A0A087Y923_POEFO Loading...

phosphopyruvate hydratase

AlphaFold DB , UniProt , Accession A0A087Y923, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 434 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
1M72Confident94.5Very high91 Ų9149.1 Ų49.145%0.44826%0.264SS..  0153.10-84.7177-112.700109.6A27 S83 V84 E125M1-A27 HydrophobicContact SD-CB 3.74Å; M1-S83 PolarHBondContact N-OG 3.08Å; M1-S83 WeakPolarHBondContact O-CA 3.34Å; M1-V84 PolarHBondContact O-N 3Å; M1-E125 VanDerWaalsContact CB-OE1 3.29Å; M1-E125 WeakPolarHBondContact CB-OE1 3.24Å; M1-E125 WeakPolarHBondContact CE-OE1 3.29Å; M1-E125 VanDerWaalsContact CE-OE2 3.29Å; M1-E125 WeakPolarHBondContact CE-OE2 3.41Å; M1-E125 WeakPolarHBondContact CG-OE1 3.18Å; M1-E125 VanDerWaalsContact N-CD 3.31Å; M1-E125 PolarHBondContact N-OE1 3.46Å
2S83.9Confident94.9Very high62 Ų6251.8 Ų51.843%0.43428%0.278SS..BIsolated β-bridgetrans-77.8156-18056.10000112.4
3I96.6Very high95.2Very high9 Ų948.5 Ų48.55%0.04626%0.26CS..  trans-68.3134.7174.9-58166.9000109.2I6 L24 L77 L78 V84 L90I3-I6 HydrophobicContact CD1-CD1 4.3Å; I3-I6 HydrophobicContact CG2-CD1 3.92Å; I3-I6 HydrophobicContact CG2-CG1 3.73Å; I3-L24 HydrophobicContact CD1-CD1 4.1Å; I3-L24 HydrophobicContact CG1-CD1 4.19Å; I3-L24 HydrophobicContact CG1-CD2 4.37Å; I3-L24 HydrophobicContact CG2-CD1 4.33Å; I3-L24 HydrophobicContact CG2-CD2 4.28Å; I3-L24 HydrophobicContact CG2-CG 4.02Å; I3-L77 HydrophobicContact CD1-CB 4.12Å; I3-L78 HydrophobicContact CB-CD1 4.39Å; I3-L78 HydrophobicContact CG2-CD1 3.58Å; I3-L78 HydrophobicContact CG2-CG 4.21Å; I3-V84 HydrophobicContact CD1-CG1 4.33Å; I3-V84 HydrophobicContact CG1-CG1 3.62Å; I3-L90 HydrophobicContact CD1-CD2 4.23Å
4V96.6Very high95.4Very high94 Ų9446.8 Ų46.857%0.5725%0.254SS*.  trans-98-39.4179177.70000111.4H25 L78V4-H25 PolarHBondContact N-O 2.76Å; V4-L78 WeakPolarHBondContact O-CD2 3.33Å
5N97.8Very high95.4Very high68 Ų6847.7 Ų47.736%0.36425%0.252SS..EExtended strand (participates in β ladder)trans-156.8148.4-179.5-168.325.2000110.9V7 H25N5-V7 VanDerWaalsContact ND2-CG2 3.34Å; N5-V7 WeakPolarHBondContact ND2-CG2 3.33Å; N5-H25 HydrophobicContact CB-CB 4.07Å; N5-H25 PolarHBondContact N-O 2.81Å; N5-H25 PolarHBondContact O-N 2.86Å
6I98.6Very high95.6Very high8 Ų847.1 Ų47.14%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-130.1128.9169.8-68.2170.7000107.3I3 V22 D23 L24 I69 L77 L78 V114I3-I6 HydrophobicContact CD1-CD1 4.3Å; I3-I6 HydrophobicContact CG2-CD1 3.92Å; I3-I6 HydrophobicContact CG2-CG1 3.73Å; I6-V22 HydrophobicContact CG2-CG1 3.81Å; I6-D23 CarbonylContact C-O 3.6Å; I6-D23 WeakPolarHBondContact CA-O 3.28Å; I6-L24 HydrophobicContact CD1-CD1 4.22Å; I6-L24 HydrophobicContact CG1-CB 4.44Å; I6-L24 HydrophobicContact CG1-CD1 4.19Å; I6-L24 HydrophobicContact CG1-CG 4.04Å; I6-I69 HydrophobicContact CG2-CG2 3.63Å; I6-L77 HydrophobicContact CD1-CB 4.2Å; I6-L77 HydrophobicContact CD1-CD1 3.96Å; I6-L78 HydrophobicContact CB-CD1 4.35Å; I6-L78 HydrophobicContact CD1-CD1 4.07Å; I6-L78 HydrophobicContact CG1-CD1 4.01Å; I6-V114 HydrophobicContact CD1-CG1 4.13Å; I6-V114 HydrophobicContact CG2-CG2 4.46Å
7V98.7Very high95.7Very high48 Ų4845.9 Ų45.929%0.29125%0.254SS..EExtended strand (participates in β ladder)trans-133.5120.6176.1-177.70000109N5 D23 N70N5-V7 VanDerWaalsContact ND2-CG2 3.34Å; N5-V7 WeakPolarHBondContact ND2-CG2 3.33Å; V7-D23 PolarHBondContact N-O 3.34Å; V7-D23 PolarHBondContact O-N 3.49Å; V7-N70 WeakPolarHBondContact CA-OD1 3.35Å
8A98.9Very high95.9Very high5 Ų543.4 Ų43.44%0.04124%0.24CC..EExtended strand (participates in β ladder)trans-97.6151.2169.900000111.9E21 V22 V66 I69 N70A8-E21 CarbonylContact C-O 3.58Å; A8-E21 WeakPolarHBondContact CA-O 3.44Å; A8-V22 HydrophobicContact CB-CG2 4.22Å; A8-V66 HydrophobicContact CB-CB 4.48Å; A8-V66 HydrophobicContact CB-CG1 4.09Å; A8-V66 WeakPolarHBondContact O-CG1 3.46Å; A8-I69 HydrophobicContact CB-CB 3.64Å; A8-I69 HydrophobicContact CB-CD1 3.57Å; A8-I69 HydrophobicContact CB-CG1 4.23Å; A8-I69 HydrophobicContact CB-CG2 3.66Å; A8-N70 PolarHBondContact N-OD1 3.02Å; A8-N70 PolarHBondContact O-ND2 2.89Å
9R98.9Very high96Very high77 Ų7741.1 Ų41.129%0.29123%0.227SC..EExtended strand (participates in β ladder)trans-144.9164.417366-171.867.581.92.9111.4I11 E21 D23R9-I11 HydrophobicContact CG-CG2 4.18Å; R9-E21 WeakPolarHBondContact CD-OE1 3.29Å; R9-E21 HydrophobicContact CG-CB 4.04Å; R9-E21 IonicContact CZ-OE1 2.66Å; R9-E21 PolarHBondContact N-O 3.13Å; R9-E21 IonicContact NE-OE1 3.16Å; R9-E21 IonicContact NH1-OE1 3.06Å; R9-E21 PolarHBondContact NH1-OE1 3.07Å; R9-E21 PolarHBondContact O-N 3.48Å; R9-D23 IonicContact CZ-OD1 3.83Å; R9-D23 IonicContact CZ-OD2 3.11Å; R9-D23 VanDerWaalsContact CZ-OD2 3.24Å; R9-D23 IonicContact NH1-OD1 3.49Å; R9-D23 PolarHBondContact NH1-OD1 3.4Å; R9-D23 IonicContact NH1-OD2 3.34Å; R9-D23 PolarHBondContact NH1-OD2 3.27Å; R9-D23 IonicContact NH2-OD2 2.83Å; R9-D23 PolarHBondContact NH2-OD2 3.28Å
10E98.8Very high96.2Very high47 Ų4739.1 Ų39.122%0.2222%0.216CC..EExtended strand (participates in β ladder)trans-90.3127171.9-174.9177.583.600109.6P18 T19 R56 Y57 V62E10-P18 HydrophobicContact CG-CB 3.71Å; E10-P18 WeakPolarHBondContact OE2-CB 3.37Å; E10-T19 WeakPolarHBondContact CA-O 3.44Å; E10-R56 IonicContact OE1-CZ 2.75Å; E10-R56 VanDerWaalsContact OE1-CZ 3.24Å; E10-R56 IonicContact OE1-NH1 3.66Å; E10-R56 PolarHBondContact OE1-NH1 3.09Å; E10-R56 IonicContact OE1-NH2 3.38Å; E10-R56 PolarHBondContact OE1-NH2 3.09Å; E10-R56 IonicContact OE2-CZ 2.84Å; E10-R56 IonicContact OE2-NH1 3.91Å; E10-R56 PolarHBondContact OE2-NH1 3.27Å; E10-R56 IonicContact OE2-NH2 3.5Å; E10-Y57 WeakPolarHBondContact OE1-CE2 3.49Å; E10-V62 HydrophobicContact CB-CG2 4.09Å; E10-V62 HydrophobicContact CG-CG2 3.61Å; E10-V62 PolarHBondContact OE2-N 3.18Å
11I98.8Very high96.3Very high31 Ų3137.9 Ų37.916%0.15921%0.209CC..EExtended strand (participates in β ladder)trans-121.2-177.8169.766.9164.6000109.5R9 P18 T19 E21 A34 T376R9-I11 HydrophobicContact CG-CG2 4.18Å; I11-P18 CarbonylContact O-C 3.52Å; I11-P18 VanDerWaalsContact O-CA 3.27Å; I11-P18 WeakPolarHBondContact O-CA 3.36Å; I11-T19 HydrophobicContact CD1-CG2 4.22Å; I11-T19 HydrophobicContact CG1-CG2 3.71Å; I11-T19 PolarHBondContact N-O 2.88Å; I11-T19 PolarHBondContact O-N 2.78Å; I11-E21 HydrophobicContact CD1-CB 3.99Å; I11-E21 HydrophobicContact CG1-CB 4.04Å; I11-E21 HydrophobicContact CG2-CB 3.8Å; I11-E21 HydrophobicContact CG2-CG 4.49Å; I11-A34 HydrophobicContact CD1-CB 3.76Å; I11-T376 HydrophobicContact CD1-CG2 4.41Å
12L98.8Very high97.6Very high82 Ų8233.6 Ų33.643%0.42919%0.188SC..EExtended strand (participates in β ladder)trans-108.5139.1174.9-60.4-177.1000111.3N17 P18 Y57L12-N17 CarbonylContact C-O 3.58Å; L12-N17 WeakPolarHBondContact CA-O 3.2Å; L12-P18 HydrophobicContact CD2-CG 4.36Å; L12-Y57 HydrophobicContact CD2-CE1 3.79Å
13D98.6Very high98.3Very high9 Ų930.9 Ų30.95%0.04817%0.169CC..  trans-75.8177.5168.678.81.9000111.7R15 G16 N17 T19 E375D13-R15 PolarHBondContact O-N 2.97Å; D13-R15 WeakPolarHBondContact OD1-CA 3.29Å; D13-R15 WeakPolarHBondContact OD1-CB 3.45Å; D13-R15 PolarHBondContact OD1-N 3.19Å; D13-R15 IonicContact OD2-NE 2.7Å; D13-R15 IonicContact OD2-NH2 3.68Å; D13-G16 PolarHBondContact O-N 2.71Å; D13-G16 PolarHBondContact OD1-N 3.33Å; D13-N17 PolarHBondContact N-O 3.02Å; D13-N17 PolarHBondContact OD1-N 2.99Å; D13-T19 HydrophobicContact CB-CG2 4.34Å; D13-E375 CarbonylContact C-O 3.6Å; D13-E375 WeakPolarHBondContact CA-O 3.47Å
14S98Very high98.4Very high24 Ų2430.5 Ų30.517%0.16817%0.166CC..THydrogen-bonded Turntrans-64.6-11.6-178.465.10000114.3S373 E375 R400 E402 R403S14-S373 PolarHBondContact OG-O 2.82Å; S14-E375 WeakPolarHBondContact CB-O 3.42Å; S14-E375 PolarHBondContact N-O 3.1Å; S14-E375 PolarHBondContact OG-N 2.72Å; S14-E375 VanDerWaalsContact OG-N 3.08Å; S14-E375 PolarHBondContact OG-O 3.27Å; S14-R400 PolarHBondContact O-NH2 3.19Å; S14-E402 VanDerWaalsContact CB-CD 3.49Å; S14-E402 VanDerWaalsContact CB-CG 3.48Å; S14-R403 PolarHBondContact OG-NH2 3.04Å
15R96.4Very high98.5Very high60 Ų6028.7 Ų28.723%0.22615%0.152CC..THydrogen-bonded Turntrans-103.12.9175.3-60178.2-61.6176.5-4.9112D13 N17 S37 G38 D209D13-R15 PolarHBondContact O-N 2.97Å; D13-R15 WeakPolarHBondContact OD1-CA 3.29Å; D13-R15 WeakPolarHBondContact OD1-CB 3.45Å; D13-R15 PolarHBondContact OD1-N 3.19Å; D13-R15 IonicContact OD2-NE 2.7Å; D13-R15 IonicContact OD2-NH2 3.68Å; R15-N17 VanDerWaalsContact C-N 3.33Å; R15-S37 PolarHBondContact NH2-O 2.75Å; R15-G38 PolarHBondContact NH1-O 3.46Å; R15-G38 PolarHBondContact NH2-O 3.21Å; R15-D209 WeakPolarHBondContact CD-OD2 3.49Å
16G97.6Very high98.5Very high39 Ų3926 Ų2640%0.40214%0.138SC..SBendtrans75.118.3-178.800000114D13D13-G16 PolarHBondContact O-N 2.71Å; D13-G16 PolarHBondContact OD1-N 3.33Å
17N98.3Very high98.5Very high27 Ų2729.5 Ų29.514%0.14417%0.168CC..  trans-91.9148.9171.9-55.8-69.8000110.2L12 D13 R15 K60L12-N17 CarbonylContact C-O 3.58Å; L12-N17 WeakPolarHBondContact CA-O 3.2Å; D13-N17 PolarHBondContact N-O 3.02Å; D13-N17 PolarHBondContact OD1-N 2.99Å; R15-N17 VanDerWaalsContact C-N 3.33Å; N17-K60 HydrophobicContact CB-CD 4.26Å; N17-K60 WeakPolarHBondContact OD1-CD 3.48Å; N17-K60 PolarHBondContact OD1-NZ 3.05Å
18P98.6Very high98.4Very high0 Ų032.8 Ų32.80%018%0.178CC..EExtended strand (participates in β ladder)trans-56.6145.6173.6-28.937.9000113.7E10 I11 L12 R50 Y57 K60 V62E10-P18 HydrophobicContact CG-CB 3.71Å; E10-P18 WeakPolarHBondContact OE2-CB 3.37Å; I11-P18 CarbonylContact O-C 3.52Å; I11-P18 VanDerWaalsContact O-CA 3.27Å; I11-P18 WeakPolarHBondContact O-CA 3.36Å; L12-P18 HydrophobicContact CD2-CG 4.36Å; P18-R50 PolarHBondContact O-NH1 2.85Å; P18-Y57 HydrophobicContact CG-CD1 3.57Å; P18-Y57 HydrophobicContact CG-CD2 3.39Å; P18-Y57 HydrophobicContact CG-CE1 4Å; P18-Y57 HydrophobicContact CG-CE2 3.83Å; P18-Y57 HydrophobicContact CG-CG 3.25Å; P18-K60 WeakPolarHBondContact CB-O 3.23Å; P18-V62 HydrophobicContact CB-CG1 4.5Å; P18-V62 HydrophobicContact CB-CG2 4.12Å
19T98.9Very high98.4Very high0 Ų034 Ų340%019%0.192CC..EExtended strand (participates in β ladder)trans-149.3169.9166.5-165.20000111.2E10 I11 D13 V35 T376E10-T19 WeakPolarHBondContact CA-O 3.44Å; I11-T19 HydrophobicContact CD1-CG2 4.22Å; I11-T19 HydrophobicContact CG1-CG2 3.71Å; I11-T19 PolarHBondContact N-O 2.88Å; I11-T19 PolarHBondContact O-N 2.78Å; D13-T19 HydrophobicContact CB-CG2 4.34Å; T19-V35 WeakPolarHBondContact CB-O 3.29Å; T19-V35 WeakPolarHBondContact CG2-O 3.16Å; T19-V35 PolarHBondContact OG1-O 3.44Å; T19-T376 HydrophobicContact CG2-CG2 3.89Å
20V98.9Very high98.4Very high0 Ų034.1 Ų34.10%020%0.198CC..EExtended strand (participates in β ladder)trans-87.5131.7-176.1178.20000110.4V22 A34 V35 V62 A65 V66 I69 N109V20-V22 HydrophobicContact CG1-CG2 3.98Å; V20-A34 WeakPolarHBondContact O-CA 3.48Å; V20-V35 HydrophobicContact CB-CB 4.48Å; V20-V35 HydrophobicContact CB-CG2 4.37Å; V20-V35 PolarHBondContact O-N 3.11Å; V20-V62 HydrophobicContact CG2-CB 4.05Å; V20-V62 HydrophobicContact CG2-CG2 4.05Å; V20-A65 HydrophobicContact CG2-CB 3.85Å; V20-V66 HydrophobicContact CG2-CG2 4.4Å; V20-I69 HydrophobicContact CG1-CD1 3.52Å; V20-N109 HydrophobicContact CG2-CB 4.32Å
21E98.9Very high98.4Very high15 Ų1533.1 Ų33.17%0.0719%0.193CC..EExtended strand (participates in β ladder)trans-119.3141.2164.4-177.3-174.885.600109.6A8 R9 I11 R32 A33 A34A8-E21 CarbonylContact C-O 3.58Å; A8-E21 WeakPolarHBondContact CA-O 3.44Å; R9-E21 WeakPolarHBondContact CD-OE1 3.29Å; R9-E21 HydrophobicContact CG-CB 4.04Å; R9-E21 IonicContact CZ-OE1 2.66Å; R9-E21 PolarHBondContact N-O 3.13Å; R9-E21 IonicContact NE-OE1 3.16Å; R9-E21 IonicContact NH1-OE1 3.06Å; R9-E21 PolarHBondContact NH1-OE1 3.07Å; R9-E21 PolarHBondContact O-N 3.48Å; I11-E21 HydrophobicContact CD1-CB 3.99Å; I11-E21 HydrophobicContact CG1-CB 4.04Å; I11-E21 HydrophobicContact CG2-CB 3.8Å; I11-E21 HydrophobicContact CG2-CG 4.49Å; E21-R32 VanDerWaalsContact CD-CD 3.45Å; E21-R32 HydrophobicContact CG-CG 3.77Å; E21-R32 IonicContact OE1-CZ 2.72Å; E21-R32 IonicContact OE1-NE 2.95Å; E21-R32 VanDerWaalsContact OE2-CD 3.32Å; E21-R32 WeakPolarHBondContact OE2-CD 3.46Å; E21-R32 IonicContact OE2-NE 3.32Å; E21-A33 CarbonylContact C-O 3.55Å; E21-A33 WeakPolarHBondContact CA-O 3.44Å; E21-A34 HydrophobicContact CB-CB 4.41Å; E21-A34 HydrophobicContact CG-CB 4.45Å
22V98.9Very high98.4Very high0 Ų037 Ų370%021%0.206CC..EExtended strand (participates in β ladder)trans-126128.3-179.8-176.70000110.4I6 A8 V20 R32 A33 I69 G113 V114 A117I6-V22 HydrophobicContact CG2-CG1 3.81Å; A8-V22 HydrophobicContact CB-CG2 4.22Å; V20-V22 HydrophobicContact CG1-CG2 3.98Å; V22-R32 CarbonylContact O-C 3.55Å; V22-R32 VanDerWaalsContact O-CA 3.27Å; V22-R32 WeakPolarHBondContact O-CA 3.25Å; V22-A33 PolarHBondContact N-O 2.96Å; V22-A33 PolarHBondContact O-N 3.29Å; V22-I69 HydrophobicContact CG2-CD1 3.67Å; V22-G113 VanDerWaalsContact CG2-C 3.49Å; V22-V114 HydrophobicContact CG1-CG2 4.14Å; V22-V114 HydrophobicContact CG2-CG2 4.29Å; V22-A117 HydrophobicContact CB-CB 4.46Å; V22-A117 HydrophobicContact CG1-CB 4.23Å
23D98.9Very high98.4Very high6 Ų633.1 Ų33.13%0.03219%0.185CC..EExtended strand (participates in β ladder)trans-101.3119.9164.6-71.9-2.5000110I6 V7 R9 L30 F31 R32I6-D23 CarbonylContact C-O 3.6Å; I6-D23 WeakPolarHBondContact CA-O 3.28Å; V7-D23 PolarHBondContact N-O 3.34Å; V7-D23 PolarHBondContact O-N 3.49Å; R9-D23 IonicContact CZ-OD1 3.83Å; R9-D23 IonicContact CZ-OD2 3.11Å; R9-D23 VanDerWaalsContact CZ-OD2 3.24Å; R9-D23 IonicContact NH1-OD1 3.49Å; R9-D23 PolarHBondContact NH1-OD1 3.4Å; R9-D23 IonicContact NH1-OD2 3.34Å; R9-D23 PolarHBondContact NH1-OD2 3.27Å; R9-D23 IonicContact NH2-OD2 2.83Å; R9-D23 PolarHBondContact NH2-OD2 3.28Å; D23-L30 HydrophobicContact CB-CD1 4.37Å; D23-L30 HydrophobicContact CB-CD2 4.34Å; D23-L30 HydrophobicContact CB-CG 4.17Å; D23-F31 WeakPolarHBondContact CA-O 3.49Å; D23-R32 WeakPolarHBondContact OD1-CG 3.48Å; D23-R32 IonicContact OD1-CZ 2.95Å; D23-R32 IonicContact OD1-NE 3Å; D23-R32 PolarHBondContact OD1-NE 3.08Å; D23-R32 IonicContact OD1-NH2 2.97Å; D23-R32 PolarHBondContact OD1-NH2 3.22Å; D23-R32 IonicContact OD2-CZ 2.72Å; D23-R32 IonicContact OD2-NE 3.16Å; D23-R32 IonicContact OD2-NH2 2.64Å; D23-R32 PolarHBondContact OD2-NH2 2.72Å
24L98.8Very high98.4Very high0 Ų033 Ų330%019%0.185CC..EExtended strand (participates in β ladder)trans-106129.8170.2-172.2154.6000109.4I3 I6 T26 F31 V84 A117 I118 A121I3-L24 HydrophobicContact CD1-CD1 4.1Å; I3-L24 HydrophobicContact CG1-CD1 4.19Å; I3-L24 HydrophobicContact CG1-CD2 4.37Å; I3-L24 HydrophobicContact CG2-CD1 4.33Å; I3-L24 HydrophobicContact CG2-CD2 4.28Å; I3-L24 HydrophobicContact CG2-CG 4.02Å; I6-L24 HydrophobicContact CD1-CD1 4.22Å; I6-L24 HydrophobicContact CG1-CB 4.44Å; I6-L24 HydrophobicContact CG1-CD1 4.19Å; I6-L24 HydrophobicContact CG1-CG 4.04Å; L24-T26 HydrophobicContact CD2-CG2 3.49Å; L24-T26 VanDerWaalsContact CD2-CG2 3.49Å; L24-F31 HydrophobicContact CD2-CD2 4.39Å; L24-F31 PolarHBondContact N-O 3.03Å; L24-F31 PolarHBondContact O-N 3.16Å; L24-V84 HydrophobicContact CD2-CG1 4.2Å; L24-A117 HydrophobicContact CB-CB 3.82Å; L24-I118 HydrophobicContact CD1-CB 4.36Å; L24-I118 HydrophobicContact CD1-CG1 3.46Å; L24-I118 VanDerWaalsContact CD1-CG1 3.46Å; L24-A121 HydrophobicContact CD2-CB 3.74Å
25H98.6Very high98.4Very high56 Ų5631.9 Ų31.926%0.25918%0.178SC..EExtended strand (participates in β ladder)trans-107.7133.9177.8-63.473.8000110.9V4 N5 G29 L30V4-H25 PolarHBondContact N-O 2.76Å; N5-H25 HydrophobicContact CB-CB 4.07Å; N5-H25 PolarHBondContact N-O 2.81Å; N5-H25 PolarHBondContact O-N 2.86Å; H25-G29 WeakPolarHBondContact CA-O 3.36Å; H25-L30 WeakPolarHBondContact NE2-CD1 3.36Å
26T98.4Very high98.5Very high11 Ų1129.7 Ų29.77%0.06717%0.171CC..EExtended strand (participates in β ladder)trans-127.7-178.6165.1790000109.2L24 K28 G29 F31 V84 A121L24-T26 HydrophobicContact CD2-CG2 3.49Å; L24-T26 VanDerWaalsContact CD2-CG2 3.49Å; T26-K28 PolarHBondContact O-N 3.28Å; T26-K28 VanDerWaalsContact O-N 3.1Å; T26-K28 WeakPolarHBondContact OG1-CB 3.35Å; T26-K28 PolarHBondContact OG1-N 3.06Å; T26-G29 PolarHBondContact N-O 2.96Å; T26-G29 PolarHBondContact O-N 2.69Å; T26-G29 VanDerWaalsContact O-N 3.09Å; T26-F31 HydrophobicContact CG2-CD2 4.39Å; T26-F31 HydrophobicContact CG2-CE2 4.19Å; T26-F31 WeakPolarHBondContact OG1-CE2 3.4Å; T26-V84 HydrophobicContact CG2-CG1 4.03Å; T26-A121 HydrophobicContact CG2-CB 4.06Å
27A96.9Very high98.4Very high83 Ų8328 Ų2869%0.68615%0.153SC*.THydrogen-bonded Turntrans-60.8-15.5170.500000113.5M1M1-A27 HydrophobicContact SD-CB 3.74Å
28K97.9Very high97.8Very high116 Ų11627.1 Ų27.150%0.50415%0.151SC..THydrogen-bonded Turntrans-85.3-11.5176.6-63.5-69.6-174.9168.30113.7T26 F31T26-K28 PolarHBondContact O-N 3.28Å; T26-K28 VanDerWaalsContact O-N 3.1Å; T26-K28 WeakPolarHBondContact OG1-CB 3.35Å; T26-K28 PolarHBondContact OG1-N 3.06Å; K28-F31 HydrophobicContact CB-CE2 4.16Å; K28-F31 HydrophobicContact CB-CZ 3.8Å
29G98.1Very high96.8Very high32 Ų3229 Ų2933%0.3317%0.166SC..EExtended strand (participates in β ladder)trans127.9-15717900000113.3H25 T26 F31H25-G29 WeakPolarHBondContact CA-O 3.36Å; T26-G29 PolarHBondContact N-O 2.96Å; T26-G29 PolarHBondContact O-N 2.69Å; T26-G29 VanDerWaalsContact O-N 3.09Å; G29-F31 WeakPolarHBondContact O-CE2 3.48Å
30L98.6Very high95.3Very high78 Ų7829.2 Ų29.241%0.40817%0.168SC..EExtended strand (participates in β ladder)trans-99.8130.7-179.4-178.5165000109.7D23 H25 R32D23-L30 HydrophobicContact CB-CD1 4.37Å; D23-L30 HydrophobicContact CB-CD2 4.34Å; D23-L30 HydrophobicContact CB-CG 4.17Å; H25-L30 WeakPolarHBondContact NE2-CD1 3.36Å; L30-R32 HydrophobicContact CD2-CB 3.99Å
31F98.8Very high94.4Very high27 Ų2732.6 Ų32.612%0.11819%0.188CC..EExtended strand (participates in β ladder)trans-120.1120.5176.7-56.4-78.2000109.2D23 L24 T26 K28 G29 K120 A121 A124D23-F31 WeakPolarHBondContact CA-O 3.49Å; L24-F31 HydrophobicContact CD2-CD2 4.39Å; L24-F31 PolarHBondContact N-O 3.03Å; L24-F31 PolarHBondContact O-N 3.16Å; T26-F31 HydrophobicContact CG2-CD2 4.39Å; T26-F31 HydrophobicContact CG2-CE2 4.19Å; T26-F31 WeakPolarHBondContact OG1-CE2 3.4Å; K28-F31 HydrophobicContact CB-CE2 4.16Å; K28-F31 HydrophobicContact CB-CZ 3.8Å; G29-F31 WeakPolarHBondContact O-CE2 3.48Å; F31-K120 HydrophobicContact CB-CB 4.12Å; F31-K120 HydrophobicContact CD1-CB 4.26Å; F31-A121 HydrophobicContact CB-CB 4.15Å; F31-A121 HydrophobicContact CD1-CB 4.29Å; F31-A121 HydrophobicContact CD2-CB 3.37Å; F31-A121 HydrophobicContact CE2-CB 3.83Å; F31-A121 HydrophobicContact CG-CB 3.63Å; F31-A121 HydrophobicContact CZ-CB 4.47Å; F31-A124 HydrophobicContact CD1-CB 4.34Å; F31-A124 HydrophobicContact CE1-CB 3.21Å; F31-A124 HydrophobicContact CZ-CB 3.37Å
32R98.9Very high93.4Very high113 Ų11332 Ų3243%0.42619%0.187SC..EExtended strand (participates in β ladder)trans-111.8135.9-172.8180171.1-71.3162.95.8111.3E21 V22 D23 L30 K120E21-R32 VanDerWaalsContact CD-CD 3.45Å; E21-R32 HydrophobicContact CG-CG 3.77Å; E21-R32 IonicContact OE1-CZ 2.72Å; E21-R32 IonicContact OE1-NE 2.95Å; E21-R32 VanDerWaalsContact OE2-CD 3.32Å; E21-R32 WeakPolarHBondContact OE2-CD 3.46Å; E21-R32 IonicContact OE2-NE 3.32Å; V22-R32 CarbonylContact O-C 3.55Å; V22-R32 VanDerWaalsContact O-CA 3.27Å; V22-R32 WeakPolarHBondContact O-CA 3.25Å; D23-R32 WeakPolarHBondContact OD1-CG 3.48Å; D23-R32 IonicContact OD1-CZ 2.95Å; D23-R32 IonicContact OD1-NE 3Å; D23-R32 PolarHBondContact OD1-NE 3.08Å; D23-R32 IonicContact OD1-NH2 2.97Å; D23-R32 PolarHBondContact OD1-NH2 3.22Å; D23-R32 IonicContact OD2-CZ 2.72Å; D23-R32 IonicContact OD2-NE 3.16Å; D23-R32 IonicContact OD2-NH2 2.64Å; D23-R32 PolarHBondContact OD2-NH2 2.72Å; L30-R32 HydrophobicContact CD2-CB 3.99Å; R32-K120 WeakPolarHBondContact O-CD 3.46Å; R32-K120 WeakPolarHBondContact O-CE 3.25Å; R32-K120 PolarHBondContact O-NZ 3.42Å
33A98.8Very high93Very high0 Ų037.4 Ų37.40%021%0.214CC..EExtended strand (participates in β ladder)trans-136.6145.1168.600000112.3E21 V22 L116 A117 D378E21-A33 CarbonylContact C-O 3.55Å; E21-A33 WeakPolarHBondContact CA-O 3.44Å; V22-A33 PolarHBondContact N-O 2.96Å; V22-A33 PolarHBondContact O-N 3.29Å; A33-L116 HydrophobicContact CB-CB 3.4Å; A33-L116 VanDerWaalsContact CB-CB 3.4Å; A33-L116 HydrophobicContact CB-CD1 4.32Å; A33-A117 HydrophobicContact CB-CB 4.13Å; A33-D378 WeakPolarHBondContact CA-OD2 3.39Å
34A98.8Very high92.7Very high6 Ų641.4 Ų41.45%0.0523%0.23CC..EExtended strand (participates in β ladder)trans-120151173.700000111.7I11 V20 E21 T376 D378I11-A34 HydrophobicContact CD1-CB 3.76Å; V20-A34 WeakPolarHBondContact O-CA 3.48Å; E21-A34 HydrophobicContact CB-CB 4.41Å; E21-A34 HydrophobicContact CG-CB 4.45Å; A34-T376 HydrophobicContact CB-CG2 3.9Å; A34-D378 HydrophobicContact CB-CB 4.31Å; A34-D378 PolarHBondContact N-OD2 3.4Å
35V98.8Very high92.5Very high1 Ų142.6 Ų42.61%0.00624%0.235CC..  trans-101129.1-174.7175.90000110.7T19 V20 N109 L112T19-V35 WeakPolarHBondContact CB-O 3.29Å; T19-V35 WeakPolarHBondContact CG2-O 3.16Å; T19-V35 PolarHBondContact OG1-O 3.44Å; V20-V35 HydrophobicContact CB-CB 4.48Å; V20-V35 HydrophobicContact CB-CG2 4.37Å; V20-V35 PolarHBondContact O-N 3.11Å; V35-N109 HydrophobicContact CG1-CB 3.87Å; V35-N109 WeakPolarHBondContact CG2-O 3.46Å; V35-L112 HydrophobicContact CG1-CD2 3.97Å; V35-L112 HydrophobicContact CG2-CB 4.32Å; V35-L112 HydrophobicContact CG2-CD2 4.33Å; V35-L112 HydrophobicContact CG2-CG 4.44Å
36P98.3Very high92.4Very high13 Ų1340.4 Ų40.48%0.08423%0.227CC..  trans-80.2165.6174.535.5-37.1000111.7N345 R372 G374P36-N345 HydrophobicContact CG-CB 4.29Å; P36-N345 PolarHBondContact O-ND2 2.95Å; P36-N345 VanDerWaalsContact O-ND2 3.12Å; P36-R372 HydrophobicContact CB-CB 4.02Å; P36-R372 HydrophobicContact CB-CG 3.84Å; P36-R372 HydrophobicContact CG-CG 3.97Å; P36-G374 CarbonylContact C-O 3.4Å; P36-G374 WeakPolarHBondContact CA-O 3.44Å; P36-G374 WeakPolarHBondContact CB-O 3.44Å
37S95.8Very high92.3Very high3 Ų343.2 Ų43.22%0.02124%0.241CC..BIsolated β-bridgetrans-135.9141.2-179.8178.90000112.2R15 E48 R50 R372 G374R15-S37 PolarHBondContact NH2-O 2.75Å; S37-E48 WeakPolarHBondContact CB-OE1 3.46Å; S37-E48 PolarHBondContact OG-OE1 3.25Å; S37-E48 PolarHBondContact OG-OE2 3.22Å; S37-R50 PolarHBondContact OG-NH2 3.12Å; S37-R372 VanDerWaalsContact O-CB 3.25Å; S37-R372 WeakPolarHBondContact O-CB 3.39Å; S37-G374 PolarHBondContact N-O 3.27Å; S37-G374 CarbonylContact O-C 3.47Å; S37-G374 WeakPolarHBondContact O-CA 3.24Å; S37-G374 PolarHBondContact O-N 2.64Å
38G84.9Confident92.4Very high10 Ų1041.6 Ų41.610%0.10322%0.219CC..  trans-81.716918000000115.2R15R15-G38 PolarHBondContact NH1-O 3.46Å; R15-G38 PolarHBondContact NH2-O 3.21Å
39A77.1Confident92.3Very high39 Ų3937.4 Ų37.432%0.32220%0.202SC..SBendtrans-109.1-62166.200000109.4S373A39-S373 VanDerWaalsContact CB-OG 3.24Å; A39-S373 WeakPolarHBondContact CB-OG 3.34Å; A39-S373 PolarHBondContact N-OG 3.39Å
40S69.3Low92.3Very high5 Ų538.4 Ų38.44%0.03520%0.196CC..SBendtrans-77.6119.6159.735.10000107.8Q166 R372S40-Q166 PolarHBondContact OG-NE2 2.87Å; S40-Q166 PolarHBondContact OG-OE1 3.03Å; S40-R372 PolarHBondContact O-NH2 3.45Å
41T79Confident92.3Very high70 Ų7035.4 Ų35.443%0.42918%0.18SC..  trans-129115.2-179.555.10000108.1E45T41-E45 WeakPolarHBondContact CA-OE1 3.42Å
42G78.4Confident92.3Very high4 Ų436.7 Ų36.74%0.04120%0.201CC..  trans-53.1143.3171.200000111.4Y44 E45 Q298 D319G42-Y44 PolarHBondContact O-N 3.3Å; G42-E45 PolarHBondContact N-OE1 3.07Å; G42-E45 WeakPolarHBondContact O-CG 3.5Å; G42-E45 PolarHBondContact O-N 3.38Å; G42-E45 VanDerWaalsContact O-N 3.17Å; G42-Q298 VanDerWaalsContact CA-OE1 3.26Å; G42-D319 VanDerWaalsContact CA-OD1 3.26Å; G42-D319 WeakPolarHBondContact CA-OD1 3.44Å; G42-D319 PolarHBondContact N-OD1 2.98Å
43I89.4Confident92.2Very high113 Ų11334.6 Ų34.658%0.57920%0.199SC*.THydrogen-bonded Turntrans-68.2-12.2-17467-176.7000112.9
44Y93.8Very high92.1Very high89 Ų8943.4 Ų43.435%0.34924%0.237SC..THydrogen-bonded Turntrans-99.90.6-178.9-59.6-71.3000113.8G42 Q298 D299 R327G42-Y44 PolarHBondContact O-N 3.3Å; Y44-Q298 HydrophobicContact CE2-CG 4.32Å; Y44-D299 WeakPolarHBondContact CE2-OD1 3.4Å; Y44-D299 VanDerWaalsContact CE2-OD2 3.32Å; Y44-D299 WeakPolarHBondContact CE2-OD2 3.31Å; Y44-D299 PolarHBondContact OH-OD1 2.95Å; Y44-D299 VanDerWaalsContact OH-OD1 3.06Å; Y44-D299 PolarHBondContact OH-OD2 2.54Å; Y44-R327 VanDerWaalsContact CD2-CZ 3.45Å; Y44-R327 VanDerWaalsContact CD2-NH1 3.3Å; Y44-R327 VanDerWaalsContact CE2-CZ 3.44Å
45E94.5Very high92Very high25 Ų2549.3 Ų49.312%0.11727%0.273CS..SBendtrans-59.8150.6175.9-69.1-168.1-16500111.7T41 G42 V322 Q346 R372T41-E45 WeakPolarHBondContact CA-OE1 3.42Å; G42-E45 PolarHBondContact N-OE1 3.07Å; G42-E45 WeakPolarHBondContact O-CG 3.5Å; G42-E45 PolarHBondContact O-N 3.38Å; G42-E45 VanDerWaalsContact O-N 3.17Å; E45-V322 HydrophobicContact CG-CB 4.11Å; E45-V322 HydrophobicContact CG-CG1 3.67Å; E45-Q346 VanDerWaalsContact CD-CG 3.47Å; E45-Q346 HydrophobicContact CG-CB 4.11Å; E45-Q346 HydrophobicContact CG-CG 3.76Å; E45-Q346 PolarHBondContact OE1-NE2 2.86Å; E45-R372 IonicContact OE1-CZ 2.78Å; E45-R372 IonicContact OE1-NH1 3.74Å; E45-R372 IonicContact OE1-NH2 3.69Å; E45-R372 PolarHBondContact OE1-NH2 3.21Å; E45-R372 IonicContact OE2-CZ 2.94Å; E45-R372 IonicContact OE2-NH1 2.98Å; E45-R372 PolarHBondContact OE2-NH1 3.22Å; E45-R372 IonicContact OE2-NH2 3.96Å; E45-R372 PolarHBondContact OE2-NH2 3.48Å; E45-R372 VanDerWaalsContact OE2-NH2 3.11Å
46A96Very high92Very high10 Ų1053.4 Ų53.48%0.08329%0.288CS..PPolyproline II helixtrans-59.4144.3165.100000110.1E48 N102 K103 A108 Q346A46-E48 PolarHBondContact O-N 3.13Å; A46-N102 WeakPolarHBondContact CA-O 3.44Å; A46-K103 HydrophobicContact CB-CD 4.34Å; A46-A108 HydrophobicContact CB-CB 3.58Å; A46-Q346 WeakPolarHBondContact CB-O 3.42Å; A46-Q346 PolarHBondContact N-O 3.04Å
47L97Very high92Very high70 Ų7057.7 Ų57.737%0.36630%0.303SS..PPolyproline II helixtrans-70.8119.4-167.3-175.873.5000111.8L49 N102 G107 A108L47-L49 PolarHBondContact O-N 3.09Å; L47-N102 PolarHBondContact N-O 2.91Å; L47-G107 CarbonylContact O-C 3.57Å; L47-G107 WeakPolarHBondContact O-CA 3.27Å; L47-A108 WeakPolarHBondContact O-CB 3.34Å; L47-A108 PolarHBondContact O-N 3.23Å
48E97.3Very high92Very high49 Ų4966.6 Ų66.623%0.22934%0.342CS..  trans-75.3110.4161.8-174.5-179.6-165.200110S37 A46 R50 N109S37-E48 WeakPolarHBondContact CB-OE1 3.46Å; S37-E48 PolarHBondContact OG-OE1 3.25Å; S37-E48 PolarHBondContact OG-OE2 3.22Å; A46-E48 PolarHBondContact O-N 3.13Å; E48-R50 VanDerWaalsContact CD-NE 3.31Å; E48-R50 VanDerWaalsContact CD-NH2 3.32Å; E48-R50 PolarHBondContact O-N 3.08Å; E48-R50 IonicContact OE1-CZ 3.61Å; E48-R50 IonicContact OE1-NE 3.59Å; E48-R50 PolarHBondContact OE1-NE 2.89Å; E48-R50 VanDerWaalsContact OE1-NE 3.16Å; E48-R50 IonicContact OE1-NH2 3.8Å; E48-R50 PolarHBondContact OE1-NH2 3.44Å; E48-R50 IonicContact OE2-CZ 3.6Å; E48-R50 IonicContact OE2-NE 3.64Å; E48-R50 PolarHBondContact OE2-NE 3.29Å; E48-R50 IonicContact OE2-NH2 3.26Å; E48-R50 PolarHBondContact OE2-NH2 3.36Å; E48-N109 HydrophobicContact CG-CB 4.29Å
49L97.8Very high92.6Very high28 Ų2866.7 Ų66.715%0.14734%0.342CS..  trans-78116.5-178.6-177.465000111L47 K64 A65 F106 N109L47-L49 PolarHBondContact O-N 3.09Å; L49-K64 HydrophobicContact CD2-CB 3.99Å; L49-K64 HydrophobicContact CG-CB 4.42Å; L49-A65 HydrophobicContact CB-CB 4.48Å; L49-A65 HydrophobicContact CD2-CB 4.49Å; L49-F106 WeakPolarHBondContact CD2-O 3.33Å; L49-N109 PolarHBondContact N-OD1 3.18Å; L49-N109 PolarHBondContact O-ND2 2.94Å
50R98.1Very high93.6Very high53 Ų5368.9 Ų68.920%0.234%0.344CS..  trans-111.5153.3174.2-60.2-63.7-168.7161.1-8.6111.2P18 S37 E48 G52 K60 G61P18-R50 PolarHBondContact O-NH1 2.85Å; S37-R50 PolarHBondContact OG-NH2 3.12Å; E48-R50 VanDerWaalsContact CD-NE 3.31Å; E48-R50 VanDerWaalsContact CD-NH2 3.32Å; E48-R50 PolarHBondContact O-N 3.08Å; E48-R50 IonicContact OE1-CZ 3.61Å; E48-R50 IonicContact OE1-NE 3.59Å; E48-R50 PolarHBondContact OE1-NE 2.89Å; E48-R50 VanDerWaalsContact OE1-NE 3.16Å; E48-R50 IonicContact OE1-NH2 3.8Å; E48-R50 PolarHBondContact OE1-NH2 3.44Å; E48-R50 IonicContact OE2-CZ 3.6Å; E48-R50 IonicContact OE2-NE 3.64Å; E48-R50 PolarHBondContact OE2-NE 3.29Å; E48-R50 IonicContact OE2-NH2 3.26Å; E48-R50 PolarHBondContact OE2-NH2 3.36Å; R50-G52 PolarHBondContact O-N 3.43Å; R50-K60 PolarHBondContact NH1-O 3.26Å; R50-G61 CarbonylContact C-O 3.58Å; R50-G61 WeakPolarHBondContact CA-O 3.4Å
51D97.9Very high95Very high15 Ų1568.7 Ų68.78%0.0834%0.343CS..  trans-68.2-36.2-175.7-69.4-19.5000112.9D53 R56 G61 V62 T63 K64D51-D53 PolarHBondContact O-N 3.42Å; D51-R56 IonicContact OD2-NH1 2.78Å; D51-G61 WeakPolarHBondContact CB-O 3.47Å; D51-G61 VanDerWaalsContact CG-O 3.22Å; D51-G61 PolarHBondContact N-O 2.77Å; D51-G61 VanDerWaalsContact OD2-CA 3.23Å; D51-G61 WeakPolarHBondContact OD2-CA 3.19Å; D51-V62 PolarHBondContact OD2-N 2.84Å; D51-T63 VanDerWaalsContact CG-N 3.35Å; D51-T63 PolarHBondContact OD1-N 2.96Å; D51-T63 PolarHBondContact OD1-OG1 3.05Å; D51-T63 WeakPolarHBondContact OD2-CB 3.23Å; D51-T63 PolarHBondContact OD2-N 3.36Å; D51-T63 PolarHBondContact OD2-OG1 2.87Å; D51-K64 PolarHBondContact O-NZ 3.1Å; D51-K64 WeakPolarHBondContact OD1-CG 3.39Å; D51-K64 PolarHBondContact OD1-N 3.44Å
52G97.4Very high95.9Very high54 Ų5465.3 Ų65.356%0.55732%0.323SS*.  trans77.4-0.2-177.800000114.8R50 K54 G59R50-G52 PolarHBondContact O-N 3.43Å; G52-K54 PolarHBondContact O-N 3.4Å; G52-K54 VanDerWaalsContact O-N 3.15Å; G52-G59 WeakPolarHBondContact CA-O 3.35Å; G52-G59 PolarHBondContact N-O 2.92Å
53D97.3Very high96.9Very high70 Ų7068.3 Ų68.337%0.37434%0.34SS..  trans-74.6101.3176.7178.15000111.4D51 T55 R56 G59D51-D53 PolarHBondContact O-N 3.42Å; D53-T55 VanDerWaalsContact CG-OG1 3.27Å; D53-T55 PolarHBondContact O-N 3.02Å; D53-T55 WeakPolarHBondContact OD1-CB 3.3Å; D53-T55 PolarHBondContact OD1-N 3.09Å; D53-T55 PolarHBondContact OD1-OG1 3.39Å; D53-T55 PolarHBondContact OD2-OG1 3.18Å; D53-R56 PolarHBondContact O-N 3.1Å; D53-G59 WeakPolarHBondContact O-CA 3.36Å; D53-G59 PolarHBondContact O-N 3.24Å
54K97.1Very high97.3Very high184 Ų18467.9 Ų67.980%0.833%0.334SS*.THydrogen-bonded Turntrans-58.6-20.8-179.1-66.9-175.8178.3-179.90113.7G52 R56G52-K54 PolarHBondContact O-N 3.4Å; G52-K54 VanDerWaalsContact O-N 3.15Å; K54-R56 VanDerWaalsContact C-N 3.34Å
55T97.7Very high97.6Very high131 Ų13163.7 Ų63.780%0.80432%0.318SS*.THydrogen-bonded Turntrans-80.3-16.2179.773.50000113.1D53D53-T55 VanDerWaalsContact CG-OG1 3.27Å; D53-T55 PolarHBondContact O-N 3.02Å; D53-T55 WeakPolarHBondContact OD1-CB 3.3Å; D53-T55 PolarHBondContact OD1-N 3.09Å; D53-T55 PolarHBondContact OD1-OG1 3.39Å; D53-T55 PolarHBondContact OD2-OG1 3.18Å
56R97.9Very high97.8Very high86 Ų8663.3 Ų63.333%0.32532%0.317SS..SBendtrans-123.6122-178.1-174.4-178.2-173.2-82.7-6.6111E10 D51 D53 K54 K58 G59E10-R56 IonicContact OE1-CZ 2.75Å; E10-R56 VanDerWaalsContact OE1-CZ 3.24Å; E10-R56 IonicContact OE1-NH1 3.66Å; E10-R56 PolarHBondContact OE1-NH1 3.09Å; E10-R56 IonicContact OE1-NH2 3.38Å; E10-R56 PolarHBondContact OE1-NH2 3.09Å; E10-R56 IonicContact OE2-CZ 2.84Å; E10-R56 IonicContact OE2-NH1 3.91Å; E10-R56 PolarHBondContact OE2-NH1 3.27Å; E10-R56 IonicContact OE2-NH2 3.5Å; D51-R56 IonicContact OD2-NH1 2.78Å; D53-R56 PolarHBondContact O-N 3.1Å; K54-R56 VanDerWaalsContact C-N 3.34Å; R56-K58 PolarHBondContact O-N 2.66Å; R56-G59 PolarHBondContact O-N 3.29Å
57Y97.5Very high97.9Very high103 Ų10364.6 Ų64.640%0.40433%0.327SS..G310 helixtrans47.434.2-178-71-75.5000113.7E10 L12 P18 G59 K60E10-Y57 WeakPolarHBondContact OE1-CE2 3.49Å; L12-Y57 HydrophobicContact CD2-CE1 3.79Å; P18-Y57 HydrophobicContact CG-CD1 3.57Å; P18-Y57 HydrophobicContact CG-CD2 3.39Å; P18-Y57 HydrophobicContact CG-CE1 4Å; P18-Y57 HydrophobicContact CG-CE2 3.83Å; P18-Y57 HydrophobicContact CG-CG 3.25Å; Y57-G59 PolarHBondContact O-N 2.89Å; Y57-K60 WeakPolarHBondContact O-CB 3.33Å; Y57-K60 PolarHBondContact O-N 3.19Å
58K96.9Very high98Very high191 Ų19163.7 Ų63.783%0.8332%0.321SS*.G310 helixtrans54.933.6-178.4-52.5176.4179.9177.40113.4R56R56-K58 PolarHBondContact O-N 2.66Å
59G97.3Very high98.1Very high11 Ų1161.3 Ų61.311%0.11331%0.31CS..G310 helixtrans91.1-4.2-178.100000115.1G52 D53 R56 Y57G52-G59 WeakPolarHBondContact CA-O 3.35Å; G52-G59 PolarHBondContact N-O 2.92Å; D53-G59 WeakPolarHBondContact O-CA 3.36Å; D53-G59 PolarHBondContact O-N 3.24Å; R56-G59 PolarHBondContact O-N 3.29Å; Y57-G59 PolarHBondContact O-N 2.89Å
60K98.2Very high98.1Very high85 Ų8562.5 Ų62.537%0.3732%0.317SS..THydrogen-bonded Turntrans-9611.6-172.1-57.7-177.5178.2-1730114.7N17 P18 R50 Y57N17-K60 HydrophobicContact CB-CD 4.26Å; N17-K60 WeakPolarHBondContact OD1-CD 3.48Å; N17-K60 PolarHBondContact OD1-NZ 3.05Å; P18-K60 WeakPolarHBondContact CB-O 3.23Å; R50-K60 PolarHBondContact NH1-O 3.26Å; Y57-K60 WeakPolarHBondContact O-CB 3.33Å; Y57-K60 PolarHBondContact O-N 3.19Å
61G98.5Very high98.2Very high1 Ų165.7 Ų65.71%0.0134%0.338CS..  trans-56156.5172.300000112.2R50 D51R50-G61 CarbonylContact C-O 3.58Å; R50-G61 WeakPolarHBondContact CA-O 3.4Å; D51-G61 WeakPolarHBondContact CB-O 3.47Å; D51-G61 VanDerWaalsContact CG-O 3.22Å; D51-G61 PolarHBondContact N-O 2.77Å; D51-G61 VanDerWaalsContact OD2-CA 3.23Å; D51-G61 WeakPolarHBondContact OD2-CA 3.19Å
62V98.8Very high98.2Very high0 Ų067.6 Ų67.60%035%0.35CS..  trans-124.225.6176.9-64.50000112.2E10 P18 V20 D51 K64 A65 V66E10-V62 HydrophobicContact CB-CG2 4.09Å; E10-V62 HydrophobicContact CG-CG2 3.61Å; E10-V62 PolarHBondContact OE2-N 3.18Å; P18-V62 HydrophobicContact CB-CG1 4.5Å; P18-V62 HydrophobicContact CB-CG2 4.12Å; V20-V62 HydrophobicContact CG2-CB 4.05Å; V20-V62 HydrophobicContact CG2-CG2 4.05Å; D51-V62 PolarHBondContact OD2-N 2.84Å; V62-K64 VanDerWaalsContact C-N 3.26Å; V62-K64 PolarHBondContact O-N 3.27Å; V62-A65 HydrophobicContact CB-CB 4.36Å; V62-A65 PolarHBondContact O-N 3.35Å; V62-V66 HydrophobicContact CG2-CG2 4.36Å; V62-V66 WeakPolarHBondContact O-CG2 3.23Å; V62-V66 PolarHBondContact O-N 3.49Å
63T98.7Very high98.2Very high66 Ų6665 Ų6541%0.40532%0.323SS..Hα-helixtrans-63.4-32.6-177.360.80000112.5D51 A67D51-T63 VanDerWaalsContact CG-N 3.35Å; D51-T63 PolarHBondContact OD1-N 2.96Å; D51-T63 PolarHBondContact OD1-OG1 3.05Å; D51-T63 WeakPolarHBondContact OD2-CB 3.23Å; D51-T63 PolarHBondContact OD2-N 3.36Å; D51-T63 PolarHBondContact OD2-OG1 2.87Å; T63-A67 WeakPolarHBondContact O-CB 3.4Å; T63-A67 PolarHBondContact O-N 3.41Å
64K98.7Very high98.3Very high105 Ų10561.8 Ų61.846%0.45731%0.307SS..Hα-helixtrans-64.2-46.1173-68.2175.2-177167.10112.3L49 D51 V62 A67 H68L49-K64 HydrophobicContact CD2-CB 3.99Å; L49-K64 HydrophobicContact CG-CB 4.42Å; D51-K64 PolarHBondContact O-NZ 3.1Å; D51-K64 WeakPolarHBondContact OD1-CG 3.39Å; D51-K64 PolarHBondContact OD1-N 3.44Å; V62-K64 VanDerWaalsContact C-N 3.26Å; V62-K64 PolarHBondContact O-N 3.27Å; K64-A67 PolarHBondContact O-N 2.92Å; K64-H68 PolarHBondContact O-CD2 3.29Å; K64-H68 PolarHBondContact O-N 3.34Å
65A98.8Very high98.3Very high0 Ų056.2 Ų56.20%029%0.29CS..Hα-helixtrans-62.6-45.5177.800000111.3V20 L49 V62 A67 H68 I69 S110V20-A65 HydrophobicContact CG2-CB 3.85Å; L49-A65 HydrophobicContact CB-CB 4.48Å; L49-A65 HydrophobicContact CD2-CB 4.49Å; V62-A65 HydrophobicContact CB-CB 4.36Å; V62-A65 PolarHBondContact O-N 3.35Å; A65-A67 VanDerWaalsContact C-N 3.31Å; A65-A67 PolarHBondContact O-N 2.81Å; A65-H68 PolarHBondContact O-N 3.43Å; A65-I69 PolarHBondContact O-N 2.81Å; A65-I69 VanDerWaalsContact O-N 3.16Å; A65-S110 WeakPolarHBondContact CA-OG 3.39Å; A65-S110 VanDerWaalsContact CB-OG 3.26Å; A65-S110 WeakPolarHBondContact CB-OG 3.37Å; A65-S110 PolarHBondContact O-OG 3.09Å
66V98.9Very high98.4Very high18 Ų1851.3 Ų51.311%0.10926%0.262CS..Hα-helixtrans-58.1-42.8174169.70000111.6A8 V20 V62 I69 N70A8-V66 HydrophobicContact CB-CB 4.48Å; A8-V66 HydrophobicContact CB-CG1 4.09Å; A8-V66 WeakPolarHBondContact O-CG1 3.46Å; V20-V66 HydrophobicContact CG2-CG2 4.4Å; V62-V66 HydrophobicContact CG2-CG2 4.36Å; V62-V66 WeakPolarHBondContact O-CG2 3.23Å; V62-V66 PolarHBondContact O-N 3.49Å; V66-I69 PolarHBondContact O-N 3.31Å; V66-N70 WeakPolarHBondContact CG1-ND2 3.15Å; V66-N70 PolarHBondContact O-N 2.62Å; V66-N70 PolarHBondContact O-ND2 3.31Å
67A98.8Very high98.4Very high36 Ų3647.2 Ų47.230%0.29825%0.247SC..Hα-helixtrans-64.7-41.7176.700000112.2T63 K64 A65 I69 N70 D71T63-A67 WeakPolarHBondContact O-CB 3.4Å; T63-A67 PolarHBondContact O-N 3.41Å; K64-A67 PolarHBondContact O-N 2.92Å; A65-A67 VanDerWaalsContact C-N 3.31Å; A65-A67 PolarHBondContact O-N 2.81Å; A67-I69 PolarHBondContact O-N 2.99Å; A67-N70 PolarHBondContact O-N 3.3Å; A67-D71 VanDerWaalsContact O-CB 3.29Å; A67-D71 WeakPolarHBondContact O-CB 3.35Å; A67-D71 PolarHBondContact O-N 3.22Å
68H98.8Very high98.3Very high51 Ų5145 Ų4524%0.23624%0.242CC..Hα-helixtrans-58-37.7174.6-71.8-48.5000112.5K64 A65 T72 L73 K105 F106K64-H68 PolarHBondContact O-CD2 3.29Å; K64-H68 PolarHBondContact O-N 3.34Å; A65-H68 PolarHBondContact O-N 3.43Å; H68-T72 WeakPolarHBondContact O-CA 3.33Å; H68-T72 VanDerWaalsContact O-CB 3.3Å; H68-T72 WeakPolarHBondContact O-CB 3.47Å; H68-T72 PolarHBondContact O-N 3.44Å; H68-L73 PolarHBondContact O-N 2.93Å; H68-K105 PolarHBondContact NE2-O 3.46Å; H68-F106 HydrophobicContact CB-CB 4.34Å; H68-F106 HydrophobicContact CB-CD1 4.14Å; H68-F106 PolarHBondContact CD2-O 3.1Å; H68-F106 AromaticContact CG-CD1 3.85Å; H68-F106 AromaticContact ND1-CD1 3.73Å
69I98.9Very high98.3Very high0 Ų044.3 Ų44.30%024%0.241CC..Iπ-helixtrans-68.5-53.6175.1-61.3164.8000110.8I6 A8 V20 V22 A65 V66 A67 L73 G74 S110 V114I6-I69 HydrophobicContact CG2-CG2 3.63Å; A8-I69 HydrophobicContact CB-CB 3.64Å; A8-I69 HydrophobicContact CB-CD1 3.57Å; A8-I69 HydrophobicContact CB-CG1 4.23Å; A8-I69 HydrophobicContact CB-CG2 3.66Å; V20-I69 HydrophobicContact CG1-CD1 3.52Å; V22-I69 HydrophobicContact CG2-CD1 3.67Å; A65-I69 PolarHBondContact O-N 2.81Å; A65-I69 VanDerWaalsContact O-N 3.16Å; V66-I69 PolarHBondContact O-N 3.31Å; A67-I69 PolarHBondContact O-N 2.99Å; I69-L73 HydrophobicContact CG1-CD1 4.27Å; I69-G74 WeakPolarHBondContact O-CA 3.39Å; I69-G74 PolarHBondContact O-N 3Å; I69-S110 WeakPolarHBondContact CD1-O 3.34Å; I69-V114 HydrophobicContact CB-CG2 4.44Å; I69-V114 HydrophobicContact CD1-CG2 4.25Å; I69-V114 HydrophobicContact CG1-CG2 4Å; I69-V114 HydrophobicContact CG2-CG2 3.65Å
70N98.8Very high98.2Very high52 Ų5246 Ų4628%0.27825%0.252SS..Iπ-helixtrans-68.1-39.5-172.2-72.6-25.8000113.1V7 A8 V66 A67 P75V7-N70 WeakPolarHBondContact CA-OD1 3.35Å; A8-N70 PolarHBondContact N-OD1 3.02Å; A8-N70 PolarHBondContact O-ND2 2.89Å; V66-N70 WeakPolarHBondContact CG1-ND2 3.15Å; V66-N70 PolarHBondContact O-N 2.62Å; V66-N70 PolarHBondContact O-ND2 3.31Å; A67-N70 PolarHBondContact O-N 3.3Å; N70-P75 WeakPolarHBondContact O-CD 3.44Å
71D98.7Very high98.1Very high121 Ų12144.3 Ų44.365%0.64726%0.258SS*.Iπ-helixtrans-99.7-16.2-169.2-56.5-28.8000112.7A67A67-D71 VanDerWaalsContact O-CB 3.29Å; A67-D71 WeakPolarHBondContact O-CB 3.35Å; A67-D71 PolarHBondContact O-N 3.22Å
72T98.6Very high98Very high54 Ų5445 Ų4533%0.33126%0.262SS..Iπ-helixtrans-128.9-65.2-174.4-52.20000113.3H68 A76 M97 F106H68-T72 WeakPolarHBondContact O-CA 3.33Å; H68-T72 VanDerWaalsContact O-CB 3.3Å; H68-T72 WeakPolarHBondContact O-CB 3.47Å; H68-T72 PolarHBondContact O-N 3.44Å; T72-A76 WeakPolarHBondContact O-CB 3.33Å; T72-A76 PolarHBondContact O-N 2.74Å; T72-M97 HydrophobicContact CG2-CE 4.01Å; T72-F106 HydrophobicContact CG2-CE1 4.11Å; T72-F106 HydrophobicContact CG2-CZ 3.95Å
73L98.4Very high98Very high0 Ų046.4 Ų46.40%027%0.272CS..Iπ-helixtrans-66.2-47.6-173.9-64.6172.7000111.5H68 I69 A76 L77 M94 M97 F106 I111H68-L73 PolarHBondContact O-N 2.93Å; I69-L73 HydrophobicContact CG1-CD1 4.27Å; L73-A76 PolarHBondContact O-N 3.37Å; L73-L77 VanDerWaalsContact O-CG 3.29Å; L73-L77 WeakPolarHBondContact O-CG 3.49Å; L73-L77 PolarHBondContact O-N 3.2Å; L73-M94 HydrophobicContact CD2-CB 4.28Å; L73-M94 HydrophobicContact CD2-CG 4.15Å; L73-M97 HydrophobicContact CD2-CE 4.09Å; L73-M97 HydrophobicContact CD2-SD 4.38Å; L73-F106 HydrophobicContact CD1-CD2 4.41Å; L73-F106 HydrophobicContact CD2-CD2 3.74Å; L73-F106 HydrophobicContact CD2-CE2 3.64Å; L73-F106 HydrophobicContact CD2-CZ 4.45Å; L73-F106 HydrophobicContact CG-CD2 4.29Å; L73-F106 HydrophobicContact CG-CE2 4.43Å; L73-I111 HydrophobicContact CD1-CG1 4.37Å
74G98.3Very high97.9Very high3 Ų343.3 Ų43.33%0.03125%0.253CS..Hα-helixtrans-53-61.5178.900000112I69 A76 L77 L78I69-G74 WeakPolarHBondContact O-CA 3.39Å; I69-G74 PolarHBondContact O-N 3Å; G74-A76 VanDerWaalsContact C-N 3.28Å; G74-A76 PolarHBondContact O-N 3.08Å; G74-L77 PolarHBondContact O-N 3.18Å; G74-L78 WeakPolarHBondContact O-CD1 3.46Å; G74-L78 PolarHBondContact O-N 3.33Å
75P98.3Very high97.9Very high67 Ų6741 Ų4144%0.43525%0.246SC..Hα-helixtrans-53.4-42178.3-28.835.7000113.8N70 Q79N70-P75 WeakPolarHBondContact O-CD 3.44Å; P75-Q79 WeakPolarHBondContact O-CB 3.42Å; P75-Q79 PolarHBondContact O-N 2.68Å
76A98Very high97.9Very high27 Ų2746 Ų4622%0.22327%0.269CS..Hα-helixtrans-65.7-44.2179.700000112.6T72 L73 G74 Q79 S80 M97T72-A76 WeakPolarHBondContact O-CB 3.33Å; T72-A76 PolarHBondContact O-N 2.74Å; L73-A76 PolarHBondContact O-N 3.37Å; G74-A76 VanDerWaalsContact C-N 3.28Å; G74-A76 PolarHBondContact O-N 3.08Å; A76-Q79 PolarHBondContact O-N 2.89Å; A76-S80 PolarHBondContact O-N 3.39Å; A76-M97 HydrophobicContact CB-CE 3.44Å; A76-M97 VanDerWaalsContact CB-CE 3.44Å; A76-M97 HydrophobicContact CB-SD 3.71Å
77L97.9Very high97.9Very high1 Ų145.3 Ų45.31%0.00526%0.264CS..Hα-helixtrans-68.5-38.2179.3-65.1175.9000112I3 I6 L73 G74 S80 L90 T93 M94 V114 I118I3-L77 HydrophobicContact CD1-CB 4.12Å; I6-L77 HydrophobicContact CD1-CB 4.2Å; I6-L77 HydrophobicContact CD1-CD1 3.96Å; L73-L77 VanDerWaalsContact O-CG 3.29Å; L73-L77 WeakPolarHBondContact O-CG 3.49Å; L73-L77 PolarHBondContact O-N 3.2Å; G74-L77 PolarHBondContact O-N 3.18Å; L77-S80 PolarHBondContact O-N 2.93Å; L77-S80 PolarHBondContact O-OG 3.31Å; L77-L90 HydrophobicContact CD2-CD2 3.8Å; L77-T93 HydrophobicContact CD2-CG2 4.18Å; L77-M94 HydrophobicContact CD1-CG 4.06Å; L77-M94 HydrophobicContact CD1-SD 3.89Å; L77-M94 HydrophobicContact CD2-CG 4.08Å; L77-M94 HydrophobicContact CG-CG 4.47Å; L77-V114 HydrophobicContact CD1-CG1 3.48Å; L77-V114 VanDerWaalsContact CD1-CG1 3.48Å; L77-I118 HydrophobicContact CD1-CD1 4.36Å
78L96.9Very high97.9Very high57 Ų5748.3 Ų48.330%0.29827%0.272SS..Hα-helixtrans-59.1-48.7171.2-89.270.6000111I3 V4 I6 G74 S80 G81I3-L78 HydrophobicContact CB-CD1 4.39Å; I3-L78 HydrophobicContact CG2-CD1 3.58Å; I3-L78 HydrophobicContact CG2-CG 4.21Å; V4-L78 WeakPolarHBondContact O-CD2 3.33Å; I6-L78 HydrophobicContact CB-CD1 4.35Å; I6-L78 HydrophobicContact CD1-CD1 4.07Å; I6-L78 HydrophobicContact CG1-CD1 4.01Å; G74-L78 WeakPolarHBondContact O-CD1 3.46Å; G74-L78 PolarHBondContact O-N 3.33Å; L78-S80 VanDerWaalsContact C-N 3.28Å; L78-S80 PolarHBondContact O-N 3.38Å; L78-G81 PolarHBondContact O-N 2.98Å
79Q96.8Very high97.8Very high175 Ų17551.3 Ų51.382%0.81829%0.285SS*.Hα-helixtrans-66-30.3-179-172176.226.300112.8P75 A76 G81P75-Q79 WeakPolarHBondContact O-CB 3.42Å; P75-Q79 PolarHBondContact O-N 2.68Å; A76-Q79 PolarHBondContact O-N 2.89Å; Q79-G81 PolarHBondContact O-N 3.33Å
80S95.5Very high97.8Very high48 Ų4851.3 Ų51.334%0.33629%0.285SS..Hα-helixtrans-59.8-26.417980.90000113.2A76 L77 L78 V82A76-S80 PolarHBondContact O-N 3.39Å; L77-S80 PolarHBondContact O-N 2.93Å; L77-S80 PolarHBondContact O-OG 3.31Å; L78-S80 VanDerWaalsContact C-N 3.28Å; L78-S80 PolarHBondContact O-N 3.38Å; S80-V82 PolarHBondContact O-N 2.88Å; S80-V82 VanDerWaalsContact O-N 3.08Å; S80-V82 PolarHBondContact OG-N 3.38Å
81G94.9Very high97.8Very high49 Ų4948.9 Ų48.951%0.50527%0.271SS..  trans63.19.2-175.600000114.3L78 Q79L78-G81 PolarHBondContact O-N 2.98Å; Q79-G81 PolarHBondContact O-N 3.33Å
82V96.8Very high97.8Very high14 Ų1445.5 Ų45.59%0.08525%0.253CS..  trans-69.5139.2-178.31760000109.8S80 E86 K89 L90S80-V82 PolarHBondContact O-N 2.88Å; S80-V82 VanDerWaalsContact O-N 3.08Å; S80-V82 PolarHBondContact OG-N 3.38Å; V82-E86 HydrophobicContact CG1-CB 3.69Å; V82-E86 HydrophobicContact CG1-CG 4.1Å; V82-K89 HydrophobicContact CG1-CB 4.36Å; V82-K89 HydrophobicContact CG1-CD 3.88Å; V82-K89 HydrophobicContact CG1-CG 4.21Å; V82-K89 HydrophobicContact CG2-CD 4.02Å; V82-K89 HydrophobicContact CG2-CG 4.5Å; V82-L90 HydrophobicContact CB-CD2 3.82Å; V82-L90 HydrophobicContact CB-CG 4.32Å; V82-L90 HydrophobicContact CG1-CD1 4.31Å; V82-L90 HydrophobicContact CG1-CD2 3.84Å; V82-L90 HydrophobicContact CG1-CG 3.76Å
83S97.6Very high97.8Very high31 Ų3144.7 Ų44.722%0.21725%0.248CC..BIsolated β-bridgetrans-70142.9178.1-174.10000110.8M1 L85 E86 L90M1-S83 PolarHBondContact N-OG 3.08Å; M1-S83 WeakPolarHBondContact O-CA 3.34Å; S83-L85 PolarHBondContact O-N 2.73Å; S83-E86 WeakPolarHBondContact O-CB 3.28Å; S83-E86 PolarHBondContact O-N 3.47Å; S83-L90 WeakPolarHBondContact O-CD1 3.39Å
84V98Very high97.8Very high0 Ų044.7 Ų44.70%025%0.248CC..THydrogen-bonded Turntrans-61.5-11.4173.3-650000114.2M1 I3 L24 T26 E86 I118 A121 E125M1-V84 PolarHBondContact O-N 3Å; I3-V84 HydrophobicContact CD1-CG1 4.33Å; I3-V84 HydrophobicContact CG1-CG1 3.62Å; L24-V84 HydrophobicContact CD2-CG1 4.2Å; T26-V84 HydrophobicContact CG2-CG1 4.03Å; V84-E86 VanDerWaalsContact C-N 3.27Å; V84-I118 HydrophobicContact CB-CG2 4.39Å; V84-A121 HydrophobicContact CB-CB 4.08Å; V84-A121 HydrophobicContact CG1-CB 4.02Å; V84-A121 HydrophobicContact CG2-CB 4.13Å; V84-E125 HydrophobicContact CG2-CB 3.97Å; V84-E125 HydrophobicContact CG2-CG 4.29Å
85L97.9Very high97.8Very high58 Ų5846.3 Ų46.330%0.30426%0.256SS..THydrogen-bonded Turntrans-72.3-21.8171.9-61.5-179.2000113.1S83 Q87 G122 E125 K126S83-L85 PolarHBondContact O-N 2.73Å; L85-Q87 VanDerWaalsContact C-N 3.28Å; L85-Q87 PolarHBondContact O-N 3.21Å; L85-Q87 VanDerWaalsContact O-N 3.16Å; L85-G122 WeakPolarHBondContact CD2-O 3.39Å; L85-E125 HydrophobicContact CD1-CG 4.07Å; L85-E125 HydrophobicContact CD2-CB 3.87Å; L85-E125 HydrophobicContact CD2-CG 3.79Å; L85-E125 HydrophobicContact CG-CB 4.39Å; L85-E125 HydrophobicContact CG-CG 3.83Å; L85-K126 HydrophobicContact CD2-CD 4.36Å; L85-K126 HydrophobicContact CD2-CG 3.48Å; L85-K126 VanDerWaalsContact CD2-CG 3.48Å
86E98.3Very high97.9Very high104 Ų10450.2 Ų50.249%0.48627%0.268SS..  trans-9159.1-176-56.6-69138.400110.2V82 S83 V84 E88 K89 L90V82-E86 HydrophobicContact CG1-CB 3.69Å; V82-E86 HydrophobicContact CG1-CG 4.1Å; S83-E86 WeakPolarHBondContact O-CB 3.28Å; S83-E86 PolarHBondContact O-N 3.47Å; V84-E86 VanDerWaalsContact C-N 3.27Å; E86-E88 VanDerWaalsContact C-N 3.32Å; E86-E88 PolarHBondContact O-N 2.89Å; E86-K89 HydrophobicContact CB-CB 3.89Å; E86-K89 PolarHBondContact O-N 3.34Å; E86-K89 VanDerWaalsContact O-N 3.08Å; E86-L90 PolarHBondContact O-N 3.48Å
87Q98.8Very high97.9Very high3 Ų351.4 Ų51.41%0.01427%0.27CS..Hα-helixtrans-49.8-51.4-176-177.470.146.200111.8L85 K89 L90 D91 S115 C119 L137 V350L85-Q87 VanDerWaalsContact C-N 3.28Å; L85-Q87 PolarHBondContact O-N 3.21Å; L85-Q87 VanDerWaalsContact O-N 3.16Å; Q87-K89 VanDerWaalsContact C-N 3.32Å; Q87-K89 PolarHBondContact O-N 3.38Å; Q87-L90 PolarHBondContact O-N 3.15Å; Q87-D91 VanDerWaalsContact NE2-CG 3.35Å; Q87-D91 PolarHBondContact NE2-OD1 3Å; Q87-D91 VanDerWaalsContact NE2-OD1 3.17Å; Q87-D91 PolarHBondContact NE2-OD2 3.35Å; Q87-D91 WeakPolarHBondContact O-CB 3.4Å; Q87-D91 PolarHBondContact O-N 2.84Å; Q87-S115 PolarHBondContact NE2-O 2.85Å; Q87-S115 VanDerWaalsContact NE2-O 3.09Å; Q87-S115 PolarHBondContact NE2-OG 3.39Å; Q87-C119 VanDerWaalsContact OE1-CB 3.24Å; Q87-C119 VanDerWaalsContact OE1-N 3.14Å; Q87-L137 HydrophobicContact CB-CD1 4Å; Q87-L137 HydrophobicContact CB-CD2 3.88Å; Q87-L137 HydrophobicContact CG-CD1 4.05Å; Q87-V350 HydrophobicContact CG-CB 4.5Å; Q87-V350 HydrophobicContact CG-CG1 4.42Å
88E98.7Very high97.9Very high99 Ų9951.5 Ų51.546%0.46327%0.27SS..Hα-helixtrans-60.8-40.6-179.4173.4163.7-14900112.3E86 N92 T351 K355E86-E88 VanDerWaalsContact C-N 3.32Å; E86-E88 PolarHBondContact O-N 2.89Å; E88-N92 WeakPolarHBondContact CG-ND2 3.41Å; E88-N92 VanDerWaalsContact O-CB 3.23Å; E88-N92 WeakPolarHBondContact O-CB 3.42Å; E88-N92 PolarHBondContact O-N 3.29Å; E88-N92 PolarHBondContact O-ND2 2.9Å; E88-T351 WeakPolarHBondContact CA-OG1 3.26Å; E88-T351 HydrophobicContact CB-CG2 4.02Å; E88-T351 HydrophobicContact CG-CG2 3.96Å; E88-K355 WeakPolarHBondContact OE1-CE 3.46Å; E88-K355 IonicContact OE1-NZ 3.65Å; E88-K355 PolarHBondContact OE1-NZ 2.89Å
89K98.5Very high98Very high115 Ų11551.8 Ų51.850%0.529%0.287SS..Hα-helixtrans-67.1-42.9179.9-172.1173.7178.3179.10111.7V82 E86 Q87 T93V82-K89 HydrophobicContact CG1-CB 4.36Å; V82-K89 HydrophobicContact CG1-CD 3.88Å; V82-K89 HydrophobicContact CG1-CG 4.21Å; V82-K89 HydrophobicContact CG2-CD 4.02Å; V82-K89 HydrophobicContact CG2-CG 4.5Å; E86-K89 HydrophobicContact CB-CB 3.89Å; E86-K89 PolarHBondContact O-N 3.34Å; E86-K89 VanDerWaalsContact O-N 3.08Å; Q87-K89 VanDerWaalsContact C-N 3.32Å; Q87-K89 PolarHBondContact O-N 3.38Å; K89-T93 WeakPolarHBondContact O-CB 3.43Å; K89-T93 PolarHBondContact O-N 2.91Å; K89-T93 PolarHBondContact O-OG1 2.75Å
90L98.6Very high98Very high0 Ų045.6 Ų45.60%026%0.262CS..Hα-helixtrans-69.1-43178.8-70.5163.9000111.3I3 L77 V82 S83 E86 Q87 T93 M94 I118I3-L90 HydrophobicContact CD1-CD2 4.23Å; L77-L90 HydrophobicContact CD2-CD2 3.8Å; V82-L90 HydrophobicContact CB-CD2 3.82Å; V82-L90 HydrophobicContact CB-CG 4.32Å; V82-L90 HydrophobicContact CG1-CD1 4.31Å; V82-L90 HydrophobicContact CG1-CD2 3.84Å; V82-L90 HydrophobicContact CG1-CG 3.76Å; S83-L90 WeakPolarHBondContact O-CD1 3.39Å; E86-L90 PolarHBondContact O-N 3.48Å; Q87-L90 PolarHBondContact O-N 3.15Å; L90-T93 WeakPolarHBondContact O-CB 3.37Å; L90-T93 PolarHBondContact O-N 3.11Å; L90-M94 WeakPolarHBondContact O-CG 3.07Å; L90-M94 PolarHBondContact O-N 2.9Å; L90-M94 VanDerWaalsContact O-N 3.12Å; L90-I118 HydrophobicContact CB-CD1 3.83Å; L90-I118 HydrophobicContact CD1-CD1 4Å; L90-I118 HydrophobicContact CD1-CG1 4.24Å; L90-I118 HydrophobicContact CD1-CG2 3.5Å; L90-I118 HydrophobicContact CG-CD1 4.39Å
91D98.8Very high98Very high0 Ų049.6 Ų49.60%028%0.279CS..Hα-helixtrans-60.9-49.1174.9-75.9-19.3000111.2Q87 T93 M94 I95 S115 T351Q87-D91 VanDerWaalsContact NE2-CG 3.35Å; Q87-D91 PolarHBondContact NE2-OD1 3Å; Q87-D91 VanDerWaalsContact NE2-OD1 3.17Å; Q87-D91 PolarHBondContact NE2-OD2 3.35Å; Q87-D91 WeakPolarHBondContact O-CB 3.4Å; Q87-D91 PolarHBondContact O-N 2.84Å; D91-T93 VanDerWaalsContact C-N 3.27Å; D91-T93 PolarHBondContact O-N 3.39Å; D91-M94 PolarHBondContact O-N 3.38Å; D91-M94 VanDerWaalsContact O-N 3.12Å; D91-M94 WeakPolarHBondContact OD1-CE 3.01Å; D91-I95 WeakPolarHBondContact O-CD1 3.25Å; D91-I95 VanDerWaalsContact O-CG1 3.25Å; D91-I95 WeakPolarHBondContact O-CG1 3.27Å; D91-I95 PolarHBondContact O-N 2.97Å; D91-S115 VanDerWaalsContact CG-OG 3.22Å; D91-S115 WeakPolarHBondContact OD1-CB 3.34Å; D91-S115 PolarHBondContact OD1-OG 3.15Å; D91-S115 PolarHBondContact OD2-OG 3.14Å; D91-T351 WeakPolarHBondContact OD2-CB 3.37Å; D91-T351 PolarHBondContact OD2-N 3Å; D91-T351 PolarHBondContact OD2-OG1 2.88Å
92N98.6Very high97.9Very high50 Ų5050.5 Ų50.527%0.26727%0.272SS..Hα-helixtrans-60.2-38.1177.5-70.4-18.3000111.7E88 M94 I95 E96E88-N92 WeakPolarHBondContact CG-ND2 3.41Å; E88-N92 VanDerWaalsContact O-CB 3.23Å; E88-N92 WeakPolarHBondContact O-CB 3.42Å; E88-N92 PolarHBondContact O-N 3.29Å; E88-N92 PolarHBondContact O-ND2 2.9Å; N92-M94 PolarHBondContact O-N 3.02Å; N92-I95 PolarHBondContact O-N 3.15Å; N92-E96 WeakPolarHBondContact O-CB 3.45Å; N92-E96 VanDerWaalsContact O-CG 3.24Å; N92-E96 WeakPolarHBondContact O-CG 3.32Å; N92-E96 PolarHBondContact O-N 2.97Å
93T98.5Very high98Very high37 Ų3750.1 Ų50.123%0.22727%0.27CS..Hα-helixtrans-59.5-46.6175-58.20000111.1L77 K89 L90 D91 E96 M97L77-T93 HydrophobicContact CD2-CG2 4.18Å; K89-T93 WeakPolarHBondContact O-CB 3.43Å; K89-T93 PolarHBondContact O-N 2.91Å; K89-T93 PolarHBondContact O-OG1 2.75Å; L90-T93 WeakPolarHBondContact O-CB 3.37Å; L90-T93 PolarHBondContact O-N 3.11Å; D91-T93 VanDerWaalsContact C-N 3.27Å; D91-T93 PolarHBondContact O-N 3.39Å; T93-E96 PolarHBondContact O-N 3.28Å; T93-M97 HydrophobicContact CG2-SD 4.06Å; T93-M97 WeakPolarHBondContact O-CB 3.49Å; T93-M97 WeakPolarHBondContact O-CG 3.46Å; T93-M97 PolarHBondContact O-N 2.88Å
94M98.8Very high98Very high0 Ų050.9 Ų50.90%028%0.275CS..Hα-helixtrans-65.8-40.2178.3-64.3-173.1-73.300112.4L73 L77 L90 D91 N92 M97 D98 I111 V114 I118L73-M94 HydrophobicContact CD2-CB 4.28Å; L73-M94 HydrophobicContact CD2-CG 4.15Å; L77-M94 HydrophobicContact CD1-CG 4.06Å; L77-M94 HydrophobicContact CD1-SD 3.89Å; L77-M94 HydrophobicContact CD2-CG 4.08Å; L77-M94 HydrophobicContact CG-CG 4.47Å; L90-M94 WeakPolarHBondContact O-CG 3.07Å; L90-M94 PolarHBondContact O-N 2.9Å; L90-M94 VanDerWaalsContact O-N 3.12Å; D91-M94 PolarHBondContact O-N 3.38Å; D91-M94 VanDerWaalsContact O-N 3.12Å; D91-M94 WeakPolarHBondContact OD1-CE 3.01Å; N92-M94 PolarHBondContact O-N 3.02Å; M94-M97 PolarHBondContact O-N 2.79Å; M94-D98 PolarHBondContact O-N 2.97Å; M94-I111 HydrophobicContact CB-CG1 4.36Å; M94-I111 HydrophobicContact CB-CG2 3.9Å; M94-I111 HydrophobicContact CE-CG2 3.98Å; M94-I111 HydrophobicContact SD-CG2 4.19Å; M94-V114 HydrophobicContact CE-CB 4.38Å; M94-V114 HydrophobicContact CE-CG1 4.27Å; M94-V114 HydrophobicContact SD-CB 3.7Å; M94-V114 HydrophobicContact SD-CG1 3.59Å; M94-V114 VanDerWaalsContact SD-CG1 3.59Å; M94-I118 HydrophobicContact CE-CD1 4.22Å
95I98.6Very high98Very high37 Ų3756.3 Ų56.319%0.1930%0.299CS..Hα-helixtrans-64.2-45.3177.8-66.7161.8000110.7D91 N92 D98 G99 E352D91-I95 WeakPolarHBondContact O-CD1 3.25Å; D91-I95 VanDerWaalsContact O-CG1 3.25Å; D91-I95 WeakPolarHBondContact O-CG1 3.27Å; D91-I95 PolarHBondContact O-N 2.97Å; N92-I95 PolarHBondContact O-N 3.15Å; I95-D98 PolarHBondContact O-N 2.83Å; I95-G99 PolarHBondContact O-N 3.36Å; I95-E352 HydrophobicContact CD1-CG 4.15Å; I95-E352 VanDerWaalsContact CD1-OE2 3.26Å; I95-E352 WeakPolarHBondContact CD1-OE2 3.48Å
96E98.4Very high98Very high150 Ų15054 Ų5470%0.70129%0.286SS*.Hα-helixtrans-65.4-38.6177.1-73.6171.8-167.400112.1N92 T93 D98 G99N92-E96 WeakPolarHBondContact O-CB 3.45Å; N92-E96 VanDerWaalsContact O-CG 3.24Å; N92-E96 WeakPolarHBondContact O-CG 3.32Å; N92-E96 PolarHBondContact O-N 2.97Å; T93-E96 PolarHBondContact O-N 3.28Å; E96-D98 VanDerWaalsContact C-N 3.33Å; E96-G99 PolarHBondContact O-N 3.32Å
97M98.5Very high98Very high51 Ų5149 Ų4925%0.25126%0.263SS..Hα-helixtrans-66.3-35.2175.8-74175.664.400112.7T72 L73 A76 T93 M94 K105 F106T72-M97 HydrophobicContact CG2-CE 4.01Å; L73-M97 HydrophobicContact CD2-CE 4.09Å; L73-M97 HydrophobicContact CD2-SD 4.38Å; A76-M97 HydrophobicContact CB-CE 3.44Å; A76-M97 VanDerWaalsContact CB-CE 3.44Å; A76-M97 HydrophobicContact CB-SD 3.71Å; T93-M97 HydrophobicContact CG2-SD 4.06Å; T93-M97 WeakPolarHBondContact O-CB 3.49Å; T93-M97 WeakPolarHBondContact O-CG 3.46Å; T93-M97 PolarHBondContact O-N 2.88Å; M94-M97 PolarHBondContact O-N 2.79Å; M97-K105 PolarHBondContact O-NZ 3.47Å; M97-F106 VanDerWaalsContact C-CE2 3.41Å; M97-F106 HydrophobicContact CB-CE2 3.73Å; M97-F106 HydrophobicContact CB-CZ 4.28Å; M97-F106 WeakPolarHBondContact O-CE2 3.16Å
98D98.6Very high98Very high3 Ų349 Ų492%0.01626%0.263CS..Hα-helixtrans-66.2-51.9171.2-178.5-79.4000109.9M94 I95 E96 T100 K103 K105 F106 I111M94-D98 PolarHBondContact O-N 2.97Å; I95-D98 PolarHBondContact O-N 2.83Å; E96-D98 VanDerWaalsContact C-N 3.33Å; D98-T100 VanDerWaalsContact C-N 3.26Å; D98-T100 PolarHBondContact O-N 2.86Å; D98-T100 WeakPolarHBondContact OD1-CB 3.47Å; D98-T100 PolarHBondContact OD1-N 3.1Å; D98-T100 PolarHBondContact OD1-OG1 2.82Å; D98-K103 VanDerWaalsContact OD1-CA 3.3Å; D98-K103 WeakPolarHBondContact OD1-CA 3.45Å; D98-K103 VanDerWaalsContact OD2-C 3.27Å; D98-K105 WeakPolarHBondContact O-CD 3.44Å; D98-K105 WeakPolarHBondContact OD2-CB 3.32Å; D98-K105 PolarHBondContact OD2-N 3.03Å; D98-F106 HydrophobicContact CB-CD2 3.67Å; D98-F106 HydrophobicContact CB-CE2 4.09Å; D98-F106 HydrophobicContact CB-CG 4.43Å; D98-F106 VanDerWaalsContact N-CE2 3.34Å; D98-F106 PolarHBondContact OD2-N 2.8Å; D98-I111 HydrophobicContact CB-CD1 3.91Å
99G98.1Very high98Very high63 Ų6344.4 Ų44.465%0.64924%0.242SC*.  trans72.513.1172.500000114.8I95 E96I95-G99 PolarHBondContact O-N 3.36Å; E96-G99 PolarHBondContact O-N 3.32Å
100T98.1Very high98Very high46 Ų4639 Ų3928%0.28222%0.218SC..SBendtrans-117150.3176.875.50000111.8D98 N102 K103 S104 K105D98-T100 VanDerWaalsContact C-N 3.26Å; D98-T100 PolarHBondContact O-N 2.86Å; D98-T100 WeakPolarHBondContact OD1-CB 3.47Å; D98-T100 PolarHBondContact OD1-N 3.1Å; D98-T100 PolarHBondContact OD1-OG1 2.82Å; T100-N102 PolarHBondContact O-N 3Å; T100-K103 PolarHBondContact O-N 3.37Å; T100-K103 WeakPolarHBondContact OG1-CA 3.4Å; T100-K103 PolarHBondContact OG1-N 3.09Å; T100-K103 VanDerWaalsContact OG1-N 3.09Å; T100-S104 PolarHBondContact OG1-N 3.47Å; T100-S104 PolarHBondContact OG1-OG 2.89Å; T100-K105 HydrophobicContact CG2-CB 4.02Å
101D94.1Very high98Very high132 Ų13239 Ų3971%0.70622%0.218SC*.THydrogen-bonded Turntrans-61.1-30.5-178.1-86.525.1000113.3R326D101-R326 IonicContact OD2-CZ 3.35Å; D101-R326 IonicContact OD2-NH1 2.81Å; D101-R326 PolarHBondContact OD2-NH1 3.1Å; D101-R326 IonicContact OD2-NH2 2.78Å
102N94.5Very high98Very high68 Ų6839 Ų3936%0.36422%0.218SC..THydrogen-bonded Turntrans-11719-17569.6-21.8000113.6A46 L47 T100 S104A46-N102 WeakPolarHBondContact CA-O 3.44Å; L47-N102 PolarHBondContact N-O 2.91Å; T100-N102 PolarHBondContact O-N 3Å; N102-S104 PolarHBondContact O-N 3.48Å; N102-S104 WeakPolarHBondContact OD1-CB 3.46Å; N102-S104 PolarHBondContact OD1-N 3.05Å; N102-S104 PolarHBondContact OD1-OG 3.23Å
103K98.3Very high98Very high6 Ų636.6 Ų36.63%0.02621%0.205CC..  trans58.631.4179.3-58.1174171.968.50113.4A46 D98 T100 K105 G107 A108 I111 I347 E352A46-K103 HydrophobicContact CB-CD 4.34Å; D98-K103 VanDerWaalsContact OD1-CA 3.3Å; D98-K103 WeakPolarHBondContact OD1-CA 3.45Å; D98-K103 VanDerWaalsContact OD2-C 3.27Å; T100-K103 PolarHBondContact O-N 3.37Å; T100-K103 WeakPolarHBondContact OG1-CA 3.4Å; T100-K103 PolarHBondContact OG1-N 3.09Å; T100-K103 VanDerWaalsContact OG1-N 3.09Å; K103-K105 VanDerWaalsContact C-N 3.35Å; K103-K105 PolarHBondContact O-N 3.49Å; K103-G107 CarbonylContact O-C 3.46Å; K103-G107 WeakPolarHBondContact O-CA 3.05Å; K103-G107 PolarHBondContact O-N 2.91Å; K103-A108 HydrophobicContact CB-CB 4.19Å; K103-A108 HydrophobicContact CD-CB 4.13Å; K103-I111 HydrophobicContact CB-CD1 4.11Å; K103-I111 HydrophobicContact CD-CD1 3.96Å; K103-I111 HydrophobicContact CG-CD1 3.92Å; K103-I347 WeakPolarHBondContact CD-O 3.48Å; K103-I347 WeakPolarHBondContact CE-O 3.26Å; K103-I347 PolarHBondContact NZ-O 2.83Å; K103-E352 WeakPolarHBondContact CE-OE2 3.35Å; K103-E352 IonicContact NZ-OE1 2.54Å; K103-E352 PolarHBondContact NZ-OE1 2.81Å; K103-E352 IonicContact NZ-OE2 2.95Å; K103-E352 PolarHBondContact NZ-OE2 3.3Å
104S97.5Very high98.1Very high47 Ų4734.8 Ų34.833%0.32919%0.194SC..THydrogen-bonded Turntrans-77.5-14.9-172.851.80000114.8T100 N102T100-S104 PolarHBondContact OG1-N 3.47Å; T100-S104 PolarHBondContact OG1-OG 2.89Å; N102-S104 PolarHBondContact O-N 3.48Å; N102-S104 WeakPolarHBondContact OD1-CB 3.46Å; N102-S104 PolarHBondContact OD1-N 3.05Å; N102-S104 PolarHBondContact OD1-OG 3.23Å
105K98.1Very high98.1Very high114 Ų11434.8 Ų34.850%0.49619%0.194SC..THydrogen-bonded Turntrans-75.4-46.7178.2-179.5-173.2175.4-172.20111.4H68 M97 D98 T100 K103H68-K105 PolarHBondContact NE2-O 3.46Å; M97-K105 PolarHBondContact O-NZ 3.47Å; D98-K105 WeakPolarHBondContact O-CD 3.44Å; D98-K105 WeakPolarHBondContact OD2-CB 3.32Å; D98-K105 PolarHBondContact OD2-N 3.03Å; T100-K105 HydrophobicContact CG2-CB 4.02Å; K103-K105 VanDerWaalsContact C-N 3.35Å; K103-K105 PolarHBondContact O-N 3.49Å
106F98.1Very high98.1Very high8 Ų833.2 Ų33.24%0.03519%0.186CC..THydrogen-bonded Turntrans-102-20.6179.3-61-35.7000113.5L49 H68 T72 L73 M97 D98 S110L49-F106 WeakPolarHBondContact CD2-O 3.33Å; H68-F106 HydrophobicContact CB-CB 4.34Å; H68-F106 HydrophobicContact CB-CD1 4.14Å; H68-F106 PolarHBondContact CD2-O 3.1Å; H68-F106 AromaticContact CG-CD1 3.85Å; H68-F106 AromaticContact ND1-CD1 3.73Å; T72-F106 HydrophobicContact CG2-CE1 4.11Å; T72-F106 HydrophobicContact CG2-CZ 3.95Å; L73-F106 HydrophobicContact CD1-CD2 4.41Å; L73-F106 HydrophobicContact CD2-CD2 3.74Å; L73-F106 HydrophobicContact CD2-CE2 3.64Å; L73-F106 HydrophobicContact CD2-CZ 4.45Å; L73-F106 HydrophobicContact CG-CD2 4.29Å; L73-F106 HydrophobicContact CG-CE2 4.43Å; M97-F106 VanDerWaalsContact C-CE2 3.41Å; M97-F106 HydrophobicContact CB-CE2 3.73Å; M97-F106 HydrophobicContact CB-CZ 4.28Å; M97-F106 WeakPolarHBondContact O-CE2 3.16Å; D98-F106 HydrophobicContact CB-CD2 3.67Å; D98-F106 HydrophobicContact CB-CE2 4.09Å; D98-F106 HydrophobicContact CB-CG 4.43Å; D98-F106 VanDerWaalsContact N-CE2 3.34Å; D98-F106 PolarHBondContact OD2-N 2.8Å; F106-S110 VanDerWaalsContact O-CB 3.29Å; F106-S110 WeakPolarHBondContact O-CB 3.33Å; F106-S110 PolarHBondContact O-OG 3.38Å
107G98.3Very high98.1Very high0 Ų026.1 Ų26.10%015%0.153CC..  trans86.1134.6-166.600000111.5L47 K103 N109 S110 I111L47-G107 CarbonylContact O-C 3.57Å; L47-G107 WeakPolarHBondContact O-CA 3.27Å; K103-G107 CarbonylContact O-C 3.46Å; K103-G107 WeakPolarHBondContact O-CA 3.05Å; K103-G107 PolarHBondContact O-N 2.91Å; G107-N109 PolarHBondContact O-N 3.45Å; G107-S110 WeakPolarHBondContact O-CB 3.44Å; G107-S110 PolarHBondContact O-N 2.57Å; G107-I111 PolarHBondContact O-N 3.17Å
108A98.4Very high98.1Very high2 Ų223.7 Ų23.72%0.01714%0.141CC..Hα-helixtrans-57.8-33.117300000111.8A46 L47 K103 S110 I111 L112A46-A108 HydrophobicContact CB-CB 3.58Å; L47-A108 WeakPolarHBondContact O-CB 3.34Å; L47-A108 PolarHBondContact O-N 3.23Å; K103-A108 HydrophobicContact CB-CB 4.19Å; K103-A108 HydrophobicContact CD-CB 4.13Å; A108-S110 VanDerWaalsContact C-N 3.27Å; A108-S110 PolarHBondContact O-N 3.21Å; A108-I111 PolarHBondContact O-N 2.94Å; A108-L112 WeakPolarHBondContact O-CB 3.3Å; A108-L112 PolarHBondContact O-N 3.45Å
109N98.6Very high98.1Very high4 Ų423.5 Ų23.52%0.02114%0.14CC..Hα-helixtrans-65.6-26174.256.2-24.6000113.6V20 V35 E48 L49 G107V20-N109 HydrophobicContact CG2-CB 4.32Å; V35-N109 HydrophobicContact CG1-CB 3.87Å; V35-N109 WeakPolarHBondContact CG2-O 3.46Å; E48-N109 HydrophobicContact CG-CB 4.29Å; L49-N109 PolarHBondContact N-OD1 3.18Å; L49-N109 PolarHBondContact O-ND2 2.94Å; G107-N109 PolarHBondContact O-N 3.45Å
110S98.7Very high98.2Very high0 Ų022.3 Ų22.30%012%0.117CC..Hα-helixtrans-73.4-50.2172.9-58.60000111.5A65 I69 F106 G107 A108A65-S110 WeakPolarHBondContact CA-OG 3.39Å; A65-S110 VanDerWaalsContact CB-OG 3.26Å; A65-S110 WeakPolarHBondContact CB-OG 3.37Å; A65-S110 PolarHBondContact O-OG 3.09Å; I69-S110 WeakPolarHBondContact CD1-O 3.34Å; F106-S110 VanDerWaalsContact O-CB 3.29Å; F106-S110 WeakPolarHBondContact O-CB 3.33Å; F106-S110 PolarHBondContact O-OG 3.38Å; G107-S110 WeakPolarHBondContact O-CB 3.44Å; G107-S110 PolarHBondContact O-N 2.57Å; A108-S110 VanDerWaalsContact C-N 3.27Å; A108-S110 PolarHBondContact O-N 3.21Å
111I98.9Very high98.2Very high0 Ų020.1 Ų20.10%010%0.104CC..Hα-helixtrans-66.8-45-176.4-62.4176.5000110.4L73 M94 D98 K103 G107 A108 G113 V114 S115 G348L73-I111 HydrophobicContact CD1-CG1 4.37Å; M94-I111 HydrophobicContact CB-CG1 4.36Å; M94-I111 HydrophobicContact CB-CG2 3.9Å; M94-I111 HydrophobicContact CE-CG2 3.98Å; M94-I111 HydrophobicContact SD-CG2 4.19Å; D98-I111 HydrophobicContact CB-CD1 3.91Å; K103-I111 HydrophobicContact CB-CD1 4.11Å; K103-I111 HydrophobicContact CD-CD1 3.96Å; K103-I111 HydrophobicContact CG-CD1 3.92Å; G107-I111 PolarHBondContact O-N 3.17Å; A108-I111 PolarHBondContact O-N 2.94Å; I111-G113 PolarHBondContact O-N 3Å; I111-V114 PolarHBondContact O-N 2.96Å; I111-S115 WeakPolarHBondContact O-CB 3.45Å; I111-S115 PolarHBondContact O-N 2.95Å; I111-G348 WeakPolarHBondContact CG2-O 3.48Å
112L98.9Very high98.4Very high0 Ų013.9 Ų13.90%07%0.07CC..Hα-helixtrans-63.4-44.7-176.4-175.868.6000112.1V35 A108 V114 S115 L116 V344 N345 G348V35-L112 HydrophobicContact CG1-CD2 3.97Å; V35-L112 HydrophobicContact CG2-CB 4.32Å; V35-L112 HydrophobicContact CG2-CD2 4.33Å; V35-L112 HydrophobicContact CG2-CG 4.44Å; A108-L112 WeakPolarHBondContact O-CB 3.3Å; A108-L112 PolarHBondContact O-N 3.45Å; L112-V114 PolarHBondContact O-N 3.25Å; L112-S115 WeakPolarHBondContact O-CB 3.48Å; L112-S115 PolarHBondContact O-N 3.37Å; L112-S115 VanDerWaalsContact O-N 3.12Å; L112-L116 HydrophobicContact CD1-CD1 4.24Å; L112-L116 HydrophobicContact CD1-CD2 4.26Å; L112-L116 HydrophobicContact CD1-CG 4.02Å; L112-L116 HydrophobicContact CD2-CD1 4.26Å; L112-L116 HydrophobicContact CG-CD1 3.81Å; L112-L116 HydrophobicContact CG-CG 4.04Å; L112-L116 VanDerWaalsContact O-CG 3.24Å; L112-L116 WeakPolarHBondContact O-CG 3.29Å; L112-L116 PolarHBondContact O-N 2.62Å; L112-V344 HydrophobicContact CD1-CB 4.07Å; L112-V344 HydrophobicContact CD1-CG2 4.29Å; L112-V344 HydrophobicContact CD2-CG2 4.18Å; L112-N345 VanDerWaalsContact CD2-CA 3.49Å; L112-N345 HydrophobicContact CD2-CB 3.41Å; L112-N345 VanDerWaalsContact CD2-CB 3.41Å; L112-G348 WeakPolarHBondContact CA-O 3.34Å; L112-G348 PolarHBondContact N-O 2.82Å
113G98.8Very high98.6Very high0 Ų010.8 Ų10.80%05%0.054CC..Hα-helixtrans-57.2-42-179.400000111.9V22 I111 A117V22-G113 VanDerWaalsContact CG2-C 3.49Å; I111-G113 PolarHBondContact O-N 3Å; G113-A117 WeakPolarHBondContact O-CB 3.36Å; G113-A117 PolarHBondContact O-N 3.12Å
114V98.9Very high98.6Very high0 Ų012 Ų120%07%0.066CC..Hα-helixtrans-69.1-45.1175.4-178.50000111.2I6 V22 I69 L77 M94 I111 L112 L116 A117 I118I6-V114 HydrophobicContact CD1-CG1 4.13Å; I6-V114 HydrophobicContact CG2-CG2 4.46Å; V22-V114 HydrophobicContact CG1-CG2 4.14Å; V22-V114 HydrophobicContact CG2-CG2 4.29Å; I69-V114 HydrophobicContact CB-CG2 4.44Å; I69-V114 HydrophobicContact CD1-CG2 4.25Å; I69-V114 HydrophobicContact CG1-CG2 4Å; I69-V114 HydrophobicContact CG2-CG2 3.65Å; L77-V114 HydrophobicContact CD1-CG1 3.48Å; L77-V114 VanDerWaalsContact CD1-CG1 3.48Å; M94-V114 HydrophobicContact CE-CB 4.38Å; M94-V114 HydrophobicContact CE-CG1 4.27Å; M94-V114 HydrophobicContact SD-CB 3.7Å; M94-V114 HydrophobicContact SD-CG1 3.59Å; M94-V114 VanDerWaalsContact SD-CG1 3.59Å; I111-V114 PolarHBondContact O-N 2.96Å; L112-V114 PolarHBondContact O-N 3.25Å; V114-L116 VanDerWaalsContact C-N 3.35Å; V114-L116 PolarHBondContact O-N 3.06Å; V114-A117 PolarHBondContact O-N 3.3Å; V114-I118 HydrophobicContact CG1-CD1 3.75Å; V114-I118 HydrophobicContact CG1-CG1 4.31Å; V114-I118 VanDerWaalsContact O-CG1 3.27Å; V114-I118 WeakPolarHBondContact O-CG1 3.42Å; V114-I118 PolarHBondContact O-N 2.99Å
115S98.9Very high98.7Very high0 Ų011.5 Ų11.50%06%0.058CC..Hα-helixtrans-55.5-45.6178.6-173.60000112.7Q87 D91 I111 L112 I118 C119 V350Q87-S115 PolarHBondContact NE2-O 2.85Å; Q87-S115 VanDerWaalsContact NE2-O 3.09Å; Q87-S115 PolarHBondContact NE2-OG 3.39Å; D91-S115 VanDerWaalsContact CG-OG 3.22Å; D91-S115 WeakPolarHBondContact OD1-CB 3.34Å; D91-S115 PolarHBondContact OD1-OG 3.15Å; D91-S115 PolarHBondContact OD2-OG 3.14Å; I111-S115 WeakPolarHBondContact O-CB 3.45Å; I111-S115 PolarHBondContact O-N 2.95Å; L112-S115 WeakPolarHBondContact O-CB 3.48Å; L112-S115 PolarHBondContact O-N 3.37Å; L112-S115 VanDerWaalsContact O-N 3.12Å; S115-I118 PolarHBondContact O-N 3.2Å; S115-C119 PolarHBondContact O-N 3.25Å; S115-C119 VanDerWaalsContact O-N 3.09Å; S115-V350 WeakPolarHBondContact OG-CG2 3.42Å; S115-V350 PolarHBondContact OG-N 2.98Å
116L98.9Very high98.7Very high4 Ų410.2 Ų10.22%0.0215%0.052CC..Hα-helixtrans-66.5-43.4177.5-64.6171.8000111.8A33 L112 V114 I118 C119 K120 V350 F380A33-L116 HydrophobicContact CB-CB 3.4Å; A33-L116 VanDerWaalsContact CB-CB 3.4Å; A33-L116 HydrophobicContact CB-CD1 4.32Å; L112-L116 HydrophobicContact CD1-CD1 4.24Å; L112-L116 HydrophobicContact CD1-CD2 4.26Å; L112-L116 HydrophobicContact CD1-CG 4.02Å; L112-L116 HydrophobicContact CD2-CD1 4.26Å; L112-L116 HydrophobicContact CG-CD1 3.81Å; L112-L116 HydrophobicContact CG-CG 4.04Å; L112-L116 VanDerWaalsContact O-CG 3.24Å; L112-L116 WeakPolarHBondContact O-CG 3.29Å; L112-L116 PolarHBondContact O-N 2.62Å; V114-L116 VanDerWaalsContact C-N 3.35Å; V114-L116 PolarHBondContact O-N 3.06Å; L116-I118 VanDerWaalsContact C-N 3.33Å; L116-I118 PolarHBondContact O-N 2.95Å; L116-C119 WeakPolarHBondContact O-CB 3.26Å; L116-C119 PolarHBondContact O-N 3.29Å; L116-K120 WeakPolarHBondContact O-CG 3.18Å; L116-K120 PolarHBondContact O-N 3.26Å; L116-V350 HydrophobicContact CD2-CG2 3.67Å; L116-V350 HydrophobicContact CG-CG2 4.38Å; L116-F380 HydrophobicContact CB-CD2 4.43Å; L116-F380 HydrophobicContact CD2-CB 4.47Å; L116-F380 HydrophobicContact CD2-CD1 3.43Å; L116-F380 VanDerWaalsContact CD2-CD1 3.43Å; L116-F380 HydrophobicContact CD2-CD2 3.7Å; L116-F380 HydrophobicContact CD2-CE1 3.37Å; L116-F380 HydrophobicContact CD2-CE2 3.65Å; L116-F380 HydrophobicContact CD2-CG 3.6Å; L116-F380 HydrophobicContact CD2-CZ 3.5Å; L116-F380 VanDerWaalsContact CD2-CZ 3.5Å
117A98.9Very high98.7Very high0 Ų013 Ų130%08%0.083CC..Hα-helixtrans-65.8-36.2178.600000112V22 L24 A33 G113 V114 K120 A121V22-A117 HydrophobicContact CB-CB 4.46Å; V22-A117 HydrophobicContact CG1-CB 4.23Å; L24-A117 HydrophobicContact CB-CB 3.82Å; A33-A117 HydrophobicContact CB-CB 4.13Å; G113-A117 WeakPolarHBondContact O-CB 3.36Å; G113-A117 PolarHBondContact O-N 3.12Å; V114-A117 PolarHBondContact O-N 3.3Å; A117-K120 PolarHBondContact O-N 3.17Å; A117-A121 WeakPolarHBondContact O-CB 3.48Å; A117-A121 PolarHBondContact O-N 2.86Å
118I98.9Very high98.7Very high0 Ų015.1 Ų15.10%010%0.096CC..Hα-helixtrans-60.1-48.6171-70.3162.3000110.1L24 L77 V84 L90 M94 V114 S115 L116 K120 A121 G122L24-I118 HydrophobicContact CD1-CB 4.36Å; L24-I118 HydrophobicContact CD1-CG1 3.46Å; L24-I118 VanDerWaalsContact CD1-CG1 3.46Å; L77-I118 HydrophobicContact CD1-CD1 4.36Å; V84-I118 HydrophobicContact CB-CG2 4.39Å; L90-I118 HydrophobicContact CB-CD1 3.83Å; L90-I118 HydrophobicContact CD1-CD1 4Å; L90-I118 HydrophobicContact CD1-CG1 4.24Å; L90-I118 HydrophobicContact CD1-CG2 3.5Å; L90-I118 HydrophobicContact CG-CD1 4.39Å; M94-I118 HydrophobicContact CE-CD1 4.22Å; V114-I118 HydrophobicContact CG1-CD1 3.75Å; V114-I118 HydrophobicContact CG1-CG1 4.31Å; V114-I118 VanDerWaalsContact O-CG1 3.27Å; V114-I118 WeakPolarHBondContact O-CG1 3.42Å; V114-I118 PolarHBondContact O-N 2.99Å; S115-I118 PolarHBondContact O-N 3.2Å; L116-I118 VanDerWaalsContact C-N 3.33Å; L116-I118 PolarHBondContact O-N 2.95Å; I118-K120 VanDerWaalsContact C-N 3.32Å; I118-K120 PolarHBondContact O-N 3.46Å; I118-A121 CarbonylContact O-C 3.6Å; I118-A121 WeakPolarHBondContact O-CB 3.28Å; I118-A121 PolarHBondContact O-N 3.49Å; I118-A121 VanDerWaalsContact O-N 3.1Å; I118-G122 PolarHBondContact O-N 2.93Å
119C98.9Very high98.7Very high0 Ų017 Ų170%011%0.109CC..Hα-helixtrans-60.2-42.3-178.8-169.10000111.8Q87 S115 L116 G122 A123 H133 V350 F380Q87-C119 VanDerWaalsContact OE1-CB 3.24Å; Q87-C119 VanDerWaalsContact OE1-N 3.14Å; S115-C119 PolarHBondContact O-N 3.25Å; S115-C119 VanDerWaalsContact O-N 3.09Å; L116-C119 WeakPolarHBondContact O-CB 3.26Å; L116-C119 PolarHBondContact O-N 3.29Å; C119-G122 PolarHBondContact O-N 3.38Å; C119-A123 PolarHBondContact O-N 3.11Å; C119-H133 PolarHBondContact O-CD2 3.29Å; C119-V350 HydrophobicContact CB-CG2 4.4Å; C119-F380 HydrophobicContact CB-CE2 3.94Å; C119-F380 HydrophobicContact CB-CZ 4.31Å
120K98.9Very high98.8Very high38 Ų3818 Ų1817%0.16511%0.114CC..Hα-helixtrans-61.2-43.9173.3-68.8-179.7-172.4-172.90112.3F31 R32 L116 A117 I118 G122 A123 A124 L130 D378F31-K120 HydrophobicContact CB-CB 4.12Å; F31-K120 HydrophobicContact CD1-CB 4.26Å; R32-K120 WeakPolarHBondContact O-CD 3.46Å; R32-K120 WeakPolarHBondContact O-CE 3.25Å; R32-K120 PolarHBondContact O-NZ 3.42Å; L116-K120 WeakPolarHBondContact O-CG 3.18Å; L116-K120 PolarHBondContact O-N 3.26Å; A117-K120 PolarHBondContact O-N 3.17Å; I118-K120 VanDerWaalsContact C-N 3.32Å; I118-K120 PolarHBondContact O-N 3.46Å; K120-G122 VanDerWaalsContact C-N 3.34Å; K120-A123 PolarHBondContact O-N 2.73Å; K120-A124 PolarHBondContact O-N 3.32Å; K120-L130 HydrophobicContact CG-CD1 4.34Å; K120-L130 HydrophobicContact CG-CD2 4.01Å; K120-D378 IonicContact NZ-OD1 3.53Å; K120-D378 PolarHBondContact NZ-OD1 2.99Å; K120-D378 IonicContact NZ-OD2 3.02Å; K120-D378 PolarHBondContact NZ-OD2 3.35Å
121A98.8Very high98.8Very high0 Ų018.7 Ų18.70%012%0.116CC..Hα-helixtrans-65.9-37175.800000112.5L24 T26 F31 V84 A117 I118 A124 E125L24-A121 HydrophobicContact CD2-CB 3.74Å; T26-A121 HydrophobicContact CG2-CB 4.06Å; F31-A121 HydrophobicContact CB-CB 4.15Å; F31-A121 HydrophobicContact CD1-CB 4.29Å; F31-A121 HydrophobicContact CD2-CB 3.37Å; F31-A121 HydrophobicContact CE2-CB 3.83Å; F31-A121 HydrophobicContact CG-CB 3.63Å; F31-A121 HydrophobicContact CZ-CB 4.47Å; V84-A121 HydrophobicContact CB-CB 4.08Å; V84-A121 HydrophobicContact CG1-CB 4.02Å; V84-A121 HydrophobicContact CG2-CB 4.13Å; A117-A121 WeakPolarHBondContact O-CB 3.48Å; A117-A121 PolarHBondContact O-N 2.86Å; I118-A121 CarbonylContact O-C 3.6Å; I118-A121 WeakPolarHBondContact O-CB 3.28Å; I118-A121 PolarHBondContact O-N 3.49Å; I118-A121 VanDerWaalsContact O-N 3.1Å; A121-A124 PolarHBondContact O-N 2.94Å; A121-E125 WeakPolarHBondContact O-CB 3.33Å; A121-E125 PolarHBondContact O-N 3.01Å
122G98.8Very high98.8Very high0 Ų021.5 Ų21.50%013%0.127CC..Hα-helixtrans-61.5-41.2175.600000112.4L85 I118 C119 K120 E125 K126L85-G122 WeakPolarHBondContact CD2-O 3.39Å; I118-G122 PolarHBondContact O-N 2.93Å; C119-G122 PolarHBondContact O-N 3.38Å; K120-G122 VanDerWaalsContact C-N 3.34Å; G122-E125 PolarHBondContact O-N 3.43Å; G122-K126 PolarHBondContact O-N 3.12Å
123A98.8Very high98.8Very high4 Ų421.5 Ų21.53%0.03313%0.127CC..Hα-helixtrans-61.1-48.7174.400000112.1C119 K120 E125 K126 G127 V128 L130 H133C119-A123 PolarHBondContact O-N 3.11Å; K120-A123 PolarHBondContact O-N 2.73Å; A123-E125 VanDerWaalsContact C-N 3.33Å; A123-E125 PolarHBondContact O-N 2.91Å; A123-K126 CarbonylContact O-C 3.5Å; A123-K126 PolarHBondContact O-N 2.84Å; A123-G127 PolarHBondContact O-N 2.99Å; A123-V128 CarbonylContact C-O 3.59Å; A123-V128 PolarHBondContact O-N 3.16Å; A123-V128 VanDerWaalsContact O-N 3.09Å; A123-L130 HydrophobicContact CB-CB 4.35Å; A123-L130 HydrophobicContact CB-CD1 4.17Å; A123-H133 HydrophobicContact CB-CB 3.52Å
124A98.6Very high98.8Very high32 Ų3221.5 Ų21.526%0.26413%0.127SC..Hα-helixtrans-67.9-31.6178.600000113.5F31 K120 A121 G127F31-A124 HydrophobicContact CD1-CB 4.34Å; F31-A124 HydrophobicContact CE1-CB 3.21Å; F31-A124 HydrophobicContact CZ-CB 3.37Å; K120-A124 PolarHBondContact O-N 3.32Å; A121-A124 PolarHBondContact O-N 2.94Å; A124-G127 PolarHBondContact O-N 3.49Å
125E98.4Very high98.8Very high36 Ų3621.5 Ų21.517%0.16813%0.127CC..Hα-helixtrans-64.2-41.7172.5-178.166.9179.700111.4M1 V84 L85 A121 G122 A123 G127M1-E125 VanDerWaalsContact CB-OE1 3.29Å; M1-E125 WeakPolarHBondContact CB-OE1 3.24Å; M1-E125 WeakPolarHBondContact CE-OE1 3.29Å; M1-E125 VanDerWaalsContact CE-OE2 3.29Å; M1-E125 WeakPolarHBondContact CE-OE2 3.41Å; M1-E125 WeakPolarHBondContact CG-OE1 3.18Å; M1-E125 VanDerWaalsContact N-CD 3.31Å; M1-E125 PolarHBondContact N-OE1 3.46Å; V84-E125 HydrophobicContact CG2-CB 3.97Å; V84-E125 HydrophobicContact CG2-CG 4.29Å; L85-E125 HydrophobicContact CD1-CG 4.07Å; L85-E125 HydrophobicContact CD2-CB 3.87Å; L85-E125 HydrophobicContact CD2-CG 3.79Å; L85-E125 HydrophobicContact CG-CB 4.39Å; L85-E125 HydrophobicContact CG-CG 3.83Å; A121-E125 WeakPolarHBondContact O-CB 3.33Å; A121-E125 PolarHBondContact O-N 3.01Å; G122-E125 PolarHBondContact O-N 3.43Å; A123-E125 VanDerWaalsContact C-N 3.33Å; A123-E125 PolarHBondContact O-N 2.91Å; E125-G127 VanDerWaalsContact C-N 3.25Å; E125-G127 PolarHBondContact O-N 3.02Å
126K98.1Very high98.7Very high86 Ų8624.7 Ų24.737%0.37414%0.144SC..Hα-helixtrans-71.2-18.3172.5-72.9-167.6-179.6176.70113.4L85 G122 A123 V128 H133 D136L85-K126 HydrophobicContact CD2-CD 4.36Å; L85-K126 HydrophobicContact CD2-CG 3.48Å; L85-K126 VanDerWaalsContact CD2-CG 3.48Å; G122-K126 PolarHBondContact O-N 3.12Å; A123-K126 CarbonylContact O-C 3.5Å; A123-K126 PolarHBondContact O-N 2.84Å; K126-V128 HydrophobicContact CB-CG1 4.38Å; K126-V128 HydrophobicContact CB-CG2 3.83Å; K126-V128 HydrophobicContact CD-CG2 4.37Å; K126-H133 WeakPolarHBondContact CD-ND1 3.42Å; K126-D136 VanDerWaalsContact NZ-CB 3.32Å; K126-D136 IonicContact NZ-OD2 3.53Å; K126-D136 PolarHBondContact NZ-OD2 3.15Å
127G98.3Very high98.7Very high66 Ų6627 Ų2768%0.6816%0.156SC*.THydrogen-bonded Turntrans70.532.1-173.800000113.2A123 A124 E125A123-G127 PolarHBondContact O-N 2.99Å; A124-G127 PolarHBondContact O-N 3.49Å; E125-G127 VanDerWaalsContact C-N 3.25Å; E125-G127 PolarHBondContact O-N 3.02Å
128V98.7Very high98.7Very high46 Ų4627.2 Ų27.228%0.27916%0.158SC..SBendtrans-124158.6179-58.10000111.1A123 K126 R132 H133A123-V128 CarbonylContact C-O 3.59Å; A123-V128 PolarHBondContact O-N 3.16Å; A123-V128 VanDerWaalsContact O-N 3.09Å; K126-V128 HydrophobicContact CB-CG1 4.38Å; K126-V128 HydrophobicContact CB-CG2 3.83Å; K126-V128 HydrophobicContact CD-CG2 4.37Å; V128-R132 HydrophobicContact CB-CB 4.22Å; V128-R132 HydrophobicContact CB-CG 4.14Å; V128-R132 HydrophobicContact CG1-CG 4.49Å; V128-R132 HydrophobicContact CG2-CB 4.28Å; V128-R132 HydrophobicContact CG2-CG 4.34Å; V128-H133 HydrophobicContact CG2-CB 4.01Å
129P98.8Very high98.7Very high42 Ų4230.3 Ų30.327%0.27319%0.19SC..  trans-58.7155.2169.9-25.236.4000112.6Y131 R132 H133 E416P129-Y131 HydrophobicContact CB-CD1 3.76Å; P129-Y131 HydrophobicContact CB-CE1 3.27Å; P129-Y131 HydrophobicContact CB-CE2 4.19Å; P129-Y131 HydrophobicContact CB-CG 4.42Å; P129-Y131 HydrophobicContact CG-CE1 4Å; P129-Y131 PolarHBondContact O-N 3.48Å; P129-R132 WeakPolarHBondContact O-CB 3.5Å; P129-R132 PolarHBondContact O-N 2.91Å; P129-R132 VanDerWaalsContact O-N 3.13Å; P129-H133 PolarHBondContact O-N 3.19Å; P129-H133 VanDerWaalsContact O-N 3.08Å; P129-E416 VanDerWaalsContact CG-OE1 3.29Å; P129-E416 WeakPolarHBondContact CG-OE1 3.4Å
130L98.9Very high98.6Very high25 Ų2532.2 Ų32.213%0.13120%0.2CC..Hα-helixtrans-61.6-45.1-175.6173.764.4000112.2K120 A123 R132 H133 I134 F380 D383K120-L130 HydrophobicContact CG-CD1 4.34Å; K120-L130 HydrophobicContact CG-CD2 4.01Å; A123-L130 HydrophobicContact CB-CB 4.35Å; A123-L130 HydrophobicContact CB-CD1 4.17Å; L130-R132 PolarHBondContact O-N 2.89Å; L130-H133 WeakPolarHBondContact O-CB 3.35Å; L130-H133 PolarHBondContact O-N 2.9Å; L130-H133 VanDerWaalsContact O-N 3.09Å; L130-I134 HydrophobicContact CD1-CD1 3.95Å; L130-I134 HydrophobicContact CD1-CG1 4.06Å; L130-I134 HydrophobicContact CD2-CD1 4.46Å; L130-I134 HydrophobicContact CG-CD1 3.84Å; L130-I134 HydrophobicContact CG-CG1 4.36Å; L130-I134 WeakPolarHBondContact O-CG1 3.43Å; L130-I134 PolarHBondContact O-N 3.31Å; L130-F380 HydrophobicContact CD1-CE2 4.29Å; L130-F380 HydrophobicContact CD2-CD2 3.83Å; L130-F380 HydrophobicContact CD2-CE2 4.16Å; L130-D383 HydrophobicContact CB-CB 4.07Å; L130-D383 WeakPolarHBondContact CB-OD1 3.35Å; L130-D383 HydrophobicContact CD2-CB 3.71Å; L130-D383 HydrophobicContact CG-CB 3.72Å
131Y98.9Very high98.4Very high13 Ų1333 Ų335%0.05122%0.219CC..Hα-helixtrans-56.1-35.5176.161.5-98.7000113P129 A135 L143 D383 V386 G387 I413 E416 L417P129-Y131 HydrophobicContact CB-CD1 3.76Å; P129-Y131 HydrophobicContact CB-CE1 3.27Å; P129-Y131 HydrophobicContact CB-CE2 4.19Å; P129-Y131 HydrophobicContact CB-CG 4.42Å; P129-Y131 HydrophobicContact CG-CE1 4Å; P129-Y131 PolarHBondContact O-N 3.48Å; Y131-A135 WeakPolarHBondContact O-CB 3.44Å; Y131-A135 PolarHBondContact O-N 3.2Å; Y131-L143 HydrophobicContact CD2-CD1 3.52Å; Y131-L143 HydrophobicContact CE2-CD1 3.73Å; Y131-D383 WeakPolarHBondContact CA-O 3.35Å; Y131-D383 WeakPolarHBondContact CB-O 3.37Å; Y131-D383 WeakPolarHBondContact CD1-OD1 3.42Å; Y131-D383 PolarHBondContact N-OD1 2.87Å; Y131-V386 HydrophobicContact CD2-CG1 4.3Å; Y131-V386 HydrophobicContact CG-CG1 4.32Å; Y131-G387 VanDerWaalsContact O-CA 3.25Å; Y131-G387 WeakPolarHBondContact O-CA 3.36Å; Y131-I413 HydrophobicContact CD1-CB 4.35Å; Y131-I413 HydrophobicContact CD1-CD1 3.93Å; Y131-I413 HydrophobicContact CD1-CG1 3.69Å; Y131-I413 HydrophobicContact CD1-CG2 3.78Å; Y131-I413 HydrophobicContact CE1-CB 4.33Å; Y131-I413 HydrophobicContact CE1-CG1 3.93Å; Y131-I413 HydrophobicContact CE1-CG2 3.81Å; Y131-I413 HydrophobicContact CG-CG2 4.15Å; Y131-E416 WeakPolarHBondContact CE1-OE2 3.31Å; Y131-E416 PolarHBondContact OH-OE2 3.23Å; Y131-L417 HydrophobicContact CE2-CD2 3.96Å; Y131-L417 HydrophobicContact CE2-CG 4.43Å
132R98.8Very high98.2Very high59 Ų5939.5 Ų39.522%0.22325%0.254CS..Hα-helixtrans-72.4-40.3178-175.361-97.2169.6-5.7111.1V128 P129 L130 A135 D136 N140 G141V128-R132 HydrophobicContact CB-CB 4.22Å; V128-R132 HydrophobicContact CB-CG 4.14Å; V128-R132 HydrophobicContact CG1-CG 4.49Å; V128-R132 HydrophobicContact CG2-CB 4.28Å; V128-R132 HydrophobicContact CG2-CG 4.34Å; P129-R132 WeakPolarHBondContact O-CB 3.5Å; P129-R132 PolarHBondContact O-N 2.91Å; P129-R132 VanDerWaalsContact O-N 3.13Å; L130-R132 PolarHBondContact O-N 2.89Å; R132-A135 VanDerWaalsContact CZ-CB 3.47Å; R132-A135 VanDerWaalsContact NH2-CB 3.28Å; R132-A135 PolarHBondContact O-N 3.32Å; R132-D136 IonicContact CZ-OD1 3.59Å; R132-D136 IonicContact NE-OD1 2.66Å; R132-D136 PolarHBondContact NE-OD1 3.43Å; R132-D136 IonicContact NH2-OD1 2.79Å; R132-D136 PolarHBondContact NH2-OD1 3.43Å; R132-D136 VanDerWaalsContact O-CG 3.26Å; R132-D136 PolarHBondContact O-N 3.35Å; R132-N140 PolarHBondContact NH2-O 3.23Å; R132-G141 PolarHBondContact NH1-O 3.21Å
133H98.9Very high98.2Very high0 Ų040.3 Ų40.30%026%0.258CS..Hα-helixtrans-61.7-43.8173.2-17963000112C119 A123 K126 V128 P129 L130 D136 L137C119-H133 PolarHBondContact O-CD2 3.29Å; A123-H133 HydrophobicContact CB-CB 3.52Å; K126-H133 WeakPolarHBondContact CD-ND1 3.42Å; V128-H133 HydrophobicContact CG2-CB 4.01Å; P129-H133 PolarHBondContact O-N 3.19Å; P129-H133 VanDerWaalsContact O-N 3.08Å; L130-H133 WeakPolarHBondContact O-CB 3.35Å; L130-H133 PolarHBondContact O-N 2.9Å; L130-H133 VanDerWaalsContact O-N 3.09Å; H133-D136 WeakPolarHBondContact O-CB 3.28Å; H133-D136 PolarHBondContact O-N 3.23Å; H133-L137 WeakPolarHBondContact O-CG 3.12Å; H133-L137 PolarHBondContact O-N 3.07Å
134I98.9Very high98.2Very high0 Ų040.5 Ų40.50%026%0.259CS..Hα-helixtrans-62.2-43.5175.5-68.3172.2000110.7L130 D136 L137 A138 F380 D383 L384 L388L130-I134 HydrophobicContact CD1-CD1 3.95Å; L130-I134 HydrophobicContact CD1-CG1 4.06Å; L130-I134 HydrophobicContact CD2-CD1 4.46Å; L130-I134 HydrophobicContact CG-CD1 3.84Å; L130-I134 HydrophobicContact CG-CG1 4.36Å; L130-I134 WeakPolarHBondContact O-CG1 3.43Å; L130-I134 PolarHBondContact O-N 3.31Å; I134-D136 VanDerWaalsContact C-N 3.31Å; I134-D136 PolarHBondContact O-N 2.88Å; I134-L137 WeakPolarHBondContact O-CB 3.4Å; I134-L137 PolarHBondContact O-N 3.46Å; I134-L137 VanDerWaalsContact O-N 3.13Å; I134-A138 WeakPolarHBondContact O-CB 3.4Å; I134-A138 PolarHBondContact O-N 2.83Å; I134-F380 HydrophobicContact CD1-CE1 4.33Å; I134-F380 HydrophobicContact CD1-CE2 4.19Å; I134-F380 HydrophobicContact CD1-CZ 3.88Å; I134-D383 HydrophobicContact CD1-CB 4.2Å; I134-L384 HydrophobicContact CD1-CB 4.3Å; I134-L384 HydrophobicContact CD1-CD1 4.23Å; I134-L384 HydrophobicContact CG2-CD1 3.87Å; I134-L388 HydrophobicContact CG2-CD2 4.4Å; I134-L388 HydrophobicContact CG2-CG 4.36Å
135A98.8Very high98.2Very high0 Ų039 Ų390%025%0.246CC..Hα-helixtrans-59.4-41175.800000112.4Y131 R132 L137 A138 G139 N140 L143 G387Y131-A135 WeakPolarHBondContact O-CB 3.44Å; Y131-A135 PolarHBondContact O-N 3.2Å; R132-A135 VanDerWaalsContact CZ-CB 3.47Å; R132-A135 VanDerWaalsContact NH2-CB 3.28Å; R132-A135 PolarHBondContact O-N 3.32Å; A135-L137 VanDerWaalsContact C-N 3.35Å; A135-L137 PolarHBondContact O-N 2.91Å; A135-A138 PolarHBondContact O-N 3.37Å; A135-G139 PolarHBondContact O-N 3.22Å; A135-N140 HydrophobicContact CB-CB 4.22Å; A135-N140 PolarHBondContact O-N 3.27Å; A135-L143 HydrophobicContact CB-CD2 3.53Å; A135-G387 VanDerWaalsContact CA-O 3.29Å; A135-G387 WeakPolarHBondContact CA-O 3.32Å; A135-G387 WeakPolarHBondContact CB-O 3.13Å
136D98.7Very high98.2Very high67 Ų6737.2 Ų37.236%0.35824%0.238SC..Hα-helixtrans-62.8-41.1174.3-61.8-9.8000112.1K126 R132 H133 I134 A138 G139K126-D136 VanDerWaalsContact NZ-CB 3.32Å; K126-D136 IonicContact NZ-OD2 3.53Å; K126-D136 PolarHBondContact NZ-OD2 3.15Å; R132-D136 IonicContact CZ-OD1 3.59Å; R132-D136 IonicContact NE-OD1 2.66Å; R132-D136 PolarHBondContact NE-OD1 3.43Å; R132-D136 IonicContact NH2-OD1 2.79Å; R132-D136 PolarHBondContact NH2-OD1 3.43Å; R132-D136 VanDerWaalsContact O-CG 3.26Å; R132-D136 PolarHBondContact O-N 3.35Å; H133-D136 WeakPolarHBondContact O-CB 3.28Å; H133-D136 PolarHBondContact O-N 3.23Å; I134-D136 VanDerWaalsContact C-N 3.31Å; I134-D136 PolarHBondContact O-N 2.88Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 3.15Å; D136-G139 PolarHBondContact O-N 3.04Å
137L98.8Very high98.2Very high53 Ų5333.1 Ų33.128%0.27722%0.22SC..Hα-helixtrans-64.7-35.6177.2-68.8173.6000111.7Q87 H133 I134 A135 I354Q87-L137 HydrophobicContact CB-CD1 4Å; Q87-L137 HydrophobicContact CB-CD2 3.88Å; Q87-L137 HydrophobicContact CG-CD1 4.05Å; H133-L137 WeakPolarHBondContact O-CG 3.12Å; H133-L137 PolarHBondContact O-N 3.07Å; I134-L137 WeakPolarHBondContact O-CB 3.4Å; I134-L137 PolarHBondContact O-N 3.46Å; I134-L137 VanDerWaalsContact O-N 3.13Å; A135-L137 VanDerWaalsContact C-N 3.35Å; A135-L137 PolarHBondContact O-N 2.91Å; L137-I354 HydrophobicContact CB-CD1 3.77Å; L137-I354 HydrophobicContact CD1-CD1 4.32Å
138A98.5Very high98.3Very high5 Ų530 Ų304%0.04119%0.188CC..Hα-helixtrans-79.8-23177.600000113.4I134 A135 D136 I354 L388I134-A138 WeakPolarHBondContact O-CB 3.4Å; I134-A138 PolarHBondContact O-N 2.83Å; A135-A138 PolarHBondContact O-N 3.37Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 3.15Å; A138-I354 HydrophobicContact CB-CG2 4.04Å; A138-L388 HydrophobicContact CB-CD2 3.78Å
139G98.2Very high98.3Very high65 Ų6527.9 Ų27.967%0.6718%0.175SC*.THydrogen-bonded Turntrans86.424-173.900000114A135 D136A135-G139 PolarHBondContact O-N 3.22Å; D136-G139 PolarHBondContact O-N 3.04Å
140N97.8Very high98.3Very high40 Ų4025.9 Ų25.921%0.21416%0.162CC..  trans-93131.1-177.4-68.7-24.2000111.6R132 A135 G387 L388R132-N140 PolarHBondContact NH2-O 3.23Å; A135-N140 HydrophobicContact CB-CB 4.22Å; A135-N140 PolarHBondContact O-N 3.27Å; N140-G387 PolarHBondContact ND2-O 3.06Å; N140-L388 VanDerWaalsContact ND2-C 3.31Å; N140-L388 WeakPolarHBondContact ND2-CA 3.32Å; N140-L388 PolarHBondContact ND2-O 2.88Å
141G94.2Very high98.3Very high55 Ų5524.7 Ų24.757%0.56716%0.156SC*.  trans-87.3-70.3176.200000111.9R132R132-G141 PolarHBondContact NH1-O 3.21Å
142D94.5Very high98.3Very high136 Ų13624.1 Ų24.173%0.72715%0.154SC*.SBendtrans-85.3127.5-176.2-60.6-52.7000111.5C389D142-C389 PolarHBondContact O-SG 2.9Å
143L98Very high98.2Very high16 Ų1621.3 Ų21.38%0.08414%0.143CC..  trans-94.3149.6-174.6-56.4179.7000111.8Y131 A135 V386 L417Y131-L143 HydrophobicContact CD2-CD1 3.52Å; Y131-L143 HydrophobicContact CE2-CD1 3.73Å; A135-L143 HydrophobicContact CB-CD2 3.53Å; L143-V386 HydrophobicContact CB-CG1 4.1Å; L143-V386 HydrophobicContact CD1-CG1 4.28Å; L143-L417 HydrophobicContact CB-CD1 4.49Å; L143-L417 HydrophobicContact CD1-CD2 3.99Å
144V98.5Very high98.1Very high8 Ų821.3 Ų21.35%0.04814%0.143CC..  trans-133.6132.4179.6-179.30000110.5R422 A424 P431 L434V144-R422 CarbonylContact C-O 3.49Å; V144-R422 WeakPolarHBondContact CA-O 3.24Å; V144-R422 WeakPolarHBondContact CG1-O 3.43Å; V144-A424 HydrophobicContact CG1-CB 3.79Å; V144-P431 HydrophobicContact CB-CB 4.19Å; V144-P431 HydrophobicContact CG1-CB 3.77Å; V144-P431 HydrophobicContact CG2-CB 4.17Å; V144-L434 HydrophobicContact CG1-CD1 3.86Å; V144-L434 HydrophobicContact CG2-CD1 4.25Å
145L98.9Very high97.9Very high0 Ų021.3 Ų21.30%014%0.143CC..BIsolated β-bridgetrans-77.3134.8169.9-84.9-65.7000110F178 V386 L410 E414 L417 A421 R422 F423 A424L145-F178 HydrophobicContact CB-CB 4.11Å; L145-F178 HydrophobicContact CD1-CB 4.22Å; L145-F178 HydrophobicContact CD1-CG 4.3Å; L145-F178 HydrophobicContact CG-CB 4.16Å; L145-V386 HydrophobicContact CD1-CG2 4.02Å; L145-L410 HydrophobicContact CD1-CD2 4.2Å; L145-E414 HydrophobicContact CD1-CB 4.13Å; L145-E414 HydrophobicContact CG-CB 4.1Å; L145-E414 HydrophobicContact CG-CG 4.49Å; L145-L417 HydrophobicContact CD2-CD1 3.68Å; L145-A421 HydrophobicContact CD2-CB 4.2Å; L145-R422 PolarHBondContact N-O 3.31Å; L145-F423 HydrophobicContact CB-CD2 4.38Å; L145-A424 WeakPolarHBondContact O-CB 3.31Å; L145-A424 PolarHBondContact O-N 3.32Å
146P98.9Very high97.6Very high0 Ų021.4 Ų21.40%014%0.144CC..PPolyproline II helixtrans-80.5155.6-173.434.9-38.8000113P148 F178 V385 G391 I393 L410 F423P146-P148 WeakPolarHBondContact O-CD 3.41Å; P146-F178 HydrophobicContact CG-CE2 4.49Å; P146-F178 WeakPolarHBondContact O-CD2 3.34Å; P146-V385 HydrophobicContact CB-CG1 4.41Å; P146-V385 HydrophobicContact CB-CG2 3.69Å; P146-V385 HydrophobicContact CG-CG1 3.74Å; P146-V385 HydrophobicContact CG-CG2 3.96Å; P146-G391 CarbonylContact C-O 3.56Å; P146-G391 VanDerWaalsContact CA-C 3.44Å; P146-G391 WeakPolarHBondContact CA-O 3.23Å; P146-I393 HydrophobicContact CB-CB 4.26Å; P146-I393 HydrophobicContact CB-CG2 3.88Å; P146-I393 HydrophobicContact CG-CB 4.21Å; P146-I393 HydrophobicContact CG-CG2 3.55Å; P146-L410 HydrophobicContact CG-CD1 4.03Å; P146-L410 HydrophobicContact CG-CD2 4.06Å; P146-F423 VanDerWaalsContact O-CE2 3.28Å; P146-F423 WeakPolarHBondContact O-CE2 3.43Å
147V98.9Very high97.3Very high0 Ų020.5 Ų20.50%014%0.143CC..EExtended strand (participates in β ladder)trans-70.7124.6157.5178.60000108.8L171 V173 G391 Q392 I393 F423 A424 G425 F428V147-L171 HydrophobicContact CG1-CB 3.95Å; V147-L171 HydrophobicContact CG1-CD2 4.4Å; V147-L171 HydrophobicContact CG1-CG 4.46Å; V147-V173 HydrophobicContact CG1-CG1 4.06Å; V147-V173 HydrophobicContact CG2-CG1 4.41Å; V147-G391 PolarHBondContact N-O 3.35Å; V147-Q392 WeakPolarHBondContact O-CA 3.36Å; V147-I393 PolarHBondContact O-N 2.9Å; V147-I393 VanDerWaalsContact O-N 3.1Å; V147-F423 HydrophobicContact CB-CZ 4.42Å; V147-F423 HydrophobicContact CG2-CE1 4.36Å; V147-F423 HydrophobicContact CG2-CE2 4.13Å; V147-F423 HydrophobicContact CG2-CZ 3.74Å; V147-A424 HydrophobicContact CG2-CB 4.29Å; V147-G425 VanDerWaalsContact CG2-O 3.26Å; V147-G425 WeakPolarHBondContact CG2-O 2.93Å; V147-F428 HydrophobicContact CB-CB 4Å; V147-F428 HydrophobicContact CG2-CB 3.68Å
148P98.9Very high96.6Very high0 Ų018.3 Ų18.30%013%0.131CC..EExtended strand (participates in β ladder)trans-76.5129.5172.430.5-33.6000111.1P146 F150 P172 F178 A181 I393 Y407P146-P148 WeakPolarHBondContact O-CD 3.41Å; P148-F150 HydrophobicContact CB-CD1 4.41Å; P148-F150 HydrophobicContact CB-CD2 4.32Å; P148-F150 HydrophobicContact CB-CE1 3.8Å; P148-F150 HydrophobicContact CB-CE2 3.71Å; P148-F150 HydrophobicContact CB-CZ 3.4Å; P148-F150 HydrophobicContact CG-CD2 4.29Å; P148-F150 HydrophobicContact CG-CE1 4.2Å; P148-F150 HydrophobicContact CG-CE2 3.36Å; P148-F150 HydrophobicContact CG-CZ 3.29Å; P148-P172 WeakPolarHBondContact O-CD 3.4Å; P148-F178 HydrophobicContact CB-CE2 4.19Å; P148-F178 HydrophobicContact CG-CE2 4.06Å; P148-A181 HydrophobicContact CG-CB 4.01Å; P148-I393 WeakPolarHBondContact CA-O 3.18Å; P148-Y407 HydrophobicContact CB-CD1 4.25Å; P148-Y407 HydrophobicContact CB-CE1 3.63Å
149A98.9Very high96.1Very high1 Ų118.8 Ų18.81%0.00814%0.135CC..EExtended strand (participates in β ladder)trans-96.198.9168.200000109.3M169 L171 M368 I393 K394A149-M169 HydrophobicContact CB-CB 4.36Å; A149-M169 HydrophobicContact CB-SD 3.76Å; A149-L171 HydrophobicContact CB-CD1 4.08Å; A149-L171 HydrophobicContact CB-CD2 4.15Å; A149-L171 HydrophobicContact CB-CG 3.84Å; A149-M368 HydrophobicContact CB-CE 4.44Å; A149-M368 HydrophobicContact CB-SD 4.44Å; A149-I393 PolarHBondContact N-O 3.37Å; A149-K394 HydrophobicContact CB-CB 4.06Å
150F98.9Very high95.5Very high0 Ų020.1 Ų20.10%015%0.149CC..EExtended strand (participates in β ladder)trans-86112.9-175.7-61.5-70.4000110.8P148 V152 M169 V170 P172 L182 G396 P398 Y407P148-F150 HydrophobicContact CB-CD1 4.41Å; P148-F150 HydrophobicContact CB-CD2 4.32Å; P148-F150 HydrophobicContact CB-CE1 3.8Å; P148-F150 HydrophobicContact CB-CE2 3.71Å; P148-F150 HydrophobicContact CB-CZ 3.4Å; P148-F150 HydrophobicContact CG-CD2 4.29Å; P148-F150 HydrophobicContact CG-CE1 4.2Å; P148-F150 HydrophobicContact CG-CE2 3.36Å; P148-F150 HydrophobicContact CG-CZ 3.29Å; F150-V152 HydrophobicContact CB-CG1 4.02Å; F150-V152 WeakPolarHBondContact O-CG1 3.46Å; F150-V152 PolarHBondContact O-N 3.25Å; F150-M169 CarbonylContact O-C 3.56Å; F150-M169 WeakPolarHBondContact O-CA 3.46Å; F150-V170 HydrophobicContact CB-CG2 3.9Å; F150-V170 HydrophobicContact CD2-CG2 4.25Å; F150-V170 PolarHBondContact N-O 2.83Å; F150-V170 PolarHBondContact O-N 2.96Å; F150-P172 HydrophobicContact CD2-CG 4.26Å; F150-P172 HydrophobicContact CE2-CG 3.92Å; F150-L182 HydrophobicContact CE1-CD1 3.62Å; F150-L182 HydrophobicContact CZ-CD1 3.58Å; F150-G396 WeakPolarHBondContact CA-O 3.38Å; F150-P398 HydrophobicContact CD1-CB 4.42Å; F150-P398 HydrophobicContact CD1-CG 4.42Å; F150-P398 HydrophobicContact CE1-CB 4.46Å; F150-Y407 HydrophobicContact CD1-CE1 4.05Å; F150-Y407 AromaticContact CD1-CE2 3.75Å; F150-Y407 HydrophobicContact CD1-CE2 3.75Å; F150-Y407 AromaticContact CD1-CZ 3.46Å; F150-Y407 VanDerWaalsContact CD1-CZ 3.46Å; F150-Y407 WeakPolarHBondContact CD1-OH 3.48Å; F150-Y407 AromaticContact CE1-CD1 3.95Å; F150-Y407 HydrophobicContact CE1-CD1 3.95Å; F150-Y407 HydrophobicContact CE1-CD2 4.04Å; F150-Y407 AromaticContact CE1-CE1 3.54Å; F150-Y407 HydrophobicContact CE1-CE1 3.54Å; F150-Y407 AromaticContact CE1-CE2 3.65Å; F150-Y407 HydrophobicContact CE1-CE2 3.65Å; F150-Y407 HydrophobicContact CE1-CG 4.19Å; F150-Y407 AromaticContact CE1-CZ 3.37Å; F150-Y407 HydrophobicContact CZ-CE1 4.34Å
151N98.6Very high95.1Very high1 Ų118.6 Ų18.61%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-70.996.5174.1-173.35.2000111.1I153 N154 E167 F168 M169 E210 G212 A397N151-I153 PolarHBondContact OD1-O 2.98Å; N151-I153 VanDerWaalsContact OD1-O 3.07Å; N151-N154 PolarHBondContact ND2-ND2 2.99Å; N151-E167 VanDerWaalsContact ND2-CG 3.32Å; N151-E167 WeakPolarHBondContact ND2-CG 3.43Å; N151-E167 WeakPolarHBondContact OD1-CB 3.24Å; N151-F168 PolarHBondContact OD1-N 3.27Å; N151-M169 HydrophobicContact CB-CG 4.1Å; N151-E210 PolarHBondContact ND2-OE2 3.12Å; N151-G212 WeakPolarHBondContact O-CA 3.36Å; N151-A397 VanDerWaalsContact O-CB 3.26Å; N151-A397 WeakPolarHBondContact O-CB 3.5Å
152V98.7Very high95Very high0 Ų020.4 Ų20.40%013%0.13CC..EExtended strand (participates in β ladder)trans-100.5-17.9-169.4-67.30000114.2F150 F168 V170 Y189 L192 G212 F213 I227F150-V152 HydrophobicContact CB-CG1 4.02Å; F150-V152 WeakPolarHBondContact O-CG1 3.46Å; F150-V152 PolarHBondContact O-N 3.25Å; V152-F168 WeakPolarHBondContact CG2-O 3.14Å; V152-F168 PolarHBondContact N-O 3.28Å; V152-V170 HydrophobicContact CG1-CG2 3.75Å; V152-V170 HydrophobicContact CG2-CG1 3.9Å; V152-V170 HydrophobicContact CG2-CG2 4.29Å; V152-Y189 HydrophobicContact CB-CD2 4.15Å; V152-Y189 HydrophobicContact CG1-CD2 3.9Å; V152-L192 HydrophobicContact CB-CD2 3.76Å; V152-L192 HydrophobicContact CG2-CD2 3.78Å; V152-G212 CarbonylContact O-C 3.57Å; V152-G212 WeakPolarHBondContact O-CA 3.41Å; V152-F213 PolarHBondContact O-N 3.39Å; V152-I227 HydrophobicContact CG2-CD1 3.89Å; V152-I227 HydrophobicContact CG2-CG1 4.06Å
153I98.6Very high95Very high0 Ų014 Ų140%010%0.096CC..EExtended strand (participates in β ladder)trans-130.3126.9168.1-60.6-179.6000108.6N151 L163 F168 L192 I196 F213 P215 A223 L226 I227N151-I153 PolarHBondContact OD1-O 2.98Å; N151-I153 VanDerWaalsContact OD1-O 3.07Å; I153-L163 HydrophobicContact CG2-CD2 3.99Å; I153-F168 HydrophobicContact CB-CB 4.16Å; I153-F168 HydrophobicContact CB-CD2 4.38Å; I153-F168 HydrophobicContact CG2-CD2 4.3Å; I153-F168 PolarHBondContact N-O 3.33Å; I153-F168 PolarHBondContact O-N 2.8Å; I153-L192 HydrophobicContact CD1-CD1 4.36Å; I153-L192 HydrophobicContact CD1-CD2 4.3Å; I153-L192 HydrophobicContact CG1-CD2 3.88Å; I153-I196 HydrophobicContact CD1-CD1 4.44Å; I153-I196 HydrophobicContact CG1-CD1 4.46Å; I153-F213 CarbonylContact C-O 3.49Å; I153-F213 WeakPolarHBondContact CA-O 3.42Å; I153-P215 HydrophobicContact CG2-CG 4.19Å; I153-A223 HydrophobicContact CD1-CB 4.21Å; I153-A223 HydrophobicContact CG2-CB 4.35Å; I153-L226 HydrophobicContact CD1-CB 4.18Å; I153-L226 HydrophobicContact CD1-CD1 4.33Å; I153-I227 HydrophobicContact CD1-CD1 4.02Å; I153-I227 HydrophobicContact CD1-CG1 3.8Å; I153-I227 HydrophobicContact CG1-CD1 4.26Å; I153-I227 HydrophobicContact CG1-CG1 4.29Å
154N95.4Very high94.9Very high0 Ų013.2 Ų13.20%09%0.092CC..EExtended strand (participates in β ladder)trans-98.8135.4175.9-71.9121.3000111.5N151 H158 A159 N161 G212 F213N151-N154 PolarHBondContact ND2-ND2 2.99Å; N154-H158 HydrophobicContact CB-CB 4.4Å; N154-A159 HydrophobicContact CB-CB 3.94Å; N154-A159 WeakPolarHBondContact O-CB 3.33Å; N154-N161 PolarHBondContact O-ND2 3.48Å; N154-G212 WeakPolarHBondContact OD1-CA 3.33Å; N154-G212 PolarHBondContact OD1-N 2.78Å; N154-G212 PolarHBondContact OD1-O 2.64Å; N154-G212 VanDerWaalsContact OD1-O 3.12Å; N154-F213 PolarHBondContact N-O 3.16Å
155G94.8Very high94.9Very high0 Ų012.9 Ų12.90%09%0.09CC..  trans-131.4-148.3167.400000110.8S157 H158 A159 M165 Q166G155-S157 PolarHBondContact O-N 3.07Å; G155-H158 PolarHBondContact O-N 2.83Å; G155-H158 VanDerWaalsContact O-N 3.09Å; G155-A159 PolarHBondContact O-N 3.1Å; G155-M165 CarbonylContact C-O 3.35Å; G155-M165 WeakPolarHBondContact CA-O 3.28Å; G155-Q166 PolarHBondContact N-O 2.79Å
156G93.8Very high94.8Very high2 Ų213 Ų132%0.0219%0.091CC..G310 helixtrans49.5-137.4176.500000113.1H158 L163 A164 M165 K262G156-H158 PolarHBondContact O-N 2.94Å; G156-L163 PolarHBondContact N-O 3.15Å; G156-A164 WeakPolarHBondContact CA-O 3.42Å; G156-A164 PolarHBondContact N-O 2.92Å; G156-M165 PolarHBondContact N-O 2.81Å; G156-M165 VanDerWaalsContact N-O 3.17Å; G156-K262 WeakPolarHBondContact O-CD 3.49Å; G156-K262 PolarHBondContact O-NZ 3.25Å
157S90.6Very high94.8Very high48 Ų4813.2 Ų13.234%0.3369%0.091SC..G310 helixtrans-76.4-6.3178.8-65.20000114G155 E250G155-S157 PolarHBondContact O-N 3.07Å; S157-E250 PolarHBondContact OG-OE2 3.35Å
158H85.1Confident94.8Very high8 Ų813.2 Ų13.24%0.0379%0.091CC..G310 helixtrans-92.9-6.9-178.7-66.5173.5000113.9N154 G155 G156 Q166 E167 D209 E210 S373N154-H158 HydrophobicContact CB-CB 4.4Å; G155-H158 PolarHBondContact O-N 2.83Å; G155-H158 VanDerWaalsContact O-N 3.09Å; G156-H158 PolarHBondContact O-N 2.94Å; H158-Q166 HydrophobicContact CB-CG 4.44Å; H158-Q166 WeakPolarHBondContact ND1-CG 3.28Å; H158-E167 IonicContact CE1-OE1 2.62Å; H158-E167 IonicContact ND1-OE1 3.45Å; H158-D209 PolarHBondContact O-N 2.82Å; H158-E210 IonicContact CE1-OE1 3.79Å; H158-E210 PolarHBondContact CE1-OE1 3.22Å; H158-E210 VanDerWaalsContact CE1-OE1 3.26Å; H158-E210 IonicContact ND1-OE1 3.24Å; H158-S373 VanDerWaalsContact NE2-CB 3.34Å; H158-S373 WeakPolarHBondContact NE2-CB 3.26Å; H158-S373 PolarHBondContact NE2-OG 2.83Å
159A87.2Confident94.8Very high14 Ų1413.2 Ų13.212%0.1169%0.092CC..SBendtrans-146.8142.3-176.600000113.8N154 G155 N161 A214 K262N154-A159 HydrophobicContact CB-CB 3.94Å; N154-A159 WeakPolarHBondContact O-CB 3.33Å; G155-A159 PolarHBondContact O-N 3.1Å; A159-N161 PolarHBondContact O-N 2.95Å; A159-A214 HydrophobicContact CB-CB 3.78Å; A159-K262 PolarHBondContact O-NZ 2.89Å
160G86.9Confident94.8Very high93 Ų9313.2 Ų13.296%0.9599%0.091SC*.SBendtrans-77.741.3175.100000114.8
161N89.6Confident94.8Very high8 Ų813.2 Ų13.24%0.0439%0.091CC..SBendtrans-113.4-174.617559.817.2000111.1N154 A159 P215 K262N154-N161 PolarHBondContact O-ND2 3.48Å; A159-N161 PolarHBondContact O-N 2.95Å; N161-P215 VanDerWaalsContact CB-O 3.27Å; N161-P215 WeakPolarHBondContact CB-O 3.07Å; N161-P215 PolarHBondContact ND2-O 2.93Å; N161-K262 VanDerWaalsContact O-CD 3.32Å; N161-K262 WeakPolarHBondContact O-CD 3.47Å; N161-K262 WeakPolarHBondContact O-CE 3.48Å; N161-K262 PolarHBondContact O-NZ 2.78Å; N161-K262 PolarHBondContact OD1-NZ 2.77Å
162R92.1Very high94.8Very high94 Ų9413.1 Ų13.136%0.3559%0.091SC..SBendtrans-90.9-17.7177.1-64.8-173.880.5-178.58.3114.4A164 Q218 D260 S263R162-A164 PolarHBondContact O-N 3.2Å; R162-Q218 HydrophobicContact CB-CB 4.19Å; R162-Q218 HydrophobicContact CB-CG 4.3Å; R162-D260 IonicContact CZ-OD1 3.38Å; R162-D260 IonicContact CZ-OD2 3.3Å; R162-D260 IonicContact NE-OD1 3.32Å; R162-D260 PolarHBondContact NE-OD1 2.72Å; R162-D260 IonicContact NH2-OD1 3.34Å; R162-D260 PolarHBondContact NH2-OD1 3.48Å; R162-D260 IonicContact NH2-OD2 2.74Å; R162-D260 PolarHBondContact NH2-OD2 3.46Å; R162-S263 PolarHBondContact NE-OG 3.25Å; R162-S263 PolarHBondContact NH2-OG 3.09Å
163L94.4Very high94.8Very high0 Ų013.4 Ų13.40%09%0.092CC..  trans-51.3118.7179.7-169.364.2000111.6I153 G156 F168 I217 N220 A223 K262I153-L163 HydrophobicContact CG2-CD2 3.99Å; G156-L163 PolarHBondContact N-O 3.15Å; L163-F168 HydrophobicContact CD1-CE2 4.13Å; L163-F168 HydrophobicContact CD1-CZ 4.04Å; L163-F168 HydrophobicContact CD2-CD2 4.06Å; L163-F168 HydrophobicContact CD2-CE2 3.42Å; L163-F168 VanDerWaalsContact CD2-CE2 3.42Å; L163-F168 HydrophobicContact CD2-CZ 4.14Å; L163-F168 HydrophobicContact CG-CE2 3.87Å; L163-F168 HydrophobicContact CG-CZ 4.27Å; L163-I217 HydrophobicContact CB-CG1 4.37Å; L163-I217 HydrophobicContact CD1-CD1 4.17Å; L163-I217 HydrophobicContact CD1-CG1 4.16Å; L163-I217 HydrophobicContact CD2-CD1 4.03Å; L163-I217 HydrophobicContact CD2-CG1 4.15Å; L163-I217 HydrophobicContact CG-CG1 4.5Å; L163-I217 PolarHBondContact N-O 2.72Å; L163-N220 HydrophobicContact CD1-CB 4.33Å; L163-N220 VanDerWaalsContact CD1-OD1 3.26Å; L163-N220 WeakPolarHBondContact CD1-OD1 3.33Å; L163-A223 HydrophobicContact CD1-CB 4.4Å; L163-A223 HydrophobicContact CD2-CB 4.22Å; L163-K262 WeakPolarHBondContact O-CE 3.46Å; L163-K262 PolarHBondContact O-NZ 3.22Å
164A95.4Very high94.8Very high1 Ų114.2 Ų14.21%0.00810%0.101CC..  trans-76.9-43-174.700000113.5G156 R162 F251 L259 F261G156-A164 WeakPolarHBondContact CA-O 3.42Å; G156-A164 PolarHBondContact N-O 2.92Å; R162-A164 PolarHBondContact O-N 3.2Å; A164-F251 HydrophobicContact CB-CD1 4.4Å; A164-F251 HydrophobicContact CB-CE1 4.45Å; A164-L259 HydrophobicContact CB-CB 4.38Å; A164-L259 HydrophobicContact CB-CD2 4.32Å; A164-L259 VanDerWaalsContact CB-O 3.22Å; A164-L259 WeakPolarHBondContact CB-O 3.37Å; A164-F261 HydrophobicContact CB-CD1 4.09Å; A164-F261 HydrophobicContact CB-CE1 4.16Å
165M97.8Very high94.9Very high0 Ų014.7 Ų14.70%011%0.105CC..SBendtrans-69.5141.4-179.8-61.7178.6-173.700110.6G155 G156 F168 N220 M244 V246 L259 L276 Y280 F283G155-M165 CarbonylContact C-O 3.35Å; G155-M165 WeakPolarHBondContact CA-O 3.28Å; G156-M165 PolarHBondContact N-O 2.81Å; G156-M165 VanDerWaalsContact N-O 3.17Å; M165-F168 HydrophobicContact CB-CE2 3.94Å; M165-F168 HydrophobicContact CB-CZ 3.77Å; M165-F168 HydrophobicContact SD-CZ 4.47Å; M165-N220 WeakPolarHBondContact CB-OD1 3.13Å; M165-N220 HydrophobicContact CE-CB 4.09Å; M165-N220 HydrophobicContact CG-CB 4.33Å; M165-N220 VanDerWaalsContact CG-OD1 3.25Å; M165-N220 WeakPolarHBondContact CG-OD1 3.44Å; M165-N220 PolarHBondContact N-OD1 2.94Å; M165-N220 HydrophobicContact SD-CB 3.7Å; M165-N220 VanDerWaalsContact SD-CG 3.57Å; M165-M244 HydrophobicContact SD-CE 3.33Å; M165-M244 WeakPolarHBondContact SD-CE 3.35Å; M165-V246 HydrophobicContact CE-CG1 4.3Å; M165-V246 HydrophobicContact CG-CB 4.39Å; M165-V246 HydrophobicContact CG-CG1 3.75Å; M165-V246 HydrophobicContact CG-CG2 4.47Å; M165-V246 HydrophobicContact SD-CG1 4.31Å; M165-V246 HydrophobicContact SD-CG2 4.26Å; M165-L259 HydrophobicContact CE-CD2 4.43Å; M165-L276 HydrophobicContact CE-CD1 4.47Å; M165-Y280 HydrophobicContact CE-CD1 4.31Å; M165-Y280 HydrophobicContact CE-CE1 3.54Å; M165-Y280 HydrophobicContact SD-CE1 4.33Å; M165-F283 HydrophobicContact CE-CE2 3.78Å; M165-F283 HydrophobicContact CE-CZ 4.49Å; M165-F283 HydrophobicContact SD-CE2 3.93Å
166Q97Very high95.1Very high3 Ų322.6 Ų22.61%0.01414%0.142CC..  trans-79.6-43.1-164.3-171.3167.6-100.400113.5S40 G155 H158 D245 A247S40-Q166 PolarHBondContact OG-NE2 2.87Å; S40-Q166 PolarHBondContact OG-OE1 3.03Å; G155-Q166 PolarHBondContact N-O 2.79Å; H158-Q166 HydrophobicContact CB-CG 4.44Å; H158-Q166 WeakPolarHBondContact ND1-CG 3.28Å; Q166-D245 PolarHBondContact N-O 3Å; Q166-D245 PolarHBondContact NE2-OD2 2.9Å; Q166-A247 HydrophobicContact CB-CB 3.79Å; Q166-A247 HydrophobicContact CG-CB 4.35Å
167E98.4Very high95.3Very high4 Ų424 Ų242%0.01915%0.152CC..EExtended strand (participates in β ladder)trans-138.5135.1-171.6-42.8-178.6165.900111.6N151 H158 M169 M244 D245 K394N151-E167 VanDerWaalsContact ND2-CG 3.32Å; N151-E167 WeakPolarHBondContact ND2-CG 3.43Å; N151-E167 WeakPolarHBondContact OD1-CB 3.24Å; H158-E167 IonicContact CE1-OE1 2.62Å; H158-E167 IonicContact ND1-OE1 3.45Å; E167-M169 HydrophobicContact CB-CG 4.38Å; E167-M244 WeakPolarHBondContact O-CA 3.3Å; E167-D245 HydrophobicContact CB-CB 3.82Å; E167-D245 HydrophobicContact CG-CB 3.76Å; E167-D245 PolarHBondContact N-O 3.28Å; E167-D245 PolarHBondContact O-N 3.12Å; E167-K394 IonicContact OE1-NZ 3.28Å; E167-K394 IonicContact OE2-NZ 3.9Å; E167-K394 PolarHBondContact OE2-NZ 3.1Å
168F98.8Very high95.7Very high0 Ų021.8 Ų21.80%014%0.136CC..EExtended strand (participates in β ladder)trans-121.3109.1169.7-60.4-104000108N151 V152 I153 L163 M165 N220 A223 L224 I227 M244N151-F168 PolarHBondContact OD1-N 3.27Å; V152-F168 WeakPolarHBondContact CG2-O 3.14Å; V152-F168 PolarHBondContact N-O 3.28Å; I153-F168 HydrophobicContact CB-CB 4.16Å; I153-F168 HydrophobicContact CB-CD2 4.38Å; I153-F168 HydrophobicContact CG2-CD2 4.3Å; I153-F168 PolarHBondContact N-O 3.33Å; I153-F168 PolarHBondContact O-N 2.8Å; L163-F168 HydrophobicContact CD1-CE2 4.13Å; L163-F168 HydrophobicContact CD1-CZ 4.04Å; L163-F168 HydrophobicContact CD2-CD2 4.06Å; L163-F168 HydrophobicContact CD2-CE2 3.42Å; L163-F168 VanDerWaalsContact CD2-CE2 3.42Å; L163-F168 HydrophobicContact CD2-CZ 4.14Å; L163-F168 HydrophobicContact CG-CE2 3.87Å; L163-F168 HydrophobicContact CG-CZ 4.27Å; M165-F168 HydrophobicContact CB-CE2 3.94Å; M165-F168 HydrophobicContact CB-CZ 3.77Å; M165-F168 HydrophobicContact SD-CZ 4.47Å; F168-N220 HydrophobicContact CE1-CB 4.37Å; F168-N220 WeakPolarHBondContact CE1-O 3.27Å; F168-N220 HydrophobicContact CZ-CB 4Å; F168-A223 HydrophobicContact CD1-CB 3.71Å; F168-A223 HydrophobicContact CD2-CB 4.01Å; F168-A223 HydrophobicContact CE1-CB 3.58Å; F168-A223 HydrophobicContact CE2-CB 3.93Å; F168-A223 HydrophobicContact CG-CB 3.93Å; F168-A223 HydrophobicContact CZ-CB 3.69Å; F168-L224 HydrophobicContact CD1-CD2 3.85Å; F168-L224 HydrophobicContact CD1-CG 4.09Å; F168-L224 HydrophobicContact CE1-CD2 4.27Å; F168-L224 HydrophobicContact CE1-CG 4.06Å; F168-I227 HydrophobicContact CB-CD1 3.41Å; F168-I227 VanDerWaalsContact CB-CD1 3.41Å; F168-I227 HydrophobicContact CG-CD1 4.39Å; F168-M244 HydrophobicContact CD1-CE 4.16Å; F168-M244 HydrophobicContact CE1-CE 3.66Å; F168-M244 HydrophobicContact CZ-CE 4.33Å
169M98.9Very high96.4Very high1 Ų129.3 Ų29.31%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-104.7148.9-169.2-64.6175.9-85.300112.2A149 F150 N151 E167 L171 I242 G243 D245 K394A149-M169 HydrophobicContact CB-CB 4.36Å; A149-M169 HydrophobicContact CB-SD 3.76Å; F150-M169 CarbonylContact O-C 3.56Å; F150-M169 WeakPolarHBondContact O-CA 3.46Å; N151-M169 HydrophobicContact CB-CG 4.1Å; E167-M169 HydrophobicContact CB-CG 4.38Å; M169-L171 HydrophobicContact CB-CD1 4.23Å; M169-I242 VanDerWaalsContact O-CA 3.3Å; M169-I242 WeakPolarHBondContact O-CA 3.32Å; M169-I242 WeakPolarHBondContact O-CG2 3.31Å; M169-G243 WeakPolarHBondContact CA-O 3.25Å; M169-G243 PolarHBondContact N-O 3.21Å; M169-G243 PolarHBondContact O-N 2.96Å; M169-D245 HydrophobicContact CE-CB 4.21Å; M169-K394 HydrophobicContact CE-CD 4.5Å; M169-K394 HydrophobicContact SD-CB 4.09Å; M169-K394 HydrophobicContact SD-CD 4.05Å
170V98.9Very high96.9Very high0 Ų029.5 Ų29.50%016%0.163CC..EExtended strand (participates in β ladder)trans-113.8136.2167.9-64.20000110.7F150 V152 L188 I227 V240 V241F150-V170 HydrophobicContact CB-CG2 3.9Å; F150-V170 HydrophobicContact CD2-CG2 4.25Å; F150-V170 PolarHBondContact N-O 2.83Å; F150-V170 PolarHBondContact O-N 2.96Å; V152-V170 HydrophobicContact CG1-CG2 3.75Å; V152-V170 HydrophobicContact CG2-CG1 3.9Å; V152-V170 HydrophobicContact CG2-CG2 4.29Å; V170-L188 HydrophobicContact CB-CD1 4.16Å; V170-L188 HydrophobicContact CG1-CD1 4.03Å; V170-L188 HydrophobicContact CG1-CD2 4.07Å; V170-L188 HydrophobicContact CG2-CD1 4.16Å; V170-L188 HydrophobicContact CG2-CD2 4.19Å; V170-I227 HydrophobicContact CG1-CG2 3.48Å; V170-I227 VanDerWaalsContact CG1-CG2 3.48Å; V170-V240 HydrophobicContact CB-CG1 3.76Å; V170-V240 HydrophobicContact CG1-CG1 4.24Å; V170-V241 WeakPolarHBondContact CA-O 3.33Å
171L98.9Very high97.5Very high0 Ų025.1 Ų25.10%012%0.117CC..EExtended strand (participates in β ladder)trans-122.6107.3-176.9-68.884.7000109.2V147 A149 M169 V173 V240 V241 G243 F428V147-L171 HydrophobicContact CG1-CB 3.95Å; V147-L171 HydrophobicContact CG1-CD2 4.4Å; V147-L171 HydrophobicContact CG1-CG 4.46Å; A149-L171 HydrophobicContact CB-CD1 4.08Å; A149-L171 HydrophobicContact CB-CD2 4.15Å; A149-L171 HydrophobicContact CB-CG 3.84Å; M169-L171 HydrophobicContact CB-CD1 4.23Å; L171-V173 HydrophobicContact CB-CG1 4.15Å; L171-V173 PolarHBondContact O-N 2.84Å; L171-V240 WeakPolarHBondContact O-CA 3.37Å; L171-V241 HydrophobicContact CB-CG2 3.83Å; L171-V241 PolarHBondContact N-O 3.16Å; L171-V241 PolarHBondContact O-N 3.38Å; L171-G243 VanDerWaalsContact CD1-N 3.3Å; L171-F428 HydrophobicContact CD2-CE2 4.39Å
172P98.8Very high98Very high0 Ų025.5 Ų25.50%012%0.119CC..  trans-76.765177.7-14.931.8000112.7P148 F150 G174 A175 A181 M184 K239 V240P148-P172 WeakPolarHBondContact O-CD 3.4Å; F150-P172 HydrophobicContact CD2-CG 4.26Å; F150-P172 HydrophobicContact CE2-CG 3.92Å; P172-G174 PolarHBondContact O-N 3.12Å; P172-A175 HydrophobicContact CB-CB 4.31Å; P172-A175 WeakPolarHBondContact O-CB 3.45Å; P172-A175 PolarHBondContact O-N 3.28Å; P172-A181 HydrophobicContact CB-CB 4Å; P172-A181 HydrophobicContact CG-CB 4.33Å; P172-A181 WeakPolarHBondContact CG-O 3.19Å; P172-M184 HydrophobicContact CB-CB 4.13Å; P172-M184 HydrophobicContact CB-SD 4.28Å; P172-M184 HydrophobicContact CG-CB 4.35Å; P172-K239 CarbonylContact C-O 3.53Å; P172-V240 HydrophobicContact CB-CG2 4.11Å; P172-V240 HydrophobicContact CG-CG2 4.39Å
173V98.8Very high98.3Very high5 Ų527 Ų273%0.0313%0.125CC..THydrogen-bonded Turntrans-64.7-23.6-176.8-65.10000114V147 L171 K239 V241 G425 H426 F428V147-V173 HydrophobicContact CG1-CG1 4.06Å; V147-V173 HydrophobicContact CG2-CG1 4.41Å; L171-V173 HydrophobicContact CB-CG1 4.15Å; L171-V173 PolarHBondContact O-N 2.84Å; V173-K239 PolarHBondContact N-O 3.15Å; V173-K239 VanDerWaalsContact N-O 3.12Å; V173-V241 HydrophobicContact CB-CG2 4.42Å; V173-V241 HydrophobicContact CG1-CG2 3.72Å; V173-V241 HydrophobicContact CG2-CB 4.49Å; V173-V241 HydrophobicContact CG2-CG1 3.95Å; V173-V241 HydrophobicContact CG2-CG2 3.78Å; V173-G425 CarbonylContact O-C 3.5Å; V173-G425 WeakPolarHBondContact O-CA 3.15Å; V173-H426 PolarHBondContact O-N 2.89Å; V173-F428 HydrophobicContact CG1-CD1 3.93Å; V173-F428 HydrophobicContact CG1-CE1 4.19Å
174G98.8Very high98.5Very high17 Ų1727 Ų2718%0.17513%0.125CC..THydrogen-bonded Turntrans-95.514.5177.900000114.6P172 K239P172-G174 PolarHBondContact O-N 3.12Å; G174-K239 PolarHBondContact N-O 2.89Å
175A98.8Very high98.6Very high10 Ų1027 Ų278%0.08313%0.125CC..  trans-73.6154.417200000111.6P172 D180 A181 M184 F423P172-A175 HydrophobicContact CB-CB 4.31Å; P172-A175 WeakPolarHBondContact O-CB 3.45Å; P172-A175 PolarHBondContact O-N 3.28Å; A175-D180 HydrophobicContact CB-CB 4.26Å; A175-A181 HydrophobicContact CB-CB 3.64Å; A175-M184 HydrophobicContact CB-SD 3.83Å; A175-F423 HydrophobicContact CB-CE1 3.92Å; A175-F423 HydrophobicContact CB-CZ 4.26Å; A175-F423 WeakPolarHBondContact O-CD1 3.18Å; A175-F423 WeakPolarHBondContact O-CE1 3.47Å
176E98.3Very high98.7Very high166 Ų16628.8 Ų28.878%0.77614%0.14SC*.SBendtrans-83.6-22.3-178-66.5178.4-176.400113.2D180E176-D180 PolarHBondContact N-OD2 3.27Å
177S98.8Very high98.8Very high33 Ų3332.8 Ų32.823%0.23116%0.158CC..SBendtrans-154.8170.7-178.497.90000109.9R179 D180 A181 E414S177-R179 PolarHBondContact OG-N 2.86Å; S177-D180 PolarHBondContact O-N 3.33Å; S177-D180 PolarHBondContact OG-N 2.97Å; S177-A181 WeakPolarHBondContact O-CB 3.47Å; S177-A181 PolarHBondContact O-N 3.46Å; S177-E414 WeakPolarHBondContact CB-OE1 3.31Å; S177-E414 PolarHBondContact OG-OE1 2.96Å
178F98.9Very high98.8Very high0 Ų032.6 Ų32.60%016%0.157CC..Hα-helixtrans-61.9-45.5173.5178.9-91.7000111.9L145 P146 P148 D180 A181 L182 Y407 L410 M411 E414 F423L145-F178 HydrophobicContact CB-CB 4.11Å; L145-F178 HydrophobicContact CD1-CB 4.22Å; L145-F178 HydrophobicContact CD1-CG 4.3Å; L145-F178 HydrophobicContact CG-CB 4.16Å; P146-F178 HydrophobicContact CG-CE2 4.49Å; P146-F178 WeakPolarHBondContact O-CD2 3.34Å; P148-F178 HydrophobicContact CB-CE2 4.19Å; P148-F178 HydrophobicContact CG-CE2 4.06Å; F178-D180 VanDerWaalsContact C-N 3.27Å; F178-D180 PolarHBondContact O-N 3.04Å; F178-A181 WeakPolarHBondContact O-CB 3.36Å; F178-A181 PolarHBondContact O-N 3.35Å; F178-A181 VanDerWaalsContact O-N 3.15Å; F178-L182 PolarHBondContact O-N 2.97Å; F178-Y407 WeakPolarHBondContact CE1-O 3.39Å; F178-Y407 HydrophobicContact CZ-CD1 4.05Å; F178-L410 HydrophobicContact CD1-CB 3.79Å; F178-L410 HydrophobicContact CD2-CB 4.32Å; F178-L410 HydrophobicContact CD2-CD1 4.48Å; F178-L410 HydrophobicContact CE1-CB 3.25Å; F178-L410 HydrophobicContact CE1-CD1 4.36Å; F178-L410 HydrophobicContact CE1-CG 4.42Å; F178-L410 HydrophobicContact CE2-CB 3.83Å; F178-L410 HydrophobicContact CE2-CD1 3.55Å; F178-L410 HydrophobicContact CE2-CG 4.26Å; F178-L410 HydrophobicContact CG-CB 4.31Å; F178-L410 HydrophobicContact CZ-CB 3.28Å; F178-L410 HydrophobicContact CZ-CD1 3.48Å; F178-L410 VanDerWaalsContact CZ-CD1 3.48Å; F178-L410 HydrophobicContact CZ-CG 4Å; F178-M411 HydrophobicContact CD1-CG 4Å; F178-M411 HydrophobicContact CE1-CG 3.87Å; F178-E414 WeakPolarHBondContact CB-OE1 3.47Å; F178-E414 PolarHBondContact N-OE1 2.99Å; F178-F423 HydrophobicContact CB-CD2 4.15Å; F178-F423 HydrophobicContact CB-CE2 4.45Å
179R98.8Very high98.8Very high166 Ų16633 Ų3363%0.62616%0.159SC*.Hα-helixtrans-57.2-40.3174.1179177.9180171.51.5112.4S177 L182 R183 M411 E414S177-R179 PolarHBondContact OG-N 2.86Å; R179-L182 PolarHBondContact O-N 2.88Å; R179-R183 PolarHBondContact O-N 3.24Å; R179-M411 HydrophobicContact CG-SD 4.28Å; R179-E414 WeakPolarHBondContact CB-OE2 3.33Å; R179-E414 PolarHBondContact N-OE2 2.9Å
180D98.9Very high98.8Very high19 Ų1937.9 Ų37.910%0.10218%0.182CC..Hα-helixtrans-67-42.2175.2-170.840.1000111.7A175 E176 S177 F178 L182 R183 M184A175-D180 HydrophobicContact CB-CB 4.26Å; E176-D180 PolarHBondContact N-OD2 3.27Å; S177-D180 PolarHBondContact O-N 3.33Å; S177-D180 PolarHBondContact OG-N 2.97Å; F178-D180 VanDerWaalsContact C-N 3.27Å; F178-D180 PolarHBondContact O-N 3.04Å; D180-L182 VanDerWaalsContact C-N 3.3Å; D180-L182 PolarHBondContact O-N 3.05Å; D180-R183 WeakPolarHBondContact O-CB 3.48Å; D180-R183 PolarHBondContact O-N 3.32Å; D180-R183 IonicContact OD1-CZ 2.72Å; D180-R183 IonicContact OD1-NE 2.91Å; D180-R183 PolarHBondContact OD1-NE 3.4Å; D180-R183 IonicContact OD1-NH2 2.73Å; D180-R183 PolarHBondContact OD1-NH2 3.37Å; D180-M184 WeakPolarHBondContact O-CG 3.24Å; D180-M184 PolarHBondContact O-N 2.78Å
181A98.9Very high98.8Very high0 Ų039.5 Ų39.50%019%0.192CC..Hα-helixtrans-58.7-42.5174.800000111.6P148 P172 A175 S177 F178 M184 G185 F423P148-A181 HydrophobicContact CG-CB 4.01Å; P172-A181 HydrophobicContact CB-CB 4Å; P172-A181 HydrophobicContact CG-CB 4.33Å; P172-A181 WeakPolarHBondContact CG-O 3.19Å; A175-A181 HydrophobicContact CB-CB 3.64Å; S177-A181 WeakPolarHBondContact O-CB 3.47Å; S177-A181 PolarHBondContact O-N 3.46Å; F178-A181 WeakPolarHBondContact O-CB 3.36Å; F178-A181 PolarHBondContact O-N 3.35Å; F178-A181 VanDerWaalsContact O-N 3.15Å; A181-M184 PolarHBondContact O-N 3.36Å; A181-G185 PolarHBondContact O-N 3.03Å; A181-F423 HydrophobicContact CB-CE2 4.06Å; A181-F423 HydrophobicContact CB-CZ 3.72Å
182L98.8Very high98.8Very high16 Ų1639.5 Ų39.58%0.08419%0.192CC..Hα-helixtrans-65.5-41176.9-174.262.5000112.3F150 F178 R179 D180 G185 A186 Y407 M411F150-L182 HydrophobicContact CE1-CD1 3.62Å; F150-L182 HydrophobicContact CZ-CD1 3.58Å; F178-L182 PolarHBondContact O-N 2.97Å; R179-L182 PolarHBondContact O-N 2.88Å; D180-L182 VanDerWaalsContact C-N 3.3Å; D180-L182 PolarHBondContact O-N 3.05Å; L182-G185 PolarHBondContact O-N 2.93Å; L182-A186 WeakPolarHBondContact O-CB 3.05Å; L182-A186 PolarHBondContact O-N 3.08Å; L182-Y407 HydrophobicContact CD1-CD1 4.49Å; L182-Y407 HydrophobicContact CD1-CD2 4.43Å; L182-Y407 HydrophobicContact CD1-CG 4.05Å; L182-M411 HydrophobicContact CD2-CE 3.57Å; L182-M411 HydrophobicContact CD2-CG 3.88Å; L182-M411 HydrophobicContact CD2-SD 3.57Å; L182-M411 VanDerWaalsContact CD2-SD 3.57Å
183R98.9Very high98.8Very high126 Ų12644 Ų4448%0.47521%0.209SC..Hα-helixtrans-57.3-52.5172.6175.2-171.668.7140.5-2.4110.7R179 D180 G185 A186 E187R179-R183 PolarHBondContact O-N 3.24Å; D180-R183 WeakPolarHBondContact O-CB 3.48Å; D180-R183 PolarHBondContact O-N 3.32Å; D180-R183 IonicContact OD1-CZ 2.72Å; D180-R183 IonicContact OD1-NE 2.91Å; D180-R183 PolarHBondContact OD1-NE 3.4Å; D180-R183 IonicContact OD1-NH2 2.73Å; D180-R183 PolarHBondContact OD1-NH2 3.37Å; R183-G185 VanDerWaalsContact C-N 3.34Å; R183-G185 PolarHBondContact O-N 3.02Å; R183-A186 PolarHBondContact O-N 2.87Å; R183-E187 HydrophobicContact CG-CG 4.4Å; R183-E187 VanDerWaalsContact CG-OE1 3.25Å; R183-E187 WeakPolarHBondContact CG-OE1 3.41Å; R183-E187 PolarHBondContact O-N 2.8Å
184M98.8Very high98.8Very high0 Ų047.3 Ų47.30%023%0.232CC..Hα-helixtrans-58.1-46.1-179.5-70.9-179.371.300111.7P172 A175 D180 A181 A186 E187 L188 F236 K239 V240P172-M184 HydrophobicContact CB-CB 4.13Å; P172-M184 HydrophobicContact CB-SD 4.28Å; P172-M184 HydrophobicContact CG-CB 4.35Å; A175-M184 HydrophobicContact CB-SD 3.83Å; D180-M184 WeakPolarHBondContact O-CG 3.24Å; D180-M184 PolarHBondContact O-N 2.78Å; A181-M184 PolarHBondContact O-N 3.36Å; M184-A186 PolarHBondContact O-N 2.9Å; M184-E187 PolarHBondContact O-N 2.96Å; M184-L188 VanDerWaalsContact O-CB 3.25Å; M184-L188 WeakPolarHBondContact O-CB 3.42Å; M184-L188 PolarHBondContact O-N 3.03Å; M184-F236 HydrophobicContact CB-CD2 4.34Å; M184-F236 HydrophobicContact CB-CE2 4.04Å; M184-F236 HydrophobicContact CB-CZ 4.2Å; M184-F236 HydrophobicContact CE-CB 3.87Å; M184-F236 HydrophobicContact CE-CD1 3.41Å; M184-F236 VanDerWaalsContact CE-CD1 3.41Å; M184-F236 HydrophobicContact CE-CD2 4.17Å; M184-F236 HydrophobicContact CE-CE1 3.93Å; M184-F236 HydrophobicContact CE-CG 3.56Å; M184-F236 HydrophobicContact CE-CZ 4.5Å; M184-F236 HydrophobicContact CG-CD1 4.39Å; M184-F236 HydrophobicContact CG-CE1 3.98Å; M184-F236 HydrophobicContact CG-CE2 4.21Å; M184-F236 HydrophobicContact CG-CZ 3.88Å; M184-K239 HydrophobicContact CE-CB 3.32Å; M184-K239 HydrophobicContact CE-CD 3.61Å; M184-K239 HydrophobicContact CE-CG 4.11Å; M184-K239 HydrophobicContact SD-CD 4.19Å; M184-V240 HydrophobicContact CE-CG2 3.78Å
185G98.8Very high98.8Very high0 Ų047 Ų470%023%0.227CC..Hα-helixtrans-59.9-42.717600000112.8A181 L182 R183 Y189A181-G185 PolarHBondContact O-N 3.03Å; L182-G185 PolarHBondContact O-N 2.93Å; R183-G185 VanDerWaalsContact C-N 3.34Å; R183-G185 PolarHBondContact O-N 3.02Å; G185-Y189 VanDerWaalsContact O-CB 3.25Å; G185-Y189 WeakPolarHBondContact O-CB 3.48Å; G185-Y189 PolarHBondContact O-N 3.24Å
186A98.8Very high98.8Very high38 Ų3846.5 Ų46.531%0.31422%0.223SC..Hα-helixtrans-68.4-44.2178.600000113L182 R183 M184 Y189 Q190 P398L182-A186 WeakPolarHBondContact O-CB 3.05Å; L182-A186 PolarHBondContact O-N 3.08Å; R183-A186 PolarHBondContact O-N 2.87Å; M184-A186 PolarHBondContact O-N 2.9Å; A186-Y189 PolarHBondContact O-N 3Å; A186-Q190 WeakPolarHBondContact O-CG 3.36Å; A186-Q190 PolarHBondContact O-N 2.56Å; A186-P398 HydrophobicContact CB-CB 4.33Å
187E98.8Very high98.7Very high87 Ų8743.1 Ų43.141%0.40721%0.206SC..Hα-helixtrans-63.5-42.8176.4-73.7178.2-164.300111.5R183 M184 Q190 T191 F236R183-E187 HydrophobicContact CG-CG 4.4Å; R183-E187 VanDerWaalsContact CG-OE1 3.25Å; R183-E187 WeakPolarHBondContact CG-OE1 3.41Å; R183-E187 PolarHBondContact O-N 2.8Å; M184-E187 PolarHBondContact O-N 2.96Å; E187-Q190 PolarHBondContact O-N 2.69Å; E187-T191 WeakPolarHBondContact O-CB 3.16Å; E187-T191 PolarHBondContact O-N 3.09Å; E187-T191 PolarHBondContact O-OG1 2.95Å; E187-F236 HydrophobicContact CB-CE2 4.03Å; E187-F236 HydrophobicContact CB-CZ 4.4Å; E187-F236 WeakPolarHBondContact OE2-CZ 3.46Å
188L98.8Very high98.7Very high0 Ų048.7 Ų48.70%023%0.228CC..Hα-helixtrans-61.6-46.4173.3-173.2165.8000110.9V170 M184 Q190 T191 L192 A230 I231 F236 V240V170-L188 HydrophobicContact CB-CD1 4.16Å; V170-L188 HydrophobicContact CG1-CD1 4.03Å; V170-L188 HydrophobicContact CG1-CD2 4.07Å; V170-L188 HydrophobicContact CG2-CD1 4.16Å; V170-L188 HydrophobicContact CG2-CD2 4.19Å; M184-L188 VanDerWaalsContact O-CB 3.25Å; M184-L188 WeakPolarHBondContact O-CB 3.42Å; M184-L188 PolarHBondContact O-N 3.03Å; L188-Q190 PolarHBondContact O-N 2.89Å; L188-T191 CarbonylContact O-C 3.58Å; L188-T191 WeakPolarHBondContact O-CA 3.36Å; L188-T191 WeakPolarHBondContact O-CB 3.49Å; L188-T191 PolarHBondContact O-N 2.87Å; L188-T191 VanDerWaalsContact O-N 3.1Å; L188-L192 HydrophobicContact CD2-CB 4.48Å; L188-L192 WeakPolarHBondContact O-CB 3.33Å; L188-L192 PolarHBondContact O-N 3.43Å; L188-A230 HydrophobicContact CD2-CB 4.33Å; L188-I231 HydrophobicContact CD1-CG1 3.53Å; L188-I231 HydrophobicContact CG-CG1 4.39Å; L188-F236 HydrophobicContact CB-CD2 4.46Å; L188-V240 HydrophobicContact CD1-CB 4.39Å; L188-V240 HydrophobicContact CD1-CG1 3.77Å; L188-V240 HydrophobicContact CD1-CG2 4.31Å
189Y98.9Very high98.6Very high9 Ų954 Ų544%0.03525%0.251CS..Hα-helixtrans-59.7-42179179.4-103.2000112.5V152 G185 A186 L192 R193 V207 G211 F213 A397 P398 C399V152-Y189 HydrophobicContact CB-CD2 4.15Å; V152-Y189 HydrophobicContact CG1-CD2 3.9Å; G185-Y189 VanDerWaalsContact O-CB 3.25Å; G185-Y189 WeakPolarHBondContact O-CB 3.48Å; G185-Y189 PolarHBondContact O-N 3.24Å; A186-Y189 PolarHBondContact O-N 3Å; Y189-L192 PolarHBondContact O-N 2.64Å; Y189-R193 PolarHBondContact O-N 3.37Å; Y189-V207 VanDerWaalsContact OH-CG1 3.23Å; Y189-V207 WeakPolarHBondContact OH-CG1 3.15Å; Y189-G211 PolarHBondContact OH-O 3.2Å; Y189-F213 HydrophobicContact CD1-CZ 4.28Å; Y189-F213 HydrophobicContact CD2-CD2 4.31Å; Y189-F213 AromaticContact CD2-CE2 3.61Å; Y189-F213 HydrophobicContact CD2-CE2 3.61Å; Y189-F213 HydrophobicContact CD2-CZ 4.08Å; Y189-F213 HydrophobicContact CE1-CE1 4.44Å; Y189-F213 HydrophobicContact CE1-CE2 4.24Å; Y189-F213 AromaticContact CE1-CZ 3.7Å; Y189-F213 HydrophobicContact CE1-CZ 3.7Å; Y189-F213 AromaticContact CE2-CD2 3.8Å; Y189-F213 HydrophobicContact CE2-CD2 3.8Å; Y189-F213 HydrophobicContact CE2-CE1 4.21Å; Y189-F213 AromaticContact CE2-CE2 3.26Å; Y189-F213 HydrophobicContact CE2-CE2 3.26Å; Y189-F213 HydrophobicContact CE2-CG 4.45Å; Y189-F213 AromaticContact CE2-CZ 3.47Å; Y189-F213 HydrophobicContact CE2-CZ 3.47Å; Y189-F213 VanDerWaalsContact CE2-CZ 3.47Å; Y189-F213 HydrophobicContact CG-CE2 4.23Å; Y189-F213 HydrophobicContact CG-CZ 4.44Å; Y189-F213 AromaticContact CZ-CE1 3.78Å; Y189-F213 AromaticContact CZ-CE2 3.6Å; Y189-F213 AromaticContact CZ-CZ 3.23Å; Y189-F213 WeakPolarHBondContact O-CE2 3.18Å; Y189-F213 WeakPolarHBondContact OH-CE1 3.35Å; Y189-F213 VanDerWaalsContact OH-CZ 3.32Å; Y189-F213 WeakPolarHBondContact OH-CZ 3.44Å; Y189-A397 HydrophobicContact CE2-CB 4.18Å; Y189-P398 HydrophobicContact CD1-CG 4.13Å; Y189-P398 HydrophobicContact CD2-CG 4.41Å; Y189-P398 HydrophobicContact CG-CG 3.8Å; Y189-C399 HydrophobicContact CE1-CB 3.87Å
190Q98.8Very high98.5Very high103 Ų10349.2 Ų49.248%0.48123%0.234SC..Hα-helixtrans-67.9-35.5174-64.3-57-31.500112.5A186 E187 L188 R193 S194A186-Q190 WeakPolarHBondContact O-CG 3.36Å; A186-Q190 PolarHBondContact O-N 2.56Å; E187-Q190 PolarHBondContact O-N 2.69Å; L188-Q190 PolarHBondContact O-N 2.89Å; Q190-R193 VanDerWaalsContact O-CB 3.32Å; Q190-R193 WeakPolarHBondContact O-CB 3.38Å; Q190-R193 PolarHBondContact O-N 2.82Å; Q190-S194 PolarHBondContact O-N 3.38Å
191T98.8Very high98.4Very high35 Ų3549.8 Ų49.822%0.21524%0.243CC..Hα-helixtrans-64.9-45.2174.6-59.40000111E187 L188 R193 S194 V195 A230 K233 A234E187-T191 WeakPolarHBondContact O-CB 3.16Å; E187-T191 PolarHBondContact O-N 3.09Å; E187-T191 PolarHBondContact O-OG1 2.95Å; L188-T191 CarbonylContact O-C 3.58Å; L188-T191 WeakPolarHBondContact O-CA 3.36Å; L188-T191 WeakPolarHBondContact O-CB 3.49Å; L188-T191 PolarHBondContact O-N 2.87Å; L188-T191 VanDerWaalsContact O-N 3.1Å; T191-R193 VanDerWaalsContact C-N 3.3Å; T191-R193 PolarHBondContact O-N 2.72Å; T191-S194 WeakPolarHBondContact O-CB 3.43Å; T191-S194 PolarHBondContact O-N 2.92Å; T191-S194 VanDerWaalsContact O-N 3.1Å; T191-V195 WeakPolarHBondContact O-CG2 3.32Å; T191-V195 PolarHBondContact O-N 3Å; T191-A230 HydrophobicContact CG2-CB 4.42Å; T191-K233 HydrophobicContact CG2-CB 3.65Å; T191-A234 HydrophobicContact CG2-CB 4.37Å
192L98.8Very high98.3Very high0 Ų053.6 Ų53.60%026%0.262CS..Hα-helixtrans-59.8-40.1175.6179.963000111.5V152 I153 L188 Y189 S194 V195 I196 F213 L226 I227 A230V152-L192 HydrophobicContact CB-CD2 3.76Å; V152-L192 HydrophobicContact CG2-CD2 3.78Å; I153-L192 HydrophobicContact CD1-CD1 4.36Å; I153-L192 HydrophobicContact CD1-CD2 4.3Å; I153-L192 HydrophobicContact CG1-CD2 3.88Å; L188-L192 HydrophobicContact CD2-CB 4.48Å; L188-L192 WeakPolarHBondContact O-CB 3.33Å; L188-L192 PolarHBondContact O-N 3.43Å; Y189-L192 PolarHBondContact O-N 2.64Å; L192-S194 VanDerWaalsContact C-N 3.28Å; L192-S194 PolarHBondContact O-N 2.91Å; L192-V195 PolarHBondContact O-N 3.05Å; L192-I196 HydrophobicContact CD1-CD1 3.92Å; L192-I196 HydrophobicContact CD1-CG1 4.07Å; L192-I196 HydrophobicContact CD2-CD1 4.39Å; L192-I196 HydrophobicContact CG-CD1 3.8Å; L192-I196 HydrophobicContact CG-CG1 4.34Å; L192-I196 WeakPolarHBondContact O-CB 3.32Å; L192-I196 WeakPolarHBondContact O-CG1 3.32Å; L192-I196 PolarHBondContact O-N 2.97Å; L192-F213 HydrophobicContact CB-CE2 4.33Å; L192-F213 HydrophobicContact CD2-CD2 3.94Å; L192-F213 HydrophobicContact CD2-CE2 4.32Å; L192-F213 HydrophobicContact CG-CD2 4Å; L192-F213 HydrophobicContact CG-CE2 4.22Å; L192-L226 HydrophobicContact CD1-CB 4.07Å; L192-I227 HydrophobicContact CD2-CG1 4.38Å; L192-A230 HydrophobicContact CB-CB 3.76Å; L192-A230 HydrophobicContact CD1-CB 3.88Å; L192-A230 HydrophobicContact CG-CB 4.41Å
193R98.7Very high98.1Very high94 Ų9459.4 Ų59.436%0.35529%0.292SS..Hα-helixtrans-54-46.7173.1-166.4174.3170.7-116.80111.9Y189 Q190 T191 K197 T205 F213Y189-R193 PolarHBondContact O-N 3.37Å; Q190-R193 VanDerWaalsContact O-CB 3.32Å; Q190-R193 WeakPolarHBondContact O-CB 3.38Å; Q190-R193 PolarHBondContact O-N 2.82Å; T191-R193 VanDerWaalsContact C-N 3.3Å; T191-R193 PolarHBondContact O-N 2.72Å; R193-K197 VanDerWaalsContact O-CB 3.22Å; R193-K197 WeakPolarHBondContact O-CB 3.36Å; R193-K197 PolarHBondContact O-N 3.18Å; R193-T205 HydrophobicContact CG-CG2 3.92Å; R193-T205 WeakPolarHBondContact O-CG2 3.4Å; R193-F213 HydrophobicContact CB-CE1 3.99Å; R193-F213 HydrophobicContact CB-CE2 3.83Å; R193-F213 HydrophobicContact CB-CZ 3.33Å; R193-F213 HydrophobicContact CG-CE1 3.67Å; R193-F213 HydrophobicContact CG-CE2 4.42Å; R193-F213 HydrophobicContact CG-CZ 3.55Å
194S98.6Very high97.9Very high74 Ų7453.8 Ų53.852%0.51727%0.273SS..Hα-helixtrans-65.8-42.9178.7-69.40000112Q190 T191 L192 K197 E198Q190-S194 PolarHBondContact O-N 3.38Å; T191-S194 WeakPolarHBondContact O-CB 3.43Å; T191-S194 PolarHBondContact O-N 2.92Å; T191-S194 VanDerWaalsContact O-N 3.1Å; L192-S194 VanDerWaalsContact C-N 3.28Å; L192-S194 PolarHBondContact O-N 2.91Å; S194-K197 PolarHBondContact O-N 3.19Å; S194-E198 VanDerWaalsContact O-CB 3.31Å; S194-E198 WeakPolarHBondContact O-CB 3.35Å; S194-E198 PolarHBondContact O-N 3.36Å
195V98.6Very high97.8Very high10 Ų1054.2 Ų54.26%0.06128%0.276CS..Hα-helixtrans-60.2-47.9176.4172.70000111.3T191 L192 E198 K199 L226 T229 K233T191-V195 WeakPolarHBondContact O-CG2 3.32Å; T191-V195 PolarHBondContact O-N 3Å; L192-V195 PolarHBondContact O-N 3.05Å; V195-E198 PolarHBondContact O-N 3.01Å; V195-K199 PolarHBondContact O-N 3.45Å; V195-K199 VanDerWaalsContact O-N 3.11Å; V195-L226 HydrophobicContact CG1-CD2 3.79Å; V195-T229 HydrophobicContact CG1-CG2 4.14Å; V195-T229 HydrophobicContact CG2-CG2 4.22Å; V195-K233 HydrophobicContact CG2-CD 3.74Å
196I98.4Very high97.7Very high0 Ų059.3 Ų59.30%030%0.303CS..Hα-helixtrans-64.5-44.9178.4-69.2172.6000110.5I153 L192 E198 K199 Y200 A204 T205 F213 P215 L226I153-I196 HydrophobicContact CD1-CD1 4.44Å; I153-I196 HydrophobicContact CG1-CD1 4.46Å; L192-I196 HydrophobicContact CD1-CD1 3.92Å; L192-I196 HydrophobicContact CD1-CG1 4.07Å; L192-I196 HydrophobicContact CD2-CD1 4.39Å; L192-I196 HydrophobicContact CG-CD1 3.8Å; L192-I196 HydrophobicContact CG-CG1 4.34Å; L192-I196 WeakPolarHBondContact O-CB 3.32Å; L192-I196 WeakPolarHBondContact O-CG1 3.32Å; L192-I196 PolarHBondContact O-N 2.97Å; I196-E198 VanDerWaalsContact C-N 3.31Å; I196-E198 PolarHBondContact O-N 3.12Å; I196-K199 PolarHBondContact O-N 3.08Å; I196-Y200 HydrophobicContact CG2-CD2 4.19Å; I196-Y200 PolarHBondContact O-N 3.49Å; I196-A204 HydrophobicContact CG2-CB 3.74Å; I196-A204 WeakPolarHBondContact CG2-O 3.33Å; I196-T205 HydrophobicContact CB-CG2 4.32Å; I196-T205 HydrophobicContact CG2-CG2 4Å; I196-F213 HydrophobicContact CD1-CB 3.56Å; I196-F213 HydrophobicContact CD1-CD2 3.68Å; I196-F213 HydrophobicContact CD1-CG 3.8Å; I196-P215 HydrophobicContact CD1-CG 4.31Å; I196-P215 HydrophobicContact CG2-CB 4.04Å; I196-L226 HydrophobicContact CG1-CD1 4.34Å
197K98.3Very high97.7Very high96 Ų9660 Ų6042%0.41730%0.304SS..Hα-helixtrans-59.9-42178.4-178.8172173168.60112.3R193 S194 G201 Q202 T205R193-K197 VanDerWaalsContact O-CB 3.22Å; R193-K197 WeakPolarHBondContact O-CB 3.36Å; R193-K197 PolarHBondContact O-N 3.18Å; S194-K197 PolarHBondContact O-N 3.19Å; K197-G201 CarbonylContact O-C 3.58Å; K197-G201 WeakPolarHBondContact O-CA 3.05Å; K197-G201 PolarHBondContact O-N 2.96Å; K197-Q202 VanDerWaalsContact CD-OE1 3.32Å; K197-T205 HydrophobicContact CB-CG2 3.74Å
198E97.9Very high97.4Very high149 Ų14956.3 Ų56.370%0.69629%0.289SS*.Hα-helixtrans-64.3-42.4178.7-174.6179.8179.900111.2S194 V195 I196 K233S194-E198 VanDerWaalsContact O-CB 3.31Å; S194-E198 WeakPolarHBondContact O-CB 3.35Å; S194-E198 PolarHBondContact O-N 3.36Å; V195-E198 PolarHBondContact O-N 3.01Å; I196-E198 VanDerWaalsContact C-N 3.31Å; I196-E198 PolarHBondContact O-N 3.12Å; E198-K233 IonicContact OE2-NZ 3.61Å; E198-K233 PolarHBondContact OE2-NZ 2.73Å
199K97.6Very high97.1Very high113 Ų11358.6 Ų58.649%0.49130%0.301SS..Hα-helixtrans-84.1-39.9-174.9-167.6175.6174.6-161.20114.3V195 I196 E222 L226V195-K199 PolarHBondContact O-N 3.45Å; V195-K199 VanDerWaalsContact O-N 3.11Å; I196-K199 PolarHBondContact O-N 3.08Å; K199-E222 IonicContact NZ-OE1 2.91Å; K199-E222 PolarHBondContact NZ-OE1 2.89Å; K199-L226 HydrophobicContact CD-CD2 4.06Å
200Y96.5Very high97Very high65 Ų6558.3 Ų58.326%0.25530%0.3SS..Hα-helixtrans-120.70.6-172.5-52.9-79.8000114.3I196 P215 I217 E222 L226I196-Y200 HydrophobicContact CG2-CD2 4.19Å; I196-Y200 PolarHBondContact O-N 3.49Å; Y200-P215 HydrophobicContact CD2-CB 4.34Å; Y200-I217 HydrophobicContact CD1-CG2 4.49Å; Y200-I217 HydrophobicContact CE1-CG2 3.7Å; Y200-I217 HydrophobicContact CE2-CG2 4.07Å; Y200-I217 VanDerWaalsContact CZ-CG2 3.45Å; Y200-I217 WeakPolarHBondContact OH-CG2 3.46Å; Y200-E222 VanDerWaalsContact OH-CG 3.24Å; Y200-E222 WeakPolarHBondContact OH-CG 3.29Å; Y200-E222 PolarHBondContact OH-OE1 2.97Å; Y200-L226 HydrophobicContact CE2-CD1 3.74Å; Y200-L226 HydrophobicContact CE2-CD2 3.89Å; Y200-L226 HydrophobicContact CE2-CG 4.4Å
201G96.8Very high96.9Very high30 Ų3053.4 Ų53.431%0.30928%0.277SS..  trans87.5173.3179.600000114.5K197 D203 A204K197-G201 CarbonylContact O-C 3.58Å; K197-G201 WeakPolarHBondContact O-CA 3.05Å; K197-G201 PolarHBondContact O-N 2.96Å; G201-D203 VanDerWaalsContact C-N 3.3Å; G201-D203 PolarHBondContact O-N 3.37Å; G201-A204 PolarHBondContact O-N 3.37Å
202Q95.9Very high96.9Very high81 Ų8151.8 Ų51.838%0.37927%0.267SS..G310 helixtrans-60.2-37.3-173.9178.958.657.400112.9K197 A204 T205K197-Q202 VanDerWaalsContact CD-OE1 3.32Å; Q202-A204 PolarHBondContact O-N 3.33Å; Q202-T205 PolarHBondContact NE2-OG1 3.42Å; Q202-T205 PolarHBondContact O-N 3.05Å; Q202-T205 VanDerWaalsContact O-N 3.09Å; Q202-T205 PolarHBondContact O-OG1 2.81Å
203D94.5Very high96.9Very high137 Ų13751.9 Ų51.973%0.73327%0.267SS*.G310 helixtrans-69-23.4-174.6-59.1-30000112.8G201 T205 N206G201-D203 VanDerWaalsContact C-N 3.3Å; G201-D203 PolarHBondContact O-N 3.37Å; D203-T205 PolarHBondContact O-N 2.98Å; D203-N206 PolarHBondContact O-ND2 2.76Å
204A95.4Very high96.8Very high9 Ų948.6 Ų48.67%0.07426%0.26CS..G310 helixtrans-74.9-6.3174.900000113.6I196 G201 Q202 P215I196-A204 HydrophobicContact CG2-CB 3.74Å; I196-A204 WeakPolarHBondContact CG2-O 3.33Å; G201-A204 PolarHBondContact O-N 3.37Å; Q202-A204 PolarHBondContact O-N 3.33Å; A204-P215 HydrophobicContact CB-CB 4.26Å
205T96.8Very high96.6Very high9 Ų945.1 Ų45.16%0.05524%0.236CC..G310 helixtrans-98.411.1178.366.90000114.1R193 I196 K197 Q202 D203 F213R193-T205 HydrophobicContact CG-CG2 3.92Å; R193-T205 WeakPolarHBondContact O-CG2 3.4Å; I196-T205 HydrophobicContact CB-CG2 4.32Å; I196-T205 HydrophobicContact CG2-CG2 4Å; K197-T205 HydrophobicContact CB-CG2 3.74Å; Q202-T205 PolarHBondContact NE2-OG1 3.42Å; Q202-T205 PolarHBondContact O-N 3.05Å; Q202-T205 VanDerWaalsContact O-N 3.09Å; Q202-T205 PolarHBondContact O-OG1 2.81Å; D203-T205 PolarHBondContact O-N 2.98Å; T205-F213 WeakPolarHBondContact O-CD1 3.42Å
206N96.9Very high96.2Very high106 Ų10650.3 Ų50.357%0.56726%0.263SS*.  trans-66.8156.8163.2-66.8-47.3000109.8D203 F213 A214D203-N206 PolarHBondContact O-ND2 2.76Å; N206-F213 WeakPolarHBondContact O-CA 3.03Å; N206-A214 PolarHBondContact O-N 2.7Å
207V97.2Very high95.9Very high54 Ų5450.5 Ų50.533%0.32726%0.264SS..BIsolated β-bridgetrans-108.4148.3-174.3-60.30000111.8Y189 G211 G212 F213Y189-V207 VanDerWaalsContact OH-CG1 3.23Å; Y189-V207 WeakPolarHBondContact OH-CG1 3.15Å; V207-G211 WeakPolarHBondContact CG1-O 3.32Å; V207-G212 CarbonylContact C-O 3.49Å; V207-G212 WeakPolarHBondContact CA-O 3.42Å; V207-G212 WeakPolarHBondContact CB-O 3.3Å; V207-F213 HydrophobicContact CG1-CD1 4.21Å; V207-F213 HydrophobicContact CG1-CE1 4.3Å
208G93.9Very high95.4Very high9 Ų949.5 Ų49.59%0.09326%0.261CS..  trans-77.7-167.4170.900000112.9E210 G211 G212G208-E210 PolarHBondContact O-N 3.39Å; G208-G211 PolarHBondContact O-N 2.72Å; G208-G212 PolarHBondContact N-O 3.49Å
209D91.8Very high95.2Very high48 Ų4847.7 Ų47.726%0.25725%0.253SS..THydrogen-bonded Turntrans-58.2-32.3-178-80.4-6.3000112.8R15 H158 R400 R403R15-D209 WeakPolarHBondContact CD-OD2 3.49Å; H158-D209 PolarHBondContact O-N 2.82Å; D209-R400 PolarHBondContact O-NE 2.97Å; D209-R403 PolarHBondContact O-NH2 3.04Å
210E96.4Very high95Very high3 Ų342.7 Ų42.71%0.01423%0.231CC..THydrogen-bonded Turntrans-103.98.7-174.2-57.8-168.7168.200114.3N151 H158 G208 G212 H371 S373 A397N151-E210 PolarHBondContact ND2-OE2 3.12Å; H158-E210 IonicContact CE1-OE1 3.79Å; H158-E210 PolarHBondContact CE1-OE1 3.22Å; H158-E210 VanDerWaalsContact CE1-OE1 3.26Å; H158-E210 IonicContact ND1-OE1 3.24Å; G208-E210 PolarHBondContact O-N 3.39Å; E210-G212 VanDerWaalsContact C-N 3.33Å; E210-H371 IonicContact OE1-CE1 2.7Å; E210-H371 IonicContact OE1-NE2 3.82Å; E210-H371 PolarHBondContact OE1-NE2 3.03Å; E210-H371 IonicContact OE2-CE1 3.95Å; E210-H371 PolarHBondContact OE2-CE1 3.4Å; E210-H371 VanDerWaalsContact OE2-CE1 3.32Å; E210-H371 IonicContact OE2-NE2 3.99Å; E210-H371 PolarHBondContact OE2-NE2 3.04Å; E210-S373 WeakPolarHBondContact OE1-CA 3.48Å; E210-S373 WeakPolarHBondContact OE1-CB 3.5Å; E210-A397 WeakPolarHBondContact O-CB 3.32Å; E210-A397 PolarHBondContact O-N 3.09Å
211G97.8Very high95Very high0 Ų041.7 Ų41.70%023%0.234CC..SBendtrans85.4-2.3175.500000114.6Y189 V207 G208 A397Y189-G211 PolarHBondContact OH-O 3.2Å; V207-G211 WeakPolarHBondContact CG1-O 3.32Å; G208-G211 PolarHBondContact O-N 2.72Å; G211-A397 VanDerWaalsContact O-CB 3.31Å; G211-A397 WeakPolarHBondContact O-CB 3.33Å
212G98.3Very high95.1Very high0 Ų042.8 Ų42.80%023%0.231CC..  trans-73.1156.7170.300000111.2N151 V152 N154 V207 G208 E210N151-G212 WeakPolarHBondContact O-CA 3.36Å; V152-G212 CarbonylContact O-C 3.57Å; V152-G212 WeakPolarHBondContact O-CA 3.41Å; N154-G212 WeakPolarHBondContact OD1-CA 3.33Å; N154-G212 PolarHBondContact OD1-N 2.78Å; N154-G212 PolarHBondContact OD1-O 2.64Å; N154-G212 VanDerWaalsContact OD1-O 3.12Å; V207-G212 CarbonylContact C-O 3.49Å; V207-G212 WeakPolarHBondContact CA-O 3.42Å; V207-G212 WeakPolarHBondContact CB-O 3.3Å; G208-G212 PolarHBondContact N-O 3.49Å; E210-G212 VanDerWaalsContact C-N 3.33Å
213F98.5Very high95.2Very high2 Ų239 Ų391%0.00921%0.213CC..BIsolated β-bridgetrans-68.6147.8177.7-61.2-63.8000111.4V152 I153 N154 Y189 L192 R193 I196 T205 N206 V207 P215V152-F213 PolarHBondContact O-N 3.39Å; I153-F213 CarbonylContact C-O 3.49Å; I153-F213 WeakPolarHBondContact CA-O 3.42Å; N154-F213 PolarHBondContact N-O 3.16Å; Y189-F213 HydrophobicContact CD1-CZ 4.28Å; Y189-F213 HydrophobicContact CD2-CD2 4.31Å; Y189-F213 AromaticContact CD2-CE2 3.61Å; Y189-F213 HydrophobicContact CD2-CE2 3.61Å; Y189-F213 HydrophobicContact CD2-CZ 4.08Å; Y189-F213 HydrophobicContact CE1-CE1 4.44Å; Y189-F213 HydrophobicContact CE1-CE2 4.24Å; Y189-F213 AromaticContact CE1-CZ 3.7Å; Y189-F213 HydrophobicContact CE1-CZ 3.7Å; Y189-F213 AromaticContact CE2-CD2 3.8Å; Y189-F213 HydrophobicContact CE2-CD2 3.8Å; Y189-F213 HydrophobicContact CE2-CE1 4.21Å; Y189-F213 AromaticContact CE2-CE2 3.26Å; Y189-F213 HydrophobicContact CE2-CE2 3.26Å; Y189-F213 HydrophobicContact CE2-CG 4.45Å; Y189-F213 AromaticContact CE2-CZ 3.47Å; Y189-F213 HydrophobicContact CE2-CZ 3.47Å; Y189-F213 VanDerWaalsContact CE2-CZ 3.47Å; Y189-F213 HydrophobicContact CG-CE2 4.23Å; Y189-F213 HydrophobicContact CG-CZ 4.44Å; Y189-F213 AromaticContact CZ-CE1 3.78Å; Y189-F213 AromaticContact CZ-CE2 3.6Å; Y189-F213 AromaticContact CZ-CZ 3.23Å; Y189-F213 WeakPolarHBondContact O-CE2 3.18Å; Y189-F213 WeakPolarHBondContact OH-CE1 3.35Å; Y189-F213 VanDerWaalsContact OH-CZ 3.32Å; Y189-F213 WeakPolarHBondContact OH-CZ 3.44Å; L192-F213 HydrophobicContact CB-CE2 4.33Å; L192-F213 HydrophobicContact CD2-CD2 3.94Å; L192-F213 HydrophobicContact CD2-CE2 4.32Å; L192-F213 HydrophobicContact CG-CD2 4Å; L192-F213 HydrophobicContact CG-CE2 4.22Å; R193-F213 HydrophobicContact CB-CE1 3.99Å; R193-F213 HydrophobicContact CB-CE2 3.83Å; R193-F213 HydrophobicContact CB-CZ 3.33Å; R193-F213 HydrophobicContact CG-CE1 3.67Å; R193-F213 HydrophobicContact CG-CE2 4.42Å; R193-F213 HydrophobicContact CG-CZ 3.55Å; I196-F213 HydrophobicContact CD1-CB 3.56Å; I196-F213 HydrophobicContact CD1-CD2 3.68Å; I196-F213 HydrophobicContact CD1-CG 3.8Å; T205-F213 WeakPolarHBondContact O-CD1 3.42Å; N206-F213 WeakPolarHBondContact O-CA 3.03Å; V207-F213 HydrophobicContact CG1-CD1 4.21Å; V207-F213 HydrophobicContact CG1-CE1 4.3Å; F213-P215 WeakPolarHBondContact O-CD 3.25Å
214A96.5Very high95.4Very high26 Ų2632.4 Ų32.422%0.21518%0.178CC..  trans-116.563.2177.800000111.5A159 N206A159-A214 HydrophobicContact CB-CB 3.78Å; N206-A214 PolarHBondContact O-N 2.7Å
215P94.8Very high95.5Very high0 Ų035.5 Ų35.50%019%0.191CC..  trans-64.1149.6177.329.6-33.9000110.4I153 N161 I196 Y200 A204 F213 I217I153-P215 HydrophobicContact CG2-CG 4.19Å; N161-P215 VanDerWaalsContact CB-O 3.27Å; N161-P215 WeakPolarHBondContact CB-O 3.07Å; N161-P215 PolarHBondContact ND2-O 2.93Å; I196-P215 HydrophobicContact CD1-CG 4.31Å; I196-P215 HydrophobicContact CG2-CB 4.04Å; Y200-P215 HydrophobicContact CD2-CB 4.34Å; A204-P215 HydrophobicContact CB-CB 4.26Å; F213-P215 WeakPolarHBondContact O-CD 3.25Å; P215-I217 HydrophobicContact CB-CG2 4.3Å; P215-I217 HydrophobicContact CG-CD1 3.97Å; P215-I217 HydrophobicContact CG-CG1 4.08Å; P215-I217 PolarHBondContact O-N 3.28Å
216N89.8Confident95.6Very high120 Ų12035.3 Ų35.364%0.64219%0.189SC*.  trans-81.166.2178.5-169.830.5000111.1
217I91.7Very high95.7Very high3 Ų330.2 Ų30.22%0.01516%0.162CC..  trans-106.4152.8175.758.2176.8000109.8L163 Y200 P215 E222 A223 L226L163-I217 HydrophobicContact CB-CG1 4.37Å; L163-I217 HydrophobicContact CD1-CD1 4.17Å; L163-I217 HydrophobicContact CD1-CG1 4.16Å; L163-I217 HydrophobicContact CD2-CD1 4.03Å; L163-I217 HydrophobicContact CD2-CG1 4.15Å; L163-I217 HydrophobicContact CG-CG1 4.5Å; L163-I217 PolarHBondContact N-O 2.72Å; Y200-I217 HydrophobicContact CD1-CG2 4.49Å; Y200-I217 HydrophobicContact CE1-CG2 3.7Å; Y200-I217 HydrophobicContact CE2-CG2 4.07Å; Y200-I217 VanDerWaalsContact CZ-CG2 3.45Å; Y200-I217 WeakPolarHBondContact OH-CG2 3.46Å; P215-I217 HydrophobicContact CB-CG2 4.3Å; P215-I217 HydrophobicContact CG-CD1 3.97Å; P215-I217 HydrophobicContact CG-CG1 4.08Å; P215-I217 PolarHBondContact O-N 3.28Å; I217-E222 HydrophobicContact CB-CG 4.49Å; I217-E222 HydrophobicContact CG2-CG 4.06Å; I217-E222 WeakPolarHBondContact CG2-OE2 3.15Å; I217-A223 HydrophobicContact CD1-CB 3.65Å; I217-L226 HydrophobicContact CD1-CD1 4.28Å
218Q88.4Confident95.7Very high76 Ų7630.9 Ų30.936%0.35516%0.161SC..  trans-106.6-44.1178-178.2177.5-23.100111.1R162R162-Q218 HydrophobicContact CB-CB 4.19Å; R162-Q218 HydrophobicContact CB-CG 4.3Å
219E93.3Very high95.9Very high111 Ų11132.1 Ų32.152%0.51917%0.167SC..  trans-80.7128.9-175-63.6-60.9154.600111.9S221 E222E219-S221 VanDerWaalsContact C-N 3.28Å; E219-S221 PolarHBondContact O-N 2.92Å; E219-E222 HydrophobicContact CB-CB 4.18Å; E219-E222 VanDerWaalsContact O-CB 3.31Å; E219-E222 WeakPolarHBondContact O-CB 3.38Å; E219-E222 PolarHBondContact O-N 2.93Å; E219-E222 VanDerWaalsContact O-N 3.07Å
220N94.4Very high96.3Very high7 Ų729.9 Ų29.94%0.03716%0.155CC..Hα-helixtrans-65.6-31.6179.2-57.7-68.7000112.6L163 M165 F168 E222 A223 L224 F283L163-N220 HydrophobicContact CD1-CB 4.33Å; L163-N220 VanDerWaalsContact CD1-OD1 3.26Å; L163-N220 WeakPolarHBondContact CD1-OD1 3.33Å; M165-N220 WeakPolarHBondContact CB-OD1 3.13Å; M165-N220 HydrophobicContact CE-CB 4.09Å; M165-N220 HydrophobicContact CG-CB 4.33Å; M165-N220 VanDerWaalsContact CG-OD1 3.25Å; M165-N220 WeakPolarHBondContact CG-OD1 3.44Å; M165-N220 PolarHBondContact N-OD1 2.94Å; M165-N220 HydrophobicContact SD-CB 3.7Å; M165-N220 VanDerWaalsContact SD-CG 3.57Å; F168-N220 HydrophobicContact CE1-CB 4.37Å; F168-N220 WeakPolarHBondContact CE1-O 3.27Å; F168-N220 HydrophobicContact CZ-CB 4Å; N220-E222 PolarHBondContact O-N 3.03Å; N220-A223 WeakPolarHBondContact O-CB 3.46Å; N220-A223 PolarHBondContact O-N 3.5Å; N220-L224 PolarHBondContact O-N 2.96Å; N220-F283 HydrophobicContact CB-CE2 4.07Å; N220-F283 HydrophobicContact CB-CZ 3.85Å
221S96.5Very high96.4Very high44 Ų4430 Ų3031%0.30816%0.155SC..Hα-helixtrans-63.4-29.9173.1530000112.6E219 A223 L224 E225E219-S221 VanDerWaalsContact C-N 3.28Å; E219-S221 PolarHBondContact O-N 2.92Å; S221-A223 VanDerWaalsContact C-N 3.34Å; S221-L224 PolarHBondContact O-N 2.87Å; S221-E225 WeakPolarHBondContact O-CB 3.49Å; S221-E225 PolarHBondContact O-N 2.7Å
222E97.5Very high96.4Very high54 Ų5434.7 Ų34.725%0.25218%0.177SC..Hα-helixtrans-68.3-35.7177.9-171.7166-150.800111.6K199 Y200 I217 E219 N220 E225 L226K199-E222 IonicContact NZ-OE1 2.91Å; K199-E222 PolarHBondContact NZ-OE1 2.89Å; Y200-E222 VanDerWaalsContact OH-CG 3.24Å; Y200-E222 WeakPolarHBondContact OH-CG 3.29Å; Y200-E222 PolarHBondContact OH-OE1 2.97Å; I217-E222 HydrophobicContact CB-CG 4.49Å; I217-E222 HydrophobicContact CG2-CG 4.06Å; I217-E222 WeakPolarHBondContact CG2-OE2 3.15Å; E219-E222 HydrophobicContact CB-CB 4.18Å; E219-E222 VanDerWaalsContact O-CB 3.31Å; E219-E222 WeakPolarHBondContact O-CB 3.38Å; E219-E222 PolarHBondContact O-N 2.93Å; E219-E222 VanDerWaalsContact O-N 3.07Å; N220-E222 PolarHBondContact O-N 3.03Å; E222-E225 PolarHBondContact O-N 2.95Å; E222-L226 VanDerWaalsContact O-CG 3.25Å; E222-L226 WeakPolarHBondContact O-CG 3.47Å; E222-L226 PolarHBondContact O-N 2.86Å
223A98Very high96.4Very high0 Ų040.6 Ų40.60%020%0.203CC..Hα-helixtrans-62.9-45.2172.100000111.5I153 L163 F168 I217 N220 S221 E225 L226 I227I153-A223 HydrophobicContact CD1-CB 4.21Å; I153-A223 HydrophobicContact CG2-CB 4.35Å; L163-A223 HydrophobicContact CD1-CB 4.4Å; L163-A223 HydrophobicContact CD2-CB 4.22Å; F168-A223 HydrophobicContact CD1-CB 3.71Å; F168-A223 HydrophobicContact CD2-CB 4.01Å; F168-A223 HydrophobicContact CE1-CB 3.58Å; F168-A223 HydrophobicContact CE2-CB 3.93Å; F168-A223 HydrophobicContact CG-CB 3.93Å; F168-A223 HydrophobicContact CZ-CB 3.69Å; I217-A223 HydrophobicContact CD1-CB 3.65Å; N220-A223 WeakPolarHBondContact O-CB 3.46Å; N220-A223 PolarHBondContact O-N 3.5Å; S221-A223 VanDerWaalsContact C-N 3.34Å; A223-E225 VanDerWaalsContact C-N 3.34Å; A223-E225 PolarHBondContact O-N 2.88Å; A223-L226 PolarHBondContact O-N 3.05Å; A223-I227 WeakPolarHBondContact O-CG1 3.42Å; A223-I227 PolarHBondContact O-N 2.93Å; A223-I227 VanDerWaalsContact O-N 3.09Å
224L98.6Very high96.4Very high0 Ų041.6 Ų41.60%021%0.211CC..Hα-helixtrans-62.6-40.1176.9-67172.5000112F168 N220 S221 I227 K228 I242 M244 F283 Y287 V289F168-L224 HydrophobicContact CD1-CD2 3.85Å; F168-L224 HydrophobicContact CD1-CG 4.09Å; F168-L224 HydrophobicContact CE1-CD2 4.27Å; F168-L224 HydrophobicContact CE1-CG 4.06Å; N220-L224 PolarHBondContact O-N 2.96Å; S221-L224 PolarHBondContact O-N 2.87Å; L224-I227 PolarHBondContact O-N 2.79Å; L224-K228 WeakPolarHBondContact O-CB 3.31Å; L224-K228 PolarHBondContact O-N 2.98Å; L224-I242 HydrophobicContact CD2-CD1 4.14Å; L224-I242 HydrophobicContact CD2-CG2 3.74Å; L224-M244 HydrophobicContact CD1-CE 4.48Å; L224-M244 HydrophobicContact CD1-SD 4.18Å; L224-M244 HydrophobicContact CD2-CG 4.44Å; L224-M244 HydrophobicContact CD2-SD 3.99Å; L224-F283 HydrophobicContact CD1-CB 3.81Å; L224-F283 HydrophobicContact CD1-CD1 3.72Å; L224-F283 HydrophobicContact CD1-CD2 3.79Å; L224-F283 HydrophobicContact CD1-CE1 4.23Å; L224-F283 HydrophobicContact CD1-CE2 4.26Å; L224-F283 HydrophobicContact CD1-CG 3.5Å; L224-F283 VanDerWaalsContact CD1-CG 3.5Å; L224-F283 HydrophobicContact CD1-CZ 4.48Å; L224-Y287 HydrophobicContact CB-CD1 3.79Å; L224-Y287 HydrophobicContact CB-CD2 3.96Å; L224-Y287 HydrophobicContact CB-CE1 3.81Å; L224-Y287 HydrophobicContact CB-CE2 3.97Å; L224-Y287 HydrophobicContact CB-CG 3.87Å; L224-Y287 HydrophobicContact CD1-CD2 3.63Å; L224-Y287 HydrophobicContact CD1-CE2 3.92Å; L224-Y287 HydrophobicContact CD1-CG 4.15Å; L224-Y287 HydrophobicContact CG-CD2 4.38Å; L224-Y287 HydrophobicContact CG-CG 4.5Å; L224-V289 HydrophobicContact CD2-CG2 4.15Å
225E98.4Very high96.5Very high74 Ų7443.2 Ų43.235%0.34623%0.23SC..Hα-helixtrans-65.9-39.3177.6-16958.5-14300112.4S221 E222 A223 K228 T229 Y287S221-E225 WeakPolarHBondContact O-CB 3.49Å; S221-E225 PolarHBondContact O-N 2.7Å; E222-E225 PolarHBondContact O-N 2.95Å; A223-E225 VanDerWaalsContact C-N 3.34Å; A223-E225 PolarHBondContact O-N 2.88Å; E225-K228 PolarHBondContact O-N 2.75Å; E225-T229 WeakPolarHBondContact O-CB 2.85Å; E225-T229 PolarHBondContact O-N 3.46Å; E225-T229 PolarHBondContact O-OG1 3.28Å; E225-Y287 HydrophobicContact CB-CE1 4.47Å; E225-Y287 WeakPolarHBondContact OE2-CE1 3.37Å; E225-Y287 PolarHBondContact OE2-OH 2.97Å
226L98.6Very high96.7Very high4 Ų444.1 Ų44.12%0.02124%0.235CC..Hα-helixtrans-62.2-44.1174.2-69.8165.6000111.5I153 L192 V195 I196 K199 Y200 I217 E222 A223 T229 A230I153-L226 HydrophobicContact CD1-CB 4.18Å; I153-L226 HydrophobicContact CD1-CD1 4.33Å; L192-L226 HydrophobicContact CD1-CB 4.07Å; V195-L226 HydrophobicContact CG1-CD2 3.79Å; I196-L226 HydrophobicContact CG1-CD1 4.34Å; K199-L226 HydrophobicContact CD-CD2 4.06Å; Y200-L226 HydrophobicContact CE2-CD1 3.74Å; Y200-L226 HydrophobicContact CE2-CD2 3.89Å; Y200-L226 HydrophobicContact CE2-CG 4.4Å; I217-L226 HydrophobicContact CD1-CD1 4.28Å; E222-L226 VanDerWaalsContact O-CG 3.25Å; E222-L226 WeakPolarHBondContact O-CG 3.47Å; E222-L226 PolarHBondContact O-N 2.86Å; A223-L226 PolarHBondContact O-N 3.05Å; L226-T229 PolarHBondContact O-N 2.72Å; L226-A230 WeakPolarHBondContact O-CB 3.45Å; L226-A230 PolarHBondContact O-N 3.3Å
227I98.7Very high97.1Very high0 Ų042.1 Ų42.10%023%0.227CC..Hα-helixtrans-66-46.2178.1-69.2169.4000110.5V152 I153 F168 V170 L192 A223 L224 T229 A230 I231 I242V152-I227 HydrophobicContact CG2-CD1 3.89Å; V152-I227 HydrophobicContact CG2-CG1 4.06Å; I153-I227 HydrophobicContact CD1-CD1 4.02Å; I153-I227 HydrophobicContact CD1-CG1 3.8Å; I153-I227 HydrophobicContact CG1-CD1 4.26Å; I153-I227 HydrophobicContact CG1-CG1 4.29Å; F168-I227 HydrophobicContact CB-CD1 3.41Å; F168-I227 VanDerWaalsContact CB-CD1 3.41Å; F168-I227 HydrophobicContact CG-CD1 4.39Å; V170-I227 HydrophobicContact CG1-CG2 3.48Å; V170-I227 VanDerWaalsContact CG1-CG2 3.48Å; L192-I227 HydrophobicContact CD2-CG1 4.38Å; A223-I227 WeakPolarHBondContact O-CG1 3.42Å; A223-I227 PolarHBondContact O-N 2.93Å; A223-I227 VanDerWaalsContact O-N 3.09Å; L224-I227 PolarHBondContact O-N 2.79Å; I227-T229 VanDerWaalsContact C-N 3.34Å; I227-T229 PolarHBondContact O-N 2.85Å; I227-A230 CarbonylContact O-C 3.37Å; I227-A230 WeakPolarHBondContact O-CB 3.27Å; I227-A230 PolarHBondContact O-N 2.92Å; I227-A230 VanDerWaalsContact O-N 3.08Å; I227-I231 HydrophobicContact CG2-CD1 3.78Å; I227-I231 HydrophobicContact CG2-CG1 4.29Å; I227-I231 WeakPolarHBondContact O-CG1 3.32Å; I227-I231 PolarHBondContact O-N 2.87Å; I227-I242 HydrophobicContact CB-CD1 4.3Å; I227-I242 HydrophobicContact CG2-CD1 3.7Å; I227-I242 HydrophobicContact CG2-CG1 3.91Å
228K98.5Very high97.3Very high67 Ų6749.2 Ų49.229%0.29127%0.265SS..Hα-helixtrans-56.3-48.3175.5-179-175.5173.5-174.30111.5L224 E225 A230 I231 E232 Y287L224-K228 WeakPolarHBondContact O-CB 3.31Å; L224-K228 PolarHBondContact O-N 2.98Å; E225-K228 PolarHBondContact O-N 2.75Å; K228-A230 VanDerWaalsContact C-N 3.28Å; K228-A230 PolarHBondContact O-N 3.05Å; K228-I231 WeakPolarHBondContact O-CB 2.98Å; K228-I231 PolarHBondContact O-N 3.43Å; K228-E232 VanDerWaalsContact CE-OE1 3.29Å; K228-E232 WeakPolarHBondContact CE-OE1 3.4Å; K228-E232 WeakPolarHBondContact O-CG 3.44Å; K228-E232 PolarHBondContact O-N 3.49Å; K228-Y287 HydrophobicContact CB-CD1 4.39Å; K228-Y287 HydrophobicContact CD-CD1 4.07Å; K228-Y287 HydrophobicContact CD-CE1 4.22Å
229T98.6Very high97.8Very high36 Ų3649 Ų4922%0.22126%0.263CS..Hα-helixtrans-58.8-40.5175.6-60.90000111.6V195 E225 L226 I227 K233V195-T229 HydrophobicContact CG1-CG2 4.14Å; V195-T229 HydrophobicContact CG2-CG2 4.22Å; E225-T229 WeakPolarHBondContact O-CB 2.85Å; E225-T229 PolarHBondContact O-N 3.46Å; E225-T229 PolarHBondContact O-OG1 3.28Å; L226-T229 PolarHBondContact O-N 2.72Å; I227-T229 VanDerWaalsContact C-N 3.34Å; I227-T229 PolarHBondContact O-N 2.85Å; T229-K233 HydrophobicContact CG2-CD 4.15Å; T229-K233 HydrophobicContact CG2-CG 4.48Å; T229-K233 WeakPolarHBondContact O-CB 3.23Å; T229-K233 WeakPolarHBondContact O-CG 3.47Å; T229-K233 PolarHBondContact O-N 2.98Å
230A98.6Very high98.1Very high0 Ų043.8 Ų43.80%024%0.238CC..Hα-helixtrans-68.9-40178.100000112.6L188 T191 L192 L226 I227 K228 K233 A234L188-A230 HydrophobicContact CD2-CB 4.33Å; T191-A230 HydrophobicContact CG2-CB 4.42Å; L192-A230 HydrophobicContact CB-CB 3.76Å; L192-A230 HydrophobicContact CD1-CB 3.88Å; L192-A230 HydrophobicContact CG-CB 4.41Å; L226-A230 WeakPolarHBondContact O-CB 3.45Å; L226-A230 PolarHBondContact O-N 3.3Å; I227-A230 CarbonylContact O-C 3.37Å; I227-A230 WeakPolarHBondContact O-CB 3.27Å; I227-A230 PolarHBondContact O-N 2.92Å; I227-A230 VanDerWaalsContact O-N 3.08Å; K228-A230 VanDerWaalsContact C-N 3.28Å; K228-A230 PolarHBondContact O-N 3.05Å; A230-K233 PolarHBondContact O-N 3.22Å; A230-A234 VanDerWaalsContact O-CB 3.23Å; A230-A234 WeakPolarHBondContact O-CB 3.41Å; A230-A234 PolarHBondContact O-N 2.83Å
231I98.6Very high98.3Very high6 Ų644.7 Ų44.73%0.03124%0.244CC..Hα-helixtrans-58.4-48.1173.6-71.4166.5000110.1L188 I227 K228 A234 G235 F236 V240 I242L188-I231 HydrophobicContact CD1-CG1 3.53Å; L188-I231 HydrophobicContact CG-CG1 4.39Å; I227-I231 HydrophobicContact CG2-CD1 3.78Å; I227-I231 HydrophobicContact CG2-CG1 4.29Å; I227-I231 WeakPolarHBondContact O-CG1 3.32Å; I227-I231 PolarHBondContact O-N 2.87Å; K228-I231 WeakPolarHBondContact O-CB 2.98Å; K228-I231 PolarHBondContact O-N 3.43Å; I231-A234 PolarHBondContact O-N 3.1Å; I231-G235 PolarHBondContact O-N 2.95Å; I231-F236 PolarHBondContact O-N 2.96Å; I231-V240 HydrophobicContact CD1-CB 4.46Å; I231-V240 HydrophobicContact CD1-CG1 3.95Å; I231-V240 HydrophobicContact CG1-CB 4.35Å; I231-V240 HydrophobicContact CG1-CG1 4.02Å; I231-V240 HydrophobicContact CG2-CB 4.45Å; I231-I242 HydrophobicContact CD1-CD1 4.36Å; I231-I242 HydrophobicContact CD1-CG1 4.17Å
232E98.4Very high98.4Very high99 Ų9942.6 Ų42.646%0.46323%0.229SC..Hα-helixtrans-63-48.6178.8-71.4173.3-173.400111.5K228 A234 G235K228-E232 VanDerWaalsContact CE-OE1 3.29Å; K228-E232 WeakPolarHBondContact CE-OE1 3.4Å; K228-E232 WeakPolarHBondContact O-CG 3.44Å; K228-E232 PolarHBondContact O-N 3.49Å; E232-A234 VanDerWaalsContact C-N 3.3Å; E232-A234 PolarHBondContact O-N 2.87Å; E232-G235 PolarHBondContact O-N 2.98Å
233K98.6Very high98.5Very high124 Ų12440 Ų4054%0.53922%0.217SC..Hα-helixtrans-63.9-32.4179-78.3-177174.8-172.70113.1T191 V195 E198 T229 A230 G235T191-K233 HydrophobicContact CG2-CB 3.65Å; V195-K233 HydrophobicContact CG2-CD 3.74Å; E198-K233 IonicContact OE2-NZ 3.61Å; E198-K233 PolarHBondContact OE2-NZ 2.73Å; T229-K233 HydrophobicContact CG2-CD 4.15Å; T229-K233 HydrophobicContact CG2-CG 4.48Å; T229-K233 WeakPolarHBondContact O-CB 3.23Å; T229-K233 WeakPolarHBondContact O-CG 3.47Å; T229-K233 PolarHBondContact O-N 2.98Å; A230-K233 PolarHBondContact O-N 3.22Å; K233-G235 VanDerWaalsContact C-N 3.27Å
234A98.2Very high98.5Very high22 Ų2240 Ų4018%0.18222%0.217CC..Hα-helixtrans-79.1-9.517600000113T191 A230 I231 E232 F236T191-A234 HydrophobicContact CG2-CB 4.37Å; A230-A234 VanDerWaalsContact O-CB 3.23Å; A230-A234 WeakPolarHBondContact O-CB 3.41Å; A230-A234 PolarHBondContact O-N 2.83Å; I231-A234 PolarHBondContact O-N 3.1Å; E232-A234 VanDerWaalsContact C-N 3.3Å; E232-A234 PolarHBondContact O-N 2.87Å; A234-F236 HydrophobicContact CB-CD2 3.6Å; A234-F236 HydrophobicContact CB-CE2 3.87Å; A234-F236 HydrophobicContact CB-CG 4.34Å
235G98.3Very high98.5Very high60 Ų6040 Ų4062%0.61922%0.217SC*.THydrogen-bonded Turntrans76.229.1-179.800000113.9I231 E232 K233I231-G235 PolarHBondContact O-N 2.95Å; E232-G235 PolarHBondContact O-N 2.98Å; K233-G235 VanDerWaalsContact C-N 3.27Å
236F98.4Very high98.5Very high20 Ų2036.5 Ų36.59%0.08820%0.201CC..  trans-116.418-174.2-60.2-38.5000114.9M184 E187 L188 I231 A234 D238 K239 V240M184-F236 HydrophobicContact CB-CD2 4.34Å; M184-F236 HydrophobicContact CB-CE2 4.04Å; M184-F236 HydrophobicContact CB-CZ 4.2Å; M184-F236 HydrophobicContact CE-CB 3.87Å; M184-F236 HydrophobicContact CE-CD1 3.41Å; M184-F236 VanDerWaalsContact CE-CD1 3.41Å; M184-F236 HydrophobicContact CE-CD2 4.17Å; M184-F236 HydrophobicContact CE-CE1 3.93Å; M184-F236 HydrophobicContact CE-CG 3.56Å; M184-F236 HydrophobicContact CE-CZ 4.5Å; M184-F236 HydrophobicContact CG-CD1 4.39Å; M184-F236 HydrophobicContact CG-CE1 3.98Å; M184-F236 HydrophobicContact CG-CE2 4.21Å; M184-F236 HydrophobicContact CG-CZ 3.88Å; E187-F236 HydrophobicContact CB-CE2 4.03Å; E187-F236 HydrophobicContact CB-CZ 4.4Å; E187-F236 WeakPolarHBondContact OE2-CZ 3.46Å; L188-F236 HydrophobicContact CB-CD2 4.46Å; I231-F236 PolarHBondContact O-N 2.96Å; A234-F236 HydrophobicContact CB-CD2 3.6Å; A234-F236 HydrophobicContact CB-CE2 3.87Å; A234-F236 HydrophobicContact CB-CG 4.34Å; F236-D238 VanDerWaalsContact C-N 3.29Å; F236-D238 PolarHBondContact O-N 3.4Å; F236-K239 PolarHBondContact O-N 2.96Å; F236-V240 HydrophobicContact CB-CB 4.36Å; F236-V240 HydrophobicContact CB-CG2 3.74Å; F236-V240 HydrophobicContact CG-CG2 4.42Å; F236-V240 PolarHBondContact O-N 2.63Å
237T97.9Very high98.5Very high77 Ų7736.5 Ų36.547%0.47220%0.201SC..THydrogen-bonded Turntrans-49.5-43.6-176.3-53.10000114.1K239T237-K239 VanDerWaalsContact C-N 3.33Å; T237-K239 PolarHBondContact O-N 3.26Å
238D97.3Very high98.4Very high152 Ų15236.5 Ų36.581%0.81320%0.201SC*.THydrogen-bonded Turntrans-87-1.9-177.2-57.7-44.2000113.8F236F236-D238 VanDerWaalsContact C-N 3.29Å; F236-D238 PolarHBondContact O-N 3.4Å
239K98.4Very high98.4Very high73 Ų7334.1 Ų34.132%0.31719%0.193SC..THydrogen-bonded Turntrans-119.8-20.6-171.3-64.5-171.3168.4-159.90114.3P172 V173 G174 M184 F236 T237P172-K239 CarbonylContact C-O 3.53Å; V173-K239 PolarHBondContact N-O 3.15Å; V173-K239 VanDerWaalsContact N-O 3.12Å; G174-K239 PolarHBondContact N-O 2.89Å; M184-K239 HydrophobicContact CE-CB 3.32Å; M184-K239 HydrophobicContact CE-CD 3.61Å; M184-K239 HydrophobicContact CE-CG 4.11Å; M184-K239 HydrophobicContact SD-CD 4.19Å; F236-K239 PolarHBondContact O-N 2.96Å; T237-K239 VanDerWaalsContact C-N 3.33Å; T237-K239 PolarHBondContact O-N 3.26Å
240V98.8Very high98.3Very high1 Ų135.7 Ų35.71%0.00620%0.198CC..  trans-119129.3-175.9177.30000110.2V170 L171 P172 M184 L188 I231 F236V170-V240 HydrophobicContact CB-CG1 3.76Å; V170-V240 HydrophobicContact CG1-CG1 4.24Å; L171-V240 WeakPolarHBondContact O-CA 3.37Å; P172-V240 HydrophobicContact CB-CG2 4.11Å; P172-V240 HydrophobicContact CG-CG2 4.39Å; M184-V240 HydrophobicContact CE-CG2 3.78Å; L188-V240 HydrophobicContact CD1-CB 4.39Å; L188-V240 HydrophobicContact CD1-CG1 3.77Å; L188-V240 HydrophobicContact CD1-CG2 4.31Å; I231-V240 HydrophobicContact CD1-CB 4.46Å; I231-V240 HydrophobicContact CD1-CG1 3.95Å; I231-V240 HydrophobicContact CG1-CB 4.35Å; I231-V240 HydrophobicContact CG1-CG1 4.02Å; I231-V240 HydrophobicContact CG2-CB 4.45Å; F236-V240 HydrophobicContact CB-CB 4.36Å; F236-V240 HydrophobicContact CB-CG2 3.74Å; F236-V240 HydrophobicContact CG-CG2 4.42Å; F236-V240 PolarHBondContact O-N 2.63Å
241V98.9Very high98.2Very high26 Ų2635.9 Ų35.916%0.15820%0.199CC..EExtended strand (participates in β ladder)trans-115.9171.5174.9-62.30000110.2V170 L171 V173 P288 V290V170-V241 WeakPolarHBondContact CA-O 3.33Å; L171-V241 HydrophobicContact CB-CG2 3.83Å; L171-V241 PolarHBondContact N-O 3.16Å; L171-V241 PolarHBondContact O-N 3.38Å; V173-V241 HydrophobicContact CB-CG2 4.42Å; V173-V241 HydrophobicContact CG1-CG2 3.72Å; V173-V241 HydrophobicContact CG2-CB 4.49Å; V173-V241 HydrophobicContact CG2-CG1 3.95Å; V173-V241 HydrophobicContact CG2-CG2 3.78Å; V241-P288 WeakPolarHBondContact CB-O 3.43Å; V241-P288 HydrophobicContact CG1-CB 4.43Å; V241-V290 HydrophobicContact CB-CG1 3.85Å; V241-V290 HydrophobicContact CB-CG2 3.91Å; V241-V290 HydrophobicContact CG1-CG1 4.04Å; V241-V290 HydrophobicContact CG2-CB 4.37Å; V241-V290 HydrophobicContact CG2-CG1 4.09Å; V241-V290 HydrophobicContact CG2-CG2 3.37Å
242I98.9Very high98.1Very high0 Ų038.6 Ų38.60%021%0.21CC..EExtended strand (participates in β ladder)trans-110.3138.9-174.9-63174.1000110.5M169 L224 I227 I231 M244 P288 V289 V290M169-I242 VanDerWaalsContact O-CA 3.3Å; M169-I242 WeakPolarHBondContact O-CA 3.32Å; M169-I242 WeakPolarHBondContact O-CG2 3.31Å; L224-I242 HydrophobicContact CD2-CD1 4.14Å; L224-I242 HydrophobicContact CD2-CG2 3.74Å; I227-I242 HydrophobicContact CB-CD1 4.3Å; I227-I242 HydrophobicContact CG2-CD1 3.7Å; I227-I242 HydrophobicContact CG2-CG1 3.91Å; I231-I242 HydrophobicContact CD1-CD1 4.36Å; I231-I242 HydrophobicContact CD1-CG1 4.17Å; I242-M244 HydrophobicContact CG2-CG 4.3Å; I242-P288 HydrophobicContact CD1-CG 4.14Å; I242-P288 HydrophobicContact CG1-CG 4.2Å; I242-P288 PolarHBondContact N-O 3.1Å; I242-V289 HydrophobicContact CB-CG2 4.12Å; I242-V289 HydrophobicContact CG2-CG2 3.98Å; I242-V289 CarbonylContact O-C 3.56Å; I242-V289 WeakPolarHBondContact O-CA 3.25Å; I242-V290 PolarHBondContact O-N 3.4Å
243G98.9Very high97.9Very high0 Ų036.8 Ų36.80%021%0.208CC..EExtended strand (participates in β ladder)trans-116.1156.8164.700000109.9M169 L171 S291M169-G243 WeakPolarHBondContact CA-O 3.25Å; M169-G243 PolarHBondContact N-O 3.21Å; M169-G243 PolarHBondContact O-N 2.96Å; L171-G243 VanDerWaalsContact CD1-N 3.3Å; G243-S291 CarbonylContact C-O 3.57Å; G243-S291 VanDerWaalsContact CA-O 3.29Å; G243-S291 WeakPolarHBondContact CA-O 3.3Å
244M98.8Very high97.5Very high0 Ų039.2 Ų39.20%022%0.222CC..EExtended strand (participates in β ladder)trans-134.5140.2177-59.3176.662.500109.4M165 E167 F168 L224 I242 F283 V289 S291 I292 E293M165-M244 HydrophobicContact SD-CE 3.33Å; M165-M244 WeakPolarHBondContact SD-CE 3.35Å; E167-M244 WeakPolarHBondContact O-CA 3.3Å; F168-M244 HydrophobicContact CD1-CE 4.16Å; F168-M244 HydrophobicContact CE1-CE 3.66Å; F168-M244 HydrophobicContact CZ-CE 4.33Å; L224-M244 HydrophobicContact CD1-CE 4.48Å; L224-M244 HydrophobicContact CD1-SD 4.18Å; L224-M244 HydrophobicContact CD2-CG 4.44Å; L224-M244 HydrophobicContact CD2-SD 3.99Å; I242-M244 HydrophobicContact CG2-CG 4.3Å; M244-F283 HydrophobicContact CE-CD2 3.81Å; M244-F283 HydrophobicContact CE-CE2 3.98Å; M244-F283 HydrophobicContact SD-CD2 4.03Å; M244-V289 HydrophobicContact CG-CG1 4.45Å; M244-V289 HydrophobicContact SD-CG1 4.2Å; M244-V289 HydrophobicContact SD-CG2 4.09Å; M244-S291 PolarHBondContact N-O 3.26Å; M244-I292 HydrophobicContact CB-CG1 4.47Å; M244-I292 CarbonylContact O-C 3.58Å; M244-I292 WeakPolarHBondContact O-CA 3.25Å; M244-E293 WeakPolarHBondContact O-CB 3.46Å; M244-E293 PolarHBondContact O-N 3.01Å
245D98.7Very high97.3Very high0 Ų040.6 Ų40.60%024%0.238CC..EExtended strand (participates in β ladder)trans-112.4116.4157.8167.423.3000107.6Q166 E167 M169 A247 E293 K394Q166-D245 PolarHBondContact N-O 3Å; Q166-D245 PolarHBondContact NE2-OD2 2.9Å; E167-D245 HydrophobicContact CB-CB 3.82Å; E167-D245 HydrophobicContact CG-CB 3.76Å; E167-D245 PolarHBondContact N-O 3.28Å; E167-D245 PolarHBondContact O-N 3.12Å; M169-D245 HydrophobicContact CE-CB 4.21Å; D245-A247 PolarHBondContact OD1-N 3.29Å; D245-E293 HydrophobicContact CB-CB 3.94Å; D245-E293 HydrophobicContact CB-CG 4.2Å; D245-K394 IonicContact OD2-NZ 2.93Å
246V98.6Very high97.3Very high0 Ų042.3 Ų42.30%023%0.228CC..  trans-83.3-36.1-177.5-1750000109.8M165 A248 F251 Y280 I292 E293 D294M165-V246 HydrophobicContact CE-CG1 4.3Å; M165-V246 HydrophobicContact CG-CB 4.39Å; M165-V246 HydrophobicContact CG-CG1 3.75Å; M165-V246 HydrophobicContact CG-CG2 4.47Å; M165-V246 HydrophobicContact SD-CG1 4.31Å; M165-V246 HydrophobicContact SD-CG2 4.26Å; V246-A248 VanDerWaalsContact C-N 3.34Å; V246-A248 HydrophobicContact CG1-CB 4.14Å; V246-F251 HydrophobicContact CG1-CE1 3.97Å; V246-F251 HydrophobicContact CG1-CZ 3.49Å; V246-F251 VanDerWaalsContact CG1-CZ 3.49Å; V246-F251 WeakPolarHBondContact O-CE1 3.37Å; V246-Y280 HydrophobicContact CG1-CE1 4.21Å; V246-Y280 WeakPolarHBondContact CG1-OH 3.44Å; V246-Y280 HydrophobicContact CG2-CE1 3.73Å; V246-I292 HydrophobicContact CG2-CG2 3.81Å; V246-E293 PolarHBondContact N-O 3.22Å; V246-D294 WeakPolarHBondContact CB-O 3.47Å
247A97.6Very high97.3Very high3 Ų341.3 Ų41.33%0.02522%0.224CC..  trans49.850.6-170.600000112.5Q166 D245 S249 E250Q166-A247 HydrophobicContact CB-CB 3.79Å; Q166-A247 HydrophobicContact CG-CB 4.35Å; D245-A247 PolarHBondContact OD1-N 3.29Å; A247-S249 PolarHBondContact O-N 2.95Å; A247-S249 VanDerWaalsContact O-N 3.1Å; A247-E250 HydrophobicContact CB-CG 4.25Å; A247-E250 WeakPolarHBondContact O-CB 3.43Å; A247-E250 PolarHBondContact O-N 2.82Å
248A98.3Very high97.3Very high0 Ų038.4 Ų38.40%021%0.205CC..G310 helixtrans-61.7-24.4-168.700000114.7V246 E250 F251 F252 Y257 D294V246-A248 VanDerWaalsContact C-N 3.34Å; V246-A248 HydrophobicContact CG1-CB 4.14Å; A248-E250 PolarHBondContact O-N 3.26Å; A248-F251 VanDerWaalsContact CA-CZ 3.49Å; A248-F251 HydrophobicContact CB-CE1 4.45Å; A248-F251 HydrophobicContact CB-CE2 3.97Å; A248-F251 HydrophobicContact CB-CZ 3.81Å; A248-F251 CarbonylContact O-C 3.56Å; A248-F251 PolarHBondContact O-N 3.46Å; A248-F251 VanDerWaalsContact O-N 3.15Å; A248-F252 PolarHBondContact O-N 3.11Å; A248-Y257 HydrophobicContact CB-CD1 4.08Å; A248-Y257 HydrophobicContact CB-CE1 3.82Å; A248-D294 VanDerWaalsContact CB-O 3.24Å; A248-D294 WeakPolarHBondContact CB-O 3.48Å; A248-D294 PolarHBondContact N-O 3.4Å; A248-D294 VanDerWaalsContact N-O 3.1Å
249S97.8Very high97.2Very high17 Ų1733 Ų3312%0.11918%0.176CC..G310 helixtrans-55-32.3173-51.50000112.6A247 F251 F252 Q298A247-S249 PolarHBondContact O-N 2.95Å; A247-S249 VanDerWaalsContact O-N 3.1Å; S249-F251 PolarHBondContact O-N 2.9Å; S249-F252 PolarHBondContact O-N 2.92Å; S249-Q298 PolarHBondContact OG-N 2.83Å; S249-Q298 VanDerWaalsContact OG-N 3.08Å
250E96.2Very high97.1Very high69 Ų6930 Ų3032%0.32216%0.164SC..G310 helixtrans-68.9-21.8-178.2-66.6-71.5105.700113.2S157 A247 A248S157-E250 PolarHBondContact OG-OE2 3.35Å; A247-E250 HydrophobicContact CB-CG 4.25Å; A247-E250 WeakPolarHBondContact O-CB 3.43Å; A247-E250 PolarHBondContact O-N 2.82Å; A248-E250 PolarHBondContact O-N 3.26Å
251F96.6Very high96.9Very high5 Ų532.4 Ų32.42%0.02217%0.174CC..G310 helixtrans-125.315.9179.857.5-103.6000113.3A164 V246 A248 S249 Y257 D258 L259 F261 L276A164-F251 HydrophobicContact CB-CD1 4.4Å; A164-F251 HydrophobicContact CB-CE1 4.45Å; V246-F251 HydrophobicContact CG1-CE1 3.97Å; V246-F251 HydrophobicContact CG1-CZ 3.49Å; V246-F251 VanDerWaalsContact CG1-CZ 3.49Å; V246-F251 WeakPolarHBondContact O-CE1 3.37Å; A248-F251 VanDerWaalsContact CA-CZ 3.49Å; A248-F251 HydrophobicContact CB-CE1 4.45Å; A248-F251 HydrophobicContact CB-CE2 3.97Å; A248-F251 HydrophobicContact CB-CZ 3.81Å; A248-F251 CarbonylContact O-C 3.56Å; A248-F251 PolarHBondContact O-N 3.46Å; A248-F251 VanDerWaalsContact O-N 3.15Å; S249-F251 PolarHBondContact O-N 2.9Å; F251-Y257 AromaticContact CD2-CD1 3.95Å; F251-Y257 HydrophobicContact CD2-CD1 3.95Å; F251-Y257 HydrophobicContact CD2-CG 4.46Å; F251-Y257 AromaticContact CE2-CD1 3.78Å; F251-Y257 HydrophobicContact CE2-CD1 3.78Å; F251-Y257 HydrophobicContact CE2-CG 4.3Å; F251-Y257 WeakPolarHBondContact O-CA 3.25Å; F251-D258 WeakPolarHBondContact CB-O 3.46Å; F251-D258 PolarHBondContact O-N 3.45Å; F251-L259 HydrophobicContact CD2-CD2 4.4Å; F251-L259 HydrophobicContact CE2-CD2 3.81Å; F251-L259 HydrophobicContact CZ-CD2 4.02Å; F251-F261 HydrophobicContact CB-CB 3.71Å; F251-F261 HydrophobicContact CB-CD1 3.55Å; F251-F261 HydrophobicContact CB-CD2 4.42Å; F251-F261 HydrophobicContact CB-CE1 4.23Å; F251-F261 HydrophobicContact CB-CG 3.65Å; F251-F261 HydrophobicContact CD1-CD1 4.19Å; F251-F261 HydrophobicContact CD1-CE1 4.16Å; F251-F261 HydrophobicContact CG-CD1 4.26Å; F251-L276 HydrophobicContact CE2-CD2 4.35Å
252F97.1Very high96.6Very high63 Ų6334.5 Ų34.528%0.27618%0.181SC..EExtended strand (participates in β ladder)trans-80.5127.2169.9-176.4-112.1000110.4A248 S249 G255 K256 Y257 D297A248-F252 PolarHBondContact O-N 3.11Å; S249-F252 PolarHBondContact O-N 2.92Å; F252-G255 VanDerWaalsContact CE2-C 3.45Å; F252-G255 VanDerWaalsContact CZ-CA 3.45Å; F252-K256 CarbonylContact C-O 3.49Å; F252-K256 WeakPolarHBondContact CA-O 3.45Å; F252-K256 VanDerWaalsContact CD2-O 3.27Å; F252-K256 WeakPolarHBondContact CD2-O 3.18Å; F252-Y257 HydrophobicContact CB-CD1 4.21Å; F252-Y257 HydrophobicContact CB-CE1 4.05Å; F252-Y257 AromaticContact CD2-CD1 3.9Å; F252-Y257 HydrophobicContact CD2-CD1 3.9Å; F252-Y257 HydrophobicContact CD2-CD2 4.37Å; F252-Y257 AromaticContact CD2-CE1 3.48Å; F252-Y257 HydrophobicContact CD2-CE1 3.48Å; F252-Y257 VanDerWaalsContact CD2-CE1 3.48Å; F252-Y257 AromaticContact CD2-CE2 3.97Å; F252-Y257 HydrophobicContact CD2-CE2 3.97Å; F252-Y257 HydrophobicContact CD2-CG 4.32Å; F252-Y257 AromaticContact CD2-CZ 3.51Å; F252-Y257 HydrophobicContact CE2-CE1 4.3Å; F252-Y257 HydrophobicContact CE2-CE2 4.11Å; F252-Y257 AromaticContact CE2-CZ 3.86Å; F252-Y257 HydrophobicContact CG-CE1 4.17Å; F252-D297 HydrophobicContact CB-CB 3.8Å; F252-D297 HydrophobicContact CD1-CB 3.62Å; F252-D297 HydrophobicContact CD2-CB 3.86Å; F252-D297 HydrophobicContact CE1-CB 4.04Å; F252-D297 HydrophobicContact CE2-CB 4.24Å; F252-D297 HydrophobicContact CG-CB 3.5Å; F252-D297 HydrophobicContact CZ-CB 4.31Å
253S93.1Very high96.3Very high60 Ų6035.4 Ų35.442%0.4219%0.188SC..EExtended strand (participates in β ladder)trans-149.6126.1-179.5-166.10000110.4G255 K256S253-G255 VanDerWaalsContact C-N 3.28Å; S253-G255 PolarHBondContact O-N 2.65Å; S253-K256 PolarHBondContact N-O 3.44Å; S253-K256 PolarHBondContact O-N 3.14Å; S253-K256 VanDerWaalsContact O-O 3.09Å
254E90.4Very high96Very high176 Ų17640.7 Ų40.782%0.82222%0.222SC*.THydrogen-bonded Turntrans54.339.7175.5-56.6-176.1164.900113.9K256E254-K256 VanDerWaalsContact C-N 3.31Å; E254-K256 PolarHBondContact O-N 3.47Å
255G95.2Very high95.7Very high50 Ų5046.9 Ų46.952%0.51526%0.262SS..THydrogen-bonded Turntrans79.910.2178.900000114.6F252 S253F252-G255 VanDerWaalsContact CE2-C 3.45Å; F252-G255 VanDerWaalsContact CZ-CA 3.45Å; S253-G255 VanDerWaalsContact C-N 3.28Å; S253-G255 PolarHBondContact O-N 2.65Å
256K97.9Very high95.4Very high96 Ų9650.7 Ų50.742%0.41728%0.283SS..EExtended strand (participates in β ladder)trans-137.7172.2-178.9-65.5-170.8174.5-167.50111.2F252 S253 E254 N270 I271F252-K256 CarbonylContact C-O 3.49Å; F252-K256 WeakPolarHBondContact CA-O 3.45Å; F252-K256 VanDerWaalsContact CD2-O 3.27Å; F252-K256 WeakPolarHBondContact CD2-O 3.18Å; S253-K256 PolarHBondContact N-O 3.44Å; S253-K256 PolarHBondContact O-N 3.14Å; S253-K256 VanDerWaalsContact O-O 3.09Å; E254-K256 VanDerWaalsContact C-N 3.31Å; E254-K256 PolarHBondContact O-N 3.47Å; K256-N270 HydrophobicContact CB-CB 3.74Å; K256-N270 HydrophobicContact CD-CB 3.96Å; K256-I271 WeakPolarHBondContact CA-O 3.42Å; K256-I271 WeakPolarHBondContact CB-O 3.42Å
257Y98.3Very high95.1Very high0 Ų053.8 Ų53.80%031%0.308CS..EExtended strand (participates in β ladder)trans-117.1131.4-175.5-61.3-87.3000111.6A248 F251 F252 N270 I271 A273 L276 F296 D297 D300A248-Y257 HydrophobicContact CB-CD1 4.08Å; A248-Y257 HydrophobicContact CB-CE1 3.82Å; F251-Y257 AromaticContact CD2-CD1 3.95Å; F251-Y257 HydrophobicContact CD2-CD1 3.95Å; F251-Y257 HydrophobicContact CD2-CG 4.46Å; F251-Y257 AromaticContact CE2-CD1 3.78Å; F251-Y257 HydrophobicContact CE2-CD1 3.78Å; F251-Y257 HydrophobicContact CE2-CG 4.3Å; F251-Y257 WeakPolarHBondContact O-CA 3.25Å; F252-Y257 HydrophobicContact CB-CD1 4.21Å; F252-Y257 HydrophobicContact CB-CE1 4.05Å; F252-Y257 AromaticContact CD2-CD1 3.9Å; F252-Y257 HydrophobicContact CD2-CD1 3.9Å; F252-Y257 HydrophobicContact CD2-CD2 4.37Å; F252-Y257 AromaticContact CD2-CE1 3.48Å; F252-Y257 HydrophobicContact CD2-CE1 3.48Å; F252-Y257 VanDerWaalsContact CD2-CE1 3.48Å; F252-Y257 AromaticContact CD2-CE2 3.97Å; F252-Y257 HydrophobicContact CD2-CE2 3.97Å; F252-Y257 HydrophobicContact CD2-CG 4.32Å; F252-Y257 AromaticContact CD2-CZ 3.51Å; F252-Y257 HydrophobicContact CE2-CE1 4.3Å; F252-Y257 HydrophobicContact CE2-CE2 4.11Å; F252-Y257 AromaticContact CE2-CZ 3.86Å; F252-Y257 HydrophobicContact CG-CE1 4.17Å; Y257-N270 CarbonylContact O-C 3.53Å; Y257-N270 VanDerWaalsContact O-CA 3.31Å; Y257-N270 WeakPolarHBondContact O-CA 3.44Å; Y257-I271 PolarHBondContact N-O 3.42Å; Y257-I271 WeakPolarHBondContact O-CG1 3.32Å; Y257-I271 PolarHBondContact O-N 3.06Å; Y257-A273 HydrophobicContact CE2-CB 3.97Å; Y257-L276 HydrophobicContact CD1-CD2 3.71Å; Y257-L276 HydrophobicContact CD2-CD2 3.75Å; Y257-L276 HydrophobicContact CE1-CD2 4.15Å; Y257-L276 HydrophobicContact CE2-CD2 4.21Å; Y257-L276 HydrophobicContact CG-CD2 3.49Å; Y257-L276 VanDerWaalsContact CG-CD2 3.49Å; Y257-F296 HydrophobicContact CE2-CD1 4.17Å; Y257-F296 AromaticContact CZ-CD1 3.94Å; Y257-F296 WeakPolarHBondContact OH-CB 3.48Å; Y257-D297 HydrophobicContact CE1-CB 4.28Å; Y257-D297 PolarHBondContact OH-N 2.79Å; Y257-D300 WeakPolarHBondContact OH-CB 3.46Å; Y257-D300 PolarHBondContact OH-OD2 2.61Å
258D97.3Very high94.9Very high15 Ų1558.1 Ų58.18%0.0834%0.344CS..  trans-105.295.1178.1-174.70.3000111.9F251 D260 F261 R269F251-D258 WeakPolarHBondContact CB-O 3.46Å; F251-D258 PolarHBondContact O-N 3.45Å; D258-D260 PolarHBondContact O-N 2.85Å; D258-D260 PolarHBondContact OD1-N 3.26Å; D258-F261 HydrophobicContact CB-CB 4.16Å; D258-F261 WeakPolarHBondContact O-CB 3.18Å; D258-F261 PolarHBondContact O-N 3.47Å; D258-F261 VanDerWaalsContact O-N 3.11Å; D258-F261 PolarHBondContact OD1-N 3.17Å; D258-F261 WeakPolarHBondContact OD2-CA 3.48Å; D258-R269 IonicContact OD1-CZ 3.68Å; D258-R269 VanDerWaalsContact OD1-CZ 3.28Å; D258-R269 IonicContact OD1-NE 3.19Å; D258-R269 PolarHBondContact OD1-NE 3.36Å; D258-R269 IonicContact OD1-NH2 3.62Å; D258-R269 PolarHBondContact OD1-NH2 2.76Å; D258-R269 IonicContact OD2-CZ 3.28Å; D258-R269 IonicContact OD2-NE 2.72Å; D258-R269 PolarHBondContact OD2-NE 2.83Å; D258-R269 IonicContact OD2-NH2 3.23Å; D258-R269 PolarHBondContact OD2-NH2 3.17Å
259L96.6Very high94.7Very high38 Ų3861.4 Ų61.420%0.19936%0.357CS..THydrogen-bonded Turntrans-69.26.5178.5-62.4-177000114.8A164 M165 F251 I271 L276 I279A164-L259 HydrophobicContact CB-CB 4.38Å; A164-L259 HydrophobicContact CB-CD2 4.32Å; A164-L259 VanDerWaalsContact CB-O 3.22Å; A164-L259 WeakPolarHBondContact CB-O 3.37Å; M165-L259 HydrophobicContact CE-CD2 4.43Å; F251-L259 HydrophobicContact CD2-CD2 4.4Å; F251-L259 HydrophobicContact CE2-CD2 3.81Å; F251-L259 HydrophobicContact CZ-CD2 4.02Å; L259-I271 HydrophobicContact CD1-CD1 3.6Å; L259-I271 HydrophobicContact CG-CD1 3.93Å; L259-L276 HydrophobicContact CD1-CD1 4.47Å; L259-L276 HydrophobicContact CD2-CD1 4.1Å; L259-I279 HydrophobicContact CD1-CD1 3.73Å
260D94.8Very high94.7Very high11 Ų1161.4 Ų61.46%0.05936%0.355CS..THydrogen-bonded Turntrans-135.334.9170.2-175.832.4000111R162 D258 K262 S263 R269R162-D260 IonicContact CZ-OD1 3.38Å; R162-D260 IonicContact CZ-OD2 3.3Å; R162-D260 IonicContact NE-OD1 3.32Å; R162-D260 PolarHBondContact NE-OD1 2.72Å; R162-D260 IonicContact NH2-OD1 3.34Å; R162-D260 PolarHBondContact NH2-OD1 3.48Å; R162-D260 IonicContact NH2-OD2 2.74Å; R162-D260 PolarHBondContact NH2-OD2 3.46Å; D258-D260 PolarHBondContact O-N 2.85Å; D258-D260 PolarHBondContact OD1-N 3.26Å; D260-K262 PolarHBondContact O-N 2.98Å; D260-S263 VanDerWaalsContact O-CB 3.31Å; D260-S263 WeakPolarHBondContact O-CB 3.43Å; D260-S263 PolarHBondContact O-N 2.77Å; D260-S263 WeakPolarHBondContact OD1-CB 3.46Å; D260-S263 PolarHBondContact OD1-OG 2.79Å; D260-S263 VanDerWaalsContact OD2-CB 3.3Å; D260-S263 WeakPolarHBondContact OD2-CB 3.49Å; D260-S263 PolarHBondContact OD2-OG 3.47Å; D260-R269 VanDerWaalsContact C-NH2 3.34Å; D260-R269 VanDerWaalsContact CG-NH1 3.28Å; D260-R269 PolarHBondContact O-NH2 2.81Å; D260-R269 IonicContact OD2-CZ 3.64Å; D260-R269 IonicContact OD2-NH1 2.66Å; D260-R269 PolarHBondContact OD2-NH1 2.8Å
261F94.8Very high94.7Very high52 Ų5259.6 Ų59.623%0.22835%0.347CS..THydrogen-bonded Turntrans-54.7-20.8-176.378.7-80.9000115.7A164 F251 D258 S263A164-F261 HydrophobicContact CB-CD1 4.09Å; A164-F261 HydrophobicContact CB-CE1 4.16Å; F251-F261 HydrophobicContact CB-CB 3.71Å; F251-F261 HydrophobicContact CB-CD1 3.55Å; F251-F261 HydrophobicContact CB-CD2 4.42Å; F251-F261 HydrophobicContact CB-CE1 4.23Å; F251-F261 HydrophobicContact CB-CG 3.65Å; F251-F261 HydrophobicContact CD1-CD1 4.19Å; F251-F261 HydrophobicContact CD1-CE1 4.16Å; F251-F261 HydrophobicContact CG-CD1 4.26Å; D258-F261 HydrophobicContact CB-CB 4.16Å; D258-F261 WeakPolarHBondContact O-CB 3.18Å; D258-F261 PolarHBondContact O-N 3.47Å; D258-F261 VanDerWaalsContact O-N 3.11Å; D258-F261 PolarHBondContact OD1-N 3.17Å; D258-F261 WeakPolarHBondContact OD2-CA 3.48Å; F261-S263 VanDerWaalsContact C-N 3.26Å; F261-S263 PolarHBondContact O-N 2.8Å
262K92.8Very high94.8Very high69 Ų6960.7 Ų60.730%0.336%0.355SS..THydrogen-bonded Turntrans-78-10.7175.7-69-175.2-78.6-174.30113.5G156 A159 N161 L163 D260G156-K262 WeakPolarHBondContact O-CD 3.49Å; G156-K262 PolarHBondContact O-NZ 3.25Å; A159-K262 PolarHBondContact O-NZ 2.89Å; N161-K262 VanDerWaalsContact O-CD 3.32Å; N161-K262 WeakPolarHBondContact O-CD 3.47Å; N161-K262 WeakPolarHBondContact O-CE 3.48Å; N161-K262 PolarHBondContact O-NZ 2.78Å; N161-K262 PolarHBondContact OD1-NZ 2.77Å; L163-K262 WeakPolarHBondContact O-CE 3.46Å; L163-K262 PolarHBondContact O-NZ 3.22Å; D260-K262 PolarHBondContact O-N 2.98Å
263S92.1Very high94.9Very high20 Ų2058.3 Ų58.314%0.1435%0.348CS..SBendtrans-92.2164.7171-61.80000111R162 D260 F261R162-S263 PolarHBondContact NE-OG 3.25Å; R162-S263 PolarHBondContact NH2-OG 3.09Å; D260-S263 VanDerWaalsContact O-CB 3.31Å; D260-S263 WeakPolarHBondContact O-CB 3.43Å; D260-S263 PolarHBondContact O-N 2.77Å; D260-S263 WeakPolarHBondContact OD1-CB 3.46Å; D260-S263 PolarHBondContact OD1-OG 2.79Å; D260-S263 VanDerWaalsContact OD2-CB 3.3Å; D260-S263 WeakPolarHBondContact OD2-CB 3.49Å; D260-S263 PolarHBondContact OD2-OG 3.47Å; F261-S263 VanDerWaalsContact C-N 3.26Å; F261-S263 PolarHBondContact O-N 2.8Å
264P93.4Very high95.2Very high111 Ų11160.8 Ų60.872%0.72135%0.353SS*.SBendtrans-49.8136.7176.4-28.936.3000112.5N266P264-N266 PolarHBondContact O-N 3.23Å
265P91.6Very high95.5Very high130 Ų13057.3 Ų57.384%0.84434%0.337SS*.PPolyproline II helixtrans-55.1134.8-172.8-2834.2000113.4
266N92.8Very high95.7Very high80 Ų8055 Ų5543%0.42831%0.312SS..  trans-147.596.1176.4-179.22.1000111.2P264 A268 R269 N270P264-N266 PolarHBondContact O-N 3.23Å; N266-A268 PolarHBondContact O-N 2.81Å; N266-A268 WeakPolarHBondContact OD1-CB 3.38Å; N266-A268 PolarHBondContact OD1-N 3.02Å; N266-A268 VanDerWaalsContact OD1-N 3.16Å; N266-R269 HydrophobicContact CB-CG 4.14Å; N266-R269 WeakPolarHBondContact O-CG 3.38Å; N266-R269 PolarHBondContact O-N 3.06Å; N266-N270 PolarHBondContact O-OD1 3.47Å
267A92.1Very high95.7Very high65 Ų6551.1 Ų51.154%0.53730%0.298SS..G310 helixtrans-60.6-19.9-177.500000114.5R269 N270A267-R269 VanDerWaalsContact C-N 3.27Å; A267-R269 PolarHBondContact O-N 3.24Å; A267-N270 PolarHBondContact O-N 3.2Å
268A93.7Very high95.8Very high94 Ų9454.8 Ų54.878%0.77732%0.324SS*.G310 helixtrans-72.5-17.3-178.100000114N266N266-A268 PolarHBondContact O-N 2.81Å; N266-A268 WeakPolarHBondContact OD1-CB 3.38Å; N266-A268 PolarHBondContact OD1-N 3.02Å; N266-A268 VanDerWaalsContact OD1-N 3.16Å
269R94.4Very high95.8Very high69 Ų6956.6 Ų56.626%0.2633%0.333SS..G310 helixtrans-98.6-3.317559.8163.2-171.8-1461.5113.4D258 D260 N266 A267 I271D258-R269 IonicContact OD1-CZ 3.68Å; D258-R269 VanDerWaalsContact OD1-CZ 3.28Å; D258-R269 IonicContact OD1-NE 3.19Å; D258-R269 PolarHBondContact OD1-NE 3.36Å; D258-R269 IonicContact OD1-NH2 3.62Å; D258-R269 PolarHBondContact OD1-NH2 2.76Å; D258-R269 IonicContact OD2-CZ 3.28Å; D258-R269 IonicContact OD2-NE 2.72Å; D258-R269 PolarHBondContact OD2-NE 2.83Å; D258-R269 IonicContact OD2-NH2 3.23Å; D258-R269 PolarHBondContact OD2-NH2 3.17Å; D260-R269 VanDerWaalsContact C-NH2 3.34Å; D260-R269 VanDerWaalsContact CG-NH1 3.28Å; D260-R269 PolarHBondContact O-NH2 2.81Å; D260-R269 IonicContact OD2-CZ 3.64Å; D260-R269 IonicContact OD2-NH1 2.66Å; D260-R269 PolarHBondContact OD2-NH1 2.8Å; N266-R269 HydrophobicContact CB-CG 4.14Å; N266-R269 WeakPolarHBondContact O-CG 3.38Å; N266-R269 PolarHBondContact O-N 3.06Å; A267-R269 VanDerWaalsContact C-N 3.27Å; A267-R269 PolarHBondContact O-N 3.24Å; R269-I271 PolarHBondContact O-N 2.9Å
270N96.7Very high95.9Very high17 Ų1754.8 Ų54.89%0.09132%0.324CS..PPolyproline II helixtrans-69.2132.7180-65.613.6000109.5K256 Y257 N266 A267K256-N270 HydrophobicContact CB-CB 3.74Å; K256-N270 HydrophobicContact CD-CB 3.96Å; Y257-N270 CarbonylContact O-C 3.53Å; Y257-N270 VanDerWaalsContact O-CA 3.31Å; Y257-N270 WeakPolarHBondContact O-CA 3.44Å; N266-N270 PolarHBondContact O-OD1 3.47Å; A267-N270 PolarHBondContact O-N 3.2Å
271I98.1Very high96.1Very high30 Ų3058 Ų5815%0.15434%0.338CS..BIsolated β-bridgetrans-103.9155.5-177.161.7172.6000111.2K256 Y257 L259 R269 E275 L276 I279K256-I271 WeakPolarHBondContact CA-O 3.42Å; K256-I271 WeakPolarHBondContact CB-O 3.42Å; Y257-I271 PolarHBondContact N-O 3.42Å; Y257-I271 WeakPolarHBondContact O-CG1 3.32Å; Y257-I271 PolarHBondContact O-N 3.06Å; L259-I271 HydrophobicContact CD1-CD1 3.6Å; L259-I271 HydrophobicContact CG-CD1 3.93Å; R269-I271 PolarHBondContact O-N 2.9Å; I271-E275 WeakPolarHBondContact CA-OE2 3.21Å; I271-E275 HydrophobicContact CB-CB 3.95Å; I271-E275 WeakPolarHBondContact CB-OE2 3.47Å; I271-L276 HydrophobicContact CD1-CB 3.93Å; I271-L276 HydrophobicContact CD1-CD1 4.06Å; I271-L276 HydrophobicContact CG1-CB 4.47Å; I271-I279 HydrophobicContact CD1-CD1 3.71Å
272S98.4Very high96.3Very high28 Ų2856.7 Ų56.720%0.19634%0.339CS..PPolyproline II helixtrans-76.1168.5175.383.90000112.1E274 E275 L276S272-E274 VanDerWaalsContact C-N 3.26Å; S272-E274 WeakPolarHBondContact CB-OE2 3.21Å; S272-E274 PolarHBondContact O-N 3.46Å; S272-E274 PolarHBondContact OG-N 2.94Å; S272-E274 PolarHBondContact OG-OE2 3.46Å; S272-E275 PolarHBondContact N-OE2 2.8Å; S272-E275 PolarHBondContact O-N 3.17Å; S272-E275 PolarHBondContact OG-N 2.96Å; S272-L276 WeakPolarHBondContact O-CB 3.26Å; S272-L276 PolarHBondContact O-N 3.15Å
273A98.4Very high96.5Very high14 Ų1454.2 Ų54.212%0.11633%0.328CS..Hα-helixtrans-59.2-38172.600000111.9Y257 L276 A277 F296 A303Y257-A273 HydrophobicContact CE2-CB 3.97Å; A273-L276 PolarHBondContact O-N 2.78Å; A273-A277 VanDerWaalsContact O-CB 3.31Å; A273-A277 WeakPolarHBondContact O-CB 3.3Å; A273-A277 PolarHBondContact O-N 3.45Å; A273-F296 HydrophobicContact CB-CD1 4.16Å; A273-F296 HydrophobicContact CB-CE1 4.1Å; A273-F296 WeakPolarHBondContact O-CE1 3.19Å; A273-A303 HydrophobicContact CB-CB 3.69Å
274E98.4Very high96.9Very high111 Ų11155 Ų5552%0.51933%0.331SS..Hα-helixtrans-68.9-39.2179.3-56.880.1-17500112.3S272 S278S272-E274 VanDerWaalsContact C-N 3.26Å; S272-E274 WeakPolarHBondContact CB-OE2 3.21Å; S272-E274 PolarHBondContact O-N 3.46Å; S272-E274 PolarHBondContact OG-N 2.94Å; S272-E274 PolarHBondContact OG-OE2 3.46Å; E274-S278 WeakPolarHBondContact O-CB 3.5Å; E274-S278 PolarHBondContact O-N 3.08Å; E274-S278 PolarHBondContact O-OG 2.84Å
275E98.6Very high97.1Very high104 Ų10455.7 Ų55.749%0.48633%0.328SS..Hα-helixtrans-64.4-43.5173.7-70.2175.4138.600110.6I271 S272 S278 I279I271-E275 WeakPolarHBondContact CA-OE2 3.21Å; I271-E275 HydrophobicContact CB-CB 3.95Å; I271-E275 WeakPolarHBondContact CB-OE2 3.47Å; S272-E275 PolarHBondContact N-OE2 2.8Å; S272-E275 PolarHBondContact O-N 3.17Å; S272-E275 PolarHBondContact OG-N 2.96Å; E275-S278 WeakPolarHBondContact O-CB 3.29Å; E275-S278 PolarHBondContact O-N 3.26Å; E275-I279 WeakPolarHBondContact O-CG1 3.44Å; E275-I279 PolarHBondContact O-N 2.94Å; E275-I279 VanDerWaalsContact O-N 3.11Å
276L98.6Very high97.4Very high0 Ų054.8 Ų54.80%032%0.316CS..Hα-helixtrans-65-42.8176.4-176.556.7000112.1M165 F251 Y257 L259 I271 S272 A273 S278 I279 Y280 F296M165-L276 HydrophobicContact CE-CD1 4.47Å; F251-L276 HydrophobicContact CE2-CD2 4.35Å; Y257-L276 HydrophobicContact CD1-CD2 3.71Å; Y257-L276 HydrophobicContact CD2-CD2 3.75Å; Y257-L276 HydrophobicContact CE1-CD2 4.15Å; Y257-L276 HydrophobicContact CE2-CD2 4.21Å; Y257-L276 HydrophobicContact CG-CD2 3.49Å; Y257-L276 VanDerWaalsContact CG-CD2 3.49Å; L259-L276 HydrophobicContact CD1-CD1 4.47Å; L259-L276 HydrophobicContact CD2-CD1 4.1Å; I271-L276 HydrophobicContact CD1-CB 3.93Å; I271-L276 HydrophobicContact CD1-CD1 4.06Å; I271-L276 HydrophobicContact CG1-CB 4.47Å; S272-L276 WeakPolarHBondContact O-CB 3.26Å; S272-L276 PolarHBondContact O-N 3.15Å; A273-L276 PolarHBondContact O-N 2.78Å; L276-S278 VanDerWaalsContact C-N 3.26Å; L276-S278 PolarHBondContact O-N 2.81Å; L276-I279 WeakPolarHBondContact O-CB 3.29Å; L276-I279 PolarHBondContact O-N 2.93Å; L276-I279 VanDerWaalsContact O-N 3.11Å; L276-Y280 HydrophobicContact CD1-CE1 3.98Å; L276-Y280 HydrophobicContact CD1-CE2 4.01Å; L276-Y280 WeakPolarHBondContact CD1-OH 3.44Å; L276-Y280 HydrophobicContact CD2-CE2 4.15Å; L276-Y280 WeakPolarHBondContact CD2-OH 3.47Å; L276-Y280 HydrophobicContact CG-CD2 4.41Å; L276-Y280 HydrophobicContact CG-CE1 4.43Å; L276-Y280 HydrophobicContact CG-CE2 3.53Å; L276-Y280 WeakPolarHBondContact CG-OH 3.2Å; L276-Y280 WeakPolarHBondContact O-CD2 3.34Å; L276-Y280 PolarHBondContact O-N 2.62Å; L276-Y280 VanDerWaalsContact O-N 3.07Å; L276-F296 HydrophobicContact CB-CE1 4.45Å; L276-F296 HydrophobicContact CD2-CD1 4.32Å; L276-F296 HydrophobicContact CD2-CE1 4.35Å; L276-F296 HydrophobicContact CG-CE1 4.42Å
277A98.7Very high97.7Very high15 Ų1552.7 Ų52.712%0.12430%0.303CS..Hα-helixtrans-58.1-39.5173.200000112A273 I279 Y280 Q281 F296 F307A273-A277 VanDerWaalsContact O-CB 3.31Å; A273-A277 WeakPolarHBondContact O-CB 3.3Å; A273-A277 PolarHBondContact O-N 3.45Å; A277-I279 VanDerWaalsContact C-N 3.33Å; A277-I279 PolarHBondContact O-N 2.92Å; A277-Y280 PolarHBondContact O-N 3.4Å; A277-Q281 WeakPolarHBondContact O-CG 3.06Å; A277-Q281 PolarHBondContact O-N 2.77Å; A277-F296 HydrophobicContact CB-CE1 4.46Å; A277-F296 HydrophobicContact CB-CZ 3.97Å; A277-F307 HydrophobicContact CB-CD2 4.03Å
278S98.5Very high97.9Very high77 Ų7752.1 Ų52.154%0.53829%0.293SS..Hα-helixtrans-65.1-36.8176.7-59.30000112.1E274 E275 L276 Q281 G282E274-S278 WeakPolarHBondContact O-CB 3.5Å; E274-S278 PolarHBondContact O-N 3.08Å; E274-S278 PolarHBondContact O-OG 2.84Å; E275-S278 WeakPolarHBondContact O-CB 3.29Å; E275-S278 PolarHBondContact O-N 3.26Å; L276-S278 VanDerWaalsContact C-N 3.26Å; L276-S278 PolarHBondContact O-N 2.81Å; S278-Q281 PolarHBondContact O-N 2.87Å; S278-G282 PolarHBondContact O-N 3.3Å
279I98.5Very high98.2Very high54 Ų5447.9 Ų47.928%0.27726%0.258SS..Hα-helixtrans-62-46.8172.6-67.5169.7000110.2L259 I271 E275 L276 A277 Q281 G282 F283L259-I279 HydrophobicContact CD1-CD1 3.73Å; I271-I279 HydrophobicContact CD1-CD1 3.71Å; E275-I279 WeakPolarHBondContact O-CG1 3.44Å; E275-I279 PolarHBondContact O-N 2.94Å; E275-I279 VanDerWaalsContact O-N 3.11Å; L276-I279 WeakPolarHBondContact O-CB 3.29Å; L276-I279 PolarHBondContact O-N 2.93Å; L276-I279 VanDerWaalsContact O-N 3.11Å; A277-I279 VanDerWaalsContact C-N 3.33Å; A277-I279 PolarHBondContact O-N 2.92Å; I279-Q281 PolarHBondContact O-N 3.06Å; I279-G282 CarbonylContact O-C 3.57Å; I279-G282 WeakPolarHBondContact O-CA 3.39Å; I279-G282 PolarHBondContact O-N 3.38Å; I279-G282 VanDerWaalsContact O-N 3.08Å; I279-F283 HydrophobicContact CG2-CD2 4.34Å; I279-F283 HydrophobicContact CG2-CE1 3.83Å; I279-F283 HydrophobicContact CG2-CE2 3.65Å; I279-F283 HydrophobicContact CG2-CZ 3.33Å; I279-F283 PolarHBondContact O-N 3.32Å
280Y98.8Very high98.4Very high0 Ų046.4 Ų46.40%026%0.256CS..Hα-helixtrans-62.2-41.9177.8-59.5-40.6000113M165 V246 L276 A277 G282 F283 I284 I292 P295 F296 F307M165-Y280 HydrophobicContact CE-CD1 4.31Å; M165-Y280 HydrophobicContact CE-CE1 3.54Å; M165-Y280 HydrophobicContact SD-CE1 4.33Å; V246-Y280 HydrophobicContact CG1-CE1 4.21Å; V246-Y280 WeakPolarHBondContact CG1-OH 3.44Å; V246-Y280 HydrophobicContact CG2-CE1 3.73Å; L276-Y280 HydrophobicContact CD1-CE1 3.98Å; L276-Y280 HydrophobicContact CD1-CE2 4.01Å; L276-Y280 WeakPolarHBondContact CD1-OH 3.44Å; L276-Y280 HydrophobicContact CD2-CE2 4.15Å; L276-Y280 WeakPolarHBondContact CD2-OH 3.47Å; L276-Y280 HydrophobicContact CG-CD2 4.41Å; L276-Y280 HydrophobicContact CG-CE1 4.43Å; L276-Y280 HydrophobicContact CG-CE2 3.53Å; L276-Y280 WeakPolarHBondContact CG-OH 3.2Å; L276-Y280 WeakPolarHBondContact O-CD2 3.34Å; L276-Y280 PolarHBondContact O-N 2.62Å; L276-Y280 VanDerWaalsContact O-N 3.07Å; A277-Y280 PolarHBondContact O-N 3.4Å; Y280-G282 VanDerWaalsContact C-N 3.25Å; Y280-G282 PolarHBondContact O-N 3.13Å; Y280-F283 HydrophobicContact CD1-CD2 4.31Å; Y280-F283 WeakPolarHBondContact O-CA 3.34Å; Y280-F283 WeakPolarHBondContact O-CB 3.42Å; Y280-F283 PolarHBondContact O-N 3.35Å; Y280-I284 WeakPolarHBondContact O-CG1 3.42Å; Y280-I284 PolarHBondContact O-N 2.79Å; Y280-I292 HydrophobicContact CD1-CD1 4.36Å; Y280-I292 HydrophobicContact CG-CD1 4.31Å; Y280-P295 HydrophobicContact CD2-CB 3.99Å; Y280-P295 HydrophobicContact CE2-CB 3.45Å; Y280-P295 VanDerWaalsContact CE2-CB 3.45Å; Y280-P295 WeakPolarHBondContact CE2-O 3.46Å; Y280-P295 PolarHBondContact OH-O 3.39Å; Y280-F296 HydrophobicContact CD2-CZ 4.35Å; Y280-F296 HydrophobicContact CE2-CE1 4.3Å; Y280-F296 HydrophobicContact CE2-CZ 4.14Å; Y280-F307 HydrophobicContact CD2-CE1 4.48Å; Y280-F307 AromaticContact CD2-CE2 3.99Å; Y280-F307 HydrophobicContact CD2-CE2 3.99Å; Y280-F307 AromaticContact CD2-CZ 3.97Å; Y280-F307 HydrophobicContact CD2-CZ 3.97Å; Y280-F307 HydrophobicContact CG-CE2 4.31Å; Y280-F307 HydrophobicContact CG-CZ 4.17Å
281Q98.5Very high98.5Very high79 Ų7945.7 Ų45.737%0.36925%0.253SS..Hα-helixtrans-60.3-39.4173-72-172.212.600111.2A277 S278 I279 F283 I284 N285 S310A277-Q281 WeakPolarHBondContact O-CG 3.06Å; A277-Q281 PolarHBondContact O-N 2.77Å; S278-Q281 PolarHBondContact O-N 2.87Å; I279-Q281 PolarHBondContact O-N 3.06Å; Q281-F283 VanDerWaalsContact C-N 3.29Å; Q281-F283 PolarHBondContact O-N 2.77Å; Q281-I284 PolarHBondContact O-N 2.91Å; Q281-N285 WeakPolarHBondContact O-CB 3.21Å; Q281-N285 PolarHBondContact O-N 3.08Å; Q281-N285 PolarHBondContact O-ND2 3.37Å; Q281-N285 VanDerWaalsContact O-ND2 3.1Å; Q281-S310 PolarHBondContact NE2-OG 2.93Å
282G98.4Very high98.5Very high24 Ų2444.2 Ų44.225%0.24725%0.245CC..Hα-helixtrans-56.4-41.4170.200000112.6S278 I279 Y280 N286S278-G282 PolarHBondContact O-N 3.3Å; I279-G282 CarbonylContact O-C 3.57Å; I279-G282 WeakPolarHBondContact O-CA 3.39Å; I279-G282 PolarHBondContact O-N 3.38Å; I279-G282 VanDerWaalsContact O-N 3.08Å; Y280-G282 VanDerWaalsContact C-N 3.25Å; Y280-G282 PolarHBondContact O-N 3.13Å; G282-N286 WeakPolarHBondContact O-CB 3.37Å; G282-N286 PolarHBondContact O-N 2.7Å; G282-N286 PolarHBondContact O-ND2 2.81Å
283F98.6Very high98.5Very high16 Ų1643 Ų437%0.0724%0.236CC..Hα-helixtrans-69-45.7177.6-61.7-17.2000112.7M165 N220 L224 M244 I279 Y280 Q281 N285 N286 Y287M165-F283 HydrophobicContact CE-CE2 3.78Å; M165-F283 HydrophobicContact CE-CZ 4.49Å; M165-F283 HydrophobicContact SD-CE2 3.93Å; N220-F283 HydrophobicContact CB-CE2 4.07Å; N220-F283 HydrophobicContact CB-CZ 3.85Å; L224-F283 HydrophobicContact CD1-CB 3.81Å; L224-F283 HydrophobicContact CD1-CD1 3.72Å; L224-F283 HydrophobicContact CD1-CD2 3.79Å; L224-F283 HydrophobicContact CD1-CE1 4.23Å; L224-F283 HydrophobicContact CD1-CE2 4.26Å; L224-F283 HydrophobicContact CD1-CG 3.5Å; L224-F283 VanDerWaalsContact CD1-CG 3.5Å; L224-F283 HydrophobicContact CD1-CZ 4.48Å; M244-F283 HydrophobicContact CE-CD2 3.81Å; M244-F283 HydrophobicContact CE-CE2 3.98Å; M244-F283 HydrophobicContact SD-CD2 4.03Å; I279-F283 HydrophobicContact CG2-CD2 4.34Å; I279-F283 HydrophobicContact CG2-CE1 3.83Å; I279-F283 HydrophobicContact CG2-CE2 3.65Å; I279-F283 HydrophobicContact CG2-CZ 3.33Å; I279-F283 PolarHBondContact O-N 3.32Å; Y280-F283 HydrophobicContact CD1-CD2 4.31Å; Y280-F283 WeakPolarHBondContact O-CA 3.34Å; Y280-F283 WeakPolarHBondContact O-CB 3.42Å; Y280-F283 PolarHBondContact O-N 3.35Å; Q281-F283 VanDerWaalsContact C-N 3.29Å; Q281-F283 PolarHBondContact O-N 2.77Å; F283-N285 VanDerWaalsContact C-N 3.25Å; F283-N285 PolarHBondContact O-N 3.11Å; F283-N286 PolarHBondContact O-N 3.46Å; F283-Y287 HydrophobicContact CB-CD2 4.43Å; F283-Y287 HydrophobicContact CD1-CE2 4.36Å; F283-Y287 WeakPolarHBondContact O-CB 3.35Å; F283-Y287 WeakPolarHBondContact O-CD2 3.13Å; F283-Y287 PolarHBondContact O-N 2.94Å
284I98.6Very high98.6Very high38 Ų3842.3 Ų42.320%0.19523%0.231CC..Hα-helixtrans-60.3-36.7178.2-65.4161.4000111.4Y280 Q281 V289 I292 F307 V311 I313Y280-I284 WeakPolarHBondContact O-CG1 3.42Å; Y280-I284 PolarHBondContact O-N 2.79Å; Q281-I284 PolarHBondContact O-N 2.91Å; I284-V289 HydrophobicContact CG1-CB 4.49Å; I284-V289 HydrophobicContact CG1-CG1 4.4Å; I284-I292 HydrophobicContact CD1-CD1 4.1Å; I284-I292 HydrophobicContact CG1-CD1 4.19Å; I284-F307 HydrophobicContact CD1-CZ 4.22Å; I284-V311 HydrophobicContact CD1-CB 4.39Å; I284-V311 HydrophobicContact CD1-CG1 3.83Å; I284-I313 HydrophobicContact CD1-CD1 3.68Å; I284-I313 HydrophobicContact CD1-CG1 4.09Å; I284-I313 HydrophobicContact CG1-CD1 3.95Å; I284-I313 HydrophobicContact CG2-CG2 4.11Å
285N98.1Very high98.6Very high125 Ų12537 Ų3767%0.66821%0.206SC*.Hα-helixtrans-77-28.3-178.8-70.3-25.9000113.6Q281 F283Q281-N285 WeakPolarHBondContact O-CB 3.21Å; Q281-N285 PolarHBondContact O-N 3.08Å; Q281-N285 PolarHBondContact O-ND2 3.37Å; Q281-N285 VanDerWaalsContact O-ND2 3.1Å; F283-N285 VanDerWaalsContact C-N 3.25Å; F283-N285 PolarHBondContact O-N 3.11Å
286N98.2Very high98.6Very high111 Ų11132.1 Ų32.159%0.59418%0.183SC*.Hα-helixtrans-106.9-16.2-171.1-66.6-50.9000114G282 F283G282-N286 WeakPolarHBondContact O-CB 3.37Å; G282-N286 PolarHBondContact O-N 2.7Å; G282-N286 PolarHBondContact O-ND2 2.81Å; F283-N286 PolarHBondContact O-N 3.46Å
287Y98.4Very high98.6Very high35 Ų3532.8 Ų32.814%0.13719%0.187CC..SBendtrans-133.9156.3-177.1-55.5-79.3000109.9L224 E225 K228 F283 V289L224-Y287 HydrophobicContact CB-CD1 3.79Å; L224-Y287 HydrophobicContact CB-CD2 3.96Å; L224-Y287 HydrophobicContact CB-CE1 3.81Å; L224-Y287 HydrophobicContact CB-CE2 3.97Å; L224-Y287 HydrophobicContact CB-CG 3.87Å; L224-Y287 HydrophobicContact CD1-CD2 3.63Å; L224-Y287 HydrophobicContact CD1-CE2 3.92Å; L224-Y287 HydrophobicContact CD1-CG 4.15Å; L224-Y287 HydrophobicContact CG-CD2 4.38Å; L224-Y287 HydrophobicContact CG-CG 4.5Å; E225-Y287 HydrophobicContact CB-CE1 4.47Å; E225-Y287 WeakPolarHBondContact OE2-CE1 3.37Å; E225-Y287 PolarHBondContact OE2-OH 2.97Å; K228-Y287 HydrophobicContact CB-CD1 4.39Å; K228-Y287 HydrophobicContact CD-CD1 4.07Å; K228-Y287 HydrophobicContact CD-CE1 4.22Å; F283-Y287 HydrophobicContact CB-CD2 4.43Å; F283-Y287 HydrophobicContact CD1-CE2 4.36Å; F283-Y287 WeakPolarHBondContact O-CB 3.35Å; F283-Y287 WeakPolarHBondContact O-CD2 3.13Å; F283-Y287 PolarHBondContact O-N 2.94Å; Y287-V289 PolarHBondContact O-N 2.97Å
288P97.8Very high98.6Very high53 Ų5332.9 Ų32.934%0.34419%0.185SC..  trans-75.950.4179.433.6-37.3000111.9V241 I242V241-P288 WeakPolarHBondContact CB-O 3.43Å; V241-P288 HydrophobicContact CG1-CB 4.43Å; I242-P288 HydrophobicContact CD1-CG 4.14Å; I242-P288 HydrophobicContact CG1-CG 4.2Å; I242-P288 PolarHBondContact N-O 3.1Å
289V98.8Very high98.5Very high6 Ų631.9 Ų31.94%0.03617%0.173CC..EExtended strand (participates in β ladder)trans-78120.2178.51770000109.1L224 I242 M244 I284 Y287 I292 I313L224-V289 HydrophobicContact CD2-CG2 4.15Å; I242-V289 HydrophobicContact CB-CG2 4.12Å; I242-V289 HydrophobicContact CG2-CG2 3.98Å; I242-V289 CarbonylContact O-C 3.56Å; I242-V289 WeakPolarHBondContact O-CA 3.25Å; M244-V289 HydrophobicContact CG-CG1 4.45Å; M244-V289 HydrophobicContact SD-CG1 4.2Å; M244-V289 HydrophobicContact SD-CG2 4.09Å; I284-V289 HydrophobicContact CG1-CB 4.49Å; I284-V289 HydrophobicContact CG1-CG1 4.4Å; Y287-V289 PolarHBondContact O-N 2.97Å; V289-I292 HydrophobicContact CG1-CD1 4.04Å; V289-I292 HydrophobicContact CG1-CG1 3.73Å; V289-I313 HydrophobicContact CG1-CD1 4.45Å
290V98.8Very high98.5Very high37 Ų3730.9 Ų30.922%0.22417%0.169CC..EExtended strand (participates in β ladder)trans-119-7.9-177.7-59.80000113.7V241 I242 I313 Q314 F428V241-V290 HydrophobicContact CB-CG1 3.85Å; V241-V290 HydrophobicContact CB-CG2 3.91Å; V241-V290 HydrophobicContact CG1-CG1 4.04Å; V241-V290 HydrophobicContact CG2-CB 4.37Å; V241-V290 HydrophobicContact CG2-CG1 4.09Å; V241-V290 HydrophobicContact CG2-CG2 3.37Å; I242-V290 PolarHBondContact O-N 3.4Å; V290-I313 WeakPolarHBondContact O-CB 3.38Å; V290-Q314 WeakPolarHBondContact O-CB 3.33Å; V290-Q314 PolarHBondContact O-N 3.38Å; V290-F428 HydrophobicContact CG2-CZ 4.1Å
291S98.9Very high98.5Very high2 Ų231.2 Ų31.21%0.01417%0.17CC..EExtended strand (participates in β ladder)trans-146.8129.8179.4-169.20000110.4G243 M244 Q314 V316G243-S291 CarbonylContact C-O 3.57Å; G243-S291 VanDerWaalsContact CA-O 3.29Å; G243-S291 WeakPolarHBondContact CA-O 3.3Å; M244-S291 PolarHBondContact N-O 3.26Å; S291-Q314 CarbonylContact C-O 3.58Å; S291-Q314 VanDerWaalsContact CA-O 3.3Å; S291-Q314 WeakPolarHBondContact CA-O 3.49Å; S291-Q314 PolarHBondContact OG-NE2 2.91Å; S291-V316 WeakPolarHBondContact OG-CG2 3.39Å
292I98.9Very high98.5Very high0 Ų031 Ų310%018%0.176CC..EExtended strand (participates in β ladder)trans-127.5123171.3-63.4178.2000108.4M244 V246 Y280 I284 V289 P295 F307 I313 Q314 V315 V316M244-I292 HydrophobicContact CB-CG1 4.47Å; M244-I292 CarbonylContact O-C 3.58Å; M244-I292 WeakPolarHBondContact O-CA 3.25Å; V246-I292 HydrophobicContact CG2-CG2 3.81Å; Y280-I292 HydrophobicContact CD1-CD1 4.36Å; Y280-I292 HydrophobicContact CG-CD1 4.31Å; I284-I292 HydrophobicContact CD1-CD1 4.1Å; I284-I292 HydrophobicContact CG1-CD1 4.19Å; V289-I292 HydrophobicContact CG1-CD1 4.04Å; V289-I292 HydrophobicContact CG1-CG1 3.73Å; I292-P295 HydrophobicContact CG2-CB 3.91Å; I292-P295 HydrophobicContact CG2-CG 4.39Å; I292-F307 HydrophobicContact CD1-CZ 4.19Å; I292-I313 HydrophobicContact CB-CD1 4.19Å; I292-I313 HydrophobicContact CD1-CD1 3.84Å; I292-I313 HydrophobicContact CG1-CD1 3.69Å; I292-Q314 PolarHBondContact N-O 3.3Å; I292-V315 CarbonylContact O-C 3.57Å; I292-V315 VanDerWaalsContact O-CA 3.3Å; I292-V315 WeakPolarHBondContact O-CA 3.41Å; I292-V316 PolarHBondContact O-N 2.9Å
293E98.9Very high98.5Very high1 Ų130.2 Ų30.21%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-101.3141.5175.8-179.9-174.8141.400110.4M244 D245 V246 P295 V316 D318 L341 K394M244-E293 WeakPolarHBondContact O-CB 3.46Å; M244-E293 PolarHBondContact O-N 3.01Å; D245-E293 HydrophobicContact CB-CB 3.94Å; D245-E293 HydrophobicContact CB-CG 4.2Å; V246-E293 PolarHBondContact N-O 3.22Å; E293-P295 VanDerWaalsContact C-CD 3.45Å; E293-V316 WeakPolarHBondContact CA-O 3.39Å; E293-V316 HydrophobicContact CB-CB 3.75Å; E293-V316 HydrophobicContact CB-CG1 4.38Å; E293-V316 HydrophobicContact CB-CG2 4.31Å; E293-V316 HydrophobicContact CG-CB 3.93Å; E293-V316 HydrophobicContact CG-CG1 4.09Å; E293-D318 HydrophobicContact CG-CB 3.93Å; E293-D318 WeakPolarHBondContact OE1-CB 3.3Å; E293-L341 WeakPolarHBondContact OE1-CD2 3.43Å; E293-L341 WeakPolarHBondContact OE2-CD1 3.38Å; E293-K394 IonicContact OE1-NZ 3.83Å; E293-K394 PolarHBondContact OE1-NZ 3.42Å; E293-K394 WeakPolarHBondContact OE2-CE 3.43Å; E293-K394 IonicContact OE2-NZ 3.5Å; E293-K394 PolarHBondContact OE2-NZ 3.48Å
294D98.7Very high98.6Very high0 Ų029.5 Ų29.50%016%0.163CC..  trans42.753.2179.3-75.22.2000115.2V246 A248 F296 W304 V316 D318 D319V246-D294 WeakPolarHBondContact CB-O 3.47Å; A248-D294 VanDerWaalsContact CB-O 3.24Å; A248-D294 WeakPolarHBondContact CB-O 3.48Å; A248-D294 PolarHBondContact N-O 3.4Å; A248-D294 VanDerWaalsContact N-O 3.1Å; D294-F296 PolarHBondContact O-N 2.77Å; D294-F296 VanDerWaalsContact O-N 3.16Å; D294-W304 HydrophobicContact CB-CH2 4.39Å; D294-W304 HydrophobicContact CB-CZ2 4.34Å; D294-W304 WeakPolarHBondContact OD1-CH2 3.29Å; D294-W304 WeakPolarHBondContact OD1-CZ2 3.11Å; D294-V316 PolarHBondContact N-O 3.08Å; D294-V316 VanDerWaalsContact N-O 3.1Å; D294-D318 PolarHBondContact OD1-N 3.06Å; D294-D318 WeakPolarHBondContact OD2-CB 3.46Å; D294-D319 PolarHBondContact OD1-N 2.98Å; D294-D319 VanDerWaalsContact OD2-CB 3.27Å; D294-D319 WeakPolarHBondContact OD2-CB 3.47Å; D294-D319 PolarHBondContact OD2-N 2.99Å
295P98.8Very high98.6Very high0 Ų029 Ų290%016%0.163CC..  trans-62.7-19.6178.426.6-35.6000113.7Y280 I292 E293 W304 F307 V315Y280-P295 HydrophobicContact CD2-CB 3.99Å; Y280-P295 HydrophobicContact CE2-CB 3.45Å; Y280-P295 VanDerWaalsContact CE2-CB 3.45Å; Y280-P295 WeakPolarHBondContact CE2-O 3.46Å; Y280-P295 PolarHBondContact OH-O 3.39Å; I292-P295 HydrophobicContact CG2-CB 3.91Å; I292-P295 HydrophobicContact CG2-CG 4.39Å; E293-P295 VanDerWaalsContact C-CD 3.45Å; P295-W304 HydrophobicContact CG-CD2 4.49Å; P295-W304 HydrophobicContact CG-CE3 4.14Å; P295-W304 HydrophobicContact CG-CH2 4.37Å; P295-W304 HydrophobicContact CG-CZ3 4.1Å; P295-F307 HydrophobicContact CB-CD1 4.25Å; P295-F307 HydrophobicContact CB-CE1 4.17Å; P295-F307 HydrophobicContact CG-CD1 4.03Å; P295-F307 HydrophobicContact CG-CE1 4.18Å; P295-V315 HydrophobicContact CG-CG1 4.11Å
296F98.8Very high98.6Very high1 Ų128.8 Ų28.80%0.00416%0.158CC..SBendtrans-138.5167.2-179.7-55.6-73.1000110.4Y257 A273 L276 A277 Y280 D294 D300 A303 W304 F307Y257-F296 HydrophobicContact CE2-CD1 4.17Å; Y257-F296 AromaticContact CZ-CD1 3.94Å; Y257-F296 WeakPolarHBondContact OH-CB 3.48Å; A273-F296 HydrophobicContact CB-CD1 4.16Å; A273-F296 HydrophobicContact CB-CE1 4.1Å; A273-F296 WeakPolarHBondContact O-CE1 3.19Å; L276-F296 HydrophobicContact CB-CE1 4.45Å; L276-F296 HydrophobicContact CD2-CD1 4.32Å; L276-F296 HydrophobicContact CD2-CE1 4.35Å; L276-F296 HydrophobicContact CG-CE1 4.42Å; A277-F296 HydrophobicContact CB-CE1 4.46Å; A277-F296 HydrophobicContact CB-CZ 3.97Å; Y280-F296 HydrophobicContact CD2-CZ 4.35Å; Y280-F296 HydrophobicContact CE2-CE1 4.3Å; Y280-F296 HydrophobicContact CE2-CZ 4.14Å; D294-F296 PolarHBondContact O-N 2.77Å; D294-F296 VanDerWaalsContact O-N 3.16Å; F296-D300 HydrophobicContact CB-CB 4.28Å; F296-A303 HydrophobicContact CB-CB 4.1Å; F296-A303 HydrophobicContact CD1-CB 3.62Å; F296-A303 HydrophobicContact CD2-CB 3.9Å; F296-A303 HydrophobicContact CE1-CB 4.02Å; F296-A303 HydrophobicContact CE2-CB 4.31Å; F296-A303 HydrophobicContact CG-CB 3.56Å; F296-A303 HydrophobicContact CZ-CB 4.35Å; F296-W304 HydrophobicContact CB-CG 4.33Å; F296-W304 HydrophobicContact CD2-CD2 4.45Å; F296-W304 HydrophobicContact CD2-CG 4.21Å; F296-W304 PolarHBondContact O-NE1 2.9Å; F296-F307 HydrophobicContact CD2-CB 4.46Å; F296-F307 HydrophobicContact CE2-CB 3.34Å; F296-F307 AromaticContact CE2-CD1 3.9Å; F296-F307 HydrophobicContact CE2-CD1 3.9Å; F296-F307 HydrophobicContact CE2-CD2 4.45Å; F296-F307 AromaticContact CE2-CG 3.65Å; F296-F307 HydrophobicContact CE2-CG 3.65Å; F296-F307 HydrophobicContact CZ-CB 3.79Å; F296-F307 HydrophobicContact CZ-CD2 4.37Å; F296-F307 HydrophobicContact CZ-CG 4.01Å
297D98.6Very high98.6Very high15 Ų1523.6 Ų23.68%0.0813%0.131CC..  trans-56.1147.6176.6175.375.7000111.6F252 Y257 D299 D300 W304F252-D297 HydrophobicContact CB-CB 3.8Å; F252-D297 HydrophobicContact CD1-CB 3.62Å; F252-D297 HydrophobicContact CD2-CB 3.86Å; F252-D297 HydrophobicContact CE1-CB 4.04Å; F252-D297 HydrophobicContact CE2-CB 4.24Å; F252-D297 HydrophobicContact CG-CB 3.5Å; F252-D297 HydrophobicContact CZ-CB 4.31Å; Y257-D297 HydrophobicContact CE1-CB 4.28Å; Y257-D297 PolarHBondContact OH-N 2.79Å; D297-D299 PolarHBondContact O-N 2.66Å; D297-D299 PolarHBondContact OD2-N 2.88Å; D297-D300 HydrophobicContact CB-CB 4.12Å; D297-D300 PolarHBondContact O-N 3.12Å; D297-W304 PolarHBondContact O-NE1 3.45Å
298Q98.1Very high98.6Very high16 Ų1622.8 Ų22.88%0.07513%0.129CC..THydrogen-bonded Turntrans-55.2-16.3-179.265.8-161.7-39.900115.2G42 Y44 S249 D319 L320 R327G42-Q298 VanDerWaalsContact CA-OE1 3.26Å; Y44-Q298 HydrophobicContact CE2-CG 4.32Å; S249-Q298 PolarHBondContact OG-N 2.83Å; S249-Q298 VanDerWaalsContact OG-N 3.08Å; Q298-D319 HydrophobicContact CB-CB 3.97Å; Q298-L320 WeakPolarHBondContact O-CD1 3.39Å; Q298-R327 PolarHBondContact O-NH2 3.4Å
299D98.3Very high98.7Very high56 Ų5624.6 Ų24.630%0.29915%0.148SC..THydrogen-bonded Turntrans-119.34.5174.7-72.2-43.2000114.7Y44 D297 W301 R327Y44-D299 WeakPolarHBondContact CE2-OD1 3.4Å; Y44-D299 VanDerWaalsContact CE2-OD2 3.32Å; Y44-D299 WeakPolarHBondContact CE2-OD2 3.31Å; Y44-D299 PolarHBondContact OH-OD1 2.95Å; Y44-D299 VanDerWaalsContact OH-OD1 3.06Å; Y44-D299 PolarHBondContact OH-OD2 2.54Å; D297-D299 PolarHBondContact O-N 2.66Å; D297-D299 PolarHBondContact OD2-N 2.88Å; D299-W301 PolarHBondContact O-N 2.96Å; D299-R327 IonicContact OD1-CZ 3.22Å; D299-R327 IonicContact OD1-NH1 3.42Å; D299-R327 IonicContact OD1-NH2 2.78Å; D299-R327 PolarHBondContact OD1-NH2 2.96Å
300D98.3Very high98.7Very high33 Ų3327.3 Ų27.318%0.17617%0.168CC..  trans-83.653.1175-1661.2000112.4Y257 F296 D297 P302 A303 W304Y257-D300 WeakPolarHBondContact OH-CB 3.46Å; Y257-D300 PolarHBondContact OH-OD2 2.61Å; F296-D300 HydrophobicContact CB-CB 4.28Å; D297-D300 HydrophobicContact CB-CB 4.12Å; D297-D300 PolarHBondContact O-N 3.12Å; D300-P302 VanDerWaalsContact C-N 3.33Å; D300-A303 HydrophobicContact CB-CB 4.29Å; D300-A303 WeakPolarHBondContact O-CB 3.38Å; D300-A303 PolarHBondContact O-N 3.47Å; D300-A303 WeakPolarHBondContact OD1-CB 3.36Å; D300-A303 VanDerWaalsContact OD2-CB 3.31Å; D300-A303 WeakPolarHBondContact OD2-CB 3.34Å; D300-W304 VanDerWaalsContact O-CD1 3.28Å; D300-W304 PolarHBondContact O-N 3.16Å
301W98.7Very high98.6Very high7 Ų726.7 Ų26.73%0.02716%0.164CC..Hα-helixtrans-49.8-40.2-175.9-67.291000115.4D299 W304 S305 L320 R327 R330 A331 E334 A336D299-W301 PolarHBondContact O-N 2.96Å; W301-W304 PolarHBondContact O-N 2.79Å; W301-S305 PolarHBondContact O-N 2.77Å; W301-S305 PolarHBondContact O-OG 2.93Å; W301-L320 HydrophobicContact CD2-CD1 4Å; W301-L320 HydrophobicContact CE3-CD1 3.87Å; W301-L320 HydrophobicContact CH2-CD1 3.57Å; W301-L320 HydrophobicContact CH2-CG 3.96Å; W301-L320 HydrophobicContact CZ2-CD1 3.73Å; W301-L320 HydrophobicContact CZ2-CG 4.49Å; W301-L320 HydrophobicContact CZ3-CD1 3.6Å; W301-L320 HydrophobicContact CZ3-CD2 4.16Å; W301-L320 HydrophobicContact CZ3-CG 4.04Å; W301-R327 VanDerWaalsContact CZ2-NH2 3.28Å; W301-R330 VanDerWaalsContact CD1-CZ 3.46Å; W301-R330 HydrophobicContact CE3-CG 4.42Å; W301-R330 VanDerWaalsContact CG-NH2 3.26Å; W301-R330 HydrophobicContact CH2-CB 4.14Å; W301-R330 HydrophobicContact CH2-CG 3.88Å; W301-R330 HydrophobicContact CZ2-CG 4.13Å; W301-R330 HydrophobicContact CZ3-CG 4.07Å; W301-R330 VanDerWaalsContact NE1-CZ 3.26Å; W301-A331 HydrophobicContact CH2-CB 3.91Å; W301-A331 HydrophobicContact CZ3-CB 3.58Å; W301-E334 VanDerWaalsContact CB-OE2 3.32Å; W301-E334 WeakPolarHBondContact CB-OE2 3.33Å; W301-A336 HydrophobicContact CE3-CB 3.84Å; W301-A336 HydrophobicContact CZ3-CB 3.84Å
302P98.6Very high98.6Very high76 Ų7629.9 Ų29.949%0.49420%0.197SC..Hα-helixtrans-62.2-41.3175.6-23.336000112.9D300 S305 Q306D300-P302 VanDerWaalsContact C-N 3.33Å; P302-S305 PolarHBondContact O-N 3.11Å; P302-Q306 WeakPolarHBondContact O-CB 3.37Å; P302-Q306 WeakPolarHBondContact O-CG 3.38Å; P302-Q306 PolarHBondContact O-N 2.83Å
303A98.8Very high98.6Very high7 Ų730.8 Ų30.86%0.05820%0.202CC..Hα-helixtrans-64.1-45.4178.900000111.6A273 F296 D300 S305 Q306 F307A273-A303 HydrophobicContact CB-CB 3.69Å; F296-A303 HydrophobicContact CB-CB 4.1Å; F296-A303 HydrophobicContact CD1-CB 3.62Å; F296-A303 HydrophobicContact CD2-CB 3.9Å; F296-A303 HydrophobicContact CE1-CB 4.02Å; F296-A303 HydrophobicContact CE2-CB 4.31Å; F296-A303 HydrophobicContact CG-CB 3.56Å; F296-A303 HydrophobicContact CZ-CB 4.35Å; D300-A303 HydrophobicContact CB-CB 4.29Å; D300-A303 WeakPolarHBondContact O-CB 3.38Å; D300-A303 PolarHBondContact O-N 3.47Å; D300-A303 WeakPolarHBondContact OD1-CB 3.36Å; D300-A303 VanDerWaalsContact OD2-CB 3.31Å; D300-A303 WeakPolarHBondContact OD2-CB 3.34Å; A303-S305 PolarHBondContact O-N 3.38Å; A303-Q306 PolarHBondContact O-N 3.1Å; A303-F307 WeakPolarHBondContact O-CB 3.44Å; A303-F307 PolarHBondContact O-N 3.34Å
304W98.9Very high98.6Very high0 Ų030.8 Ų30.80%020%0.202CC..Hα-helixtrans-53.6-53.7173.5-80.794.3000112.2D294 P295 F296 D297 D300 W301 Q306 F307 T308 V315 V316 L320 A336 C337D294-W304 HydrophobicContact CB-CH2 4.39Å; D294-W304 HydrophobicContact CB-CZ2 4.34Å; D294-W304 WeakPolarHBondContact OD1-CH2 3.29Å; D294-W304 WeakPolarHBondContact OD1-CZ2 3.11Å; P295-W304 HydrophobicContact CG-CD2 4.49Å; P295-W304 HydrophobicContact CG-CE3 4.14Å; P295-W304 HydrophobicContact CG-CH2 4.37Å; P295-W304 HydrophobicContact CG-CZ3 4.1Å; F296-W304 HydrophobicContact CB-CG 4.33Å; F296-W304 HydrophobicContact CD2-CD2 4.45Å; F296-W304 HydrophobicContact CD2-CG 4.21Å; F296-W304 PolarHBondContact O-NE1 2.9Å; D297-W304 PolarHBondContact O-NE1 3.45Å; D300-W304 VanDerWaalsContact O-CD1 3.28Å; D300-W304 PolarHBondContact O-N 3.16Å; W301-W304 PolarHBondContact O-N 2.79Å; W304-Q306 PolarHBondContact O-N 3.48Å; W304-F307 PolarHBondContact O-N 3.49Å; W304-T308 WeakPolarHBondContact O-CB 3.4Å; W304-T308 PolarHBondContact O-N 3Å; W304-T308 PolarHBondContact O-OG1 2.98Å; W304-V315 HydrophobicContact CE3-CG1 4.04Å; W304-V315 HydrophobicContact CZ3-CG1 3.85Å; W304-V316 WeakPolarHBondContact CH2-O 3.5Å; W304-L320 HydrophobicContact CD2-CD1 4.4Å; W304-L320 HydrophobicContact CD2-CD2 3.67Å; W304-L320 HydrophobicContact CD2-CG 4.46Å; W304-L320 HydrophobicContact CE3-CD2 3.68Å; W304-L320 HydrophobicContact CG-CD1 4.41Å; W304-L320 HydrophobicContact CG-CD2 4.21Å; W304-L320 HydrophobicContact CH2-CB 3.9Å; W304-L320 HydrophobicContact CH2-CD2 3.94Å; W304-L320 HydrophobicContact CZ2-CB 3.62Å; W304-L320 HydrophobicContact CZ2-CD2 4.02Å; W304-L320 HydrophobicContact CZ2-CG 4.24Å; W304-L320 HydrophobicContact CZ3-CD2 3.8Å; W304-A336 CarbonylContact C-O 3.56Å; W304-A336 HydrophobicContact CB-CB 3.9Å; W304-C337 HydrophobicContact CE3-CB 4Å; W304-C337 HydrophobicContact CZ3-CB 3.81Å
305S98.8Very high98.6Very high27 Ų2730.8 Ų30.819%0.18920%0.202CC..Hα-helixtrans-64-41.6-176.4-54.40000112W301 P302 A303 A309 E334W301-S305 PolarHBondContact O-N 2.77Å; W301-S305 PolarHBondContact O-OG 2.93Å; P302-S305 PolarHBondContact O-N 3.11Å; A303-S305 PolarHBondContact O-N 3.38Å; S305-A309 VanDerWaalsContact O-CB 3.32Å; S305-A309 WeakPolarHBondContact O-CB 3.34Å; S305-A309 PolarHBondContact O-N 3.18Å; S305-A309 VanDerWaalsContact O-N 3.11Å; S305-E334 WeakPolarHBondContact CB-O 3.31Å; S305-E334 PolarHBondContact OG-O 2.93Å; S305-E334 VanDerWaalsContact OG-O 3.09Å
306Q98.6Very high98.6Very high121 Ų12130.8 Ų30.857%0.56520%0.202SC*.Hα-helixtrans-65.2-46177-73.7176.331.300111.9P302 A303 W304 A309 S310P302-Q306 WeakPolarHBondContact O-CB 3.37Å; P302-Q306 WeakPolarHBondContact O-CG 3.38Å; P302-Q306 PolarHBondContact O-N 2.83Å; A303-Q306 PolarHBondContact O-N 3.1Å; W304-Q306 PolarHBondContact O-N 3.48Å; Q306-A309 PolarHBondContact O-N 3.32Å; Q306-S310 PolarHBondContact O-N 2.92Å
307F98.8Very high98.6Very high3 Ų330.7 Ų30.71%0.01320%0.202CC..Hα-helixtrans-66.2-48.2-179.6179.1-111.7000111.8A277 Y280 I284 I292 P295 F296 A303 W304 A309 S310 V311 V315A277-F307 HydrophobicContact CB-CD2 4.03Å; Y280-F307 HydrophobicContact CD2-CE1 4.48Å; Y280-F307 AromaticContact CD2-CE2 3.99Å; Y280-F307 HydrophobicContact CD2-CE2 3.99Å; Y280-F307 AromaticContact CD2-CZ 3.97Å; Y280-F307 HydrophobicContact CD2-CZ 3.97Å; Y280-F307 HydrophobicContact CG-CE2 4.31Å; Y280-F307 HydrophobicContact CG-CZ 4.17Å; I284-F307 HydrophobicContact CD1-CZ 4.22Å; I292-F307 HydrophobicContact CD1-CZ 4.19Å; P295-F307 HydrophobicContact CB-CD1 4.25Å; P295-F307 HydrophobicContact CB-CE1 4.17Å; P295-F307 HydrophobicContact CG-CD1 4.03Å; P295-F307 HydrophobicContact CG-CE1 4.18Å; F296-F307 HydrophobicContact CD2-CB 4.46Å; F296-F307 HydrophobicContact CE2-CB 3.34Å; F296-F307 AromaticContact CE2-CD1 3.9Å; F296-F307 HydrophobicContact CE2-CD1 3.9Å; F296-F307 HydrophobicContact CE2-CD2 4.45Å; F296-F307 AromaticContact CE2-CG 3.65Å; F296-F307 HydrophobicContact CE2-CG 3.65Å; F296-F307 HydrophobicContact CZ-CB 3.79Å; F296-F307 HydrophobicContact CZ-CD2 4.37Å; F296-F307 HydrophobicContact CZ-CG 4.01Å; A303-F307 WeakPolarHBondContact O-CB 3.44Å; A303-F307 PolarHBondContact O-N 3.34Å; W304-F307 PolarHBondContact O-N 3.49Å; F307-A309 VanDerWaalsContact C-N 3.26Å; F307-A309 PolarHBondContact O-N 2.66Å; F307-S310 WeakPolarHBondContact O-CA 3.47Å; F307-S310 WeakPolarHBondContact O-CB 3.35Å; F307-S310 PolarHBondContact O-N 3.16Å; F307-S310 PolarHBondContact O-OG 3.25Å; F307-V311 HydrophobicContact CD2-CG1 4.14Å; F307-V311 HydrophobicContact CE1-CG1 4.45Å; F307-V311 HydrophobicContact CE1-CG2 4.24Å; F307-V311 HydrophobicContact CE2-CG1 3.66Å; F307-V311 HydrophobicContact CZ-CG1 3.84Å; F307-V311 HydrophobicContact CZ-CG2 4.4Å; F307-V311 PolarHBondContact O-N 3.22Å; F307-V315 HydrophobicContact CD1-CG2 4.3Å; F307-V315 HydrophobicContact CE1-CG2 4.11Å
308T98.9Very high98.6Very high18 Ų1830.1 Ų30.111%0.1120%0.198CC..Hα-helixtrans-59.3-37178.3-67.10000111.8W304 S310 V315 K335 A336W304-T308 WeakPolarHBondContact O-CB 3.4Å; W304-T308 PolarHBondContact O-N 3Å; W304-T308 PolarHBondContact O-OG1 2.98Å; T308-S310 PolarHBondContact O-N 3.03Å; T308-V315 WeakPolarHBondContact OG1-CG1 3.43Å; T308-K335 WeakPolarHBondContact CG2-O 3.34Å; T308-A336 WeakPolarHBondContact CB-O 3.42Å; T308-A336 PolarHBondContact OG1-O 3.05Å
309A98.6Very high98.5Very high90 Ų9029.4 Ų29.474%0.74420%0.195SC*.Hα-helixtrans-67.6-22.2173.800000113.7S305 Q306 F307S305-A309 VanDerWaalsContact O-CB 3.32Å; S305-A309 WeakPolarHBondContact O-CB 3.34Å; S305-A309 PolarHBondContact O-N 3.18Å; S305-A309 VanDerWaalsContact O-N 3.11Å; Q306-A309 PolarHBondContact O-N 3.32Å; F307-A309 VanDerWaalsContact C-N 3.26Å; F307-A309 PolarHBondContact O-N 2.66Å
310S98.3Very high98.6Very high63 Ų6326.8 Ų26.844%0.44118%0.181SC..Hα-helixtrans-93.1-10.6-176.677.80000114.7Q281 Q306 F307 T308Q281-S310 PolarHBondContact NE2-OG 2.93Å; Q306-S310 PolarHBondContact O-N 2.92Å; F307-S310 WeakPolarHBondContact O-CA 3.47Å; F307-S310 WeakPolarHBondContact O-CB 3.35Å; F307-S310 PolarHBondContact O-N 3.16Å; F307-S310 PolarHBondContact O-OG 3.25Å; T308-S310 PolarHBondContact O-N 3.03Å
311V98.4Very high98.6Very high24 Ų2425.2 Ų25.215%0.14517%0.173CC..  trans-123.8149.1-173.7-58.10000112.9I284 F307 I313 V315I284-V311 HydrophobicContact CD1-CB 4.39Å; I284-V311 HydrophobicContact CD1-CG1 3.83Å; F307-V311 HydrophobicContact CD2-CG1 4.14Å; F307-V311 HydrophobicContact CE1-CG1 4.45Å; F307-V311 HydrophobicContact CE1-CG2 4.24Å; F307-V311 HydrophobicContact CE2-CG1 3.66Å; F307-V311 HydrophobicContact CZ-CG1 3.84Å; F307-V311 HydrophobicContact CZ-CG2 4.4Å; F307-V311 PolarHBondContact O-N 3.22Å; V311-I313 HydrophobicContact CB-CG1 4.11Å; V311-I313 HydrophobicContact CG2-CG1 3.91Å; V311-V315 HydrophobicContact CG2-CG2 3.71Å
312G97.9Very high98.5Very high70 Ų7024.9 Ų24.972%0.72217%0.172SC*.SBendtrans-94.5-4.1175.700000114.8R429G312-R429 PolarHBondContact O-NH1 3.34Å
313I98.8Very high98.5Very high19 Ų1921.3 Ų21.310%0.09715%0.148CC..SBendtrans-80.7179.7-175.766.7155.4000111.9I284 V289 V290 I292 V311 N338 R429I284-I313 HydrophobicContact CD1-CD1 3.68Å; I284-I313 HydrophobicContact CD1-CG1 4.09Å; I284-I313 HydrophobicContact CG1-CD1 3.95Å; I284-I313 HydrophobicContact CG2-CG2 4.11Å; V289-I313 HydrophobicContact CG1-CD1 4.45Å; V290-I313 WeakPolarHBondContact O-CB 3.38Å; I292-I313 HydrophobicContact CB-CD1 4.19Å; I292-I313 HydrophobicContact CD1-CD1 3.84Å; I292-I313 HydrophobicContact CG1-CD1 3.69Å; V311-I313 HydrophobicContact CB-CG1 4.11Å; V311-I313 HydrophobicContact CG2-CG1 3.91Å; I313-N338 PolarHBondContact O-ND2 3.48Å; I313-N338 VanDerWaalsContact O-ND2 3.12Å; I313-R429 PolarHBondContact O-NH2 3.42Å; I313-R429 VanDerWaalsContact O-NH2 3.1Å
314Q98.9Very high98.4Very high0 Ų022.8 Ų22.80%016%0.155CC..EExtended strand (participates in β ladder)trans-75.4131.5167.4-176.1169.4-90.100110V290 S291 I292 V316 N338 C339V290-Q314 WeakPolarHBondContact O-CB 3.33Å; V290-Q314 PolarHBondContact O-N 3.38Å; S291-Q314 CarbonylContact C-O 3.58Å; S291-Q314 VanDerWaalsContact CA-O 3.3Å; S291-Q314 WeakPolarHBondContact CA-O 3.49Å; S291-Q314 PolarHBondContact OG-NE2 2.91Å; I292-Q314 PolarHBondContact N-O 3.3Å; Q314-V316 HydrophobicContact CG-CG2 3.84Å; Q314-N338 WeakPolarHBondContact CA-OD1 3.32Å; Q314-C339 VanDerWaalsContact CD-SG 3.57Å; Q314-C339 HydrophobicContact CG-CB 3.45Å; Q314-C339 VanDerWaalsContact CG-CB 3.45Å
315V98.9Very high98.2Very high0 Ų024.9 Ų24.90%017%0.169CC..EExtended strand (participates in β ladder)trans-117.9116.7170.8-1770000106.9I292 P295 W304 F307 T308 V311 C337 N338 C339I292-V315 CarbonylContact O-C 3.57Å; I292-V315 VanDerWaalsContact O-CA 3.3Å; I292-V315 WeakPolarHBondContact O-CA 3.41Å; P295-V315 HydrophobicContact CG-CG1 4.11Å; W304-V315 HydrophobicContact CE3-CG1 4.04Å; W304-V315 HydrophobicContact CZ3-CG1 3.85Å; F307-V315 HydrophobicContact CD1-CG2 4.3Å; F307-V315 HydrophobicContact CE1-CG2 4.11Å; T308-V315 WeakPolarHBondContact OG1-CG1 3.43Å; V311-V315 HydrophobicContact CG2-CG2 3.71Å; V315-C337 HydrophobicContact CB-CB 4.34Å; V315-C337 HydrophobicContact CG1-CB 3.99Å; V315-C337 WeakPolarHBondContact O-CB 3.45Å; V315-N338 PolarHBondContact N-OD1 3Å; V315-N338 PolarHBondContact O-N 3.48Å; V315-N338 PolarHBondContact O-OD1 3.07Å; V315-C339 PolarHBondContact O-N 2.89Å
316V98.9Very high98.1Very high0 Ų032.2 Ų32.20%019%0.192CC..EExtended strand (participates in β ladder)trans-102.9127.3-171.6-169.30000109.4S291 I292 E293 D294 W304 Q314 C339 L341S291-V316 WeakPolarHBondContact OG-CG2 3.39Å; I292-V316 PolarHBondContact O-N 2.9Å; E293-V316 WeakPolarHBondContact CA-O 3.39Å; E293-V316 HydrophobicContact CB-CB 3.75Å; E293-V316 HydrophobicContact CB-CG1 4.38Å; E293-V316 HydrophobicContact CB-CG2 4.31Å; E293-V316 HydrophobicContact CG-CB 3.93Å; E293-V316 HydrophobicContact CG-CG1 4.09Å; D294-V316 PolarHBondContact N-O 3.08Å; D294-V316 VanDerWaalsContact N-O 3.1Å; W304-V316 WeakPolarHBondContact CH2-O 3.5Å; Q314-V316 HydrophobicContact CG-CG2 3.84Å; V316-C339 CarbonylContact C-O 3.22Å; V316-C339 WeakPolarHBondContact CA-O 3.33Å; V316-C339 HydrophobicContact CB-CB 4.33Å; V316-C339 HydrophobicContact CG1-CB 4.37Å; V316-C339 HydrophobicContact CG2-CB 3.96Å; V316-L341 HydrophobicContact CG1-CB 3.75Å; V316-L341 HydrophobicContact CG1-CD1 4.14Å
317G98.8Very high98.1Very high0 Ų027.8 Ų27.80%017%0.171CC..EExtended strand (participates in β ladder)trans-93.3115.7169.700000111.3T321 C339 L341G317-T321 PolarHBondContact O-OG1 2.92Å; G317-C339 PolarHBondContact N-O 2.82Å; G317-L341 PolarHBondContact O-N 2.71Å
318D98.4Very high98.1Very high2 Ų227.7 Ų27.71%0.01117%0.17CC..SBendtrans-105.4-84.8171.8175.527.4000110.1E293 D294 L320 T321 V322 L341 K343 Q346E293-D318 HydrophobicContact CG-CB 3.93Å; E293-D318 WeakPolarHBondContact OE1-CB 3.3Å; D294-D318 PolarHBondContact OD1-N 3.06Å; D294-D318 WeakPolarHBondContact OD2-CB 3.46Å; D318-L320 PolarHBondContact O-N 3.35Å; D318-T321 PolarHBondContact O-N 3.31Å; D318-T321 PolarHBondContact O-OG1 2.95Å; D318-V322 WeakPolarHBondContact O-CA 3.44Å; D318-V322 PolarHBondContact O-N 3Å; D318-L341 HydrophobicContact CB-CB 3.83Å; D318-L341 HydrophobicContact CB-CD2 3.64Å; D318-L341 HydrophobicContact CB-CG 4.37Å; D318-L341 WeakPolarHBondContact OD1-CD2 3.49Å; D318-K343 WeakPolarHBondContact OD1-CD 3.44Å; D318-K343 IonicContact OD1-NZ 3.24Å; D318-K343 PolarHBondContact OD1-NZ 2.72Å; D318-K343 IonicContact OD2-NZ 2.72Å; D318-K343 PolarHBondContact OD2-NZ 2.78Å; D318-Q346 PolarHBondContact OD1-NE2 2.91Å
319D96.9Very high98Very high2 Ų230.3 Ų30.31%0.01118%0.181CC..THydrogen-bonded Turntrans-64-26.9178-72.2-24.2000112G42 D294 Q298 T321 V322G42-D319 VanDerWaalsContact CA-OD1 3.26Å; G42-D319 WeakPolarHBondContact CA-OD1 3.44Å; G42-D319 PolarHBondContact N-OD1 2.98Å; D294-D319 PolarHBondContact OD1-N 2.98Å; D294-D319 VanDerWaalsContact OD2-CB 3.27Å; D294-D319 WeakPolarHBondContact OD2-CB 3.47Å; D294-D319 PolarHBondContact OD2-N 2.99Å; Q298-D319 HydrophobicContact CB-CB 3.97Å; D319-T321 VanDerWaalsContact C-N 3.25Å; D319-T321 PolarHBondContact O-N 3.06Å; D319-V322 WeakPolarHBondContact O-CG1 3.25Å
320L98.5Very high98Very high0 Ų030.6 Ų30.60%016%0.163CC..THydrogen-bonded Turntrans-57.6-40.3171.8179.870.2000111.8Q298 W301 W304 D318 R327 A331 A336 C337Q298-L320 WeakPolarHBondContact O-CD1 3.39Å; W301-L320 HydrophobicContact CD2-CD1 4Å; W301-L320 HydrophobicContact CE3-CD1 3.87Å; W301-L320 HydrophobicContact CH2-CD1 3.57Å; W301-L320 HydrophobicContact CH2-CG 3.96Å; W301-L320 HydrophobicContact CZ2-CD1 3.73Å; W301-L320 HydrophobicContact CZ2-CG 4.49Å; W301-L320 HydrophobicContact CZ3-CD1 3.6Å; W301-L320 HydrophobicContact CZ3-CD2 4.16Å; W301-L320 HydrophobicContact CZ3-CG 4.04Å; W304-L320 HydrophobicContact CD2-CD1 4.4Å; W304-L320 HydrophobicContact CD2-CD2 3.67Å; W304-L320 HydrophobicContact CD2-CG 4.46Å; W304-L320 HydrophobicContact CE3-CD2 3.68Å; W304-L320 HydrophobicContact CG-CD1 4.41Å; W304-L320 HydrophobicContact CG-CD2 4.21Å; W304-L320 HydrophobicContact CH2-CB 3.9Å; W304-L320 HydrophobicContact CH2-CD2 3.94Å; W304-L320 HydrophobicContact CZ2-CB 3.62Å; W304-L320 HydrophobicContact CZ2-CD2 4.02Å; W304-L320 HydrophobicContact CZ2-CG 4.24Å; W304-L320 HydrophobicContact CZ3-CD2 3.8Å; D318-L320 PolarHBondContact O-N 3.35Å; L320-R327 WeakPolarHBondContact O-CD 3.47Å; L320-R327 PolarHBondContact O-NE 2.61Å; L320-A331 HydrophobicContact CD2-CB 4.25Å; L320-A336 HydrophobicContact CD2-CB 4.01Å; L320-C337 HydrophobicContact CD2-CB 4.49Å
321T98.6Very high98.1Very high0 Ų027.6 Ų27.60%014%0.142CC..THydrogen-bonded Turntrans-111.3-25.7-169.469.30000113.5G317 D318 D319 T323 N324 I328 A331 L340G317-T321 PolarHBondContact O-OG1 2.92Å; D318-T321 PolarHBondContact O-N 3.31Å; D318-T321 PolarHBondContact O-OG1 2.95Å; D319-T321 VanDerWaalsContact C-N 3.25Å; D319-T321 PolarHBondContact O-N 3.06Å; T321-T323 PolarHBondContact O-N 3.45Å; T321-N324 WeakPolarHBondContact O-CB 3.43Å; T321-N324 PolarHBondContact O-N 2.92Å; T321-I328 HydrophobicContact CG2-CG1 4.32Å; T321-A331 HydrophobicContact CG2-CB 4.21Å; T321-L340 WeakPolarHBondContact OG1-CD1 3.23Å
322V97.6Very high98.1Very high1 Ų127.7 Ų27.71%0.00614%0.142CC..THydrogen-bonded Turntrans42.337.1-179-68.70000113.5E45 D318 D319 N324 Q346E45-V322 HydrophobicContact CG-CB 4.11Å; E45-V322 HydrophobicContact CG-CG1 3.67Å; D318-V322 WeakPolarHBondContact O-CA 3.44Å; D318-V322 PolarHBondContact O-N 3Å; D319-V322 WeakPolarHBondContact O-CG1 3.25Å; V322-N324 HydrophobicContact CG2-CB 3.82Å; V322-N324 PolarHBondContact O-N 2.82Å; V322-Q346 VanDerWaalsContact C-OE1 3.25Å; V322-Q346 VanDerWaalsContact CA-OE1 3.31Å; V322-Q346 HydrophobicContact CB-CB 4.43Å; V322-Q346 WeakPolarHBondContact O-CB 3.49Å
323T98.4Very high98.1Very high0 Ų030.7 Ų30.70%014%0.138CC..THydrogen-bonded Turntrans52.923.1-174.6-50.90000113.3T321 L341 L342 K343 Q346 I347 A356T321-T323 PolarHBondContact O-N 3.45Å; T323-L341 PolarHBondContact OG1-O 3.37Å; T323-L342 HydrophobicContact CG2-CD1 3.46Å; T323-L342 VanDerWaalsContact CG2-CD1 3.46Å; T323-L342 HydrophobicContact CG2-CG 4.2Å; T323-K343 PolarHBondContact OG1-N 3.26Å; T323-K343 PolarHBondContact OG1-O 2.98Å; T323-Q346 PolarHBondContact OG1-OE1 3.42Å; T323-Q346 VanDerWaalsContact OG1-OE1 3.05Å; T323-I347 HydrophobicContact CG2-CB 4.07Å; T323-I347 HydrophobicContact CG2-CG2 3.84Å; T323-A356 HydrophobicContact CG2-CB 3.94Å
324N96.4Very high98.1Very high38 Ų3833 Ų3320%0.20315%0.148CC..  trans-100.9119.3-173.8-174.6-50.3000110.9T321 V322 R326 R327 I328 I347T321-N324 WeakPolarHBondContact O-CB 3.43Å; T321-N324 PolarHBondContact O-N 2.92Å; V322-N324 HydrophobicContact CG2-CB 3.82Å; V322-N324 PolarHBondContact O-N 2.82Å; N324-R326 PolarHBondContact O-N 2.9Å; N324-R326 VanDerWaalsContact O-N 3.08Å; N324-R326 WeakPolarHBondContact OD1-CB 3.47Å; N324-R326 PolarHBondContact OD1-N 2.77Å; N324-R327 PolarHBondContact O-N 3.32Å; N324-I328 WeakPolarHBondContact O-CG1 3.24Å; N324-I328 PolarHBondContact O-N 3.43Å; N324-I347 HydrophobicContact CB-CD1 4.22Å
325P94.9Very high98.1Very high44 Ų4440.5 Ų40.529%0.28618%0.181SC..Hα-helixtrans-53.1-34.1-178.7-30.136.4000115.1Q329 L359P325-Q329 VanDerWaalsContact O-CB 3.28Å; P325-Q329 WeakPolarHBondContact O-CB 3.5Å; P325-Q329 PolarHBondContact O-N 3.23Å; P325-L359 HydrophobicContact CB-CD2 4.06Å
326R96.2Very high98.1Very high181 Ų18140.5 Ų40.568%0.68318%0.181SC*.Hα-helixtrans-67.2-42.1178.4-63.7-176.1-175.5162.14.6111.7D101 N324 R330D101-R326 IonicContact OD2-CZ 3.35Å; D101-R326 IonicContact OD2-NH1 2.81Å; D101-R326 PolarHBondContact OD2-NH1 3.1Å; D101-R326 IonicContact OD2-NH2 2.78Å; N324-R326 PolarHBondContact O-N 2.9Å; N324-R326 VanDerWaalsContact O-N 3.08Å; N324-R326 WeakPolarHBondContact OD1-CB 3.47Å; N324-R326 PolarHBondContact OD1-N 2.77Å; R326-R330 PolarHBondContact O-N 3.07Å
327R98.3Very high98.1Very high29 Ų2940.7 Ų40.711%0.10918%0.182CC..Hα-helixtrans-75.7-36.6178.5-65.2-161.874.299.5-8.6111.8Y44 Q298 D299 W301 L320 N324 Q329 R330 A331Y44-R327 VanDerWaalsContact CD2-CZ 3.45Å; Y44-R327 VanDerWaalsContact CD2-NH1 3.3Å; Y44-R327 VanDerWaalsContact CE2-CZ 3.44Å; Q298-R327 PolarHBondContact O-NH2 3.4Å; D299-R327 IonicContact OD1-CZ 3.22Å; D299-R327 IonicContact OD1-NH1 3.42Å; D299-R327 IonicContact OD1-NH2 2.78Å; D299-R327 PolarHBondContact OD1-NH2 2.96Å; W301-R327 VanDerWaalsContact CZ2-NH2 3.28Å; L320-R327 WeakPolarHBondContact O-CD 3.47Å; L320-R327 PolarHBondContact O-NE 2.61Å; N324-R327 PolarHBondContact O-N 3.32Å; R327-Q329 VanDerWaalsContact C-N 3.34Å; R327-Q329 PolarHBondContact O-N 2.83Å; R327-R330 PolarHBondContact O-N 3.35Å; R327-A331 WeakPolarHBondContact O-CB 3.48Å; R327-A331 PolarHBondContact O-N 3.33Å
328I98.8Very high98.1Very high0 Ų042.3 Ų42.30%019%0.191CC..Hα-helixtrans-58-48.4171.7-65164.8000110T321 N324 R330 A331 V332 L340 A356 L359 W365T321-I328 HydrophobicContact CG2-CG1 4.32Å; N324-I328 WeakPolarHBondContact O-CG1 3.24Å; N324-I328 PolarHBondContact O-N 3.43Å; I328-R330 VanDerWaalsContact C-N 3.33Å; I328-R330 PolarHBondContact O-N 3.01Å; I328-A331 PolarHBondContact O-N 3.35Å; I328-A331 VanDerWaalsContact O-N 3.11Å; I328-V332 HydrophobicContact CG2-CG2 4.41Å; I328-V332 WeakPolarHBondContact O-CG2 3.49Å; I328-V332 PolarHBondContact O-N 3.46Å; I328-L340 HydrophobicContact CD1-CD1 3.9Å; I328-L340 HydrophobicContact CD1-CD2 3.78Å; I328-L340 HydrophobicContact CD1-CG 4.48Å; I328-L340 HydrophobicContact CG1-CD1 4.09Å; I328-A356 HydrophobicContact CD1-CB 3.65Å; I328-L359 HydrophobicContact CB-CD2 3.93Å; I328-L359 HydrophobicContact CG2-CD2 3.66Å; I328-L359 HydrophobicContact CG2-CG 3.87Å; I328-W365 HydrophobicContact CG2-CZ3 4.41Å
329Q98.4Very high98.1Very high74 Ų7442.2 Ų42.235%0.34619%0.19SC..Hα-helixtrans-57.6-45.9178.3-1776044.800111.9P325 R327 A331 V332 E333P325-Q329 VanDerWaalsContact O-CB 3.28Å; P325-Q329 WeakPolarHBondContact O-CB 3.5Å; P325-Q329 PolarHBondContact O-N 3.23Å; R327-Q329 VanDerWaalsContact C-N 3.34Å; R327-Q329 PolarHBondContact O-N 2.83Å; Q329-A331 PolarHBondContact O-N 3.08Å; Q329-V332 WeakPolarHBondContact O-CB 3.26Å; Q329-V332 PolarHBondContact O-N 3.38Å; Q329-E333 WeakPolarHBondContact CG-OE1 3.32Å; Q329-E333 PolarHBondContact NE2-OE1 3.43Å; Q329-E333 WeakPolarHBondContact O-CG 3.34Å; Q329-E333 PolarHBondContact O-N 3.26Å
330R98.6Very high98.2Very high95 Ų9542.1 Ų42.136%0.35819%0.19SC..Hα-helixtrans-60.3-44.9174.6-178.8176179-163.4-8.9112.1W301 R326 R327 I328 V332 E333 E334W301-R330 VanDerWaalsContact CD1-CZ 3.46Å; W301-R330 HydrophobicContact CE3-CG 4.42Å; W301-R330 VanDerWaalsContact CG-NH2 3.26Å; W301-R330 HydrophobicContact CH2-CB 4.14Å; W301-R330 HydrophobicContact CH2-CG 3.88Å; W301-R330 HydrophobicContact CZ2-CG 4.13Å; W301-R330 HydrophobicContact CZ3-CG 4.07Å; W301-R330 VanDerWaalsContact NE1-CZ 3.26Å; R326-R330 PolarHBondContact O-N 3.07Å; R327-R330 PolarHBondContact O-N 3.35Å; I328-R330 VanDerWaalsContact C-N 3.33Å; I328-R330 PolarHBondContact O-N 3.01Å; R330-V332 VanDerWaalsContact C-N 3.3Å; R330-V332 PolarHBondContact O-N 2.95Å; R330-E333 PolarHBondContact O-N 2.78Å; R330-E333 VanDerWaalsContact O-N 3.16Å; R330-E334 HydrophobicContact CG-CG 4.38Å; R330-E334 WeakPolarHBondContact CG-OE1 3.27Å; R330-E334 IonicContact CZ-OE1 3.55Å; R330-E334 VanDerWaalsContact CZ-OE1 3.32Å; R330-E334 IonicContact NE-OE1 2.77Å; R330-E334 PolarHBondContact NE-OE1 2.78Å; R330-E334 IonicContact NH2-OE1 3.46Å; R330-E334 PolarHBondContact NH2-OE1 3.23Å; R330-E334 WeakPolarHBondContact O-CG 3.43Å; R330-E334 PolarHBondContact O-N 3.4Å
331A98.8Very high98.2Very high0 Ų042.1 Ų42.10%019%0.19CC..Hα-helixtrans-66.6-32.1-179.200000113W301 L320 T321 R327 I328 Q329 K335 A336 W365W301-A331 HydrophobicContact CH2-CB 3.91Å; W301-A331 HydrophobicContact CZ3-CB 3.58Å; L320-A331 HydrophobicContact CD2-CB 4.25Å; T321-A331 HydrophobicContact CG2-CB 4.21Å; R327-A331 WeakPolarHBondContact O-CB 3.48Å; R327-A331 PolarHBondContact O-N 3.33Å; I328-A331 PolarHBondContact O-N 3.35Å; I328-A331 VanDerWaalsContact O-N 3.11Å; Q329-A331 PolarHBondContact O-N 3.08Å; A331-K335 CarbonylContact O-C 3.6Å; A331-K335 WeakPolarHBondContact O-CA 3.43Å; A331-K335 PolarHBondContact O-N 2.84Å; A331-A336 HydrophobicContact CB-CB 4.14Å; A331-A336 PolarHBondContact O-N 3.27Å; A331-W365 HydrophobicContact CB-CH2 3.56Å; A331-W365 HydrophobicContact CB-CZ2 4.36Å; A331-W365 HydrophobicContact CB-CZ3 4.46Å
332V98.6Very high98.2Very high26 Ų2642.2 Ų42.216%0.15819%0.19CC..Hα-helixtrans-63.7-49.6168.5166.80000110.9I328 Q329 R330 E334 K335 N363 W365I328-V332 HydrophobicContact CG2-CG2 4.41Å; I328-V332 WeakPolarHBondContact O-CG2 3.49Å; I328-V332 PolarHBondContact O-N 3.46Å; Q329-V332 WeakPolarHBondContact O-CB 3.26Å; Q329-V332 PolarHBondContact O-N 3.38Å; R330-V332 VanDerWaalsContact C-N 3.3Å; R330-V332 PolarHBondContact O-N 2.95Å; V332-E334 PolarHBondContact O-N 2.92Å; V332-K335 PolarHBondContact O-N 2.96Å; V332-K335 VanDerWaalsContact O-N 3.17Å; V332-N363 HydrophobicContact CG1-CB 3.98Å; V332-N363 WeakPolarHBondContact CG1-OD1 3.41Å; V332-N363 HydrophobicContact CG2-CB 3.81Å; V332-W365 HydrophobicContact CB-CZ2 4.27Å; V332-W365 HydrophobicContact CG2-CD2 4.34Å; V332-W365 HydrophobicContact CG2-CH2 4.03Å; V332-W365 HydrophobicContact CG2-CZ2 3.59Å
333E98.6Very high98.3Very high133 Ų13342.7 Ų42.762%0.62119%0.192SC*.Hα-helixtrans-62-42.1-178.7-73.5167.2-168.100112.4Q329 R330 K335Q329-E333 WeakPolarHBondContact CG-OE1 3.32Å; Q329-E333 PolarHBondContact NE2-OE1 3.43Å; Q329-E333 WeakPolarHBondContact O-CG 3.34Å; Q329-E333 PolarHBondContact O-N 3.26Å; R330-E333 PolarHBondContact O-N 2.78Å; R330-E333 VanDerWaalsContact O-N 3.16Å; E333-K335 VanDerWaalsContact C-N 3.3Å
334E98.6Very high98.3Very high68 Ų6843 Ų4332%0.31819%0.194SC..Hα-helixtrans-81.6-8.8178.6-63.4-164.2-146.800113W301 S305 R330 V332 A336W301-E334 VanDerWaalsContact CB-OE2 3.32Å; W301-E334 WeakPolarHBondContact CB-OE2 3.33Å; S305-E334 WeakPolarHBondContact CB-O 3.31Å; S305-E334 PolarHBondContact OG-O 2.93Å; S305-E334 VanDerWaalsContact OG-O 3.09Å; R330-E334 HydrophobicContact CG-CG 4.38Å; R330-E334 WeakPolarHBondContact CG-OE1 3.27Å; R330-E334 IonicContact CZ-OE1 3.55Å; R330-E334 VanDerWaalsContact CZ-OE1 3.32Å; R330-E334 IonicContact NE-OE1 2.77Å; R330-E334 PolarHBondContact NE-OE1 2.78Å; R330-E334 IonicContact NH2-OE1 3.46Å; R330-E334 PolarHBondContact NH2-OE1 3.23Å; R330-E334 WeakPolarHBondContact O-CG 3.43Å; R330-E334 PolarHBondContact O-N 3.4Å; V332-E334 PolarHBondContact O-N 2.92Å; E334-A336 HydrophobicContact CB-CB 4.45Å; E334-A336 PolarHBondContact O-N 3.32Å
335K98.7Very high98.4Very high158 Ų15841.8 Ų41.869%0.68719%0.188SC*.THydrogen-bonded Turntrans53.739.3-171.7-54.2-179.6-179.3-1790111.9T308 A331 V332 E333T308-K335 WeakPolarHBondContact CG2-O 3.34Å; A331-K335 CarbonylContact O-C 3.6Å; A331-K335 WeakPolarHBondContact O-CA 3.43Å; A331-K335 PolarHBondContact O-N 2.84Å; V332-K335 PolarHBondContact O-N 2.96Å; V332-K335 VanDerWaalsContact O-N 3.17Å; E333-K335 VanDerWaalsContact C-N 3.3Å
336A98.8Very high98.5Very high0 Ų039.8 Ų39.80%017%0.174CC..  trans-69.9-35.7-173.400000112.1W301 W304 T308 L320 A331 E334W301-A336 HydrophobicContact CE3-CB 3.84Å; W301-A336 HydrophobicContact CZ3-CB 3.84Å; W304-A336 CarbonylContact C-O 3.56Å; W304-A336 HydrophobicContact CB-CB 3.9Å; T308-A336 WeakPolarHBondContact CB-O 3.42Å; T308-A336 PolarHBondContact OG1-O 3.05Å; L320-A336 HydrophobicContact CD2-CB 4.01Å; A331-A336 HydrophobicContact CB-CB 4.14Å; A331-A336 PolarHBondContact O-N 3.27Å; E334-A336 HydrophobicContact CB-CB 4.45Å; E334-A336 PolarHBondContact O-N 3.32Å
337C98.9Very high98.6Very high3 Ų331.6 Ų31.62%0.0214%0.144CC..  trans-147.2-179175.5660000110.6W304 V315 L320 W365W304-C337 HydrophobicContact CE3-CB 4Å; W304-C337 HydrophobicContact CZ3-CB 3.81Å; V315-C337 HydrophobicContact CB-CB 4.34Å; V315-C337 HydrophobicContact CG1-CB 3.99Å; V315-C337 WeakPolarHBondContact O-CB 3.45Å; L320-C337 HydrophobicContact CD2-CB 4.49Å; C337-W365 VanDerWaalsContact O-CE2 3.23Å; C337-W365 WeakPolarHBondContact O-CZ2 3.31Å; C337-W365 PolarHBondContact O-NE1 2.79Å; C337-W365 WeakPolarHBondContact SG-CH2 3.48Å; C337-W365 WeakPolarHBondContact SG-CZ3 3.34Å
338N98.9Very high98.6Very high35 Ų3530.2 Ų30.219%0.18714%0.139CC..SBendtrans-137.514.5-179.266.123.6000113.3I313 Q314 V315 W365 G366 R429I313-N338 PolarHBondContact O-ND2 3.48Å; I313-N338 VanDerWaalsContact O-ND2 3.12Å; Q314-N338 WeakPolarHBondContact CA-OD1 3.32Å; V315-N338 PolarHBondContact N-OD1 3Å; V315-N338 PolarHBondContact O-N 3.48Å; V315-N338 PolarHBondContact O-OD1 3.07Å; N338-W365 WeakPolarHBondContact O-CA 3.37Å; N338-W365 WeakPolarHBondContact O-CB 3.18Å; N338-G366 PolarHBondContact O-N 2.69Å; N338-G366 VanDerWaalsContact O-N 3.1Å; N338-R429 PolarHBondContact ND2-NH2 2.75Å
339C98.9Very high98.6Very high0 Ų030.2 Ų30.20%014%0.139CC..EExtended strand (participates in β ladder)trans-149.1140.5172.1179.20000110.1Q314 V315 V316 G317 G366Q314-C339 VanDerWaalsContact CD-SG 3.57Å; Q314-C339 HydrophobicContact CG-CB 3.45Å; Q314-C339 VanDerWaalsContact CG-CB 3.45Å; V315-C339 PolarHBondContact O-N 2.89Å; V316-C339 CarbonylContact C-O 3.22Å; V316-C339 WeakPolarHBondContact CA-O 3.33Å; V316-C339 HydrophobicContact CB-CB 4.33Å; V316-C339 HydrophobicContact CG1-CB 4.37Å; V316-C339 HydrophobicContact CG2-CB 3.96Å; G317-C339 PolarHBondContact N-O 2.82Å; C339-G366 CarbonylContact C-O 3.01Å; C339-G366 WeakPolarHBondContact CA-O 3.37Å; C339-G366 VanDerWaalsContact SG-C 3.54Å; C339-G366 PolarHBondContact SG-O 3.15Å; C339-G366 VanDerWaalsContact SG-O 3.33Å
340L98.9Very high98.6Very high0 Ų026.7 Ų26.70%012%0.122CC..EExtended strand (participates in β ladder)trans-94.1131171.9169.163.4000109.7T321 I328 L342 A356 A360 W365 G366 V367 M368T321-L340 WeakPolarHBondContact OG1-CD1 3.23Å; I328-L340 HydrophobicContact CD1-CD1 3.9Å; I328-L340 HydrophobicContact CD1-CD2 3.78Å; I328-L340 HydrophobicContact CD1-CG 4.48Å; I328-L340 HydrophobicContact CG1-CD1 4.09Å; L340-L342 HydrophobicContact CD2-CD1 3.69Å; L340-L342 HydrophobicContact CG-CD1 4.41Å; L340-A356 HydrophobicContact CD2-CB 4.24Å; L340-A360 HydrophobicContact CB-CB 3.88Å; L340-A360 HydrophobicContact CD2-CB 3.95Å; L340-W365 HydrophobicContact CB-CE3 4.44Å; L340-G366 PolarHBondContact N-O 2.83Å; L340-V367 HydrophobicContact CB-CG2 4.32Å; L340-V367 HydrophobicContact CD2-CG1 4.41Å; L340-V367 CarbonylContact O-C 3.57Å; L340-V367 WeakPolarHBondContact O-CA 3.27Å; L340-M368 PolarHBondContact O-N 2.81Å
341L98.9Very high98.6Very high0 Ų022.6 Ų22.60%011%0.108CC..EExtended strand (participates in β ladder)trans-82.5117.6158.5-160.880.8000109.5E293 V316 G317 D318 T323 K343 M368 K394E293-L341 WeakPolarHBondContact OE1-CD2 3.43Å; E293-L341 WeakPolarHBondContact OE2-CD1 3.38Å; V316-L341 HydrophobicContact CG1-CB 3.75Å; V316-L341 HydrophobicContact CG1-CD1 4.14Å; G317-L341 PolarHBondContact O-N 2.71Å; D318-L341 HydrophobicContact CB-CB 3.83Å; D318-L341 HydrophobicContact CB-CD2 3.64Å; D318-L341 HydrophobicContact CB-CG 4.37Å; D318-L341 WeakPolarHBondContact OD1-CD2 3.49Å; T323-L341 PolarHBondContact OG1-O 3.37Å; L341-K343 HydrophobicContact CD2-CD 3.92Å; L341-K343 HydrophobicContact CD2-CG 4.15Å; L341-M368 WeakPolarHBondContact CA-O 3.36Å; L341-M368 HydrophobicContact CD1-CB 3.97Å; L341-M368 HydrophobicContact CD1-CG 3.95Å; L341-M368 HydrophobicContact CD1-SD 3.92Å; L341-K394 HydrophobicContact CD1-CD 3.84Å; L341-K394 HydrophobicContact CD1-CG 4.15Å
342L98.9Very high98.6Very high1 Ų124.4 Ų24.41%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-98.2103.3-176.5-166.382.9000110.6T323 L340 A353 A356 C357 V367 M368 V369 S370 L384 L388T323-L342 HydrophobicContact CG2-CD1 3.46Å; T323-L342 VanDerWaalsContact CG2-CD1 3.46Å; T323-L342 HydrophobicContact CG2-CG 4.2Å; L340-L342 HydrophobicContact CD2-CD1 3.69Å; L340-L342 HydrophobicContact CG-CD1 4.41Å; L342-A353 WeakPolarHBondContact CD1-O 3.4Å; L342-A356 HydrophobicContact CD1-CB 4.08Å; L342-C357 HydrophobicContact CD1-CB 4.19Å; L342-C357 HydrophobicContact CD2-CB 4.1Å; L342-V367 HydrophobicContact CB-CG1 3.73Å; L342-V367 HydrophobicContact CD2-CG1 4.4Å; L342-V367 HydrophobicContact CG-CG1 4.46Å; L342-M368 PolarHBondContact N-O 3.37Å; L342-V369 HydrophobicContact CD2-CG2 4.18Å; L342-S370 PolarHBondContact O-N 2.99Å; L342-L384 HydrophobicContact CD2-CD2 4.31Å; L342-L388 HydrophobicContact CD2-CD1 3.46Å; L342-L388 VanDerWaalsContact CD2-CD1 3.46Å
343K98.8Very high98.6Very high11 Ų1123.2 Ų23.25%0.04811%0.109CC..  trans-112.9107.2172.9-72.1167.8168.2163.70109.2D318 T323 L341 N345 Q346D318-K343 WeakPolarHBondContact OD1-CD 3.44Å; D318-K343 IonicContact OD1-NZ 3.24Å; D318-K343 PolarHBondContact OD1-NZ 2.72Å; D318-K343 IonicContact OD2-NZ 2.72Å; D318-K343 PolarHBondContact OD2-NZ 2.78Å; T323-K343 PolarHBondContact OG1-N 3.26Å; T323-K343 PolarHBondContact OG1-O 2.98Å; L341-K343 HydrophobicContact CD2-CD 3.92Å; L341-K343 HydrophobicContact CD2-CG 4.15Å; K343-N345 PolarHBondContact O-N 3.37Å; K343-Q346 HydrophobicContact CB-CB 4.26Å; K343-Q346 HydrophobicContact CB-CG 3.59Å; K343-Q346 HydrophobicContact CD-CG 4Å; K343-Q346 HydrophobicContact CG-CG 4.45Å; K343-Q346 WeakPolarHBondContact O-CB 3.47Å; K343-Q346 PolarHBondContact O-N 3.06Å
344V98.3Very high98.6Very high6 Ų617.3 Ų17.34%0.0368%0.082CC..Hα-helixtrans-55.1-31.5-175.9-67.50000113.8L112 G348 A353 L384L112-V344 HydrophobicContact CD1-CB 4.07Å; L112-V344 HydrophobicContact CD1-CG2 4.29Å; L112-V344 HydrophobicContact CD2-CG2 4.18Å; V344-G348 PolarHBondContact O-N 3.45Å; V344-A353 HydrophobicContact CB-CB 4.42Å; V344-A353 HydrophobicContact CG1-CB 3.82Å; V344-L384 HydrophobicContact CG1-CD2 3.48Å; V344-L384 VanDerWaalsContact CG1-CD2 3.48Å
345N97.9Very high98.6Very high14 Ų1418.3 Ų18.38%0.0759%0.085CC..Hα-helixtrans-80.3-16.7-179.579.2-43.5000114P36 L112 K343 I347 R372P36-N345 HydrophobicContact CG-CB 4.29Å; P36-N345 PolarHBondContact O-ND2 2.95Å; P36-N345 VanDerWaalsContact O-ND2 3.12Å; L112-N345 VanDerWaalsContact CD2-CA 3.49Å; L112-N345 HydrophobicContact CD2-CB 3.41Å; L112-N345 VanDerWaalsContact CD2-CB 3.41Å; K343-N345 PolarHBondContact O-N 3.37Å; N345-I347 VanDerWaalsContact C-N 3.27Å; N345-R372 PolarHBondContact ND2-NH1 3.29Å; N345-R372 VanDerWaalsContact OD1-CD 3.25Å; N345-R372 WeakPolarHBondContact OD1-CD 3.42Å; N345-R372 WeakPolarHBondContact OD1-CG 3.29Å; N345-R372 PolarHBondContact OD1-NH1 2.9Å
346Q97.8Very high98.6Very high1 Ų110.8 Ų10.81%0.0055%0.052CC..Hα-helixtrans-69.5-28.3173.1-67.7-173.9-40.700111.9E45 A46 D318 V322 T323 K343E45-Q346 VanDerWaalsContact CD-CG 3.47Å; E45-Q346 HydrophobicContact CG-CB 4.11Å; E45-Q346 HydrophobicContact CG-CG 3.76Å; E45-Q346 PolarHBondContact OE1-NE2 2.86Å; A46-Q346 WeakPolarHBondContact CB-O 3.42Å; A46-Q346 PolarHBondContact N-O 3.04Å; D318-Q346 PolarHBondContact OD1-NE2 2.91Å; V322-Q346 VanDerWaalsContact C-OE1 3.25Å; V322-Q346 VanDerWaalsContact CA-OE1 3.31Å; V322-Q346 HydrophobicContact CB-CB 4.43Å; V322-Q346 WeakPolarHBondContact O-CB 3.49Å; T323-Q346 PolarHBondContact OG1-OE1 3.42Å; T323-Q346 VanDerWaalsContact OG1-OE1 3.05Å; K343-Q346 HydrophobicContact CB-CB 4.26Å; K343-Q346 HydrophobicContact CB-CG 3.59Å; K343-Q346 HydrophobicContact CD-CG 4Å; K343-Q346 HydrophobicContact CG-CG 4.45Å; K343-Q346 WeakPolarHBondContact O-CB 3.47Å; K343-Q346 PolarHBondContact O-N 3.06Å
347I98.2Very high98.6Very high9 Ų910.8 Ų10.85%0.0465%0.052CC..Hα-helixtrans-104.9-31177-159.356.8000113K103 T323 N324 N345 E352 A353K103-I347 WeakPolarHBondContact CD-O 3.48Å; K103-I347 WeakPolarHBondContact CE-O 3.26Å; K103-I347 PolarHBondContact NZ-O 2.83Å; T323-I347 HydrophobicContact CG2-CB 4.07Å; T323-I347 HydrophobicContact CG2-CG2 3.84Å; N324-I347 HydrophobicContact CB-CD1 4.22Å; N345-I347 VanDerWaalsContact C-N 3.27Å; I347-E352 HydrophobicContact CB-CB 4.4Å; I347-E352 HydrophobicContact CG1-CB 3.52Å; I347-E352 HydrophobicContact CG1-CG 4.31Å; I347-E352 HydrophobicContact CG2-CB 3.96Å; I347-A353 HydrophobicContact CG2-CB 4.07Å
348G97.9Very high98.6Very high0 Ų014.5 Ų14.50%07%0.068CC..  trans93.96166.700000116.8I111 L112 V344I111-G348 WeakPolarHBondContact CG2-O 3.48Å; L112-G348 WeakPolarHBondContact CA-O 3.34Å; L112-G348 PolarHBondContact N-O 2.82Å; V344-G348 PolarHBondContact O-N 3.45Å
349S98.9Very high98.6Very high0 Ų014.3 Ų14.30%07%0.067CC..SBendtrans-148.5154.1168.974.60000112E352 A353S349-E352 WeakPolarHBondContact CB-OE2 3.38Å; S349-E352 WeakPolarHBondContact OG-CB 3.31Å; S349-E352 VanDerWaalsContact OG-CG 3.3Å; S349-E352 WeakPolarHBondContact OG-CG 3.33Å; S349-E352 PolarHBondContact OG-N 3.03Å; S349-E352 VanDerWaalsContact OG-N 3.14Å; S349-E352 PolarHBondContact OG-OE2 2.99Å; S349-A353 WeakPolarHBondContact O-CB 3.17Å; S349-A353 PolarHBondContact O-N 3.44Å; S349-A353 VanDerWaalsContact O-N 3.15Å
350V98.9Very high98.6Very high1 Ų114.3 Ų14.31%0.0067%0.067CC..Hα-helixtrans-63.1-44.2175.7174.40000110.3Q87 S115 L116 C119 E352 A353 I354 F380Q87-V350 HydrophobicContact CG-CB 4.5Å; Q87-V350 HydrophobicContact CG-CG1 4.42Å; S115-V350 WeakPolarHBondContact OG-CG2 3.42Å; S115-V350 PolarHBondContact OG-N 2.98Å; L116-V350 HydrophobicContact CD2-CG2 3.67Å; L116-V350 HydrophobicContact CG-CG2 4.38Å; C119-V350 HydrophobicContact CB-CG2 4.4Å; V350-E352 PolarHBondContact O-N 3.08Å; V350-A353 PolarHBondContact O-N 2.96Å; V350-I354 HydrophobicContact CG1-CD1 3.8Å; V350-I354 HydrophobicContact CG1-CG1 4.27Å; V350-I354 WeakPolarHBondContact O-CG1 3.48Å; V350-I354 PolarHBondContact O-N 3.47Å; V350-F380 HydrophobicContact CG1-CZ 4.27Å; V350-F380 HydrophobicContact CG2-CE1 4.24Å; V350-F380 HydrophobicContact CG2-CE2 4.48Å; V350-F380 HydrophobicContact CG2-CZ 3.71Å
351T98.9Very high98.6Very high9 Ų917.3 Ų17.36%0.0558%0.081CC..Hα-helixtrans-59.1-47.1-179.8-650000112.5E88 D91 A353 I354 K355E88-T351 WeakPolarHBondContact CA-OG1 3.26Å; E88-T351 HydrophobicContact CB-CG2 4.02Å; E88-T351 HydrophobicContact CG-CG2 3.96Å; D91-T351 WeakPolarHBondContact OD2-CB 3.37Å; D91-T351 PolarHBondContact OD2-N 3Å; D91-T351 PolarHBondContact OD2-OG1 2.88Å; T351-A353 VanDerWaalsContact C-N 3.34Å; T351-I354 PolarHBondContact O-N 2.83Å; T351-K355 HydrophobicContact CG2-CD 4.18Å; T351-K355 WeakPolarHBondContact O-CG 3.34Å; T351-K355 PolarHBondContact O-N 2.82Å
352E98.8Very high98.6Very high38 Ų3824 Ų2418%0.17811%0.112CC..Hα-helixtrans-68.3-34.7179.1-68.7164.5107.600111.8I95 K103 I347 S349 V350 K355 A356I95-E352 HydrophobicContact CD1-CG 4.15Å; I95-E352 VanDerWaalsContact CD1-OE2 3.26Å; I95-E352 WeakPolarHBondContact CD1-OE2 3.48Å; K103-E352 WeakPolarHBondContact CE-OE2 3.35Å; K103-E352 IonicContact NZ-OE1 2.54Å; K103-E352 PolarHBondContact NZ-OE1 2.81Å; K103-E352 IonicContact NZ-OE2 2.95Å; K103-E352 PolarHBondContact NZ-OE2 3.3Å; I347-E352 HydrophobicContact CB-CB 4.4Å; I347-E352 HydrophobicContact CG1-CB 3.52Å; I347-E352 HydrophobicContact CG1-CG 4.31Å; I347-E352 HydrophobicContact CG2-CB 3.96Å; S349-E352 WeakPolarHBondContact CB-OE2 3.38Å; S349-E352 WeakPolarHBondContact OG-CB 3.31Å; S349-E352 VanDerWaalsContact OG-CG 3.3Å; S349-E352 WeakPolarHBondContact OG-CG 3.33Å; S349-E352 PolarHBondContact OG-N 3.03Å; S349-E352 VanDerWaalsContact OG-N 3.14Å; S349-E352 PolarHBondContact OG-OE2 2.99Å; V350-E352 PolarHBondContact O-N 3.08Å; E352-K355 PolarHBondContact O-N 3.31Å; E352-A356 WeakPolarHBondContact O-CB 3.37Å; E352-A356 PolarHBondContact O-N 2.98Å
353A98.8Very high98.5Very high0 Ų027.2 Ų27.20%013%0.129CC..Hα-helixtrans-65.4-41.6174.500000112.4L342 V344 I347 S349 V350 T351 K355 A356 C357L342-A353 WeakPolarHBondContact CD1-O 3.4Å; V344-A353 HydrophobicContact CB-CB 4.42Å; V344-A353 HydrophobicContact CG1-CB 3.82Å; I347-A353 HydrophobicContact CG2-CB 4.07Å; S349-A353 WeakPolarHBondContact O-CB 3.17Å; S349-A353 PolarHBondContact O-N 3.44Å; S349-A353 VanDerWaalsContact O-N 3.15Å; V350-A353 PolarHBondContact O-N 2.96Å; T351-A353 VanDerWaalsContact C-N 3.34Å; A353-K355 VanDerWaalsContact C-N 3.35Å; A353-A356 PolarHBondContact O-N 2.83Å; A353-C357 WeakPolarHBondContact O-CB 3.47Å; A353-C357 PolarHBondContact O-N 3.19Å
354I98.9Very high98.5Very high9 Ų930 Ų305%0.04616%0.162CC..Hα-helixtrans-61.4-45.3173.1-65173.1000109.8L137 A138 V350 T351 A356 C357 K358 L388L137-I354 HydrophobicContact CB-CD1 3.77Å; L137-I354 HydrophobicContact CD1-CD1 4.32Å; A138-I354 HydrophobicContact CB-CG2 4.04Å; V350-I354 HydrophobicContact CG1-CD1 3.8Å; V350-I354 HydrophobicContact CG1-CG1 4.27Å; V350-I354 WeakPolarHBondContact O-CG1 3.48Å; V350-I354 PolarHBondContact O-N 3.47Å; T351-I354 PolarHBondContact O-N 2.83Å; I354-A356 PolarHBondContact O-N 3.07Å; I354-C357 PolarHBondContact O-N 3.29Å; I354-K358 HydrophobicContact CG2-CD 4.23Å; I354-K358 HydrophobicContact CG2-CG 4.46Å; I354-K358 WeakPolarHBondContact O-CG 3.44Å; I354-K358 PolarHBondContact O-N 2.67Å; I354-L388 HydrophobicContact CG1-CD2 4.1Å; I354-L388 HydrophobicContact CG2-CD2 4.36Å
355K98.7Very high98.5Very high90 Ų9031 Ų3139%0.39116%0.164SC..Hα-helixtrans-61.1-42.1177.4-73.3173.8-179.41760112.2E88 T351 E352 A353 K358 L359E88-K355 WeakPolarHBondContact OE1-CE 3.46Å; E88-K355 IonicContact OE1-NZ 3.65Å; E88-K355 PolarHBondContact OE1-NZ 2.89Å; T351-K355 HydrophobicContact CG2-CD 4.18Å; T351-K355 WeakPolarHBondContact O-CG 3.34Å; T351-K355 PolarHBondContact O-N 2.82Å; E352-K355 PolarHBondContact O-N 3.31Å; A353-K355 VanDerWaalsContact C-N 3.35Å; K355-K358 PolarHBondContact O-N 2.85Å; K355-L359 WeakPolarHBondContact O-CB 3.27Å; K355-L359 PolarHBondContact O-N 2.62Å
356A98.8Very high98.6Very high0 Ų030.6 Ų30.60%016%0.164CC..Hα-helixtrans-63.1-44.1175.700000112T323 I328 L340 L342 E352 A353 I354 L359 A360T323-A356 HydrophobicContact CG2-CB 3.94Å; I328-A356 HydrophobicContact CD1-CB 3.65Å; L340-A356 HydrophobicContact CD2-CB 4.24Å; L342-A356 HydrophobicContact CD1-CB 4.08Å; E352-A356 WeakPolarHBondContact O-CB 3.37Å; E352-A356 PolarHBondContact O-N 2.98Å; A353-A356 PolarHBondContact O-N 2.83Å; I354-A356 PolarHBondContact O-N 3.07Å; A356-L359 PolarHBondContact O-N 3.26Å; A356-A360 PolarHBondContact O-N 3.11Å
357C98.8Very high98.6Very high0 Ų030.6 Ų30.60%016%0.164CC..Hα-helixtrans-59.5-48.7175177.90000111.7L342 A353 I354 L359 A360 Q361 V367 L388L342-C357 HydrophobicContact CD1-CB 4.19Å; L342-C357 HydrophobicContact CD2-CB 4.1Å; A353-C357 WeakPolarHBondContact O-CB 3.47Å; A353-C357 PolarHBondContact O-N 3.19Å; I354-C357 PolarHBondContact O-N 3.29Å; C357-L359 PolarHBondContact O-N 3.07Å; C357-A360 PolarHBondContact O-N 3.11Å; C357-Q361 WeakPolarHBondContact O-CG 3.45Å; C357-Q361 PolarHBondContact O-N 3.34Å; C357-V367 HydrophobicContact CB-CG1 4.44Å; C357-L388 HydrophobicContact CB-CD1 3.99Å; C357-L388 HydrophobicContact CB-CD2 4.46Å
358K98.5Very high98.7Very high80 Ų8030.2 Ų30.235%0.34816%0.162SC..Hα-helixtrans-61.1-45.2177.7-71.7-174.866.61680112.2I354 K355 A360 Q361 E362I354-K358 HydrophobicContact CG2-CD 4.23Å; I354-K358 HydrophobicContact CG2-CG 4.46Å; I354-K358 WeakPolarHBondContact O-CG 3.44Å; I354-K358 PolarHBondContact O-N 2.67Å; K355-K358 PolarHBondContact O-N 2.85Å; K358-A360 VanDerWaalsContact C-N 3.28Å; K358-A360 PolarHBondContact O-N 3.03Å; K358-Q361 PolarHBondContact O-N 2.92Å; K358-E362 VanDerWaalsContact O-CB 3.3Å; K358-E362 WeakPolarHBondContact O-CB 3.32Å; K358-E362 VanDerWaalsContact O-CG 3.23Å; K358-E362 WeakPolarHBondContact O-CG 3.45Å; K358-E362 PolarHBondContact O-N 3.25Å
359L98.7Very high98.7Very high31 Ų3130.2 Ų30.216%0.16216%0.162CC..Hα-helixtrans-56.9-43.1177177.163.1000111.6P325 I328 K355 A356 C357 N363P325-L359 HydrophobicContact CB-CD2 4.06Å; I328-L359 HydrophobicContact CB-CD2 3.93Å; I328-L359 HydrophobicContact CG2-CD2 3.66Å; I328-L359 HydrophobicContact CG2-CG 3.87Å; K355-L359 WeakPolarHBondContact O-CB 3.27Å; K355-L359 PolarHBondContact O-N 2.62Å; A356-L359 PolarHBondContact O-N 3.26Å; C357-L359 PolarHBondContact O-N 3.07Å; L359-N363 PolarHBondContact O-N 2.88Å; L359-N363 PolarHBondContact O-ND2 3.5Å
360A98.8Very high98.7Very high0 Ų030.3 Ų30.30%016%0.163CC..Hα-helixtrans-64.5-50.417600000111.5L340 A356 C357 K358 E362 N363 G364 W365 V367L340-A360 HydrophobicContact CB-CB 3.88Å; L340-A360 HydrophobicContact CD2-CB 3.95Å; A356-A360 PolarHBondContact O-N 3.11Å; C357-A360 PolarHBondContact O-N 3.11Å; K358-A360 VanDerWaalsContact C-N 3.28Å; K358-A360 PolarHBondContact O-N 3.03Å; A360-E362 PolarHBondContact O-N 3.01Å; A360-N363 CarbonylContact O-C 3.45Å; A360-N363 PolarHBondContact O-N 3.02Å; A360-N363 VanDerWaalsContact O-N 3.1Å; A360-G364 PolarHBondContact O-N 2.95Å; A360-W365 HydrophobicContact CB-CB 4.1Å; A360-W365 HydrophobicContact CB-CE3 4.29Å; A360-W365 WeakPolarHBondContact O-CB 3.43Å; A360-W365 PolarHBondContact O-N 3.27Å; A360-V367 HydrophobicContact CB-CG2 3.71Å
361Q98.4Very high98.7Very high64 Ų6430.5 Ų30.530%0.29916%0.163SC..Hα-helixtrans-62.5-40.4-179.2-71.8173.7-35.100112.8C357 K358 N363 G364 V367 L388C357-Q361 WeakPolarHBondContact O-CG 3.45Å; C357-Q361 PolarHBondContact O-N 3.34Å; K358-Q361 PolarHBondContact O-N 2.92Å; Q361-N363 PolarHBondContact O-N 3.1Å; Q361-G364 PolarHBondContact O-N 3.01Å; Q361-V367 HydrophobicContact CG-CG2 3.93Å; Q361-L388 PolarHBondContact NE2-O 3.12Å
362E98.2Very high98.6Very high140 Ų14030.3 Ų30.365%0.65416%0.162SC*.Hα-helixtrans-62.4-26.4176.1-74.3169.3-17100112.3K358 A360 G364K358-E362 VanDerWaalsContact O-CB 3.3Å; K358-E362 WeakPolarHBondContact O-CB 3.32Å; K358-E362 VanDerWaalsContact O-CG 3.23Å; K358-E362 WeakPolarHBondContact O-CG 3.45Å; K358-E362 PolarHBondContact O-N 3.25Å; A360-E362 PolarHBondContact O-N 3.01Å; E362-G364 VanDerWaalsContact C-N 3.34Å
363N98.5Very high98.3Very high69 Ų6928.7 Ų28.737%0.36916%0.155SC..THydrogen-bonded Turntrans-9414.1174-73-76.8000113.4V332 L359 A360 Q361 W365V332-N363 HydrophobicContact CG1-CB 3.98Å; V332-N363 WeakPolarHBondContact CG1-OD1 3.41Å; V332-N363 HydrophobicContact CG2-CB 3.81Å; L359-N363 PolarHBondContact O-N 2.88Å; L359-N363 PolarHBondContact O-ND2 3.5Å; A360-N363 CarbonylContact O-C 3.45Å; A360-N363 PolarHBondContact O-N 3.02Å; A360-N363 VanDerWaalsContact O-N 3.1Å; Q361-N363 PolarHBondContact O-N 3.1Å; N363-W365 VanDerWaalsContact C-N 3.31Å; N363-W365 PolarHBondContact O-N 2.75Å
364G98.1Very high98.2Very high70 Ų7028.7 Ų28.772%0.72216%0.155SC*.THydrogen-bonded Turntrans74.616.5175.700000114.5A360 Q361 E362A360-G364 PolarHBondContact O-N 2.95Å; Q361-G364 PolarHBondContact O-N 3.01Å; E362-G364 VanDerWaalsContact C-N 3.34Å
365W98.7Very high98.2Very high25 Ų2528.6 Ų28.610%0.09515%0.154CC..  trans-85.5151.1176.5-68.913.3000112I328 A331 V332 C337 N338 L340 A360 N363I328-W365 HydrophobicContact CG2-CZ3 4.41Å; A331-W365 HydrophobicContact CB-CH2 3.56Å; A331-W365 HydrophobicContact CB-CZ2 4.36Å; A331-W365 HydrophobicContact CB-CZ3 4.46Å; V332-W365 HydrophobicContact CB-CZ2 4.27Å; V332-W365 HydrophobicContact CG2-CD2 4.34Å; V332-W365 HydrophobicContact CG2-CH2 4.03Å; V332-W365 HydrophobicContact CG2-CZ2 3.59Å; C337-W365 VanDerWaalsContact O-CE2 3.23Å; C337-W365 WeakPolarHBondContact O-CZ2 3.31Å; C337-W365 PolarHBondContact O-NE1 2.79Å; C337-W365 WeakPolarHBondContact SG-CH2 3.48Å; C337-W365 WeakPolarHBondContact SG-CZ3 3.34Å; N338-W365 WeakPolarHBondContact O-CA 3.37Å; N338-W365 WeakPolarHBondContact O-CB 3.18Å; L340-W365 HydrophobicContact CB-CE3 4.44Å; A360-W365 HydrophobicContact CB-CB 4.1Å; A360-W365 HydrophobicContact CB-CE3 4.29Å; A360-W365 WeakPolarHBondContact O-CB 3.43Å; A360-W365 PolarHBondContact O-N 3.27Å; N363-W365 VanDerWaalsContact C-N 3.31Å; N363-W365 PolarHBondContact O-N 2.75Å
366G98.8Very high98.2Very high6 Ų624.5 Ų24.56%0.06214%0.136CC..EExtended strand (participates in β ladder)trans-70.5161161.700000111.1N338 C339 L340 R429N338-G366 PolarHBondContact O-N 2.69Å; N338-G366 VanDerWaalsContact O-N 3.1Å; C339-G366 CarbonylContact C-O 3.01Å; C339-G366 WeakPolarHBondContact CA-O 3.37Å; C339-G366 VanDerWaalsContact SG-C 3.54Å; C339-G366 PolarHBondContact SG-O 3.15Å; C339-G366 VanDerWaalsContact SG-O 3.33Å; L340-G366 PolarHBondContact N-O 2.83Å; G366-R429 WeakPolarHBondContact CA-O 3.16Å
367V98.9Very high98.2Very high1 Ų130.6 Ų30.61%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-131.8123.2171.2-178.50000108.7L340 L342 C357 A360 Q361 T390 Q392L340-V367 HydrophobicContact CB-CG2 4.32Å; L340-V367 HydrophobicContact CD2-CG1 4.41Å; L340-V367 CarbonylContact O-C 3.57Å; L340-V367 WeakPolarHBondContact O-CA 3.27Å; L342-V367 HydrophobicContact CB-CG1 3.73Å; L342-V367 HydrophobicContact CD2-CG1 4.4Å; L342-V367 HydrophobicContact CG-CG1 4.46Å; C357-V367 HydrophobicContact CB-CG1 4.44Å; A360-V367 HydrophobicContact CB-CG2 3.71Å; Q361-V367 HydrophobicContact CG-CG2 3.93Å; V367-T390 HydrophobicContact CB-CG2 4Å; V367-T390 HydrophobicContact CG1-CG2 4.05Å; V367-T390 WeakPolarHBondContact O-CB 3.5Å; V367-T390 PolarHBondContact O-OG1 3.3Å; V367-Q392 VanDerWaalsContact O-CG 3.25Å; V367-Q392 WeakPolarHBondContact O-CG 3.42Å
368M98.9Very high98.2Very high1 Ų131.4 Ų31.41%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-104.2108.7173.6-176.8-177.7-62.200108.9A149 L340 L341 L342 S370 Q392 K394A149-M368 HydrophobicContact CB-CE 4.44Å; A149-M368 HydrophobicContact CB-SD 4.44Å; L340-M368 PolarHBondContact O-N 2.81Å; L341-M368 WeakPolarHBondContact CA-O 3.36Å; L341-M368 HydrophobicContact CD1-CB 3.97Å; L341-M368 HydrophobicContact CD1-CG 3.95Å; L341-M368 HydrophobicContact CD1-SD 3.92Å; L342-M368 PolarHBondContact N-O 3.37Å; M368-S370 PolarHBondContact O-N 3.35Å; M368-Q392 HydrophobicContact CB-CG 4.04Å; M368-Q392 HydrophobicContact CG-CG 4.4Å; M368-K394 HydrophobicContact CG-CB 4.41Å; M368-K394 HydrophobicContact CG-CG 4.45Å; M368-K394 HydrophobicContact SD-CB 3.74Å; M368-K394 HydrophobicContact SD-CD 3.99Å; M368-K394 HydrophobicContact SD-CG 3.93Å
369V98.9Very high98.2Very high0 Ų029.3 Ų29.30%016%0.163CC..EExtended strand (participates in β ladder)trans-66.1136.3172.5175.40000108.4L342 I381 L384 V385 L388 T390 Q392 I393 K394L342-V369 HydrophobicContact CD2-CG2 4.18Å; V369-I381 HydrophobicContact CG1-CB 3.85Å; V369-I381 HydrophobicContact CG1-CG2 4.26Å; V369-L384 HydrophobicContact CG1-CD2 4.12Å; V369-V385 HydrophobicContact CB-CB 3.83Å; V369-V385 HydrophobicContact CB-CG2 4.01Å; V369-V385 HydrophobicContact CG1-CB 4.24Å; V369-V385 HydrophobicContact CG2-CB 3.77Å; V369-V385 HydrophobicContact CG2-CG2 3.9Å; V369-L388 HydrophobicContact CG2-CD1 4.48Å; V369-T390 HydrophobicContact CG2-CG2 3.97Å; V369-Q392 PolarHBondContact N-O 3.27Å; V369-I393 HydrophobicContact CB-CG1 4.47Å; V369-I393 CarbonylContact O-C 3.57Å; V369-I393 VanDerWaalsContact O-CA 3.31Å; V369-I393 WeakPolarHBondContact O-CA 3.44Å; V369-I393 WeakPolarHBondContact O-CG1 3.27Å; V369-K394 PolarHBondContact O-N 3.21Å
370S98.9Very high98.2Very high3 Ų328 Ų282%0.02116%0.156CC..EExtended strand (participates in β ladder)trans-130144.7-172.9-178.30000113L342 M368 K394L342-S370 PolarHBondContact O-N 2.99Å; M368-S370 PolarHBondContact O-N 3.35Å; S370-K394 WeakPolarHBondContact CA-O 3.38Å; S370-K394 WeakPolarHBondContact OG-CE 3.33Å; S370-K394 WeakPolarHBondContact OG-CG 3.37Å
371H98.4Very high98.2Very high4 Ų428.5 Ų28.52%0.01916%0.159CC..  trans-71.3-173160.271173.1000112.3E210 E375 I381 K394 T395 G396 R403E210-H371 IonicContact OE1-CE1 2.7Å; E210-H371 IonicContact OE1-NE2 3.82Å; E210-H371 PolarHBondContact OE1-NE2 3.03Å; E210-H371 IonicContact OE2-CE1 3.95Å; E210-H371 PolarHBondContact OE2-CE1 3.4Å; E210-H371 VanDerWaalsContact OE2-CE1 3.32Å; E210-H371 IonicContact OE2-NE2 3.99Å; E210-H371 PolarHBondContact OE2-NE2 3.04Å; H371-E375 HydrophobicContact CB-CG 3.87Å; H371-I381 HydrophobicContact CB-CD1 3.8Å; H371-K394 PolarHBondContact N-O 3.17Å; H371-T395 VanDerWaalsContact CE1-C 3.46Å; H371-T395 WeakPolarHBondContact ND1-CA 3.42Å; H371-T395 PolarHBondContact ND1-O 3.41Å; H371-G396 VanDerWaalsContact CE1-CA 3.4Å; H371-G396 WeakPolarHBondContact CE1-CA 3.37Å; H371-G396 PolarHBondContact CE1-N 3.31Å; H371-G396 PolarHBondContact ND1-N 2.84Å; H371-R403 PolarHBondContact ND1-NH1 3.23Å; H371-R403 VanDerWaalsContact ND1-NH1 3.11Å
372R97Very high98.2Very high6 Ų625.5 Ų25.52%0.02315%0.145CC..  trans-120.3162.9158.8-53.3-61.7-65.1-101.711.2110.2P36 S37 S40 E45 N345 G374 R403P36-R372 HydrophobicContact CB-CB 4.02Å; P36-R372 HydrophobicContact CB-CG 3.84Å; P36-R372 HydrophobicContact CG-CG 3.97Å; S37-R372 VanDerWaalsContact O-CB 3.25Å; S37-R372 WeakPolarHBondContact O-CB 3.39Å; S40-R372 PolarHBondContact O-NH2 3.45Å; E45-R372 IonicContact OE1-CZ 2.78Å; E45-R372 IonicContact OE1-NH1 3.74Å; E45-R372 IonicContact OE1-NH2 3.69Å; E45-R372 PolarHBondContact OE1-NH2 3.21Å; E45-R372 IonicContact OE2-CZ 2.94Å; E45-R372 IonicContact OE2-NH1 2.98Å; E45-R372 PolarHBondContact OE2-NH1 3.22Å; E45-R372 IonicContact OE2-NH2 3.96Å; E45-R372 PolarHBondContact OE2-NH2 3.48Å; E45-R372 VanDerWaalsContact OE2-NH2 3.11Å; N345-R372 PolarHBondContact ND2-NH1 3.29Å; N345-R372 VanDerWaalsContact OD1-CD 3.25Å; N345-R372 WeakPolarHBondContact OD1-CD 3.42Å; N345-R372 WeakPolarHBondContact OD1-CG 3.29Å; N345-R372 PolarHBondContact OD1-NH1 2.9Å; R372-G374 VanDerWaalsContact C-N 3.31Å; R372-G374 PolarHBondContact O-N 3.15Å; R372-R403 PolarHBondContact O-NH1 3Å
373S92.9Very high98.3Very high4 Ų419.1 Ų19.13%0.02812%0.115CC..SBendtrans-63-33176.750.30000113.5S14 A39 H158 E210 R403S14-S373 PolarHBondContact OG-O 2.82Å; A39-S373 VanDerWaalsContact CB-OG 3.24Å; A39-S373 WeakPolarHBondContact CB-OG 3.34Å; A39-S373 PolarHBondContact N-OG 3.39Å; H158-S373 VanDerWaalsContact NE2-CB 3.34Å; H158-S373 WeakPolarHBondContact NE2-CB 3.26Å; H158-S373 PolarHBondContact NE2-OG 2.83Å; E210-S373 WeakPolarHBondContact OE1-CA 3.48Å; E210-S373 WeakPolarHBondContact OE1-CB 3.5Å; S373-R403 PolarHBondContact O-NH2 2.9Å
374G96.3Very high98.3Very high0 Ų015.9 Ų15.90%010%0.098CC..BIsolated β-bridgetrans-9294.1162.100000111.1P36 S37 R372P36-G374 CarbonylContact C-O 3.4Å; P36-G374 WeakPolarHBondContact CA-O 3.44Å; P36-G374 WeakPolarHBondContact CB-O 3.44Å; S37-G374 PolarHBondContact N-O 3.27Å; S37-G374 CarbonylContact O-C 3.47Å; S37-G374 WeakPolarHBondContact O-CA 3.24Å; S37-G374 PolarHBondContact O-N 2.64Å; R372-G374 VanDerWaalsContact C-N 3.31Å; R372-G374 PolarHBondContact O-N 3.15Å
375E98.4Very high98.3Very high6 Ų612.6 Ų12.63%0.0286%0.064CC..  trans-102.3175.1176.4-108.4-73-166.200111.9D13 S14 H371 E402 K406D13-E375 CarbonylContact C-O 3.6Å; D13-E375 WeakPolarHBondContact CA-O 3.47Å; S14-E375 WeakPolarHBondContact CB-O 3.42Å; S14-E375 PolarHBondContact N-O 3.1Å; S14-E375 PolarHBondContact OG-N 2.72Å; S14-E375 VanDerWaalsContact OG-N 3.08Å; S14-E375 PolarHBondContact OG-O 3.27Å; H371-E375 HydrophobicContact CB-CG 3.87Å; E375-E402 HydrophobicContact CB-CB 3.91Å; E375-E402 HydrophobicContact CB-CG 3.68Å; E375-K406 WeakPolarHBondContact OE1-CE 3.36Å; E375-K406 IonicContact OE1-NZ 3.79Å; E375-K406 PolarHBondContact OE1-NZ 2.79Å; E375-K406 IonicContact OE2-NZ 3.69Å; E375-K406 PolarHBondContact OE2-NZ 3.25Å
376T98.8Very high98.4Very high4 Ų411.4 Ų11.43%0.0256%0.059CC..  trans-125.7-178.1176.968.10000109.2I11 T19 A34 D378 E402 K406I11-T376 HydrophobicContact CD1-CG2 4.41Å; T19-T376 HydrophobicContact CG2-CG2 3.89Å; A34-T376 HydrophobicContact CB-CG2 3.9Å; T376-D378 PolarHBondContact O-N 3.34Å; T376-D378 VanDerWaalsContact OG1-CB 3.27Å; T376-D378 WeakPolarHBondContact OG1-CB 3.49Å; T376-D378 PolarHBondContact OG1-N 3.43Å; T376-D378 VanDerWaalsContact OG1-N 3.16Å; T376-E402 WeakPolarHBondContact O-CB 3.25Å; T376-K406 PolarHBondContact O-NZ 3.45Å
377E98.7Very high98.4Very high128 Ų12811.1 Ų11.160%0.5986%0.056SC*.SBendtrans-72.5-8.1170.363.7-94.1-120.300113.9T379E377-T379 PolarHBondContact O-N 3.39Å
378D98.8Very high98.3Very high18 Ų1811.1 Ų11.110%0.0966%0.056CC..  trans-61.2135-178.8-162.8-51.6000111.1A33 A34 K120 T376 F380 K406A33-D378 WeakPolarHBondContact CA-OD2 3.39Å; A34-D378 HydrophobicContact CB-CB 4.31Å; A34-D378 PolarHBondContact N-OD2 3.4Å; K120-D378 IonicContact NZ-OD1 3.53Å; K120-D378 PolarHBondContact NZ-OD1 2.99Å; K120-D378 IonicContact NZ-OD2 3.02Å; K120-D378 PolarHBondContact NZ-OD2 3.35Å; T376-D378 PolarHBondContact O-N 3.34Å; T376-D378 VanDerWaalsContact OG1-CB 3.27Å; T376-D378 WeakPolarHBondContact OG1-CB 3.49Å; T376-D378 PolarHBondContact OG1-N 3.43Å; T376-D378 VanDerWaalsContact OG1-N 3.16Å; D378-F380 VanDerWaalsContact OD1-CB 3.24Å; D378-F380 WeakPolarHBondContact OD1-CB 3.4Å; D378-F380 PolarHBondContact OD1-N 2.87Å; D378-K406 WeakPolarHBondContact O-CD 3.46Å; D378-K406 WeakPolarHBondContact O-CE 3.21Å; D378-K406 PolarHBondContact O-NZ 3.2Å
379T98.9Very high98.3Very high35 Ų3511.8 Ų11.822%0.2156%0.061CC..  trans-10510.9-176.954.20000114.1E377 I381 A382 A405 Q409E377-T379 PolarHBondContact O-N 3.39Å; T379-I381 VanDerWaalsContact C-N 3.26Å; T379-I381 PolarHBondContact O-N 2.99Å; T379-I381 VanDerWaalsContact O-N 3.07Å; T379-A382 VanDerWaalsContact O-CB 3.28Å; T379-A382 WeakPolarHBondContact O-CB 3.37Å; T379-A382 PolarHBondContact O-N 2.9Å; T379-A405 HydrophobicContact CG2-CB 3.77Å; T379-A405 VanDerWaalsContact CG2-O 3.29Å; T379-A405 WeakPolarHBondContact CG2-O 3.4Å; T379-Q409 HydrophobicContact CG2-CB 4.08Å
380F98.9Very high98.3Very high5 Ų511.9 Ų11.92%0.0226%0.061CC..Hα-helixtrans-49-43.1-172.3-173.7-89.3000114L116 C119 L130 I134 V350 D378 A382 D383 L384L116-F380 HydrophobicContact CB-CD2 4.43Å; L116-F380 HydrophobicContact CD2-CB 4.47Å; L116-F380 HydrophobicContact CD2-CD1 3.43Å; L116-F380 VanDerWaalsContact CD2-CD1 3.43Å; L116-F380 HydrophobicContact CD2-CD2 3.7Å; L116-F380 HydrophobicContact CD2-CE1 3.37Å; L116-F380 HydrophobicContact CD2-CE2 3.65Å; L116-F380 HydrophobicContact CD2-CG 3.6Å; L116-F380 HydrophobicContact CD2-CZ 3.5Å; L116-F380 VanDerWaalsContact CD2-CZ 3.5Å; C119-F380 HydrophobicContact CB-CE2 3.94Å; C119-F380 HydrophobicContact CB-CZ 4.31Å; L130-F380 HydrophobicContact CD1-CE2 4.29Å; L130-F380 HydrophobicContact CD2-CD2 3.83Å; L130-F380 HydrophobicContact CD2-CE2 4.16Å; I134-F380 HydrophobicContact CD1-CE1 4.33Å; I134-F380 HydrophobicContact CD1-CE2 4.19Å; I134-F380 HydrophobicContact CD1-CZ 3.88Å; V350-F380 HydrophobicContact CG1-CZ 4.27Å; V350-F380 HydrophobicContact CG2-CE1 4.24Å; V350-F380 HydrophobicContact CG2-CE2 4.48Å; V350-F380 HydrophobicContact CG2-CZ 3.71Å; D378-F380 VanDerWaalsContact OD1-CB 3.24Å; D378-F380 WeakPolarHBondContact OD1-CB 3.4Å; D378-F380 PolarHBondContact OD1-N 2.87Å; F380-A382 PolarHBondContact O-N 3.47Å; F380-D383 PolarHBondContact O-N 2.96Å; F380-D383 VanDerWaalsContact O-N 3.15Å; F380-L384 HydrophobicContact CD1-CB 4.18Å; F380-L384 HydrophobicContact CD1-CD2 4.42Å; F380-L384 HydrophobicContact CE1-CB 4.09Å; F380-L384 HydrophobicContact CE1-CD1 3.96Å; F380-L384 HydrophobicContact CE1-CD2 4.14Å; F380-L384 HydrophobicContact CE1-CG 4.29Å; F380-L384 WeakPolarHBondContact O-CB 3.38Å; F380-L384 PolarHBondContact O-N 2.76Å
381I98.9Very high98.3Very high10 Ų1011.7 Ų11.75%0.0516%0.06CC..Hα-helixtrans-68.1-20.4-176.561169.5000114V369 H371 T379 L384 V385 I393 K406V369-I381 HydrophobicContact CG1-CB 3.85Å; V369-I381 HydrophobicContact CG1-CG2 4.26Å; H371-I381 HydrophobicContact CB-CD1 3.8Å; T379-I381 VanDerWaalsContact C-N 3.26Å; T379-I381 PolarHBondContact O-N 2.99Å; T379-I381 VanDerWaalsContact O-N 3.07Å; I381-L384 HydrophobicContact CG2-CD2 4.43Å; I381-V385 WeakPolarHBondContact O-CG1 3.37Å; I381-V385 PolarHBondContact O-N 3.47Å; I381-I393 HydrophobicContact CD1-CD1 4.47Å; I381-I393 HydrophobicContact CG1-CD1 4.46Å; I381-K406 HydrophobicContact CD1-CG 4.02Å; I381-K406 HydrophobicContact CG1-CG 3.62Å
382A98.9Very high98.3Very high0 Ų011.5 Ų11.50%06%0.059CC..Hα-helixtrans-69.1-43.7171.700000111.3T379 F380 V385 K406 Q409 L410T379-A382 VanDerWaalsContact O-CB 3.28Å; T379-A382 WeakPolarHBondContact O-CB 3.37Å; T379-A382 PolarHBondContact O-N 2.9Å; F380-A382 PolarHBondContact O-N 3.47Å; A382-V385 VanDerWaalsContact O-CG1 3.28Å; A382-V385 WeakPolarHBondContact O-CG1 3.01Å; A382-K406 HydrophobicContact CB-CB 4.22Å; A382-K406 WeakPolarHBondContact CB-O 3.13Å; A382-Q409 HydrophobicContact CB-CB 3.73Å; A382-Q409 HydrophobicContact CB-CG 3.63Å; A382-L410 HydrophobicContact CB-CD2 4.13Å; A382-L410 HydrophobicContact CB-CG 3.85Å; A382-L410 WeakPolarHBondContact O-CD2 3.22Å
383D98.9Very high98.4Very high7 Ų711.2 Ų11.24%0.0376%0.058CC..Hα-helixtrans-70.6-35.3173.4-73.5-101.9000111.6L130 Y131 I134 F380 G387 Q409L130-D383 HydrophobicContact CB-CB 4.07Å; L130-D383 WeakPolarHBondContact CB-OD1 3.35Å; L130-D383 HydrophobicContact CD2-CB 3.71Å; L130-D383 HydrophobicContact CG-CB 3.72Å; Y131-D383 WeakPolarHBondContact CA-O 3.35Å; Y131-D383 WeakPolarHBondContact CB-O 3.37Å; Y131-D383 WeakPolarHBondContact CD1-OD1 3.42Å; Y131-D383 PolarHBondContact N-OD1 2.87Å; I134-D383 HydrophobicContact CD1-CB 4.2Å; F380-D383 PolarHBondContact O-N 2.96Å; F380-D383 VanDerWaalsContact O-N 3.15Å; D383-G387 PolarHBondContact O-N 3.09Å; D383-Q409 WeakPolarHBondContact OD2-CG 3.14Å; D383-Q409 PolarHBondContact OD2-NE2 3.03Å
384L98.9Very high98.7Very high1 Ų111.1 Ų11.11%0.0056%0.057CC..Hα-helixtrans-61.6-49.8178.3-173.866.2000112I134 L342 V344 V369 F380 I381 V386 G387 L388I134-L384 HydrophobicContact CD1-CB 4.3Å; I134-L384 HydrophobicContact CD1-CD1 4.23Å; I134-L384 HydrophobicContact CG2-CD1 3.87Å; L342-L384 HydrophobicContact CD2-CD2 4.31Å; V344-L384 HydrophobicContact CG1-CD2 3.48Å; V344-L384 VanDerWaalsContact CG1-CD2 3.48Å; V369-L384 HydrophobicContact CG1-CD2 4.12Å; F380-L384 HydrophobicContact CD1-CB 4.18Å; F380-L384 HydrophobicContact CD1-CD2 4.42Å; F380-L384 HydrophobicContact CE1-CB 4.09Å; F380-L384 HydrophobicContact CE1-CD1 3.96Å; F380-L384 HydrophobicContact CE1-CD2 4.14Å; F380-L384 HydrophobicContact CE1-CG 4.29Å; F380-L384 WeakPolarHBondContact O-CB 3.38Å; F380-L384 PolarHBondContact O-N 2.76Å; I381-L384 HydrophobicContact CG2-CD2 4.43Å; L384-V386 VanDerWaalsContact C-N 3.29Å; L384-V386 PolarHBondContact O-N 2.91Å; L384-G387 PolarHBondContact O-N 3.33Å; L384-L388 HydrophobicContact CD1-CD1 3.64Å; L384-L388 HydrophobicContact CD1-CG 3.88Å; L384-L388 HydrophobicContact CD2-CD1 4.36Å; L384-L388 HydrophobicContact CG-CD1 3.7Å; L384-L388 HydrophobicContact CG-CG 4.19Å; L384-L388 VanDerWaalsContact O-CB 3.25Å; L384-L388 WeakPolarHBondContact O-CB 3.42Å; L384-L388 VanDerWaalsContact O-CG 3.27Å; L384-L388 WeakPolarHBondContact O-CG 3.39Å; L384-L388 PolarHBondContact O-N 2.85Å
385V98.9Very high98.8Very high0 Ų011.1 Ų11.10%06%0.057CC..Hα-helixtrans-63.3-37.3-177.466.10000112.3P146 V369 I381 A382 C389 T390 Q392 I393 L410P146-V385 HydrophobicContact CB-CG1 4.41Å; P146-V385 HydrophobicContact CB-CG2 3.69Å; P146-V385 HydrophobicContact CG-CG1 3.74Å; P146-V385 HydrophobicContact CG-CG2 3.96Å; V369-V385 HydrophobicContact CB-CB 3.83Å; V369-V385 HydrophobicContact CB-CG2 4.01Å; V369-V385 HydrophobicContact CG1-CB 4.24Å; V369-V385 HydrophobicContact CG2-CB 3.77Å; V369-V385 HydrophobicContact CG2-CG2 3.9Å; I381-V385 WeakPolarHBondContact O-CG1 3.37Å; I381-V385 PolarHBondContact O-N 3.47Å; A382-V385 VanDerWaalsContact O-CG1 3.28Å; A382-V385 WeakPolarHBondContact O-CG1 3.01Å; V385-C389 PolarHBondContact O-N 3.2Å; V385-C389 VanDerWaalsContact O-N 3.09Å; V385-T390 WeakPolarHBondContact CG2-OG1 3.42Å; V385-T390 PolarHBondContact O-N 3.07Å; V385-Q392 WeakPolarHBondContact CG2-O 3.43Å; V385-I393 HydrophobicContact CB-CB 4.39Å; V385-I393 HydrophobicContact CB-CD1 4.35Å; V385-I393 HydrophobicContact CG1-CB 4.28Å; V385-I393 HydrophobicContact CG1-CD1 3.88Å; V385-I393 HydrophobicContact CG2-CB 4.07Å; V385-L410 HydrophobicContact CG1-CD2 3.84Å
386V98.9Very high98.8Very high0 Ų010.9 Ų10.90%06%0.056CC..Hα-helixtrans-70.4-47.2175.8177.30000110.1Y131 L143 L145 L384 L388 C389 L410 I413 L417Y131-V386 HydrophobicContact CD2-CG1 4.3Å; Y131-V386 HydrophobicContact CG-CG1 4.32Å; L143-V386 HydrophobicContact CB-CG1 4.1Å; L143-V386 HydrophobicContact CD1-CG1 4.28Å; L145-V386 HydrophobicContact CD1-CG2 4.02Å; L384-V386 VanDerWaalsContact C-N 3.29Å; L384-V386 PolarHBondContact O-N 2.91Å; V386-L388 VanDerWaalsContact C-N 3.31Å; V386-L388 PolarHBondContact O-N 3.47Å; V386-C389 PolarHBondContact O-N 3.42Å; V386-C389 PolarHBondContact O-SG 2.83Å; V386-L410 HydrophobicContact CG2-CD2 3.62Å; V386-I413 HydrophobicContact CB-CG2 4.42Å; V386-I413 HydrophobicContact CG1-CG2 3.99Å; V386-I413 HydrophobicContact CG2-CD1 4.34Å; V386-I413 HydrophobicContact CG2-CG2 4.07Å; V386-L417 HydrophobicContact CG1-CD1 4.38Å
387G98.8Very high98.8Very high0 Ų010.7 Ų10.70%06%0.055CC..Hα-helixtrans-62.7-37.4179.800000113.3Y131 A135 N140 D383 L384 C389Y131-G387 VanDerWaalsContact O-CA 3.25Å; Y131-G387 WeakPolarHBondContact O-CA 3.36Å; A135-G387 VanDerWaalsContact CA-O 3.29Å; A135-G387 WeakPolarHBondContact CA-O 3.32Å; A135-G387 WeakPolarHBondContact CB-O 3.13Å; N140-G387 PolarHBondContact ND2-O 3.06Å; D383-G387 PolarHBondContact O-N 3.09Å; L384-G387 PolarHBondContact O-N 3.33Å; G387-C389 VanDerWaalsContact C-N 3.29Å
388L98.9Very high98.8Very high1 Ų15.3 Ų5.31%0.0053%0.031CC..THydrogen-bonded Turntrans-80.2-9175.8-67.7-176.2000113.8I134 A138 N140 L342 I354 C357 Q361 V369 L384 V386 T390I134-L388 HydrophobicContact CG2-CD2 4.4Å; I134-L388 HydrophobicContact CG2-CG 4.36Å; A138-L388 HydrophobicContact CB-CD2 3.78Å; N140-L388 VanDerWaalsContact ND2-C 3.31Å; N140-L388 WeakPolarHBondContact ND2-CA 3.32Å; N140-L388 PolarHBondContact ND2-O 2.88Å; L342-L388 HydrophobicContact CD2-CD1 3.46Å; L342-L388 VanDerWaalsContact CD2-CD1 3.46Å; I354-L388 HydrophobicContact CG1-CD2 4.1Å; I354-L388 HydrophobicContact CG2-CD2 4.36Å; C357-L388 HydrophobicContact CB-CD1 3.99Å; C357-L388 HydrophobicContact CB-CD2 4.46Å; Q361-L388 PolarHBondContact NE2-O 3.12Å; V369-L388 HydrophobicContact CG2-CD1 4.48Å; L384-L388 HydrophobicContact CD1-CD1 3.64Å; L384-L388 HydrophobicContact CD1-CG 3.88Å; L384-L388 HydrophobicContact CD2-CD1 4.36Å; L384-L388 HydrophobicContact CG-CD1 3.7Å; L384-L388 HydrophobicContact CG-CG 4.19Å; L384-L388 VanDerWaalsContact O-CB 3.25Å; L384-L388 WeakPolarHBondContact O-CB 3.42Å; L384-L388 VanDerWaalsContact O-CG 3.27Å; L384-L388 WeakPolarHBondContact O-CG 3.39Å; L384-L388 PolarHBondContact O-N 2.85Å; V386-L388 VanDerWaalsContact C-N 3.31Å; V386-L388 PolarHBondContact O-N 3.47Å; L388-T390 HydrophobicContact CB-CG2 3.41Å; L388-T390 VanDerWaalsContact CB-CG2 3.41Å; L388-T390 HydrophobicContact CD1-CG2 4.36Å; L388-T390 PolarHBondContact O-N 2.84Å
389C98.7Very high98.8Very high15 Ų156 Ų610%0.1014%0.037CC..THydrogen-bonded Turntrans53.141178.6-56.60000112.4D142 V385 V386 G387 P431D142-C389 PolarHBondContact O-SG 2.9Å; V385-C389 PolarHBondContact O-N 3.2Å; V385-C389 VanDerWaalsContact O-N 3.09Å; V386-C389 PolarHBondContact O-N 3.42Å; V386-C389 PolarHBondContact O-SG 2.83Å; G387-C389 VanDerWaalsContact C-N 3.29Å; C389-P431 WeakPolarHBondContact O-CG 3.3Å
390T98.8Very high98.8Very high2 Ų28.1 Ų8.11%0.0124%0.041CC..  trans-83.1-18.2-171.584.40000113.5V367 V369 V385 L388 Q392V367-T390 HydrophobicContact CB-CG2 4Å; V367-T390 HydrophobicContact CG1-CG2 4.05Å; V367-T390 WeakPolarHBondContact O-CB 3.5Å; V367-T390 PolarHBondContact O-OG1 3.3Å; V369-T390 HydrophobicContact CG2-CG2 3.97Å; V385-T390 WeakPolarHBondContact CG2-OG1 3.42Å; V385-T390 PolarHBondContact O-N 3.07Å; L388-T390 HydrophobicContact CB-CG2 3.41Å; L388-T390 VanDerWaalsContact CB-CG2 3.41Å; L388-T390 HydrophobicContact CD1-CG2 4.36Å; L388-T390 PolarHBondContact O-N 2.84Å; T390-Q392 VanDerWaalsContact C-N 3.27Å; T390-Q392 PolarHBondContact O-N 3.36Å; T390-Q392 PolarHBondContact OG1-O 3.36Å
391G98.8Very high98.8Very high0 Ų012.4 Ų12.40%07%0.072CC..EExtended strand (participates in β ladder)trans80.3-0.6173.600000115.1P146 V147 A424 F428P146-G391 CarbonylContact C-O 3.56Å; P146-G391 VanDerWaalsContact CA-C 3.44Å; P146-G391 WeakPolarHBondContact CA-O 3.23Å; V147-G391 PolarHBondContact N-O 3.35Å; G391-A424 VanDerWaalsContact O-CB 3.28Å; G391-A424 WeakPolarHBondContact O-CB 3.27Å; G391-F428 WeakPolarHBondContact O-CB 3.44Å
392Q98.9Very high98.8Very high0 Ų013 Ų130%07%0.074CC..EExtended strand (participates in β ladder)trans-156140.7-179.547-178.2-48.100112.4V147 V367 M368 V369 V385 T390 F428V147-Q392 WeakPolarHBondContact O-CA 3.36Å; V367-Q392 VanDerWaalsContact O-CG 3.25Å; V367-Q392 WeakPolarHBondContact O-CG 3.42Å; M368-Q392 HydrophobicContact CB-CG 4.04Å; M368-Q392 HydrophobicContact CG-CG 4.4Å; V369-Q392 PolarHBondContact N-O 3.27Å; V385-Q392 WeakPolarHBondContact CG2-O 3.43Å; T390-Q392 VanDerWaalsContact C-N 3.27Å; T390-Q392 PolarHBondContact O-N 3.36Å; T390-Q392 PolarHBondContact OG1-O 3.36Å; Q392-F428 HydrophobicContact CB-CB 4.35Å; Q392-F428 HydrophobicContact CB-CD2 4.12Å; Q392-F428 HydrophobicContact CG-CD2 4.29Å; Q392-F428 PolarHBondContact NE2-O 2.66Å
393I98.9Very high98.7Very high0 Ų013 Ų130%07%0.074CC..EExtended strand (participates in β ladder)trans-137.8135.5178.2-174.5169000110.4P146 V147 P148 A149 V369 I381 V385 T395 L410P146-I393 HydrophobicContact CB-CB 4.26Å; P146-I393 HydrophobicContact CB-CG2 3.88Å; P146-I393 HydrophobicContact CG-CB 4.21Å; P146-I393 HydrophobicContact CG-CG2 3.55Å; V147-I393 PolarHBondContact O-N 2.9Å; V147-I393 VanDerWaalsContact O-N 3.1Å; P148-I393 WeakPolarHBondContact CA-O 3.18Å; A149-I393 PolarHBondContact N-O 3.37Å; V369-I393 HydrophobicContact CB-CG1 4.47Å; V369-I393 CarbonylContact O-C 3.57Å; V369-I393 VanDerWaalsContact O-CA 3.31Å; V369-I393 WeakPolarHBondContact O-CA 3.44Å; V369-I393 WeakPolarHBondContact O-CG1 3.27Å; I381-I393 HydrophobicContact CD1-CD1 4.47Å; I381-I393 HydrophobicContact CG1-CD1 4.46Å; V385-I393 HydrophobicContact CB-CB 4.39Å; V385-I393 HydrophobicContact CB-CD1 4.35Å; V385-I393 HydrophobicContact CG1-CB 4.28Å; V385-I393 HydrophobicContact CG1-CD1 3.88Å; V385-I393 HydrophobicContact CG2-CB 4.07Å; I393-T395 HydrophobicContact CD1-CG2 3.99Å; I393-T395 HydrophobicContact CG1-CG2 4.19Å; I393-L410 HydrophobicContact CD1-CD1 4.27Å; I393-L410 HydrophobicContact CG2-CD1 3.97Å
394K98.8Very high98.7Very high2 Ų215 Ų151%0.0098%0.084CC..EExtended strand (participates in β ladder)trans-106.7116.4160.978.3175.3-163.2173.30109.9A149 E167 M169 D245 E293 L341 M368 V369 S370 H371A149-K394 HydrophobicContact CB-CB 4.06Å; E167-K394 IonicContact OE1-NZ 3.28Å; E167-K394 IonicContact OE2-NZ 3.9Å; E167-K394 PolarHBondContact OE2-NZ 3.1Å; M169-K394 HydrophobicContact CE-CD 4.5Å; M169-K394 HydrophobicContact SD-CB 4.09Å; M169-K394 HydrophobicContact SD-CD 4.05Å; D245-K394 IonicContact OD2-NZ 2.93Å; E293-K394 IonicContact OE1-NZ 3.83Å; E293-K394 PolarHBondContact OE1-NZ 3.42Å; E293-K394 WeakPolarHBondContact OE2-CE 3.43Å; E293-K394 IonicContact OE2-NZ 3.5Å; E293-K394 PolarHBondContact OE2-NZ 3.48Å; L341-K394 HydrophobicContact CD1-CD 3.84Å; L341-K394 HydrophobicContact CD1-CG 4.15Å; M368-K394 HydrophobicContact CG-CB 4.41Å; M368-K394 HydrophobicContact CG-CG 4.45Å; M368-K394 HydrophobicContact SD-CB 3.74Å; M368-K394 HydrophobicContact SD-CD 3.99Å; M368-K394 HydrophobicContact SD-CG 3.93Å; V369-K394 PolarHBondContact O-N 3.21Å; S370-K394 WeakPolarHBondContact CA-O 3.38Å; S370-K394 WeakPolarHBondContact OG-CE 3.33Å; S370-K394 WeakPolarHBondContact OG-CG 3.37Å; H371-K394 PolarHBondContact N-O 3.17Å
395T98.8Very high98.7Very high0 Ų016 Ų160%09%0.093CC..  trans-138.630.7179-165.10000112.7H371 I393 R403 K406 Y407H371-T395 VanDerWaalsContact CE1-C 3.46Å; H371-T395 WeakPolarHBondContact ND1-CA 3.42Å; H371-T395 PolarHBondContact ND1-O 3.41Å; I393-T395 HydrophobicContact CD1-CG2 3.99Å; I393-T395 HydrophobicContact CG1-CG2 4.19Å; T395-R403 WeakPolarHBondContact O-CA 3.32Å; T395-R403 WeakPolarHBondContact O-CB 3.45Å; T395-R403 VanDerWaalsContact O-CD 3.31Å; T395-R403 WeakPolarHBondContact O-CD 3.38Å; T395-K406 HydrophobicContact CG2-CB 3.75Å; T395-Y407 HydrophobicContact CG2-CD1 3.71Å; T395-Y407 HydrophobicContact CG2-CD2 4.19Å; T395-Y407 HydrophobicContact CG2-CE1 3.22Å; T395-Y407 HydrophobicContact CG2-CE2 3.75Å; T395-Y407 HydrophobicContact CG2-CG 4.18Å; T395-Y407 PolarHBondContact N-OH 2.89Å
396G98.4Very high98.7Very high0 Ų016 Ų160%09%0.093CC..  trans95.2-173.4171.600000114.1F150 H371 Y407F150-G396 WeakPolarHBondContact CA-O 3.38Å; H371-G396 VanDerWaalsContact CE1-CA 3.4Å; H371-G396 WeakPolarHBondContact CE1-CA 3.37Å; H371-G396 PolarHBondContact CE1-N 3.31Å; H371-G396 PolarHBondContact ND1-N 2.84Å; G396-Y407 PolarHBondContact N-OH 3.11Å; G396-Y407 WeakPolarHBondContact O-CE2 3.38Å; G396-Y407 PolarHBondContact O-OH 2.83Å
397A98.7Very high98.7Very high0 Ų016 Ų160%09%0.093CC..  trans-65164.1174.700000111.6N151 Y189 E210 G211 C399 R403N151-A397 VanDerWaalsContact O-CB 3.26Å; N151-A397 WeakPolarHBondContact O-CB 3.5Å; Y189-A397 HydrophobicContact CE2-CB 4.18Å; E210-A397 WeakPolarHBondContact O-CB 3.32Å; E210-A397 PolarHBondContact O-N 3.09Å; G211-A397 VanDerWaalsContact O-CB 3.31Å; G211-A397 WeakPolarHBondContact O-CB 3.33Å; A397-C399 HydrophobicContact CB-CB 3.95Å; A397-C399 PolarHBondContact O-N 3.04Å; A397-R403 WeakPolarHBondContact O-CB 3.39Å
398P98.6Very high98.7Very high16 Ų1618.6 Ų18.610%0.10411%0.107CC..SBendtrans-7248.7160.834-36.4000111F150 A186 Y189 L404F150-P398 HydrophobicContact CD1-CB 4.42Å; F150-P398 HydrophobicContact CD1-CG 4.42Å; F150-P398 HydrophobicContact CE1-CB 4.46Å; A186-P398 HydrophobicContact CB-CB 4.33Å; Y189-P398 HydrophobicContact CD1-CG 4.13Å; Y189-P398 HydrophobicContact CD2-CG 4.41Å; Y189-P398 HydrophobicContact CG-CG 3.8Å; P398-L404 HydrophobicContact CB-CD2 4.42Å
399C98.4Very high98.7Very high33 Ų3320.3 Ų20.322%0.22312%0.115CC..  trans-151.1149.4-177.6-171.50000108.9Y189 A397 R403Y189-C399 HydrophobicContact CE1-CB 3.87Å; A397-C399 HydrophobicContact CB-CB 3.95Å; A397-C399 PolarHBondContact O-N 3.04Å; C399-R403 WeakPolarHBondContact O-CB 3.23Å; C399-R403 VanDerWaalsContact O-CG 3.26Å; C399-R403 WeakPolarHBondContact O-CG 3.34Å
400R98.3Very high98.8Very high79 Ų7919.6 Ų19.630%0.29811%0.11SC..SBendtrans66.3131.7-173.2-44.8174.557.2109.35.1113.4S14 D209 E402 R403 L404S14-R400 PolarHBondContact O-NH2 3.19Å; D209-R400 PolarHBondContact O-NE 2.97Å; R400-E402 VanDerWaalsContact C-N 3.34Å; R400-E402 VanDerWaalsContact CB-OE1 3.27Å; R400-E402 WeakPolarHBondContact CB-OE1 3.34Å; R400-E402 WeakPolarHBondContact CB-OE2 3.48Å; R400-E402 WeakPolarHBondContact CD-OE1 3.21Å; R400-E402 IonicContact CZ-OE1 3.98Å; R400-E402 IonicContact NE-OE1 3.03Å; R400-E402 PolarHBondContact NE-OE1 3.01Å; R400-E402 IonicContact NE-OE2 2.85Å; R400-E402 IonicContact NH2-OE1 3.77Å; R400-E402 PolarHBondContact O-N 2.69Å; R400-R403 HydrophobicContact CB-CG 4.29Å; R400-R403 WeakPolarHBondContact O-CB 3.48Å; R400-R403 PolarHBondContact O-N 3Å; R400-R403 VanDerWaalsContact O-N 3.07Å; R400-L404 PolarHBondContact O-N 2.86Å; R400-L404 VanDerWaalsContact O-N 3.08Å
401S98.8Very high98.8Very high94 Ų9422.1 Ų22.166%0.65712%0.123SC*.Hα-helixtrans-73.1-23.4-164.5-64.60000114.2R403 L404 A405S401-R403 PolarHBondContact O-N 2.98Å; S401-L404 PolarHBondContact O-N 3.15Å; S401-A405 WeakPolarHBondContact O-CB 3.14Å; S401-A405 PolarHBondContact O-N 2.79Å
402E98.7Very high98.8Very high23 Ų2328.5 Ų28.511%0.10715%0.146CC..Hα-helixtrans-63.8-22.4171.977.2-79.9-171.900112.1S14 E375 T376 R400 K406S14-E402 VanDerWaalsContact CB-CD 3.49Å; S14-E402 VanDerWaalsContact CB-CG 3.48Å; E375-E402 HydrophobicContact CB-CB 3.91Å; E375-E402 HydrophobicContact CB-CG 3.68Å; T376-E402 WeakPolarHBondContact O-CB 3.25Å; R400-E402 VanDerWaalsContact C-N 3.34Å; R400-E402 VanDerWaalsContact CB-OE1 3.27Å; R400-E402 WeakPolarHBondContact CB-OE1 3.34Å; R400-E402 WeakPolarHBondContact CB-OE2 3.48Å; R400-E402 WeakPolarHBondContact CD-OE1 3.21Å; R400-E402 IonicContact CZ-OE1 3.98Å; R400-E402 IonicContact NE-OE1 3.03Å; R400-E402 PolarHBondContact NE-OE1 3.01Å; R400-E402 IonicContact NE-OE2 2.85Å; R400-E402 IonicContact NH2-OE1 3.77Å; R400-E402 PolarHBondContact O-N 2.69Å; E402-K406 VanDerWaalsContact O-CD 3.23Å; E402-K406 WeakPolarHBondContact O-CD 3.26Å; E402-K406 VanDerWaalsContact O-CE 3.31Å; E402-K406 WeakPolarHBondContact O-CE 3.25Å; E402-K406 PolarHBondContact O-NZ 2.91Å
403R98.8Very high98.8Very high0 Ų028.5 Ų28.50%015%0.147CC..Hα-helixtrans-88.2-54.4173.9-43.4-52.4165.6-179.31.7109.8S14 D209 H371 R372 S373 T395 A397 C399 R400 S401 A405 K406 Y407S14-R403 PolarHBondContact OG-NH2 3.04Å; D209-R403 PolarHBondContact O-NH2 3.04Å; H371-R403 PolarHBondContact ND1-NH1 3.23Å; H371-R403 VanDerWaalsContact ND1-NH1 3.11Å; R372-R403 PolarHBondContact O-NH1 3Å; S373-R403 PolarHBondContact O-NH2 2.9Å; T395-R403 WeakPolarHBondContact O-CA 3.32Å; T395-R403 WeakPolarHBondContact O-CB 3.45Å; T395-R403 VanDerWaalsContact O-CD 3.31Å; T395-R403 WeakPolarHBondContact O-CD 3.38Å; A397-R403 WeakPolarHBondContact O-CB 3.39Å; C399-R403 WeakPolarHBondContact O-CB 3.23Å; C399-R403 VanDerWaalsContact O-CG 3.26Å; C399-R403 WeakPolarHBondContact O-CG 3.34Å; R400-R403 HydrophobicContact CB-CG 4.29Å; R400-R403 WeakPolarHBondContact O-CB 3.48Å; R400-R403 PolarHBondContact O-N 3Å; R400-R403 VanDerWaalsContact O-N 3.07Å; S401-R403 PolarHBondContact O-N 2.98Å; R403-A405 PolarHBondContact O-N 2.86Å; R403-A405 VanDerWaalsContact O-N 3.15Å; R403-K406 PolarHBondContact O-N 3.49Å; R403-Y407 HydrophobicContact CB-CE2 4.46Å; R403-Y407 PolarHBondContact O-N 3.37Å
404L98.9Very high98.8Very high48 Ų4829.8 Ų29.825%0.25115%0.153SC..Hα-helixtrans-60.1-27.9-179.6-65.3172.6000112.7P398 R400 S401 K406 Y407 N408P398-L404 HydrophobicContact CB-CD2 4.42Å; R400-L404 PolarHBondContact O-N 2.86Å; R400-L404 VanDerWaalsContact O-N 3.08Å; S401-L404 PolarHBondContact O-N 3.15Å; L404-K406 PolarHBondContact O-N 3.06Å; L404-Y407 PolarHBondContact O-N 2.91Å; L404-N408 WeakPolarHBondContact O-CB 3.18Å; L404-N408 PolarHBondContact O-N 3.27Å; L404-N408 PolarHBondContact O-ND2 3.09Å; L404-N408 VanDerWaalsContact O-ND2 3.08Å
405A98.9Very high98.8Very high22 Ų2237 Ų3718%0.18219%0.187CC..Hα-helixtrans-55.8-42.2175.200000111.4T379 S401 R403 Q409T379-A405 HydrophobicContact CG2-CB 3.77Å; T379-A405 VanDerWaalsContact CG2-O 3.29Å; T379-A405 WeakPolarHBondContact CG2-O 3.4Å; S401-A405 WeakPolarHBondContact O-CB 3.14Å; S401-A405 PolarHBondContact O-N 2.79Å; R403-A405 PolarHBondContact O-N 2.86Å; R403-A405 VanDerWaalsContact O-N 3.15Å; A405-Q409 WeakPolarHBondContact O-CB 3.16Å; A405-Q409 PolarHBondContact O-N 3.33Å
406K98.9Very high98.8Very high0 Ų042.8 Ų42.80%021%0.213CC..Hα-helixtrans-73.7-46.3179.4-72.665158.91730111E375 T376 D378 I381 A382 T395 E402 R403 L404 N408 Q409 L410E375-K406 WeakPolarHBondContact OE1-CE 3.36Å; E375-K406 IonicContact OE1-NZ 3.79Å; E375-K406 PolarHBondContact OE1-NZ 2.79Å; E375-K406 IonicContact OE2-NZ 3.69Å; E375-K406 PolarHBondContact OE2-NZ 3.25Å; T376-K406 PolarHBondContact O-NZ 3.45Å; D378-K406 WeakPolarHBondContact O-CD 3.46Å; D378-K406 WeakPolarHBondContact O-CE 3.21Å; D378-K406 PolarHBondContact O-NZ 3.2Å; I381-K406 HydrophobicContact CD1-CG 4.02Å; I381-K406 HydrophobicContact CG1-CG 3.62Å; A382-K406 HydrophobicContact CB-CB 4.22Å; A382-K406 WeakPolarHBondContact CB-O 3.13Å; T395-K406 HydrophobicContact CG2-CB 3.75Å; E402-K406 VanDerWaalsContact O-CD 3.23Å; E402-K406 WeakPolarHBondContact O-CD 3.26Å; E402-K406 VanDerWaalsContact O-CE 3.31Å; E402-K406 WeakPolarHBondContact O-CE 3.25Å; E402-K406 PolarHBondContact O-NZ 2.91Å; R403-K406 PolarHBondContact O-N 3.49Å; L404-K406 PolarHBondContact O-N 3.06Å; K406-N408 VanDerWaalsContact C-N 3.33Å; K406-N408 PolarHBondContact O-N 2.7Å; K406-Q409 WeakPolarHBondContact O-CB 3.46Å; K406-Q409 PolarHBondContact O-N 2.84Å; K406-Q409 VanDerWaalsContact O-N 3.12Å; K406-L410 WeakPolarHBondContact O-CG 3.48Å; K406-L410 PolarHBondContact O-N 3Å
407Y98.9Very high98.8Very high0 Ų043.5 Ų43.50%022%0.217CC..Hα-helixtrans-61.7-41176.5-64.8-51.3000112.4P148 F150 F178 L182 T395 G396 R403 L404 Q409 L410 M411P148-Y407 HydrophobicContact CB-CD1 4.25Å; P148-Y407 HydrophobicContact CB-CE1 3.63Å; F150-Y407 HydrophobicContact CD1-CE1 4.05Å; F150-Y407 AromaticContact CD1-CE2 3.75Å; F150-Y407 HydrophobicContact CD1-CE2 3.75Å; F150-Y407 AromaticContact CD1-CZ 3.46Å; F150-Y407 VanDerWaalsContact CD1-CZ 3.46Å; F150-Y407 WeakPolarHBondContact CD1-OH 3.48Å; F150-Y407 AromaticContact CE1-CD1 3.95Å; F150-Y407 HydrophobicContact CE1-CD1 3.95Å; F150-Y407 HydrophobicContact CE1-CD2 4.04Å; F150-Y407 AromaticContact CE1-CE1 3.54Å; F150-Y407 HydrophobicContact CE1-CE1 3.54Å; F150-Y407 AromaticContact CE1-CE2 3.65Å; F150-Y407 HydrophobicContact CE1-CE2 3.65Å; F150-Y407 HydrophobicContact CE1-CG 4.19Å; F150-Y407 AromaticContact CE1-CZ 3.37Å; F150-Y407 HydrophobicContact CZ-CE1 4.34Å; F178-Y407 WeakPolarHBondContact CE1-O 3.39Å; F178-Y407 HydrophobicContact CZ-CD1 4.05Å; L182-Y407 HydrophobicContact CD1-CD1 4.49Å; L182-Y407 HydrophobicContact CD1-CD2 4.43Å; L182-Y407 HydrophobicContact CD1-CG 4.05Å; T395-Y407 HydrophobicContact CG2-CD1 3.71Å; T395-Y407 HydrophobicContact CG2-CD2 4.19Å; T395-Y407 HydrophobicContact CG2-CE1 3.22Å; T395-Y407 HydrophobicContact CG2-CE2 3.75Å; T395-Y407 HydrophobicContact CG2-CG 4.18Å; T395-Y407 PolarHBondContact N-OH 2.89Å; G396-Y407 PolarHBondContact N-OH 3.11Å; G396-Y407 WeakPolarHBondContact O-CE2 3.38Å; G396-Y407 PolarHBondContact O-OH 2.83Å; R403-Y407 HydrophobicContact CB-CE2 4.46Å; R403-Y407 PolarHBondContact O-N 3.37Å; L404-Y407 PolarHBondContact O-N 2.91Å; Y407-Q409 VanDerWaalsContact C-N 3.31Å; Y407-Q409 PolarHBondContact O-N 2.5Å; Y407-L410 HydrophobicContact CD1-CD1 4.46Å; Y407-L410 PolarHBondContact O-N 2.9Å; Y407-M411 PolarHBondContact O-N 3.07Å
408N98.9Very high98.7Very high55 Ų5545.5 Ų45.529%0.29424%0.237SC..Hα-helixtrans-66.7-35.3174.8-69.7-28.7000111.5L404 K406 M411 R412L404-N408 WeakPolarHBondContact O-CB 3.18Å; L404-N408 PolarHBondContact O-N 3.27Å; L404-N408 PolarHBondContact O-ND2 3.09Å; L404-N408 VanDerWaalsContact O-ND2 3.08Å; K406-N408 VanDerWaalsContact C-N 3.33Å; K406-N408 PolarHBondContact O-N 2.7Å; N408-M411 HydrophobicContact CB-CE 4.38Å; N408-M411 PolarHBondContact O-N 2.85Å; N408-M411 WeakPolarHBondContact OD1-CE 3.33Å; N408-R412 WeakPolarHBondContact O-CG 3.16Å; N408-R412 PolarHBondContact O-N 3.22Å; N408-R412 VanDerWaalsContact O-N 3.15Å
409Q98.9Very high98.7Very high37 Ų3753.2 Ų53.217%0.17328%0.278CS..Hα-helixtrans-64.1-42.1172.7-179.662.56.100111.4T379 A382 D383 A405 K406 Y407 M411 R412 I413T379-Q409 HydrophobicContact CG2-CB 4.08Å; A382-Q409 HydrophobicContact CB-CB 3.73Å; A382-Q409 HydrophobicContact CB-CG 3.63Å; D383-Q409 WeakPolarHBondContact OD2-CG 3.14Å; D383-Q409 PolarHBondContact OD2-NE2 3.03Å; A405-Q409 WeakPolarHBondContact O-CB 3.16Å; A405-Q409 PolarHBondContact O-N 3.33Å; K406-Q409 WeakPolarHBondContact O-CB 3.46Å; K406-Q409 PolarHBondContact O-N 2.84Å; K406-Q409 VanDerWaalsContact O-N 3.12Å; Y407-Q409 VanDerWaalsContact C-N 3.31Å; Y407-Q409 PolarHBondContact O-N 2.5Å; Q409-M411 VanDerWaalsContact C-N 3.34Å; Q409-M411 PolarHBondContact O-N 2.97Å; Q409-R412 WeakPolarHBondContact O-CB 3.42Å; Q409-R412 PolarHBondContact O-N 2.76Å; Q409-R412 VanDerWaalsContact O-N 3.07Å; Q409-R412 VanDerWaalsContact OE1-NH1 3.13Å; Q409-I413 HydrophobicContact CG-CD1 3.98Å; Q409-I413 HydrophobicContact CG-CG1 4.44Å; Q409-I413 WeakPolarHBondContact O-CG1 3.21Å; Q409-I413 PolarHBondContact O-N 3.31Å
410L98.9Very high98.6Very high0 Ų058.8 Ų58.80%030%0.301CS..Hα-helixtrans-62.5-37.9175.6-72.2168000112.9L145 P146 F178 A382 V385 V386 I393 K406 Y407 R412 I413 E414L145-L410 HydrophobicContact CD1-CD2 4.2Å; P146-L410 HydrophobicContact CG-CD1 4.03Å; P146-L410 HydrophobicContact CG-CD2 4.06Å; F178-L410 HydrophobicContact CD1-CB 3.79Å; F178-L410 HydrophobicContact CD2-CB 4.32Å; F178-L410 HydrophobicContact CD2-CD1 4.48Å; F178-L410 HydrophobicContact CE1-CB 3.25Å; F178-L410 HydrophobicContact CE1-CD1 4.36Å; F178-L410 HydrophobicContact CE1-CG 4.42Å; F178-L410 HydrophobicContact CE2-CB 3.83Å; F178-L410 HydrophobicContact CE2-CD1 3.55Å; F178-L410 HydrophobicContact CE2-CG 4.26Å; F178-L410 HydrophobicContact CG-CB 4.31Å; F178-L410 HydrophobicContact CZ-CB 3.28Å; F178-L410 HydrophobicContact CZ-CD1 3.48Å; F178-L410 VanDerWaalsContact CZ-CD1 3.48Å; F178-L410 HydrophobicContact CZ-CG 4Å; A382-L410 HydrophobicContact CB-CD2 4.13Å; A382-L410 HydrophobicContact CB-CG 3.85Å; A382-L410 WeakPolarHBondContact O-CD2 3.22Å; V385-L410 HydrophobicContact CG1-CD2 3.84Å; V386-L410 HydrophobicContact CG2-CD2 3.62Å; I393-L410 HydrophobicContact CD1-CD1 4.27Å; I393-L410 HydrophobicContact CG2-CD1 3.97Å; K406-L410 WeakPolarHBondContact O-CG 3.48Å; K406-L410 PolarHBondContact O-N 3Å; Y407-L410 HydrophobicContact CD1-CD1 4.46Å; Y407-L410 PolarHBondContact O-N 2.9Å; L410-R412 VanDerWaalsContact C-N 3.32Å; L410-R412 PolarHBondContact O-N 2.78Å; L410-I413 PolarHBondContact O-N 3.4Å; L410-E414 WeakPolarHBondContact O-CB 3.47Å; L410-E414 PolarHBondContact O-N 2.97Å
411M98.9Very high98.5Very high56 Ų5656.5 Ų56.528%0.27630%0.299SS..Hα-helixtrans-62.1-38.8171.2-74.3-165.7-69.500112.4F178 R179 L182 Y407 N408 Q409 E415F178-M411 HydrophobicContact CD1-CG 4Å; F178-M411 HydrophobicContact CE1-CG 3.87Å; R179-M411 HydrophobicContact CG-SD 4.28Å; L182-M411 HydrophobicContact CD2-CE 3.57Å; L182-M411 HydrophobicContact CD2-CG 3.88Å; L182-M411 HydrophobicContact CD2-SD 3.57Å; L182-M411 VanDerWaalsContact CD2-SD 3.57Å; Y407-M411 PolarHBondContact O-N 3.07Å; N408-M411 HydrophobicContact CB-CE 4.38Å; N408-M411 PolarHBondContact O-N 2.85Å; N408-M411 WeakPolarHBondContact OD1-CE 3.33Å; Q409-M411 VanDerWaalsContact C-N 3.34Å; Q409-M411 PolarHBondContact O-N 2.97Å; M411-E415 WeakPolarHBondContact O-CB 3.33Å; M411-E415 PolarHBondContact O-N 3.16Å
412R98.9Very high98.4Very high133 Ų13357.9 Ų57.950%0.50229%0.289SS..Hα-helixtrans-67.9-39.8176.4-66.5178.5-156.4109.43.8111.8N408 Q409 L410 E415 E416N408-R412 WeakPolarHBondContact O-CG 3.16Å; N408-R412 PolarHBondContact O-N 3.22Å; N408-R412 VanDerWaalsContact O-N 3.15Å; Q409-R412 WeakPolarHBondContact O-CB 3.42Å; Q409-R412 PolarHBondContact O-N 2.76Å; Q409-R412 VanDerWaalsContact O-N 3.07Å; Q409-R412 VanDerWaalsContact OE1-NH1 3.13Å; L410-R412 VanDerWaalsContact C-N 3.32Å; L410-R412 PolarHBondContact O-N 2.78Å; R412-E415 PolarHBondContact O-N 2.7Å; R412-E416 WeakPolarHBondContact O-CB 3.43Å; R412-E416 PolarHBondContact O-N 3.38Å
413I98.9Very high98.4Very high1 Ų158 Ų581%0.00529%0.29CS..Hα-helixtrans-64.7-43.9176.1-65.4167.6000110.3Y131 V386 Q409 L410 E415 E416 L417Y131-I413 HydrophobicContact CD1-CB 4.35Å; Y131-I413 HydrophobicContact CD1-CD1 3.93Å; Y131-I413 HydrophobicContact CD1-CG1 3.69Å; Y131-I413 HydrophobicContact CD1-CG2 3.78Å; Y131-I413 HydrophobicContact CE1-CB 4.33Å; Y131-I413 HydrophobicContact CE1-CG1 3.93Å; Y131-I413 HydrophobicContact CE1-CG2 3.81Å; Y131-I413 HydrophobicContact CG-CG2 4.15Å; V386-I413 HydrophobicContact CB-CG2 4.42Å; V386-I413 HydrophobicContact CG1-CG2 3.99Å; V386-I413 HydrophobicContact CG2-CD1 4.34Å; V386-I413 HydrophobicContact CG2-CG2 4.07Å; Q409-I413 HydrophobicContact CG-CD1 3.98Å; Q409-I413 HydrophobicContact CG-CG1 4.44Å; Q409-I413 WeakPolarHBondContact O-CG1 3.21Å; Q409-I413 PolarHBondContact O-N 3.31Å; L410-I413 PolarHBondContact O-N 3.4Å; I413-E415 VanDerWaalsContact C-N 3.34Å; I413-E415 PolarHBondContact O-N 3.47Å; I413-E416 PolarHBondContact O-N 3.11Å; I413-L417 HydrophobicContact CG2-CD1 3.79Å; I413-L417 HydrophobicContact CG2-CG 4.32Å; I413-L417 WeakPolarHBondContact O-CB 3.22Å; I413-L417 WeakPolarHBondContact O-CG 3.37Å; I413-L417 PolarHBondContact O-N 2.72Å
414E98.9Very high98.4Very high26 Ų2658 Ų5812%0.12129%0.29CS..Hα-helixtrans-57.5-46.3173.6-179.5176.1-122.900111.5L145 S177 F178 R179 L410 L417 G418 A421L145-E414 HydrophobicContact CD1-CB 4.13Å; L145-E414 HydrophobicContact CG-CB 4.1Å; L145-E414 HydrophobicContact CG-CG 4.49Å; S177-E414 WeakPolarHBondContact CB-OE1 3.31Å; S177-E414 PolarHBondContact OG-OE1 2.96Å; F178-E414 WeakPolarHBondContact CB-OE1 3.47Å; F178-E414 PolarHBondContact N-OE1 2.99Å; R179-E414 WeakPolarHBondContact CB-OE2 3.33Å; R179-E414 PolarHBondContact N-OE2 2.9Å; L410-E414 WeakPolarHBondContact O-CB 3.47Å; L410-E414 PolarHBondContact O-N 2.97Å; E414-L417 PolarHBondContact O-N 3.26Å; E414-G418 PolarHBondContact O-N 3.31Å; E414-G418 VanDerWaalsContact O-N 3.11Å; E414-A421 HydrophobicContact CG-CB 4.14Å
415E98.8Very high98.4Very high155 Ų15556.1 Ų56.172%0.72428%0.282SS*.Hα-helixtrans-62.5-41.3177-173.9177.796.200112.6M411 R412 I413 G418M411-E415 WeakPolarHBondContact O-CB 3.33Å; M411-E415 PolarHBondContact O-N 3.16Å; R412-E415 PolarHBondContact O-N 2.7Å; I413-E415 VanDerWaalsContact C-N 3.34Å; I413-E415 PolarHBondContact O-N 3.47Å; E415-G418 PolarHBondContact O-N 2.75Å
416E98.8Very high98.4Very high120 Ų12061.4 Ų61.456%0.56130%0.303SS*.Hα-helixtrans-68.6-37.1179-171.3178.8-156.300112.6P129 Y131 R412 I413 G418P129-E416 VanDerWaalsContact CG-OE1 3.29Å; P129-E416 WeakPolarHBondContact CG-OE1 3.4Å; Y131-E416 WeakPolarHBondContact CE1-OE2 3.31Å; Y131-E416 PolarHBondContact OH-OE2 3.23Å; R412-E416 WeakPolarHBondContact O-CB 3.43Å; R412-E416 PolarHBondContact O-N 3.38Å; I413-E416 PolarHBondContact O-N 3.11Å; E416-G418 VanDerWaalsContact C-N 3.33Å
417L98.4Very high98.4Very high16 Ų1664.8 Ų64.88%0.08432%0.321CS..Hα-helixtrans-71.4-27.2176.3-72.2170.7000112.5Y131 L143 L145 V386 I413 E414 D419 Q420 A421Y131-L417 HydrophobicContact CE2-CD2 3.96Å; Y131-L417 HydrophobicContact CE2-CG 4.43Å; L143-L417 HydrophobicContact CB-CD1 4.49Å; L143-L417 HydrophobicContact CD1-CD2 3.99Å; L145-L417 HydrophobicContact CD2-CD1 3.68Å; V386-L417 HydrophobicContact CG1-CD1 4.38Å; I413-L417 HydrophobicContact CG2-CD1 3.79Å; I413-L417 HydrophobicContact CG2-CG 4.32Å; I413-L417 WeakPolarHBondContact O-CB 3.22Å; I413-L417 WeakPolarHBondContact O-CG 3.37Å; I413-L417 PolarHBondContact O-N 2.72Å; E414-L417 PolarHBondContact O-N 3.26Å; L417-D419 PolarHBondContact O-N 3.37Å; L417-Q420 WeakPolarHBondContact O-CB 3.41Å; L417-Q420 PolarHBondContact O-N 3.41Å; L417-A421 HydrophobicContact CB-CB 3.9Å
418G98Very high98.4Very high41 Ų4165.3 Ų65.342%0.42332%0.323SS..G310 helixtrans53.9-126177.300000112.1E414 E415 E416 Q420 A421E414-G418 PolarHBondContact O-N 3.31Å; E414-G418 VanDerWaalsContact O-N 3.11Å; E415-G418 PolarHBondContact O-N 2.75Å; E416-G418 VanDerWaalsContact C-N 3.33Å; G418-Q420 PolarHBondContact O-N 3.41Å; G418-Q420 VanDerWaalsContact O-N 3.08Å; G418-A421 VanDerWaalsContact O-CB 3.23Å; G418-A421 WeakPolarHBondContact O-CB 3.41Å; G418-A421 PolarHBondContact O-N 2.98Å
419D96.8Very high98.4Very high179 Ų17967 Ų6796%0.95733%0.325SS*.G310 helixtrans-64.1-13.5-179.7-61.8-25.4000114L417L417-D419 PolarHBondContact O-N 3.37Å
420Q96.4Very high98.3Very high149 Ų14969.5 Ų69.570%0.69634%0.34SS*.G310 helixtrans-84.9-12.9174.4-57.3-176.7-16.700112.6L417 G418 R422L417-Q420 WeakPolarHBondContact O-CB 3.41Å; L417-Q420 PolarHBondContact O-N 3.41Å; G418-Q420 PolarHBondContact O-N 3.41Å; G418-Q420 VanDerWaalsContact O-N 3.08Å; Q420-R422 PolarHBondContact O-N 2.94Å
421A96.4Very high98.2Very high31 Ų3170 Ų7026%0.25634%0.343SS..  trans-66.9119.218000000110.3L145 E414 L417 G418L145-A421 HydrophobicContact CD2-CB 4.2Å; E414-A421 HydrophobicContact CG-CB 4.14Å; L417-A421 HydrophobicContact CB-CB 3.9Å; G418-A421 VanDerWaalsContact O-CB 3.23Å; G418-A421 WeakPolarHBondContact O-CB 3.41Å; G418-A421 PolarHBondContact O-N 2.98Å
422R98Very high97.9Very high123 Ų12372.3 Ų72.346%0.46437%0.365SS..  trans-110.6126.1170-61.6-170.3-173.3-129.81.2109.2V144 L145 Q420 L434V144-R422 CarbonylContact C-O 3.49Å; V144-R422 WeakPolarHBondContact CA-O 3.24Å; V144-R422 WeakPolarHBondContact CG1-O 3.43Å; L145-R422 PolarHBondContact N-O 3.31Å; Q420-R422 PolarHBondContact O-N 2.94Å; R422-L434 PolarHBondContact NH1-OXT 3.03Å
423F98.8Very high97.5Very high26 Ų2669.2 Ų69.211%0.11437%0.368CS..BIsolated β-bridgetrans-90.5134.3174.1177.6-117000110.5L145 P146 V147 A175 F178 A181 G425L145-F423 HydrophobicContact CB-CD2 4.38Å; P146-F423 VanDerWaalsContact O-CE2 3.28Å; P146-F423 WeakPolarHBondContact O-CE2 3.43Å; V147-F423 HydrophobicContact CB-CZ 4.42Å; V147-F423 HydrophobicContact CG2-CE1 4.36Å; V147-F423 HydrophobicContact CG2-CE2 4.13Å; V147-F423 HydrophobicContact CG2-CZ 3.74Å; A175-F423 HydrophobicContact CB-CE1 3.92Å; A175-F423 HydrophobicContact CB-CZ 4.26Å; A175-F423 WeakPolarHBondContact O-CD1 3.18Å; A175-F423 WeakPolarHBondContact O-CE1 3.47Å; F178-F423 HydrophobicContact CB-CD2 4.15Å; F178-F423 HydrophobicContact CB-CE2 4.45Å; A181-F423 HydrophobicContact CB-CE2 4.06Å; A181-F423 HydrophobicContact CB-CZ 3.72Å; F423-G425 VanDerWaalsContact C-N 3.33Å; F423-G425 PolarHBondContact O-N 2.93Å
424A98.8Very high96.9Very high1 Ų173.3 Ų73.31%0.00839%0.389CS..  trans-64-36.5-174.500000113.7V144 L145 V147 G391 H426 N427 F428 P431V144-A424 HydrophobicContact CG1-CB 3.79Å; L145-A424 WeakPolarHBondContact O-CB 3.31Å; L145-A424 PolarHBondContact O-N 3.32Å; V147-A424 HydrophobicContact CG2-CB 4.29Å; G391-A424 VanDerWaalsContact O-CB 3.28Å; G391-A424 WeakPolarHBondContact O-CB 3.27Å; A424-H426 PolarHBondContact O-N 3.3Å; A424-N427 CarbonylContact O-C 3.54Å; A424-N427 WeakPolarHBondContact O-CA 3.4Å; A424-N427 WeakPolarHBondContact O-CB 3.43Å; A424-N427 PolarHBondContact O-N 3.23Å; A424-F428 HydrophobicContact CB-CB 4.48Å; A424-P431 HydrophobicContact CB-CB 4.36Å
425G98.7Very high96.8Very high8 Ų875.7 Ų75.78%0.08240%0.402CS..G310 helixtrans48-131.7179.400000113.2V147 V173 F423 N427 F428V147-G425 VanDerWaalsContact CG2-O 3.26Å; V147-G425 WeakPolarHBondContact CG2-O 2.93Å; V173-G425 CarbonylContact O-C 3.5Å; V173-G425 WeakPolarHBondContact O-CA 3.15Å; F423-G425 VanDerWaalsContact C-N 3.33Å; F423-G425 PolarHBondContact O-N 2.93Å; G425-N427 PolarHBondContact O-N 3.19Å; G425-N427 VanDerWaalsContact O-N 3.11Å; G425-F428 WeakPolarHBondContact O-CB 3.32Å; G425-F428 PolarHBondContact O-N 2.98Å; G425-F428 VanDerWaalsContact O-N 3.15Å
426H98.5Very high96.7Very high132 Ų13271.5 Ų71.561%0.61139%0.385SS*.G310 helixtrans-61.9-17.5177.4-67.4-75.2000114.4V173 A424 F428V173-H426 PolarHBondContact O-N 2.89Å; A424-H426 PolarHBondContact O-N 3.3Å; H426-F428 VanDerWaalsContact C-N 3.31Å; H426-F428 PolarHBondContact O-N 2.74Å
427N98.6Very high96.6Very high71 Ų7168.8 Ų68.838%0.3838%0.375SS..G310 helixtrans-89.315.5177.2-64.6-52.8000113.2A424 G425 R429 N430 L434A424-N427 CarbonylContact O-C 3.54Å; A424-N427 WeakPolarHBondContact O-CA 3.4Å; A424-N427 WeakPolarHBondContact O-CB 3.43Å; A424-N427 PolarHBondContact O-N 3.23Å; G425-N427 PolarHBondContact O-N 3.19Å; G425-N427 VanDerWaalsContact O-N 3.11Å; N427-R429 PolarHBondContact O-N 3.03Å; N427-N430 CarbonylContact O-C 3.56Å; N427-N430 PolarHBondContact O-N 2.62Å; N427-L434 HydrophobicContact CB-CD2 4.16Å; N427-L434 HydrophobicContact CB-CG 4.25Å; N427-L434 VanDerWaalsContact ND2-CD2 3.28Å; N427-L434 WeakPolarHBondContact ND2-CD2 3.39Å
428F98.8Very high96.5Very high12 Ų1271.9 Ų71.95%0.05339%0.393CS..THydrogen-bonded Turntrans-50.9-28.8-177.977.7-84.2000115.3V147 L171 V173 V290 G391 Q392 A424 G425 H426V147-F428 HydrophobicContact CB-CB 4Å; V147-F428 HydrophobicContact CG2-CB 3.68Å; L171-F428 HydrophobicContact CD2-CE2 4.39Å; V173-F428 HydrophobicContact CG1-CD1 3.93Å; V173-F428 HydrophobicContact CG1-CE1 4.19Å; V290-F428 HydrophobicContact CG2-CZ 4.1Å; G391-F428 WeakPolarHBondContact O-CB 3.44Å; Q392-F428 HydrophobicContact CB-CB 4.35Å; Q392-F428 HydrophobicContact CB-CD2 4.12Å; Q392-F428 HydrophobicContact CG-CD2 4.29Å; Q392-F428 PolarHBondContact NE2-O 2.66Å; A424-F428 HydrophobicContact CB-CB 4.48Å; G425-F428 WeakPolarHBondContact O-CB 3.32Å; G425-F428 PolarHBondContact O-N 2.98Å; G425-F428 VanDerWaalsContact O-N 3.15Å; H426-F428 VanDerWaalsContact C-N 3.31Å; H426-F428 PolarHBondContact O-N 2.74Å
429R98.6Very high96.4Very high91 Ų9173.8 Ų73.834%0.34339%0.391SS..THydrogen-bonded Turntrans-75.9-29.3176.4-58.7178.164.61783.9113.3G312 I313 N338 G366 N427G312-R429 PolarHBondContact O-NH1 3.34Å; I313-R429 PolarHBondContact O-NH2 3.42Å; I313-R429 VanDerWaalsContact O-NH2 3.1Å; N338-R429 PolarHBondContact ND2-NH2 2.75Å; G366-R429 WeakPolarHBondContact CA-O 3.16Å; N427-R429 PolarHBondContact O-N 3.03Å
430N97.8Very high96.4Very high89 Ų8966.8 Ų66.848%0.47635%0.353SS..  trans-147.974.2-178.5-177.615.7000110.7N427 S432 A433N427-N430 CarbonylContact O-C 3.56Å; N427-N430 PolarHBondContact O-N 2.62Å; N430-S432 PolarHBondContact O-N 2.87Å; N430-S432 PolarHBondContact OD1-OG 3.24Å; N430-A433 PolarHBondContact O-N 3.49Å
431P96.3Very high96.4Very high11 Ų1160.9 Ų60.97%0.07133%0.328CS..G310 helixtrans-68.8-12.6-177.329.2-38.5000113.7V144 C389 A424 A433 L434V144-P431 HydrophobicContact CB-CB 4.19Å; V144-P431 HydrophobicContact CG1-CB 3.77Å; V144-P431 HydrophobicContact CG2-CB 4.17Å; C389-P431 WeakPolarHBondContact O-CG 3.3Å; A424-P431 HydrophobicContact CB-CB 4.36Å; P431-A433 PolarHBondContact O-N 3.44Å; P431-A433 VanDerWaalsContact O-N 3.12Å; P431-L434 HydrophobicContact CB-CD1 4.11Å; P431-L434 WeakPolarHBondContact O-CB 3.43Å; P431-L434 WeakPolarHBondContact O-CD1 3.06Å; P431-L434 WeakPolarHBondContact O-CG 3.31Å; P431-L434 PolarHBondContact O-N 3.16Å
432S92.6Very high96.4Very high104 Ų10463.2 Ų63.273%0.72733%0.334SS*.G310 helixtrans-64.9-12.9176.973.90000113.7N430 L434N430-S432 PolarHBondContact O-N 2.87Å; N430-S432 PolarHBondContact OD1-OG 3.24Å; S432-L434 VanDerWaalsContact C-N 3.3Å
433A90.2Very high96.3Very high68 Ų6858.3 Ų58.356%0.56232%0.323SS*.G310 helixtrans-82.91.117700000114.5N430 P431N430-A433 PolarHBondContact O-N 3.49Å; P431-A433 PolarHBondContact O-N 3.44Å; P431-A433 VanDerWaalsContact O-N 3.12Å
434L87.8Confident96Very high86 Ų8661.2 Ų61.245%0.4534%0.342SS..  trans-83.70-175.1-70.7167.7000115.5V144 R422 N427 P431 S432V144-L434 HydrophobicContact CG1-CD1 3.86Å; V144-L434 HydrophobicContact CG2-CD1 4.25Å; R422-L434 PolarHBondContact NH1-OXT 3.03Å; N427-L434 HydrophobicContact CB-CD2 4.16Å; N427-L434 HydrophobicContact CB-CG 4.25Å; N427-L434 VanDerWaalsContact ND2-CD2 3.28Å; N427-L434 WeakPolarHBondContact ND2-CD2 3.39Å; P431-L434 HydrophobicContact CB-CD1 4.11Å; P431-L434 WeakPolarHBondContact O-CB 3.43Å; P431-L434 WeakPolarHBondContact O-CD1 3.06Å; P431-L434 WeakPolarHBondContact O-CG 3.31Å; P431-L434 PolarHBondContact O-N 3.16Å; S432-L434 VanDerWaalsContact C-N 3.3Å

Retrieved 434 of 434 residues in 110.7 ms (Link to these results)

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