPolarHBondContact OG-CB 3.44Å; S117-R431 VanDerWaalsContact O-CZ 3.24Å; S117-R431 PolarHBondContact O-NH1 3.31Å; S117-R431 PolarHBondContact O-NH2 3.2Å
118S90.8Very high90.4Very high43 Ų4342.4 Ų42.430%0.30122%0.216SC..  trans-140172.7177.2-630000111.6D98 R99D98-S118 WeakPolarHBondContact OD1-CB 3.29Å; R99-S118 PolarHBondContact N-OG 3.23Å
119G88.8Confident90.4Very high30 Ų3042 Ų4231%0.30921%0.214SC..Hα-helixtrans71.7-150.8176.300000115.5W122 R123G119-W122 PolarHBondContact O-N 3.45Å; G119-R123 PolarHBondContact O-N 3.32Å; G119-R123 VanDerWaalsContact O-N 3.16Å
120A87.1Confident90.6Very high51 Ų5144.9 Ų44.942%0.42123%0.232SC..Hα-helixtrans-62.3-44.6-17600000112.7W122 R123 A124A120-W122 VanDerWaalsContact C-N 3.35Å; A120-W122 PolarHBondContact O-N 2.94Å; A120-R123 PolarHBondContact O-N 3.23Å; A120-R123 VanDerWaalsContact O-N 3.11Å; A120-A124 PolarHBondContact O-N 3.29Å
121R86.9Confident90.9Very high106 Ų10645.3 Ų45.340%0.423%0.234SC..Hα-helixtrans-58.4-44.6178.8-171.8-179.7-68.2162.7-6112.5G111 A124 A125 L280G111-R121 VanDerWaalsContact O-CD 3.29Å; G111-R121 WeakPolarHBondContact O-CD 3.38Å; G111-R121 PolarHBondContact O-NH1 2.85Å; R121-A124 PolarHBondContact O-N 2.63Å; R121-A125 WeakPolarHBondContact O-CB 3.27Å; R121-A125 PolarHBondContact O-N 3.07Å; R121-L280 HydrophobicContact CB-CD2 4.1Å; R121-L280 HydrophobicContact CG-CD2 4.2Å
122W91.6Very high91.4Very high13 Ų1343.6 Ų43.65%0.04922%0.216CC..Hα-helixtrans-62.4-45174.6167.768.2000112.3A97 I114 S117 G119 A120 A124 A125 R126 R430 R431A97-W122 HydrophobicContact CB-CZ3 4.33Å; I114-W122 VanDerWaalsContact O-CD1 3.24Å; I114-W122 PolarHBondContact O-NE1 2.56Å; S117-W122 WeakPolarHBondContact OG-CB 3.44Å; G119-W122 PolarHBondContact O-N 3.45Å; A120-W122 VanDerWaalsContact C-N 3.35Å; A120-W122 PolarHBondContact O-N 2.94Å; W122-A124 VanDerWaalsContact C-N 3.35Å; W122-A124 PolarHBondContact O-N 2.85Å; W122-A125 PolarHBondContact O-N 3.25Å; W122-R126 VanDerWaalsContact O-CB 3.23Å; W122-R126 WeakPolarHBondContact O-CB 3.4Å; W122-R126 PolarHBondContact O-N 2.88Å; W122-R430 HydrophobicContact CH2-CB 4.2Å; W122-R431 VanDerWaalsContact CD2-CZ 3.45Å; W122-R431 HydrophobicContact CH2-CG 4.04Å; W122-R431 HydrophobicContact CZ2-CG 3.64Å; W122-R431 VanDerWaalsContact NE1-CZ 3.29Å; W122-R431 VanDerWaalsContact NE1-NH1 3.1Å
123R91.3Very high91.6Very high141 Ų14143.7 Ų43.753%0.53222%0.215SC..Hα-helixtrans-59.5-46.8179.4-75.7-175.4-74162.8-2.8111.1G119 A120 Q127G119-R123 PolarHBondContact O-N 3.32Å; G119-R123 VanDerWaalsContact O-N 3.16Å; A120-R123 PolarHBondContact O-N 3.23Å; A120-R123 VanDerWaalsContact O-N 3.11Å; R123-Q127 WeakPolarHBondContact O-CB 3.47Å; R123-Q127 VanDerWaalsContact O-CG 3.23Å; R123-Q127 WeakPolarHBondContact O-CG 3.19Å; R123-Q127 PolarHBondContact O-N 2.97Å
124A90.1Very high91.6Very high18 Ų1848.1 Ų48.115%0.14924%0.236CC..Hα-helixtrans-61.9-52.5177.400000111.7A120 R121 W122 R126 Q127 F128 L280 F281A120-A124 PolarHBondContact O-N 3.29Å; R121-A124 PolarHBondContact O-N 2.63Å; W122-A124 VanDerWaalsContact C-N 3.35Å; W122-A124 PolarHBondContact O-N 2.85Å; A124-R126 PolarHBondContact O-N 3.31Å; A124-Q127 PolarHBondContact O-N 3.25Å; A124-F128 VanDerWaalsContact O-CB 3.31Å; A124-F128 WeakPolarHBondContact O-CB 3.17Å; A124-F128 PolarHBondContact O-N 3.38Å; A124-L280 HydrophobicContact CB-CD1 3.67Å; A124-F281 HydrophobicContact CB-CE2 4.39Å; A124-F281 HydrophobicContact CB-CZ 4.24Å
125A91.5Very high91.4Very high1 Ų151.2 Ų51.21%0.00826%0.259CS..Hα-helixtrans-58.1-46.917900000111.5I114 R121 W122 F128 T129I114-A125 HydrophobicContact CG1-CB 3.96Å; R121-A125 WeakPolarHBondContact O-CB 3.27Å; R121-A125 PolarHBondContact O-N 3.07Å; W122-A125 PolarHBondContact O-N 3.25Å; A125-F128 PolarHBondContact O-N 3.13Å; A125-T129 PolarHBondContact O-N 3.15Å; A125-T129 PolarHBondContact O-OG1 2.78Å
126R93.9Very high91.3Very high40 Ų4049.3 Ų49.315%0.15125%0.251CS..Hα-helixtrans-62.8-47178.1179.4175175.687.8-3.9112.5I114 W122 A124 F128 T129 V130 R430 V432I114-R126 HydrophobicContact CG2-CB 4.29Å; W122-R126 VanDerWaalsContact O-CB 3.23Å; W122-R126 WeakPolarHBondContact O-CB 3.4Å; W122-R126 PolarHBondContact O-N 2.88Å; A124-R126 PolarHBondContact O-N 3.31Å; R126-F128 VanDerWaalsContact C-N 3.31Å; R126-T129 PolarHBondContact O-N 2.86Å; R126-V130 HydrophobicContact CG-CG2 4.42Å; R126-V130 WeakPolarHBondContact O-CG2 3.5Å; R126-V130 PolarHBondContact O-N 3.21Å; R126-R430 PolarHBondContact NE-O 3.35Å; R126-R430 PolarHBondContact NH2-O 3.16Å; R126-V432 PolarHBondContact NH1-O 3.43Å; R126-V432 PolarHBondContact NH2-O 2.96Å
127Q93Very high90.9Very high121 Ų12148.4 Ų48.457%0.56525%0.249SC*.Hα-helixtrans-62.8-41.4179.2-76.9174.5-9.600111.3R123 A124 R131R123-Q127 WeakPolarHBondContact O-CB 3.47Å; R123-Q127 VanDerWaalsContact O-CG 3.23Å; R123-Q127 WeakPolarHBondContact O-CG 3.19Å; R123-Q127 PolarHBondContact O-N 2.97Å; A124-Q127 PolarHBondContact O-N 3.25Å; Q127-R131 WeakPolarHBondContact O-CB 3.15Å; Q127-R131 VanDerWaalsContact O-CG 3.32Å; Q127-R131 WeakPolarHBondContact O-CG 3.2Å; Q127-R131 PolarHBondContact O-N 3.29Å; Q127-R131 VanDerWaalsContact O-N 3.11Å; Q127-R131 PolarHBondContact O-NE 2.76Å
128F92.4Very high90.5Very high11 Ų1148.4 Ų48.45%0.04825%0.248CC..Hα-helixtrans-58.1-51.9171.7169.8-90.7000111.1A124 A125 R126 V130 R131 A132 Y264 A267 L268 Q271 F281A124-F128 VanDerWaalsContact O-CB 3.31Å; A124-F128 WeakPolarHBondContact O-CB 3.17Å; A124-F128 PolarHBondContact O-N 3.38Å; A125-F128 PolarHBondContact O-N 3.13Å; R126-F128 VanDerWaalsContact C-N 3.31Å; F128-V130 PolarHBondContact O-N 2.84Å; F128-R131 PolarHBondContact O-N 3.41Å; F128-R131 VanDerWaalsContact O-N 3.13Å; F128-A132 HydrophobicContact CE1-CB 4.3Å; F128-A132 HydrophobicContact CZ-CB 4.26Å; F128-A132 WeakPolarHBondContact O-CB 3.31Å; F128-A132 PolarHBondContact O-N 3.13Å; F128-Y264 HydrophobicContact CD1-CE2 4.21Å; F128-Y264 HydrophobicContact CE1-CD2 4.42Å; F128-Y264 AromaticContact CE1-CE2 3.62Å; F128-Y264 HydrophobicContact CE1-CE2 3.62Å; F128-Y264 AromaticContact CE1-CZ 3.87Å; F128-A267 HydrophobicContact CE2-CB 4.15Å; F128-A267 WeakPolarHBondContact CE2-O 3.15Å; F128-A267 VanDerWaalsContact CZ-C 3.47Å; F128-A267 HydrophobicContact CZ-CB 3.65Å; F128-L268 HydrophobicContact CD1-CD2 3.99Å; F128-L268 HydrophobicContact CE1-CD2 3.3Å; F128-L268 HydrophobicContact CE1-CG 3.64Å; F128-L268 HydrophobicContact CZ-CB 4.38Å; F128-L268 HydrophobicContact CZ-CD2 3.75Å; F128-L268 HydrophobicContact CZ-CG 3.87Å; F128-Q271 HydrophobicContact CD2-CB 4.15Å; F128-Q271 HydrophobicContact CD2-CG 3.95Å; F128-Q271 HydrophobicContact CE2-CB 3.68Å; F128-Q271 HydrophobicContact CE2-CG 4.02Å; F128-Q271 HydrophobicContact CZ-CB 4.43Å; F128-F281 HydrophobicContact CB-CE1 3.69Å; F128-F281 HydrophobicContact CB-CZ 3.65Å; F128-F281 AromaticContact CD1-CE1 3.98Å; F128-F281 HydrophobicContact CD1-CE1 3.98Å; F128-F281 HydrophobicContact CD2-CE1 4.22Å; F128-F281 HydrophobicContact CD2-CZ 4.43Å; F128-F281 AromaticContact CG-CE1 3.67Å; F128-F281 HydrophobicContact CG-CE1 3.67Å; F128-F281 HydrophobicContact CG-CZ 4.02Å
129T94.3Very high89.6Confident0 Ų047.7 Ų47.70%025%0.248CC..Hα-helixtrans-61.1-43.3-178.4-53.30000113I114 A125 R126 R131 A132 L133 Y264 M293 V434I114-T129 HydrophobicContact CD1-CG2 4.05Å; I114-T129 WeakPolarHBondContact CD1-OG1 3.19Å; A125-T129 PolarHBondContact O-N 3.15Å; A125-T129 PolarHBondContact O-OG1 2.78Å; R126-T129 PolarHBondContact O-N 2.86Å; T129-R131 VanDerWaalsContact C-N 3.32Å; T129-R131 PolarHBondContact O-N 3.06Å; T129-A132 PolarHBondContact O-N 3.11Å; T129-L133 HydrophobicContact CG2-CD1 3.98Å; T129-L133 HydrophobicContact CG2-CG 4.22Å; T129-L133 WeakPolarHBondContact O-CB 3.41Å; T129-L133 VanDerWaalsContact O-CG 3.3Å; T129-L133 WeakPolarHBondContact O-CG 3.4Å; T129-L133 PolarHBondContact O-N 2.61Å; T129-Y264 HydrophobicContact CG2-CE2 3.84Å; T129-Y264 PolarHBondContact OG1-OH 2.82Å; T129-M293 HydrophobicContact CG2-CE 4.25Å; T129-M293 HydrophobicContact CG2-SD 3.77Å; T129-V434 HydrophobicContact CG2-CG2 3.88Å
130V94Very high89.2Confident71 Ų7152.6 Ų52.643%0.4326%0.257SS..Hα-helixtrans-59.7-44.6176.11710000110.8R126 F128 H134 V434R126-V130 HydrophobicContact CG-CG2 4.42Å; R126-V130 WeakPolarHBondContact O-CG2 3.5Å; R126-V130 PolarHBondContact O-N 3.21Å; F128-V130 PolarHBondContact O-N 2.84Å; V130-H134 WeakPolarHBondContact O-CB 3.48Å; V130-H134 PolarHBondContact O-N 2.87Å; V130-V434 HydrophobicContact CG2-CG2 3.71Å
131R92.8Very high88.7Confident154 Ų15454.3 Ų54.358%0.58126%0.256SS*.Hα-helixtrans-64.2-46177.8-73.6-175.6-66.7176.12.8111.8Q127 F128 T129 H134 S135Q127-R131 WeakPolarHBondContact O-CB 3.15Å; Q127-R131 VanDerWaalsContact O-CG 3.32Å; Q127-R131 WeakPolarHBondContact O-CG 3.2Å; Q127-R131 PolarHBondContact O-N 3.29Å; Q127-R131 VanDerWaalsContact O-N 3.11Å; Q127-R131 PolarHBondContact O-NE 2.76Å; F128-R131 PolarHBondContact O-N 3.41Å; F128-R131 VanDerWaalsContact O-N 3.13Å; T129-R131 VanDerWaalsContact C-N 3.32Å; T129-R131 PolarHBondContact O-N 3.06Å; R131-H134 PolarHBondContact O-N 2.73Å; R131-S135 PolarHBondContact O-N 3.11Å; R131-S135 PolarHBondContact O-OG 3.36Å
132A92.6Very high88.5Confident5 Ų553 Ų534%0.04126%0.261CS..Hα-helixtrans-62.9-46.2179.500000112F128 T129 H134 S135 L136 Y264 A267F128-A132 HydrophobicContact CE1-CB 4.3Å; F128-A132 HydrophobicContact CZ-CB 4.26Å; F128-A132 WeakPolarHBondContact O-CB 3.31Å; F128-A132 PolarHBondContact O-N 3.13Å; T129-A132 PolarHBondContact O-N 3.11Å; A132-H134 VanDerWaalsContact C-N 3.31Å; A132-H134 PolarHBondContact O-N 3.37Å; A132-S135 WeakPolarHBondContact CA-OG 3.24Å; A132-S135 PolarHBondContact O-N 3.29Å; A132-S135 PolarHBondContact O-OG 3.37Å; A132-L136 WeakPolarHBondContact O-CB 3.29Å; A132-L136 WeakPolarHBondContact O-CG 3.47Å; A132-L136 PolarHBondContact O-N 3.04Å; A132-Y264 HydrophobicContact CB-CD2 3.83Å; A132-Y264 HydrophobicContact CB-CE2 4.01Å; A132-A267 HydrophobicContact CB-CB 3.98Å
133L92.6Very high88.3Confident8 Ų852.4 Ų52.44%0.04226%0.259CS..Hα-helixtrans-62.6-40.1176.3-69178.3000111.7T129 L136 G137 V138 M293 V434T129-L133 HydrophobicContact CG2-CD1 3.98Å; T129-L133 HydrophobicContact CG2-CG 4.22Å; T129-L133 WeakPolarHBondContact O-CB 3.41Å; T129-L133 VanDerWaalsContact O-CG 3.3Å; T129-L133 WeakPolarHBondContact O-CG 3.4Å; T129-L133 PolarHBondContact O-N 2.61Å; L133-L136 PolarHBondContact O-N 3.38Å; L133-G137 PolarHBondContact O-N 2.76Å; L133-V138 HydrophobicContact CB-CB 4.34Å; L133-V138 HydrophobicContact CB-CG2 3.96Å; L133-V138 HydrophobicContact CD2-CG2 4.15Å; L133-V138 VanDerWaalsContact O-CB 3.27Å; L133-V138 WeakPolarHBondContact O-CB 3.43Å; L133-V138 VanDerWaalsContact O-CG2 3.26Å; L133-V138 WeakPolarHBondContact O-CG2 2.96Å; L133-V138 PolarHBondContact O-N 3.28Å; L133-V138 VanDerWaalsContact O-N 3.07Å; L133-M293 HydrophobicContact CD1-CE 4.04Å; L133-M293 HydrophobicContact CD2-CE 4.1Å; L133-V434 HydrophobicContact CD1-CG2 4.16Å
134H90.8Very high88.2Confident93 Ų9345.7 Ų45.743%0.43123%0.234SC..Hα-helixtrans-64.8-42.2176-179.9-96.5000112.3V130 R131 A132 L136 G137 R140V130-H134 WeakPolarHBondContact O-CB 3.48Å; V130-H134 PolarHBondContact O-N 2.87Å; R131-H134 PolarHBondContact O-N 2.73Å; A132-H134 VanDerWaalsContact C-N 3.31Å; A132-H134 PolarHBondContact O-N 3.37Å; H134-L136 VanDerWaalsContact C-N 3.32Å; H134-L136 PolarHBondContact O-N 3.13Å; H134-G137 PolarHBondContact O-N 3.42Å; H134-G137 VanDerWaalsContact O-N 3.13Å; H134-R140 PolarHBondContact CE1-NH2 3Å; H134-R140 PolarHBondContact NE2-NH2 3.42Å; H134-R140 VanDerWaalsContact NE2-NH2 3.1Å
135S89.4Confident88.3Confident79 Ų7949.5 Ų49.555%0.55225%0.252SS*.Hα-helixtrans-67.4-32177.563.90000112.7R131 A132 G137R131-S135 PolarHBondContact O-N 3.11Å; R131-S135 PolarHBondContact O-OG 3.36Å; A132-S135 WeakPolarHBondContact CA-OG 3.24Å; A132-S135 PolarHBondContact O-N 3.29Å; A132-S135 PolarHBondContact O-OG 3.37Å; S135-G137 PolarHBondContact O-N 3.26Å
136L89.3Confident88.4Confident19 Ų1952.4 Ų52.410%0.09926%0.264CS..THydrogen-bonded Turntrans-72.8-0.6173.7-66.5169.7000113.6A132 L133 H134 V143 V261 C262A132-L136 WeakPolarHBondContact O-CB 3.29Å; A132-L136 WeakPolarHBondContact O-CG 3.47Å; A132-L136 PolarHBondContact O-N 3.04Å; L133-L136 PolarHBondContact O-N 3.38Å; H134-L136 VanDerWaalsContact C-N 3.32Å; H134-L136 PolarHBondContact O-N 3.13Å; L136-V143 WeakPolarHBondContact O-CG2 3.31Å; L136-V261 HydrophobicContact CD2-CG1 4.32Å; L136-C262 VanDerWaalsContact CD2-C 3.45Å
137G84.6Confident88.5Confident6 Ų650.5 Ų50.56%0.06226%0.257CS..THydrogen-bonded Turntrans8520.5175.400000114.4L133 H134 S135 G139 R140 V143L133-G137 PolarHBondContact O-N 2.76Å; H134-G137 PolarHBondContact O-N 3.42Å; H134-G137 VanDerWaalsContact O-N 3.13Å; S135-G137 PolarHBondContact O-N 3.26Å; G137-G139 PolarHBondContact O-N 3.28Å; G137-G139 VanDerWaalsContact O-N 3.16Å; G137-R140 WeakPolarHBondContact O-CB 3.48Å; G137-R140 PolarHBondContact O-N 2.96Å; G137-V143 VanDerWaalsContact C-CG2 3.43Å; G137-V143 VanDerWaalsContact O-CG2 3.24Å; G137-V143 WeakPolarHBondContact O-CG2 3.13Å
138V83.8Confident88.7Confident7 Ų745.2 Ų45.24%0.04223%0.233CC..THydrogen-bonded Turntrans-56.3123.9174.7170.50000110.2L133 L182 R437 L438L133-V138 HydrophobicContact CB-CB 4.34Å; L133-V138 HydrophobicContact CB-CG2 3.96Å; L133-V138 HydrophobicContact CD2-CG2 4.15Å; L133-V138 VanDerWaalsContact O-CB 3.27Å; L133-V138 WeakPolarHBondContact O-CB 3.43Å; L133-V138 VanDerWaalsContact O-CG2 3.26Å; L133-V138 WeakPolarHBondContact O-CG2 2.96Å; L133-V138 PolarHBondContact O-N 3.28Å; L133-V138 VanDerWaalsContact O-N 3.07Å; V138-L182 HydrophobicContact CG2-CD1 4.44Å; V138-R437 HydrophobicContact CG1-CB 4.08Å; V138-R437 PolarHBondContact O-NH1 3.06Å; V138-L438 HydrophobicContact CG1-CB 3.83Å
139G71Confident88.8Confident28 Ų2849.6 Ų49.629%0.28925%0.253SS..THydrogen-bonded Turntrans73.333.1-174.100000113.9G137 R437G137-G139 PolarHBondContact O-N 3.28Å; G137-G139 VanDerWaalsContact O-N 3.16Å; G139-R437 PolarHBondContact O-NH2 3.17Å; G139-R437 VanDerWaalsContact O-NH2 3.15Å
140R80.4Confident89Confident132 Ų13249.8 Ų49.850%0.49825%0.254SS..SBendtrans-135.4165.3169.3-55-176.7-175.3-176.5-0.9109.6H134 G137 P142 V143 A144H134-R140 PolarHBondContact CE1-NH2 3Å; H134-R140 PolarHBondContact NE2-NH2 3.42Å; H134-R140 VanDerWaalsContact NE2-NH2 3.1Å; G137-R140 WeakPolarHBondContact O-CB 3.48Å; G137-R140 PolarHBondContact O-N 2.96Å; R140-P142 VanDerWaalsContact C-CD 3.41Å; R140-V143 PolarHBondContact O-N 3.29Å; R140-A144 PolarHBondContact O-N 2.97Å
141E77.2Confident89.1Confident88 Ų8847 Ų4741%0.41124%0.237SC..Hα-helixtrans-43.6-47179.9-65.7-69.4174.900115.5V143 A144 D145E141-V143 PolarHBondContact O-N 3.33Å; E141-V143 VanDerWaalsContact O-N 3.09Å; E141-A144 WeakPolarHBondContact O-CA 3.26Å; E141-A144 VanDerWaalsContact O-CB 3.3Å; E141-A144 WeakPolarHBondContact O-CB 3.45Å; E141-A144 PolarHBondContact O-N 3.44Å; E141-D145 PolarHBondContact O-N 2.91Å
142P81.8Confident89.3Confident77 Ų7747 Ų4750%0.524%0.241SC..Hα-helixtrans-64.1-25.8-174.2-23.235.4000114.5R140 K146R140-P142 VanDerWaalsContact C-CD 3.41Å; P142-K146 WeakPolarHBondContact O-CG 3.43Å
143V86.9Confident89.5Confident2 Ų248.5 Ų48.51%0.01225%0.251CS..Hα-helixtrans-82.6-34.9174.2175.10000110.3L136 G137 R140 E141 D145 K146 I147 L182 L438L136-V143 WeakPolarHBondContact O-CG2 3.31Å; G137-V143 VanDerWaalsContact C-CG2 3.43Å; G137-V143 VanDerWaalsContact O-CG2 3.24Å; G137-V143 WeakPolarHBondContact O-CG2 3.13Å; R140-V143 PolarHBondContact O-N 3.29Å; E141-V143 PolarHBondContact O-N 3.33Å; E141-V143 VanDerWaalsContact O-N 3.09Å; V143-D145 VanDerWaalsContact C-N 3.32Å; V143-D145 PolarHBondContact O-N 2.84Å; V143-K146 WeakPolarHBondContact O-CB 3.26Å; V143-K146 PolarHBondContact O-N 3.45Å; V143-I147 HydrophobicContact CG1-CD1 4.06Å; V143-I147 HydrophobicContact CG1-CG1 4.45Å; V143-I147 VanDerWaalsContact O-CG1 3.26Å; V143-I147 WeakPolarHBondContact O-CG1 3.49Å; V143-I147 PolarHBondContact O-N 3.46Å; V143-L182 HydrophobicContact CG1-CD2 4.47Å; V143-L182 HydrophobicContact CG2-CD2 4Å; V143-L438 HydrophobicContact CG1-CD1 3.88Å
144A90.4Very high89.8Confident0 Ų048.1 Ų48.10%025%0.249CC..Hα-helixtrans-59-42.9173.800000111.8R140 E141 K146 I147 L148 P338 L445R140-A144 PolarHBondContact O-N 2.97Å; E141-A144 WeakPolarHBondContact O-CA 3.26Å; E141-A144 VanDerWaalsContact O-CB 3.3Å; E141-A144 WeakPolarHBondContact O-CB 3.45Å; E141-A144 PolarHBondContact O-N 3.44Å; A144-K146 VanDerWaalsContact C-N 3.31Å; A144-K146 PolarHBondContact O-N 3.19Å; A144-I147 WeakPolarHBondContact O-CB 3.25Å; A144-I147 PolarHBondContact O-N 3.38Å; A144-I147 VanDerWaalsContact O-N 3.07Å; A144-L148 WeakPolarHBondContact O-CG 3.36Å; A144-L148 PolarHBondContact O-N 3.23Å; A144-P338 HydrophobicContact CB-CG 3.39Å; A144-L445 HydrophobicContact CB-CD1 3.95Å
145D91.9Very high90.1Very high97 Ų9744.1 Ų44.152%0.51923%0.231SC..Hα-helixtrans-58-41.9175.4-76.3-31.1000112.7E141 V143 I147 L148 Q149E141-D145 PolarHBondContact O-N 2.91Å; V143-D145 VanDerWaalsContact C-N 3.32Å; V143-D145 PolarHBondContact O-N 2.84Å; D145-I147 VanDerWaalsContact C-N 3.34Å; D145-L148 PolarHBondContact O-N 2.96Å; D145-Q149 WeakPolarHBondContact O-CB 3.29Å; D145-Q149 PolarHBondContact O-N 3.46Å
146K93.8Very high90.5Very high62 Ų6242.3 Ų42.327%0.2723%0.225SC..Hα-helixtrans-64.3-40.1175.8-67.1174.4177.6-171.90111.4P142 V143 A144 Q149 E150 T181P142-K146 WeakPolarHBondContact O-CG 3.43Å; V143-K146 WeakPolarHBondContact O-CB 3.26Å; V143-K146 PolarHBondContact O-N 3.45Å; A144-K146 VanDerWaalsContact C-N 3.31Å; A144-K146 PolarHBondContact O-N 3.19Å; K146-Q149 PolarHBondContact O-N 3.45Å; K146-E150 PolarHBondContact O-N 3.33Å; K146-T181 HydrophobicContact CD-CG2 3.88Å; K146-T181 HydrophobicContact CG-CG2 4.49Å
147I96.3Very high90.8Very high0 Ų044.8 Ų44.80%024%0.236CC..Hα-helixtrans-64.6-44.8176.4-61.4164.5000110.3V143 A144 D145 Q149 E150 L151 I178 T441 E442 L445 L446V143-I147 HydrophobicContact CG1-CD1 4.06Å; V143-I147 HydrophobicContact CG1-CG1 4.45Å; V143-I147 VanDerWaalsContact O-CG1 3.26Å; V143-I147 WeakPolarHBondContact O-CG1 3.49Å; V143-I147 PolarHBondContact O-N 3.46Å; A144-I147 WeakPolarHBondContact O-CB 3.25Å; A144-I147 PolarHBondContact O-N 3.38Å; A144-I147 VanDerWaalsContact O-N 3.07Å; D145-I147 VanDerWaalsContact C-N 3.34Å; I147-Q149 VanDerWaalsContact C-N 3.32Å; I147-Q149 PolarHBondContact O-N 3.49Å; I147-E150 PolarHBondContact O-N 2.88Å; I147-L151 PolarHBondContact O-N 3.45Å; I147-I178 HydrophobicContact CB-CD1 4.15Å; I147-I178 HydrophobicContact CG1-CD1 3.95Å; I147-I178 HydrophobicContact CG1-CG1 4.4Å; I147-I178 HydrophobicContact CG1-CG2 3.96Å; I147-I178 HydrophobicContact CG2-CD1 3.95Å; I147-T441 HydrophobicContact CD1-CG2 3.71Å; I147-E442 HydrophobicContact CD1-CG 3.85Å; I147-E442 HydrophobicContact CG1-CG 4.06Å; I147-L445 HydrophobicContact CB-CD1 3.88Å; I147-L445 HydrophobicContact CD1-CD1 3.99Å; I147-L445 HydrophobicContact CG2-CB 3.65Å; I147-L445 HydrophobicContact CG2-CD1 3.78Å; I147-L445 HydrophobicContact CG2-CG 4.35Å; I147-L446 HydrophobicContact CG2-CD2 4.23Å; I147-L446 HydrophobicContact CG2-CG 4.11Å
148L95.6Very high91.5Very high11 Ų1144.6 Ų44.66%0.05823%0.234CC..Hα-helixtrans-67.4-32.3177.7-68.2177.2000112.6A144 D145 L151 K152 P335 P336 L445A144-L148 WeakPolarHBondContact O-CG 3.36Å; A144-L148 PolarHBondContact O-N 3.23Å; D145-L148 PolarHBondContact O-N 2.96Å; L148-L151 HydrophobicContact CD2-CD2 4.04Å; L148-L151 PolarHBondContact O-N 3.3Å; L148-K152 WeakPolarHBondContact O-CG 3.36Å; L148-K152 PolarHBondContact O-N 3.11Å; L148-K152 VanDerWaalsContact O-N 3.11Å; L148-P335 HydrophobicContact CD2-CB 4.35Å; L148-P336 HydrophobicContact CD2-CG 4.35Å; L148-P336 WeakPolarHBondContact CD2-O 3.18Å; L148-L445 HydrophobicContact CD2-CB 4.42Å; L148-L445 HydrophobicContact CD2-CD2 4.38Å; L148-L445 HydrophobicContact CG-CD1 4.48Å
149Q95.8Very high92.1Very high103 Ų10347.2 Ų47.248%0.48125%0.248SC..Hα-helixtrans-62.8-47.2170-175.8178.78.400111D145 K146 I147 L151 K152 C153D145-Q149 WeakPolarHBondContact O-CB 3.29Å; D145-Q149 PolarHBondContact O-N 3.46Å; K146-Q149 PolarHBondContact O-N 3.45Å; I147-Q149 VanDerWaalsContact C-N 3.32Å; I147-Q149 PolarHBondContact O-N 3.49Å; Q149-L151 VanDerWaalsContact C-N 3.33Å; Q149-L151 PolarHBondContact O-N 2.93Å; Q149-K152 WeakPolarHBondContact O-CB 3.33Å; Q149-K152 PolarHBondContact O-N 3.32Å; Q149-C153 PolarHBondContact O-N 2.97Å; Q149-C153 VanDerWaalsContact O-N 3.13Å; Q149-C153 PolarHBondContact O-SG 3.47Å
150E97.4Very high93.4Very high4 Ų448.6 Ų48.62%0.01926%0.262CS..Hα-helixtrans-64.5-36.7175.6-76.4-48.8123.300112.8K146 I147 K152 C153 L154 A174 N177 I178 R187 Y190K146-E150 PolarHBondContact O-N 3.33Å; I147-E150 PolarHBondContact O-N 2.88Å; E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 3.42Å; E150-C153 WeakPolarHBondContact O-CB 3.48Å; E150-C153 PolarHBondContact O-N 2.93Å; E150-C153 VanDerWaalsContact O-N 3.15Å; E150-L154 WeakPolarHBondContact O-CB 3.23Å; E150-L154 PolarHBondContact O-N 2.93Å; E150-A174 HydrophobicContact CB-CB 4.14Å; E150-N177 HydrophobicContact CG-CB 4.3Å; E150-N177 PolarHBondContact OE1-ND2 2.97Å; E150-N177 PolarHBondContact OE2-ND2 2.68Å; E150-I178 HydrophobicContact CB-CD1 4.13Å; E150-I178 HydrophobicContact CB-CG1 3.91Å; E150-I178 HydrophobicContact CG-CD1 4.37Å; E150-I178 HydrophobicContact CG-CG1 3.6Å; E150-R187 WeakPolarHBondContact OE1-CD 3.5Å; E150-R187 VanDerWaalsContact OE1-CG 3.24Å; E150-R187 WeakPolarHBondContact OE1-CG 3.4Å; E150-R187 IonicContact OE1-CZ 3.78Å; E150-R187 IonicContact OE1-NE 2.71Å; E150-R187 PolarHBondContact OE1-NE 2.98Å; E150-R187 IonicContact OE1-NH2 3.66Å; E150-R187 IonicContact OE2-CZ 3.39Å; E150-R187 IonicContact OE2-NE 2.68Å; E150-R187 IonicContact OE2-NH2 3.26Å; E150-R187 PolarHBondContact OE2-NH2 3.48Å; E150-Y190 WeakPolarHBondContact OE2-CE1 3.43Å; E150-Y190 PolarHBondContact OE2-OH 2.96Å
151L97.5Very high94.2Very high13 Ų1346.1 Ų46.17%0.06825%0.253CS..Hα-helixtrans-57.1-42.7173.2174.763.1000111.5I147 L148 Q149 L154 S155 L446 L450I147-L151 PolarHBondContact O-N 3.45Å; L148-L151 HydrophobicContact CD2-CD2 4.04Å; L148-L151 PolarHBondContact O-N 3.3Å; Q149-L151 VanDerWaalsContact C-N 3.33Å; Q149-L151 PolarHBondContact O-N 2.93Å; L151-L154 PolarHBondContact O-N 2.86Å; L151-S155 VanDerWaalsContact O-CB 3.26Å; L151-S155 WeakPolarHBondContact O-CB 3.49Å; L151-S155 PolarHBondContact O-N 2.75Å; L151-S155 PolarHBondContact O-OG 2.8Å; L151-L446 HydrophobicContact CB-CD2 4.03Å; L151-L446 HydrophobicContact CD1-CD2 4.35Å; L151-L450 HydrophobicContact CD1-CD2 4.43Å; L151-L450 HydrophobicContact CD1-CG 4.22Å
152K96.6Very high95.1Very high152 Ų15252.5 Ų52.566%0.66127%0.273SS*.Hα-helixtrans-62.8-43.7175.9-70.4169.8-174.9174.40111.1L148 Q149 E150 S155 G156L148-K152 WeakPolarHBondContact O-CG 3.36Å; L148-K152 PolarHBondContact O-N 3.11Å; L148-K152 VanDerWaalsContact O-N 3.11Å; Q149-K152 WeakPolarHBondContact O-CB 3.33Å; Q149-K152 PolarHBondContact O-N 3.32Å; E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 3.42Å; K152-S155 PolarHBondContact O-N 3.43Å; K152-G156 PolarHBondContact O-N 3.49Å
153C97.4Very high95.7Very high38 Ų3849.7 Ų49.726%0.25726%0.259SS..Hα-helixtrans-63.4-46177.4-66.60000112.3Q149 E150 G156 Q157 R187 Y190Q149-C153 PolarHBondContact O-N 2.97Å; Q149-C153 VanDerWaalsContact O-N 3.13Å; Q149-C153 PolarHBondContact O-SG 3.47Å; E150-C153 WeakPolarHBondContact O-CB 3.48Å; E150-C153 PolarHBondContact O-N 2.93Å; E150-C153 VanDerWaalsContact O-N 3.15Å; C153-G156 PolarHBondContact O-N 2.98Å; C153-Q157 PolarHBondContact O-N 3.04Å; C153-Q157 VanDerWaalsContact O-N 3.14Å; C153-R187 PolarHBondContact SG-NH2 3.31Å; C153-Y190 HydrophobicContact CB-CE2 4.24Å
154L97.9Very high96.2Very high0 Ų055.5 Ų55.50%029%0.286CS..Hα-helixtrans-61.5-45.3176178.861.4000111.3E150 L151 G156 Q157 L158 L170 L171 A174 L450E150-L154 WeakPolarHBondContact O-CB 3.23Å; E150-L154 PolarHBondContact O-N 2.93Å; L151-L154 PolarHBondContact O-N 2.86Å; L154-G156 VanDerWaalsContact C-N 3.28Å; L154-G156 PolarHBondContact O-N 2.65Å; L154-Q157 WeakPolarHBondContact O-CB 3.33Å; L154-Q157 PolarHBondContact O-N 3.2Å; L154-L158 HydrophobicContact CG-CD1 4.37Å; L154-L158 WeakPolarHBondContact O-CG 3.34Å; L154-L158 PolarHBondContact O-N 3.37Å; L154-L170 HydrophobicContact CD1-CG 4.3Å; L154-L171 HydrophobicContact CD1-CD2 4.46Å; L154-L171 HydrophobicContact CD2-CD2 4.17Å; L154-A174 HydrophobicContact CB-CB 4.15Å; L154-A174 HydrophobicContact CD2-CB 3.88Å; L154-L450 HydrophobicContact CD2-CD1 4.37Å; L154-L450 HydrophobicContact CD2-CD2 4.19Å
155S97.2Very high96.6Very high9 Ų957.8 Ų57.86%0.06330%0.301CS..Hα-helixtrans-58.5-41.2175.7-620000111.5L151 K152 Q157 L158 D159 Y454L151-S155 VanDerWaalsContact O-CB 3.26Å; L151-S155 WeakPolarHBondContact O-CB 3.49Å; L151-S155 PolarHBondContact O-N 2.75Å; L151-S155 PolarHBondContact O-OG 2.8Å; K152-S155 PolarHBondContact O-N 3.43Å; S155-Q157 VanDerWaalsContact C-N 3.3Å; S155-Q157 PolarHBondContact O-N 2.86Å; S155-L158 PolarHBondContact O-N 2.94Å; S155-D159 WeakPolarHBondContact O-CB 3.47Å; S155-D159 PolarHBondContact O-N 3.34Å; S155-Y454 WeakPolarHBondContact CA-OH 3.29Å; S155-Y454 WeakPolarHBondContact CB-OH 3.21Å; S155-Y454 PolarHBondContact O-OH 3.12Å
156G97Very high96.9Very high41 Ų4153.2 Ų53.242%0.42328%0.276SS..Hα-helixtrans-61.4-35174.300000113.4K152 C153 L154 G160K152-G156 PolarHBondContact O-N 3.49Å; C153-G156 PolarHBondContact O-N 2.98Å; L154-G156 VanDerWaalsContact C-N 3.28Å; L154-G156 PolarHBondContact O-N 2.65Å; G156-G160 PolarHBondContact O-N 3.19Å
157Q97.1Very high97.1Very high70 Ų7053.3 Ų53.333%0.32728%0.283SS..Hα-helixtrans-67.8-45.2172.2-63.6-56.2-55.700111.6C153 L154 S155 D159 G160 Y161 L170 Y190C153-Q157 PolarHBondContact O-N 3.04Å; C153-Q157 VanDerWaalsContact O-N 3.14Å; L154-Q157 WeakPolarHBondContact O-CB 3.33Å; L154-Q157 PolarHBondContact O-N 3.2Å; S155-Q157 VanDerWaalsContact C-N 3.3Å; S155-Q157 PolarHBondContact O-N 2.86Å; Q157-D159 PolarHBondContact O-N 3.25Å; Q157-G160 WeakPolarHBondContact O-CA 3.49Å; Q157-G160 PolarHBondContact O-N 3.23Å; Q157-G160 VanDerWaalsContact O-N 3.11Å; Q157-Y161 WeakPolarHBondContact O-CD2 3.4Å; Q157-L170 HydrophobicContact CB-CD1 4.46Å; Q157-L170 HydrophobicContact CB-CD2 4.27Å; Q157-Y190 HydrophobicContact CG-CD2 3.56Å; Q157-Y190 HydrophobicContact CG-CE2 3.79Å
158L97.9Very high97.1Very high2 Ų253.4 Ų53.41%0.0128%0.284CS..Hα-helixtrans-63-40.9179.3-66.7175.6000112L154 S155 G160 Y161 F166 L170 L171 L450 Y454 A486L154-L158 HydrophobicContact CG-CD1 4.37Å; L154-L158 WeakPolarHBondContact O-CG 3.34Å; L154-L158 PolarHBondContact O-N 3.37Å; S155-L158 PolarHBondContact O-N 2.94Å; L158-G160 PolarHBondContact O-N 2.86Å; L158-Y161 WeakPolarHBondContact O-CB 3.23Å; L158-Y161 PolarHBondContact O-N 3.49Å; L158-F166 HydrophobicContact CD2-CD1 3.8Å; L158-F166 HydrophobicContact CD2-CD2 3.73Å; L158-F166 HydrophobicContact CD2-CE1 3.88Å; L158-F166 HydrophobicContact CD2-CE2 3.81Å; L158-F166 HydrophobicContact CD2-CG 3.75Å; L158-F166 HydrophobicContact CD2-CZ 3.88Å; L158-L170 HydrophobicContact CD2-CD2 4.01Å; L158-L171 HydrophobicContact CD1-CD2 4.45Å; L158-L450 HydrophobicContact CD1-CD2 3.48Å; L158-L450 VanDerWaalsContact CD1-CD2 3.48Å; L158-Y454 HydrophobicContact CB-CE1 4.49Å; L158-Y454 HydrophobicContact CB-CE2 4.39Å; L158-Y454 HydrophobicContact CD1-CD2 4.31Å; L158-Y454 HydrophobicContact CD1-CE2 3.95Å; L158-A486 HydrophobicContact CB-CB 4.33Å; L158-A486 HydrophobicContact CD1-CB 4.47Å; L158-A486 HydrophobicContact CD2-CB 4.36Å
159D97.4Very high97.1Very high63 Ų6355.7 Ų55.734%0.33730%0.304SS..Hα-helixtrans-59.3-33.4174.3-68.1-20.6000111.8S155 Q157 Y161 R162 K453 Y454S155-D159 WeakPolarHBondContact O-CB 3.47Å; S155-D159 PolarHBondContact O-N 3.34Å; Q157-D159 PolarHBondContact O-N 3.25Å; D159-Y161 PolarHBondContact O-N 3.38Å; D159-R162 PolarHBondContact O-N 3Å; D159-K453 VanDerWaalsContact CG-NZ 3.31Å; D159-K453 IonicContact OD1-NZ 3.6Å; D159-K453 PolarHBondContact OD1-NZ 3.27Å; D159-K453 IonicContact OD2-NZ 2.72Å; D159-K453 PolarHBondContact OD2-NZ 2.97Å; D159-Y454 VanDerWaalsContact CG-OH 3.27Å; D159-Y454 VanDerWaalsContact OD1-CE1 3.3Å; D159-Y454 WeakPolarHBondContact OD1-CE1 3.3Å; D159-Y454 PolarHBondContact OD1-OH 3.25Å
160G97Very high97.2Very high57 Ų5751.2 Ų51.259%0.58828%0.283SS*.Hα-helixtrans-60-27.4175.200000113.9G156 Q157 L158 R162G156-G160 PolarHBondContact O-N 3.19Å; Q157-G160 WeakPolarHBondContact O-CA 3.49Å; Q157-G160 PolarHBondContact O-N 3.23Å; Q157-G160 VanDerWaalsContact O-N 3.11Å; L158-G160 PolarHBondContact O-N 2.86Å; G160-R162 VanDerWaalsContact C-N 3.31Å
161Y97.6Very high97.2Very high79 Ų7951 Ų5131%0.3128%0.283SS..THydrogen-bonded Turntrans-77.3-14.5174.6-75.1-97.7000112.9Q157 L158 D159 G163 Q164 P165 F166 P167 L170Q157-Y161 WeakPolarHBondContact O-CD2 3.4Å; L158-Y161 WeakPolarHBondContact O-CB 3.23Å; L158-Y161 PolarHBondContact O-N 3.49Å; D159-Y161 PolarHBondContact O-N 3.38Å; Y161-G163 VanDerWaalsContact C-N 3.26Å; Y161-G163 PolarHBondContact O-N 3.07Å; Y161-Q164 WeakPolarHBondContact O-CB 3.34Å; Y161-Q164 VanDerWaalsContact O-CG 3.29Å; Y161-Q164 WeakPolarHBondContact O-CG 3.44Å; Y161-Q164 PolarHBondContact O-N 3.03Å; Y161-P165 VanDerWaalsContact CD1-O 3.29Å; Y161-P165 WeakPolarHBondContact CD1-O 3.33Å; Y161-P165 WeakPolarHBondContact CE1-O 3.36Å; Y161-F166 HydrophobicContact CD1-CB 3.61Å; Y161-F166 HydrophobicContact CD2-CB 3.81Å; Y161-F166 HydrophobicContact CE1-CB 3.6Å; Y161-F166 HydrophobicContact CE2-CB 3.82Å; Y161-F166 HydrophobicContact CG-CB 3.73Å; Y161-P167 WeakPolarHBondContact OH-CD 3.35Å; Y161-L170 HydrophobicContact CD2-CD2 4.47Å; Y161-L170 HydrophobicContact CE2-CD2 3.72Å
162R96.5Very high97.1Very high222 Ų22250.6 Ų50.684%0.83828%0.281SS*.THydrogen-bonded Turntrans51.442.4177.5-55179.5-178.7-176.9-0.3113.2D159 G160 Q164D159-R162 PolarHBondContact O-N 3Å; G160-R162 VanDerWaalsContact C-N 3.31Å; R162-Q164 PolarHBondContact O-N 3Å
163G95.4Very high97.2Very high19 Ų1946.7 Ų46.720%0.19626%0.262CS..THydrogen-bonded Turntrans76.9-2-176.600000115.4Y161 C485 A486Y161-G163 VanDerWaalsContact C-N 3.26Å; Y161-G163 PolarHBondContact O-N 3.07Å; G163-C485 WeakPolarHBondContact O-CB 3.49Å; G163-C485 PolarHBondContact O-SG 3.4Å; G163-A486 WeakPolarHBondContact CA-O 3.27Å
164Q97.5Very high97.2Very high123 Ų12344.9 Ų44.958%0.57525%0.25SC*.SBendtrans-71.9161.2172.5-61.1-59.9-44.700111.7Y161 R162 F166Y161-Q164 WeakPolarHBondContact O-CB 3.34Å; Y161-Q164 VanDerWaalsContact O-CG 3.29Å; Y161-Q164 WeakPolarHBondContact O-CG 3.44Å; Y161-Q164 PolarHBondContact O-N 3.03Å; R162-Q164 PolarHBondContact O-N 3Å; Q164-F166 PolarHBondContact O-N 3.26Å
165P98.1Very high97.1Very high49 Ų4944.9 Ų44.932%0.31825%0.25SC..EExtended strand (participates in β ladder)trans-59127.2179.1-24.834.5000112.6Y161 P459 A483 L484Y161-P165 VanDerWaalsContact CD1-O 3.29Å; Y161-P165 WeakPolarHBondContact CD1-O 3.33Å; Y161-P165 WeakPolarHBondContact CE1-O 3.36Å; P165-P459 HydrophobicContact CB-CB 4.42Å; P165-P459 HydrophobicContact CB-CG 4.46Å; P165-P459 HydrophobicContact CG-CB 4.03Å; P165-A483 HydrophobicContact CB-CB 3.99Å; P165-L484 CarbonylContact C-O 3.51Å; P165-L484 VanDerWaalsContact CA-O 3.31Å; P165-L484 WeakPolarHBondContact CA-O 3.36Å
166F98.2Very high97.1Very high1 Ų144.6 Ų44.60%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-111.414717173.7-90.1000110.4L158 Y161 Q164 L170 L171 A483 L484 A486L158-F166 HydrophobicContact CD2-CD1 3.8Å; L158-F166 HydrophobicContact CD2-CD2 3.73Å; L158-F166 HydrophobicContact CD2-CE1 3.88Å; L158-F166 HydrophobicContact CD2-CE2 3.81Å; L158-F166 HydrophobicContact CD2-CG 3.75Å; L158-F166 HydrophobicContact CD2-CZ 3.88Å; Y161-F166 HydrophobicContact CD1-CB 3.61Å; Y161-F166 HydrophobicContact CD2-CB 3.81Å; Y161-F166 HydrophobicContact CE1-CB 3.6Å; Y161-F166 HydrophobicContact CE2-CB 3.82Å; Y161-F166 HydrophobicContact CG-CB 3.73Å; Q164-F166 PolarHBondContact O-N 3.26Å; F166-L170 HydrophobicContact CB-CD2 4.42Å; F166-L170 HydrophobicContact CD2-CB 4.38Å; F166-L170 HydrophobicContact CD2-CD2 4.22Å; F166-L171 HydrophobicContact CE2-CD1 4.19Å; F166-L171 HydrophobicContact CE2-CD2 4.02Å; F166-L171 HydrophobicContact CE2-CG 3.93Å; F166-L171 HydrophobicContact CZ-CD1 4.49Å; F166-L171 HydrophobicContact CZ-CD2 4.38Å; F166-A483 WeakPolarHBondContact O-CA 3.43Å; F166-A483 VanDerWaalsContact O-CB 3.26Å; F166-A483 WeakPolarHBondContact O-CB 3.28Å; F166-L484 WeakPolarHBondContact CD1-O 3.11Å; F166-L484 HydrophobicContact CE1-CB 3.91Å; F166-L484 WeakPolarHBondContact CE1-O 3.32Å; F166-L484 HydrophobicContact CZ-CB 3.95Å; F166-L484 PolarHBondContact N-O 2.79Å; F166-L484 PolarHBondContact O-N 3.24Å; F166-L484 VanDerWaalsContact O-N 3.07Å; F166-A486 HydrophobicContact CD1-CB 4.12Å; F166-A486 HydrophobicContact CE1-CB 3.65Å
167P97.6Very high97.1Very high64 Ų6442.7 Ų42.742%0.41623%0.228SC..EExtended strand (participates in β ladder)trans-70.9132.3177.428.8-33000110.7Y161 A169 L170Y161-P167 WeakPolarHBondContact OH-CD 3.35Å; P167-A169 PolarHBondContact O-N 3.11Å; P167-A169 VanDerWaalsContact O-N 3.07Å; P167-L170 VanDerWaalsContact O-CB 3.23Å; P167-L170 WeakPolarHBondContact O-CB 3.35Å; P167-L170 PolarHBondContact O-N 2.63Å
168L96.4Very high97.1Very high2 Ų239.4 Ų39.41%0.0121%0.213CC..G310 helixtrans-52.6-35.7179.9-81-179.8000113.4L170 L171 Q306 A309 L310 Q482 L484L168-L170 PolarHBondContact O-N 3.05Å; L168-L171 HydrophobicContact CD2-CD1 4.05Å; L168-L171 WeakPolarHBondContact O-CB 3.24Å; L168-L171 PolarHBondContact O-N 3.47Å; L168-Q306 HydrophobicContact CB-CG 4.39Å; L168-Q306 WeakPolarHBondContact O-CG 3.41Å; L168-A309 HydrophobicContact CD2-CB 4.43Å; L168-L310 HydrophobicContact CD1-CB 4.24Å; L168-L310 HydrophobicContact CD1-CD1 4.16Å; L168-Q482 HydrophobicContact CD1-CG 3.68Å; L168-Q482 PolarHBondContact N-O 3.13Å; L168-L484 HydrophobicContact CD2-CB 4.48Å; L168-L484 HydrophobicContact CD2-CD1 3.52Å; L168-L484 HydrophobicContact CD2-CG 3.76Å; L168-L484 HydrophobicContact CG-CG 4.44Å
169A95.5Very high97Very high59 Ų5939.6 Ų39.649%0.48821%0.214SC..G310 helixtrans-54.6-25.1179.600000113.5P167 L171 G172P167-A169 PolarHBondContact O-N 3.11Å; P167-A169 VanDerWaalsContact O-N 3.07Å; A169-L171 PolarHBondContact O-N 2.88Å; A169-G172 PolarHBondContact O-N 3.23Å
170L97.1Very high96.9Very high8 Ų836.6 Ų36.64%0.04220%0.198CC..G310 helixtrans-58-33.9174.5-178.463.3000112.4L154 Q157 L158 Y161 F166 P167 L168 G172 W173L154-L170 HydrophobicContact CD1-CG 4.3Å; Q157-L170 HydrophobicContact CB-CD1 4.46Å; Q157-L170 HydrophobicContact CB-CD2 4.27Å; L158-L170 HydrophobicContact CD2-CD2 4.01Å; Y161-L170 HydrophobicContact CD2-CD2 4.47Å; Y161-L170 HydrophobicContact CE2-CD2 3.72Å; F166-L170 HydrophobicContact CB-CD2 4.42Å; F166-L170 HydrophobicContact CD2-CB 4.38Å; F166-L170 HydrophobicContact CD2-CD2 4.22Å; P167-L170 VanDerWaalsContact O-CB 3.23Å; P167-L170 WeakPolarHBondContact O-CB 3.35Å; P167-L170 PolarHBondContact O-N 2.63Å; L168-L170 PolarHBondContact O-N 3.05Å; L170-G172 PolarHBondContact O-N 2.98Å; L170-W173 HydrophobicContact CD1-CD2 3.82Å; L170-W173 HydrophobicContact CD1-CE3 3.68Å; L170-W173 HydrophobicContact CD1-CG 4.33Å; L170-W173 HydrophobicContact CD1-CH2 4.49Å; L170-W173 HydrophobicContact CD1-CZ3 4.01Å; L170-W173 WeakPolarHBondContact O-CB 3.37Å; L170-W173 PolarHBondContact O-N 3.41Å; L170-W173 VanDerWaalsContact O-N 3.09Å
171L97.8Very high96.8Very high1 Ų134.7 Ų34.71%0.00518%0.175CC..G310 helixtrans-64.6-22.2178.8-60.8175.4000112.3L154 L158 F166 L168 A169 W173 P175 L305 Q306 A309 L450L154-L171 HydrophobicContact CD1-CD2 4.46Å; L154-L171 HydrophobicContact CD2-CD2 4.17Å; L158-L171 HydrophobicContact CD1-CD2 4.45Å; F166-L171 HydrophobicContact CE2-CD1 4.19Å; F166-L171 HydrophobicContact CE2-CD2 4.02Å; F166-L171 HydrophobicContact CE2-CG 3.93Å; F166-L171 HydrophobicContact CZ-CD1 4.49Å; F166-L171 HydrophobicContact CZ-CD2 4.38Å; L168-L171 HydrophobicContact CD2-CD1 4.05Å; L168-L171 WeakPolarHBondContact O-CB 3.24Å; L168-L171 PolarHBondContact O-N 3.47Å; A169-L171 PolarHBondContact O-N 2.88Å; L171-W173 PolarHBondContact O-N 3.46Å; L171-P175 WeakPolarHBondContact O-CD 3.44Å; L171-L305 HydrophobicContact CB-CD2 4.36Å; L171-L305 HydrophobicContact CB-CG 4.41Å; L171-L305 WeakPolarHBondContact O-CD2 3.22Å; L171-Q306 HydrophobicContact CB-CG 4.17Å; L171-A309 HydrophobicContact CD1-CB 3.3Å; L171-L450 HydrophobicContact CD2-CD1 4.14Å
172G96.4Very high96.7Very high3 Ų331.1 Ų31.13%0.03116%0.161CC..G310 helixtrans-72.9-12.3175.600000114.5A169 L170 P175 S176 S302A169-G172 PolarHBondContact O-N 3.23Å; L170-G172 PolarHBondContact O-N 2.98Å; G172-P175 WeakPolarHBondContact O-CG 3.41Å; G172-S176 VanDerWaalsContact O-CB 3.28Å; G172-S176 WeakPolarHBondContact O-CB 3.16Å; G172-S176 PolarHBondContact O-N 2.97Å; G172-S176 PolarHBondContact O-OG 2.97Å; G172-S302 VanDerWaalsContact CA-CB 3.45Å; G172-S302 WeakPolarHBondContact CA-OG 3.09Å; G172-S302 PolarHBondContact O-OG 3.13Å
173W97.3Very high96.6Very high71 Ų7120.7 Ų20.727%0.26912%0.122SC..Hα-helixtrans-71.9-41-174.9-69.717.4000112L170 L171 N177 Y190 F195 L199L170-W173 HydrophobicContact CD1-CD2 3.82Å; L170-W173 HydrophobicContact CD1-CE3 3.68Å; L170-W173 HydrophobicContact CD1-CG 4.33Å; L170-W173 HydrophobicContact CD1-CH2 4.49Å; L170-W173 HydrophobicContact CD1-CZ3 4.01Å; L170-W173 WeakPolarHBondContact O-CB 3.37Å; L170-W173 PolarHBondContact O-N 3.41Å; L170-W173 VanDerWaalsContact O-N 3.09Å; L171-W173 PolarHBondContact O-N 3.46Å; W173-N177 WeakPolarHBondContact O-CB 3.49Å; W173-N177 PolarHBondContact O-N 3.16Å; W173-Y190 HydrophobicContact CB-CD1 4.34Å; W173-Y190 HydrophobicContact CB-CE1 4Å; W173-Y190 HydrophobicContact CB-CE2 4.46Å; W173-Y190 HydrophobicContact CE3-CD1 4.09Å; W173-Y190 AromaticContact CE3-CD2 3.7Å; W173-Y190 HydrophobicContact CE3-CD2 3.7Å; W173-Y190 HydrophobicContact CE3-CE2 4.37Å; W173-Y190 AromaticContact CE3-CG 3.54Å; W173-Y190 HydrophobicContact CE3-CG 3.54Å; W173-Y190 HydrophobicContact CZ3-CD2 4.3Å; W173-Y190 HydrophobicContact CZ3-CG 4.08Å; W173-F195 HydrophobicContact CB-CE1 4.25Å; W173-F195 HydrophobicContact CB-CZ 4.2Å; W173-F195 HydrophobicContact CD2-CE1 4.2Å; W173-F195 HydrophobicContact CE3-CE1 4.45Å; W173-F195 HydrophobicContact CG-CE1 4.16Å; W173-L199 HydrophobicContact CG-CD1 4.14Å
174A97.7Very high96.5Very high0 Ų020.5 Ų20.50%012%0.116CC..Hα-helixtrans-59.4-60.2176.300000113E150 L154 S176 N177 I178 L446E150-A174 HydrophobicContact CB-CB 4.14Å; L154-A174 HydrophobicContact CB-CB 4.15Å; L154-A174 HydrophobicContact CD2-CB 3.88Å; A174-S176 PolarHBondContact O-N 2.63Å; A174-N177 PolarHBondContact O-N 2.96Å; A174-I178 VanDerWaalsContact O-CG1 3.29Å; A174-I178 WeakPolarHBondContact O-CG1 3.15Å; A174-I178 PolarHBondContact O-N 2.69Å; A174-L446 HydrophobicContact CB-CD1 4.3Å; A174-L446 HydrophobicContact CB-CD2 4.04Å
175P96.9Very high96.2Very high0 Ų016.4 Ų16.40%011%0.106CC..Hα-helixtrans-59.3-35-179.722.2-32.2000113.1L171 G172 N177 I178 T179 T301 S302 L446L171-P175 WeakPolarHBondContact O-CD 3.44Å; G172-P175 WeakPolarHBondContact O-CG 3.41Å; P175-N177 PolarHBondContact O-N 2.89Å; P175-I178 PolarHBondContact O-N 2.86Å; P175-T179 PolarHBondContact O-N 3.02Å; P175-T179 PolarHBondContact O-OG1 3.4Å; P175-T301 HydrophobicContact CB-CG2 3.67Å; P175-T301 HydrophobicContact CG-CG2 4.42Å; P175-S302 WeakPolarHBondContact CG-OG 3.49Å; P175-L446 HydrophobicContact CB-CD1 4.37Å
176S97.3Very high95.8Very high3 Ų319.1 Ų19.12%0.02111%0.11CC..Hα-helixtrans-65.2-39.9175.5-60.50000112.9G172 A174 T179 F180 L199 S302G172-S176 VanDerWaalsContact O-CB 3.28Å; G172-S176 WeakPolarHBondContact O-CB 3.16Å; G172-S176 PolarHBondContact O-N 2.97Å; G172-S176 PolarHBondContact O-OG 2.97Å; A174-S176 PolarHBondContact O-N 2.63Å; S176-T179 WeakPolarHBondContact O-CB 3.37Å; S176-T179 PolarHBondContact O-N 3.49Å; S176-F180 WeakPolarHBondContact O-CD1 3.45Å; S176-F180 VanDerWaalsContact O-CG 3.28Å; S176-F180 WeakPolarHBondContact O-CG 3.45Å; S176-F180 PolarHBondContact O-N 3.17Å; S176-L199 VanDerWaalsContact CB-CD2 3.48Å; S176-L199 WeakPolarHBondContact OG-CD2 3.28Å; S176-S302 PolarHBondContact OG-OG 3.35Å
177N97Very high95.6Very high0 Ų022.3 Ų22.30%012%0.122CC..Hα-helixtrans-73.5-31.6177.9-153.24.2000112.5E150 W173 A174 P175 T179 F180 T181 R187 F188 Y190 F195E150-N177 HydrophobicContact CG-CB 4.3Å; E150-N177 PolarHBondContact OE1-ND2 2.97Å; E150-N177 PolarHBondContact OE2-ND2 2.68Å; W173-N177 WeakPolarHBondContact O-CB 3.49Å; W173-N177 PolarHBondContact O-N 3.16Å; A174-N177 PolarHBondContact O-N 2.96Å; P175-N177 PolarHBondContact O-N 2.89Å; N177-T179 VanDerWaalsContact C-N 3.34Å; N177-F180 PolarHBondContact O-N 3Å; N177-T181 WeakPolarHBondContact O-CB 3.32Å; N177-T181 PolarHBondContact O-N 2.64Å; N177-T181 PolarHBondContact O-OG1 3.15Å; N177-R187 VanDerWaalsContact ND2-CG 3.33Å; N177-R187 WeakPolarHBondContact ND2-CG 3.47Å; N177-F188 PolarHBondContact ND2-O 3.15Å; N177-F188 PolarHBondContact OD1-N 3.28Å; N177-Y190 HydrophobicContact CB-CE1 4.28Å; N177-F195 HydrophobicContact CB-CE2 3.87Å; N177-F195 HydrophobicContact CB-CZ 4.19Å
178I96.6Very high95.5Very high2 Ų219.3 Ų19.31%0.0110%0.102CC..Hα-helixtrans-61.7-47.4171-60.6161000109.2I147 E150 A174 P175 F180 T181 L182 E442 L446I147-I178 HydrophobicContact CB-CD1 4.15Å; I147-I178 HydrophobicContact CG1-CD1 3.95Å; I147-I178 HydrophobicContact CG1-CG1 4.4Å; I147-I178 HydrophobicContact CG1-CG2 3.96Å; I147-I178 HydrophobicContact CG2-CD1 3.95Å; E150-I178 HydrophobicContact CB-CD1 4.13Å; E150-I178 HydrophobicContact CB-CG1 3.91Å; E150-I178 HydrophobicContact CG-CD1 4.37Å; E150-I178 HydrophobicContact CG-CG1 3.6Å; A174-I178 VanDerWaalsContact O-CG1 3.29Å; A174-I178 WeakPolarHBondContact O-CG1 3.15Å; A174-I178 PolarHBondContact O-N 2.69Å; P175-I178 PolarHBondContact O-N 2.86Å; I178-F180 PolarHBondContact O-N 3.38Å; I178-T181 PolarHBondContact O-N 3.24Å; I178-L182 HydrophobicContact CG2-CD1 4.42Å; I178-L182 WeakPolarHBondContact O-CG 3.31Å; I178-L182 PolarHBondContact O-N 2.91Å; I178-E442 HydrophobicContact CD1-CG 4.08Å; I178-E442 HydrophobicContact CG2-CG 4.11Å; I178-E442 WeakPolarHBondContact CG2-OE1 3.47Å; I178-L446 HydrophobicContact CD1-CD1 4.07Å
179T95.8Very high95.4Very high6 Ų623.3 Ų23.34%0.03712%0.124CC..Hα-helixtrans-55-51.7172.7-67.10000110.6P175 S176 N177 T181 L182 L183 G297 T298P175-T179 PolarHBondContact O-N 3.02Å; P175-T179 PolarHBondContact O-OG1 3.4Å; S176-T179 WeakPolarHBondContact O-CB 3.37Å; S176-T179 PolarHBondContact O-N 3.49Å; N177-T179 VanDerWaalsContact C-N 3.34Å; T179-T181 VanDerWaalsContact C-N 3.31Å; T179-T181 PolarHBondContact O-N 3.44Å; T179-L182 PolarHBondContact O-N 3.05Å; T179-L182 VanDerWaalsContact O-N 3.15Å; T179-L183 HydrophobicContact CG2-CD1 3.67Å; T179-L183 HydrophobicContact CG2-CG 4.15Å; T179-L183 WeakPolarHBondContact O-CB 3.23Å; T179-L183 VanDerWaalsContact O-CG 3.25Å; T179-L183 WeakPolarHBondContact O-CG 3.23Å; T179-L183 PolarHBondContact O-N 3.37Å; T179-G297 VanDerWaalsContact OG1-C 3.26Å; T179-G297 WeakPolarHBondContact OG1-CA 3.34Å; T179-G297 PolarHBondContact OG1-O 2.86Å; T179-G297 VanDerWaalsContact OG1-O 3.13Å; T179-T298 HydrophobicContact CG2-CG2 4.41Å
180F95.5Very high95.4Very high0 Ų020.8 Ų20.80%010%0.102CC..Hα-helixtrans-63.8-34.8-179.7-66.8-5.7000113.3S176 N177 I178 L182 L183 F184 F188 F195 L198 L199 I202 V294 T298S176-F180 WeakPolarHBondContact O-CD1 3.45Å; S176-F180 VanDerWaalsContact O-CG 3.28Å; S176-F180 WeakPolarHBondContact O-CG 3.45Å; S176-F180 PolarHBondContact O-N 3.17Å; N177-F180 PolarHBondContact O-N 3Å; I178-F180 PolarHBondContact O-N 3.38Å; F180-L182 VanDerWaalsContact C-N 3.34Å; F180-L183 PolarHBondContact O-N 3Å; F180-F184 HydrophobicContact CB-CD2 3.9Å; F180-F184 HydrophobicContact CB-CE2 4.16Å; F180-F184 HydrophobicContact CD1-CD2 4.49Å; F180-F184 AromaticContact CD1-CE2 3.89Å; F180-F184 HydrophobicContact CD1-CE2 3.89Å; F180-F184 HydrophobicContact CG-CD2 4.28Å; F180-F184 HydrophobicContact CG-CE2 4.05Å; F180-F184 WeakPolarHBondContact O-CB 3.4Å; F180-F184 WeakPolarHBondContact O-CD2 3.19Å; F180-F184 PolarHBondContact O-N 2.9Å; F180-F188 HydrophobicContact CB-CD2 3.92Å; F180-F188 HydrophobicContact CB-CE2 3.9Å; F180-F188 AromaticContact CD2-CD2 3.97Å; F180-F188 HydrophobicContact CD2-CD2 3.97Å; F180-F188 HydrophobicContact CD2-CE2 4.19Å; F180-F188 HydrophobicContact CG-CD2 4.42Å; F180-F188 HydrophobicContact CG-CE2 4.39Å; F180-F195 AromaticContact CD2-CD2 3.59Å; F180-F195 HydrophobicContact CD2-CD2 3.59Å; F180-F195 AromaticContact CD2-CE2 3.8Å; F180-F195 HydrophobicContact CD2-CE2 3.8Å; F180-F195 AromaticContact CE2-CD2 3.56Å; F180-F195 HydrophobicContact CE2-CD2 3.56Å; F180-F195 AromaticContact CE2-CE2 3.79Å; F180-F195 HydrophobicContact CE2-CE2 3.79Å; F180-L198 HydrophobicContact CE2-CB 4.21Å; F180-L198 HydrophobicContact CE2-CD1 4.03Å; F180-L198 HydrophobicContact CZ-CB 4.02Å; F180-L198 HydrophobicContact CZ-CD1 4.04Å; F180-L199 HydrophobicContact CZ-CD2 4.39Å; F180-I202 HydrophobicContact CZ-CD1 4.3Å; F180-V294 HydrophobicContact CE1-CG1 4.04Å; F180-V294 HydrophobicContact CE1-CG2 4.37Å; F180-T298 HydrophobicContact CD1-CG2 4.45Å; F180-T298 HydrophobicContact CE1-CG2 3.6Å; F180-T298 HydrophobicContact CZ-CG2 3.98Å
181T95.1Very high95.2Very high16 Ų1630.5 Ų30.510%0.09814%0.138CC..Hα-helixtrans-65.4-39.3175.2-58.70000111.4K146 N177 I178 T179 G185 R186 R187K146-T181 HydrophobicContact CD-CG2 3.88Å; K146-T181 HydrophobicContact CG-CG2 4.49Å; N177-T181 WeakPolarHBondContact O-CB 3.32Å; N177-T181 PolarHBondContact O-N 2.64Å; N177-T181 PolarHBondContact O-OG1 3.15Å; I178-T181 PolarHBondContact O-N 3.24Å; T179-T181 VanDerWaalsContact C-N 3.31Å; T179-T181 PolarHBondContact O-N 3.44Å; T181-G185 CarbonylContact O-C 3.5Å; T181-G185 WeakPolarHBondContact O-CA 3.34Å; T181-G185 PolarHBondContact O-N 3.19Å; T181-R186 WeakPolarHBondContact CA-O 3.31Å; T181-R187 WeakPolarHBondContact OG1-CA 3.36Å
182L94.7Very high95.1Very high5 Ų532.2 Ų32.23%0.02615%0.147CC..Hα-helixtrans-70.7-37.3174.4-70174000112.1V138 V143 I178 T179 F180 S263 Y264 L438V138-L182 HydrophobicContact CG2-CD1 4.44Å; V143-L182 HydrophobicContact CG1-CD2 4.47Å; V143-L182 HydrophobicContact CG2-CD2 4Å; I178-L182 HydrophobicContact CG2-CD1 4.42Å; I178-L182 WeakPolarHBondContact O-CG 3.31Å; I178-L182 PolarHBondContact O-N 2.91Å; T179-L182 PolarHBondContact O-N 3.05Å; T179-L182 VanDerWaalsContact O-N 3.15Å; F180-L182 VanDerWaalsContact C-N 3.34Å; L182-S263 WeakPolarHBondContact O-CA 3.49Å; L182-Y264 PolarHBondContact O-N 2.75Å; L182-L438 HydrophobicContact CD1-CD1 3.62Å; L182-L438 HydrophobicContact CD1-CD2 3.45Å; L182-L438 VanDerWaalsContact CD1-CD2 3.45Å; L182-L438 HydrophobicContact CD1-CG 4.18Å
183L94.5Very high95Very high2 Ų236.9 Ų36.91%0.0118%0.177CC..Hα-helixtrans-78.1-45.6-175.9-64.7-177000113.1T179 F180 S263 Y264 V265 M293 V294T179-L183 HydrophobicContact CG2-CD1 3.67Å; T179-L183 HydrophobicContact CG2-CG 4.15Å; T179-L183 WeakPolarHBondContact O-CB 3.23Å; T179-L183 VanDerWaalsContact O-CG 3.25Å; T179-L183 WeakPolarHBondContact O-CG 3.23Å; T179-L183 PolarHBondContact O-N 3.37Å; F180-L183 PolarHBondContact O-N 3Å; L183-S263 WeakPolarHBondContact O-CB 3.29Å; L183-S263 PolarHBondContact O-OG 2.89Å; L183-Y264 HydrophobicContact CD2-CD1 3.67Å; L183-Y264 HydrophobicContact CD2-CG 3.78Å; L183-Y264 PolarHBondContact O-N 3.43Å; L183-V265 VanDerWaalsContact O-CB 3.3Å; L183-V265 WeakPolarHBondContact O-CB 3.45Å; L183-V265 VanDerWaalsContact O-CG2 3.26Å; L183-V265 WeakPolarHBondContact O-CG2 3.26Å; L183-V265 PolarHBondContact O-N 2.79Å; L183-M293 HydrophobicContact CD1-CB 3.83Å; L183-M293 HydrophobicContact CD2-CB 3.69Å; L183-M293 HydrophobicContact CD2-CE 4.43Å; L183-M293 HydrophobicContact CD2-CG 4.28Å; L183-M293 HydrophobicContact CG-CB 4.43Å; L183-V294 HydrophobicContact CD1-CB 4.31Å; L183-V294 HydrophobicContact CD1-CG2 3.44Å; L183-V294 VanDerWaalsContact CD1-CG2 3.44Å
184F93.2Very high94.9Very high16 Ų1635.9 Ų35.97%0.0718%0.178CC..Hα-helixtrans-107.4-2.7-173.3-50.8-62000113.5F180 R186 F188 L244 L247 V265 T290 V294F180-F184 HydrophobicContact CB-CD2 3.9Å; F180-F184 HydrophobicContact CB-CE2 4.16Å; F180-F184 HydrophobicContact CD1-CD2 4.49Å; F180-F184 AromaticContact CD1-CE2 3.89Å; F180-F184 HydrophobicContact CD1-CE2 3.89Å; F180-F184 HydrophobicContact CG-CD2 4.28Å; F180-F184 HydrophobicContact CG-CE2 4.05Å; F180-F184 WeakPolarHBondContact O-CB 3.4Å; F180-F184 WeakPolarHBondContact O-CD2 3.19Å; F180-F184 PolarHBondContact O-N 2.9Å; F184-R186 HydrophobicContact CB-CG 4.33Å; F184-R186 PolarHBondContact O-N 3.24Å; F184-F188 AromaticContact CD2-CE2 3.93Å; F184-F188 HydrophobicContact CD2-CE2 3.93Å; F184-F188 HydrophobicContact CD2-CZ 4.3Å; F184-L244 HydrophobicContact CE1-CD2 4.13Å; F184-L244 HydrophobicContact CZ-CD2 3.65Å; F184-L247 HydrophobicContact CD1-CB 4.2Å; F184-L247 HydrophobicContact CD1-CD1 4.04Å; F184-L247 HydrophobicContact CD2-CD1 4.33Å; F184-L247 HydrophobicContact CE1-CB 4.17Å; F184-L247 HydrophobicContact CE1-CD1 3.72Å; F184-L247 HydrophobicContact CE2-CD1 4.02Å; F184-L247 HydrophobicContact CG-CD1 4.33Å; F184-L247 HydrophobicContact CZ-CD1 3.71Å; F184-V265 HydrophobicContact CD1-CG2 3.95Å; F184-V265 HydrophobicContact CE1-CG2 4.2Å; F184-T290 HydrophobicContact CE1-CG2 4.14Å; F184-T290 HydrophobicContact CZ-CG2 4.5Å; F184-V294 HydrophobicContact CE2-CG2 4.43Å; F184-V294 HydrophobicContact CZ-CG2 3.99Å
185G90.9Very high94.8Very high36 Ų3635.9 Ų35.937%0.37118%0.178SC..SBendtrans747-179.900000113.9T181T181-G185 CarbonylContact O-C 3.5Å; T181-G185 WeakPolarHBondContact O-CA 3.34Å; T181-G185 PolarHBondContact O-N 3.19Å
186R90.7Very high94.7Very high106 Ų10639.2 Ų39.240%0.420%0.199SC..SBendtrans-140.6142.4-178.470.2-178.6-176.7104.3-9.2112.4T181 F184 F188T181-R186 WeakPolarHBondContact CA-O 3.31Å; F184-R186 HydrophobicContact CB-CG 4.33Å; F184-R186 PolarHBondContact O-N 3.24Å; R186-F188 HydrophobicContact CG-CE2 4.19Å; R186-F188 HydrophobicContact CG-CZ 4.48Å; R186-F188 VanDerWaalsContact NH2-CZ 3.33Å
187R94.1Very high94.6Very high68 Ų6841.7 Ų41.726%0.25722%0.216SC..PPolyproline II helixtrans-75.4144.2166.9-177.7-169.3-176.4-80.2-18.1109.9E150 C153 N177 T181 D189E150-R187 WeakPolarHBondContact OE1-CD 3.5Å; E150-R187 VanDerWaalsContact OE1-CG 3.24Å; E150-R187 WeakPolarHBondContact OE1-CG 3.4Å; E150-R187 IonicContact OE1-CZ 3.78Å; E150-R187 IonicContact OE1-NE 2.71Å; E150-R187 PolarHBondContact OE1-NE 2.98Å; E150-R187 IonicContact OE1-NH2 3.66Å; E150-R187 IonicContact OE2-CZ 3.39Å; E150-R187 IonicContact OE2-NE 2.68Å; E150-R187 IonicContact OE2-NH2 3.26Å; E150-R187 PolarHBondContact OE2-NH2 3.48Å; C153-R187 PolarHBondContact SG-NH2 3.31Å; N177-R187 VanDerWaalsContact ND2-CG 3.33Å; N177-R187 WeakPolarHBondContact ND2-CG 3.47Å; T181-R187 WeakPolarHBondContact OG1-CA 3.36Å; R187-D189 IonicContact NH1-OD2 3.04Å
188F94.6Very high94.5Very high1 Ų141.7 Ų41.70%0.00422%0.216CC..PPolyproline II helixtrans-100.4146167.9-66.3-103.4000110.9N177 F180 F184 R186 D192 V194 F195 L247N177-F188 PolarHBondContact ND2-O 3.15Å; N177-F188 PolarHBondContact OD1-N 3.28Å; F180-F188 HydrophobicContact CB-CD2 3.92Å; F180-F188 HydrophobicContact CB-CE2 3.9Å; F180-F188 AromaticContact CD2-CD2 3.97Å; F180-F188 HydrophobicContact CD2-CD2 3.97Å; F180-F188 HydrophobicContact CD2-CE2 4.19Å; F180-F188 HydrophobicContact CG-CD2 4.42Å; F180-F188 HydrophobicContact CG-CE2 4.39Å; F184-F188 AromaticContact CD2-CE2 3.93Å; F184-F188 HydrophobicContact CD2-CE2 3.93Å; F184-F188 HydrophobicContact CD2-CZ 4.3Å; R186-F188 HydrophobicContact CG-CE2 4.19Å; R186-F188 HydrophobicContact CG-CZ 4.48Å; R186-F188 VanDerWaalsContact NH2-CZ 3.33Å; F188-D192 HydrophobicContact CB-CB 4.33Å; F188-D192 HydrophobicContact CD1-CB 4.43Å; F188-V194 HydrophobicContact CE1-CB 4.18Å; F188-V194 HydrophobicContact CE1-CG1 3.98Å; F188-F195 HydrophobicContact CB-CB 3.76Å; F188-F195 HydrophobicContact CB-CD2 3.8Å; F188-F195 HydrophobicContact CB-CG 4.02Å; F188-F195 HydrophobicContact CD1-CB 4.33Å; F188-F195 HydrophobicContact CG-CB 4.24Å; F188-F195 HydrophobicContact CG-CD2 4.33Å; F188-L247 HydrophobicContact CZ-CD2 4.49Å
189D95.3Very high94.5Very high87 Ų8742.9 Ų42.947%0.46522%0.222SC..PPolyproline II helixtrans-67.1148.3165.7-170-100.7000110R187 R191 D192R187-D189 IonicContact NH1-OD2 3.04Å; D189-R191 PolarHBondContact O-N 3.21Å; D189-R191 VanDerWaalsContact OD1-CB 3.32Å; D189-R191 WeakPolarHBondContact OD1-CB 3.26Å; D189-R191 PolarHBondContact OD1-N 2.86Å; D189-D192 HydrophobicContact CB-CB 4.34Å; D189-D192 WeakPolarHBondContact O-CB 3.23Å; D189-D192 PolarHBondContact O-N 2.85Å
190Y94.7Very high94.5Very high5 Ų544.2 Ų44.22%0.0224%0.237CC..THydrogen-bonded Turntrans-67.9-18179.9-73.6-11.6000113.5E150 C153 Q157 W173 N177 F195 V196E150-Y190 WeakPolarHBondContact OE2-CE1 3.43Å; E150-Y190 PolarHBondContact OE2-OH 2.96Å; C153-Y190 HydrophobicContact CB-CE2 4.24Å; Q157-Y190 HydrophobicContact CG-CD2 3.56Å; Q157-Y190 HydrophobicContact CG-CE2 3.79Å; W173-Y190 HydrophobicContact CB-CD1 4.34Å; W173-Y190 HydrophobicContact CB-CE1 4Å; W173-Y190 HydrophobicContact CB-CE2 4.46Å; W173-Y190 HydrophobicContact CE3-CD1 4.09Å; W173-Y190 AromaticContact CE3-CD2 3.7Å; W173-Y190 HydrophobicContact CE3-CD2 3.7Å; W173-Y190 HydrophobicContact CE3-CE2 4.37Å; W173-Y190 AromaticContact CE3-CG 3.54Å; W173-Y190 HydrophobicContact CE3-CG 3.54Å; W173-Y190 HydrophobicContact CZ3-CD2 4.3Å; W173-Y190 HydrophobicContact CZ3-CG 4.08Å; N177-Y190 HydrophobicContact CB-CE1 4.28Å; Y190-F195 HydrophobicContact CD1-CD1 4.47Å; Y190-F195 AromaticContact CD1-CE1 3.8Å; Y190-F195 HydrophobicContact CD1-CE1 3.8Å; Y190-F195 HydrophobicContact CD1-CZ 4.08Å; Y190-F195 HydrophobicContact CE1-CE1 4.41Å; Y190-F195 HydrophobicContact CE1-CZ 4.27Å; Y190-V196 WeakPolarHBondContact O-CG2 3.38Å
191R93.3Very high94.6Very high212 Ų21244.6 Ų44.680%0.824%0.239SC*.THydrogen-bonded Turntrans-94.8-0.1171.7-56.8178.2177.8175.3-0.3112.7D189D189-R191 PolarHBondContact O-N 3.21Å; D189-R191 VanDerWaalsContact OD1-CB 3.32Å; D189-R191 WeakPolarHBondContact OD1-CB 3.26Å; D189-R191 PolarHBondContact OD1-N 2.86Å
192D95.9Very high94.7Very high38 Ų3844 Ų4420%0.20324%0.235CC..  trans-62.3125177.4-173.5-50.9000109.2F188 D189 V194 F195 V196F188-D192 HydrophobicContact CB-CB 4.33Å; F188-D192 HydrophobicContact CD1-CB 4.43Å; D189-D192 HydrophobicContact CB-CB 4.34Å; D189-D192 WeakPolarHBondContact O-CB 3.23Å; D189-D192 PolarHBondContact O-N 2.85Å; D192-V194 PolarHBondContact O-N 3.2Å; D192-V194 WeakPolarHBondContact OD1-CA 3.23Å; D192-V194 VanDerWaalsContact OD1-CB 3.26Å; D192-V194 WeakPolarHBondContact OD1-CB 3.49Å; D192-V194 PolarHBondContact OD1-N 3.11Å; D192-F195 HydrophobicContact CB-CB 4.02Å; D192-F195 WeakPolarHBondContact O-CB 3.5Å; D192-F195 PolarHBondContact O-N 3.46Å; D192-F195 VanDerWaalsContact O-N 3.12Å; D192-V196 PolarHBondContact O-N 3.36Å
193P94.9Very high94.7Very high101 Ų10146.8 Ų46.866%0.65625%0.25SS*.Hα-helixtrans-63.4-29.7-176.824.5-33.2000112.8S197P193-S197 WeakPolarHBondContact O-CB 3.21Å; P193-S197 PolarHBondContact O-N 3.38Å
194V93.8Very high94.8Very high49 Ų4950.6 Ų50.630%0.29727%0.268SS..Hα-helixtrans-68-42.3175.4-179.40000110.1F188 D192 L198 I243F188-V194 HydrophobicContact CE1-CB 4.18Å; F188-V194 HydrophobicContact CE1-CG1 3.98Å; D192-V194 PolarHBondContact O-N 3.2Å; D192-V194 WeakPolarHBondContact OD1-CA 3.23Å; D192-V194 VanDerWaalsContact OD1-CB 3.26Å; D192-V194 WeakPolarHBondContact OD1-CB 3.49Å; D192-V194 PolarHBondContact OD1-N 3.11Å; V194-L198 HydrophobicContact CG1-CD1 4.07Å; V194-L198 HydrophobicContact CG1-CG 4.48Å; V194-L198 WeakPolarHBondContact O-CB 3.44Å; V194-L198 WeakPolarHBondContact O-CG 3.5Å; V194-L198 PolarHBondContact O-N 3.02Å; V194-I243 HydrophobicContact CG1-CG2 3.85Å
195F95.4Very high95Very high0 Ų049.9 Ų49.90%027%0.265CS..Hα-helixtrans-62.5-53.1177.8-178.4-103.8000111.5W173 N177 F180 F188 Y190 D192 S197 L198 L199W173-F195 HydrophobicContact CB-CE1 4.25Å; W173-F195 HydrophobicContact CB-CZ 4.2Å; W173-F195 HydrophobicContact CD2-CE1 4.2Å; W173-F195 HydrophobicContact CE3-CE1 4.45Å; W173-F195 HydrophobicContact CG-CE1 4.16Å; N177-F195 HydrophobicContact CB-CE2 3.87Å; N177-F195 HydrophobicContact CB-CZ 4.19Å; F180-F195 AromaticContact CD2-CD2 3.59Å; F180-F195 HydrophobicContact CD2-CD2 3.59Å; F180-F195 AromaticContact CD2-CE2 3.8Å; F180-F195 HydrophobicContact CD2-CE2 3.8Å; F180-F195 AromaticContact CE2-CD2 3.56Å; F180-F195 HydrophobicContact CE2-CD2 3.56Å; F180-F195 AromaticContact CE2-CE2 3.79Å; F180-F195 HydrophobicContact CE2-CE2 3.79Å; F188-F195 HydrophobicContact CB-CB 3.76Å; F188-F195 HydrophobicContact CB-CD2 3.8Å; F188-F195 HydrophobicContact CB-CG 4.02Å; F188-F195 HydrophobicContact CD1-CB 4.33Å; F188-F195 HydrophobicContact CG-CB 4.24Å; F188-F195 HydrophobicContact CG-CD2 4.33Å; Y190-F195 HydrophobicContact CD1-CD1 4.47Å; Y190-F195 AromaticContact CD1-CE1 3.8Å; Y190-F195 HydrophobicContact CD1-CE1 3.8Å; Y190-F195 HydrophobicContact CD1-CZ 4.08Å; Y190-F195 HydrophobicContact CE1-CE1 4.41Å; Y190-F195 HydrophobicContact CE1-CZ 4.27Å; D192-F195 HydrophobicContact CB-CB 4.02Å; D192-F195 WeakPolarHBondContact O-CB 3.5Å; D192-F195 PolarHBondContact O-N 3.46Å; D192-F195 VanDerWaalsContact O-N 3.12Å; F195-S197 VanDerWaalsContact C-N 3.32Å; F195-S197 PolarHBondContact O-N 2.89Å; F195-L198 PolarHBondContact O-N 3.46Å; F195-L199 HydrophobicContact CD1-CD1 4.02Å; F195-L199 HydrophobicContact CE1-CD1 3.39Å; F195-L199 HydrophobicContact CE1-CG 4.24Å; F195-L199 HydrophobicContact CE2-CD1 4.23Å; F195-L199 HydrophobicContact CE2-CG 4.44Å; F195-L199 HydrophobicContact CZ-CD1 3.52Å; F195-L199 HydrophobicContact CZ-CG 4.2Å; F195-L199 WeakPolarHBondContact O-CG 3.45Å; F195-L199 PolarHBondContact O-N 3.48Å
196V95.2Very high95.3Very high71 Ų7148.7 Ų48.743%0.4325%0.249SC..Hα-helixtrans-61.4-42.3-179.9176.40000111.1Y190 D192 L199 G200Y190-V196 WeakPolarHBondContact O-CG2 3.38Å; D192-V196 PolarHBondContact O-N 3.36Å; V196-L199 PolarHBondContact O-N 3.34Å; V196-G200 PolarHBondContact O-N 3.03Å
197S95.7Very high95.5Very high54 Ų5445.8 Ų45.838%0.37824%0.244SC..Hα-helixtrans-62-48.3176.8-177.40000111.8P193 F195 L199 G200 L201P193-S197 WeakPolarHBondContact O-CB 3.21Å; P193-S197 PolarHBondContact O-N 3.38Å; F195-S197 VanDerWaalsContact C-N 3.32Å; F195-S197 PolarHBondContact O-N 2.89Å; S197-L199 PolarHBondContact O-N 3.42Å; S197-G200 PolarHBondContact O-N 2.74Å; S197-L201 WeakPolarHBondContact O-CB 3.37Å; S197-L201 VanDerWaalsContact O-CG 3.27Å; S197-L201 WeakPolarHBondContact O-CG 3.37Å; S197-L201 PolarHBondContact O-N 2.83Å
198L95.7Very high95.6Very high0 Ų045 Ų450%024%0.244CC..Hα-helixtrans-59.2-46.4177.3-79.8173.4000111.7F180 V194 F195 G200 L201 I202 V240 I243F180-L198 HydrophobicContact CE2-CB 4.21Å; F180-L198 HydrophobicContact CE2-CD1 4.03Å; F180-L198 HydrophobicContact CZ-CB 4.02Å; F180-L198 HydrophobicContact CZ-CD1 4.04Å; V194-L198 HydrophobicContact CG1-CD1 4.07Å; V194-L198 HydrophobicContact CG1-CG 4.48Å; V194-L198 WeakPolarHBondContact O-CB 3.44Å; V194-L198 WeakPolarHBondContact O-CG 3.5Å; V194-L198 PolarHBondContact O-N 3.02Å; F195-L198 PolarHBondContact O-N 3.46Å; L198-G200 PolarHBondContact O-N 2.98Å; L198-L201 PolarHBondContact O-N 3.29Å; L198-I202 WeakPolarHBondContact O-CB 3.47Å; L198-I202 WeakPolarHBondContact O-CD1 3.37Å; L198-I202 WeakPolarHBondContact O-CG1 3.28Å; L198-I202 PolarHBondContact O-N 3.16Å; L198-V240 HydrophobicContact CD2-CG1 4.19Å; L198-I243 HydrophobicContact CD1-CG2 4.02Å; L198-I243 HydrophobicContact CD2-CB 4.09Å; L198-I243 HydrophobicContact CD2-CD1 3.83Å; L198-I243 HydrophobicContact CD2-CG2 3.83Å; L198-I243 HydrophobicContact CG-CD1 4.14Å; L198-I243 HydrophobicContact CG-CG2 4Å
199L95.6Very high95.6Very high28 Ų2845.4 Ų45.415%0.14725%0.246CC..Hα-helixtrans-61.9-43.9178.2-68.2-170.7000112.6W173 S176 F180 F195 V196 S197 I202 D203W173-L199 HydrophobicContact CG-CD1 4.14Å; S176-L199 VanDerWaalsContact CB-CD2 3.48Å; S176-L199 WeakPolarHBondContact OG-CD2 3.28Å; F180-L199 HydrophobicContact CZ-CD2 4.39Å; F195-L199 HydrophobicContact CD1-CD1 4.02Å; F195-L199 HydrophobicContact CE1-CD1 3.39Å; F195-L199 HydrophobicContact CE1-CG 4.24Å; F195-L199 HydrophobicContact CE2-CD1 4.23Å; F195-L199 HydrophobicContact CE2-CG 4.44Å; F195-L199 HydrophobicContact CZ-CD1 3.52Å; F195-L199 HydrophobicContact CZ-CG 4.2Å; F195-L199 WeakPolarHBondContact O-CG 3.45Å; F195-L199 PolarHBondContact O-N 3.48Å; V196-L199 PolarHBondContact O-N 3.34Å; S197-L199 PolarHBondContact O-N 3.42Å; L199-I202 PolarHBondContact O-N 3.12Å; L199-D203 WeakPolarHBondContact O-CB 3.21Å; L199-D203 PolarHBondContact O-N 3.41Å
200G96.2Very high95.4Very high33 Ų3342 Ų4234%0.3423%0.232SC..Hα-helixtrans-62.4-43.7176.900000112.3V196 S197 L198 D203 E204V196-G200 PolarHBondContact O-N 3.03Å; S197-G200 PolarHBondContact O-N 2.74Å; L198-G200 PolarHBondContact O-N 2.98Å; G200-D203 PolarHBondContact O-N 2.97Å; G200-E204 WeakPolarHBondContact O-CG 3.36Å; G200-E204 PolarHBondContact O-N 3.35Å
201L97.4Very high95.3Very high9 Ų942.9 Ų42.95%0.04724%0.238CC..Hα-helixtrans-64.4-42.7176.8-70.2171.8000112.3S197 L198 E204 V205 K236 E239 V240 I243S197-L201 WeakPolarHBondContact O-CB 3.37Å; S197-L201 VanDerWaalsContact O-CG 3.27Å; S197-L201 WeakPolarHBondContact O-CG 3.37Å; S197-L201 PolarHBondContact O-N 2.83Å; L198-L201 PolarHBondContact O-N 3.29Å; L201-E204 PolarHBondContact O-N 2.91Å; L201-V205 WeakPolarHBondContact O-CB 3.43Å; L201-V205 VanDerWaalsContact O-CG2 3.26Å; L201-V205 WeakPolarHBondContact O-CG2 3.09Å; L201-V205 PolarHBondContact O-N 3.48Å; L201-K236 HydrophobicContact CD2-CD 3.55Å; L201-E239 HydrophobicContact CD1-CB 3.93Å; L201-E239 HydrophobicContact CD2-CB 4.1Å; L201-E239 VanDerWaalsContact CD2-OE2 3.28Å; L201-E239 WeakPolarHBondContact CD2-OE2 3.34Å; L201-V240 HydrophobicContact CB-CG2 3.6Å; L201-V240 HydrophobicContact CD1-CG2 3.93Å; L201-V240 HydrophobicContact CG-CG2 4.36Å; L201-I243 HydrophobicContact CD1-CD1 3.89Å
202I96.4Very high95.2Very high4 Ų435.1 Ų35.12%0.02122%0.216CC..Hα-helixtrans-61.4-47.2177.2-68.1162.9000109.9F180 L198 L199 E204 V205 M206 V294 M295 T298F180-I202 HydrophobicContact CZ-CD1 4.3Å; L198-I202 WeakPolarHBondContact O-CB 3.47Å; L198-I202 WeakPolarHBondContact O-CD1 3.37Å; L198-I202 WeakPolarHBondContact O-CG1 3.28Å; L198-I202 PolarHBondContact O-N 3.16Å; L199-I202 PolarHBondContact O-N 3.12Å; I202-E204 PolarHBondContact O-N 3.45Å; I202-V205 PolarHBondContact O-N 3.26Å; I202-M206 HydrophobicContact CG2-CG 4.35Å; I202-M206 VanDerWaalsContact O-CG 3.3Å; I202-M206 WeakPolarHBondContact O-CG 3.33Å; I202-M206 PolarHBondContact O-N 3.46Å; I202-V294 HydrophobicContact CD1-CG1 3.63Å; I202-V294 HydrophobicContact CG1-CG1 4.36Å; I202-M295 HydrophobicContact CB-SD 4.31Å; I202-M295 HydrophobicContact CG1-SD 3.72Å; I202-M295 HydrophobicContact CG2-CE 4.2Å; I202-M295 HydrophobicContact CG2-SD 4.18Å; I202-T298 HydrophobicContact CD1-CG2 3.96Å
203D95.4Very high95Very high63 Ų6334.6 Ų34.634%0.33722%0.219SC..Hα-helixtrans-55.7-51.5177-176.583.4000111.5L199 G200 V205 M206 V207 R478L199-D203 WeakPolarHBondContact O-CB 3.21Å; L199-D203 PolarHBondContact O-N 3.41Å; G200-D203 PolarHBondContact O-N 2.97Å; D203-V205 VanDerWaalsContact C-N 3.35Å; D203-V205 PolarHBondContact O-N 2.89Å; D203-M206 PolarHBondContact O-N 2.83Å; D203-V207 WeakPolarHBondContact O-CG2 3.41Å; D203-V207 PolarHBondContact O-N 3.15Å; D203-R478 IonicContact OD1-CZ 3.23Å; D203-R478 IonicContact OD1-NH1 2.77Å; D203-R478 PolarHBondContact OD1-NH1 2.81Å; D203-R478 IonicContact OD1-NH2 3.89Å; D203-R478 PolarHBondContact OD1-NH2 3.22Å; D203-R478 IonicContact OD2-NH2 3.77Å
204E96.9Very high94.9Very high82 Ų8229.9 Ų29.938%0.38319%0.188SC..Hα-helixtrans-60.3-43.1178.3-73.7-179-157.100112G200 L201 I202 V207 L208 K236G200-E204 WeakPolarHBondContact O-CG 3.36Å; G200-E204 PolarHBondContact O-N 3.35Å; L201-E204 PolarHBondContact O-N 2.91Å; I202-E204 PolarHBondContact O-N 3.45Å; E204-V207 PolarHBondContact O-N 3.37Å; E204-L208 WeakPolarHBondContact O-CB 3.47Å; E204-L208 VanDerWaalsContact O-CG 3.22Å; E204-L208 WeakPolarHBondContact O-CG 3.3Å; E204-L208 PolarHBondContact O-N 3.48Å; E204-K236 IonicContact OE1-NZ 3.51Å; E204-K236 WeakPolarHBondContact OE2-CD 3.37Å; E204-K236 WeakPolarHBondContact OE2-CE 3.49Å; E204-K236 IonicContact OE2-NZ 2.73Å; E204-K236 PolarHBondContact OE2-NZ 3.41Å
205V97.5Very high94.7Very high0 Ų030.4 Ų30.40%019%0.187CC..Hα-helixtrans-61.8-45176.2169.10000110.6L201 I202 D203 V207 L208 L209 V233 K236 I237 M295L201-V205 WeakPolarHBondContact O-CB 3.43Å; L201-V205 VanDerWaalsContact O-CG2 3.26Å; L201-V205 WeakPolarHBondContact O-CG2 3.09Å; L201-V205 PolarHBondContact O-N 3.48Å; I202-V205 PolarHBondContact O-N 3.26Å; D203-V205 VanDerWaalsContact C-N 3.35Å; D203-V205 PolarHBondContact O-N 2.89Å; V205-V207 VanDerWaalsContact C-N 3.34Å; V205-V207 PolarHBondContact O-N 3.36Å; V205-L208 PolarHBondContact O-N 3.38Å; V205-L209 HydrophobicContact CG1-CD1 3.81Å; V205-L209 HydrophobicContact CG1-CG 4.05Å; V205-L209 WeakPolarHBondContact O-CB 3.41Å; V205-L209 VanDerWaalsContact O-CG 3.24Å; V205-L209 WeakPolarHBondContact O-CG 3.19Å; V205-L209 PolarHBondContact O-N 3.13Å; V205-V233 HydrophobicContact CG1-CG2 4.16Å; V205-K236 HydrophobicContact CG2-CB 3.58Å; V205-I237 HydrophobicContact CG1-CD1 3.81Å; V205-I237 HydrophobicContact CG1-CG1 4.28Å; V205-I237 HydrophobicContact CG2-CD1 4.08Å; V205-I237 HydrophobicContact CG2-CG1 4.16Å; V205-M295 HydrophobicContact CB-CE 3.78Å; V205-M295 HydrophobicContact CG1-CE 3.33Å
206M95.8Very high94.5Very high11 Ų1133.3 Ų33.35%0.05420%0.203CC..Hα-helixtrans-64.2-38.7179.9-68.9-57.5-175.600112.2I202 D203 L209 G210 M295 E299 F475I202-M206 HydrophobicContact CG2-CG 4.35Å; I202-M206 VanDerWaalsContact O-CG 3.3Å; I202-M206 WeakPolarHBondContact O-CG 3.33Å; I202-M206 PolarHBondContact O-N 3.46Å; D203-M206 PolarHBondContact O-N 2.83Å; M206-L209 HydrophobicContact SD-CD1 4.12Å; M206-G210 PolarHBondContact O-N 2.95Å; M206-M295 HydrophobicContact CE-CB 4.04Å; M206-M295 HydrophobicContact CE-CE 3.62Å; M206-M295 VanDerWaalsContact CE-O 3.26Å; M206-M295 WeakPolarHBondContact CE-O 3.28Å; M206-M295 HydrophobicContact CG-CE 4.46Å; M206-M295 HydrophobicContact SD-CE 4.2Å; M206-E299 HydrophobicContact CB-CG 4.45Å; M206-E299 HydrophobicContact CE-CB 3.64Å; M206-E299 HydrophobicContact CE-CG 4.03Å; M206-E299 HydrophobicContact CG-CB 4.05Å; M206-E299 HydrophobicContact CG-CG 3.75Å; M206-E299 HydrophobicContact SD-CB 4.4Å; M206-E299 HydrophobicContact SD-CG 4.16Å; M206-F475 PolarHBondContact O-N 3.34Å; M206-F475 HydrophobicContact SD-CB 4.05Å; M206-F475 HydrophobicContact SD-CD1 4.17Å; M206-F475 HydrophobicContact SD-CG 4.44Å
207V95.3Very high94.5Very high46 Ų4630.3 Ų30.328%0.27918%0.184SC..Hα-helixtrans-64.8-44.6173.9172.20000111.1D203 E204 V205 G210 S211D203-V207 WeakPolarHBondContact O-CG2 3.41Å; D203-V207 PolarHBondContact O-N 3.15Å; E204-V207 PolarHBondContact O-N 3.37Å; V205-V207 VanDerWaalsContact C-N 3.34Å; V205-V207 PolarHBondContact O-N 3.36Å; V207-G210 PolarHBondContact O-N 3.21Å; V207-S211 PolarHBondContact O-N 2.92Å
208L96.2Very high94.4Very high50 Ų5029.1 Ų29.126%0.26217%0.173SC..Hα-helixtrans-66.3-38.2178.7-71.6169.4000112.2E204 V205 G210 S211 P232 V233 K236E204-L208 WeakPolarHBondContact O-CB 3.47Å; E204-L208 VanDerWaalsContact O-CG 3.22Å; E204-L208 WeakPolarHBondContact O-CG 3.3Å; E204-L208 PolarHBondContact O-N 3.48Å; V205-L208 PolarHBondContact O-N 3.38Å; L208-G210 VanDerWaalsContact C-N 3.26Å; L208-G210 PolarHBondContact O-N 3.46Å; L208-S211 VanDerWaalsContact O-CB 3.26Å; L208-S211 WeakPolarHBondContact O-CB 3.45Å; L208-S211 PolarHBondContact O-N 2.81Å; L208-S211 PolarHBondContact O-OG 3.12Å; L208-P232 HydrophobicContact CD1-CB 4.14Å; L208-P232 HydrophobicContact CD2-CB 4.25Å; L208-V233 HydrophobicContact CB-CB 4.03Å; L208-V233 HydrophobicContact CB-CG2 4.33Å; L208-V233 HydrophobicContact CD1-CB 4.19Å; L208-K236 HydrophobicContact CD1-CG 4.44Å
209L94.8Very high94.2Very high11 Ų1130.8 Ų30.86%0.05818%0.183CC..Hα-helixtrans-60.2-35.3175.4-77.4177.5000112.2I104 F105 I108 V205 M206 S211 L214 Q215 V233 F475I104-L209 HydrophobicContact CG1-CD2 4.4Å; I104-L209 HydrophobicContact CG2-CD2 4.45Å; F105-L209 HydrophobicContact CE1-CD1 4.47Å; F105-L209 HydrophobicContact CE1-CD2 4.2Å; F105-L209 HydrophobicContact CZ-CD2 4.17Å; I108-L209 HydrophobicContact CD1-CD2 4.31Å; V205-L209 HydrophobicContact CG1-CD1 3.81Å; V205-L209 HydrophobicContact CG1-CG 4.05Å; V205-L209 WeakPolarHBondContact O-CB 3.41Å; V205-L209 VanDerWaalsContact O-CG 3.24Å; V205-L209 WeakPolarHBondContact O-CG 3.19Å; V205-L209 PolarHBondContact O-N 3.13Å; M206-L209 HydrophobicContact SD-CD1 4.12Å; L209-S211 VanDerWaalsContact C-N 3.34Å; L209-L214 HydrophobicContact CB-CD2 4.49Å; L209-L214 HydrophobicContact CD2-CD2 3.74Å; L209-Q215 PolarHBondContact O-NE2 2.92Å; L209-V233 HydrophobicContact CD2-CG2 4.2Å; L209-V233 HydrophobicContact CG-CG2 4.37Å; L209-F475 HydrophobicContact CB-CB 3.79Å; L209-F475 HydrophobicContact CB-CD2 3.97Å; L209-F475 HydrophobicContact CB-CG 4.13Å; L209-F475 HydrophobicContact CD1-CG 4.39Å
210G91.8Very high94Very high15 Ų1530.8 Ų30.816%0.15518%0.181CC..THydrogen-bonded Turntrans-84.42.5174.200000115.4M206 V207 L208M206-G210 PolarHBondContact O-N 2.95Å; V207-G210 PolarHBondContact O-N 3.21Å; L208-G210 VanDerWaalsContact C-N 3.26Å; L208-G210 PolarHBondContact O-N 3.46Å
211S92.8Very high93.8Very high23 Ų2331.9 Ų31.916%0.16118%0.183CC..  trans-78143.7-173.3740000112.9V207 L208 L209 G213 L214 Q215V207-S211 PolarHBondContact O-N 2.92Å; L208-S211 VanDerWaalsContact O-CB 3.26Å; L208-S211 WeakPolarHBondContact O-CB 3.45Å; L208-S211 PolarHBondContact O-N 2.81Å; L208-S211 PolarHBondContact O-OG 3.12Å; L209-S211 VanDerWaalsContact C-N 3.34Å; S211-G213 PolarHBondContact O-N 3.06Å; S211-L214 PolarHBondContact O-N 2.92Å; S211-L214 VanDerWaalsContact O-N 3.1Å; S211-L214 WeakPolarHBondContact OG-CB 3.49Å; S211-L214 PolarHBondContact OG-N 3.01Å; S211-Q215 WeakPolarHBondContact O-CG 3.47Å; S211-Q215 PolarHBondContact O-N 3.14Å; S211-Q215 VanDerWaalsContact O-N 3.07Å
212P89.6Confident93.5Very high50 Ų5039.9 Ų39.933%0.32521%0.212SC..Hα-helixtrans-57.4-34.6176.5-27.135.7000113.6L49 L214 Q215 L216L49-P212 HydrophobicContact CD1-CB 3.99Å; P212-L214 PolarHBondContact O-N 2.93Å; P212-Q215 PolarHBondContact O-N 2.98Å; P212-L216 PolarHBondContact O-N 3.2Å
213G91.8Very high93.2Very high26 Ų2642 Ų4227%0.26822%0.223SC..Hα-helixtrans-63.1-40.8177.200000112.3S211 L216 F217 L229S211-G213 PolarHBondContact O-N 3.06Å; G213-L216 WeakPolarHBondContact O-CB 3.5Å; G213-L216 PolarHBondContact O-N 3.15Å; G213-F217 PolarHBondContact O-N 3.25Å; G213-F217 VanDerWaalsContact O-N 3.1Å; G213-L229 VanDerWaalsContact O-CD1 3.24Å; G213-L229 WeakPolarHBondContact O-CD1 3.26Å
214L93.4Very high93Very high2 Ų239 Ų391%0.0121%0.207CC..Hα-helixtrans-74.3-33.6177.2-164.873.7000112.5I104 L209 S211 P212 L216 F217 N218 H230 V233I104-L214 HydrophobicContact CB-CD1 4.2Å; I104-L214 HydrophobicContact CB-CD2 4.38Å; I104-L214 HydrophobicContact CB-CG 4.44Å; I104-L214 HydrophobicContact CD1-CD1 4.03Å; I104-L214 HydrophobicContact CG1-CD1 3.97Å; I104-L214 HydrophobicContact CG1-CD2 4.06Å; I104-L214 HydrophobicContact CG1-CG 4.42Å; I104-L214 HydrophobicContact CG2-CD2 4.2Å; L209-L214 HydrophobicContact CB-CD2 4.49Å; L209-L214 HydrophobicContact CD2-CD2 3.74Å; S211-L214 PolarHBondContact O-N 2.92Å; S211-L214 VanDerWaalsContact O-N 3.1Å; S211-L214 WeakPolarHBondContact OG-CB 3.49Å; S211-L214 PolarHBondContact OG-N 3.01Å; P212-L214 PolarHBondContact O-N 2.93Å; L214-L216 VanDerWaalsContact C-N 3.29Å; L214-L216 PolarHBondContact O-N 3.28Å; L214-F217 HydrophobicContact CD1-CB 4.45Å; L214-F217 HydrophobicContact CD1-CD1 4Å; L214-F217 WeakPolarHBondContact O-CB 3.42Å; L214-F217 PolarHBondContact O-N 3.09Å; L214-N218 PolarHBondContact O-N 2.84Å; L214-N218 PolarHBondContact O-ND2 3.28Å; L214-H230 HydrophobicContact CD1-CB 4.38Å; L214-V233 HydrophobicContact CD1-CG1 3.77Å; L214-V233 HydrophobicContact CD2-CG1 4.36Å
215Q91Very high92.8Very high60 Ų6036.9 Ų36.928%0.2820%0.204SC..Hα-helixtrans-60.3-41.7171.3-64.4-59.3-25.100111.1L49 L209 S211 P212 F217 N218 V219L49-Q215 HydrophobicContact CD2-CB 4.4Å; L209-Q215 PolarHBondContact O-NE2 2.92Å; S211-Q215 WeakPolarHBondContact O-CG 3.47Å; S211-Q215 PolarHBondContact O-N 3.14Å; S211-Q215 VanDerWaalsContact O-N 3.07Å; P212-Q215 PolarHBondContact O-N 2.98Å; Q215-F217 VanDerWaalsContact C-N 3.33Å; Q215-F217 PolarHBondContact O-N 3.49Å; Q215-N218 PolarHBondContact O-N 3.44Å; Q215-V219 WeakPolarHBondContact O-CG2 3.24Å; Q215-V219 PolarHBondContact O-N 3.29Å; Q215-V219 VanDerWaalsContact O-N 3.11Å
216L90.8Very high92.7Very high62 Ų6242.6 Ų42.633%0.32523%0.234SC..Hα-helixtrans-61.3-41.2173.7-175.967.4000112P212 G213 L214 N218 V219 Y220 L229P212-L216 PolarHBondContact O-N 3.2Å; G213-L216 WeakPolarHBondContact O-CB 3.5Å; G213-L216 PolarHBondContact O-N 3.15Å; L214-L216 VanDerWaalsContact C-N 3.29Å; L214-L216 PolarHBondContact O-N 3.28Å; L216-N218 VanDerWaalsContact C-N 3.33Å; L216-N218 PolarHBondContact O-N 3.1Å; L216-V219 PolarHBondContact O-N 3.18Å; L216-Y220 HydrophobicContact CD1-CD2 3.76Å; L216-Y220 HydrophobicContact CD1-CE2 4.24Å; L216-Y220 PolarHBondContact O-N 2.91Å; L216-L229 HydrophobicContact CB-CD1 4.33Å; L216-L229 HydrophobicContact CD2-CD1 3.97Å; L216-L229 HydrophobicContact CG-CD1 4.43Å
217F94.1Very high92.6Very high8 Ų846.7 Ų46.74%0.03526%0.255CS..Hα-helixtrans-62.1-39.6174.4172.3-108.1000112.4A103 I104 L107 G213 L214 Q215 V219 Y220 P221 A225 L229 H230A103-F217 HydrophobicContact CB-CD1 4.45Å; A103-F217 HydrophobicContact CB-CE1 3.83Å; A103-F217 HydrophobicContact CB-CZ 4.04Å; I104-F217 HydrophobicContact CB-CD1 4.24Å; I104-F217 HydrophobicContact CB-CE1 4.11Å; I104-F217 HydrophobicContact CD1-CE1 4.36Å; L107-F217 HydrophobicContact CD1-CE1 4.09Å; L107-F217 HydrophobicContact CD1-CZ 3.68Å; G213-F217 PolarHBondContact O-N 3.25Å; G213-F217 VanDerWaalsContact O-N 3.1Å; L214-F217 HydrophobicContact CD1-CB 4.45Å; L214-F217 HydrophobicContact CD1-CD1 4Å; L214-F217 WeakPolarHBondContact O-CB 3.42Å; L214-F217 PolarHBondContact O-N 3.09Å; Q215-F217 VanDerWaalsContact C-N 3.33Å; Q215-F217 PolarHBondContact O-N 3.49Å; F217-V219 VanDerWaalsContact C-N 3.31Å; F217-V219 PolarHBondContact O-N 3.41Å; F217-Y220 CarbonylContact O-C 3.3Å; F217-Y220 VanDerWaalsContact O-C 3.3Å; F217-P221 HydrophobicContact CE2-CB 4.29Å; F217-P221 WeakPolarHBondContact CE2-O 3.42Å; F217-P221 WeakPolarHBondContact O-CA 3.37Å; F217-P221 VanDerWaalsContact O-N 3.11Å; F217-A225 HydrophobicContact CE2-CB 4.4Å; F217-L229 HydrophobicContact CB-CB 4.3Å; F217-H230 HydrophobicContact CD1-CB 3.81Å; F217-H230 HydrophobicContact CD2-CB 4.23Å; F217-H230 AromaticContact CD2-ND1 3.95Å; F217-H230 HydrophobicContact CE1-CB 3.67Å; F217-H230 HydrophobicContact CE2-CB 4.1Å; F217-H230 AromaticContact CE2-CG 3.98Å; F217-H230 AromaticContact CE2-ND1 3.58Å; F217-H230 HydrophobicContact CG-CB 4.08Å; F217-H230 HydrophobicContact CZ-CB 3.82Å; F217-H230 AromaticContact CZ-CG 3.93Å; F217-H230 AromaticContact CZ-ND1 3.98Å
218N93.1Very high92.6Very high28 Ų2848.5 Ų48.515%0.1526%0.261CS..Hα-helixtrans-65.6-34.8177.5-72.4-27.7000112.5I102 I104 L214 Q215 L216I102-N218 HydrophobicContact CG2-CB 4.17Å; I102-N218 WeakPolarHBondContact CG2-OD1 3.45Å; I104-N218 WeakPolarHBondContact CB-OD1 3.44Å; I104-N218 WeakPolarHBondContact CG2-OD1 3.36Å; I104-N218 PolarHBondContact N-OD1 3.16Å; L214-N218 PolarHBondContact O-N 2.84Å; L214-N218 PolarHBondContact O-ND2 3.28Å; Q215-N218 PolarHBondContact O-N 3.44Å; L216-N218 VanDerWaalsContact C-N 3.33Å; L216-N218 PolarHBondContact O-N 3.1Å
219V91.6Very high92.5Very high35 Ų3548.7 Ų48.721%0.21226%0.262CS..Hα-helixtrans-80-41.4177.4-178.80000112.3L44 Q215 L216 F217L44-V219 HydrophobicContact CD1-CG1 4.1Å; L44-V219 HydrophobicContact CD2-CG2 4.41Å; Q215-V219 WeakPolarHBondContact O-CG2 3.24Å; Q215-V219 PolarHBondContact O-N 3.29Å; Q215-V219 VanDerWaalsContact O-N 3.11Å; L216-V219 PolarHBondContact O-N 3.18Å; F217-V219 VanDerWaalsContact C-N 3.31Å; F217-V219 PolarHBondContact O-N 3.41Å
220Y92Very high92.5Very high28 Ų2849.5 Ų49.511%0.1127%0.265CS..  trans-126.582.3178.4-55.2-72.9000111.3L40 I41 L44 G72 L216 F217 W222 L223 G224L40-Y220 VanDerWaalsContact C-OH 3.29Å; L40-Y220 PolarHBondContact O-OH 3.21Å; I41-Y220 VanDerWaalsContact CA-OH 3.23Å; I41-Y220 WeakPolarHBondContact CA-OH 3.5Å; L44-Y220 HydrophobicContact CD1-CE2 4.27Å; G72-Y220 WeakPolarHBondContact CA-OH 3.46Å; L216-Y220 HydrophobicContact CD1-CD2 3.76Å; L216-Y220 HydrophobicContact CD1-CE2 4.24Å; L216-Y220 PolarHBondContact O-N 2.91Å; F217-Y220 CarbonylContact O-C 3.3Å; F217-Y220 VanDerWaalsContact O-C 3.3Å; Y220-W222 VanDerWaalsContact C-N 3.27Å; Y220-W222 PolarHBondContact O-N 2.99Å; Y220-L223 PolarHBondContact O-N 2.94Å; Y220-L223 VanDerWaalsContact O-N 3.14Å; Y220-G224 PolarHBondContact O-N 3.11Å
221P93Very high92.7Very high56 Ų5654.1 Ų54.136%0.36428%0.278SS..Hα-helixtrans-57.8-38.8-176.1-28.236.3000113.3A103 F217 A225A103-P221 HydrophobicContact CB-CB 4.1Å; A103-P221 HydrophobicContact CB-CG 3.76Å; F217-P221 HydrophobicContact CE2-CB 4.29Å; F217-P221 WeakPolarHBondContact CE2-O 3.42Å; F217-P221 WeakPolarHBondContact O-CA 3.37Å; F217-P221 VanDerWaalsContact O-N 3.11Å; P221-A225 WeakPolarHBondContact O-CB 3.38Å; P221-A225 PolarHBondContact O-N 2.88Å
222W91Very high92.9Very high177 Ų17755.9 Ų55.967%0.6729%0.289SS*.Hα-helixtrans-63.1-44.4178.866.1-92.4000112.2Y220 A225 L226Y220-W222 VanDerWaalsContact C-N 3.27Å; Y220-W222 PolarHBondContact O-N 2.99Å; W222-A225 PolarHBondContact O-N 3.21Å; W222-L226 PolarHBondContact O-N 3.09Å
223L90.3Very high93.2Very high48 Ų4853.6 Ų53.625%0.25127%0.274SS..Hα-helixtrans-71.3-46-17917961.7000110.6Y220 A225 L226 L227Y220-L223 PolarHBondContact O-N 2.94Å; Y220-L223 VanDerWaalsContact O-N 3.14Å; L223-A225 PolarHBondContact O-N 2.91Å; L223-L226 WeakPolarHBondContact O-CB 3.11Å; L223-L226 PolarHBondContact O-N 2.74Å; L223-L227 HydrophobicContact CD1-CD1 4.16Å; L223-L227 HydrophobicContact CD1-CG 4.39Å; L223-L227 HydrophobicContact CG-CD1 4.17Å; L223-L227 WeakPolarHBondContact O-CG 3.29Å; L223-L227 PolarHBondContact O-N 3.08Å
224G91.1Very high93.5Very high0 Ų054.3 Ų54.30%027%0.271CS..Hα-helixtrans-68.6-24.3176.900000112.8Y220 H228 L229Y220-G224 PolarHBondContact O-N 3.11Å; G224-H228 PolarHBondContact O-N 3.07Å; G224-L229 PolarHBondContact O-N 3.13Å
225A92.9Very high93.7Very high38 Ų3862 Ų6231%0.31430%0.3SS..Hα-helixtrans-70.2-44.4170.700000112F217 P221 W222 L223 L227 H228F217-A225 HydrophobicContact CE2-CB 4.4Å; P221-A225 WeakPolarHBondContact O-CB 3.38Å; P221-A225 PolarHBondContact O-N 2.88Å; W222-A225 PolarHBondContact O-N 3.21Å; L223-A225 PolarHBondContact O-N 2.91Å; A225-L227 VanDerWaalsContact C-N 3.33Å; A225-L227 PolarHBondContact O-N 2.79Å; A225-H228 PolarHBondContact O-N 3.17Å; A225-H228 VanDerWaalsContact O-N 3.13Å; A225-H228 PolarHBondContact O-ND1 3.34Å
226L94.3Very high94Very high121 Ų12161.5 Ų61.563%0.63430%0.297SS*.Hα-helixtrans-58.3-44173.5179.365.3000111.7W222 L223 H228W222-L226 PolarHBondContact O-N 3.09Å; L223-L226 WeakPolarHBondContact O-CB 3.11Å; L223-L226 PolarHBondContact O-N 2.74Å; L226-H228 VanDerWaalsContact C-N 3.27Å; L226-H228 PolarHBondContact O-N 3.01Å
227L94.6Very high94.3Very high96 Ų9658.7 Ų58.750%0.50328%0.282SS..THydrogen-bonded Turntrans-82.40.4178.1-64.1177.5000113.9L223 A225 L229L223-L227 HydrophobicContact CD1-CD1 4.16Å; L223-L227 HydrophobicContact CD1-CG 4.39Å; L223-L227 HydrophobicContact CG-CD1 4.17Å; L223-L227 WeakPolarHBondContact O-CG 3.29Å; L223-L227 PolarHBondContact O-N 3.08Å; A225-L227 VanDerWaalsContact C-N 3.33Å; A225-L227 PolarHBondContact O-N 2.79Å; L227-L229 HydrophobicContact CB-CD1 4.24Å; L227-L229 HydrophobicContact CB-CD2 4.07Å; L227-L229 HydrophobicContact CB-CG 3.79Å; L227-L229 HydrophobicContact CD1-CD1 4.29Å; L227-L229 PolarHBondContact O-N 3.04Å; L227-L229 VanDerWaalsContact O-N 3.16Å
228H94.7Very high94.5Very high84 Ų8461.4 Ų61.439%0.38930%0.295SS..THydrogen-bonded Turntrans56.727.2179.9-58.1-35.2000115.6G224 A225 L226 H230 R231G224-H228 PolarHBondContact O-N 3.07Å; A225-H228 PolarHBondContact O-N 3.17Å; A225-H228 VanDerWaalsContact O-N 3.13Å; A225-H228 PolarHBondContact O-ND1 3.34Å; L226-H228 VanDerWaalsContact C-N 3.27Å; L226-H228 PolarHBondContact O-N 3.01Å; H228-H230 PolarHBondContact O-N 3.2Å; H228-R231 HydrophobicContact CB-CG 4Å; H228-R231 VanDerWaalsContact CE1-CZ 3.43Å; H228-R231 PolarHBondContact CE1-NH2 2.9Å; H228-R231 VanDerWaalsContact CE1-NH2 3.27Å; H228-R231 PolarHBondContact ND1-NE 3.42Å; H228-R231 PolarHBondContact NE2-NH1 3.44Å; H228-R231 WeakPolarHBondContact O-CB 3.43Å; H228-R231 PolarHBondContact O-N 3.34Å; H228-R231 VanDerWaalsContact O-N 3.09Å
229L94.1Very high94.7Very high54 Ų5464.2 Ų64.228%0.28331%0.307SS..THydrogen-bonded Turntrans-64.3-25.2-174.8-58.5178.6000113.4G213 L216 F217 G224 L227G213-L229 VanDerWaalsContact O-CD1 3.24Å; G213-L229 WeakPolarHBondContact O-CD1 3.26Å; L216-L229 HydrophobicContact CB-CD1 4.33Å; L216-L229 HydrophobicContact CD2-CD1 3.97Å; L216-L229 HydrophobicContact CG-CD1 4.43Å; F217-L229 HydrophobicContact CB-CB 4.3Å; G224-L229 PolarHBondContact O-N 3.13Å; L227-L229 HydrophobicContact CB-CD1 4.24Å; L227-L229 HydrophobicContact CB-CD2 4.07Å; L227-L229 HydrophobicContact CB-CG 3.79Å; L227-L229 HydrophobicContact CD1-CD1 4.29Å; L227-L229 PolarHBondContact O-N 3.04Å; L227-L229 VanDerWaalsContact O-N 3.16Å
230H94.4Very high94.9Very high28 Ų2862.6 Ų62.613%0.1330%0.297CS..THydrogen-bonded Turntrans-84.2-18178.563.9-87.2000113.3I104 L214 F217 H228 V233 L234I104-H230 HydrophobicContact CD1-CB 4.22Å; L214-H230 HydrophobicContact CD1-CB 4.38Å; F217-H230 HydrophobicContact CD1-CB 3.81Å; F217-H230 HydrophobicContact CD2-CB 4.23Å; F217-H230 AromaticContact CD2-ND1 3.95Å; F217-H230 HydrophobicContact CE1-CB 3.67Å; F217-H230 HydrophobicContact CE2-CB 4.1Å; F217-H230 AromaticContact CE2-CG 3.98Å; F217-H230 AromaticContact CE2-ND1 3.58Å; F217-H230 HydrophobicContact CG-CB 4.08Å; F217-H230 HydrophobicContact CZ-CB 3.82Å; F217-H230 AromaticContact CZ-CG 3.93Å; F217-H230 AromaticContact CZ-ND1 3.98Å; H228-H230 PolarHBondContact O-N 3.2Å; H230-V233 WeakPolarHBondContact O-CG1 3.43Å; H230-V233 PolarHBondContact O-N 2.86Å; H230-L234 WeakPolarHBondContact O-CG 3.4Å; H230-L234 PolarHBondContact O-N 3.44Å; H230-L234 VanDerWaalsContact O-N 3.14Å
231R95.8Very high95.1Very high113 Ų11361.4 Ų61.443%0.42629%0.293SS..Hα-helixtrans-62.2-42.9-172.9-71.2-166.9177.2170.1-3.8114H228 V233 L234 R235H228-R231 HydrophobicContact CB-CG 4Å; H228-R231 VanDerWaalsContact CE1-CZ 3.43Å; H228-R231 PolarHBondContact CE1-NH2 2.9Å; H228-R231 VanDerWaalsContact CE1-NH2 3.27Å; H228-R231 PolarHBondContact ND1-NE 3.42Å; H228-R231 PolarHBondContact NE2-NH1 3.44Å; H228-R231 WeakPolarHBondContact O-CB 3.43Å; H228-R231 PolarHBondContact O-N 3.34Å; H228-R231 VanDerWaalsContact O-N 3.09Å; R231-V233 PolarHBondContact O-N 3.07Å; R231-L234 PolarHBondContact O-N 3.03Å; R231-R235 WeakPolarHBondContact O-CG 3.07Å; R231-R235 PolarHBondContact O-N 2.95Å
232P97.2Very high95.3Very high59 Ų5961.1 Ų61.138%0.38330%0.295SS..Hα-helixtrans-58.7-47.5-179.5-25.935.8000112.5L208 R235 K236L208-P232 HydrophobicContact CD1-CB 4.14Å; L208-P232 HydrophobicContact CD2-CB 4.25Å; P232-R235 PolarHBondContact O-N 3.13Å; P232-K236 WeakPolarHBondContact O-CG 3.5Å; P232-K236 PolarHBondContact O-N 2.95Å
233V96.9Very high95.4Very high2 Ų254.2 Ų54.21%0.01227%0.271CS..Hα-helixtrans-67.3-38.9-179.760.20000111.8I104 V205 L208 L209 L214 H230 R231 R235 K236 I237I104-V233 HydrophobicContact CD1-CG1 3.58Å; I104-V233 HydrophobicContact CG1-CG1 4.17Å; V205-V233 HydrophobicContact CG1-CG2 4.16Å; L208-V233 HydrophobicContact CB-CB 4.03Å; L208-V233 HydrophobicContact CB-CG2 4.33Å; L208-V233 HydrophobicContact CD1-CB 4.19Å; L209-V233 HydrophobicContact CD2-CG2 4.2Å; L209-V233 HydrophobicContact CG-CG2 4.37Å; L214-V233 HydrophobicContact CD1-CG1 3.77Å; L214-V233 HydrophobicContact CD2-CG1 4.36Å; H230-V233 WeakPolarHBondContact O-CG1 3.43Å; H230-V233 PolarHBondContact O-N 2.86Å; R231-V233 PolarHBondContact O-N 3.07Å; V233-R235 PolarHBondContact O-N 3.05Å; V233-K236 PolarHBondContact O-N 3.25Å; V233-I237 HydrophobicContact CG2-CG1 4.38Å; V233-I237 WeakPolarHBondContact O-CB 3.01Å; V233-I237 WeakPolarHBondContact O-CG1 3.49Å; V233-I237 PolarHBondContact O-N 2.67Å
234L97.1Very high95.6Very high41 Ų4152 Ų5222%0.21526%0.259CS..Hα-helixtrans-66.5-37.1177.7-69.3-170.2000112.8I104 L107 I108 H230 R231 K236 I237 E238I104-L234 HydrophobicContact CD1-CD2 3.78Å; I104-L234 HydrophobicContact CD1-CG 4.21Å; L107-L234 HydrophobicContact CB-CD1 4.19Å; L107-L234 HydrophobicContact CB-CD2 4.01Å; L107-L234 HydrophobicContact CD1-CD1 4.06Å; I108-L234 HydrophobicContact CG1-CD2 3.82Å; H230-L234 WeakPolarHBondContact O-CG 3.4Å; H230-L234 PolarHBondContact O-N 3.44Å; H230-L234 VanDerWaalsContact O-N 3.14Å; R231-L234 PolarHBondContact O-N 3.03Å; L234-K236 VanDerWaalsContact C-N 3.35Å; L234-I237 PolarHBondContact O-N 3.39Å; L234-E238 WeakPolarHBondContact O-CG 3.19Å; L234-E238 PolarHBondContact O-N 2.85Å
235R97.7Very high95.8Very high164 Ų16454.9 Ų54.962%0.61927%0.27SS*.Hα-helixtrans-59.2-48.4175-74.8174.2-179.2171.6-1.5111R231 P232 V233 I237 E238 E239R231-R235 WeakPolarHBondContact O-CG 3.07Å; R231-R235 PolarHBondContact O-N 2.95Å; P232-R235 PolarHBondContact O-N 3.13Å; V233-R235 PolarHBondContact O-N 3.05Å; R235-I237 PolarHBondContact O-N 2.61Å; R235-E238 PolarHBondContact O-N 3.22Å; R235-E238 VanDerWaalsContact O-N 3.16Å; R235-E239 WeakPolarHBondContact O-CG 3.47Å; R235-E239 PolarHBondContact O-N 3.23Å
236K97.9Very high95.8Very high49 Ų4957.4 Ų57.421%0.21328%0.281CS..Hα-helixtrans-64.7-40179.2-63.1-70.2167.91660112.4L201 E204 V205 L208 P232 V233 L234 E238 E239 V240L201-K236 HydrophobicContact CD2-CD 3.55Å; E204-K236 IonicContact OE1-NZ 3.51Å; E204-K236 WeakPolarHBondContact OE2-CD 3.37Å; E204-K236 WeakPolarHBondContact OE2-CE 3.49Å; E204-K236 IonicContact OE2-NZ 2.73Å; E204-K236 PolarHBondContact OE2-NZ 3.41Å; V205-K236 HydrophobicContact CG2-CB 3.58Å; L208-K236 HydrophobicContact CD1-CG 4.44Å; P232-K236 WeakPolarHBondContact O-CG 3.5Å; P232-K236 PolarHBondContact O-N 2.95Å; V233-K236 PolarHBondContact O-N 3.25Å; L234-K236 VanDerWaalsContact C-N 3.35Å; K236-E238 VanDerWaalsContact C-N 3.34Å; K236-E238 PolarHBondContact O-N 2.75Å; K236-E239 IonicContact NZ-OE2 3.37Å; K236-E239 WeakPolarHBondContact O-CB 3.44Å; K236-E239 PolarHBondContact O-N 3.26Å; K236-V240 WeakPolarHBondContact O-CG2 3.22Å; K236-V240 PolarHBondContact O-N 3.49Å
237I97.2Very high95.6Very high3 Ų352.8 Ų52.82%0.01526%0.257CS..Hα-helixtrans-61.3-41.1172.7-74.9-67.8000111.9I108 V205 V233 L234 R235 V240 R241 L291I108-I237 HydrophobicContact CD1-CD1 4.31Å; I108-I237 HydrophobicContact CD1-CG1 4.02Å; I108-I237 HydrophobicContact CG1-CG1 4.1Å; I108-I237 HydrophobicContact CG1-CG2 4.37Å; I108-I237 HydrophobicContact CG2-CD1 4.27Å; I108-I237 HydrophobicContact CG2-CG1 4.48Å; I108-I237 HydrophobicContact CG2-CG2 4.06Å; V205-I237 HydrophobicContact CG1-CD1 3.81Å; V205-I237 HydrophobicContact CG1-CG1 4.28Å; V205-I237 HydrophobicContact CG2-CD1 4.08Å; V205-I237 HydrophobicContact CG2-CG1 4.16Å; V233-I237 HydrophobicContact CG2-CG1 4.38Å; V233-I237 WeakPolarHBondContact O-CB 3.01Å; V233-I237 WeakPolarHBondContact O-CG1 3.49Å; V233-I237 PolarHBondContact O-N 2.67Å; L234-I237 PolarHBondContact O-N 3.39Å; R235-I237 PolarHBondContact O-N 2.61Å; I237-V240 PolarHBondContact O-N 3.04Å; I237-R241 WeakPolarHBondContact O-CB 3.24Å; I237-R241 PolarHBondContact O-N 3.44Å; I237-L291 HydrophobicContact CD1-CD1 4.41Å; I237-L291 HydrophobicContact CD1-CD2 4.42Å; I237-L291 HydrophobicContact CG2-CD2 4.2Å
238E97Very high95.3Very high66 Ų6648.8 Ų48.831%0.30824%0.236SC..Hα-helixtrans-70-32.6177-71.1-57.9137.400112.4R110 L234 R235 K236 R241 A242 R245R110-E238 IonicContact NH2-OE1 3.84Å; L234-E238 WeakPolarHBondContact O-CG 3.19Å; L234-E238 PolarHBondContact O-N 2.85Å; R235-E238 PolarHBondContact O-N 3.22Å; R235-E238 VanDerWaalsContact O-N 3.16Å; K236-E238 VanDerWaalsContact C-N 3.34Å; K236-E238 PolarHBondContact O-N 2.75Å; E238-R241 PolarHBondContact O-N 2.89Å; E238-R241 IonicContact OE1-CZ 2.65Å; E238-R241 IonicContact OE1-NE 2.63Å; E238-R241 PolarHBondContact OE1-NE 2.62Å; E238-R241 IonicContact OE1-NH2 3.2Å; E238-R241 WeakPolarHBondContact OE2-CD 3.42Å; E238-R241 IonicContact OE2-NE 3.05Å; E238-A242 WeakPolarHBondContact O-CB 3.43Å; E238-A242 PolarHBondContact O-N 3.45Å; E238-R245 IonicContact OE2-NH1 3.98Å
239E97.6Very high95.1Very high87 Ų8749.7 Ų49.741%0.40724%0.241SC..Hα-helixtrans-61.6-46.6169.8-70.8169.8-131.600111.2L201 R235 K236 R241 A242 I243L201-E239 HydrophobicContact CD1-CB 3.93Å; L201-E239 HydrophobicContact CD2-CB 4.1Å; L201-E239 VanDerWaalsContact CD2-OE2 3.28Å; L201-E239 WeakPolarHBondContact CD2-OE2 3.34Å; R235-E239 WeakPolarHBondContact O-CG 3.47Å; R235-E239 PolarHBondContact O-N 3.23Å; K236-E239 IonicContact NZ-OE2 3.37Å; K236-E239 WeakPolarHBondContact O-CB 3.44Å; K236-E239 PolarHBondContact O-N 3.26Å; E239-R241 VanDerWaalsContact C-N 3.34Å; E239-R241 PolarHBondContact O-N 3.05Å; E239-A242 PolarHBondContact O-N 3.49Å; E239-I243 PolarHBondContact O-N 3.39Å
240V96.9Very high94.9Very high0 Ų050.1 Ų50.10%025%0.252CS..Hα-helixtrans-59.6-47.4173177.20000110L198 L201 K236 I237 A242 I243 L244 L291L198-V240 HydrophobicContact CD2-CG1 4.19Å; L201-V240 HydrophobicContact CB-CG2 3.6Å; L201-V240 HydrophobicContact CD1-CG2 3.93Å; L201-V240 HydrophobicContact CG-CG2 4.36Å; K236-V240 WeakPolarHBondContact O-CG2 3.22Å; K236-V240 PolarHBondContact O-N 3.49Å; I237-V240 PolarHBondContact O-N 3.04Å; V240-A242 VanDerWaalsContact C-N 3.29Å; V240-A242 PolarHBondContact O-N 3.05Å; V240-I243 PolarHBondContact O-N 2.96Å; V240-I243 VanDerWaalsContact O-N 3.13Å; V240-L244 HydrophobicContact CG1-CD1 4.05Å; V240-L244 HydrophobicContact CG1-CG 4.15Å; V240-L244 WeakPolarHBondContact O-CG 3.14Å; V240-L244 PolarHBondContact O-N 3Å; V240-L291 HydrophobicContact CB-CD1 4.32Å; V240-L291 HydrophobicContact CG1-CD1 3.58Å
241R95.8Very high94.6Very high4 Ų452.5 Ų52.52%0.01526%0.26CS..Hα-helixtrans-58.5-40.6-179.6-162.7-170.9-65.8-87.6-6112I108 I237 E238 E239 L244 R245 V287I108-R241 PolarHBondContact O-NH2 3.39Å; I237-R241 WeakPolarHBondContact O-CB 3.24Å; I237-R241 PolarHBondContact O-N 3.44Å; E238-R241 PolarHBondContact O-N 2.89Å; E238-R241 IonicContact OE1-CZ 2.65Å; E238-R241 IonicContact OE1-NE 2.63Å; E238-R241 PolarHBondContact OE1-NE 2.62Å; E238-R241 IonicContact OE1-NH2 3.2Å; E238-R241 WeakPolarHBondContact OE2-CD 3.42Å; E238-R241 IonicContact OE2-NE 3.05Å; E239-R241 VanDerWaalsContact C-N 3.34Å; E239-R241 PolarHBondContact O-N 3.05Å; R241-L244 PolarHBondContact O-N 3.25Å; R241-R245 VanDerWaalsContact CD-NH1 3.27Å; R241-R245 WeakPolarHBondContact O-CG 3.46Å; R241-R245 PolarHBondContact O-N 3.43Å; R241-V287 HydrophobicContact CG-CG1 3.4Å
242A96.1Very high94.2Very high49 Ų4950.4 Ų50.441%0.40525%0.252SS..Hα-helixtrans-60-47.3176.800000111E238 E239 V240 L244 R245 T246E238-A242 WeakPolarHBondContact O-CB 3.43Å; E238-A242 PolarHBondContact O-N 3.45Å; E239-A242 PolarHBondContact O-N 3.49Å; V240-A242 VanDerWaalsContact C-N 3.29Å; V240-A242 PolarHBondContact O-N 3.05Å; A242-L244 VanDerWaalsContact C-N 3.35Å; A242-L244 PolarHBondContact O-N 3.27Å; A242-R245 PolarHBondContact O-N 2.86Å; A242-T246 PolarHBondContact O-N 2.74Å; A242-T246 PolarHBondContact O-OG1 3.42Å; A242-T246 VanDerWaalsContact O-OG1 3.1Å
243I95Very high93.6Very high33 Ų3352.2 Ų52.217%0.16926%0.264CS..Hα-helixtrans-60.3-45.6175.8-61.9167.7000110.7V194 L198 L201 E239 V240 R245 T246 L247V194-I243 HydrophobicContact CG1-CG2 3.85Å; L198-I243 HydrophobicContact CD1-CG2 4.02Å; L198-I243 HydrophobicContact CD2-CB 4.09Å; L198-I243 HydrophobicContact CD2-CD1 3.83Å; L198-I243 HydrophobicContact CD2-CG2 3.83Å; L198-I243 HydrophobicContact CG-CD1 4.14Å; L198-I243 HydrophobicContact CG-CG2 4Å; L201-I243 HydrophobicContact CD1-CD1 3.89Å; E239-I243 PolarHBondContact O-N 3.39Å; V240-I243 PolarHBondContact O-N 2.96Å; V240-I243 VanDerWaalsContact O-N 3.13Å; I243-R245 PolarHBondContact O-N 3.34Å; I243-T246 PolarHBondContact O-N 3.25Å; I243-L247 HydrophobicContact CG2-CD1 4.09Å; I243-L247 HydrophobicContact CG2-CG 4.48Å; I243-L247 WeakPolarHBondContact O-CG 3.16Å; I243-L247 PolarHBondContact O-N 3.08Å
244L93.8Very high93Very high0 Ų058.3 Ų58.30%029%0.292CS..Hα-helixtrans-62.4-42.3179.5-62.9-176.2000112.3F184 V240 R241 A242 L247 L248 T290 L291 V294F184-L244 HydrophobicContact CE1-CD2 4.13Å; F184-L244 HydrophobicContact CZ-CD2 3.65Å; V240-L244 HydrophobicContact CG1-CD1 4.05Å; V240-L244 HydrophobicContact CG1-CG 4.15Å; V240-L244 WeakPolarHBondContact O-CG 3.14Å; V240-L244 PolarHBondContact O-N 3Å; R241-L244 PolarHBondContact O-N 3.25Å; A242-L244 VanDerWaalsContact C-N 3.35Å; A242-L244 PolarHBondContact O-N 3.27Å; L244-L247 PolarHBondContact O-N 3.1Å; L244-L248 WeakPolarHBondContact O-CB 3.41Å; L244-L248 VanDerWaalsContact O-CG 3.26Å; L244-L248 WeakPolarHBondContact O-CG 3.26Å; L244-L248 PolarHBondContact O-N 3.43Å; L244-T290 HydrophobicContact CD1-CG2 4.27Å; L244-T290 HydrophobicContact CD2-CG2 4.2Å; L244-L291 HydrophobicContact CD1-CB 3.85Å; L244-L291 HydrophobicContact CD1-CD1 4.04Å; L244-V294 HydrophobicContact CD2-CG2 3.96Å
245R93.9Very high92.4Very high62 Ų6256.7 Ų56.723%0.23428%0.283CS..Hα-helixtrans-60.1-47.6174.8-76.3-172.4-176.1117.6-6111.1E238 R241 A242 I243 L247 L248 E249 V287E238-R245 IonicContact OE2-NH1 3.98Å; R241-R245 VanDerWaalsContact CD-NH1 3.27Å; R241-R245 WeakPolarHBondContact O-CG 3.46Å; R241-R245 PolarHBondContact O-N 3.43Å; A242-R245 PolarHBondContact O-N 2.86Å; I243-R245 PolarHBondContact O-N 3.34Å; R245-L247 VanDerWaalsContact C-N 3.28Å; R245-L247 PolarHBondContact O-N 2.64Å; R245-L248 PolarHBondContact O-N 3.37Å; R245-L248 VanDerWaalsContact O-N 3.17Å; R245-E249 WeakPolarHBondContact O-CB 3.36Å; R245-E249 VanDerWaalsContact O-CG 3.31Å; R245-E249 WeakPolarHBondContact O-CG 3.48Å; R245-E249 PolarHBondContact O-N 2.93Å; R245-V287 HydrophobicContact CG-CG2 3.98Å
246T93Very high91.5Very high90 Ų9057.2 Ų57.255%0.55229%0.285SS*.Hα-helixtrans-58.1-41177.1-57.10000112.1A242 I243 A250A242-T246 PolarHBondContact O-N 2.74Å; A242-T246 PolarHBondContact O-OG1 3.42Å; A242-T246 VanDerWaalsContact O-OG1 3.1Å; I243-T246 PolarHBondContact O-N 3.25Å; T246-A250 VanDerWaalsContact O-CB 3.29Å; T246-A250 WeakPolarHBondContact O-CB 3.42Å; T246-A250 PolarHBondContact O-N 3.27Å
247L90.7Very high90.5Very high24 Ų2460 Ų6013%0.12631%0.308CS..Hα-helixtrans-68.1-40.7177.2-68.5173.4000112.6F184 F188 I243 L244 R245 R251F184-L247 HydrophobicContact CD1-CB 4.2Å; F184-L247 HydrophobicContact CD1-CD1 4.04Å; F184-L247 HydrophobicContact CD2-CD1 4.33Å; F184-L247 HydrophobicContact CE1-CB 4.17Å; F184-L247 HydrophobicContact CE1-CD1 3.72Å; F184-L247 HydrophobicContact CE2-CD1 4.02Å; F184-L247 HydrophobicContact CG-CD1 4.33Å; F184-L247 HydrophobicContact CZ-CD1 3.71Å; F188-L247 HydrophobicContact CZ-CD2 4.49Å; I243-L247 HydrophobicContact CG2-CD1 4.09Å; I243-L247 HydrophobicContact CG2-CG 4.48Å; I243-L247 WeakPolarHBondContact O-CG 3.16Å; I243-L247 PolarHBondContact O-N 3.08Å; L244-L247 PolarHBondContact O-N 3.1Å; R245-L247 VanDerWaalsContact C-N 3.28Å; R245-L247 PolarHBondContact O-N 2.64Å; L247-R251 PolarHBondContact O-N 2.96Å
248L89.4Confident89.4Confident12 Ų1263.4 Ų63.46%0.06334%0.344CS..Hα-helixtrans-63.7-49.3175.7-75.1165.6000111.3L244 R245 A250 R251 R252 V265 V287L244-L248 WeakPolarHBondContact O-CB 3.41Å; L244-L248 VanDerWaalsContact O-CG 3.26Å; L244-L248 WeakPolarHBondContact O-CG 3.26Å; L244-L248 PolarHBondContact O-N 3.43Å; R245-L248 PolarHBondContact O-N 3.37Å; R245-L248 VanDerWaalsContact O-N 3.17Å; L248-A250 PolarHBondContact O-N 3.48Å; L248-R251 PolarHBondContact O-N 2.79Å; L248-R251 VanDerWaalsContact O-N 3.07Å; L248-R252 PolarHBondContact O-N 2.98Å; L248-V265 HydrophobicContact CD2-CB 4.09Å; L248-V265 HydrophobicContact CD2-CG1 3.52Å; L248-V265 HydrophobicContact CD2-CG2 3.61Å; L248-V287 HydrophobicContact CD1-CB 4.44Å; L248-V287 HydrophobicContact CD1-CG2 3.56Å
249E89.9Confident88.8Confident104 Ų10463.2 Ų63.249%0.48635%0.345SS..Hα-helixtrans-62.7-41.2179.8-73.8173.7176.700112R245 R251 R252 P253R245-E249 WeakPolarHBondContact O-CB 3.36Å; R245-E249 VanDerWaalsContact O-CG 3.31Å; R245-E249 WeakPolarHBondContact O-CG 3.48Å; R245-E249 PolarHBondContact O-N 2.93Å; E249-R251 PolarHBondContact O-N 3.31Å; E249-R252 PolarHBondContact O-N 2.93Å; E249-P253 WeakPolarHBondContact O-CD 3.37Å
250A89.5Confident88.1Confident62 Ų6263.9 Ų63.951%0.51236%0.358SS..Hα-helixtrans-62.2-28.717500000112.5T246 L248 H254T246-A250 VanDerWaalsContact O-CB 3.29Å; T246-A250 WeakPolarHBondContact O-CB 3.42Å; T246-A250 PolarHBondContact O-N 3.27Å; L248-A250 PolarHBondContact O-N 3.48Å; A250-H254 PolarHBondContact O-ND1 3.45Å; A250-H254 VanDerWaalsContact O-ND1 3.14Å
251R88.5Confident87.7Confident78 Ų7866.2 Ų66.229%0.29437%0.372SS..Hα-helixtrans-85-33.7-179.8-168.258.9170.6172.42.8113.2L247 L248 E249 H254 V265 D266 I269L247-R251 PolarHBondContact O-N 2.96Å; L248-R251 PolarHBondContact O-N 2.79Å; L248-R251 VanDerWaalsContact O-N 3.07Å; E249-R251 PolarHBondContact O-N 3.31Å; R251-H254 PolarHBondContact O-N 3.03Å; R251-V265 HydrophobicContact CB-CG1 4.11Å; R251-V265 HydrophobicContact CG-CG1 3.99Å; R251-D266 WeakPolarHBondContact CG-OD1 3.43Å; R251-D266 IonicContact CZ-OD1 3.85Å; R251-D266 IonicContact CZ-OD2 3.57Å; R251-D266 IonicContact NE-OD1 3.72Å; R251-D266 PolarHBondContact NE-OD1 3.2Å; R251-D266 IonicContact NE-OD2 3.62Å; R251-D266 IonicContact NH2-OD1 2.68Å; R251-D266 PolarHBondContact NH2-OD1 3.46Å; R251-D266 IonicContact NH2-OD2 2.74Å; R251-D266 PolarHBondContact NH2-OD2 3.13Å; R251-I269 HydrophobicContact CB-CD1 3.98Å; R251-I269 HydrophobicContact CG-CD1 3.96Å
252R87Confident87.3Confident69 Ų6969.2 Ų69.226%0.2639%0.392SS..G310 helixtrans-48-48.5-176.3-86.5-177.5172.2179.6-1.1115L248 E249 H254 M255 I269 E272 E283L248-R252 PolarHBondContact O-N 2.98Å; E249-R252 PolarHBondContact O-N 2.93Å; R252-H254 PolarHBondContact O-N 2.81Å; R252-H254 VanDerWaalsContact O-N 3.13Å; R252-M255 PolarHBondContact O-N 3.02Å; R252-I269 HydrophobicContact CG-CD1 3.94Å; R252-I269 HydrophobicContact CG-CG1 4.05Å; R252-I269 HydrophobicContact CG-CG2 4.2Å; R252-E272 IonicContact CZ-OE1 2.79Å; R252-E272 IonicContact CZ-OE2 2.81Å; R252-E272 IonicContact NE-OE2 3.24Å; R252-E272 IonicContact NH2-OE1 4Å; R252-E272 PolarHBondContact NH2-OE1 2.94Å; R252-E272 IonicContact NH2-OE2 3.44Å; R252-E272 PolarHBondContact NH2-OE2 3.31Å; R252-E283 IonicContact CZ-OE2 3.17Å; R252-E283 IonicContact NH1-OE2 2.89Å; R252-E283 PolarHBondContact NH1-OE2 2.96Å; R252-E283 IonicContact NH2-OE2 2.69Å; R252-E283 PolarHBondContact NH2-OE2 2.98Å
253P85.8Confident87.2Confident97 Ų9766.9 Ų66.963%0.6337%0.373SS*.G310 helixtrans-63.6-20.2-178.4-23.733.6000114.5E249E249-P253 WeakPolarHBondContact O-CD 3.37Å
254H83.2Confident87.1Confident130 Ų13065.3 Ų65.360%0.60237%0.365SS*.G310 helixtrans-99.29.5-175.3-56.295.4000112.8A250 R251 R252A250-H254 PolarHBondContact O-ND1 3.45Å; A250-H254 VanDerWaalsContact O-ND1 3.14Å; R251-H254 PolarHBondContact O-N 3.03Å; R252-H254 PolarHBondContact O-N 2.81Å; R252-H254 VanDerWaalsContact O-N 3.13Å
255M85.2Confident87.1Confident7 Ų765.4 Ų65.43%0.03437%0.366CS..  trans-127.4109.1-177.6-169.558.148.900110R252 D259 D266 I269 Q270 Q273R252-M255 PolarHBondContact O-N 3.02Å; M255-D259 HydrophobicContact SD-CB 4Å; M255-D266 HydrophobicContact CE-CB 3.42Å; M255-D266 VanDerWaalsContact CE-CB 3.42Å; M255-D266 WeakPolarHBondContact CE-OD1 3.36Å; M255-D266 HydrophobicContact SD-CB 4.05Å; M255-I269 HydrophobicContact CB-CG2 3.87Å; M255-I269 HydrophobicContact CG-CB 4.19Å; M255-I269 HydrophobicContact CG-CG2 3.86Å; M255-Q270 HydrophobicContact CG-CG 3.75Å; M255-Q270 HydrophobicContact SD-CG 3.78Å; M255-Q270 PolarHBondContact SD-NE2 2.79Å; M255-Q273 PolarHBondContact O-NE2 2.83Å; M255-Q273 PolarHBondContact O-OE1 2.8Å
256R78.3Confident87Confident176 Ų17662.5 Ų62.566%0.66436%0.355SS*.  trans-108.6158.5174.4-60.5179.7178.9179.70.1110.8G258 D259R256-G258 PolarHBondContact O-N 3.07Å; R256-D259 WeakPolarHBondContact CB-OD2 3.43Å; R256-D259 PolarHBondContact N-OD2 3.22Å; R256-D259 WeakPolarHBondContact O-CB 3.46Å; R256-D259 PolarHBondContact O-N 2.79Å; R256-D259 VanDerWaalsContact O-N 3.12Å
257P76.7Confident86.9Confident106 Ų10658.7 Ų58.769%0.68833%0.332SS*.THydrogen-bonded Turntrans-55.2123.2171.4-25.435000111.1
258G75.1Confident86.8Confident76 Ų7657.6 Ų57.678%0.78433%0.326SS*.THydrogen-bonded Turntrans94.6-7.2179.700000115.7R256R256-G258 PolarHBondContact O-N 3.07Å
259D83.2Confident86.7Confident61 Ų6157.1 Ų57.133%0.32632%0.324SS..SBendtrans-64.9152.2172.6-75.1-20.4000111.2M255 R256 V261 Q270M255-D259 HydrophobicContact SD-CB 4Å; R256-D259 WeakPolarHBondContact CB-OD2 3.43Å; R256-D259 PolarHBondContact N-OD2 3.22Å; R256-D259 WeakPolarHBondContact O-CB 3.46Å; R256-D259 PolarHBondContact O-N 2.79Å; R256-D259 VanDerWaalsContact O-N 3.12Å; D259-V261 PolarHBondContact O-N 3.42Å; D259-Q270 PolarHBondContact O-NE2 2.95Å
260P84.1Confident86.6Confident102 Ų10254.4 Ų54.466%0.66231%0.312SS*.  trans-64.4127.3176.825.8-33000111.2C262P260-C262 PolarHBondContact O-N 3.4Å
261V87.9Confident86.4Confident49 Ų4954 Ų5430%0.29730%0.299SS..  trans-78.4109.6176.3174.40000109.6L136 D259 S263 D266 A267 Q270L136-V261 HydrophobicContact CD2-CG1 4.32Å; D259-V261 PolarHBondContact O-N 3.42Å; V261-S263 WeakPolarHBondContact CG1-O 3.27Å; V261-D266 HydrophobicContact CG1-CB 4.11Å; V261-A267 HydrophobicContact CG1-CB 3.75Å; V261-Q270 VanDerWaalsContact CG2-OE1 3.23Å
262C88.1Confident86.1Confident67 Ų6753 Ų5345%0.45330%0.297SS..  trans-106.4-9.7-178.6-66.70000113.2L136 P260 D266L136-C262 VanDerWaalsContact CD2-C 3.45Å; P260-C262 PolarHBondContact O-N 3.4Å; C262-D266 PolarHBondContact N-OD2 3.4Å
263S93.3Very high85.6Confident0 Ų053.9 Ų53.90%031%0.305CS..SBendtrans-146.2165.8-179.183.20000112.9L182 L183 V261 V265 D266 A267L182-S263 WeakPolarHBondContact O-CA 3.49Å; L183-S263 WeakPolarHBondContact O-CB 3.29Å; L183-S263 PolarHBondContact O-OG 2.89Å; V261-S263 WeakPolarHBondContact CG1-O 3.27Å; S263-V265 VanDerWaalsContact C-N 3.3Å; S263-V265 PolarHBondContact OG-N 3.45Å; S263-D266 PolarHBondContact N-OD2 3.16Å; S263-D266 VanDerWaalsContact N-OD2 3.13Å; S263-D266 WeakPolarHBondContact O-CB 3.24Å; S263-D266 PolarHBondContact O-N 3.07Å; S263-D266 PolarHBondContact OG-N 2.76Å; S263-D266 PolarHBondContact OG-OD1 2.75Å; S263-D266 PolarHBondContact OG-OD2 2.99Å; S263-A267 PolarHBondContact O-N 2.8Å
264Y93.5Very high85.1Confident0 Ų051.6 Ų51.60%030%0.299CS..Hα-helixtrans-63.8-38.3174-176.9-110.1000112.1F128 T129 A132 L182 L183 D266 A267 L268 M293F128-Y264 HydrophobicContact CD1-CE2 4.21Å; F128-Y264 HydrophobicContact CE1-CD2 4.42Å; F128-Y264 AromaticContact CE1-CE2 3.62Å; F128-Y264 HydrophobicContact CE1-CE2 3.62Å; F128-Y264 AromaticContact CE1-CZ 3.87Å; T129-Y264 HydrophobicContact CG2-CE2 3.84Å; T129-Y264 PolarHBondContact OG1-OH 2.82Å; A132-Y264 HydrophobicContact CB-CD2 3.83Å; A132-Y264 HydrophobicContact CB-CE2 4.01Å; L182-Y264 PolarHBondContact O-N 2.75Å; L183-Y264 HydrophobicContact CD2-CD1 3.67Å; L183-Y264 HydrophobicContact CD2-CG 3.78Å; L183-Y264 PolarHBondContact O-N 3.43Å; Y264-D266 VanDerWaalsContact C-N 3.32Å; Y264-A267 WeakPolarHBondContact O-CB 3.24Å; Y264-A267 PolarHBondContact O-N 3.26Å; Y264-L268 HydrophobicContact CD1-CD1 3.78Å; Y264-L268 HydrophobicContact CD1-CG 4.39Å; Y264-L268 HydrophobicContact CE1-CD1 3.39Å; Y264-L268 HydrophobicContact CE1-CG 4.02Å; Y264-L268 PolarHBondContact O-N 3.07Å; Y264-M293 HydrophobicContact CD1-CG 4.41Å; Y264-M293 HydrophobicContact CE1-CG 3.89Å
265V92.3Very high84.2Confident2 Ų252 Ų521%0.01231%0.305CS..Hα-helixtrans-62.3-40.3174.7158.80000111.2L183 F184 L248 R251 S263 A267 L268 I269 T290L183-V265 VanDerWaalsContact O-CB 3.3Å; L183-V265 WeakPolarHBondContact O-CB 3.45Å; L183-V265 VanDerWaalsContact O-CG2 3.26Å; L183-V265 WeakPolarHBondContact O-CG2 3.26Å; L183-V265 PolarHBondContact O-N 2.79Å; F184-V265 HydrophobicContact CD1-CG2 3.95Å; F184-V265 HydrophobicContact CE1-CG2 4.2Å; L248-V265 HydrophobicContact CD2-CB 4.09Å; L248-V265 HydrophobicContact CD2-CG1 3.52Å; L248-V265 HydrophobicContact CD2-CG2 3.61Å; R251-V265 HydrophobicContact CB-CG1 4.11Å; R251-V265 HydrophobicContact CG-CG1 3.99Å; S263-V265 VanDerWaalsContact C-N 3.3Å; S263-V265 PolarHBondContact OG-N 3.45Å; V265-A267 VanDerWaalsContact C-N 3.31Å; V265-A267 PolarHBondContact O-N 2.98Å; V265-L268 PolarHBondContact O-N 3.45Å; V265-L268 VanDerWaalsContact O-N 3.16Å; V265-I269 HydrophobicContact CG1-CD1 3.56Å; V265-I269 HydrophobicContact CG1-CG1 4.3Å; V265-I269 VanDerWaalsContact O-CG1 3.3Å; V265-I269 WeakPolarHBondContact O-CG1 3.46Å; V265-I269 PolarHBondContact O-N 3.37Å; V265-T290 HydrophobicContact CG2-CG2 4.29Å
266D91.6Very high83.5Confident0 Ų053.1 Ų53.10%031%0.311CS..Hα-helixtrans-59.4-46.4176.7-62.2-4.7000110.5R251 M255 V261 C262 S263 Y264 L268 I269 Q270R251-D266 WeakPolarHBondContact CG-OD1 3.43Å; R251-D266 IonicContact CZ-OD1 3.85Å; R251-D266 IonicContact CZ-OD2 3.57Å; R251-D266 IonicContact NE-OD1 3.72Å; R251-D266 PolarHBondContact NE-OD1 3.2Å; R251-D266 IonicContact NE-OD2 3.62Å; R251-D266 IonicContact NH2-OD1 2.68Å; R251-D266 PolarHBondContact NH2-OD1 3.46Å; R251-D266 IonicContact NH2-OD2 2.74Å; R251-D266 PolarHBondContact NH2-OD2 3.13Å; M255-D266 HydrophobicContact CE-CB 3.42Å; M255-D266 VanDerWaalsContact CE-CB 3.42Å; M255-D266 WeakPolarHBondContact CE-OD1 3.36Å; M255-D266 HydrophobicContact SD-CB 4.05Å; V261-D266 HydrophobicContact CG1-CB 4.11Å; C262-D266 PolarHBondContact N-OD2 3.4Å; S263-D266 PolarHBondContact N-OD2 3.16Å; S263-D266 VanDerWaalsContact N-OD2 3.13Å; S263-D266 WeakPolarHBondContact O-CB 3.24Å; S263-D266 PolarHBondContact O-N 3.07Å; S263-D266 PolarHBondContact OG-N 2.76Å; S263-D266 PolarHBondContact OG-OD1 2.75Å; S263-D266 PolarHBondContact OG-OD2 2.99Å; Y264-D266 VanDerWaalsContact C-N 3.32Å; D266-L268 VanDerWaalsContact C-N 3.3Å; D266-L268 PolarHBondContact O-N 2.96Å; D266-I269 PolarHBondContact O-N 2.75Å; D266-Q270 WeakPolarHBondContact O-CG 3.18Å; D266-Q270 PolarHBondContact O-N 2.94Å
267A91.2Very high82.7Confident10 Ų1050 Ų508%0.08331%0.314CS..Hα-helixtrans-61.1-40.4177.300000111.6F128 A132 V261 S263 Y264 V265 Q271F128-A267 HydrophobicContact CE2-CB 4.15Å; F128-A267 WeakPolarHBondContact CE2-O 3.15Å; F128-A267 VanDerWaalsContact CZ-C 3.47Å; F128-A267 HydrophobicContact CZ-CB 3.65Å; A132-A267 HydrophobicContact CB-CB 3.98Å; V261-A267 HydrophobicContact CG1-CB 3.75Å; S263-A267 PolarHBondContact O-N 2.8Å; Y264-A267 WeakPolarHBondContact O-CB 3.24Å; Y264-A267 PolarHBondContact O-N 3.26Å; V265-A267 VanDerWaalsContact C-N 3.31Å; V265-A267 PolarHBondContact O-N 2.98Å; A267-Q271 WeakPolarHBondContact O-CB 3.47Å; A267-Q271 PolarHBondContact O-N 3.23Å
268L89.4Confident82.2Confident1 Ų151.9 Ų51.91%0.00531%0.313CS..Hα-helixtrans-66.4-44.9179.1-82.5172.7000111.2F128 Y264 V265 D266 Q270 Q271 E272 F281 A286 T290F128-L268 HydrophobicContact CD1-CD2 3.99Å; F128-L268 HydrophobicContact CE1-CD2 3.3Å; F128-L268 HydrophobicContact CE1-CG 3.64Å; F128-L268 HydrophobicContact CZ-CB 4.38Å; F128-L268 HydrophobicContact CZ-CD2 3.75Å; F128-L268 HydrophobicContact CZ-CG 3.87Å; Y264-L268 HydrophobicContact CD1-CD1 3.78Å; Y264-L268 HydrophobicContact CD1-CG 4.39Å; Y264-L268 HydrophobicContact CE1-CD1 3.39Å; Y264-L268 HydrophobicContact CE1-CG 4.02Å; Y264-L268 PolarHBondContact O-N 3.07Å; V265-L268 PolarHBondContact O-N 3.45Å; V265-L268 VanDerWaalsContact O-N 3.16Å; D266-L268 VanDerWaalsContact C-N 3.3Å; D266-L268 PolarHBondContact O-N 2.96Å; L268-Q270 VanDerWaalsContact C-N 3.34Å; L268-Q270 PolarHBondContact O-N 3.39Å; L268-Q271 PolarHBondContact O-N 3.41Å; L268-E272 WeakPolarHBondContact O-CB 3.32Å; L268-E272 PolarHBondContact O-N 2.63Å; L268-F281 HydrophobicContact CD2-CD1 4.29Å; L268-A286 HydrophobicContact CD1-CB 4.44Å; L268-A286 HydrophobicContact CD2-CB 4.42Å; L268-T290 WeakPolarHBondContact CD1-OG1 3.13Å
269I87.5Confident82Confident2 Ų250.2 Ų50.21%0.0130%0.297CS..Hα-helixtrans-62.8-42.7178.5-67.8164.5000110.3R251 R252 M255 V265 D266 E272 Q273R251-I269 HydrophobicContact CB-CD1 3.98Å; R251-I269 HydrophobicContact CG-CD1 3.96Å; R252-I269 HydrophobicContact CG-CD1 3.94Å; R252-I269 HydrophobicContact CG-CG1 4.05Å; R252-I269 HydrophobicContact CG-CG2 4.2Å; M255-I269 HydrophobicContact CB-CG2 3.87Å; M255-I269 HydrophobicContact CG-CB 4.19Å; M255-I269 HydrophobicContact CG-CG2 3.86Å; V265-I269 HydrophobicContact CG1-CD1 3.56Å; V265-I269 HydrophobicContact CG1-CG1 4.3Å; V265-I269 VanDerWaalsContact O-CG1 3.3Å; V265-I269 WeakPolarHBondContact O-CG1 3.46Å; V265-I269 PolarHBondContact O-N 3.37Å; D266-I269 PolarHBondContact O-N 2.75Å; I269-E272 PolarHBondContact O-N 3.32Å; I269-Q273 HydrophobicContact CG2-CG 4.46Å; I269-Q273 VanDerWaalsContact CG2-NE2 3.31Å; I269-Q273 WeakPolarHBondContact O-CB 3.49Å; I269-Q273 VanDerWaalsContact O-CG 3.28Å; I269-Q273 WeakPolarHBondContact O-CG 3.49Å; I269-Q273 PolarHBondContact O-N 2.77Å
270Q87.3Confident81.6Confident48 Ų4848.6 Ų48.622%0.22429%0.288CS..Hα-helixtrans-65.3-38.9176-73.5-169.81.800112.6M255 D259 V261 D266 L268 Q273 G274M255-Q270 HydrophobicContact CG-CG 3.75Å; M255-Q270 HydrophobicContact SD-CG 3.78Å; M255-Q270 PolarHBondContact SD-NE2 2.79Å; D259-Q270 PolarHBondContact O-NE2 2.95Å; V261-Q270 VanDerWaalsContact CG2-OE1 3.23Å; D266-Q270 WeakPolarHBondContact O-CG 3.18Å; D266-Q270 PolarHBondContact O-N 2.94Å; L268-Q270 VanDerWaalsContact C-N 3.34Å; L268-Q270 PolarHBondContact O-N 3.39Å; Q270-Q273 PolarHBondContact O-N 2.92Å; Q270-G274 PolarHBondContact O-N 3.28Å
271Q85.9Confident81.2Confident54 Ų5444.1 Ų44.125%0.25226%0.258SS..Hα-helixtrans-65.5-39.6176.7-173.567.329.600111.6F128 A267 L268 G274 D275 F281F128-Q271 HydrophobicContact CD2-CB 4.15Å; F128-Q271 HydrophobicContact CD2-CG 3.95Å; F128-Q271 HydrophobicContact CE2-CB 3.68Å; F128-Q271 HydrophobicContact CE2-CG 4.02Å; F128-Q271 HydrophobicContact CZ-CB 4.43Å; A267-Q271 WeakPolarHBondContact O-CB 3.47Å; A267-Q271 PolarHBondContact O-N 3.23Å; L268-Q271 PolarHBondContact O-N 3.41Å; Q271-G274 PolarHBondContact O-N 3.35Å; Q271-D275 PolarHBondContact NE2-O 2.95Å; Q271-F281 HydrophobicContact CG-CB 4.21Å; Q271-F281 HydrophobicContact CG-CD1 4.05Å; Q271-F281 HydrophobicContact CG-CD2 3.65Å; Q271-F281 HydrophobicContact CG-CE1 4.34Å; Q271-F281 HydrophobicContact CG-CE2 3.96Å; Q271-F281 HydrophobicContact CG-CG 3.69Å; Q271-F281 HydrophobicContact CG-CZ 4.29Å
272E80.8Confident80.9Confident55 Ų5544.1 Ų44.126%0.25726%0.263SS..Hα-helixtrans-66.1-38.7176-176-178.3-167.400112.2R252 L268 I269 G274 E283R252-E272 IonicContact CZ-OE1 2.79Å; R252-E272 IonicContact CZ-OE2 2.81Å; R252-E272 IonicContact NE-OE2 3.24Å; R252-E272 IonicContact NH2-OE1 4Å; R252-E272 PolarHBondContact NH2-OE1 2.94Å; R252-E272 IonicContact NH2-OE2 3.44Å; R252-E272 PolarHBondContact NH2-OE2 3.31Å; L268-E272 WeakPolarHBondContact O-CB 3.32Å; L268-E272 PolarHBondContact O-N 2.63Å; I269-E272 PolarHBondContact O-N 3.32Å; E272-G274 VanDerWaalsContact C-N 3.3Å; E272-E283 PolarHBondContact OE1-N 3.26Å
273Q76.9Confident80.6Confident89 Ų8944 Ų4442%0.41626%0.256SS..Hα-helixtrans-77.9-13.7178-69.4176.110.300113.8M255 I269 Q270M255-Q273 PolarHBondContact O-NE2 2.83Å; M255-Q273 PolarHBondContact O-OE1 2.8Å; I269-Q273 HydrophobicContact CG2-CG 4.46Å; I269-Q273 VanDerWaalsContact CG2-NE2 3.31Å; I269-Q273 WeakPolarHBondContact O-CB 3.49Å; I269-Q273 VanDerWaalsContact O-CG 3.28Å; I269-Q273 WeakPolarHBondContact O-CG 3.49Å; I269-Q273 PolarHBondContact O-N 2.77Å; Q270-Q273 PolarHBondContact O-N 2.92Å
274G75.9Confident80.2Confident49 Ų4948.3 Ų48.351%0.50528%0.279SS..SBendtrans-103.2-136.2-173.500000113.8Q270 Q271 E272 D276Q270-G274 PolarHBondContact O-N 3.28Å; Q271-G274 PolarHBondContact O-N 3.35Å; E272-G274 VanDerWaalsContact C-N 3.3Å; G274-D276 PolarHBondContact O-N 3.21Å; G274-D276 VanDerWaalsContact O-N 3.11Å
275D64.7Low79.8Confident137 Ų13748.9 Ų48.973%0.73328%0.282SS*.SBendtrans-8284.2-176.9-159.921000110.7Q271 P277Q271-D275 PolarHBondContact NE2-O 2.95Å; D275-P277 WeakPolarHBondContact O-CD 3.47Å; D275-P277 WeakPolarHBondContact OD1-CD 3.16Å
276D69.2Low79.6Confident31 Ų3149 Ų4917%0.16628%0.283CS..  trans-120.162.4169.1-171.827.2000112G274 E278 G279 L280 F281G274-D276 PolarHBondContact O-N 3.21Å; G274-D276 VanDerWaalsContact O-N 3.11Å; D276-E278 PolarHBondContact O-N 3.38Å; D276-E278 VanDerWaalsContact O-N 3.11Å; D276-G279 PolarHBondContact O-N 3.3Å; D276-G279 VanDerWaalsContact O-N 3.07Å; D276-G279 PolarHBondContact OD1-N 3.47Å; D276-G279 WeakPolarHBondContact OD2-CA 3.4Å; D276-L280 VanDerWaalsContact CG-N 3.32Å; D276-L280 PolarHBondContact OD1-N 3.25Å; D276-L280 PolarHBondContact OD2-N 2.81Å; D276-F281 WeakPolarHBondContact OD2-CA 3.34Å; D276-F281 PolarHBondContact OD2-N 2.88Å
277P61.8Low79.7Confident111 Ų11149 Ų4972%0.72128%0.283SS*.THydrogen-bonded Turntrans-64-20-17526-34.3000113.1D275D275-P277 WeakPolarHBondContact O-CD 3.47Å; D275-P277 WeakPolarHBondContact OD1-CD 3.16Å
278E67.6Low79.7Confident145 Ų14548.6 Ų48.668%0.67828%0.28SS*.THydrogen-bonded Turntrans-98.20.5179.2-67.1-172.7-175.700113.5D276 L280D276-E278 PolarHBondContact O-N 3.38Å; D276-E278 VanDerWaalsContact O-N 3.11Å; E278-L280 HydrophobicContact CB-CD1 4.03Å; E278-L280 HydrophobicContact CB-CD2 4.46Å; E278-L280 HydrophobicContact CB-CG 3.71Å; E278-L280 PolarHBondContact O-N 3.19Å; E278-L280 WeakPolarHBondContact OE2-CD1 3.47Å
279G70.6Confident79.9Confident42 Ų4248.6 Ų48.643%0.43328%0.28SS..  trans61.126.2-178.500000113.5D276 F281D276-G279 PolarHBondContact O-N 3.3Å; D276-G279 VanDerWaalsContact O-N 3.07Å; D276-G279 PolarHBondContact OD1-N 3.47Å; D276-G279 WeakPolarHBondContact OD2-CA 3.4Å; G279-F281 PolarHBondContact O-N 3.24Å
280L74.9Confident80.3Confident26 Ų2648.5 Ų48.514%0.13628%0.279CS..THydrogen-bonded Turntrans-74.4-15.6-176.1-67179.1000112.5R121 A124 D276 E278 N285R121-L280 HydrophobicContact CB-CD2 4.1Å; R121-L280 HydrophobicContact CG-CD2 4.2Å; A124-L280 HydrophobicContact CB-CD1 3.67Å; D276-L280 VanDerWaalsContact CG-N 3.32Å; D276-L280 PolarHBondContact OD1-N 3.25Å; D276-L280 PolarHBondContact OD2-N 2.81Å; E278-L280 HydrophobicContact CB-CD1 4.03Å; E278-L280 HydrophobicContact CB-CD2 4.46Å; E278-L280 HydrophobicContact CB-CG 3.71Å; E278-L280 PolarHBondContact O-N 3.19Å; E278-L280 WeakPolarHBondContact OE2-CD1 3.47Å; L280-N285 PolarHBondContact O-ND2 3.22Å
281F75.3Confident80.7Confident9 Ų946.3 Ų46.34%0.03927%0.269CS..THydrogen-bonded Turntrans-119.118.4-179-62.9-83.1000113.1A124 F128 L268 Q271 D276 G279A124-F281 HydrophobicContact CB-CE2 4.39Å; A124-F281 HydrophobicContact CB-CZ 4.24Å; F128-F281 HydrophobicContact CB-CE1 3.69Å; F128-F281 HydrophobicContact CB-CZ 3.65Å; F128-F281 AromaticContact CD1-CE1 3.98Å; F128-F281 HydrophobicContact CD1-CE1 3.98Å; F128-F281 HydrophobicContact CD2-CE1 4.22Å; F128-F281 HydrophobicContact CD2-CZ 4.43Å; F128-F281 AromaticContact CG-CE1 3.67Å; F128-F281 HydrophobicContact CG-CE1 3.67Å; F128-F281 HydrophobicContact CG-CZ 4.02Å; L268-F281 HydrophobicContact CD2-CD1 4.29Å; Q271-F281 HydrophobicContact CG-CB 4.21Å; Q271-F281 HydrophobicContact CG-CD1 4.05Å; Q271-F281 HydrophobicContact CG-CD2 3.65Å; Q271-F281 HydrophobicContact CG-CE1 4.34Å; Q271-F281 HydrophobicContact CG-CE2 3.96Å; Q271-F281 HydrophobicContact CG-CG 3.69Å; Q271-F281 HydrophobicContact CG-CZ 4.29Å; D276-F281 WeakPolarHBondContact OD2-CA 3.34Å; D276-F281 PolarHBondContact OD2-N 2.88Å; G279-F281 PolarHBondContact O-N 3.24Å
282A81.3Confident81.2Confident49 Ų4944.6 Ų44.641%0.40526%0.262SS..  trans-47.9151.9168.600000111.7D284 N285 A286A282-D284 PolarHBondContact O-N 3.45Å; A282-N285 WeakPolarHBondContact O-CA 3.15Å; A282-N285 PolarHBondContact O-N 3.47Å; A282-A286 PolarHBondContact O-N 3.5Å
283E81.8Confident81.9Confident65 Ų6543 Ų4330%0.30425%0.254SS..Hα-helixtrans-42.8-45.8-173.5-172.9175.6138.900114.4R252 E272 N285 A286 V287R252-E283 IonicContact CZ-OE2 3.17Å; R252-E283 IonicContact NH1-OE2 2.89Å; R252-E283 PolarHBondContact NH1-OE2 2.96Å; R252-E283 IonicContact NH2-OE2 2.69Å; R252-E283 PolarHBondContact NH2-OE2 2.98Å; E272-E283 PolarHBondContact OE1-N 3.26Å; E283-N285 VanDerWaalsContact C-N 3.31Å; E283-N285 PolarHBondContact O-N 2.95Å; E283-A286 PolarHBondContact O-N 3.1Å; E283-A286 VanDerWaalsContact O-N 3.17Å; E283-V287 HydrophobicContact CG-CG2 4.39Å; E283-V287 WeakPolarHBondContact O-CB 3.48Å; E283-V287 VanDerWaalsContact O-CG2 3.28Å; E283-V287 WeakPolarHBondContact O-CG2 3.37Å; E283-V287 PolarHBondContact O-N 2.72Å
284D84.5Confident82.8Confident89 Ų8938.8 Ų38.848%0.47624%0.235SC..Hα-helixtrans-59.7-38.6178.7-86.5-19.8000112.9A282 A288A282-D284 PolarHBondContact O-N 3.45Å; D284-A288 VanDerWaalsContact O-CB 3.3Å; D284-A288 WeakPolarHBondContact O-CB 3.05Å; D284-A288 PolarHBondContact O-N 3.34Å
285N86.6Confident83.8Confident13 Ų1337.3 Ų37.37%0.0722%0.215CC..Hα-helixtrans-77.8-32.5176.3-164.953.5000112.2G112 G113 L280 A282 E283 A288 C289G112-N285 WeakPolarHBondContact CA-OD1 3.39Å; G113-N285 PolarHBondContact N-OD1 2.96Å; L280-N285 PolarHBondContact O-ND2 3.22Å; A282-N285 WeakPolarHBondContact O-CA 3.15Å; A282-N285 PolarHBondContact O-N 3.47Å; E283-N285 VanDerWaalsContact C-N 3.31Å; E283-N285 PolarHBondContact O-N 2.95Å; N285-A288 PolarHBondContact O-N 3.22Å; N285-C289 WeakPolarHBondContact O-CB 3.26Å; N285-C289 PolarHBondContact O-N 3.4Å; N285-C289 PolarHBondContact O-SG 3.43Å
286A88.1Confident85.3Confident4 Ų433 Ų333%0.03320%0.198CC..Hα-helixtrans-63-44172.600000111.3L268 A282 E283 C289 T290L268-A286 HydrophobicContact CD1-CB 4.44Å; L268-A286 HydrophobicContact CD2-CB 4.42Å; A282-A286 PolarHBondContact O-N 3.5Å; E283-A286 PolarHBondContact O-N 3.1Å; E283-A286 VanDerWaalsContact O-N 3.17Å; A286-C289 PolarHBondContact O-N 2.97Å; A286-T290 WeakPolarHBondContact O-CB 3.49Å; A286-T290 PolarHBondContact O-N 3.01Å; A286-T290 PolarHBondContact O-OG1 2.96Å
287V91.9Very high86.4Confident1 Ų132.2 Ų32.21%0.00620%0.198CC..Hα-helixtrans-63.2-44.1173.1174.40000110.7R241 R245 L248 E283 C289 T290 L291R241-V287 HydrophobicContact CG-CG1 3.4Å; R245-V287 HydrophobicContact CG-CG2 3.98Å; L248-V287 HydrophobicContact CD1-CB 4.44Å; L248-V287 HydrophobicContact CD1-CG2 3.56Å; E283-V287 HydrophobicContact CG-CG2 4.39Å; E283-V287 WeakPolarHBondContact O-CB 3.48Å; E283-V287 VanDerWaalsContact O-CG2 3.28Å; E283-V287 WeakPolarHBondContact O-CG2 3.37Å; E283-V287 PolarHBondContact O-N 2.72Å; V287-C289 PolarHBondContact O-N 3.41Å; V287-T290 PolarHBondContact O-N 3.4Å; V287-L291 VanDerWaalsContact O-CB 3.3Å; V287-L291 WeakPolarHBondContact O-CB 3.37Å; V287-L291 PolarHBondContact O-N 3.4Å
288A92.6Very high88Confident1 Ų127 Ų271%0.00816%0.164CC..Hα-helixtrans-60.1-43.7176.600000112.6Q109 D284 N285 L291 D292Q109-A288 PolarHBondContact NE2-O 3.05Å; D284-A288 VanDerWaalsContact O-CB 3.3Å; D284-A288 WeakPolarHBondContact O-CB 3.05Å; D284-A288 PolarHBondContact O-N 3.34Å; N285-A288 PolarHBondContact O-N 3.22Å; A288-L291 PolarHBondContact O-N 3.32Å; A288-D292 PolarHBondContact O-N 2.93Å
289C93.9Very high89.4Confident0 Ų020.8 Ų20.80%014%0.135CC..Hα-helixtrans-66.4-42.3176.4-67.50000111.8I114 N285 A286 V287 D292 M293I114-C289 HydrophobicContact CD1-CB 4.17Å; N285-C289 WeakPolarHBondContact O-CB 3.26Å; N285-C289 PolarHBondContact O-N 3.4Å; N285-C289 PolarHBondContact O-SG 3.43Å; A286-C289 PolarHBondContact O-N 2.97Å; V287-C289 PolarHBondContact O-N 3.41Å; C289-D292 PolarHBondContact O-N 2.91Å; C289-M293 WeakPolarHBondContact O-CG 3.28Å; C289-M293 PolarHBondContact O-N 3.43Å; C289-M293 VanDerWaalsContact O-N 3.07Å
290T94.9Very high90.6Very high0 Ų020.7 Ų20.70%013%0.126CC..Hα-helixtrans-63.4-42.9176.5-55.30000110.9F184 L244 V265 L268 A286 V287 M293 V294F184-T290 HydrophobicContact CE1-CG2 4.14Å; F184-T290 HydrophobicContact CZ-CG2 4.5Å; L244-T290 HydrophobicContact CD1-CG2 4.27Å; L244-T290 HydrophobicContact CD2-CG2 4.2Å; V265-T290 HydrophobicContact CG2-CG2 4.29Å; L268-T290 WeakPolarHBondContact CD1-OG1 3.13Å; A286-T290 WeakPolarHBondContact O-CB 3.49Å; A286-T290 PolarHBondContact O-N 3.01Å; A286-T290 PolarHBondContact O-OG1 2.96Å; V287-T290 PolarHBondContact O-N 3.4Å; T290-M293 PolarHBondContact O-N 3.41Å; T290-V294 HydrophobicContact CG2-CG2 4.46Å; T290-V294 WeakPolarHBondContact O-CB 3.28Å; T290-V294 WeakPolarHBondContact O-CG2 3.42Å; T290-V294 PolarHBondContact O-N 3.04Å
291L96.3Very high91.7Very high2 Ų219.7 Ų19.71%0.0112%0.121CC..Hα-helixtrans-59-48.5174.8178.564.9000111.5I108 I237 V240 L244 V287 A288 M293 V294 M295I108-L291 HydrophobicContact CG2-CD2 3.93Å; I237-L291 HydrophobicContact CD1-CD1 4.41Å; I237-L291 HydrophobicContact CD1-CD2 4.42Å; I237-L291 HydrophobicContact CG2-CD2 4.2Å; V240-L291 HydrophobicContact CB-CD1 4.32Å; V240-L291 HydrophobicContact CG1-CD1 3.58Å; L244-L291 HydrophobicContact CD1-CB 3.85Å; L244-L291 HydrophobicContact CD1-CD1 4.04Å; V287-L291 VanDerWaalsContact O-CB 3.3Å; V287-L291 WeakPolarHBondContact O-CB 3.37Å; V287-L291 PolarHBondContact O-N 3.4Å; A288-L291 PolarHBondContact O-N 3.32Å; L291-M293 VanDerWaalsContact C-N 3.3Å; L291-M293 PolarHBondContact O-N 2.96Å; L291-V294 PolarHBondContact O-N 2.91Å; L291-M295 HydrophobicContact CD1-CG 3.85Å; L291-M295 HydrophobicContact CD1-SD 4.32Å; L291-M295 HydrophobicContact CG-CG 4.26Å; L291-M295 WeakPolarHBondContact O-CB 3.33Å; L291-M295 WeakPolarHBondContact O-CG 3.43Å; L291-M295 PolarHBondContact O-N 3.3Å
292D96.1Very high92.8Very high19 Ų1919.6 Ų19.610%0.10212%0.121CC..Hα-helixtrans-56.7-44.7176.8-92.6-16.3000111.8Q109 G113 I114 F115 A288 C289 A296Q109-D292 PolarHBondContact NE2-OD1 3.45Å; G113-D292 WeakPolarHBondContact CA-OD2 3.39Å; I114-D292 PolarHBondContact N-OD2 2.99Å; F115-D292 WeakPolarHBondContact CB-OD1 3.23Å; F115-D292 WeakPolarHBondContact CB-OD2 3.33Å; F115-D292 PolarHBondContact N-OD2 3.5Å; A288-D292 PolarHBondContact O-N 2.93Å; C289-D292 PolarHBondContact O-N 2.91Å; D292-A296 WeakPolarHBondContact O-CB 3.48Å; D292-A296 PolarHBondContact O-N 2.97Å
293M96.2Very high93.6Very high21 Ų2117.3 Ų17.310%0.10310%0.102CC..Hα-helixtrans-67.8-41.4-179.6-68.6-60-62.900112.6I114 T129 L133 L183 Y264 C289 T290 L291 G297 V434I114-M293 HydrophobicContact CD1-CG 4.4Å; I114-M293 HydrophobicContact CD1-SD 4.31Å; T129-M293 HydrophobicContact CG2-CE 4.25Å; T129-M293 HydrophobicContact CG2-SD 3.77Å; L133-M293 HydrophobicContact CD1-CE 4.04Å; L133-M293 HydrophobicContact CD2-CE 4.1Å; L183-M293 HydrophobicContact CD1-CB 3.83Å; L183-M293 HydrophobicContact CD2-CB 3.69Å; L183-M293 HydrophobicContact CD2-CE 4.43Å; L183-M293 HydrophobicContact CD2-CG 4.28Å; L183-M293 HydrophobicContact CG-CB 4.43Å; Y264-M293 HydrophobicContact CD1-CG 4.41Å; Y264-M293 HydrophobicContact CE1-CG 3.89Å; C289-M293 WeakPolarHBondContact O-CG 3.28Å; C289-M293 PolarHBondContact O-N 3.43Å; C289-M293 VanDerWaalsContact O-N 3.07Å; T290-M293 PolarHBondContact O-N 3.41Å; L291-M293 VanDerWaalsContact C-N 3.3Å; L291-M293 PolarHBondContact O-N 2.96Å; M293-G297 PolarHBondContact O-N 3.28Å; M293-V434 HydrophobicContact SD-CG1 4.26Å
294V95.9Very high94.4Very high0 Ų014.5 Ų14.50%09%0.09CC..Hα-helixtrans-60.9-50.9175.2162.40000110.4F180 L183 F184 I202 L244 T290 L291 T298F180-V294 HydrophobicContact CE1-CG1 4.04Å; F180-V294 HydrophobicContact CE1-CG2 4.37Å; L183-V294 HydrophobicContact CD1-CB 4.31Å; L183-V294 HydrophobicContact CD1-CG2 3.44Å; L183-V294 VanDerWaalsContact CD1-CG2 3.44Å; F184-V294 HydrophobicContact CE2-CG2 4.43Å; F184-V294 HydrophobicContact CZ-CG2 3.99Å; I202-V294 HydrophobicContact CD1-CG1 3.63Å; I202-V294 HydrophobicContact CG1-CG1 4.36Å; L244-V294 HydrophobicContact CD2-CG2 3.96Å; T290-V294 HydrophobicContact CG2-CG2 4.46Å; T290-V294 WeakPolarHBondContact O-CB 3.28Å; T290-V294 WeakPolarHBondContact O-CG2 3.42Å; T290-V294 PolarHBondContact O-N 3.04Å; L291-V294 PolarHBondContact O-N 2.91Å; V294-T298 WeakPolarHBondContact O-CB 3.24Å; V294-T298 WeakPolarHBondContact O-CG2 3.3Å; V294-T298 PolarHBondContact O-N 2.85Å; V294-T298 PolarHBondContact O-OG1 3.34Å
295M96.1Very high95.1Very high18 Ų1810.3 Ų10.39%0.0897%0.067CC..Hα-helixtrans-65.9-41.3-177.5-65-61.1-66.500111.8I202 V205 M206 L291 T298I202-M295 HydrophobicContact CB-SD 4.31Å; I202-M295 HydrophobicContact CG1-SD 3.72Å; I202-M295 HydrophobicContact CG2-CE 4.2Å; I202-M295 HydrophobicContact CG2-SD 4.18Å; V205-M295 HydrophobicContact CB-CE 3.78Å; V205-M295 HydrophobicContact CG1-CE 3.33Å; M206-M295 HydrophobicContact CE-CB 4.04Å; M206-M295 HydrophobicContact CE-CE 3.62Å; M206-M295 VanDerWaalsContact CE-O 3.26Å; M206-M295 WeakPolarHBondContact CE-O 3.28Å; M206-M295 HydrophobicContact CG-CE 4.46Å; M206-M295 HydrophobicContact SD-CE 4.2Å; L291-M295 HydrophobicContact CD1-CG 3.85Å; L291-M295 HydrophobicContact CD1-SD 4.32Å; L291-M295 HydrophobicContact CG-CG 4.26Å; L291-M295 WeakPolarHBondContact O-CB 3.33Å; L291-M295 WeakPolarHBondContact O-CG 3.43Å; L291-M295 PolarHBondContact O-N 3.3Å; M295-T298 PolarHBondContact O-OG1 3.3Å
296A95.5Very high95.7Very high47 Ų4711 Ų1139%0.3887%0.07SC..Hα-helixtrans-73.9-46.2-177.600000112.8D292 T298 T300D292-A296 WeakPolarHBondContact O-CB 3.48Å; D292-A296 PolarHBondContact O-N 2.97Å; A296-T298 VanDerWaalsContact C-N 3.32Å; A296-T298 PolarHBondContact O-N 3.12Å; A296-T300 PolarHBondContact O-OG1 2.81Å
297G93.9Very high96.2Very high15 Ų1511 Ų1116%0.1557%0.069CC..Hα-helixtrans-71.9-23.6-17500000114.2T179 M293T179-G297 VanDerWaalsContact OG1-C 3.26Å; T179-G297 WeakPolarHBondContact OG1-CA 3.34Å; T179-G297 PolarHBondContact OG1-O 2.86Å; T179-G297 VanDerWaalsContact OG1-O 3.13Å; M293-G297 PolarHBondContact O-N 3.28Å
298T94.6Very high96.5Very high2 Ų211 Ų111%0.0127%0.069CC..Hα-helixtrans-83.6-66179.952.60000111.7T179 F180 I202 V294 M295 A296 T300 S302T179-T298 HydrophobicContact CG2-CG2 4.41Å; F180-T298 HydrophobicContact CD1-CG2 4.45Å; F180-T298 HydrophobicContact CE1-CG2 3.6Å; F180-T298 HydrophobicContact CZ-CG2 3.98Å; I202-T298 HydrophobicContact CD1-CG2 3.96Å; V294-T298 WeakPolarHBondContact O-CB 3.24Å; V294-T298 WeakPolarHBondContact O-CG2 3.3Å; V294-T298 PolarHBondContact O-N 2.85Å; V294-T298 PolarHBondContact O-OG1 3.34Å; M295-T298 PolarHBondContact O-OG1 3.3Å; A296-T298 VanDerWaalsContact C-N 3.32Å; A296-T298 PolarHBondContact O-N 3.12Å; T298-T300 PolarHBondContact O-N 2.95Å; T298-S302 WeakPolarHBondContact O-CB 3.42Å; T298-S302 PolarHBondContact O-N 3.49Å; T298-S302 PolarHBondContact O-OG 2.9Å
299E95.6Very high96.8Very high14 Ų1411 Ų117%0.0657%0.07CC..Hα-helixtrans-61.8-45.4-171.5176.568.2-176.100112.7M206 A303 T476 R478M206-E299 HydrophobicContact CB-CG 4.45Å; M206-E299 HydrophobicContact CE-CB 3.64Å; M206-E299 HydrophobicContact CE-CG 4.03Å; M206-E299 HydrophobicContact CG-CB 4.05Å; M206-E299 HydrophobicContact CG-CG 3.75Å; M206-E299 HydrophobicContact SD-CB 4.4Å; M206-E299 HydrophobicContact SD-CG 4.16Å; E299-A303 VanDerWaalsContact O-CB 3.26Å; E299-A303 WeakPolarHBondContact O-CB 3.26Å; E299-A303 PolarHBondContact O-N 2.88Å; E299-T476 HydrophobicContact CG-CG2 3.74Å; E299-T476 PolarHBondContact OE1-OG1 3.32Å; E299-R478 VanDerWaalsContact OE1-CD 3.22Å; E299-R478 WeakPolarHBondContact OE1-CD 3.29Å; E299-R478 IonicContact OE1-NH1 3.09Å; E299-R478 IonicContact OE2-NH1 3.03Å
300T97.8Very high97Very high40 Ų4011 Ų1125%0.2457%0.07CC..Hα-helixtrans-71.4-49.5-166.560.30000112.9A296 T298 T304 L360 T476A296-T300 PolarHBondContact O-OG1 2.81Å; T298-T300 PolarHBondContact O-N 2.95Å; T300-T304 PolarHBondContact O-N 2.76Å; T300-T304 VanDerWaalsContact O-N 3.12Å; T300-T304 PolarHBondContact O-OG1 2.88Å; T300-L360 HydrophobicContact CG2-CD2 4.39Å; T300-L360 WeakPolarHBondContact O-CD2 3.07Å; T300-T476 HydrophobicContact CG2-CG2 4.48Å
301T97.9Very high97.2Very high5 Ų511.1 Ų11.13%0.0317%0.07CC..Hα-helixtrans-66.8-40.8175.9-50.50000110.8P175 A303 T304 L305 E442 L443P175-T301 HydrophobicContact CB-CG2 3.67Å; P175-T301 HydrophobicContact CG-CG2 4.42Å; T301-A303 PolarHBondContact O-N 3.39Å; T301-T304 PolarHBondContact O-N 2.8Å; T301-L305 PolarHBondContact O-N 3.05Å; T301-E442 HydrophobicContact CG2-CB 4.1Å; T301-E442 WeakPolarHBondContact CG2-OE2 3.32Å; T301-L443 HydrophobicContact CG2-CD2 3.76Å; T301-L443 HydrophobicContact CG2-CG 3.96Å
302S97.9Very high97.3Very high6 Ų611 Ų114%0.0427%0.069CC..Hα-helixtrans-57.4-50.2176.6-650000112.3G172 P175 S176 T298 T304 L305 Q306G172-S302 VanDerWaalsContact CA-CB 3.45Å; G172-S302 WeakPolarHBondContact CA-OG 3.09Å; G172-S302 PolarHBondContact O-OG 3.13Å; P175-S302 WeakPolarHBondContact CG-OG 3.49Å; S176-S302 PolarHBondContact OG-OG 3.35Å; T298-S302 WeakPolarHBondContact O-CB 3.42Å; T298-S302 PolarHBondContact O-N 3.49Å; T298-S302 PolarHBondContact O-OG 2.9Å; S302-T304 VanDerWaalsContact C-N 3.32Å; S302-T304 PolarHBondContact O-N 3.17Å; S302-L305 PolarHBondContact O-N 3.43Å; S302-Q306 WeakPolarHBondContact O-CB 3.42Å; S302-Q306 VanDerWaalsContact O-CG 3.23Å; S302-Q306 WeakPolarHBondContact O-CG 3.42Å; S302-Q306 PolarHBondContact O-N 3.35Å; S302-Q306 PolarHBondContact O-NE2 3.1Å
303A98.3Very high97.4Very high1 Ų110.2 Ų10.21%0.0087%0.065CC..Hα-helixtrans-63.1-39.9179.300000111.6E299 T301 Q306 W307 L360 R478E299-A303 VanDerWaalsContact O-CB 3.26Å; E299-A303 WeakPolarHBondContact O-CB 3.26Å; E299-A303 PolarHBondContact O-N 2.88Å; T301-A303 PolarHBondContact O-N 3.39Å; A303-Q306 PolarHBondContact O-N 3.39Å; A303-W307 PolarHBondContact O-N 2.9Å; A303-L360 HydrophobicContact CB-CD1 3.69Å; A303-R478 HydrophobicContact CB-CB 3.79Å
304T98.8Very high97.5Very high6 Ų612.2 Ų12.24%0.0377%0.072CC..Hα-helixtrans-65.5-42177.6-53.30000111.8T300 T301 S302 W307 A308 V354 Q355 I358 L443T300-T304 PolarHBondContact O-N 2.76Å; T300-T304 VanDerWaalsContact O-N 3.12Å; T300-T304 PolarHBondContact O-OG1 2.88Å; T301-T304 PolarHBondContact O-N 2.8Å; S302-T304 VanDerWaalsContact C-N 3.32Å; S302-T304 PolarHBondContact O-N 3.17Å; T304-W307 WeakPolarHBondContact O-CB 3.4Å; T304-W307 PolarHBondContact O-N 3.28Å; T304-A308 WeakPolarHBondContact O-CB 3.32Å; T304-A308 PolarHBondContact O-N 3.4Å; T304-V354 HydrophobicContact CG2-CG1 4.27Å; T304-Q355 HydrophobicContact CG2-CG 3.92Å; T304-I358 HydrophobicContact CG2-CD1 4.16Å; T304-L443 HydrophobicContact CG2-CD1 3.69Å; T304-L443 HydrophobicContact CG2-CD2 3.69Å; T304-L443 HydrophobicContact CG2-CG 4.36Å
305L98.8Very high97.6Very high1 Ų114.5 Ų14.51%0.0058%0.083CC..Hα-helixtrans-67.3-38.3177.3-174.261.8000111.8L171 T301 S302 A308 A309 L443 L446 F447 L450L171-L305 HydrophobicContact CB-CD2 4.36Å; L171-L305 HydrophobicContact CB-CG 4.41Å; L171-L305 WeakPolarHBondContact O-CD2 3.22Å; T301-L305 PolarHBondContact O-N 3.05Å; S302-L305 PolarHBondContact O-N 3.43Å; L305-A308 PolarHBondContact O-N 3.3Å; L305-A309 PolarHBondContact O-N 3.46Å; L305-L443 HydrophobicContact CB-CD2 4.27Å; L305-L446 HydrophobicContact CD1-CB 4.12Å; L305-L446 HydrophobicContact CD2-CB 3.97Å; L305-L446 HydrophobicContact CD2-CD1 3.83Å; L305-L446 HydrophobicContact CD2-CG 4.49Å; L305-F447 HydrophobicContact CD1-CB 4.5Å; L305-L450 HydrophobicContact CD1-CD1 4.17Å
306Q98.6Very high97.7Very high28 Ų2817 Ų1713%0.13110%0.1CC..Hα-helixtrans-61.2-44.4172.6-71.9173.555.700111.6L168 L171 S302 A303 A309 L310 P479L168-Q306 HydrophobicContact CB-CG 4.39Å; L168-Q306 WeakPolarHBondContact O-CG 3.41Å; L171-Q306 HydrophobicContact CB-CG 4.17Å; S302-Q306 WeakPolarHBondContact O-CB 3.42Å; S302-Q306 VanDerWaalsContact O-CG 3.23Å; S302-Q306 WeakPolarHBondContact O-CG 3.42Å; S302-Q306 PolarHBondContact O-N 3.35Å; S302-Q306 PolarHBondContact O-NE2 3.1Å; A303-Q306 PolarHBondContact O-N 3.39Å; Q306-A309 PolarHBondContact O-N 3.42Å; Q306-L310 VanDerWaalsContact O-CB 3.26Å; Q306-L310 WeakPolarHBondContact O-CB 3.4Å; Q306-L310 PolarHBondContact O-N 2.87Å; Q306-P479 HydrophobicContact CB-CG 3.62Å
307W98.8Very high97.8Very high5 Ų519.7 Ų19.72%0.01911%0.108CC..Hα-helixtrans-61.7-44.3173.4-84.5121.8000112.6A303 T304 A309 L310 L311 V354 I358 T469 P471 M477 P479A303-W307 PolarHBondContact O-N 2.9Å; T304-W307 WeakPolarHBondContact O-CB 3.4Å; T304-W307 PolarHBondContact O-N 3.28Å; W307-A309 PolarHBondContact O-N 2.88Å; W307-L310 HydrophobicContact CE3-CD2 3.69Å; W307-L310 HydrophobicContact CH2-CD2 4.46Å; W307-L310 HydrophobicContact CZ3-CD2 3.55Å; W307-L310 PolarHBondContact O-N 2.96Å; W307-L311 WeakPolarHBondContact O-CB 3.33Å; W307-L311 VanDerWaalsContact O-CG 3.27Å; W307-L311 WeakPolarHBondContact O-CG 3.34Å; W307-L311 PolarHBondContact O-N 3.48Å; W307-V354 HydrophobicContact CB-CG1 4.23Å; W307-I358 HydrophobicContact CB-CD1 4.12Å; W307-I358 HydrophobicContact CB-CG2 3.79Å; W307-I358 HydrophobicContact CD2-CB 4.34Å; W307-I358 HydrophobicContact CD2-CG2 3.62Å; W307-I358 HydrophobicContact CE3-CG2 4.02Å; W307-I358 HydrophobicContact CG-CB 4.16Å; W307-I358 HydrophobicContact CG-CD1 4.03Å; W307-I358 HydrophobicContact CG-CG2 3.51Å; W307-T469 VanDerWaalsContact CH2-O 3.29Å; W307-T469 WeakPolarHBondContact CH2-O 3.1Å; W307-T469 HydrophobicContact CZ3-CG2 4.38Å; W307-P471 HydrophobicContact CZ2-CB 4.38Å; W307-M477 PolarHBondContact NE1-O 3.38Å; W307-P479 HydrophobicContact CD2-CB 3.96Å; W307-P479 HydrophobicContact CD2-CG 4.26Å; W307-P479 HydrophobicContact CE3-CB 4.21Å; W307-P479 HydrophobicContact CG-CG 4.35Å; W307-P479 HydrophobicContact CH2-CB 4.04Å; W307-P479 VanDerWaalsContact CZ2-CA 3.47Å; W307-P479 HydrophobicContact CZ2-CB 3.84Å; W307-P479 HydrophobicContact CZ3-CB 4.24Å
308A98.8Very high98Very high0 Ų019.2 Ų19.20%010%0.102CC..Hα-helixtrans-58.1-50.4178.100000110.6T304 L305 L310 L311 M312 V354 F447T304-A308 WeakPolarHBondContact O-CB 3.32Å; T304-A308 PolarHBondContact O-N 3.4Å; L305-A308 PolarHBondContact O-N 3.3Å; A308-L310 PolarHBondContact O-N 3.21Å; A308-L311 PolarHBondContact O-N 2.8Å; A308-M312 VanDerWaalsContact O-CG 3.26Å; A308-M312 WeakPolarHBondContact O-CG 3.3Å; A308-M312 PolarHBondContact O-N 2.83Å; A308-V354 HydrophobicContact CB-CG1 4.08Å; A308-V354 HydrophobicContact CB-CG2 4.18Å; A308-F447 HydrophobicContact CB-CD2 3.73Å; A308-F447 HydrophobicContact CB-CE2 3.9Å
309A98.7Very high98.2Very high2 Ų219.3 Ų19.32%0.01710%0.102CC..Hα-helixtrans-60.3-44.2176.900000112.8L168 L171 L305 Q306 W307 M312 G313 L456 L484L168-A309 HydrophobicContact CD2-CB 4.43Å; L171-A309 HydrophobicContact CD1-CB 3.3Å; L305-A309 PolarHBondContact O-N 3.46Å; Q306-A309 PolarHBondContact O-N 3.42Å; W307-A309 PolarHBondContact O-N 2.88Å; A309-M312 PolarHBondContact O-N 2.81Å; A309-G313 PolarHBondContact O-N 2.87Å; A309-L456 HydrophobicContact CB-CD1 3.75Å; A309-L484 HydrophobicContact CB-CD1 4.11Å; A309-L484 WeakPolarHBondContact O-CD1 3.47Å
310L98.6Very high98.4Very high0 Ų019.6 Ų19.60%011%0.109CC..Hα-helixtrans-61.1-45.2177.4179.467.2000112.3L168 Q306 W307 A308 M312 G313 R314 L467 D468 P479L168-L310 HydrophobicContact CD1-CB 4.24Å; L168-L310 HydrophobicContact CD1-CD1 4.16Å; Q306-L310 VanDerWaalsContact O-CB 3.26Å; Q306-L310 WeakPolarHBondContact O-CB 3.4Å; Q306-L310 PolarHBondContact O-N 2.87Å; W307-L310 HydrophobicContact CE3-CD2 3.69Å; W307-L310 HydrophobicContact CH2-CD2 4.46Å; W307-L310 HydrophobicContact CZ3-CD2 3.55Å; W307-L310 PolarHBondContact O-N 2.96Å; A308-L310 PolarHBondContact O-N 3.21Å; L310-M312 VanDerWaalsContact C-N 3.32Å; L310-M312 PolarHBondContact O-N 3.13Å; L310-G313 PolarHBondContact O-N 3.47Å; L310-R314 WeakPolarHBondContact O-CB 3.26Å; L310-R314 PolarHBondContact O-N 2.91Å; L310-L467 HydrophobicContact CD1-CB 3.94Å; L310-L467 HydrophobicContact CD1-CD1 4.12Å; L310-L467 HydrophobicContact CD1-CD2 4.14Å; L310-L467 HydrophobicContact CD1-CG 4.29Å; L310-D468 WeakPolarHBondContact CD2-O 3.33Å; L310-P479 HydrophobicContact CD2-CB 4.06Å
311L98.6Very high98.4Very high1 Ų123.9 Ų23.91%0.00512%0.121CC..Hα-helixtrans-66.7-35.1178.6-71.3166.2000111.3W307 A308 R314 H315 V354 F357 I358 F405 T469W307-L311 WeakPolarHBondContact O-CB 3.33Å; W307-L311 VanDerWaalsContact O-CG 3.27Å; W307-L311 WeakPolarHBondContact O-CG 3.34Å; W307-L311 PolarHBondContact O-N 3.48Å; A308-L311 PolarHBondContact O-N 2.8Å; L311-R314 PolarHBondContact O-N 3.48Å; L311-H315 WeakPolarHBondContact O-CB 3.4Å; L311-H315 PolarHBondContact O-CD2 3.36Å; L311-H315 PolarHBondContact O-N 3.29Å; L311-V354 HydrophobicContact CD1-CB 4.38Å; L311-V354 HydrophobicContact CD1-CG1 4.21Å; L311-V354 HydrophobicContact CD1-CG2 3.91Å; L311-F357 HydrophobicContact CD1-CD1 4.26Å; L311-F357 HydrophobicContact CD2-CD1 4.29Å; L311-F357 HydrophobicContact CD2-CE1 4.11Å; L311-I358 HydrophobicContact CD1-CG2 4.29Å; L311-F405 HydrophobicContact CB-CE1 4.41Å; L311-F405 HydrophobicContact CB-CZ 4.28Å; L311-F405 HydrophobicContact CD1-CD2 4.04Å; L311-F405 HydrophobicContact CD1-CE2 3.85Å; L311-F405 HydrophobicContact CD1-CZ 4.36Å; L311-F405 HydrophobicContact CD2-CD2 4.44Å; L311-F405 HydrophobicContact CD2-CG 4.37Å; L311-T469 HydrophobicContact CD2-CG2 4.44Å
312M98.6Very high98.4Very high0 Ų023.7 Ų23.70%012%0.119CC..Hα-helixtrans-65.7-38.7172.5-65.9-55.795.200112.3A308 A309 L310 R314 H315 V318 Q319 V350 F405 F447 L451 L456A308-M312 VanDerWaalsContact O-CG 3.26Å; A308-M312 WeakPolarHBondContact O-CG 3.3Å; A308-M312 PolarHBondContact O-N 2.83Å; A309-M312 PolarHBondContact O-N 2.81Å; L310-M312 VanDerWaalsContact C-N 3.32Å; L310-M312 PolarHBondContact O-N 3.13Å; M312-R314 VanDerWaalsContact C-N 3.29Å; M312-R314 PolarHBondContact O-N 2.93Å; M312-H315 CarbonylContact O-C 3.12Å; M312-V318 HydrophobicContact CE-CB 4.39Å; M312-V318 HydrophobicContact CE-CG1 3.75Å; M312-V318 HydrophobicContact SD-CG1 4.26Å; M312-Q319 HydrophobicContact CB-CB 4.13Å; M312-Q319 HydrophobicContact CB-CG 4.08Å; M312-Q319 PolarHBondContact O-NE2 3.35Å; M312-Q319 HydrophobicContact SD-CB 4.03Å; M312-Q319 HydrophobicContact SD-CG 4.45Å; M312-V350 HydrophobicContact CE-CG1 3.6Å; M312-V350 HydrophobicContact SD-CG1 4.2Å; M312-F405 HydrophobicContact CE-CE1 4.06Å; M312-F405 HydrophobicContact CE-CZ 3.99Å; M312-F447 HydrophobicContact CE-CZ 4.41Å; M312-F447 HydrophobicContact CG-CE2 3.65Å; M312-F447 HydrophobicContact CG-CZ 4.01Å; M312-F447 HydrophobicContact SD-CE2 4.07Å; M312-F447 HydrophobicContact SD-CZ 3.79Å; M312-L451 HydrophobicContact CB-CD2 4.37Å; M312-L451 HydrophobicContact CG-CD1 4Å; M312-L451 HydrophobicContact CG-CD2 4.14Å; M312-L451 HydrophobicContact SD-CD1 4Å; M312-L456 HydrophobicContact CB-CD1 4.36Å
313G98Very high98.5Very high2 Ų223.9 Ų23.92%0.02112%0.12CC..Hα-helixtrans-67.2-28.2173.100000113.6A309 L310 L456 L467A309-G313 PolarHBondContact O-N 2.87Å; L310-G313 PolarHBondContact O-N 3.47Å; G313-L456 WeakPolarHBondContact CA-O 3.44Å; G313-L467 VanDerWaalsContact C-CD1 3.45Å
314R98.1Very high98.4Very high64 Ų6430.3 Ų30.324%0.24215%0.149CC..Hα-helixtrans-83-33.7177.9-177.2173.7-176.482.510.5113.2L310 L311 M312 P316 P464 A465 L467 T469L310-R314 WeakPolarHBondContact O-CB 3.26Å; L310-R314 PolarHBondContact O-N 2.91Å; L311-R314 PolarHBondContact O-N 3.48Å; M312-R314 VanDerWaalsContact C-N 3.29Å; M312-R314 PolarHBondContact O-N 2.93Å; R314-P316 VanDerWaalsContact C-CD 3.5Å; R314-P316 VanDerWaalsContact O-CD 3.28Å; R314-P316 WeakPolarHBondContact O-CD 3.27Å; R314-P464 WeakPolarHBondContact CG-O 3.45Å; R314-P464 WeakPolarHBondContact O-CB 3.18Å; R314-A465 VanDerWaalsContact NH1-C 3.3Å; R314-A465 PolarHBondContact NH1-O 2.78Å; R314-A465 PolarHBondContact NH2-O 3.24Å; R314-L467 HydrophobicContact CB-CB 4.48Å; R314-L467 HydrophobicContact CB-CD1 4.13Å; R314-L467 PolarHBondContact NH1-O 3.07Å; R314-T469 VanDerWaalsContact CD-CG2 3.42Å
315H98.3Very high98.4Very high48 Ų4830.5 Ų30.522%0.22215%0.15CC..  trans-118.375.2-176.4-61.8-79.8000110.4L311 M312 D317 V318 Q319 F405L311-H315 WeakPolarHBondContact O-CB 3.4Å; L311-H315 PolarHBondContact O-CD2 3.36Å; L311-H315 PolarHBondContact O-N 3.29Å; M312-H315 CarbonylContact O-C 3.12Å; H315-D317 PolarHBondContact O-N 3.34Å; H315-V318 HydrophobicContact CB-CB 3.98Å; H315-V318 HydrophobicContact CB-CG2 3.9Å; H315-V318 PolarHBondContact O-N 2.99Å; H315-V318 VanDerWaalsContact O-N 3.12Å; H315-Q319 PolarHBondContact O-N 2.8Å; H315-F405 AromaticContact CD2-CD1 3.58Å; H315-F405 AromaticContact CG-CD1 3.98Å; H315-F405 AromaticContact NE2-CD1 3.89Å
316P97.4Very high98.4Very high71 Ų7130.4 Ų30.446%0.46115%0.15SC..Hα-helixtrans-62.5-26.8-176.725.6-34.7000113.1R314 Q319 G320R314-P316 VanDerWaalsContact C-CD 3.5Å; R314-P316 VanDerWaalsContact O-CD 3.28Å; R314-P316 WeakPolarHBondContact O-CD 3.27Å; P316-Q319 PolarHBondContact O-N 2.87Å; P316-G320 PolarHBondContact O-N 3.31Å
317D98.2Very high98.3Very high102 Ų10231.2 Ų31.255%0.54516%0.155SC..Hα-helixtrans-65.1-44.2173.261-59.4000112.1H315 G320 R321H315-D317 PolarHBondContact O-N 3.34Å; D317-G320 PolarHBondContact O-N 3.15Å; D317-R321 WeakPolarHBondContact O-CG 3.48Å; D317-R321 PolarHBondContact O-N 2.92Å; D317-R321 VanDerWaalsContact O-N 3.17Å
318V98.8Very high98.1Very high6 Ų640 Ų404%0.03619%0.188CC..Hα-helixtrans-66.1-43.9175.3177.30000110.1M312 H315 G320 R321 V322 Y346 V350 F405 P407M312-V318 HydrophobicContact CE-CB 4.39Å; M312-V318 HydrophobicContact CE-CG1 3.75Å; M312-V318 HydrophobicContact SD-CG1 4.26Å; H315-V318 HydrophobicContact CB-CB 3.98Å; H315-V318 HydrophobicContact CB-CG2 3.9Å; H315-V318 PolarHBondContact O-N 2.99Å; H315-V318 VanDerWaalsContact O-N 3.12Å; V318-G320 PolarHBondContact O-N 3.29Å; V318-R321 PolarHBondContact O-N 3.32Å; V318-V322 WeakPolarHBondContact O-CG2 3.36Å; V318-V322 PolarHBondContact O-N 2.82Å; V318-V322 VanDerWaalsContact O-N 3.1Å; V318-Y346 HydrophobicContact CG1-CE1 4.35Å; V318-V350 HydrophobicContact CG1-CG1 4.09Å; V318-V350 HydrophobicContact CG1-CG2 3.56Å; V318-F405 HydrophobicContact CB-CE1 4.48Å; V318-F405 HydrophobicContact CG1-CE1 4.1Å; V318-F405 HydrophobicContact CG2-CE1 4.27Å; V318-P407 HydrophobicContact CG1-CG 3.94Å; V318-P407 HydrophobicContact CG2-CG 4.31Å
319Q98.7Very high98Very high4 Ų442.5 Ų42.52%0.01920%0.203CC..Hα-helixtrans-58.9-46.1177-173.4-178.8170.200111.8M312 H315 P316 R321 V322 Q323 L451 L456M312-Q319 HydrophobicContact CB-CB 4.13Å; M312-Q319 HydrophobicContact CB-CG 4.08Å; M312-Q319 PolarHBondContact O-NE2 3.35Å; M312-Q319 HydrophobicContact SD-CB 4.03Å; M312-Q319 HydrophobicContact SD-CG 4.45Å; H315-Q319 PolarHBondContact O-N 2.8Å; P316-Q319 PolarHBondContact O-N 2.87Å; Q319-R321 PolarHBondContact O-N 2.91Å; Q319-V322 PolarHBondContact O-N 2.56Å; Q319-Q323 VanDerWaalsContact O-CG 3.31Å; Q319-Q323 WeakPolarHBondContact O-CG 3.44Å; Q319-Q323 PolarHBondContact O-N 3.32Å; Q319-L451 HydrophobicContact CG-CD2 3.95Å; Q319-L456 PolarHBondContact NE2-O 3.09Å
320G98.4Very high97.8Very high20 Ų2043 Ų4321%0.20621%0.206CC..Hα-helixtrans-59-44.7178.400000112.3P316 D317 V318 V322 Q323 E324P316-G320 PolarHBondContact O-N 3.31Å; D317-G320 PolarHBondContact O-N 3.15Å; V318-G320 PolarHBondContact O-N 3.29Å; G320-V322 PolarHBondContact O-N 3.4Å; G320-Q323 WeakPolarHBondContact O-CB 3.38Å; G320-Q323 PolarHBondContact O-N 3.45Å; G320-E324 WeakPolarHBondContact O-CG 3.39Å; G320-E324 PolarHBondContact O-N 2.92Å
321R98.5Very high97.4Very high130 Ų13044.3 Ų44.349%0.49122%0.218SC..Hα-helixtrans-64.7-36.7177.2-71.9177.864.9-171.93.9113.5D317 V318 Q319 E325 Y346D317-R321 WeakPolarHBondContact O-CG 3.48Å; D317-R321 PolarHBondContact O-N 2.92Å; D317-R321 VanDerWaalsContact O-N 3.17Å; V318-R321 PolarHBondContact O-N 3.32Å; Q319-R321 PolarHBondContact O-N 2.91Å; R321-E325 WeakPolarHBondContact O-CB 3.48Å; R321-E325 PolarHBondContact O-N 3.07Å; R321-E325 VanDerWaalsContact O-N 3.07Å; R321-Y346 HydrophobicContact CB-CD1 3.85Å; R321-Y346 HydrophobicContact CB-CE1 3.26Å; R321-Y346 HydrophobicContact CG-CE1 4.41Å; R321-Y346 VanDerWaalsContact CZ-CZ 3.47Å; R321-Y346 PolarHBondContact NH1-OH 3.26Å
322V98.6Very high96.5Very high0 Ų051.3 Ų51.30%025%0.245CC..Hα-helixtrans-63.7-45.9172.4173.10000110.3V318 Q319 G320 E324 E325 L326 Y346 T347 V350 F447 L451V318-V322 WeakPolarHBondContact O-CG2 3.36Å; V318-V322 PolarHBondContact O-N 2.82Å; V318-V322 VanDerWaalsContact O-N 3.1Å; Q319-V322 PolarHBondContact O-N 2.56Å; G320-V322 PolarHBondContact O-N 3.4Å; V322-E324 PolarHBondContact O-N 3.49Å; V322-E325 PolarHBondContact O-N 3.17Å; V322-L326 HydrophobicContact CG1-CD1 3.77Å; V322-L326 HydrophobicContact CG1-CG 4.23Å; V322-L326 VanDerWaalsContact O-CG 3.27Å; V322-L326 WeakPolarHBondContact O-CG 3.47Å; V322-L326 PolarHBondContact O-N 3.11Å; V322-Y346 HydrophobicContact CG2-CD1 3.79Å; V322-Y346 HydrophobicContact CG2-CE1 3.79Å; V322-T347 HydrophobicContact CG1-CG2 4.09Å; V322-V350 HydrophobicContact CG2-CB 4.16Å; V322-V350 HydrophobicContact CG2-CG1 4.29Å; V322-V350 HydrophobicContact CG2-CG2 3.71Å; V322-F447 HydrophobicContact CG1-CE1 4.12Å; V322-F447 HydrophobicContact CG2-CE1 4.49Å; V322-L451 HydrophobicContact CB-CD1 3.99Å; V322-L451 HydrophobicContact CG1-CB 4.34Å; V322-L451 HydrophobicContact CG1-CD1 3.46Å; V322-L451 VanDerWaalsContact CG1-CD1 3.46Å; V322-L451 HydrophobicContact CG2-CD1 4.49Å
323Q98.3Very high95.5Very high10 Ų1055.1 Ų55.15%0.04728%0.284CS..Hα-helixtrans-63.2-41.1179.8-72.9173-20.900112.6Q319 G320 L326 D327 L451 Y454 H455Q319-Q323 VanDerWaalsContact O-CG 3.31Å; Q319-Q323 WeakPolarHBondContact O-CG 3.44Å; Q319-Q323 PolarHBondContact O-N 3.32Å; G320-Q323 WeakPolarHBondContact O-CB 3.38Å; G320-Q323 PolarHBondContact O-N 3.45Å; Q323-L326 PolarHBondContact O-N 3.36Å; Q323-D327 WeakPolarHBondContact O-CB 3.33Å; Q323-D327 VanDerWaalsContact O-CG 3.3Å; Q323-D327 PolarHBondContact O-N 3.48Å; Q323-L451 HydrophobicContact CG-CB 4.39Å; Q323-L451 WeakPolarHBondContact CG-O 3.27Å; Q323-Y454 PolarHBondContact NE2-O 3.45Å; Q323-H455 PolarHBondContact NE2-ND1 3.19Å; Q323-H455 PolarHBondContact OE1-CE1 3.49Å; Q323-H455 PolarHBondContact OE1-ND1 3.21Å
324E97.8Very high95.1Very high136 Ų13659.7 Ų59.764%0.63630%0.301SS*.Hα-helixtrans-61.4-43173.4-74.7170.6-174.600112G320 V322 D327 R328G320-E324 WeakPolarHBondContact O-CG 3.39Å; G320-E324 PolarHBondContact O-N 2.92Å; V322-E324 PolarHBondContact O-N 3.49Å; E324-D327 PolarHBondContact O-N 3.35Å; E324-R328 VanDerWaalsContact O-CB 3.26Å; E324-R328 WeakPolarHBondContact O-CB 3.48Å; E324-R328 PolarHBondContact O-N 3.48Å
325E98.1Very high94.8Very high10 Ų1059.2 Ų59.25%0.04731%0.306CS..Hα-helixtrans-64.1-46.3176.9-169.5-174.3-12300111.5R321 V322 R328 V329 L344 P345 Y346 T347R321-E325 WeakPolarHBondContact O-CB 3.48Å; R321-E325 PolarHBondContact O-N 3.07Å; R321-E325 VanDerWaalsContact O-N 3.07Å; V322-E325 PolarHBondContact O-N 3.17Å; E325-R328 PolarHBondContact O-N 2.92Å; E325-V329 HydrophobicContact CG-CG2 4.4Å; E325-V329 WeakPolarHBondContact O-CB 3.13Å; E325-V329 WeakPolarHBondContact O-CG2 3.38Å; E325-V329 PolarHBondContact O-N 2.7Å; E325-L344 HydrophobicContact CG-CD2 3.68Å; E325-P345 WeakPolarHBondContact OE1-CD 3.37Å; E325-P345 WeakPolarHBondContact OE1-CG 3.41Å; E325-Y346 VanDerWaalsContact OE1-CB 3.26Å; E325-Y346 WeakPolarHBondContact OE1-CB 3.47Å; E325-Y346 PolarHBondContact OE1-N 3.38Å; E325-Y346 PolarHBondContact OE2-N 2.87Å; E325-T347 WeakPolarHBondContact OE2-CB 3.43Å; E325-T347 PolarHBondContact OE2-N 3.45Å; E325-T347 PolarHBondContact OE2-OG1 2.91Å
326L97.7Very high94.6Very high0 Ų057 Ų570%030%0.296CS..Hα-helixtrans-60.5-45.4177-69.5169.8000111.5V322 Q323 R328 V329 L330 G331 L344 A448 L451V322-L326 HydrophobicContact CG1-CD1 3.77Å; V322-L326 HydrophobicContact CG1-CG 4.23Å; V322-L326 VanDerWaalsContact O-CG 3.27Å; V322-L326 WeakPolarHBondContact O-CG 3.47Å; V322-L326 PolarHBondContact O-N 3.11Å; Q323-L326 PolarHBondContact O-N 3.36Å; L326-R328 VanDerWaalsContact C-N 3.35Å; L326-R328 PolarHBondContact O-N 2.79Å; L326-V329 PolarHBondContact O-N 3.3Å; L326-L330 HydrophobicContact CD2-CD1 3.73Å; L326-L330 HydrophobicContact CD2-CG 4.44Å; L326-L330 WeakPolarHBondContact O-CA 3.49Å; L326-L330 WeakPolarHBondContact O-CB 3.46Å; L326-L330 PolarHBondContact O-N 2.84Å; L326-G331 PolarHBondContact O-N 2.64Å; L326-L344 HydrophobicContact CD2-CD1 3.81Å; L326-L344 HydrophobicContact CD2-CD2 4.2Å; L326-A448 HydrophobicContact CD2-CB 3.98Å; L326-L451 HydrophobicContact CD1-CB 3.97Å
327D96.6Very high94.4Very high44 Ų4455.6 Ų55.624%0.23528%0.283CS..Hα-helixtrans-63.4-41.7178.6-78.314.4000111.5Q323 E324 G331 R332 R489Q323-D327 WeakPolarHBondContact O-CB 3.33Å; Q323-D327 VanDerWaalsContact O-CG 3.3Å; Q323-D327 PolarHBondContact O-N 3.48Å; E324-D327 PolarHBondContact O-N 3.35Å; D327-G331 VanDerWaalsContact O-CA 3.24Å; D327-G331 WeakPolarHBondContact O-CA 3.25Å; D327-G331 PolarHBondContact O-N 2.74Å; D327-G331 VanDerWaalsContact O-N 3.15Å; D327-R332 IonicContact OD2-NE 2.62Å; D327-R332 IonicContact OD2-NH2 3.63Å; D327-R489 IonicContact OD1-CZ 2.64Å; D327-R489 IonicContact OD1-NH1 3.12Å; D327-R489 PolarHBondContact OD1-NH1 3.1Å; D327-R489 IonicContact OD1-NH2 3.92Å; D327-R489 PolarHBondContact OD1-NH2 3.39Å; D327-R489 IonicContact OD2-NH2 3.43Å; D327-R489 PolarHBondContact OD2-NH2 3.46Å
328R96.1Very high94.1Very high190 Ų19051.9 Ų51.972%0.71727%0.265SS*.Hα-helixtrans-67.7-41.8179.9-177.8-176.465.2-175.8-1.3112.6E324 E325 L326E324-R328 VanDerWaalsContact O-CB 3.26Å; E324-R328 WeakPolarHBondContact O-CB 3.48Å; E324-R328 PolarHBondContact O-N 3.48Å; E325-R328 PolarHBondContact O-N 2.92Å; L326-R328 VanDerWaalsContact C-N 3.35Å; L326-R328 PolarHBondContact O-N 2.79Å
329V95.9Very high93.8Very high52 Ų5256 Ų5632%0.31528%0.284SS..Hα-helixtrans-93.6-41.9-170.5178.90000112.3E325 L326 V343 L344E325-V329 HydrophobicContact CG-CG2 4.4Å; E325-V329 WeakPolarHBondContact O-CB 3.13Å; E325-V329 WeakPolarHBondContact O-CG2 3.38Å; E325-V329 PolarHBondContact O-N 2.7Å; L326-V329 PolarHBondContact O-N 3.3Å; V329-V343 HydrophobicContact CG1-CB 4.28Å; V329-V343 HydrophobicContact CG1-CG2 3.79Å; V329-L344 HydrophobicContact CB-CD2 3.74Å; V329-L344 HydrophobicContact CG1-CD2 4Å; V329-L344 HydrophobicContact CG1-CG 4.4Å; V329-L344 HydrophobicContact CG2-CD2 3.98Å
330L94.3Very high93.6Very high14 Ų1456.5 Ų56.57%0.07329%0.286CS..THydrogen-bonded Turntrans-100.8-23.9-176.3-46.8-174.5000112.7L326 P336 D340 L344L326-L330 HydrophobicContact CD2-CD1 3.73Å; L326-L330 HydrophobicContact CD2-CG 4.44Å; L326-L330 WeakPolarHBondContact O-CA 3.49Å; L326-L330 WeakPolarHBondContact O-CB 3.46Å; L326-L330 PolarHBondContact O-N 2.84Å; L330-P336 HydrophobicContact CD1-CB 4.11Å; L330-D340 HydrophobicContact CD2-CB 3.89Å; L330-D340 VanDerWaalsContact CD2-CG 3.46Å; L330-L344 HydrophobicContact CD1-CD1 4.07Å; L330-L344 HydrophobicContact CD2-CD1 4.17Å; L330-L344 HydrophobicContact CG-CD1 4.28Å
331G90.1Very high93.3Very high26 Ų2657.9 Ų57.927%0.26829%0.288SS..THydrogen-bonded Turntrans68.4-171.4-164.900000112.2L326 D327 Q452L326-G331 PolarHBondContact O-N 2.64Å; D327-G331 VanDerWaalsContact O-CA 3.24Å; D327-G331 WeakPolarHBondContact O-CA 3.25Å; D327-G331 PolarHBondContact O-N 2.74Å; D327-G331 VanDerWaalsContact O-N 3.15Å; G331-Q452 PolarHBondContact O-NE2 2.66Å
332R79.1Confident93Very high148 Ų14860.1 Ų60.156%0.55830%0.304SS*.THydrogen-bonded Turntrans-92.3-16.5-174.9-63.9-171.6178.7174.93.1115.1D327 P490D327-R332 IonicContact OD2-NE 2.62Å; D327-R332 IonicContact OD2-NH2 3.63Å; R332-P490 WeakPolarHBondContact CD-O 3.18Å; R332-P490 PolarHBondContact NE-O 3.26Å; R332-P490 PolarHBondContact NH1-O 2.67Å; R332-P490 PolarHBondContact NH1-OXT 2.9Å; R332-P490 VanDerWaalsContact NH1-OXT 3.12Å
333G77.7Confident92.8Very high81 Ų8163.9 Ų63.984%0.83533%0.327SS*.THydrogen-bonded Turntrans-99.8-21.8-171.200000115.4
334R90.4Very high92.8Very high97 Ų9763.4 Ų63.437%0.36632%0.324SS..SBendtrans-97.9125-175.4-172.2179.268.890.9-22.4110.3D340 Q452R334-D340 IonicContact CZ-OD1 3.61Å; R334-D340 IonicContact CZ-OD2 3.68Å; R334-D340 IonicContact NH1-OD1 2.7Å; R334-D340 PolarHBondContact NH1-OD1 3.44Å; R334-D340 IonicContact NH1-OD2 3.92Å; R334-D340 PolarHBondContact NH1-OD2 3.47Å; R334-D340 VanDerWaalsContact NH2-CG 3.33Å; R334-D340 IonicContact NH2-OD1 3.73Å; R334-D340 PolarHBondContact NH2-OD1 3.12Å; R334-D340 IonicContact NH2-OD2 3.23Å; R334-D340 PolarHBondContact NH2-OD2 2.86Å; R334-Q452 PolarHBondContact O-NE2 2.9Å; R334-Q452 PolarHBondContact O-OE1 3.45Å
335P91.6Very high92.8Very high55 Ų5558.3 Ų58.336%0.35730%0.303SS..PPolyproline II helixtrans-64.8152.1173.228.4-34.4000111L148L148-P335 HydrophobicContact CD2-CB 4.35Å
336P94.3Very high92.8Very high0 Ų058.6 Ų58.60%030%0.304CS..PPolyproline II helixtrans-62.4146.9174.728.5-35.6000110.8L148 L330 F444 L445 A448L148-P336 HydrophobicContact CD2-CG 4.35Å; L148-P336 WeakPolarHBondContact CD2-O 3.18Å; L330-P336 HydrophobicContact CD1-CB 4.11Å; P336-F444 HydrophobicContact CB-CE1 4.5Å; P336-L445 HydrophobicContact CB-CD2 4.16Å; P336-L445 HydrophobicContact CG-CD2 4.36Å; P336-L445 WeakPolarHBondContact O-CD2 3.41Å; P336-A448 HydrophobicContact CB-CB 3.93Å; P336-A448 HydrophobicContact CG-CB 4.07Å
337Q93.3Very high92.9Very high42 Ų4258.6 Ų58.620%0.19630%0.304CS..  trans-123.7154.9175.7-62.6-62-1800110E339 D340 F444Q337-E339 WeakPolarHBondContact CB-OE2 3.37Å; Q337-E339 PolarHBondContact O-N 3.06Å; Q337-E339 VanDerWaalsContact O-N 3.11Å; Q337-D340 PolarHBondContact N-OD2 2.85Å; Q337-D340 VanDerWaalsContact O-CB 3.27Å; Q337-D340 WeakPolarHBondContact O-CB 3.48Å; Q337-D340 PolarHBondContact O-N 2.71Å; Q337-F444 WeakPolarHBondContact O-CE1 3.26Å
338P91.5Very high93Very high25 Ų2556.5 Ų56.516%0.16229%0.293CS..G310 helixtrans-54-34.2-176.7-25.133.4000114.3A144 D340 Q341 T441 L445A144-P338 HydrophobicContact CB-CG 3.39Å; P338-D340 VanDerWaalsContact C-N 3.27Å; P338-D340 PolarHBondContact O-N 2.72Å; P338-Q341 WeakPolarHBondContact O-CB 3.33Å; P338-Q341 PolarHBondContact O-N 3.31Å; P338-T441 HydrophobicContact CB-CG2 4.39Å; P338-T441 HydrophobicContact CG-CG2 4.17Å; P338-L445 HydrophobicContact CG-CD1 4.37Å
339E92.3Very high93.1Very high92 Ų9247.5 Ų47.543%0.4326%0.259SS..G310 helixtrans-69.3-27.6-178-58.864.3-134.100111.4Q337 Q341 Q342Q337-E339 WeakPolarHBondContact CB-OE2 3.37Å; Q337-E339 PolarHBondContact O-N 3.06Å; Q337-E339 VanDerWaalsContact O-N 3.11Å; E339-Q341 PolarHBondContact O-N 3.1Å; E339-Q341 VanDerWaalsContact O-N 3.11Å; E339-Q342 PolarHBondContact O-N 2.93Å; E339-Q342 VanDerWaalsContact O-N 3.15Å
340D94.4Very high93.2Very high14 Ų1445 Ų458%0.07524%0.244CC..G310 helixtrans-62.6-21.3179.8-64.9-40.9000112.2L330 R334 Q337 P338 Q342 V343 L344 F444L330-D340 HydrophobicContact CD2-CB 3.89Å; L330-D340 VanDerWaalsContact CD2-CG 3.46Å; R334-D340 IonicContact CZ-OD1 3.61Å; R334-D340 IonicContact CZ-OD2 3.68Å; R334-D340 IonicContact NH1-OD1 2.7Å; R334-D340 PolarHBondContact NH1-OD1 3.44Å; R334-D340 IonicContact NH1-OD2 3.92Å; R334-D340 PolarHBondContact NH1-OD2 3.47Å; R334-D340 VanDerWaalsContact NH2-CG 3.33Å; R334-D340 IonicContact NH2-OD1 3.73Å; R334-D340 PolarHBondContact NH2-OD1 3.12Å; R334-D340 IonicContact NH2-OD2 3.23Å; R334-D340 PolarHBondContact NH2-OD2 2.86Å; Q337-D340 PolarHBondContact N-OD2 2.85Å; Q337-D340 VanDerWaalsContact O-CB 3.27Å; Q337-D340 WeakPolarHBondContact O-CB 3.48Å; Q337-D340 PolarHBondContact O-N 2.71Å; P338-D340 VanDerWaalsContact C-N 3.27Å; P338-D340 PolarHBondContact O-N 2.72Å; D340-Q342 PolarHBondContact O-N 3.27Å; D340-Q342 VanDerWaalsContact O-N 3.13Å; D340-V343 HydrophobicContact CB-CG2 4.44Å; D340-V343 VanDerWaalsContact O-CG2 3.27Å; D340-V343 WeakPolarHBondContact O-CG2 3.44Å; D340-V343 PolarHBondContact O-N 3.4Å; D340-L344 HydrophobicContact CB-CD1 3.92Å; D340-L344 WeakPolarHBondContact O-CB 3.18Å; D340-L344 WeakPolarHBondContact O-CG 3.23Å; D340-L344 PolarHBondContact O-N 3.13Å; D340-L344 VanDerWaalsContact O-N 3.09Å; D340-F444 HydrophobicContact CB-CE1 4.36Å; D340-F444 HydrophobicContact CB-CZ 4.12Å
341Q92.4Very high93.4Very high50 Ų5044.8 Ų44.823%0.23424%0.243CC..G310 helixtrans-55.8-31.5176.7-169.4174.81.800112.2P338 E339 V343 S348 F444P338-Q341 WeakPolarHBondContact O-CB 3.33Å; P338-Q341 PolarHBondContact O-N 3.31Å; E339-Q341 PolarHBondContact O-N 3.1Å; E339-Q341 VanDerWaalsContact O-N 3.11Å; Q341-V343 VanDerWaalsContact C-N 3.33Å; Q341-S348 VanDerWaalsContact CG-OG 3.23Å; Q341-S348 WeakPolarHBondContact CG-OG 3.43Å; Q341-S348 PolarHBondContact O-OG 2.94Å; Q341-S348 VanDerWaalsContact O-OG 3.06Å; Q341-F444 HydrophobicContact CB-CD1 4.28Å; Q341-F444 HydrophobicContact CB-CD2 4.05Å; Q341-F444 HydrophobicContact CB-CE1 4.08Å; Q341-F444 HydrophobicContact CB-CE2 3.82Å; Q341-F444 HydrophobicContact CB-CG 4.27Å; Q341-F444 HydrophobicContact CB-CZ 3.83Å; Q341-F444 HydrophobicContact CG-CD2 3.87Å; Q341-F444 HydrophobicContact CG-CE2 3.96Å; Q341-F444 HydrophobicContact CG-CG 4.31Å; Q341-F444 HydrophobicContact CG-CZ 4.47Å
342Q91.9Very high93.8Very high176 Ų17643.9 Ų43.982%0.82223%0.231SC*.G310 helixtrans-73.6-23.8179.7-60.2-1778.300113.2E339 D340E339-Q342 PolarHBondContact O-N 2.93Å; E339-Q342 VanDerWaalsContact O-N 3.15Å; D340-Q342 PolarHBondContact O-N 3.27Å; D340-Q342 VanDerWaalsContact O-N 3.13Å
343V95.8Very high94.8Very high80 Ų8036.8 Ų36.849%0.48521%0.205SC..THydrogen-bonded Turntrans-109.55.9-177.2-640000113V329 D340 Q341 P345V329-V343 HydrophobicContact CG1-CB 4.28Å; V329-V343 HydrophobicContact CG1-CG2 3.79Å; D340-V343 HydrophobicContact CB-CG2 4.44Å; D340-V343 VanDerWaalsContact O-CG2 3.27Å; D340-V343 WeakPolarHBondContact O-CG2 3.44Å; D340-V343 PolarHBondContact O-N 3.4Å; Q341-V343 VanDerWaalsContact C-N 3.33Å; V343-P345 WeakPolarHBondContact O-CD 3.5Å
344L97.6Very high95.8Very high0 Ų033 Ų330%017%0.165CC..  trans-119.667.3175.8-68.1169.6000110.3E325 L326 V329 L330 D340 Y346 T347 S348 F444E325-L344 HydrophobicContact CG-CD2 3.68Å; L326-L344 HydrophobicContact CD2-CD1 3.81Å; L326-L344 HydrophobicContact CD2-CD2 4.2Å; V329-L344 HydrophobicContact CB-CD2 3.74Å; V329-L344 HydrophobicContact CG1-CD2 4Å; V329-L344 HydrophobicContact CG1-CG 4.4Å; V329-L344 HydrophobicContact CG2-CD2 3.98Å; L330-L344 HydrophobicContact CD1-CD1 4.07Å; L330-L344 HydrophobicContact CD2-CD1 4.17Å; L330-L344 HydrophobicContact CG-CD1 4.28Å; D340-L344 HydrophobicContact CB-CD1 3.92Å; D340-L344 WeakPolarHBondContact O-CB 3.18Å; D340-L344 WeakPolarHBondContact O-CG 3.23Å; D340-L344 PolarHBondContact O-N 3.13Å; D340-L344 VanDerWaalsContact O-N 3.09Å; L344-Y346 PolarHBondContact O-N 2.85Å; L344-T347 PolarHBondContact O-N 2.89Å; L344-S348 WeakPolarHBondContact O-CB 3.19Å; L344-S348 PolarHBondContact O-N 3.4Å; L344-S348 PolarHBondContact O-OG 3.11Å; L344-S348 VanDerWaalsContact O-OG 3.1Å; L344-F444 HydrophobicContact CD1-CE2 4.19Å; L344-F444 HydrophobicContact CD1-CZ 3.81Å
345P98.1Very high96.2Very high29 Ų2929.1 Ų29.119%0.18815%0.151CC..Hα-helixtrans-62.3-38.8-173.724.7-35.1000113.2E325 V343 S348 A349 L411 G415 F417E325-P345 WeakPolarHBondContact OE1-CD 3.37Å; E325-P345 WeakPolarHBondContact OE1-CG 3.41Å; V343-P345 WeakPolarHBondContact O-CD 3.5Å; P345-S348 PolarHBondContact O-N 3.37Å; P345-A349 VanDerWaalsContact O-CB 3.28Å; P345-A349 WeakPolarHBondContact O-CB 3.43Å; P345-A349 PolarHBondContact O-N 2.73Å; P345-L411 HydrophobicContact CB-CD2 4.41Å; P345-G415 WeakPolarHBondContact CB-O 3.38Å; P345-F417 HydrophobicContact CB-CB 3.81Å
346Y98.7Very high96.5Very high15 Ų1526.5 Ų26.56%0.05913%0.134CC..Hα-helixtrans-71.2-44.3-179.4-170.1-102.3000111.7V318 R321 V322 E325 L344 S348 A349 V350 P407 L411V318-Y346 HydrophobicContact CG1-CE1 4.35Å; R321-Y346 HydrophobicContact CB-CD1 3.85Å; R321-Y346 HydrophobicContact CB-CE1 3.26Å; R321-Y346 HydrophobicContact CG-CE1 4.41Å; R321-Y346 VanDerWaalsContact CZ-CZ 3.47Å; R321-Y346 PolarHBondContact NH1-OH 3.26Å; V322-Y346 HydrophobicContact CG2-CD1 3.79Å; V322-Y346 HydrophobicContact CG2-CE1 3.79Å; E325-Y346 VanDerWaalsContact OE1-CB 3.26Å; E325-Y346 WeakPolarHBondContact OE1-CB 3.47Å; E325-Y346 PolarHBondContact OE1-N 3.38Å; E325-Y346 PolarHBondContact OE2-N 2.87Å; L344-Y346 PolarHBondContact O-N 2.85Å; Y346-S348 VanDerWaalsContact C-N 3.29Å; Y346-S348 PolarHBondContact O-N 3.31Å; Y346-A349 WeakPolarHBondContact O-CB 3.42Å; Y346-A349 PolarHBondContact O-N 2.77Å; Y346-A349 VanDerWaalsContact O-N 3.17Å; Y346-V350 HydrophobicContact CD1-CG2 4.05Å; Y346-V350 HydrophobicContact CE1-CG2 3.68Å; Y346-V350 VanDerWaalsContact O-CG2 3.32Å; Y346-V350 WeakPolarHBondContact O-CG2 3.36Å; Y346-V350 PolarHBondContact O-N 2.86Å; Y346-P407 HydrophobicContact CE2-CB 4.08Å; Y346-L411 HydrophobicContact CD2-CD1 3.68Å; Y346-L411 HydrophobicContact CE2-CD1 4.09Å
347T98.6Very high96.6Very high0 Ų029 Ų290%015%0.145CC..Hα-helixtrans-59-43.4174.3-55.30000110.7V322 E325 L344 V350 L351 F444 F447V322-T347 HydrophobicContact CG1-CG2 4.09Å; E325-T347 WeakPolarHBondContact OE2-CB 3.43Å; E325-T347 PolarHBondContact OE2-N 3.45Å; E325-T347 PolarHBondContact OE2-OG1 2.91Å; L344-T347 PolarHBondContact O-N 2.89Å; T347-V350 PolarHBondContact O-N 3.43Å; T347-L351 PolarHBondContact O-N 2.89Å; T347-L351 VanDerWaalsContact O-N 3.09Å; T347-F444 HydrophobicContact CG2-CE2 4.28Å; T347-F447 HydrophobicContact CG2-CD1 4.01Å; T347-F447 HydrophobicContact CG2-CE1 3.97Å
348S98.3Very high96.8Very high1 Ų127.6 Ų27.61%0.00714%0.139CC..Hα-helixtrans-61.6-45.3174.2-72.60000112Q341 L344 P345 Y346 L351 H352Q341-S348 VanDerWaalsContact CG-OG 3.23Å; Q341-S348 WeakPolarHBondContact CG-OG 3.43Å; Q341-S348 PolarHBondContact O-OG 2.94Å; Q341-S348 VanDerWaalsContact O-OG 3.06Å; L344-S348 WeakPolarHBondContact O-CB 3.19Å; L344-S348 PolarHBondContact O-N 3.4Å; L344-S348 PolarHBondContact O-OG 3.11Å; L344-S348 VanDerWaalsContact O-OG 3.1Å; P345-S348 PolarHBondContact O-N 3.37Å; Y346-S348 VanDerWaalsContact C-N 3.29Å; Y346-S348 PolarHBondContact O-N 3.31Å; S348-L351 PolarHBondContact O-N 3.41Å; S348-H352 PolarHBondContact O-N 3.07Å; S348-H352 PolarHBondContact O-ND1 3.32Å
349A98.7Very high96.9Very high0 Ų026.7 Ų26.70%013%0.133CC..Hα-helixtrans-61.5-43.4177.700000112.2P345 Y346 L351 H352 E353 P407 F410 L411 F417P345-A349 VanDerWaalsContact O-CB 3.28Å; P345-A349 WeakPolarHBondContact O-CB 3.43Å; P345-A349 PolarHBondContact O-N 2.73Å; Y346-A349 WeakPolarHBondContact O-CB 3.42Å; Y346-A349 PolarHBondContact O-N 2.77Å; Y346-A349 VanDerWaalsContact O-N 3.17Å; A349-L351 PolarHBondContact O-N 3.39Å; A349-H352 PolarHBondContact O-N 2.93Å; A349-E353 WeakPolarHBondContact O-CB 3.49Å; A349-E353 PolarHBondContact O-N 2.73Å; A349-P407 HydrophobicContact CB-CB 4.47Å; A349-F410 HydrophobicContact CB-CB 3.77Å; A349-L411 HydrophobicContact CB-CD1 4.18Å; A349-L411 HydrophobicContact CB-CD2 3.73Å; A349-L411 HydrophobicContact CB-CG 3.73Å; A349-F417 HydrophobicContact CB-CD2 4.25Å
350V98.9Very high97.1Very high0 Ų023.4 Ų23.40%012%0.118CC..Hα-helixtrans-60.5-46.8176.4171.10000111.2M312 V318 V322 Y346 T347 H352 E353 V354 F405 P407 F447M312-V350 HydrophobicContact CE-CG1 3.6Å; M312-V350 HydrophobicContact SD-CG1 4.2Å; V318-V350 HydrophobicContact CG1-CG1 4.09Å; V318-V350 HydrophobicContact CG1-CG2 3.56Å; V322-V350 HydrophobicContact CG2-CB 4.16Å; V322-V350 HydrophobicContact CG2-CG1 4.29Å; V322-V350 HydrophobicContact CG2-CG2 3.71Å; Y346-V350 HydrophobicContact CD1-CG2 4.05Å; Y346-V350 HydrophobicContact CE1-CG2 3.68Å; Y346-V350 VanDerWaalsContact O-CG2 3.32Å; Y346-V350 WeakPolarHBondContact O-CG2 3.36Å; Y346-V350 PolarHBondContact O-N 2.86Å; T347-V350 PolarHBondContact O-N 3.43Å; V350-H352 PolarHBondContact O-N 3.42Å; V350-E353 PolarHBondContact O-N 3.37Å; V350-V354 WeakPolarHBondContact O-CG2 3.11Å; V350-V354 PolarHBondContact O-N 2.58Å; V350-F405 HydrophobicContact CG1-CZ 4.26Å; V350-P407 HydrophobicContact CG2-CB 3.79Å; V350-P407 HydrophobicContact CG2-CG 3.66Å; V350-F447 HydrophobicContact CG1-CE1 4.16Å; V350-F447 HydrophobicContact CG1-CZ 3.66Å
351L98.4Very high97.1Very high10 Ų1024.5 Ų24.55%0.05212%0.124CC..Hα-helixtrans-63.6-40.3178.2-82172.5000113T347 S348 A349 E353 V354 Q355 L443 F444 F447T347-L351 PolarHBondContact O-N 2.89Å; T347-L351 VanDerWaalsContact O-N 3.09Å; S348-L351 PolarHBondContact O-N 3.41Å; A349-L351 PolarHBondContact O-N 3.39Å; L351-E353 VanDerWaalsContact C-N 3.33Å; L351-V354 PolarHBondContact O-N 3.21Å; L351-Q355 PolarHBondContact O-N 2.84Å; L351-L443 HydrophobicContact CD2-CB 4.48Å; L351-F444 HydrophobicContact CD1-CB 4.14Å; L351-F444 HydrophobicContact CD1-CD2 4.04Å; L351-F447 HydrophobicContact CD1-CB 4.21Å; L351-F447 HydrophobicContact CD1-CD1 3.8Å; L351-F447 HydrophobicContact CD1-CG 4.27Å; L351-F447 HydrophobicContact CD2-CB 3.78Å; L351-F447 HydrophobicContact CD2-CD1 3.75Å; L351-F447 HydrophobicContact CD2-CD2 4.04Å; L351-F447 HydrophobicContact CD2-CE1 4.27Å; L351-F447 HydrophobicContact CD2-CG 3.59Å; L351-F447 HydrophobicContact CG-CB 4.37Å; L351-F447 HydrophobicContact CG-CD1 3.62Å; L351-F447 HydrophobicContact CG-CE1 3.99Å; L351-F447 HydrophobicContact CG-CG 4.03Å
352H98.7Very high97.2Very high6 Ų623 Ų233%0.02812%0.118CC..Hα-helixtrans-65-41.4175-75.170.9000110.7S348 A349 V350 V354 Q355 R356 F410 F417 F423S348-H352 PolarHBondContact O-N 3.07Å; S348-H352 PolarHBondContact O-ND1 3.32Å; A349-H352 PolarHBondContact O-N 2.93Å; V350-H352 PolarHBondContact O-N 3.42Å; H352-V354 VanDerWaalsContact C-N 3.35Å; H352-V354 PolarHBondContact O-N 3.29Å; H352-Q355 PolarHBondContact O-N 3.01Å; H352-R356 WeakPolarHBondContact O-CB 3.28Å; H352-R356 PolarHBondContact O-N 3.13Å; H352-F410 HydrophobicContact CB-CD1 3.71Å; H352-F410 HydrophobicContact CB-CD2 3.75Å; H352-F410 HydrophobicContact CB-CE1 3.71Å; H352-F410 HydrophobicContact CB-CE2 3.76Å; H352-F410 HydrophobicContact CB-CG 3.72Å; H352-F410 HydrophobicContact CB-CZ 3.74Å; H352-F417 HydrophobicContact CB-CE2 4.32Å; H352-F417 AromaticContact CD2-CZ 3.7Å; H352-F417 AromaticContact CE1-CE2 3.77Å; H352-F417 AromaticContact CE1-CZ 3.35Å; H352-F417 WeakPolarHBondContact CE1-CZ 3.44Å; H352-F417 AromaticContact CG-CE2 3.74Å; H352-F417 AromaticContact CG-CZ 3.81Å; H352-F417 AromaticContact ND1-CE2 3.52Å; H352-F417 AromaticContact ND1-CZ 3.59Å; H352-F417 AromaticContact NE2-CZ 3.45Å; H352-F417 WeakPolarHBondContact NE2-CZ 3.41Å; H352-F423 HydrophobicContact CB-CE2 4.16Å; H352-F423 HydrophobicContact CB-CZ 3.98Å; H352-F423 AromaticContact CD2-CD1 3.61Å; H352-F423 AromaticContact CD2-CE1 3.19Å; H352-F423 WeakPolarHBondContact CD2-CE1 3.37Å; H352-F423 AromaticContact CD2-CZ 3.53Å; H352-F423 AromaticContact CG-CZ 3.96Å; H352-F423 AromaticContact NE2-CE1 3.83Å; H352-F423 WeakPolarHBondContact O-CE2 3.39Å
353E98.8Very high97.3Very high0 Ų016.3 Ų16.30%09%0.087CC..Hα-helixtrans-64.9-37.4176.4-175.665.4-176.300112.5A349 V350 L351 Q355 R356 F357 Q404 F405 N406 H409 F410A349-E353 WeakPolarHBondContact O-CB 3.49Å; A349-E353 PolarHBondContact O-N 2.73Å; V350-E353 PolarHBondContact O-N 3.37Å; L351-E353 VanDerWaalsContact C-N 3.33Å; E353-Q355 VanDerWaalsContact C-N 3.35Å; E353-Q355 PolarHBondContact O-N 3.42Å; E353-R356 VanDerWaalsContact CD-NE 3.33Å; E353-R356 PolarHBondContact O-N 3.05Å; E353-R356 IonicContact OE1-CZ 3.47Å; E353-R356 IonicContact OE1-NE 3.29Å; E353-R356 PolarHBondContact OE1-NE 3.34Å; E353-R356 IonicContact OE1-NH2 3.3Å; E353-R356 PolarHBondContact OE1-NH2 3.44Å; E353-R356 WeakPolarHBondContact OE2-CD 3.12Å; E353-R356 IonicContact OE2-CZ 3.9Å; E353-R356 IonicContact OE2-NE 3.5Å; E353-R356 PolarHBondContact OE2-NE 3.04Å; E353-R356 IonicContact OE2-NH2 2.75Å; E353-F357 WeakPolarHBondContact O-CB 3.24Å; E353-F357 PolarHBondContact O-N 2.93Å; E353-Q404 VanDerWaalsContact OE1-O 3.12Å; E353-F405 HydrophobicContact CB-CD2 4.47Å; E353-F405 HydrophobicContact CB-CE2 4.02Å; E353-F405 HydrophobicContact CG-CD2 3.56Å; E353-F405 HydrophobicContact CG-CE2 3.58Å; E353-F405 HydrophobicContact CG-CG 4.34Å; E353-F405 HydrophobicContact CG-CZ 4.4Å; E353-N406 VanDerWaalsContact CD-C 3.48Å; E353-N406 VanDerWaalsContact CG-C 3.48Å; E353-N406 WeakPolarHBondContact CG-O 3.2Å; E353-N406 PolarHBondContact OE1-N 2.93Å; E353-H409 IonicContact OE1-CE1 3.56Å; E353-H409 IonicContact OE1-ND1 3.42Å; E353-H409 PolarHBondContact OE1-ND1 2.99Å; E353-H409 VanDerWaalsContact OE1-ND1 3.09Å; E353-H409 IonicContact OE2-CG 2.87Å; E353-H409 IonicContact OE2-ND1 3.77Å; E353-H409 PolarHBondContact OE2-ND1 3.29Å; E353-F410 HydrophobicContact CB-CD2 4.12Å; E353-F410 HydrophobicContact CB-CE2 4.12Å; E353-F410 WeakPolarHBondContact OE2-CE2 3.34Å
354V98.7Very high97.2Very high0 Ų013.4 Ų13.40%07%0.069CC..Hα-helixtrans-56.3-51.8172.3168.90000109.7T304 W307 A308 L311 V350 L351 H352 R356 F357 I358 F405T304-V354 HydrophobicContact CG2-CG1 4.27Å; W307-V354 HydrophobicContact CB-CG1 4.23Å; A308-V354 HydrophobicContact CB-CG1 4.08Å; A308-V354 HydrophobicContact CB-CG2 4.18Å; L311-V354 HydrophobicContact CD1-CB 4.38Å; L311-V354 HydrophobicContact CD1-CG1 4.21Å; L311-V354 HydrophobicContact CD1-CG2 3.91Å; V350-V354 WeakPolarHBondContact O-CG2 3.11Å; V350-V354 PolarHBondContact O-N 2.58Å; L351-V354 PolarHBondContact O-N 3.21Å; H352-V354 VanDerWaalsContact C-N 3.35Å; H352-V354 PolarHBondContact O-N 3.29Å; V354-R356 PolarHBondContact O-N 2.77Å; V354-F357 PolarHBondContact O-N 2.7Å; V354-I358 HydrophobicContact CG1-CD1 4.38Å; V354-I358 VanDerWaalsContact O-CG1 3.24Å; V354-I358 WeakPolarHBondContact O-CG1 3.27Å; V354-I358 VanDerWaalsContact O-CG2 3.29Å; V354-I358 WeakPolarHBondContact O-CG2 3.26Å; V354-I358 PolarHBondContact O-N 2.98Å; V354-I358 VanDerWaalsContact O-N 3.11Å; V354-F405 HydrophobicContact CG2-CE2 3.8Å; V354-F405 HydrophobicContact CG2-CZ 3.99Å
355Q98.5Very high97.1Very high17 Ų1714.4 Ų14.48%0.0798%0.076CC..Hα-helixtrans-65.1-37.5-178.4-65.4-168.7-72.800112.9T304 L351 H352 E353 F423 P425 F426T304-Q355 HydrophobicContact CG2-CG 3.92Å; L351-Q355 PolarHBondContact O-N 2.84Å; H352-Q355 PolarHBondContact O-N 3.01Å; E353-Q355 VanDerWaalsContact C-N 3.35Å; E353-Q355 PolarHBondContact O-N 3.42Å; Q355-F423 HydrophobicContact CB-CE2 3.95Å; Q355-F423 HydrophobicContact CB-CZ 3.81Å; Q355-P425 HydrophobicContact CB-CB 4.34Å; Q355-P425 HydrophobicContact CB-CG 4.31Å; Q355-F426 VanDerWaalsContact NE2-CZ 3.27Å
356R98.4Very high97Very high0 Ų013.3 Ų13.30%07%0.068CC..Hα-helixtrans-64.9-52176.8-172.7-153.966.678.5-3.1110.6H352 E353 V354 T359 L393 W399 P402 Q404 H409 F410 F423H352-R356 WeakPolarHBondContact O-CB 3.28Å; H352-R356 PolarHBondContact O-N 3.13Å; E353-R356 VanDerWaalsContact CD-NE 3.33Å; E353-R356 PolarHBondContact O-N 3.05Å; E353-R356 IonicContact OE1-CZ 3.47Å; E353-R356 IonicContact OE1-NE 3.29Å; E353-R356 PolarHBondContact OE1-NE 3.34Å; E353-R356 IonicContact OE1-NH2 3.3Å; E353-R356 PolarHBondContact OE1-NH2 3.44Å; E353-R356 WeakPolarHBondContact OE2-CD 3.12Å; E353-R356 IonicContact OE2-CZ 3.9Å; E353-R356 IonicContact OE2-NE 3.5Å; E353-R356 PolarHBondContact OE2-NE 3.04Å; E353-R356 IonicContact OE2-NH2 2.75Å; V354-R356 PolarHBondContact O-N 2.77Å; R356-T359 WeakPolarHBondContact O-CG2 3.45Å; R356-T359 PolarHBondContact O-N 3.4Å; R356-L393 HydrophobicContact CG-CB 4.1Å; R356-L393 HydrophobicContact CG-CD2 4.14Å; R356-L393 WeakPolarHBondContact CG-O 3.33Å; R356-L393 PolarHBondContact NH1-O 3.18Å; R356-W399 VanDerWaalsContact CD-CE3 3.4Å; R356-W399 HydrophobicContact CG-CD2 4.44Å; R356-W399 HydrophobicContact CG-CH2 4.08Å; R356-W399 HydrophobicContact CG-CZ2 3.96Å; R356-W399 HydrophobicContact CG-CZ3 4.37Å; R356-P402 VanDerWaalsContact CZ-O 3.31Å; R356-P402 PolarHBondContact NH1-O 3.31Å; R356-P402 PolarHBondContact NH2-O 2.85Å; R356-Q404 PolarHBondContact NH2-O 2.84Å; R356-H409 PolarHBondContact NE-ND1 3.34Å; R356-F410 HydrophobicContact CB-CE2 4.23Å; R356-F410 HydrophobicContact CB-CZ 4.17Å; R356-F423 HydrophobicContact CB-CD2 4.32Å; R356-F423 HydrophobicContact CB-CE2 4.18Å
357F97.6Very high96.7Very high52 Ų5213 Ų1323%0.2287%0.068CC..Hα-helixtrans-64.3-42.8-173.7179.9-100.5000112.8L311 E353 V354 T359 F405L311-F357 HydrophobicContact CD1-CD1 4.26Å; L311-F357 HydrophobicContact CD2-CD1 4.29Å; L311-F357 HydrophobicContact CD2-CE1 4.11Å; E353-F357 WeakPolarHBondContact O-CB 3.24Å; E353-F357 PolarHBondContact O-N 2.93Å; V354-F357 PolarHBondContact O-N 2.7Å; F357-T359 VanDerWaalsContact C-N 3.33Å; F357-T359 PolarHBondContact O-N 2.66Å; F357-F405 HydrophobicContact CB-CD2 4.07Å; F357-F405 HydrophobicContact CD1-CD2 4.4Å; F357-F405 HydrophobicContact CD2-CB 4.08Å; F357-F405 HydrophobicContact CE2-CB 4.2Å; F357-F405 HydrophobicContact CG-CB 4.28Å; F357-F405 HydrophobicContact CG-CD2 4.14Å; F357-F405 HydrophobicContact CZ-CB 4.5Å
358I95.8Very high96.4Very high12 Ų1213 Ų136%0.0627%0.068CC..Hα-helixtrans-76.7-21.2-17569.8-177.9000113T304 W307 L311 V354 L360T304-I358 HydrophobicContact CG2-CD1 4.16Å; W307-I358 HydrophobicContact CB-CD1 4.12Å; W307-I358 HydrophobicContact CB-CG2 3.79Å; W307-I358 HydrophobicContact CD2-CB 4.34Å; W307-I358 HydrophobicContact CD2-CG2 3.62Å; W307-I358 HydrophobicContact CE3-CG2 4.02Å; W307-I358 HydrophobicContact CG-CB 4.16Å; W307-I358 HydrophobicContact CG-CD1 4.03Å; W307-I358 HydrophobicContact CG-CG2 3.51Å; L311-I358 HydrophobicContact CD1-CG2 4.29Å; V354-I358 HydrophobicContact CG1-CD1 4.38Å; V354-I358 VanDerWaalsContact O-CG1 3.24Å; V354-I358 WeakPolarHBondContact O-CG1 3.27Å; V354-I358 VanDerWaalsContact O-CG2 3.29Å; V354-I358 WeakPolarHBondContact O-CG2 3.26Å; V354-I358 PolarHBondContact O-N 2.98Å; V354-I358 VanDerWaalsContact O-N 3.11Å; I358-L360 VanDerWaalsContact C-N 3.27Å; I358-L360 HydrophobicContact CD1-CB 4.06Å; I358-L360 HydrophobicContact CD1-CD1 4.42Å; I358-L360 HydrophobicContact CG1-CB 4.14Å; I358-L360 PolarHBondContact O-N 3.46Å
359T95.1Very high96Very high7 Ų713.8 Ų13.84%0.0438%0.075CC..THydrogen-bonded Turntrans46.249.3-177.861.40000112.7R356 F357 L361 T390 L393 L394R356-T359 WeakPolarHBondContact O-CG2 3.45Å; R356-T359 PolarHBondContact O-N 3.4Å; F357-T359 VanDerWaalsContact C-N 3.33Å; F357-T359 PolarHBondContact O-N 2.66Å; T359-L361 CarbonylContact O-C 3.59Å; T359-L361 PolarHBondContact O-N 3.38Å; T359-T390 HydrophobicContact CG2-CG2 4.16Å; T359-L393 HydrophobicContact CG2-CB 3.88Å; T359-L393 HydrophobicContact CG2-CD1 3.95Å; T359-L394 HydrophobicContact CG2-CG 4.42Å
360L96.3Very high95.5Very high22 Ų2216.7 Ų16.712%0.1159%0.092CC..SBendtrans-47.3-42.7-162-177.469.9000114.6T300 A303 I358 M477T300-L360 HydrophobicContact CG2-CD2 4.39Å; T300-L360 WeakPolarHBondContact O-CD2 3.07Å; A303-L360 HydrophobicContact CB-CD1 3.69Å; I358-L360 VanDerWaalsContact C-N 3.27Å; I358-L360 HydrophobicContact CD1-CB 4.06Å; I358-L360 HydrophobicContact CD1-CD1 4.42Å; I358-L360 HydrophobicContact CG1-CB 4.14Å; I358-L360 PolarHBondContact O-N 3.46Å; L360-M477 PolarHBondContact O-N 2.79Å
361L95.1Very high95Very high38 Ų3822 Ų2220%0.19912%0.12CC..SBendtrans-117.1104.8170.7-78.6170.2000108.3T359 H363 V364 F475 T476T359-L361 CarbonylContact O-C 3.59Å; T359-L361 PolarHBondContact O-N 3.38Å; L361-H363 PolarHBondContact O-N 2.81Å; L361-V364 HydrophobicContact CD1-CG2 4.44Å; L361-F475 HydrophobicContact CD2-CD1 4.26Å; L361-F475 HydrophobicContact CD2-CE1 3.97Å; L361-T476 HydrophobicContact CD2-CG2 4.07Å; L361-T476 HydrophobicContact CG-CG2 4.48Å
362P93.8Very high94.5Very high17 Ų1722 Ų2211%0.1112%0.12CC..SBendtrans-60.6-33.4-177.1-30.437.5000114.1D53 L388 L389 T390 M477D53-P362 HydrophobicContact CB-CB 3.57Å; D53-P362 HydrophobicContact CB-CG 4.19Å; P362-L388 CarbonylContact O-C 3.55Å; P362-L389 WeakPolarHBondContact O-CA 3.41Å; P362-L389 WeakPolarHBondContact O-CB 3.45Å; P362-L389 PolarHBondContact O-N 3.15Å; P362-T390 VanDerWaalsContact CA-OG1 3.23Å; P362-T390 WeakPolarHBondContact CA-OG1 3.41Å; P362-T390 VanDerWaalsContact CB-OG1 3.23Å; P362-T390 WeakPolarHBondContact CB-OG1 3.26Å; P362-T390 PolarHBondContact O-N 2.82Å; P362-M477 HydrophobicContact CG-CG 3.7Å; P362-M477 HydrophobicContact CG-SD 4.2Å
363H94Very high93.9Very high36 Ų3627.2 Ų27.217%0.16715%0.145CC..BIsolated β-bridgetrans-159.7162.1173.764.488.5000110.8Q52 L361 P365 I386 P387 L388Q52-H363 PolarHBondContact OE1-NE2 2.92Å; L361-H363 PolarHBondContact O-N 2.81Å; H363-P365 WeakPolarHBondContact ND1-CD 3.46Å; H363-I386 HydrophobicContact CB-CG2 3.68Å; H363-P387 WeakPolarHBondContact CB-O 3.45Å; H363-L388 HydrophobicContact CB-CD1 4.43Å
364V93.8Very high93.4Very high19 Ų1927.4 Ų27.412%0.11515%0.146CC..  trans-133.9109.5164.3-171.50000107.6F115 L361F115-V364 HydrophobicContact CE2-CG1 4.28Å; F115-V364 HydrophobicContact CZ-CG1 4.11Å; L361-V364 HydrophobicContact CD1-CG2 4.44Å
365P94.7Very high92.7Very high22 Ų2230 Ų3014%0.14317%0.172CC..  trans-55.9142.1-171.6-28.536.1000113.6R99 P100 I102 H363R99-P365 VanDerWaalsContact CD-O 3.27Å; R99-P365 WeakPolarHBondContact CD-O 3.26Å; R99-P365 PolarHBondContact NH1-O 3.33Å; P100-P365 HydrophobicContact CG-CB 3.55Å; I102-P365 HydrophobicContact CD1-CG 4.36Å; H363-P365 WeakPolarHBondContact ND1-CD 3.46Å
366R95.5Very high92.1Very high5 Ų531.7 Ų31.72%0.01919%0.194CC..EExtended strand (participates in β ladder)trans-113.5169.4174.6-57.1-56.9-176.698.32.7110L89 L96 D98 P384 V385 P387 S427 A428L89-R366 HydrophobicContact CD2-CG 4.19Å; L96-R366 HydrophobicContact CB-CB 4.04Å; L96-R366 HydrophobicContact CB-CG 4.27Å; L96-R366 HydrophobicContact CD2-CB 4.41Å; L96-R366 PolarHBondContact O-NH1 3.39Å; D98-R366 CarbonylContact O-C 3.58Å; D98-R366 WeakPolarHBondContact O-CA 2.86Å; R366-P384 CarbonylContact O-C 3.51Å; R366-P384 WeakPolarHBondContact O-CA 3.46Å; R366-V385 HydrophobicContact CB-CB 4.39Å; R366-V385 PolarHBondContact N-O 3.38Å; R366-V385 PolarHBondContact O-N 2.84Å; R366-P387 HydrophobicContact CG-CG 3.92Å; R366-S427 PolarHBondContact NH2-OG 3.38Å; R366-A428 PolarHBondContact NH2-O 2.79Å
367C94.1Very high91.7Very high9 Ų934.1 Ų34.16%0.06121%0.205CC..EExtended strand (participates in β ladder)trans-137.3142.7172.6-165.30000108.5D98 R99 A369 G382 T383D98-C367 HydrophobicContact CB-CB 3.93Å; D98-C367 PolarHBondContact N-O 3.28Å; D98-C367 PolarHBondContact O-N 3.01Å; R99-C367 VanDerWaalsContact C-CB 3.47Å; C367-A369 PolarHBondContact O-N 2.84Å; C367-G382 WeakPolarHBondContact SG-CA 3.44Å; C367-G382 PolarHBondContact SG-O 3.43Å; C367-G382 VanDerWaalsContact SG-O 3.39Å; C367-T383 WeakPolarHBondContact CA-O 3.44Å
368T92.1Very high91.3Very high1 Ų135.5 Ų35.51%0.00621%0.214CC..  trans-69.3119.9173.552.80000109.7L96 T370 M372 L379 P380 K381 G382 T383 V385L96-T368 HydrophobicContact CD2-CG2 3.7Å; T368-T370 VanDerWaalsContact C-N 3.31Å; T368-T370 WeakPolarHBondContact CB-O 3.41Å; T368-M372 HydrophobicContact CG2-CB 4.27Å; T368-M372 HydrophobicContact CG2-SD 4.37Å; T368-L379 HydrophobicContact CG2-CB 4.06Å; T368-L379 HydrophobicContact CG2-CD1 4.41Å; T368-P380 PolarHBondContact OG1-O 3.1Å; T368-K381 WeakPolarHBondContact OG1-CA 3.33Å; T368-G382 PolarHBondContact O-N 3.26Å; T368-G382 PolarHBondContact OG1-N 3.46Å; T368-G382 VanDerWaalsContact OG1-N 3.12Å; T368-T383 PolarHBondContact N-O 3Å; T368-T383 WeakPolarHBondContact OG1-CB 3.16Å; T368-T383 PolarHBondContact OG1-N 2.9Å; T368-V385 HydrophobicContact CG2-CG2 4.19Å
369A88.8Confident91Very high17 Ų1735 Ų3514%0.1421%0.212CC..SBendtrans-75.5-24.2178.400000112.7E95 D98 C367 K381E95-A369 HydrophobicContact CB-CB 3.87Å; E95-A369 WeakPolarHBondContact O-CB 3.44Å; E95-A369 PolarHBondContact O-N 2.85Å; E95-A369 VanDerWaalsContact O-N 3.1Å; D98-A369 HydrophobicContact CB-CB 4.41Å; C367-A369 PolarHBondContact O-N 2.84Å; A369-K381 WeakPolarHBondContact O-CD 3.49Å; A369-K381 WeakPolarHBondContact O-CE 3.47Å; A369-K381 WeakPolarHBondContact O-CG 3.45Å
370T88.6Confident90.8Very high60 Ų6037 Ų3737%0.36823%0.225SC..SBendtrans-141.5168.9177.846.60000109.8E95 T368 M372E95-T370 WeakPolarHBondContact OE2-CB 3.42Å; E95-T370 WeakPolarHBondContact OE2-CG2 3.31Å; E95-T370 PolarHBondContact OE2-OG1 3.39Å; T368-T370 VanDerWaalsContact C-N 3.31Å; T368-T370 WeakPolarHBondContact CB-O 3.41Å; T370-M372 PolarHBondContact O-N 3.4Å
371D89.3Confident90.6Very high111 Ų11142.7 Ų42.759%0.59425%0.249SC*.  trans-60.1126170.7-70.16.6000109L379 P380 K381D371-L379 WeakPolarHBondContact CA-O 3.08Å; D371-P380 WeakPolarHBondContact OD1-CA 3.48Å; D371-K381 WeakPolarHBondContact OD1-CB 3.23Å; D371-K381 PolarHBondContact OD1-N 2.84Å
372M86.5Confident90.4Very high10 Ų1043 Ų435%0.04926%0.261CS..EExtended strand (participates in β ladder)trans-129.4132.2-168.3172.6175.9158.200110.8Q94 L96 T368 T370 L374 L379Q94-M372 HydrophobicContact CB-CE 3.69Å; Q94-M372 HydrophobicContact CB-SD 4Å; Q94-M372 HydrophobicContact CG-CE 3.61Å; Q94-M372 HydrophobicContact CG-SD 4.25Å; L96-M372 HydrophobicContact CD2-SD 4.06Å; L96-M372 HydrophobicContact CG-CE 4.36Å; L96-M372 HydrophobicContact CG-SD 4.07Å; T368-M372 HydrophobicContact CG2-CB 4.27Å; T368-M372 HydrophobicContact CG2-SD 4.37Å; T370-M372 PolarHBondContact O-N 3.4Å; M372-L374 HydrophobicContact CE-CB 4.16Å; M372-L374 HydrophobicContact CE-CD1 3.97Å; M372-L374 HydrophobicContact CE-CG 4.47Å; M372-L379 PolarHBondContact N-O 2.87Å; M372-L379 PolarHBondContact O-N 3.48Å
373Q87.9Confident90.4Very high116 Ų11642.6 Ų42.654%0.54226%0.259SS..EExtended strand (participates in β ladder)trans-88.2128.9168.5-169.7168.414.900109.8G375 F377Q373-G375 WeakPolarHBondContact CG-O 3.32Å; Q373-G375 PolarHBondContact NE2-O 2.88Å; Q373-F377 WeakPolarHBondContact CA-O 3.49Å
374L87.2Confident90.4Very high5 Ų541.5 Ų41.53%0.02626%0.255CS..EExtended strand (participates in β ladder)trans-129.2104.5174.6-175.464.6000108.7V66 L79 A88 M372 G376 F377 L379V66-L374 HydrophobicContact CG1-CD2 4.27Å; L79-L374 HydrophobicContact CD1-CD2 4.02Å; L79-L374 HydrophobicContact CD2-CD2 3.41Å; L79-L374 VanDerWaalsContact CD2-CD2 3.41Å; L79-L374 HydrophobicContact CG-CD2 4.38Å; A88-L374 HydrophobicContact CB-CD1 4.28Å; M372-L374 HydrophobicContact CE-CB 4.16Å; M372-L374 HydrophobicContact CE-CD1 3.97Å; M372-L374 HydrophobicContact CE-CG 4.47Å; L374-G376 PolarHBondContact O-N 3.44Å; L374-F377 PolarHBondContact N-O 3.33Å; L374-F377 WeakPolarHBondContact O-CB 3.27Å; L374-F377 WeakPolarHBondContact O-CD2 3.45Å; L374-F377 PolarHBondContact O-N 3.08Å; L374-L379 HydrophobicContact CB-CD1 4.36Å; L374-L379 HydrophobicContact CD2-CD1 4.31Å
375G83.3Confident90.5Very high53 Ų5340.6 Ų40.655%0.54625%0.249SC..THydrogen-bonded Turntrans54.6-123.8-167.700000111.8Q373 F377Q373-G375 WeakPolarHBondContact CG-O 3.32Å; Q373-G375 PolarHBondContact NE2-O 2.88Å; G375-F377 VanDerWaalsContact C-N 3.29Å; G375-F377 PolarHBondContact O-N 3.44Å
376G85.8Confident90.7Very high53 Ų5339.8 Ų39.855%0.54624%0.243SC..THydrogen-bonded Turntrans-79.9-4.2176.900000115L374L374-G376 PolarHBondContact O-N 3.44Å
377F89.9Confident90.7Very high52 Ų5239.6 Ų39.623%0.22824%0.243CC..EExtended strand (participates in β ladder)trans-102.4149.2-170.3-52.1-64.6000112.7R30 W31 P32 V66 Q373 L374 G375R30-F377 CarbonylContact O-C 3.45Å; R30-F377 WeakPolarHBondContact O-CA 3.47Å; R30-F377 VanDerWaalsContact O-CB 3.29Å; R30-F377 WeakPolarHBondContact O-CB 3.38Å; R30-F377 WeakPolarHBondContact O-CD1 3.44Å; W31-F377 VanDerWaalsContact C-CD1 3.4Å; W31-F377 WeakPolarHBondContact O-CD1 3.49Å; W31-F377 WeakPolarHBondContact O-CE1 3.46Å; P32-F377 HydrophobicContact CB-CD1 4.35Å; P32-F377 HydrophobicContact CB-CD2 4.31Å; P32-F377 HydrophobicContact CB-CE1 4.38Å; P32-F377 HydrophobicContact CB-CE2 4.33Å; P32-F377 HydrophobicContact CB-CG 4.3Å; P32-F377 HydrophobicContact CB-CZ 4.37Å; P32-F377 HydrophobicContact CG-CB 3.98Å; P32-F377 HydrophobicContact CG-CD1 4.1Å; P32-F377 HydrophobicContact CG-CD2 3.93Å; P32-F377 HydrophobicContact CG-CE2 4.44Å; P32-F377 HydrophobicContact CG-CG 3.72Å; V66-F377 HydrophobicContact CB-CD2 4.25Å; V66-F377 HydrophobicContact CB-CE2 3.93Å; V66-F377 HydrophobicContact CG1-CD2 3.83Å; V66-F377 HydrophobicContact CG1-CE2 3.99Å; Q373-F377 WeakPolarHBondContact CA-O 3.49Å; L374-F377 PolarHBondContact N-O 3.33Å; L374-F377 WeakPolarHBondContact O-CB 3.27Å; L374-F377 WeakPolarHBondContact O-CD2 3.45Å; L374-F377 PolarHBondContact O-N 3.08Å; G375-F377 VanDerWaalsContact C-N 3.29Å; G375-F377 PolarHBondContact O-N 3.44Å
378L89.6Confident90.9Very high81 Ų8139.1 Ų39.142%0.42424%0.24SC..EExtended strand (participates in β ladder)trans-114.5115.7173.8-178.265.4000109.1R30R30-L378 HydrophobicContact CB-CB 4.15Å; R30-L378 PolarHBondContact O-N 2.9Å
379L90.4Very high91.2Very high1 Ų139.3 Ų39.31%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-103.2112.4-179.9-53-172.6000108.8W31 P32 V77 T368 D371 M372 L374 V385W31-L379 HydrophobicContact CE3-CD2 4.38Å; W31-L379 HydrophobicContact CZ3-CD2 4.22Å; P32-L379 HydrophobicContact CG-CD2 4.12Å; V77-L379 HydrophobicContact CG1-CD1 4.42Å; V77-L379 HydrophobicContact CG2-CD1 4.38Å; V77-L379 HydrophobicContact CG2-CD2 3.82Å; T368-L379 HydrophobicContact CG2-CB 4.06Å; T368-L379 HydrophobicContact CG2-CD1 4.41Å; D371-L379 WeakPolarHBondContact CA-O 3.08Å; M372-L379 PolarHBondContact N-O 2.87Å; M372-L379 PolarHBondContact O-N 3.48Å; L374-L379 HydrophobicContact CB-CD1 4.36Å; L374-L379 HydrophobicContact CD2-CD1 4.31Å; L379-V385 HydrophobicContact CD1-CG2 4.4Å
380P90.7Very high91.6Very high50 Ų5038.5 Ų38.533%0.32523%0.234SC..  trans-59.7155.6175.2-23.434.5000111.8W31 T368 D371 T383W31-P380 VanDerWaalsContact CH2-CD 3.5Å; W31-P380 HydrophobicContact CH2-CG 4.21Å; W31-P380 HydrophobicContact CZ2-CG 3.72Å; T368-P380 PolarHBondContact OG1-O 3.1Å; D371-P380 WeakPolarHBondContact OD1-CA 3.48Å; P380-T383 VanDerWaalsContact O-CB 3.27Å; P380-T383 WeakPolarHBondContact O-CB 3.23Å; P380-T383 PolarHBondContact O-N 3.44Å; P380-T383 PolarHBondContact O-OG1 3.24Å
381K90.9Very high92Very high140 Ų14036.1 Ų36.161%0.60922%0.22SC*.THydrogen-bonded Turntrans-51.1139.9168.5175.7173.7179.4174.30111T368 A369 D371 T383T368-K381 WeakPolarHBondContact OG1-CA 3.33Å; A369-K381 WeakPolarHBondContact O-CD 3.49Å; A369-K381 WeakPolarHBondContact O-CE 3.47Å; A369-K381 WeakPolarHBondContact O-CG 3.45Å; D371-K381 WeakPolarHBondContact OD1-CB 3.23Å; D371-K381 PolarHBondContact OD1-N 2.84Å; K381-T383 VanDerWaalsContact C-N 3.31Å
382G91.3Very high92.4Very high44 Ų4430.8 Ų30.845%0.45419%0.191SC..THydrogen-bonded Turntrans84.44.3179.900000113.8C367 T368 P384C367-G382 WeakPolarHBondContact SG-CA 3.44Å; C367-G382 PolarHBondContact SG-O 3.43Å; C367-G382 VanDerWaalsContact SG-O 3.39Å; T368-G382 PolarHBondContact O-N 3.26Å; T368-G382 PolarHBondContact OG1-N 3.46Å; T368-G382 VanDerWaalsContact OG1-N 3.12Å; G382-P384 VanDerWaalsContact O-CD 3.27Å; G382-P384 WeakPolarHBondContact O-CD 3.06Å
383T93.2Very high93Very high10 Ų1030.5 Ų30.56%0.06119%0.19CC..  trans-72.2119.8176.9-62.60000109.8W31 V77 C367 T368 P380 K381W31-T383 HydrophobicContact CH2-CG2 4.14Å; W31-T383 HydrophobicContact CZ3-CG2 4.04Å; V77-T383 HydrophobicContact CG2-CG2 3.87Å; C367-T383 WeakPolarHBondContact CA-O 3.44Å; T368-T383 PolarHBondContact N-O 3Å; T368-T383 WeakPolarHBondContact OG1-CB 3.16Å; T368-T383 PolarHBondContact OG1-N 2.9Å; P380-T383 VanDerWaalsContact O-CB 3.27Å; P380-T383 WeakPolarHBondContact O-CB 3.23Å; P380-T383 PolarHBondContact O-N 3.44Å; P380-T383 PolarHBondContact O-OG1 3.24Å; K381-T383 VanDerWaalsContact C-N 3.31Å
384P95.6Very high93.4Very high13 Ų1325.6 Ų25.68%0.08417%0.167CC..EExtended strand (participates in β ladder)trans-65.1134.4170.9-16.830.9000110.9Q74 K75 T76 V77 P100 R366 G382Q74-P384 HydrophobicContact CG-CG 3.97Å; K75-P384 WeakPolarHBondContact O-CD 3.35Å; T76-P384 WeakPolarHBondContact CA-O 3.37Å; T76-P384 HydrophobicContact CG2-CB 4.08Å; V77-P384 PolarHBondContact N-O 2.89Å; P100-P384 HydrophobicContact CB-CB 4.06Å; P100-P384 HydrophobicContact CB-CG 4.37Å; R366-P384 CarbonylContact O-C 3.51Å; R366-P384 WeakPolarHBondContact O-CA 3.46Å; G382-P384 VanDerWaalsContact O-CD 3.27Å; G382-P384 WeakPolarHBondContact O-CD 3.06Å
385V96.3Very high93.8Very high0 Ų026.5 Ų26.50%017%0.172CC..EExtended strand (participates in β ladder)trans-129.8129.4-179.8-175.80000109.8V77 L79 L96 R366 T368 L379 P387V77-V385 HydrophobicContact CB-CG2 4.38Å; V77-V385 CarbonylContact O-C 3.6Å; V77-V385 VanDerWaalsContact O-CA 3.26Å; V77-V385 WeakPolarHBondContact O-CA 3.48Å; L79-V385 HydrophobicContact CD1-CG1 3.52Å; L79-V385 HydrophobicContact CD2-CG1 4.43Å; L79-V385 HydrophobicContact CG-CG1 3.67Å; L96-V385 HydrophobicContact CD1-CB 4.42Å; L96-V385 HydrophobicContact CD1-CG1 4.03Å; L96-V385 HydrophobicContact CD2-CB 4.16Å; L96-V385 HydrophobicContact CD2-CG2 3.78Å; R366-V385 HydrophobicContact CB-CB 4.39Å; R366-V385 PolarHBondContact N-O 3.38Å; R366-V385 PolarHBondContact O-N 2.84Å; T368-V385 HydrophobicContact CG2-CG2 4.19Å; L379-V385 HydrophobicContact CD1-CG2 4.4Å; V385-P387 WeakPolarHBondContact O-CD 3.41Å
386I97.4Very high94.4Very high4 Ų431.6 Ų31.62%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-102.598.3172.9-64.3174.5000107.9L56 L71 T76 V77 V78 L79 H363 L388L56-I386 HydrophobicContact CD1-CD1 4.44Å; L56-I386 HydrophobicContact CD1-CG2 4.29Å; L71-I386 HydrophobicContact CD1-CD1 4.41Å; T76-I386 HydrophobicContact CG2-CD1 3.69Å; T76-I386 HydrophobicContact CG2-CG1 3.7Å; V77-I386 PolarHBondContact O-N 2.86Å; V78-I386 HydrophobicContact CG2-CB 4.35Å; V78-I386 HydrophobicContact CG2-CD1 4.48Å; L79-I386 PolarHBondContact N-O 2.84Å; H363-I386 HydrophobicContact CB-CG2 3.68Å; I386-L388 PolarHBondContact O-N 3.15Å
387P96.9Very high94.8Very high1 Ų134 Ų341%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-73.4102.7164.830.5-32.8000108.8V85 L89 H363 R366 V385 L389V85-P387 HydrophobicContact CG1-CB 4.09Å; L89-P387 HydrophobicContact CD1-CB 4.1Å; L89-P387 HydrophobicContact CD2-CB 4.13Å; L89-P387 HydrophobicContact CD2-CG 4.11Å; L89-P387 HydrophobicContact CG-CB 4.27Å; H363-P387 WeakPolarHBondContact CB-O 3.45Å; R366-P387 HydrophobicContact CG-CG 3.92Å; V385-P387 WeakPolarHBondContact O-CD 3.41Å; P387-L389 PolarHBondContact O-N 3.37Å; P387-L389 VanDerWaalsContact O-N 3.08Å
388L97.7Very high95.2Very high0 Ų034.5 Ų34.50%019%0.189CC..BIsolated β-bridgetrans-79.593.1-174.5-17261.4000110.4D53 L56 M57 L79 T80 P362 H363 I386 T390 S391D53-L388 HydrophobicContact CB-CD1 3.94Å; L56-L388 HydrophobicContact CB-CD2 3.81Å; L56-L388 HydrophobicContact CD1-CD1 4.45Å; M57-L388 HydrophobicContact CG-CD2 3.86Å; L79-L388 WeakPolarHBondContact O-CB 3.42Å; L79-L388 PolarHBondContact O-N 3.08Å; T80-L388 HydrophobicContact CG2-CB 4.09Å; T80-L388 HydrophobicContact CG2-CD2 3.79Å; P362-L388 CarbonylContact O-C 3.55Å; H363-L388 HydrophobicContact CB-CD1 4.43Å; I386-L388 PolarHBondContact O-N 3.15Å; L388-T390 VanDerWaalsContact C-N 3.3Å; L388-T390 PolarHBondContact O-N 2.92Å; L388-S391 PolarHBondContact O-N 3.13Å; L388-S391 VanDerWaalsContact O-N 3.15Å; L388-S391 PolarHBondContact O-OG 3.45Å
389L97.6Very high95.5Very high4 Ų430.9 Ų30.92%0.02117%0.17CC..Hα-helixtrans-63.1-34.7-178.6-57.9179.1000112.1V85 P362 P387 S391 V392 L393V85-L389 HydrophobicContact CG1-CD2 4.38Å; P362-L389 WeakPolarHBondContact O-CA 3.41Å; P362-L389 WeakPolarHBondContact O-CB 3.45Å; P362-L389 PolarHBondContact O-N 3.15Å; P387-L389 PolarHBondContact O-N 3.37Å; P387-L389 VanDerWaalsContact O-N 3.08Å; L389-S391 PolarHBondContact O-N 2.93Å; L389-V392 WeakPolarHBondContact O-CB 3.3Å; L389-V392 PolarHBondContact O-N 3.29Å; L389-L393 WeakPolarHBondContact O-CG 3.32Å; L389-L393 PolarHBondContact O-N 3Å
390T97Very high95.8Very high0 Ų039 Ų390%021%0.208CC..Hα-helixtrans-53.6-43.1173.5-59.10000111.5D53 M57 T359 P362 L388 V392 L393 L394D53-T390 HydrophobicContact CB-CG2 4.49Å; M57-T390 HydrophobicContact SD-CG2 3.71Å; T359-T390 HydrophobicContact CG2-CG2 4.16Å; P362-T390 VanDerWaalsContact CA-OG1 3.23Å; P362-T390 WeakPolarHBondContact CA-OG1 3.41Å; P362-T390 VanDerWaalsContact CB-OG1 3.23Å; P362-T390 WeakPolarHBondContact CB-OG1 3.26Å; P362-T390 PolarHBondContact O-N 2.82Å; L388-T390 VanDerWaalsContact C-N 3.3Å; L388-T390 PolarHBondContact O-N 2.92Å; T390-V392 PolarHBondContact O-N 3.31Å; T390-L393 PolarHBondContact O-N 3.47Å; T390-L394 HydrophobicContact CG2-CD1 3.72Å; T390-L394 HydrophobicContact CG2-CG 4.33Å; T390-L394 WeakPolarHBondContact O-CB 3.15Å; T390-L394 WeakPolarHBondContact O-CG 3.36Å; T390-L394 PolarHBondContact O-N 3.32Å
391S97.7Very high96.1Very high10 Ų1038.2 Ų38.27%0.0720%0.202CC..Hα-helixtrans-68-21.3178.9740000113.9T80 G81 L388 L389 D395T80-S391 WeakPolarHBondContact CA-OG 3.29Å; T80-S391 WeakPolarHBondContact CB-OG 3.46Å; G81-S391 PolarHBondContact N-OG 2.92Å; L388-S391 PolarHBondContact O-N 3.13Å; L388-S391 VanDerWaalsContact O-N 3.15Å; L388-S391 PolarHBondContact O-OG 3.45Å; L389-S391 PolarHBondContact O-N 2.93Å; S391-D395 WeakPolarHBondContact O-CB 3.45Å; S391-D395 PolarHBondContact O-N 2.8Å
392V97.9Very high96.4Very high0 Ų032.2 Ų32.20%018%0.177CC..Hα-helixtrans-81.9-43.5174.7-178.90000110.3F82 V85 L389 T390 L394 D395 W399 A422 L424F82-V392 HydrophobicContact CB-CG1 4.02Å; F82-V392 HydrophobicContact CD2-CG1 3.94Å; F82-V392 HydrophobicContact CG-CG1 4.46Å; V85-V392 HydrophobicContact CB-CG2 3.66Å; V85-V392 HydrophobicContact CG1-CG2 3.82Å; V85-V392 HydrophobicContact CG2-CG2 3.77Å; L389-V392 WeakPolarHBondContact O-CB 3.3Å; L389-V392 PolarHBondContact O-N 3.29Å; T390-V392 PolarHBondContact O-N 3.31Å; V392-L394 PolarHBondContact O-N 3.29Å; V392-D395 WeakPolarHBondContact O-CB 3.3Å; V392-D395 PolarHBondContact O-N 3.47Å; V392-W399 PolarHBondContact O-NE1 3.42Å; V392-A422 HydrophobicContact CG1-CB 4.38Å; V392-A422 WeakPolarHBondContact CG1-O 3.5Å; V392-L424 HydrophobicContact CG1-CD1 4.23Å; V392-L424 HydrophobicContact CG1-CG 4.47Å
393L97.8Very high96.6Very high3 Ų335 Ų352%0.01618%0.182CC..Hα-helixtrans-74.9-15.7-178.1-63.4175.7000112.9R356 T359 L389 T390 W399 F423 P425R356-L393 HydrophobicContact CG-CB 4.1Å; R356-L393 HydrophobicContact CG-CD2 4.14Å; R356-L393 WeakPolarHBondContact CG-O 3.33Å; R356-L393 PolarHBondContact NH1-O 3.18Å; T359-L393 HydrophobicContact CG2-CB 3.88Å; T359-L393 HydrophobicContact CG2-CD1 3.95Å; L389-L393 WeakPolarHBondContact O-CG 3.32Å; L389-L393 PolarHBondContact O-N 3Å; T390-L393 PolarHBondContact O-N 3.47Å; L393-W399 PolarHBondContact O-NE1 2.83Å; L393-F423 HydrophobicContact CD2-CD2 4.42Å; L393-P425 HydrophobicContact CD1-CB 4.44Å
394L96.4Very high96.7Very high13 Ų1340.3 Ų40.37%0.06821%0.206CC..THydrogen-bonded Turntrans-115.114.6174-57-178.9000113M57 T359 T390 V392 E396 P402M57-L394 HydrophobicContact CE-CB 4.3Å; M57-L394 HydrophobicContact CE-CD1 4.28Å; M57-L394 HydrophobicContact SD-CD1 4.41Å; T359-L394 HydrophobicContact CG2-CG 4.42Å; T390-L394 HydrophobicContact CG2-CD1 3.72Å; T390-L394 HydrophobicContact CG2-CG 4.33Å; T390-L394 WeakPolarHBondContact O-CB 3.15Å; T390-L394 WeakPolarHBondContact O-CG 3.36Å; T390-L394 PolarHBondContact O-N 3.32Å; V392-L394 PolarHBondContact O-N 3.29Å; L394-E396 PolarHBondContact O-N 2.82Å; L394-E396 VanDerWaalsContact O-N 3.14Å; L394-P402 HydrophobicContact CB-CB 4.22Å; L394-P402 HydrophobicContact CD2-CB 4.3Å; L394-P402 VanDerWaalsContact CD2-O 3.27Å; L394-P402 WeakPolarHBondContact CD2-O 3.36Å; L394-P402 WeakPolarHBondContact O-CB 3.26Å
395D96.5Very high96.8Very high24 Ų2440.8 Ų40.813%0.12821%0.207CC..  trans-64.9110179.7-168-32.1000111.3F82 S391 V392 T397 Q398 W399F82-D395 WeakPolarHBondContact CB-OD2 3.17Å; F82-D395 PolarHBondContact N-OD2 3.45Å; S391-D395 WeakPolarHBondContact O-CB 3.45Å; S391-D395 PolarHBondContact O-N 2.8Å; V392-D395 WeakPolarHBondContact O-CB 3.3Å; V392-D395 PolarHBondContact O-N 3.47Å; D395-T397 PolarHBondContact O-N 3.46Å; D395-T397 VanDerWaalsContact O-N 3.08Å; D395-T397 VanDerWaalsContact OD1-CB 3.32Å; D395-T397 WeakPolarHBondContact OD1-CB 3.37Å; D395-T397 PolarHBondContact OD1-N 2.96Å; D395-T397 PolarHBondContact OD1-OG1 3.14Å; D395-Q398 HydrophobicContact CB-CB 4.16Å; D395-Q398 HydrophobicContact CB-CG 3.9Å; D395-Q398 PolarHBondContact O-N 3.22Å; D395-W399 PolarHBondContact O-N 3.49Å
396E95.7Very high96.9Very high160 Ų16043 Ų4375%0.74822%0.219SC*.THydrogen-bonded Turntrans-59.1-20.3179.3-67.2179.6176.300113.5L394 Q398 P402L394-E396 PolarHBondContact O-N 2.82Å; L394-E396 VanDerWaalsContact O-N 3.14Å; E396-Q398 VanDerWaalsContact C-N 3.29Å; E396-P402 HydrophobicContact CG-CG 3.83Å
397T95.4Very high97Very high105 Ų10543.2 Ų43.264%0.64422%0.22SC*.THydrogen-bonded Turntrans-80-14175.374.40000113.1D395D395-T397 PolarHBondContact O-N 3.46Å; D395-T397 VanDerWaalsContact O-N 3.08Å; D395-T397 VanDerWaalsContact OD1-CB 3.32Å; D395-T397 WeakPolarHBondContact OD1-CB 3.37Å; D395-T397 PolarHBondContact OD1-N 2.96Å; D395-T397 PolarHBondContact OD1-OG1 3.14Å
398Q96.8Very high97Very high62 Ų6244.8 Ų44.829%0.2924%0.237SC..THydrogen-bonded Turntrans-113-28.4-177.3-54.8-56.8-63.500112.5F82 D395 E396 A422F82-Q398 HydrophobicContact CB-CG 3.72Å; F82-Q398 HydrophobicContact CD1-CG 4.04Å; F82-Q398 HydrophobicContact CG-CG 4.09Å; D395-Q398 HydrophobicContact CB-CB 4.16Å; D395-Q398 HydrophobicContact CB-CG 3.9Å; D395-Q398 PolarHBondContact O-N 3.22Å; E396-Q398 VanDerWaalsContact C-N 3.29Å; Q398-A422 HydrophobicContact CB-CB 3.74Å; Q398-A422 HydrophobicContact CG-CB 3.77Å
399W97.3Very high97.1Very high4 Ų445.5 Ų45.52%0.01524%0.24CC..  trans-123129.9-175.5-47.8101.2000110.2R356 V392 L393 D395 P402 H409 F410 Q420 A422 F423R356-W399 VanDerWaalsContact CD-CE3 3.4Å; R356-W399 HydrophobicContact CG-CD2 4.44Å; R356-W399 HydrophobicContact CG-CH2 4.08Å; R356-W399 HydrophobicContact CG-CZ2 3.96Å; R356-W399 HydrophobicContact CG-CZ3 4.37Å; V392-W399 PolarHBondContact O-NE1 3.42Å; L393-W399 PolarHBondContact O-NE1 2.83Å; D395-W399 PolarHBondContact O-N 3.49Å; W399-P402 HydrophobicContact CB-CB 4.08Å; W399-P402 WeakPolarHBondContact O-CD 3.47Å; W399-H409 HydrophobicContact CE3-CB 3.84Å; W399-H409 AromaticContact CE3-CG 3.97Å; W399-H409 HydrophobicContact CZ3-CB 4Å; W399-F410 AromaticContact CH2-CE1 3.82Å; W399-F410 HydrophobicContact CH2-CE1 3.82Å; W399-F410 HydrophobicContact CH2-CE2 4.35Å; W399-F410 AromaticContact CH2-CZ 3.48Å; W399-F410 HydrophobicContact CH2-CZ 3.48Å; W399-F410 VanDerWaalsContact CH2-CZ 3.48Å; W399-F410 AromaticContact CZ3-CE1 3.88Å; W399-F410 HydrophobicContact CZ3-CE1 3.88Å; W399-F410 AromaticContact CZ3-CE2 3.94Å; W399-F410 HydrophobicContact CZ3-CE2 3.94Å; W399-F410 AromaticContact CZ3-CZ 3.46Å; W399-F410 HydrophobicContact CZ3-CZ 3.46Å; W399-F410 VanDerWaalsContact CZ3-CZ 3.46Å; W399-Q420 HydrophobicContact CH2-CB 3.8Å; W399-Q420 HydrophobicContact CH2-CG 4.08Å; W399-Q420 HydrophobicContact CZ3-CB 4.06Å; W399-Q420 HydrophobicContact CZ3-CG 3.79Å; W399-A422 HydrophobicContact CZ2-CB 3.86Å; W399-F423 HydrophobicContact CH2-CB 4.22Å; W399-F423 HydrophobicContact CH2-CD2 4.47Å
400Q95.9Very high97.1Very high173 Ų17345.3 Ų45.381%0.80824%0.239SC*.SBendtrans-66.8-39.3-176.7-172.1-177.511.500112.7
401T97.6Very high97.2Very high33 Ų3347 Ų4720%0.20225%0.248CC..SBendtrans-133.668.4-179.451.90000110D403 Q404 N406 H409T401-D403 VanDerWaalsContact C-N 3.31Å; T401-D403 PolarHBondContact O-N 3.37Å; T401-Q404 PolarHBondContact O-N 3.14Å; T401-N406 PolarHBondContact OG1-ND2 3.48Å; T401-N406 VanDerWaalsContact OG1-ND2 3.1Å; T401-H409 PolarHBondContact N-NE2 3.24Å; T401-H409 VanDerWaalsContact N-NE2 3.12Å; T401-H409 PolarHBondContact O-CE1 3.19Å; T401-H409 PolarHBondContact OG1-CE1 3.39Å; T401-H409 PolarHBondContact OG1-NE2 2.86Å; T401-H409 VanDerWaalsContact OG1-NE2 3.13Å
402P96.3Very high97.1Very high13 Ų1349.5 Ų49.58%0.08426%0.26CS..THydrogen-bonded Turntrans-60.3-36.5-166.419.3-28.6000113.6R356 L394 E396 W399 Q404R356-P402 VanDerWaalsContact CZ-O 3.31Å; R356-P402 PolarHBondContact NH1-O 3.31Å; R356-P402 PolarHBondContact NH2-O 2.85Å; L394-P402 HydrophobicContact CB-CB 4.22Å; L394-P402 HydrophobicContact CD2-CB 4.3Å; L394-P402 VanDerWaalsContact CD2-O 3.27Å; L394-P402 WeakPolarHBondContact CD2-O 3.36Å; L394-P402 WeakPolarHBondContact O-CB 3.26Å; E396-P402 HydrophobicContact CG-CG 3.83Å; W399-P402 HydrophobicContact CB-CB 4.08Å; W399-P402 WeakPolarHBondContact O-CD 3.47Å; P402-Q404 VanDerWaalsContact C-N 3.28Å; P402-Q404 PolarHBondContact O-N 3.01Å
403D94.9Very high96.9Very high103 Ų10354.7 Ų54.755%0.55130%0.304SS*.THydrogen-bonded Turntrans-82.6-0.6180-64.4-51.5000114.2T401T401-D403 VanDerWaalsContact C-N 3.31Å; T401-D403 PolarHBondContact O-N 3.37Å
404Q96.6Very high96.8Very high122 Ų12261 Ų6157%0.5734%0.337SS*.SBendtrans-107144.7178-58.3-175.730.800110.7E353 R356 T401 P402 N406E353-Q404 VanDerWaalsContact OE1-O 3.12Å; R356-Q404 PolarHBondContact NH2-O 2.84Å; T401-Q404 PolarHBondContact O-N 3.14Å; P402-Q404 VanDerWaalsContact C-N 3.28Å; P402-Q404 PolarHBondContact O-N 3.01Å; Q404-N406 PolarHBondContact O-N 3.39Å
405F98.1Very high96.7Very high23 Ų2362 Ų6210%0.10135%0.35CS..  trans-76.8100.1169.1-178.9-109.2000109.1L311 M312 H315 V318 V350 E353 V354 F357 P407L311-F405 HydrophobicContact CB-CE1 4.41Å; L311-F405 HydrophobicContact CB-CZ 4.28Å; L311-F405 HydrophobicContact CD1-CD2 4.04Å; L311-F405 HydrophobicContact CD1-CE2 3.85Å; L311-F405 HydrophobicContact CD1-CZ 4.36Å; L311-F405 HydrophobicContact CD2-CD2 4.44Å; L311-F405 HydrophobicContact CD2-CG 4.37Å; M312-F405 HydrophobicContact CE-CE1 4.06Å; M312-F405 HydrophobicContact CE-CZ 3.99Å; H315-F405 AromaticContact CD2-CD1 3.58Å; H315-F405 AromaticContact CG-CD1 3.98Å; H315-F405 AromaticContact NE2-CD1 3.89Å; V318-F405 HydrophobicContact CB-CE1 4.48Å; V318-F405 HydrophobicContact CG1-CE1 4.1Å; V318-F405 HydrophobicContact CG2-CE1 4.27Å; V350-F405 HydrophobicContact CG1-CZ 4.26Å; E353-F405 HydrophobicContact CB-CD2 4.47Å; E353-F405 HydrophobicContact CB-CE2 4.02Å; E353-F405 HydrophobicContact CG-CD2 3.56Å; E353-F405 HydrophobicContact CG-CE2 3.58Å; E353-F405 HydrophobicContact CG-CG 4.34Å; E353-F405 HydrophobicContact CG-CZ 4.4Å; V354-F405 HydrophobicContact CG2-CE2 3.8Å; V354-F405 HydrophobicContact CG2-CZ 3.99Å; F357-F405 HydrophobicContact CB-CD2 4.07Å; F357-F405 HydrophobicContact CD1-CD2 4.4Å; F357-F405 HydrophobicContact CD2-CB 4.08Å; F357-F405 HydrophobicContact CE2-CB 4.2Å; F357-F405 HydrophobicContact CG-CB 4.28Å; F357-F405 HydrophobicContact CG-CD2 4.14Å; F357-F405 HydrophobicContact CZ-CB 4.5Å; F405-P407 HydrophobicContact CE1-CG 4.43Å
406N98Very high96.7Very high47 Ų4766.1 Ų66.125%0.25137%0.369SS..  trans-134.497.9-173.5179.84.2000111.3E353 T401 Q404 G408 H409E353-N406 VanDerWaalsContact CD-C 3.48Å; E353-N406 VanDerWaalsContact CG-C 3.48Å; E353-N406 WeakPolarHBondContact CG-O 3.2Å; E353-N406 PolarHBondContact OE1-N 2.93Å; T401-N406 PolarHBondContact OG1-ND2 3.48Å; T401-N406 VanDerWaalsContact OG1-ND2 3.1Å; Q404-N406 PolarHBondContact O-N 3.39Å; N406-G408 PolarHBondContact O-N 3.36Å; N406-G408 WeakPolarHBondContact OD1-CA 3.36Å; N406-G408 PolarHBondContact OD1-N 3.28Å; N406-H409 PolarHBondContact O-N 3.16Å; N406-H409 VanDerWaalsContact O-N 3.12Å; N406-H409 PolarHBondContact O-ND1 3.36Å; N406-H409 VanDerWaalsContact O-ND1 3.15Å
407P98.4Very high96.8Very high7 Ų761.6 Ų61.65%0.04535%0.347CS..G310 helixtrans-56.8-21.6176.5-26.335.5000114V318 Y346 A349 V350 F405 H409 F410V318-P407 HydrophobicContact CG1-CG 3.94Å; V318-P407 HydrophobicContact CG2-CG 4.31Å; Y346-P407 HydrophobicContact CE2-CB 4.08Å; A349-P407 HydrophobicContact CB-CB 4.47Å; V350-P407 HydrophobicContact CG2-CB 3.79Å; V350-P407 HydrophobicContact CG2-CG 3.66Å; F405-P407 HydrophobicContact CE1-CG 4.43Å; P407-H409 PolarHBondContact O-N 3.48Å; P407-H409 VanDerWaalsContact O-N 3.13Å; P407-F410 PolarHBondContact O-N 2.94Å; P407-F410 VanDerWaalsContact O-N 3.12Å
408G98.1Very high96.9Very high35 Ų3559.1 Ų59.136%0.36133%0.332SS..G310 helixtrans-59-20.1175.900000114.4N406 F410 L411N406-G408 PolarHBondContact O-N 3.36Å; N406-G408 WeakPolarHBondContact OD1-CA 3.36Å; N406-G408 PolarHBondContact OD1-N 3.28Å; G408-F410 PolarHBondContact O-N 2.97Å; G408-F410 VanDerWaalsContact O-N 3.09Å; G408-L411 PolarHBondContact O-N 3.47Å; G408-L411 VanDerWaalsContact O-N 3.15Å
409H98.3Very high96.8Very high14 Ų1461.6 Ų61.67%0.06534%0.341CS..G310 helixtrans-58-22.9173.3-69.2144.5000114.2E353 R356 W399 T401 N406 P407 Q420E353-H409 IonicContact OE1-CE1 3.56Å; E353-H409 IonicContact OE1-ND1 3.42Å; E353-H409 PolarHBondContact OE1-ND1 2.99Å; E353-H409 VanDerWaalsContact OE1-ND1 3.09Å; E353-H409 IonicContact OE2-CG 2.87Å; E353-H409 IonicContact OE2-ND1 3.77Å; E353-H409 PolarHBondContact OE2-ND1 3.29Å; R356-H409 PolarHBondContact NE-ND1 3.34Å; W399-H409 HydrophobicContact CE3-CB 3.84Å; W399-H409 AromaticContact CE3-CG 3.97Å; W399-H409 HydrophobicContact CZ3-CB 4Å; T401-H409 PolarHBondContact N-NE2 3.24Å; T401-H409 VanDerWaalsContact N-NE2 3.12Å; T401-H409 PolarHBondContact O-CE1 3.19Å; T401-H409 PolarHBondContact OG1-CE1 3.39Å; T401-H409 PolarHBondContact OG1-NE2 2.86Å; T401-H409 VanDerWaalsContact OG1-NE2 3.13Å; N406-H409 PolarHBondContact O-N 3.16Å; N406-H409 VanDerWaalsContact O-N 3.12Å; N406-H409 PolarHBondContact O-ND1 3.36Å; N406-H409 VanDerWaalsContact O-ND1 3.15Å; P407-H409 PolarHBondContact O-N 3.48Å; P407-H409 VanDerWaalsContact O-N 3.13Å; H409-Q420 PolarHBondContact O-NE2 3.39Å
410F98.5Very high96.7Very high0 Ų064.7 Ų64.70%036%0.356CS..G310 helixtrans-113.817.3-177.9-63.8-81.5000112.8A349 H352 E353 R356 W399 P407 G408 F417 V418 Q420 F423A349-F410 HydrophobicContact CB-CB 3.77Å; H352-F410 HydrophobicContact CB-CD1 3.71Å; H352-F410 HydrophobicContact CB-CD2 3.75Å; H352-F410 HydrophobicContact CB-CE1 3.71Å; H352-F410 HydrophobicContact CB-CE2 3.76Å; H352-F410 HydrophobicContact CB-CG 3.72Å; H352-F410 HydrophobicContact CB-CZ 3.74Å; E353-F410 HydrophobicContact CB-CD2 4.12Å; E353-F410 HydrophobicContact CB-CE2 4.12Å; E353-F410 WeakPolarHBondContact OE2-CE2 3.34Å; R356-F410 HydrophobicContact CB-CE2 4.23Å; R356-F410 HydrophobicContact CB-CZ 4.17Å; W399-F410 AromaticContact CH2-CE1 3.82Å; W399-F410 HydrophobicContact CH2-CE1 3.82Å; W399-F410 HydrophobicContact CH2-CE2 4.35Å; W399-F410 AromaticContact CH2-CZ 3.48Å; W399-F410 HydrophobicContact CH2-CZ 3.48Å; W399-F410 VanDerWaalsContact CH2-CZ 3.48Å; W399-F410 AromaticContact CZ3-CE1 3.88Å; W399-F410 HydrophobicContact CZ3-CE1 3.88Å; W399-F410 AromaticContact CZ3-CE2 3.94Å; W399-F410 HydrophobicContact CZ3-CE2 3.94Å; W399-F410 AromaticContact CZ3-CZ 3.46Å; W399-F410 HydrophobicContact CZ3-CZ 3.46Å; W399-F410 VanDerWaalsContact CZ3-CZ 3.46Å; P407-F410 PolarHBondContact O-N 2.94Å; P407-F410 VanDerWaalsContact O-N 3.12Å; G408-F410 PolarHBondContact O-N 2.97Å; G408-F410 VanDerWaalsContact O-N 3.09Å; F410-F417 HydrophobicContact CB-CD2 4.15Å; F410-F417 HydrophobicContact CB-CE2 3.9Å; F410-F417 HydrophobicContact CD1-CE2 4.33Å; F410-F417 HydrophobicContact CG-CE2 4.41Å; F410-F417 WeakPolarHBondContact O-CA 3.33Å; F410-V418 PolarHBondContact O-N 3.44Å; F410-Q420 HydrophobicContact CD1-CG 4.36Å; F410-Q420 HydrophobicContact CE1-CB 4.38Å; F410-Q420 HydrophobicContact CE1-CG 4.33Å; F410-F423 HydrophobicContact CE1-CB 4.04Å; F410-F423 AromaticContact CE1-CD2 3.76Å; F410-F423 HydrophobicContact CE1-CD2 3.76Å; F410-F423 HydrophobicContact CE1-CE2 4.35Å; F410-F423 AromaticContact CE1-CG 3.91Å; F410-F423 HydrophobicContact CE1-CG 3.91Å; F410-F423 HydrophobicContact CZ-CB 4.48Å; F410-F423 AromaticContact CZ-CD2 3.5Å; F410-F423 HydrophobicContact CZ-CD2 3.5Å; F410-F423 AromaticContact CZ-CE2 3.92Å; F410-F423 HydrophobicContact CZ-CE2 3.92Å; F410-F423 HydrophobicContact CZ-CG 4.15Å
411L98Very high96.7Very high37 Ų3762.4 Ų62.419%0.19435%0.345CS..BIsolated β-bridgetrans-123.4138.9178.3-62.2168.6000109.9P345 Y346 A349 G408 H416P345-L411 HydrophobicContact CB-CD2 4.41Å; Y346-L411 HydrophobicContact CD2-CD1 3.68Å; Y346-L411 HydrophobicContact CE2-CD1 4.09Å; A349-L411 HydrophobicContact CB-CD1 4.18Å; A349-L411 HydrophobicContact CB-CD2 3.73Å; A349-L411 HydrophobicContact CB-CG 3.73Å; G408-L411 PolarHBondContact O-N 3.47Å; G408-L411 VanDerWaalsContact O-N 3.15Å; L411-H416 WeakPolarHBondContact CA-O 3.25Å
412D96.4Very high96.6Very high61 Ų6160.9 Ų60.933%0.32634%0.336SS..  trans-80.5-179.2166.368.217.3000111.7D414 G415 H416 V418D412-D414 PolarHBondContact O-N 3.48Å; D412-D414 WeakPolarHBondContact OD1-CA 3.34Å; D412-D414 PolarHBondContact OD1-N 3.26Å; D412-G415 PolarHBondContact O-N 3.16Å; D412-G415 VanDerWaalsContact O-N 3.08Å; D412-G415 PolarHBondContact OD1-N 3.31Å; D412-H416 PolarHBondContact N-O 2.92Å; D412-H416 IonicContact OD1-CG 3.68Å; D412-H416 PolarHBondContact OD1-N 3.4Å; D412-H416 IonicContact OD1-ND1 3.72Å; D412-H416 WeakPolarHBondContact OD2-CB 3.47Å; D412-H416 IonicContact OD2-CG 3.81Å; D412-H416 IonicContact OD2-ND1 3.63Å; D412-H416 PolarHBondContact OD2-ND1 2.95Å; D412-V418 HydrophobicContact CB-CG2 3.9Å
413A94.8Very high96.7Very high110 Ų11060.6 Ų60.691%0.90933%0.333SS*.THydrogen-bonded Turntrans-62.7-24.3-179.700000113.5
414D95.4Very high96.8Very high135 Ų13556.8 Ų56.872%0.72231%0.313SS*.THydrogen-bonded Turntrans-91.3-4.4179-62.1-47.7000112.1D412D412-D414 PolarHBondContact O-N 3.48Å; D412-D414 WeakPolarHBondContact OD1-CA 3.34Å; D412-D414 PolarHBondContact OD1-N 3.26Å
415G94.3Very high96.8Very high33 Ų3352.5 Ų52.534%0.3430%0.296SS..SBendtrans8315.1-179.400000114.2P345 D412P345-G415 WeakPolarHBondContact CB-O 3.38Å; D412-G415 PolarHBondContact O-N 3.16Å; D412-G415 VanDerWaalsContact O-N 3.08Å; D412-G415 PolarHBondContact OD1-N 3.31Å
416H96.3Very high96.7Very high111 Ų11152.7 Ų52.751%0.51430%0.297SS..  trans-77.3147.7170.6-50.6112.4000110.7L411 D412 V418L411-H416 WeakPolarHBondContact CA-O 3.25Å; D412-H416 PolarHBondContact N-O 2.92Å; D412-H416 IonicContact OD1-CG 3.68Å; D412-H416 PolarHBondContact OD1-N 3.4Å; D412-H416 IonicContact OD1-ND1 3.72Å; D412-H416 WeakPolarHBondContact OD2-CB 3.47Å; D412-H416 IonicContact OD2-CG 3.81Å; D412-H416 IonicContact OD2-ND1 3.63Å; D412-H416 PolarHBondContact OD2-ND1 2.95Å; H416-V418 PolarHBondContact O-N 3.03Å
417F97.7Very high96.6Very high65 Ų6551.2 Ų51.229%0.28529%0.29SS..BIsolated β-bridgetrans-70.8127.1176.1173.1-97.5000111.2P345 A349 H352 F410 K419P345-F417 HydrophobicContact CB-CB 3.81Å; A349-F417 HydrophobicContact CB-CD2 4.25Å; H352-F417 HydrophobicContact CB-CE2 4.32Å; H352-F417 AromaticContact CD2-CZ 3.7Å; H352-F417 AromaticContact CE1-CE2 3.77Å; H352-F417 AromaticContact CE1-CZ 3.35Å; H352-F417 WeakPolarHBondContact CE1-CZ 3.44Å; H352-F417 AromaticContact CG-CE2 3.74Å; H352-F417 AromaticContact CG-CZ 3.81Å; H352-F417 AromaticContact ND1-CE2 3.52Å; H352-F417 AromaticContact ND1-CZ 3.59Å; H352-F417 AromaticContact NE2-CZ 3.45Å; H352-F417 WeakPolarHBondContact NE2-CZ 3.41Å; F410-F417 HydrophobicContact CB-CD2 4.15Å; F410-F417 HydrophobicContact CB-CE2 3.9Å; F410-F417 HydrophobicContact CD1-CE2 4.33Å; F410-F417 HydrophobicContact CG-CE2 4.41Å; F410-F417 WeakPolarHBondContact O-CA 3.33Å; F417-K419 HydrophobicContact CE1-CB 3.96Å; F417-K419 HydrophobicContact CZ-CB 4.17Å
418V96.4Very high96.4Very high54 Ų5451.5 Ų51.533%0.32729%0.293SS..  trans-120.9117.8175.5-178.50000109.7F410 D412 H416 Q420F410-V418 PolarHBondContact O-N 3.44Å; D412-V418 HydrophobicContact CB-CG2 3.9Å; H416-V418 PolarHBondContact O-N 3.03Å; V418-Q420 PolarHBondContact O-N 3.13Å
419K94.6Very high96.1Very high114 Ų11451.3 Ų51.350%0.49629%0.29SS..  trans-77.9108.4173.1-174.9-176.9174.7-178.20109.9F417F417-K419 HydrophobicContact CE1-CB 3.96Å; F417-K419 HydrophobicContact CZ-CB 4.17Å
420Q95.6Very high95.8Very high68 Ų6858.9 Ų58.932%0.31832%0.318SS..  trans-66.9139.8173.9-61.4-64.2-3.500111.8W399 H409 F410 V418 A422 F423W399-Q420 HydrophobicContact CH2-CB 3.8Å; W399-Q420 HydrophobicContact CH2-CG 4.08Å; W399-Q420 HydrophobicContact CZ3-CB 4.06Å; W399-Q420 HydrophobicContact CZ3-CG 3.79Å; H409-Q420 PolarHBondContact O-NE2 3.39Å; F410-Q420 HydrophobicContact CD1-CG 4.36Å; F410-Q420 HydrophobicContact CE1-CB 4.38Å; F410-Q420 HydrophobicContact CE1-CG 4.33Å; V418-Q420 PolarHBondContact O-N 3.13Å; Q420-A422 PolarHBondContact O-N 2.93Å; Q420-F423 WeakPolarHBondContact O-CB 3.44Å; Q420-F423 PolarHBondContact O-N 3.09Å; Q420-F423 VanDerWaalsContact O-N 3.13Å
421E95.6Very high95.5Very high126 Ų12659.4 Ų59.459%0.58932%0.321SS*.THydrogen-bonded Turntrans-66.2-30176.1-62.4-161129.100112.7F82 K86 F423F82-E421 HydrophobicContact CE1-CB 4.45Å; F82-E421 HydrophobicContact CE2-CB 4.17Å; F82-E421 WeakPolarHBondContact CE2-O 3.48Å; F82-E421 HydrophobicContact CZ-CB 3.57Å; K86-E421 IonicContact NZ-OE1 2.77Å; K86-E421 PolarHBondContact NZ-OE1 3.16Å; K86-E421 IonicContact NZ-OE2 3.68Å; K86-E421 PolarHBondContact NZ-OE2 3.38Å; E421-F423 PolarHBondContact O-N 3.11Å
422A96.4Very high95.4Very high1 Ų159.6 Ų59.61%0.00832%0.323CS..THydrogen-bonded Turntrans-70.3-5.2175.500000113.3F82 V392 Q398 W399 Q420 L424F82-A422 HydrophobicContact CB-CB 4.32Å; F82-A422 HydrophobicContact CD1-CB 4.38Å; F82-A422 VanDerWaalsContact CD2-CA 3.5Å; F82-A422 HydrophobicContact CD2-CB 3.75Å; F82-A422 VanDerWaalsContact CE2-CA 3.5Å; F82-A422 HydrophobicContact CE2-CB 4.1Å; F82-A422 HydrophobicContact CG-CB 3.89Å; V392-A422 HydrophobicContact CG1-CB 4.38Å; V392-A422 WeakPolarHBondContact CG1-O 3.5Å; Q398-A422 HydrophobicContact CB-CB 3.74Å; Q398-A422 HydrophobicContact CG-CB 3.77Å; W399-A422 HydrophobicContact CZ2-CB 3.86Å; Q420-A422 PolarHBondContact O-N 2.93Å; A422-L424 PolarHBondContact O-N 3.49Å
423F97.7Very high95.4Very high7 Ų759.2 Ų59.23%0.03133%0.325CS..  trans-76.884.6174.8-172.3-112.3000111.7H352 Q355 R356 L393 W399 F410 Q420 E421 P425H352-F423 HydrophobicContact CB-CE2 4.16Å; H352-F423 HydrophobicContact CB-CZ 3.98Å; H352-F423 AromaticContact CD2-CD1 3.61Å; H352-F423 AromaticContact CD2-CE1 3.19Å; H352-F423 WeakPolarHBondContact CD2-CE1 3.37Å; H352-F423 AromaticContact CD2-CZ 3.53Å; H352-F423 AromaticContact CG-CZ 3.96Å; H352-F423 AromaticContact NE2-CE1 3.83Å; H352-F423 WeakPolarHBondContact O-CE2 3.39Å; Q355-F423 HydrophobicContact CB-CE2 3.95Å; Q355-F423 HydrophobicContact CB-CZ 3.81Å; R356-F423 HydrophobicContact CB-CD2 4.32Å; R356-F423 HydrophobicContact CB-CE2 4.18Å; L393-F423 HydrophobicContact CD2-CD2 4.42Å; W399-F423 HydrophobicContact CH2-CB 4.22Å; W399-F423 HydrophobicContact CH2-CD2 4.47Å; F410-F423 HydrophobicContact CE1-CB 4.04Å; F410-F423 AromaticContact CE1-CD2 3.76Å; F410-F423 HydrophobicContact CE1-CD2 3.76Å; F410-F423 HydrophobicContact CE1-CE2 4.35Å; F410-F423 AromaticContact CE1-CG 3.91Å; F410-F423 HydrophobicContact CE1-CG 3.91Å; F410-F423 HydrophobicContact CZ-CB 4.48Å; F410-F423 AromaticContact CZ-CD2 3.5Å; F410-F423 HydrophobicContact CZ-CD2 3.5Å; F410-F423 AromaticContact CZ-CE2 3.92Å; F410-F423 HydrophobicContact CZ-CE2 3.92Å; F410-F423 HydrophobicContact CZ-CG 4.15Å; Q420-F423 WeakPolarHBondContact O-CB 3.44Å; Q420-F423 PolarHBondContact O-N 3.09Å; Q420-F423 VanDerWaalsContact O-N 3.13Å; E421-F423 PolarHBondContact O-N 3.11Å; F423-P425 HydrophobicContact CD1-CG 4.15Å; F423-P425 HydrophobicContact CD2-CG 4.22Å; F423-P425 HydrophobicContact CE1-CG 3.66Å; F423-P425 HydrophobicContact CE2-CG 3.74Å; F423-P425 HydrophobicContact CG-CG 4.43Å; F423-P425 HydrophobicContact CZ-CG 3.48Å; F423-P425 VanDerWaalsContact CZ-CG 3.48Å; F423-P425 WeakPolarHBondContact O-CD 3.31Å
424L96.9Very high95.5Very high23 Ų2355.9 Ų55.912%0.1229%0.293CS..  trans-114.442.6-177.6-59.8-177.2000115.2F82 V392 A422 F426 S427 A428F82-L424 HydrophobicContact CD2-CD1 4.47Å; V392-L424 HydrophobicContact CG1-CD1 4.23Å; V392-L424 HydrophobicContact CG1-CG 4.47Å; A422-L424 PolarHBondContact O-N 3.49Å; L424-F426 PolarHBondContact O-N 2.95Å; L424-F426 VanDerWaalsContact O-N 3.17Å; L424-S427 PolarHBondContact O-N 3.5Å; L424-S427 VanDerWaalsContact O-N 3.07Å; L424-A428 HydrophobicContact CD2-CB 4.33Å
425P97Very high95.5Very high32 Ų3250.3 Ų50.321%0.20827%0.267CS..THydrogen-bonded Turntrans-65.7-20178.430.8-36.6000112.9Q355 L393 F423Q355-P425 HydrophobicContact CB-CB 4.34Å; Q355-P425 HydrophobicContact CB-CG 4.31Å; L393-P425 HydrophobicContact CD1-CB 4.44Å; F423-P425 HydrophobicContact CD1-CG 4.15Å; F423-P425 HydrophobicContact CD2-CG 4.22Å; F423-P425 HydrophobicContact CE1-CG 3.66Å; F423-P425 HydrophobicContact CE2-CG 3.74Å; F423-P425 HydrophobicContact CG-CG 4.43Å; F423-P425 HydrophobicContact CZ-CG 3.48Å; F423-P425 VanDerWaalsContact CZ-CG 3.48Å; F423-P425 WeakPolarHBondContact O-CD 3.31Å
426F97.2Very high95.6Very high27 Ų2750.7 Ų50.712%0.11826%0.26CS..THydrogen-bonded Turntrans-97.812.4177.1-63.3-73.7000113.5Q355 L424 C433 E436 A439 R440Q355-F426 VanDerWaalsContact NE2-CZ 3.27Å; L424-F426 PolarHBondContact O-N 2.95Å; L424-F426 VanDerWaalsContact O-N 3.17Å; F426-C433 HydrophobicContact CB-CB 3.81Å; F426-C433 HydrophobicContact CD1-CB 3.65Å; F426-C433 HydrophobicContact CG-CB 4.17Å; F426-C433 PolarHBondContact O-N 3.01Å; F426-E436 HydrophobicContact CB-CB 4.42Å; F426-E436 HydrophobicContact CB-CG 4.28Å; F426-E436 HydrophobicContact CD1-CB 4.07Å; F426-E436 HydrophobicContact CD1-CG 4.18Å; F426-E436 HydrophobicContact CD2-CB 4.47Å; F426-E436 HydrophobicContact CD2-CG 3.71Å; F426-E436 HydrophobicContact CE1-CB 4.44Å; F426-E436 HydrophobicContact CE1-CG 4.44Å; F426-E436 HydrophobicContact CE2-CG 4.01Å; F426-E436 HydrophobicContact CG-CB 4.07Å; F426-E436 HydrophobicContact CG-CG 3.79Å; F426-E436 HydrophobicContact CZ-CG 4.35Å; F426-A439 HydrophobicContact CE1-CB 4Å; F426-A439 HydrophobicContact CZ-CB 4.1Å; F426-R440 HydrophobicContact CE2-CG 4.28Å; F426-R440 HydrophobicContact CZ-CG 4.47Å
427S95.8Very high95.5Very high16 Ų1651.4 Ų51.411%0.11226%0.258CS..  trans60.1-162.8-170-161.50000111.8R366 L424R366-S427 PolarHBondContact NH2-OG 3.38Å; L424-S427 PolarHBondContact O-N 3.5Å; L424-S427 VanDerWaalsContact O-N 3.07Å
428A94.1Very high95.4Very high13 Ų1349.1 Ų49.111%0.10725%0.249CC..  trans-146.1173.3-179.500000112.3L89 A90 R366 L424L89-A428 HydrophobicContact CB-CB 3.94Å; L89-A428 HydrophobicContact CD1-CB 4.25Å; A90-A428 HydrophobicContact CB-CB 4.33Å; R366-A428 PolarHBondContact NH2-O 2.79Å; L424-A428 HydrophobicContact CD2-CB 4.33Å
429G92.2Very high95.4Very high30 Ų3047 Ų4731%0.30924%0.237SC..G310 helixtrans73.2-156.117500000114.6L89 R431 V432L89-G429 VanDerWaalsContact O-CA 3.26Å; L89-G429 WeakPolarHBondContact O-CA 3.41Å; G429-R431 PolarHBondContact O-N 2.69Å; G429-V432 WeakPolarHBondContact O-CB 3.44Å; G429-V432 WeakPolarHBondContact O-CG1 3.5Å; G429-V432 PolarHBondContact O-N 2.91Å
430R90.3Very high95.5Very high173 Ų17343.9 Ų43.965%0.65322%0.222SC*.G310 helixtrans-59.7-16.5-174.8-67.1-175175.61750.7114.8W122 R126W122-R430 HydrophobicContact CH2-CB 4.2Å; R126-R430 PolarHBondContact NE-O 3.35Å; R126-R430 PolarHBondContact NH2-O 3.16Å
431R93.3Very high95.5Very high12 Ų1241.6 Ų41.65%0.04521%0.213CC..G310 helixtrans-115.918.6-179.6-69.3-96.1-172170.54.2112.2A97 I114 F115 S117 W122 G429A97-R431 PolarHBondContact O-NE 3.09Å; A97-R431 PolarHBondContact O-NH2 2.77Å; I114-R431 PolarHBondContact O-NH1 3.41Å; F115-R431 PolarHBondContact O-NH1 2.98Å; S117-R431 VanDerWaalsContact O-CZ 3.24Å; S117-R431 PolarHBondContact O-NH1 3.31Å; S117-R431 PolarHBondContact O-NH2 3.2Å; W122-R431 VanDerWaalsContact CD2-CZ 3.45Å; W122-R431 HydrophobicContact CH2-CG 4.04Å; W122-R431 HydrophobicContact CZ2-CG 3.64Å; W122-R431 VanDerWaalsContact NE1-CZ 3.29Å; W122-R431 VanDerWaalsContact NE1-NH1 3.1Å; G429-R431 PolarHBondContact O-N 2.69Å
432V95.3Very high95.6Very high40 Ų4035.6 Ų35.624%0.24219%0.185CC..SBendtrans-49.5144.2166.666.30000109.7R126 G429 V434 E436R126-V432 PolarHBondContact NH1-O 3.43Å; R126-V432 PolarHBondContact NH2-O 2.96Å; G429-V432 WeakPolarHBondContact O-CB 3.44Å; G429-V432 WeakPolarHBondContact O-CG1 3.5Å; G429-V432 PolarHBondContact O-N 2.91Å; V432-V434 PolarHBondContact O-N 2.82Å; V432-E436 WeakPolarHBondContact CG2-OE2 3.37Å
433C97.4Very high95.7Very high54 Ų5435.8 Ų35.837%0.36519%0.186SC..  trans-48.9126.4-175.4-1770000111.6F426 G435 E436F426-C433 HydrophobicContact CB-CB 3.81Å; F426-C433 HydrophobicContact CD1-CB 3.65Å; F426-C433 HydrophobicContact CG-CB 4.17Å; F426-C433 PolarHBondContact O-N 3.01Å; C433-G435 PolarHBondContact O-N 3.14Å; C433-G435 PolarHBondContact SG-N 3.48Å; C433-G435 VanDerWaalsContact SG-N 3.43Å; C433-E436 HydrophobicContact CB-CB 4.23Å; C433-E436 PolarHBondContact O-N 2.85Å
434V96Very high95.7Very high40 Ų4035.5 Ų35.524%0.24219%0.185CC..THydrogen-bonded Turntrans-69-27.9179.670.90000112T129 V130 L133 M293 V432T129-V434 HydrophobicContact CG2-CG2 3.88Å; V130-V434 HydrophobicContact CG2-CG2 3.71Å; L133-V434 HydrophobicContact CD1-CG2 4.16Å; M293-V434 HydrophobicContact SD-CG1 4.26Å; V432-V434 PolarHBondContact O-N 2.82Å
435G96.1Very high95.8Very high17 Ų1734.4 Ų34.418%0.17518%0.179CC..THydrogen-bonded Turntrans-92.88.1179.100000114.7C433 R437 L438 A439C433-G435 PolarHBondContact O-N 3.14Å; C433-G435 PolarHBondContact SG-N 3.48Å; C433-G435 VanDerWaalsContact SG-N 3.43Å; G435-R437 VanDerWaalsContact C-N 3.34Å; G435-R437 PolarHBondContact O-N 3.42Å; G435-L438 PolarHBondContact O-N 2.68Å; G435-L438 VanDerWaalsContact O-N 3.13Å; G435-A439 PolarHBondContact O-N 2.85Å
436E95.9Very high95.8Very high42 Ų4232.9 Ų32.920%0.19617%0.169CC..Hα-helixtrans-54.2-47.4-173.8174.7174.4-170.500112.8F426 V432 C433 L438 A439 R440F426-E436 HydrophobicContact CB-CB 4.42Å; F426-E436 HydrophobicContact CB-CG 4.28Å; F426-E436 HydrophobicContact CD1-CB 4.07Å; F426-E436 HydrophobicContact CD1-CG 4.18Å; F426-E436 HydrophobicContact CD2-CB 4.47Å; F426-E436 HydrophobicContact CD2-CG 3.71Å; F426-E436 HydrophobicContact CE1-CB 4.44Å; F426-E436 HydrophobicContact CE1-CG 4.44Å; F426-E436 HydrophobicContact CE2-CG 4.01Å; F426-E436 HydrophobicContact CG-CB 4.07Å; F426-E436 HydrophobicContact CG-CG 3.79Å; F426-E436 HydrophobicContact CZ-CG 4.35Å; V432-E436 WeakPolarHBondContact CG2-OE2 3.37Å; C433-E436 HydrophobicContact CB-CB 4.23Å; C433-E436 PolarHBondContact O-N 2.85Å; E436-L438 VanDerWaalsContact C-N 3.33Å; E436-L438 PolarHBondContact O-N 3.02Å; E436-A439 PolarHBondContact O-N 3.07Å; E436-R440 HydrophobicContact CG-CG 4.42Å; E436-R440 VanDerWaalsContact O-CG 3.32Å; E436-R440 WeakPolarHBondContact O-CG 3.49Å; E436-R440 PolarHBondContact O-N 2.98Å; E436-R440 IonicContact OE1-CZ 3.7Å; E436-R440 IonicContact OE1-NE 3.79Å; E436-R440 PolarHBondContact OE1-NE 3.17Å; E436-R440 IonicContact OE1-NH2 3.37Å; E436-R440 PolarHBondContact OE1-NH2 2.9Å
437R94.4Very high95.9Very high126 Ų12631.8 Ų31.848%0.47516%0.164SC..Hα-helixtrans-62.3-42-179.5-69.2-176.672.1-133.2-1.8111.6V138 G139 G435 T441V138-R437 HydrophobicContact CG1-CB 4.08Å; V138-R437 PolarHBondContact O-NH1 3.06Å; G139-R437 PolarHBondContact O-NH2 3.17Å; G139-R437 VanDerWaalsContact O-NH2 3.15Å; G435-R437 VanDerWaalsContact C-N 3.34Å; G435-R437 PolarHBondContact O-N 3.42Å; R437-T441 PolarHBondContact O-N 2.85Å; R437-T441 PolarHBondContact O-OG1 3.33Å
438L95.5Very high96Very high16 Ų1631 Ų318%0.08416%0.159CC..Hα-helixtrans-64.5-51.4177.8179.162.8000111V138 V143 L182 G435 E436 R440 T441 E442V138-L438 HydrophobicContact CG1-CB 3.83Å; V143-L438 HydrophobicContact CG1-CD1 3.88Å; L182-L438 HydrophobicContact CD1-CD1 3.62Å; L182-L438 HydrophobicContact CD1-CD2 3.45Å; L182-L438 VanDerWaalsContact CD1-CD2 3.45Å; L182-L438 HydrophobicContact CD1-CG 4.18Å; G435-L438 PolarHBondContact O-N 2.68Å; G435-L438 VanDerWaalsContact O-N 3.13Å; E436-L438 VanDerWaalsContact C-N 3.33Å; E436-L438 PolarHBondContact O-N 3.02Å; L438-R440 VanDerWaalsContact C-N 3.32Å; L438-R440 PolarHBondContact O-N 2.87Å; L438-T441 PolarHBondContact O-N 3.07Å; L438-E442 HydrophobicContact CD1-CG 4.03Å; L438-E442 VanDerWaalsContact CD1-OE1 3.24Å; L438-E442 WeakPolarHBondContact CD1-OE1 3.33Å; L438-E442 WeakPolarHBondContact CD2-OE1 3.31Å; L438-E442 HydrophobicContact CG-CG 4.24Å; L438-E442 WeakPolarHBondContact CG-OE1 3.2Å; L438-E442 WeakPolarHBondContact O-CB 3.43Å; L438-E442 WeakPolarHBondContact O-CG 3.14Å; L438-E442 PolarHBondContact O-N 3.3Å
439A97Very high96.2Very high10 Ų1030.7 Ų30.78%0.08316%0.156CC..Hα-helixtrans-59.1-41.4-178.600000112.2F426 G435 E436 L443F426-A439 HydrophobicContact CE1-CB 4Å; F426-A439 HydrophobicContact CZ-CB 4.1Å; G435-A439 PolarHBondContact O-N 2.85Å; E436-A439 PolarHBondContact O-N 3.07Å; A439-L443 VanDerWaalsContact O-CB 3.28Å; A439-L443 WeakPolarHBondContact O-CB 3.43Å; A439-L443 WeakPolarHBondContact O-CD1 3.42Å; A439-L443 WeakPolarHBondContact O-CG 3.33Å; A439-L443 PolarHBondContact O-N 2.71Å
440R96.3Very high96.4Very high48 Ų4829.4 Ų29.418%0.18114%0.142CC..Hα-helixtrans-60.2-47.5176.1-73.2172.4177.9-104-4.9111.8F426 E436 L438 F444F426-R440 HydrophobicContact CE2-CG 4.28Å; F426-R440 HydrophobicContact CZ-CG 4.47Å; E436-R440 HydrophobicContact CG-CG 4.42Å; E436-R440 VanDerWaalsContact O-CG 3.32Å; E436-R440 WeakPolarHBondContact O-CG 3.49Å; E436-R440 PolarHBondContact O-N 2.98Å; E436-R440 IonicContact OE1-CZ 3.7Å; E436-R440 IonicContact OE1-NE 3.79Å; E436-R440 PolarHBondContact OE1-NE 3.17Å; E436-R440 IonicContact OE1-NH2 3.37Å; E436-R440 PolarHBondContact OE1-NH2 2.9Å; L438-R440 VanDerWaalsContact C-N 3.32Å; L438-R440 PolarHBondContact O-N 2.87Å; R440-F444 VanDerWaalsContact O-CB 3.31Å; R440-F444 WeakPolarHBondContact O-CB 3.5Å; R440-F444 PolarHBondContact O-N 3.27Å
441T95.7Very high96.8Very high20 Ų2021.2 Ų21.212%0.12311%0.111CC..Hα-helixtrans-67.3-43.9179.3-54.70000111.8I147 P338 R437 L438 F444 L445I147-T441 HydrophobicContact CD1-CG2 3.71Å; P338-T441 HydrophobicContact CB-CG2 4.39Å; P338-T441 HydrophobicContact CG-CG2 4.17Å; R437-T441 PolarHBondContact O-N 2.85Å; R437-T441 PolarHBondContact O-OG1 3.33Å; L438-T441 PolarHBondContact O-N 3.07Å; T441-F444 PolarHBondContact O-N 2.82Å; T441-L445 HydrophobicContact CG2-CD1 3.82Å; T441-L445 HydrophobicContact CG2-CG 4.3Å; T441-L445 WeakPolarHBondContact O-CG 3.38Å; T441-L445 PolarHBondContact O-N 3.37Å
442E97.1Very high96.9Very high0 Ų022 Ų220%012%0.116CC..Hα-helixtrans-58.8-52.3176.3-76.5-179.4-166.300111.6I147 I178 T301 L438 F444 L445 L446I147-E442 HydrophobicContact CD1-CG 3.85Å; I147-E442 HydrophobicContact CG1-CG 4.06Å; I178-E442 HydrophobicContact CD1-CG 4.08Å; I178-E442 HydrophobicContact CG2-CG 4.11Å; I178-E442 WeakPolarHBondContact CG2-OE1 3.47Å; T301-E442 HydrophobicContact CG2-CB 4.1Å; T301-E442 WeakPolarHBondContact CG2-OE2 3.32Å; L438-E442 HydrophobicContact CD1-CG 4.03Å; L438-E442 VanDerWaalsContact CD1-OE1 3.24Å; L438-E442 WeakPolarHBondContact CD1-OE1 3.33Å; L438-E442 WeakPolarHBondContact CD2-OE1 3.31Å; L438-E442 HydrophobicContact CG-CG 4.24Å; L438-E442 WeakPolarHBondContact CG-OE1 3.2Å; L438-E442 WeakPolarHBondContact O-CB 3.43Å; L438-E442 WeakPolarHBondContact O-CG 3.14Å; L438-E442 PolarHBondContact O-N 3.3Å; E442-F444 VanDerWaalsContact C-N 3.32Å; E442-F444 PolarHBondContact O-N 2.98Å; E442-L445 PolarHBondContact O-N 3.04Å; E442-L446 VanDerWaalsContact O-CB 3.23Å; E442-L446 WeakPolarHBondContact O-CB 3.43Å; E442-L446 WeakPolarHBondContact O-CG 3.43Å; E442-L446 PolarHBondContact O-N 2.87Å
443L98.3Very high97Very high6 Ų623.6 Ų23.63%0.03112%0.119CC..Hα-helixtrans-60.2-44.4-179.3-71.2170.1000111.2T301 T304 L305 L351 A439 F447T301-L443 HydrophobicContact CG2-CD2 3.76Å; T301-L443 HydrophobicContact CG2-CG 3.96Å; T304-L443 HydrophobicContact CG2-CD1 3.69Å; T304-L443 HydrophobicContact CG2-CD2 3.69Å; T304-L443 HydrophobicContact CG2-CG 4.36Å; L305-L443 HydrophobicContact CB-CD2 4.27Å; L351-L443 HydrophobicContact CD2-CB 4.48Å; A439-L443 VanDerWaalsContact O-CB 3.28Å; A439-L443 WeakPolarHBondContact O-CB 3.43Å; A439-L443 WeakPolarHBondContact O-CD1 3.42Å; A439-L443 WeakPolarHBondContact O-CG 3.33Å; A439-L443 PolarHBondContact O-N 2.71Å; L443-F447 WeakPolarHBondContact O-CB 3.3Å; L443-F447 PolarHBondContact O-N 3.3Å
444F98.2Very high97Very high1 Ų121 Ų210%0.00410%0.102CC..Hα-helixtrans-61.8-55.2179.6176.4-99000112.5P336 Q337 D340 Q341 L344 T347 L351 R440 T441 E442 L446 F447 A448P336-F444 HydrophobicContact CB-CE1 4.5Å; Q337-F444 WeakPolarHBondContact O-CE1 3.26Å; D340-F444 HydrophobicContact CB-CE1 4.36Å; D340-F444 HydrophobicContact CB-CZ 4.12Å; Q341-F444 HydrophobicContact CB-CD1 4.28Å; Q341-F444 HydrophobicContact CB-CD2 4.05Å; Q341-F444 HydrophobicContact CB-CE1 4.08Å; Q341-F444 HydrophobicContact CB-CE2 3.82Å; Q341-F444 HydrophobicContact CB-CG 4.27Å; Q341-F444 HydrophobicContact CB-CZ 3.83Å; Q341-F444 HydrophobicContact CG-CD2 3.87Å; Q341-F444 HydrophobicContact CG-CE2 3.96Å; Q341-F444 HydrophobicContact CG-CG 4.31Å; Q341-F444 HydrophobicContact CG-CZ 4.47Å; L344-F444 HydrophobicContact CD1-CE2 4.19Å; L344-F444 HydrophobicContact CD1-CZ 3.81Å; T347-F444 HydrophobicContact CG2-CE2 4.28Å; L351-F444 HydrophobicContact CD1-CB 4.14Å; L351-F444 HydrophobicContact CD1-CD2 4.04Å; R440-F444 VanDerWaalsContact O-CB 3.31Å; R440-F444 WeakPolarHBondContact O-CB 3.5Å; R440-F444 PolarHBondContact O-N 3.27Å; T441-F444 PolarHBondContact O-N 2.82Å; E442-F444 VanDerWaalsContact C-N 3.32Å; E442-F444 PolarHBondContact O-N 2.98Å; F444-L446 PolarHBondContact O-N 3.48Å; F444-F447 PolarHBondContact O-N 3.14Å; F444-A448 WeakPolarHBondContact O-CB 3.36Å; F444-A448 PolarHBondContact O-N 2.81Å
445L97.9Very high97.1Very high0 Ų022.3 Ų22.30%011%0.105CC..Hα-helixtrans-66.3-41.4-175.9-66.1178.2000112.2A144 I147 L148 P336 P338 T441 E442 G449A144-L445 HydrophobicContact CB-CD1 3.95Å; I147-L445 HydrophobicContact CB-CD1 3.88Å; I147-L445 HydrophobicContact CD1-CD1 3.99Å; I147-L445 HydrophobicContact CG2-CB 3.65Å; I147-L445 HydrophobicContact CG2-CD1 3.78Å; I147-L445 HydrophobicContact CG2-CG 4.35Å; L148-L445 HydrophobicContact CD2-CB 4.42Å; L148-L445 HydrophobicContact CD2-CD2 4.38Å; L148-L445 HydrophobicContact CG-CD1 4.48Å; P336-L445 HydrophobicContact CB-CD2 4.16Å; P336-L445 HydrophobicContact CG-CD2 4.36Å; P336-L445 WeakPolarHBondContact O-CD2 3.41Å; P338-L445 HydrophobicContact CG-CD1 4.37Å; T441-L445 HydrophobicContact CG2-CD1 3.82Å; T441-L445 HydrophobicContact CG2-CG 4.3Å; T441-L445 WeakPolarHBondContact O-CG 3.38Å; T441-L445 PolarHBondContact O-N 3.37Å; E442-L445 PolarHBondContact O-N 3.04Å; L445-G449 PolarHBondContact O-N 3.1Å
446L98.6Very high97.2Very high0 Ų021.7 Ų21.70%010%0.098CC..Hα-helixtrans-67.5-46.1178.1-65.8173.7000111I147 L151 A174 P175 I178 L305 E442 F444 L450I147-L446 HydrophobicContact CG2-CD2 4.23Å; I147-L446 HydrophobicContact CG2-CG 4.11Å; L151-L446 HydrophobicContact CB-CD2 4.03Å; L151-L446 HydrophobicContact CD1-CD2 4.35Å; A174-L446 HydrophobicContact CB-CD1 4.3Å; A174-L446 HydrophobicContact CB-CD2 4.04Å; P175-L446 HydrophobicContact CB-CD1 4.37Å; I178-L446 HydrophobicContact CD1-CD1 4.07Å; L305-L446 HydrophobicContact CD1-CB 4.12Å; L305-L446 HydrophobicContact CD2-CB 3.97Å; L305-L446 HydrophobicContact CD2-CD1 3.83Å; L305-L446 HydrophobicContact CD2-CG 4.49Å; E442-L446 VanDerWaalsContact O-CB 3.23Å; E442-L446 WeakPolarHBondContact O-CB 3.43Å; E442-L446 WeakPolarHBondContact O-CG 3.43Å; E442-L446 PolarHBondContact O-N 2.87Å; F444-L446 PolarHBondContact O-N 3.48Å; L446-L450 VanDerWaalsContact O-CB 3.31Å; L446-L450 WeakPolarHBondContact O-CB 3.48Å; L446-L450 WeakPolarHBondContact O-CD1 3.44Å; L446-L450 WeakPolarHBondContact O-CG 3.02Å; L446-L450 PolarHBondContact O-N 3.02Å
447F98.7Very high97.3Very high4 Ų423.1 Ų23.12%0.01811%0.106CC..Hα-helixtrans-65.2-51.8179.9177.7-104.2000112.4L305 A308 M312 V322 T347 V350 L351 L443 F444 G449 L450 L451L305-F447 HydrophobicContact CD1-CB 4.5Å; A308-F447 HydrophobicContact CB-CD2 3.73Å; A308-F447 HydrophobicContact CB-CE2 3.9Å; M312-F447 HydrophobicContact CE-CZ 4.41Å; M312-F447 HydrophobicContact CG-CE2 3.65Å; M312-F447 HydrophobicContact CG-CZ 4.01Å; M312-F447 HydrophobicContact SD-CE2 4.07Å; M312-F447 HydrophobicContact SD-CZ 3.79Å; V322-F447 HydrophobicContact CG1-CE1 4.12Å; V322-F447 HydrophobicContact CG2-CE1 4.49Å; T347-F447 HydrophobicContact CG2-CD1 4.01Å; T347-F447 HydrophobicContact CG2-CE1 3.97Å; V350-F447 HydrophobicContact CG1-CE1 4.16Å; V350-F447 HydrophobicContact CG1-CZ 3.66Å; L351-F447 HydrophobicContact CD1-CB 4.21Å; L351-F447 HydrophobicContact CD1-CD1 3.8Å; L351-F447 HydrophobicContact CD1-CG 4.27Å; L351-F447 HydrophobicContact CD2-CB 3.78Å; L351-F447 HydrophobicContact CD2-CD1 3.75Å; L351-F447 HydrophobicContact CD2-CD2 4.04Å; L351-F447 HydrophobicContact CD2-CE1 4.27Å; L351-F447 HydrophobicContact CD2-CG 3.59Å; L351-F447 HydrophobicContact CG-CB 4.37Å; L351-F447 HydrophobicContact CG-CD1 3.62Å; L351-F447 HydrophobicContact CG-CE1 3.99Å; L351-F447 HydrophobicContact CG-CG 4.03Å; L443-F447 WeakPolarHBondContact O-CB 3.3Å; L443-F447 PolarHBondContact O-N 3.3Å; F444-F447 PolarHBondContact O-N 3.14Å; F447-G449 VanDerWaalsContact C-N 3.3Å; F447-G449 PolarHBondContact O-N 3.33Å; F447-L450 PolarHBondContact O-N 3.28Å; F447-L451 HydrophobicContact CD1-CD1 4.21Å; F447-L451 HydrophobicContact CD2-CD1 4.2Å; F447-L451 HydrophobicContact CE1-CD1 3.61Å; F447-L451 HydrophobicContact CE2-CD1 3.58Å; F447-L451 HydrophobicContact CE2-CG 4.27Å; F447-L451 HydrophobicContact CG-CD1 4.49Å; F447-L451 HydrophobicContact CZ-CD1 3.25Å; F447-L451 HydrophobicContact CZ-CG 4.35Å; F447-L451 PolarHBondContact O-N 3.01Å
448A98Very high97.5Very high0 Ų018 Ų180%09%0.09CC..Hα-helixtrans-60.7-43178.900000110.8L326 P336 F444 L451 Q452L326-A448 HydrophobicContact CD2-CB 3.98Å; P336-A448 HydrophobicContact CB-CB 3.93Å; P336-A448 HydrophobicContact CG-CB 4.07Å; F444-A448 WeakPolarHBondContact O-CB 3.36Å; F444-A448 PolarHBondContact O-N 2.81Å; A448-L451 PolarHBondContact O-N 2.84Å; A448-Q452 VanDerWaalsContact O-CB 3.25Å; A448-Q452 WeakPolarHBondContact O-CB 3.45Å; A448-Q452 PolarHBondContact O-N 3.04Å
449G97.4Very high97.5Very high5 Ų518.5 Ų18.55%0.0529%0.094CC..Hα-helixtrans-64.9-41.3178.500000113.7L445 F447 Q452 K453L445-G449 PolarHBondContact O-N 3.1Å; F447-G449 VanDerWaalsContact C-N 3.3Å; F447-G449 PolarHBondContact O-N 3.33Å; G449-Q452 PolarHBondContact O-N 2.85Å; G449-K453 PolarHBondContact O-N 2.86Å
450L98Very high97.5Very high4 Ų423.1 Ų23.12%0.02112%0.123CC..Hα-helixtrans-63.6-46.5174.9-74.4170.5000111.2L151 L154 L158 L171 L305 L446 F447 Q452 K453 Y454L151-L450 HydrophobicContact CD1-CD2 4.43Å; L151-L450 HydrophobicContact CD1-CG 4.22Å; L154-L450 HydrophobicContact CD2-CD1 4.37Å; L154-L450 HydrophobicContact CD2-CD2 4.19Å; L158-L450 HydrophobicContact CD1-CD2 3.48Å; L158-L450 VanDerWaalsContact CD1-CD2 3.48Å; L171-L450 HydrophobicContact CD2-CD1 4.14Å; L305-L450 HydrophobicContact CD1-CD1 4.17Å; L446-L450 VanDerWaalsContact O-CB 3.31Å; L446-L450 WeakPolarHBondContact O-CB 3.48Å; L446-L450 WeakPolarHBondContact O-CD1 3.44Å; L446-L450 WeakPolarHBondContact O-CG 3.02Å; L446-L450 PolarHBondContact O-N 3.02Å; F447-L450 PolarHBondContact O-N 3.28Å; L450-Q452 VanDerWaalsContact C-N 3.35Å; L450-K453 PolarHBondContact O-N 2.9Å; L450-Y454 HydrophobicContact CD2-CD2 4.24Å; L450-Y454 HydrophobicContact CD2-CE2 4.32Å; L450-Y454 WeakPolarHBondContact O-CD2 3.21Å; L450-Y454 PolarHBondContact O-N 3.48Å
451L98Very high97.3Very high0 Ų025.3 Ų25.30%016%0.161CC..Hα-helixtrans-73.7-25.8-179.8-67.1-173000113.2M312 Q319 V322 Q323 L326 F447 A448 K453 L456 R489M312-L451 HydrophobicContact CB-CD2 4.37Å; M312-L451 HydrophobicContact CG-CD1 4Å; M312-L451 HydrophobicContact CG-CD2 4.14Å; M312-L451 HydrophobicContact SD-CD1 4Å; Q319-L451 HydrophobicContact CG-CD2 3.95Å; V322-L451 HydrophobicContact CB-CD1 3.99Å; V322-L451 HydrophobicContact CG1-CB 4.34Å; V322-L451 HydrophobicContact CG1-CD1 3.46Å; V322-L451 VanDerWaalsContact CG1-CD1 3.46Å; V322-L451 HydrophobicContact CG2-CD1 4.49Å; Q323-L451 HydrophobicContact CG-CB 4.39Å; Q323-L451 WeakPolarHBondContact CG-O 3.27Å; L326-L451 HydrophobicContact CD1-CB 3.97Å; F447-L451 HydrophobicContact CD1-CD1 4.21Å; F447-L451 HydrophobicContact CD2-CD1 4.2Å; F447-L451 HydrophobicContact CE1-CD1 3.61Å; F447-L451 HydrophobicContact CE2-CD1 3.58Å; F447-L451 HydrophobicContact CE2-CG 4.27Å; F447-L451 HydrophobicContact CG-CD1 4.49Å; F447-L451 HydrophobicContact CZ-CD1 3.25Å; F447-L451 HydrophobicContact CZ-CG 4.35Å; F447-L451 PolarHBondContact O-N 3.01Å; A448-L451 PolarHBondContact O-N 2.84Å; L451-K453 VanDerWaalsContact C-N 3.25Å; L451-K453 PolarHBondContact O-N 2.82Å; L451-L456 HydrophobicContact CD2-CD1 3.98Å; L451-L456 HydrophobicContact CD2-CG 4.28Å; L451-R489 WeakPolarHBondContact O-CD 3.44Å; L451-R489 PolarHBondContact O-NH1 3.11Å
452Q96.2Very high97.3Very high29 Ų2927.3 Ų27.314%0.13617%0.172CC..Hα-helixtrans-63-35.4170.3-168.2179.441.700111.1G331 R334 A448 G449 L450 R489G331-Q452 PolarHBondContact O-NE2 2.66Å; R334-Q452 PolarHBondContact O-NE2 2.9Å; R334-Q452 PolarHBondContact O-OE1 3.45Å; A448-Q452 VanDerWaalsContact O-CB 3.25Å; A448-Q452 WeakPolarHBondContact O-CB 3.45Å; A448-Q452 PolarHBondContact O-N 3.04Å; G449-Q452 PolarHBondContact O-N 2.85Å; L450-Q452 VanDerWaalsContact C-N 3.35Å; Q452-R489 PolarHBondContact O-NH1 3.07Å
453K96.3Very high97.3Very high73 Ų7330.1 Ų30.132%0.31719%0.192SC..Hα-helixtrans-99.8-28.3-174.2-171.8172.3176.8-162.90115.1D159 G449 L450 L451 P488 R489D159-K453 VanDerWaalsContact CG-NZ 3.31Å; D159-K453 IonicContact OD1-NZ 3.6Å; D159-K453 PolarHBondContact OD1-NZ 3.27Å; D159-K453 IonicContact OD2-NZ 2.72Å; D159-K453 PolarHBondContact OD2-NZ 2.97Å; G449-K453 PolarHBondContact O-N 2.86Å; L450-K453 PolarHBondContact O-N 2.9Å; L451-K453 VanDerWaalsContact C-N 3.25Å; L451-K453 PolarHBondContact O-N 2.82Å; K453-P488 CarbonylContact O-C 3.37Å; K453-P488 WeakPolarHBondContact O-CA 3.38Å; K453-R489 PolarHBondContact O-N 3.11Å
454Y97.9Very high97.1Very high1 Ų132.2 Ų32.20%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-130.8146.4-169.9-55.1-76.6000113.4S155 L158 D159 Q323 L450 A486 V487 P488S155-Y454 WeakPolarHBondContact CA-OH 3.29Å; S155-Y454 WeakPolarHBondContact CB-OH 3.21Å; S155-Y454 PolarHBondContact O-OH 3.12Å; L158-Y454 HydrophobicContact CB-CE1 4.49Å; L158-Y454 HydrophobicContact CB-CE2 4.39Å; L158-Y454 HydrophobicContact CD1-CD2 4.31Å; L158-Y454 HydrophobicContact CD1-CE2 3.95Å; D159-Y454 VanDerWaalsContact CG-OH 3.27Å; D159-Y454 VanDerWaalsContact OD1-CE1 3.3Å; D159-Y454 WeakPolarHBondContact OD1-CE1 3.3Å; D159-Y454 PolarHBondContact OD1-OH 3.25Å; Q323-Y454 PolarHBondContact NE2-O 3.45Å; L450-Y454 HydrophobicContact CD2-CD2 4.24Å; L450-Y454 HydrophobicContact CD2-CE2 4.32Å; L450-Y454 WeakPolarHBondContact O-CD2 3.21Å; L450-Y454 PolarHBondContact O-N 3.48Å; Y454-A486 HydrophobicContact CD1-CB 3.94Å; Y454-A486 HydrophobicContact CE1-CB 4.48Å; Y454-A486 HydrophobicContact CG-CB 4.05Å; Y454-V487 CarbonylContact C-O 3.56Å; Y454-V487 VanDerWaalsContact CA-O 3.29Å; Y454-V487 WeakPolarHBondContact CA-O 3.31Å; Y454-P488 HydrophobicContact CD1-CG 4.4Å; Y454-P488 HydrophobicContact CE1-CG 4.29Å
455H98.1Very high97Very high67 Ų6735.6 Ų35.631%0.3123%0.234SC..EExtended strand (participates in β ladder)trans-85.2119.5152.1-68.3-69.1000108.9Q323 L457 V487Q323-H455 PolarHBondContact NE2-ND1 3.19Å; Q323-H455 PolarHBondContact OE1-CE1 3.49Å; Q323-H455 PolarHBondContact OE1-ND1 3.21Å; H455-L457 HydrophobicContact CB-CD2 4.49Å; H455-L457 HydrophobicContact CB-CG 4.38Å; H455-V487 HydrophobicContact CB-CB 4.5Å; H455-V487 PolarHBondContact N-O 3.29Å; H455-V487 PolarHBondContact O-N 3.43Å
456L98.3Very high96.8Very high4 Ų438.9 Ų38.92%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-88.7117.7173.5-60.1179.9000108.9A309 M312 G313 Q319 L451 C485 A486A309-L456 HydrophobicContact CB-CD1 3.75Å; M312-L456 HydrophobicContact CB-CD1 4.36Å; G313-L456 WeakPolarHBondContact CA-O 3.44Å; Q319-L456 PolarHBondContact NE2-O 3.09Å; L451-L456 HydrophobicContact CD2-CD1 3.98Å; L451-L456 HydrophobicContact CD2-CG 4.28Å; L456-C485 WeakPolarHBondContact CA-O 3.28Å; L456-A486 HydrophobicContact CD2-CB 4.12Å
457L97.9Very high96.7Very high71 Ų7139.1 Ų39.137%0.37226%0.258SS..EExtended strand (participates in β ladder)trans-125.7152.7-173.2-58.9176.6000111H455 L484 C485 V487H455-L457 HydrophobicContact CB-CD2 4.49Å; H455-L457 HydrophobicContact CB-CG 4.38Å; L457-L484 CarbonylContact O-C 3.49Å; L457-L484 WeakPolarHBondContact O-CA 3.49Å; L457-C485 HydrophobicContact CB-CB 4.3Å; L457-C485 PolarHBondContact N-O 2.99Å; L457-C485 PolarHBondContact O-N 3.41Å; L457-V487 HydrophobicContact CD1-CB 4.49Å; L457-V487 HydrophobicContact CD1-CG2 3.87Å
458P97.8Very high96.5Very high20 Ų2041.3 Ų41.313%0.1327%0.27CS..PPolyproline II helixtrans-58.5155.2164.6-1829.5000111.5V462 P464 L467P458-V462 HydrophobicContact CB-CB 3.98Å; P458-V462 HydrophobicContact CB-CG1 4.05Å; P458-V462 WeakPolarHBondContact CB-O 3.47Å; P458-P464 HydrophobicContact CG-CB 4.29Å; P458-P464 HydrophobicContact CG-CG 4.01Å; P458-L467 HydrophobicContact CB-CD1 4.39Å; P458-L467 HydrophobicContact CB-CD2 4.25Å; P458-L467 HydrophobicContact CB-CG 4.36Å; P458-L467 HydrophobicContact CG-CD1 3.95Å; P458-L467 HydrophobicContact CG-CG 4.3Å
459P96.9Very high96.4Very high25 Ų2543.5 Ų43.516%0.16228%0.284CS..PPolyproline II helixtrans-57.4156.7171.4-24.835.2000112.7P165 G461 V462 A483P165-P459 HydrophobicContact CB-CB 4.42Å; P165-P459 HydrophobicContact CB-CG 4.46Å; P165-P459 HydrophobicContact CG-CB 4.03Å; P459-G461 PolarHBondContact O-N 3.04Å; P459-V462 HydrophobicContact CB-CG2 4.15Å; P459-V462 HydrophobicContact CG-CG2 4.49Å; P459-V462 WeakPolarHBondContact O-CB 3.42Å; P459-V462 PolarHBondContact O-N 3.49Å; P459-A483 WeakPolarHBondContact CD-O 3.26Å; P459-A483 HydrophobicContact CG-CB 4.17Å; P459-A483 WeakPolarHBondContact CG-O 3.48Å
460P95.1Very high96.1Very high108 Ų10846.2 Ų46.270%0.70130%0.299SS*.THydrogen-bonded Turntrans-52.3131176.7-26.434.6000112.4V462P460-V462 VanDerWaalsContact C-N 3.31Å
461G93.6Very high95.9Very high94 Ų9448.4 Ų48.497%0.96931%0.314SS*.THydrogen-bonded Turntrans83.3-2-17800000115.3P459P459-G461 PolarHBondContact O-N 3.04Å
462V95.3Very high95.6Very high61 Ų6149.4 Ų49.437%0.3732%0.322SS..  trans-102.4129175.1-176.30000109.2P458 P459 P460 S466 L467P458-V462 HydrophobicContact CB-CB 3.98Å; P458-V462 HydrophobicContact CB-CG1 4.05Å; P458-V462 WeakPolarHBondContact CB-O 3.47Å; P459-V462 HydrophobicContact CB-CG2 4.15Å; P459-V462 HydrophobicContact CG-CG2 4.49Å; P459-V462 WeakPolarHBondContact O-CB 3.42Å; P459-V462 PolarHBondContact O-N 3.49Å; P460-V462 VanDerWaalsContact C-N 3.31Å; V462-S466 VanDerWaalsContact CG1-OG 3.25Å; V462-S466 WeakPolarHBondContact CG1-OG 3.37Å; V462-L467 HydrophobicContact CG1-CD2 4.38Å
463S96.1Very high95.1Very high59 Ų5955.3 Ų55.341%0.41334%0.343SS..  trans-78.7151.9173.573.90000111.2A465 S466S463-A465 PolarHBondContact O-N 3.42Å; S463-S466 WeakPolarHBondContact CA-OG 3.42Å; S463-S466 PolarHBondContact N-OG 3.35Å; S463-S466 PolarHBondContact O-N 3.05Å; S463-S466 PolarHBondContact O-OG 3.28Å; S463-S466 WeakPolarHBondContact OG-CB 3.31Å; S463-S466 PolarHBondContact OG-N 3.41Å; S463-S466 PolarHBondContact OG-OG 3.48Å
464P95.8Very high94.9Very high51 Ų5152.5 Ų52.533%0.33133%0.334SS..G310 helixtrans-52.3-42.6173.7-28.835.8000113.1R314 P458 S466 L467R314-P464 WeakPolarHBondContact CG-O 3.45Å; R314-P464 WeakPolarHBondContact O-CB 3.18Å; P458-P464 HydrophobicContact CG-CB 4.29Å; P458-P464 HydrophobicContact CG-CG 4.01Å; P464-S466 PolarHBondContact O-N 3.12Å; P464-L467 WeakPolarHBondContact O-CB 3.29Å; P464-L467 PolarHBondContact O-N 3.19Å
465A94.6Very high94.7Very high72 Ų7255.1 Ų55.160%0.59535%0.345SS*.G310 helixtrans-67-18.1179.600000114.4R314 S463R314-A465 VanDerWaalsContact NH1-C 3.3Å; R314-A465 PolarHBondContact NH1-O 2.78Å; R314-A465 PolarHBondContact NH2-O 3.24Å; S463-A465 PolarHBondContact O-N 3.42Å
466S95.1Very high94.6Very high68 Ų6852 Ų5248%0.47633%0.331SS..G310 helixtrans-88.4-5.5177.449.90000114.8V462 S463 P464 D468V462-S466 VanDerWaalsContact CG1-OG 3.25Å; V462-S466 WeakPolarHBondContact CG1-OG 3.37Å; S463-S466 WeakPolarHBondContact CA-OG 3.42Å; S463-S466 PolarHBondContact N-OG 3.35Å; S463-S466 PolarHBondContact O-N 3.05Å; S463-S466 PolarHBondContact O-OG 3.28Å; S463-S466 WeakPolarHBondContact OG-CB 3.31Å; S463-S466 PolarHBondContact OG-N 3.41Å; S463-S466 PolarHBondContact OG-OG 3.48Å; P464-S466 PolarHBondContact O-N 3.12Å; S466-D468 PolarHBondContact O-N 2.82Å
467L96.1Very high94.4Very high5 Ų553.3 Ų53.33%0.02634%0.337CS..SBendtrans-63.2124.6173.1-72.7175.6000110.8L310 G313 R314 P458 V462 P464 T469 L484L310-L467 HydrophobicContact CD1-CB 3.94Å; L310-L467 HydrophobicContact CD1-CD1 4.12Å; L310-L467 HydrophobicContact CD1-CD2 4.14Å; L310-L467 HydrophobicContact CD1-CG 4.29Å; G313-L467 VanDerWaalsContact C-CD1 3.45Å; R314-L467 HydrophobicContact CB-CB 4.48Å; R314-L467 HydrophobicContact CB-CD1 4.13Å; R314-L467 PolarHBondContact NH1-O 3.07Å; P458-L467 HydrophobicContact CB-CD1 4.39Å; P458-L467 HydrophobicContact CB-CD2 4.25Å; P458-L467 HydrophobicContact CB-CG 4.36Å; P458-L467 HydrophobicContact CG-CD1 3.95Å; P458-L467 HydrophobicContact CG-CG 4.3Å; V462-L467 HydrophobicContact CG1-CD2 4.38Å; P464-L467 WeakPolarHBondContact O-CB 3.29Å; P464-L467 PolarHBondContact O-N 3.19Å; L467-T469 PolarHBondContact O-N 3.4Å; L467-L484 HydrophobicContact CD1-CD2 3.98Å; L467-L484 HydrophobicContact CD2-CD2 4.01Å
468D95Very high94.2Very high51 Ų5152.1 Ų52.127%0.27333%0.328SS..  trans-72.7115.9-172.5-171-8.2000110.2L310 S466 T470 R480 Q482L310-D468 WeakPolarHBondContact CD2-O 3.33Å; S466-D468 PolarHBondContact O-N 2.82Å; D468-T470 VanDerWaalsContact CG-OG1 3.28Å; D468-T470 WeakPolarHBondContact OD1-CA 3.43Å; D468-T470 VanDerWaalsContact OD1-CB 3.25Å; D468-T470 WeakPolarHBondContact OD1-CB 3.31Å; D468-T470 WeakPolarHBondContact OD1-CG2 3.34Å; D468-T470 PolarHBondContact OD1-N 3.26Å; D468-T470 PolarHBondContact OD1-OG1 3Å; D468-T470 PolarHBondContact OD2-OG1 3.38Å; D468-R480 WeakPolarHBondContact OD2-CD 3.32Å; D468-R480 IonicContact OD2-CZ 2.74Å; D468-R480 IonicContact OD2-NE 3.72Å; D468-R480 IonicContact OD2-NH1 3.74Å; D468-R480 PolarHBondContact OD2-NH1 2.92Å; D468-Q482 VanDerWaalsContact N-OE1 3.1Å; D468-Q482 PolarHBondContact O-NE2 3.42Å
469T94.3Very high94.1Very high45 Ų4551.3 Ų51.328%0.27632%0.322SS..  trans-101.612.9177.449.40000112.6W307 L311 R314 L467W307-T469 VanDerWaalsContact CH2-O 3.29Å; W307-T469 WeakPolarHBondContact CH2-O 3.1Å; W307-T469 HydrophobicContact CZ3-CG2 4.38Å; L311-T469 HydrophobicContact CD2-CG2 4.44Å; R314-T469 VanDerWaalsContact CD-CG2 3.42Å; L467-T469 PolarHBondContact O-N 3.4Å
470T92.8Very high94.1Very high63 Ų6356 Ų5639%0.38734%0.337SS..SBendtrans-80.3136.1171.768.30000110.6D468 R480D468-T470 VanDerWaalsContact CG-OG1 3.28Å; D468-T470 WeakPolarHBondContact OD1-CA 3.43Å; D468-T470 VanDerWaalsContact OD1-CB 3.25Å; D468-T470 WeakPolarHBondContact OD1-CB 3.31Å; D468-T470 WeakPolarHBondContact OD1-CG2 3.34Å; D468-T470 PolarHBondContact OD1-N 3.26Å; D468-T470 PolarHBondContact OD1-OG1 3Å; D468-T470 PolarHBondContact OD2-OG1 3.38Å; T470-R480 WeakPolarHBondContact OG1-CD 3.36Å; T470-R480 PolarHBondContact OG1-NE 3.07Å
471P92.6Very high94.1Very high49 Ų4956.1 Ų56.132%0.31835%0.347SS..BIsolated β-bridgetrans-69.3144.5177.826.8-32.5000111W307 M477 R478W307-P471 HydrophobicContact CZ2-CB 4.38Å; P471-M477 HydrophobicContact CB-CB 3.98Å; P471-M477 HydrophobicContact CB-CE 3.91Å; P471-M477 HydrophobicContact CB-SD 4.15Å; P471-M477 HydrophobicContact CG-CE 3.4Å; P471-M477 VanDerWaalsContact CG-CE 3.4Å; P471-M477 HydrophobicContact CG-SD 4.24Å; P471-R478 CarbonylContact C-O 3.58Å; P471-R478 WeakPolarHBondContact CA-O 3.5Å
472A92.3Very high94.2Very high21 Ų2153.6 Ų53.617%0.17431%0.31CS..PPolyproline II helixtrans-74.5155.9170.200000110.7A474 R478 R480A472-A474 PolarHBondContact O-N 3.49Å; A472-A474 VanDerWaalsContact O-N 3.12Å; A472-R478 HydrophobicContact CB-CG 4.01Å; A472-R478 PolarHBondContact N-O 2.74Å; A472-R480 HydrophobicContact CB-CG 3.96Å
473R86.3Confident94.3Very high153 Ų15352.1 Ų52.158%0.57730%0.304SS*.SBendtrans-75.9102.1174.1-171.6-17871-171.5-0.6110
474A92.2Very high94.4Very high15 Ų1549.3 Ų49.312%0.12428%0.284CS..SBendtrans-149.9-176.2172.100000109.6A472 T476 R478A472-A474 PolarHBondContact O-N 3.49Å; A472-A474 VanDerWaalsContact O-N 3.12Å; A474-T476 PolarHBondContact O-N 2.8Å; A474-R478 HydrophobicContact CB-CG 4.2Å
475F92.9Very high94.5Very high56 Ų5647.2 Ų47.225%0.24627%0.271CS..SBendtrans-63.1-33.5172.8-176.1-106.7000112.5F105 F115 M206 L209 L361F105-F475 HydrophobicContact CE2-CE2 4.38Å; F105-F475 AromaticContact CZ-CE2 3.83Å; F105-F475 HydrophobicContact CZ-CE2 3.83Å; F105-F475 HydrophobicContact CZ-CZ 4.13Å; F115-F475 HydrophobicContact CE1-CE1 4.3Å; F115-F475 HydrophobicContact CE1-CZ 4.08Å; F115-F475 HydrophobicContact CZ-CE1 4.35Å; F115-F475 HydrophobicContact CZ-CZ 4.31Å; M206-F475 PolarHBondContact O-N 3.34Å; M206-F475 HydrophobicContact SD-CB 4.05Å; M206-F475 HydrophobicContact SD-CD1 4.17Å; M206-F475 HydrophobicContact SD-CG 4.44Å; L209-F475 HydrophobicContact CB-CB 3.79Å; L209-F475 HydrophobicContact CB-CD2 3.97Å; L209-F475 HydrophobicContact CB-CG 4.13Å; L209-F475 HydrophobicContact CD1-CG 4.39Å; L361-F475 HydrophobicContact CD2-CD1 4.26Å; L361-F475 HydrophobicContact CD2-CE1 3.97Å
476T94.9Very high94.7Very high1 Ų143.9 Ų43.91%0.00624%0.243CC..SBendtrans-105.2158.1173.172.40000110.5E299 T300 L361 A474 R478E299-T476 HydrophobicContact CG-CG2 3.74Å; E299-T476 PolarHBondContact OE1-OG1 3.32Å; T300-T476 HydrophobicContact CG2-CG2 4.48Å; L361-T476 HydrophobicContact CD2-CG2 4.07Å; L361-T476 HydrophobicContact CG-CG2 4.48Å; A474-T476 PolarHBondContact O-N 2.8Å; T476-R478 PolarHBondContact O-N 3.01Å
477M94.3Very high94.8Very high31 Ų3143.2 Ų43.215%0.15324%0.236CC..  trans-78.854.1174.4-58.8-64-88.600110.8W307 L360 P362 P471W307-M477 PolarHBondContact NE1-O 3.38Å; L360-M477 PolarHBondContact O-N 2.79Å; P362-M477 HydrophobicContact CG-CG 3.7Å; P362-M477 HydrophobicContact CG-SD 4.2Å; P471-M477 HydrophobicContact CB-CB 3.98Å; P471-M477 HydrophobicContact CB-CE 3.91Å; P471-M477 HydrophobicContact CB-SD 4.15Å; P471-M477 HydrophobicContact CG-CE 3.4Å; P471-M477 VanDerWaalsContact CG-CE 3.4Å; P471-M477 HydrophobicContact CG-SD 4.24Å
478R94.5Very high94.8Very high46 Ų4646.5 Ų46.517%0.17426%0.258CS..PPolyproline II helixtrans-70.9158.5-179.174-174.1-143171.34.6112.1D203 E299 A303 P471 A472 A474 T476D203-R478 IonicContact OD1-CZ 3.23Å; D203-R478 IonicContact OD1-NH1 2.77Å; D203-R478 PolarHBondContact OD1-NH1 2.81Å; D203-R478 IonicContact OD1-NH2 3.89Å; D203-R478 PolarHBondContact OD1-NH2 3.22Å; D203-R478 IonicContact OD2-NH2 3.77Å; E299-R478 VanDerWaalsContact OE1-CD 3.22Å; E299-R478 WeakPolarHBondContact OE1-CD 3.29Å; E299-R478 IonicContact OE1-NH1 3.09Å; E299-R478 IonicContact OE2-NH1 3.03Å; A303-R478 HydrophobicContact CB-CB 3.79Å; P471-R478 CarbonylContact C-O 3.58Å; P471-R478 WeakPolarHBondContact CA-O 3.5Å; A472-R478 HydrophobicContact CB-CG 4.01Å; A472-R478 PolarHBondContact N-O 2.74Å; A474-R478 HydrophobicContact CB-CG 4.2Å; T476-R478 PolarHBondContact O-N 3.01Å
479P96.6Very high94.8Very high3 Ų345.9 Ų45.92%0.01925%0.251CS..BIsolated β-bridgetrans-69.9157.7177.328.5-29.5000111.1Q306 W307 L310Q306-P479 HydrophobicContact CB-CG 3.62Å; W307-P479 HydrophobicContact CD2-CB 3.96Å; W307-P479 HydrophobicContact CD2-CG 4.26Å; W307-P479 HydrophobicContact CE3-CB 4.21Å; W307-P479 HydrophobicContact CG-CG 4.35Å; W307-P479 HydrophobicContact CH2-CB 4.04Å; W307-P479 VanDerWaalsContact CZ2-CA 3.47Å; W307-P479 HydrophobicContact CZ2-CB 3.84Å; W307-P479 HydrophobicContact CZ3-CB 4.24Å; L310-P479 HydrophobicContact CD2-CB 4.06Å
480R95.7Very high93.9Very high125 Ų12550.3 Ų50.347%0.47228%0.281SS..PPolyproline II helixtrans-65.7159.3170-76.3172.8168.2-152.2-0.7111.4D468 T470 A472 Q482D468-R480 WeakPolarHBondContact OD2-CD 3.32Å; D468-R480 IonicContact OD2-CZ 2.74Å; D468-R480 IonicContact OD2-NE 3.72Å; D468-R480 IonicContact OD2-NH1 3.74Å; D468-R480 PolarHBondContact OD2-NH1 2.92Å; T470-R480 WeakPolarHBondContact OG1-CD 3.36Å; T470-R480 PolarHBondContact OG1-NE 3.07Å; A472-R480 HydrophobicContact CB-CG 3.96Å; R480-Q482 WeakPolarHBondContact O-CG 3.43Å; R480-Q482 PolarHBondContact O-N 3.23Å
481A95.1Very high94Very high110 Ų11049.7 Ų49.791%0.90928%0.276SS*.SBendtrans-66.4117.1173.300000109.5
482Q95.9Very high94.1Very high41 Ų4149.7 Ų49.719%0.19227%0.273CS..  trans-156.9174.5176.639.7-179.22.300108.5L168 D468 R480L168-Q482 HydrophobicContact CD1-CG 3.68Å; L168-Q482 PolarHBondContact N-O 3.13Å; D468-Q482 VanDerWaalsContact N-OE1 3.1Å; D468-Q482 PolarHBondContact O-NE2 3.42Å; R480-Q482 WeakPolarHBondContact O-CG 3.43Å; R480-Q482 PolarHBondContact O-N 3.23Å
483A97.4Very high94.2Very high29 Ų2951.3 Ų51.324%0.2428%0.279CS..EExtended strand (participates in β ladder)trans-119.3156-176.500000111.7P165 F166 P459P165-A483 HydrophobicContact CB-CB 3.99Å; F166-A483 WeakPolarHBondContact O-CA 3.43Å; F166-A483 VanDerWaalsContact O-CB 3.26Å; F166-A483 WeakPolarHBondContact O-CB 3.28Å; P459-A483 WeakPolarHBondContact CD-O 3.26Å; P459-A483 HydrophobicContact CG-CB 4.17Å; P459-A483 WeakPolarHBondContact CG-O 3.48Å
484L98.4Very high94.6Very high0 Ų045.3 Ų45.30%026%0.261CS..EExtended strand (participates in β ladder)trans-130.3164.8167.8-68.6-179.6000109.3P165 F166 L168 A309 L457 L467P165-L484 CarbonylContact C-O 3.51Å; P165-L484 VanDerWaalsContact CA-O 3.31Å; P165-L484 WeakPolarHBondContact CA-O 3.36Å; F166-L484 WeakPolarHBondContact CD1-O 3.11Å; F166-L484 HydrophobicContact CE1-CB 3.91Å; F166-L484 WeakPolarHBondContact CE1-O 3.32Å; F166-L484 HydrophobicContact CZ-CB 3.95Å; F166-L484 PolarHBondContact N-O 2.79Å; F166-L484 PolarHBondContact O-N 3.24Å; F166-L484 VanDerWaalsContact O-N 3.07Å; L168-L484 HydrophobicContact CD2-CB 4.48Å; L168-L484 HydrophobicContact CD2-CD1 3.52Å; L168-L484 HydrophobicContact CD2-CG 3.76Å; L168-L484 HydrophobicContact CG-CG 4.44Å; A309-L484 HydrophobicContact CB-CD1 4.11Å; A309-L484 WeakPolarHBondContact O-CD1 3.47Å; L457-L484 CarbonylContact O-C 3.49Å; L457-L484 WeakPolarHBondContact O-CA 3.49Å; L467-L484 HydrophobicContact CD1-CD2 3.98Å; L467-L484 HydrophobicContact CD2-CD2 4.01Å
485C98.5Very high94.8Very high7 Ų747.2 Ų47.25%0.04727%0.27CS..EExtended strand (participates in β ladder)trans-102.2135.4167.2-72.50000109.1G163 L456 L457G163-C485 WeakPolarHBondContact O-CB 3.49Å; G163-C485 PolarHBondContact O-SG 3.4Å; L456-C485 WeakPolarHBondContact CA-O 3.28Å; L457-C485 HydrophobicContact CB-CB 4.3Å; L457-C485 PolarHBondContact N-O 2.99Å; L457-C485 PolarHBondContact O-N 3.41Å
486A98.3Very high94.9Very high2 Ų246.6 Ų46.62%0.01727%0.272CS..EExtended strand (participates in β ladder)trans-107.4102.5169.900000108.6L158 G163 F166 Y454 L456L158-A486 HydrophobicContact CB-CB 4.33Å; L158-A486 HydrophobicContact CD1-CB 4.47Å; L158-A486 HydrophobicContact CD2-CB 4.36Å; G163-A486 WeakPolarHBondContact CA-O 3.27Å; F166-A486 HydrophobicContact CD1-CB 4.12Å; F166-A486 HydrophobicContact CE1-CB 3.65Å; Y454-A486 HydrophobicContact CD1-CB 3.94Å; Y454-A486 HydrophobicContact CE1-CB 4.48Å; Y454-A486 HydrophobicContact CG-CB 4.05Å; L456-A486 HydrophobicContact CD2-CB 4.12Å
487V97.8Very high94.9Very high55 Ų5549.9 Ų49.933%0.33329%0.291SS..EExtended strand (participates in β ladder)trans-98122.1-179.7-179.10000108.8Y454 H455 L457Y454-V487 CarbonylContact C-O 3.56Å; Y454-V487 VanDerWaalsContact CA-O 3.29Å; Y454-V487 WeakPolarHBondContact CA-O 3.31Å; H455-V487 HydrophobicContact CB-CB 4.5Å; H455-V487 PolarHBondContact N-O 3.29Å; H455-V487 PolarHBondContact O-N 3.43Å; L457-V487 HydrophobicContact CD1-CB 4.49Å; L457-V487 HydrophobicContact CD1-CG2 3.87Å
488P96.2Very high95Very high73 Ų7351.3 Ų51.347%0.47430%0.301SS..EExtended strand (participates in β ladder)trans-55.8140179-26.234.7000112.6K453 Y454K453-P488 CarbonylContact O-C 3.37Å; K453-P488 WeakPolarHBondContact O-CA 3.38Å; Y454-P488 HydrophobicContact CD1-CG 4.4Å; Y454-P488 HydrophobicContact CE1-CG 4.29Å
489R93.9Very high95Very high38 Ų3851.8 Ų51.814%0.14331%0.312CS..PPolyproline II helixtrans-81.7146.2173.3-65.5176.367.4-143.8-14.9110.1D327 L451 Q452 K453D327-R489 IonicContact OD1-CZ 2.64Å; D327-R489 IonicContact OD1-NH1 3.12Å; D327-R489 PolarHBondContact OD1-NH1 3.1Å; D327-R489 IonicContact OD1-NH2 3.92Å; D327-R489 PolarHBondContact OD1-NH2 3.39Å; D327-R489 IonicContact OD2-NH2 3.43Å; D327-R489 PolarHBondContact OD2-NH2 3.46Å; L451-R489 WeakPolarHBondContact O-CD 3.44Å; L451-R489 PolarHBondContact O-NH1 3.11Å; Q452-R489 PolarHBondContact O-NH1 3.07Å; K453-R489 PolarHBondContact O-N 3.11Å
490P76.6Confident94.9Very high138 Ų13856.2 Ų56.290%0.89634%0.338SS*.  trans-69.90176.829.9-35.2000113.2R332R332-P490 WeakPolarHBondContact CD-O 3.18Å; R332-P490 PolarHBondContact NE-O 3.26Å; R332-P490 PolarHBondContact NH1-O 2.67Å; R332-P490 PolarHBondContact NH1-OXT 2.9Å; R332-P490 VanDerWaalsContact NH1-OXT 3.12Å

Retrieved 490 of 490 residues in 193.3 ms (Link to these results)

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