A0A096LS40_POEFO Loading...

AP-1 complex subunit mu-2

Subunit of clathrin-associated adaptor protein complex 1 that plays a role in protein sorting in the trans-Golgi network (TGN) and endosomes. The AP complexes mediate the recruitment of clathrin to membranes and the recognition of sorting signals within the cytosolic tails of transmembrane cargo molecules.

AlphaFold DB , UniProt , Accession A0A096LS40, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 424 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
1M61.1Low92.1Very high108 Ų10820.2 Ų20.253%0.53210%0.103SC..  0134.30-91.6-174.6-89.800107.4K73 S75 F122M1-K73 HydrophobicContact CE-CD 4.49Å; M1-K73 HydrophobicContact SD-CD 4.46Å; M1-S75 VanDerWaalsContact O-CA 3.29Å; M1-S75 WeakPolarHBondContact O-CA 3.5Å; M1-S75 WeakPolarHBondContact O-CB 3.4Å; M1-S75 PolarHBondContact O-OG 3.48Å; M1-S75 VanDerWaalsContact O-OG 3.04Å; M1-F122 HydrophobicContact CG-CE2 4.33Å; M1-F122 HydrophobicContact CG-CZ 3.89Å
2S82.3Confident92.3Very high1 Ų133.7 Ų33.71%0.00716%0.161CC..  trans-110.3-86.2-164.3-6.90000112.4S75 L79 G121S2-S75 WeakPolarHBondContact O-CB 3.34Å; S2-S75 PolarHBondContact O-OG 3.36Å; S2-L79 WeakPolarHBondContact OG-CD2 3.46Å; S2-G121 WeakPolarHBondContact CB-O 3.47Å; S2-G121 PolarHBondContact OG-O 2.88Å
3A91.8Very high92.5Very high2 Ų232.5 Ų32.52%0.01716%0.163CC..  trans-100.7150.7178.600000111.4I6 K22 A69 M118 G121A3-I6 HydrophobicContact CB-CD1 4.5Å; A3-I6 HydrophobicContact CB-CG1 4.17Å; A3-K22 VanDerWaalsContact O-CE 3.22Å; A3-K22 WeakPolarHBondContact O-CE 3.45Å; A3-K22 PolarHBondContact O-NZ 2.81Å; A3-A69 HydrophobicContact CB-CB 4.1Å; A3-M118 HydrophobicContact CB-CE 4.34Å; A3-M118 HydrophobicContact CB-SD 4.16Å; A3-G121 VanDerWaalsContact O-CA 3.31Å; A3-G121 WeakPolarHBondContact O-CA 3.49Å
4S95.5Very high92.8Very high0 Ų039.6 Ų39.60%019%0.192CC..SBendtrans-91.8-51.6167.9175.70000110.1N20 Y21 K22 D24 V25 T70S4-N20 PolarHBondContact O-OD1 3.45Å; S4-Y21 WeakPolarHBondContact O-CA 3.45Å; S4-Y21 WeakPolarHBondContact O-CB 3.48Å; S4-Y21 PolarHBondContact O-N 3.11Å; S4-K22 PolarHBondContact O-N 3.18Å; S4-D24 WeakPolarHBondContact CB-OD1 3.49Å; S4-D24 PolarHBondContact OG-OD1 3.1Å; S4-V25 WeakPolarHBondContact OG-CG2 3.42Å; S4-V25 PolarHBondContact OG-N 3.12Å; S4-T70 VanDerWaalsContact CB-O 3.28Å; S4-T70 WeakPolarHBondContact CB-O 3.49Å; S4-T70 PolarHBondContact N-O 3.42Å
5A97.4Very high93.1Very high0 Ų040.2 Ų40.20%020%0.199CC..EExtended strand (participates in β ladder)trans-139157.3172.900000110.3F7 R19 N20 M27 A69 T70A5-F7 HydrophobicContact CB-CD2 4.42Å; A5-F7 HydrophobicContact CB-CE2 3.62Å; A5-F7 HydrophobicContact CB-CZ 4.08Å; A5-R19 CarbonylContact C-O 3.59Å; A5-R19 WeakPolarHBondContact CA-O 3.4Å; A5-R19 WeakPolarHBondContact CB-O 3.17Å; A5-N20 HydrophobicContact CB-CB 4.46Å; A5-M27 HydrophobicContact CB-CE 4.08Å; A5-M27 HydrophobicContact CB-SD 3.61Å; A5-A69 WeakPolarHBondContact O-CA 3.44Å; A5-T70 PolarHBondContact N-OG1 3.37Å; A5-T70 PolarHBondContact O-N 3.24Å; A5-T70 PolarHBondContact O-OG1 2.88Å
6I97.9Very high93.4Very high2 Ų239.9 Ų39.91%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-121.7136.2173.5-64.5178.9000108.3A3 C18 R19 Y21 V68 A69 F83 I87 M118A3-I6 HydrophobicContact CB-CD1 4.5Å; A3-I6 HydrophobicContact CB-CG1 4.17Å; I6-C18 CarbonylContact O-C 3.54Å; I6-C18 VanDerWaalsContact O-CA 3.29Å; I6-C18 WeakPolarHBondContact O-CA 3.38Å; I6-R19 PolarHBondContact N-O 3.11Å; I6-R19 PolarHBondContact O-N 2.83Å; I6-Y21 HydrophobicContact CB-CE2 4.11Å; I6-Y21 HydrophobicContact CD1-CE2 3.8Å; I6-Y21 HydrophobicContact CG1-CD2 4.49Å; I6-Y21 HydrophobicContact CG1-CE2 3.84Å; I6-V68 CarbonylContact C-O 3.59Å; I6-V68 WeakPolarHBondContact CA-O 3.27Å; I6-A69 HydrophobicContact CG1-CB 4.39Å; I6-F83 HydrophobicContact CD1-CD1 3.84Å; I6-F83 HydrophobicContact CD1-CE1 3.43Å; I6-F83 VanDerWaalsContact CD1-CE1 3.43Å; I6-I87 HydrophobicContact CD1-CD1 3.82Å; I6-I87 HydrophobicContact CG2-CD1 4.24Å; I6-M118 HydrophobicContact CD1-CE 4.32Å; I6-M118 HydrophobicContact CD1-SD 4.04Å
7F98.4Very high93.6Very high4 Ų437.9 Ų37.92%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-125.2143.2178.8-58.8-101.6000109A5 L9 V15 C18 M27 I30 L67 V68 T70A5-F7 HydrophobicContact CB-CD2 4.42Å; A5-F7 HydrophobicContact CB-CE2 3.62Å; A5-F7 HydrophobicContact CB-CZ 4.08Å; F7-L9 HydrophobicContact CB-CD2 3.92Å; F7-V15 HydrophobicContact CD1-CG1 4.14Å; F7-V15 HydrophobicContact CD1-CG2 4.2Å; F7-C18 HydrophobicContact CD1-CB 3.35Å; F7-C18 HydrophobicContact CE1-CB 3.68Å; F7-C18 HydrophobicContact CG-CB 4.07Å; F7-M27 HydrophobicContact CD1-CE 4.33Å; F7-M27 HydrophobicContact CE1-CE 3.39Å; F7-M27 HydrophobicContact CE1-SD 4.23Å; F7-M27 HydrophobicContact CE2-CE 4.23Å; F7-M27 HydrophobicContact CE2-SD 4.42Å; F7-M27 HydrophobicContact CZ-CB 4.39Å; F7-M27 HydrophobicContact CZ-CE 3.32Å; F7-M27 HydrophobicContact CZ-SD 3.61Å; F7-I30 HydrophobicContact CB-CD1 4.06Å; F7-I30 HydrophobicContact CB-CG1 4.28Å; F7-I30 HydrophobicContact CD1-CB 4.04Å; F7-I30 HydrophobicContact CD1-CD1 4.18Å; F7-I30 HydrophobicContact CD1-CG1 3.7Å; F7-I30 HydrophobicContact CD1-CG2 4.21Å; F7-I30 HydrophobicContact CD2-CD1 3.82Å; F7-I30 HydrophobicContact CD2-CG1 4.24Å; F7-I30 HydrophobicContact CE1-CB 3.8Å; F7-I30 HydrophobicContact CE1-CG1 4.01Å; F7-I30 HydrophobicContact CE1-CG2 3.87Å; F7-I30 HydrophobicContact CE2-CB 4.45Å; F7-I30 HydrophobicContact CE2-CD1 4.29Å; F7-I30 HydrophobicContact CG-CB 4.46Å; F7-I30 HydrophobicContact CG-CD1 3.77Å; F7-I30 HydrophobicContact CG-CG1 3.83Å; F7-I30 HydrophobicContact CZ-CB 4.02Å; F7-I30 HydrophobicContact CZ-CG1 4.42Å; F7-I30 HydrophobicContact CZ-CG2 4.46Å; F7-L67 WeakPolarHBondContact O-CA 3.25Å; F7-V68 HydrophobicContact CB-CB 4.41Å; F7-V68 PolarHBondContact N-O 2.92Å; F7-V68 PolarHBondContact O-N 2.85Å; F7-T70 HydrophobicContact CD2-CG2 4.1Å; F7-T70 HydrophobicContact CE2-CG2 3.67Å
8V98.3Very high93.8Very high3 Ų337.9 Ų37.92%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-113.6122.1163.4-169.80000107.1L16 I17 L65 Y66 L67 I103V8-L16 WeakPolarHBondContact O-CB 3.39Å; V8-L16 PolarHBondContact O-N 2.77Å; V8-I17 HydrophobicContact CB-CG2 3.84Å; V8-I17 HydrophobicContact CG2-CG2 3.68Å; V8-I17 PolarHBondContact N-O 3.21Å; V8-I17 PolarHBondContact O-N 2.81Å; V8-L65 HydrophobicContact CG1-CB 4.25Å; V8-L65 HydrophobicContact CG1-CD1 4.06Å; V8-L65 HydrophobicContact CG1-CD2 4.16Å; V8-L65 HydrophobicContact CG1-CG 4.41Å; V8-Y66 CarbonylContact C-O 3.49Å; V8-Y66 WeakPolarHBondContact CA-O 3.34Å; V8-L67 HydrophobicContact CG2-CG 4.41Å; V8-I103 HydrophobicContact CG1-CG1 4.39Å
9L98.2Very high94Very high1 Ų140.5 Ų40.51%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-115153.7-177.9-40.4177000110.6F7 K14 V15 I30 F33 L65 Y66 V68F7-L9 HydrophobicContact CB-CD2 3.92Å; L9-K14 CarbonylContact C-O 3.59Å; L9-K14 WeakPolarHBondContact CA-O 3.3Å; L9-V15 HydrophobicContact CD2-CB 4.05Å; L9-V15 HydrophobicContact CD2-CG1 4.42Å; L9-V15 HydrophobicContact CD2-CG2 3.59Å; L9-I30 HydrophobicContact CD1-CD1 4.16Å; L9-I30 HydrophobicContact CD1-CG1 4.29Å; L9-I30 HydrophobicContact CD2-CD1 4.43Å; L9-I30 HydrophobicContact CD2-CG1 3.99Å; L9-F33 HydrophobicContact CD1-CD1 3.49Å; L9-F33 VanDerWaalsContact CD1-CD1 3.49Å; L9-F33 HydrophobicContact CD1-CE1 3.84Å; L9-F33 HydrophobicContact CD1-CG 4.5Å; L9-L65 CarbonylContact O-C 3.51Å; L9-L65 VanDerWaalsContact O-CA 3.31Å; L9-L65 WeakPolarHBondContact O-CA 3.19Å; L9-Y66 PolarHBondContact N-O 3.2Å; L9-Y66 PolarHBondContact O-N 3.42Å; L9-V68 HydrophobicContact CD1-CG2 3.87Å; L9-V68 HydrophobicContact CG-CG2 4.29Å
10D97Very high94.2Very high11 Ų1141.1 Ų41.16%0.05920%0.203CC..  trans-76.5179.316674.15.5000111.8K12 G13 K14 L16 Y66D10-K12 PolarHBondContact O-N 2.75Å; D10-K12 VanDerWaalsContact OD1-C 3.32Å; D10-K12 VanDerWaalsContact OD1-CA 3.29Å; D10-K12 WeakPolarHBondContact OD1-CA 2.95Å; D10-K12 WeakPolarHBondContact OD1-CB 3.35Å; D10-K12 PolarHBondContact OD1-N 2.9Å; D10-G13 PolarHBondContact O-N 2.83Å; D10-G13 VanDerWaalsContact O-N 3.1Å; D10-G13 PolarHBondContact OD1-N 3.34Å; D10-K14 PolarHBondContact N-O 3Å; D10-K14 WeakPolarHBondContact OD1-CB 3.24Å; D10-K14 PolarHBondContact OD1-N 2.92Å; D10-K14 WeakPolarHBondContact OD2-CB 3.47Å; D10-L16 HydrophobicContact CB-CD1 4.34Å; D10-L16 HydrophobicContact CB-CD2 4.27Å; D10-L16 HydrophobicContact CB-CG 4.33Å; D10-Y66 WeakPolarHBondContact O-CD2 3.47Å
11L95.6Very high94.3Very high90 Ų9040.3 Ų40.347%0.47120%0.198SC..THydrogen-bonded Turntrans-63.9-17177.1-69.4-179.7000114.6M34 N64 Y66L11-M34 WeakPolarHBondContact O-CE 3.37Å; L11-N64 HydrophobicContact CD1-CB 4Å; L11-N64 HydrophobicContact CG-CB 4Å; L11-N64 WeakPolarHBondContact CG-O 3.05Å; L11-N64 PolarHBondContact N-O 2.82Å; L11-Y66 HydrophobicContact CD2-CE2 4.1Å
12K94.7Very high95.8Very high182 Ų18236.6 Ų36.679%0.79118%0.179SC*.THydrogen-bonded Turntrans-92.9-5178.1-60.8175.7-177.5171.20112.1D10D10-K12 PolarHBondContact O-N 2.75Å; D10-K12 VanDerWaalsContact OD1-C 3.32Å; D10-K12 VanDerWaalsContact OD1-CA 3.29Å; D10-K12 WeakPolarHBondContact OD1-CA 2.95Å; D10-K12 WeakPolarHBondContact OD1-CB 3.35Å; D10-K12 PolarHBondContact OD1-N 2.9Å
13G94.1Very high96.3Very high18 Ų1839.2 Ų39.219%0.18621%0.206CC..  trans86.89.1-178.600000113.7D10 M34D10-G13 PolarHBondContact O-N 2.83Å; D10-G13 VanDerWaalsContact O-N 3.1Å; D10-G13 PolarHBondContact OD1-N 3.34Å; G13-M34 VanDerWaalsContact CA-CE 3.42Å
14K96.6Very high96.4Very high133 Ų13341.1 Ų41.158%0.57822%0.216SC*.  trans-73.7132.4175-176.9-171.8171.4-166.80109.5L9 D10 L16L9-K14 CarbonylContact C-O 3.59Å; L9-K14 WeakPolarHBondContact CA-O 3.3Å; D10-K14 PolarHBondContact N-O 3Å; D10-K14 WeakPolarHBondContact OD1-CB 3.24Å; D10-K14 PolarHBondContact OD1-N 2.92Å; D10-K14 WeakPolarHBondContact OD2-CB 3.47Å; K14-L16 PolarHBondContact O-N 3.15Å
15V97.9Very high96.4Very high48 Ų4841.5 Ų41.529%0.29122%0.219SC..EExtended strand (participates in β ladder)trans-66.8116.7174.3-174.90000110.2F7 L9 C18 I30F7-V15 HydrophobicContact CD1-CG1 4.14Å; F7-V15 HydrophobicContact CD1-CG2 4.2Å; L9-V15 HydrophobicContact CD2-CB 4.05Å; L9-V15 HydrophobicContact CD2-CG1 4.42Å; L9-V15 HydrophobicContact CD2-CG2 3.59Å; V15-C18 HydrophobicContact CG1-CB 3.87Å; V15-I30 HydrophobicContact CG2-CG1 4.31Å; V15-I30 HydrophobicContact CG2-CG2 3.87Å
16L97.2Very high96.3Very high36 Ų3646.8 Ų46.819%0.18825%0.247CC..EExtended strand (participates in β ladder)trans-83.7-45.7172-62176.7000110.7V8 D10 K14 L65 E100 I103V8-L16 WeakPolarHBondContact O-CB 3.39Å; V8-L16 PolarHBondContact O-N 2.77Å; D10-L16 HydrophobicContact CB-CD1 4.34Å; D10-L16 HydrophobicContact CB-CD2 4.27Å; D10-L16 HydrophobicContact CB-CG 4.33Å; K14-L16 PolarHBondContact O-N 3.15Å; L16-L65 HydrophobicContact CD1-CD2 3.42Å; L16-L65 VanDerWaalsContact CD1-CD2 3.42Å; L16-E100 HydrophobicContact CD1-CB 4.21Å; L16-E100 HydrophobicContact CD1-CG 3.83Å; L16-E100 HydrophobicContact CD2-CG 3.9Å; L16-I103 HydrophobicContact CB-CG2 4.04Å
17I97.6Very high96.3Very high6 Ų648.9 Ų48.93%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-150.7150.9173.8-161.6176.4000109.4V8 I103 V110 Y111 L114V8-I17 HydrophobicContact CB-CG2 3.84Å; V8-I17 HydrophobicContact CG2-CG2 3.68Å; V8-I17 PolarHBondContact N-O 3.21Å; V8-I17 PolarHBondContact O-N 2.81Å; I17-I103 HydrophobicContact CB-CG2 4.21Å; I17-I103 HydrophobicContact CG2-CG2 3.94Å; I17-V110 HydrophobicContact CD1-CB 3.9Å; I17-V110 HydrophobicContact CD1-CG1 3.56Å; I17-V110 HydrophobicContact CG2-CG1 4.18Å; I17-Y111 HydrophobicContact CD1-CD1 4.1Å; I17-Y111 HydrophobicContact CD1-CD2 3.67Å; I17-Y111 HydrophobicContact CD1-CE1 4.06Å; I17-Y111 HydrophobicContact CD1-CE2 3.61Å; I17-Y111 HydrophobicContact CD1-CG 3.9Å; I17-Y111 HydrophobicContact CG1-CD1 4.45Å; I17-Y111 HydrophobicContact CG1-CD2 4.29Å; I17-Y111 HydrophobicContact CG1-CE1 3.91Å; I17-Y111 HydrophobicContact CG1-CE2 3.72Å; I17-Y111 VanDerWaalsContact CG1-CZ 3.5Å; I17-L114 HydrophobicContact CD1-CD1 4.29Å; I17-L114 HydrophobicContact CG2-CD1 4.47Å
18C97.1Very high96.2Very high37 Ų3751 Ų5125%0.2528%0.276CS..EExtended strand (participates in β ladder)trans-143.2151.1173.867.10000111.2I6 F7 V15 M27 Y111I6-C18 CarbonylContact O-C 3.54Å; I6-C18 VanDerWaalsContact O-CA 3.29Å; I6-C18 WeakPolarHBondContact O-CA 3.38Å; F7-C18 HydrophobicContact CD1-CB 3.35Å; F7-C18 HydrophobicContact CE1-CB 3.68Å; F7-C18 HydrophobicContact CG-CB 4.07Å; V15-C18 HydrophobicContact CG1-CB 3.87Å; C18-M27 HydrophobicContact CB-CE 3.68Å; C18-M27 WeakPolarHBondContact SG-CE 3.33Å; C18-Y111 WeakPolarHBondContact O-CE1 3.36Å
19R97.5Very high96.1Very high87 Ų8753 Ų5333%0.32828%0.284SS..EExtended strand (participates in β ladder)trans-133.9122.5173.5-174.855173160.9-11.9110.5A5 I6 Y21 L114 D115A5-R19 CarbonylContact C-O 3.59Å; A5-R19 WeakPolarHBondContact CA-O 3.4Å; A5-R19 WeakPolarHBondContact CB-O 3.17Å; I6-R19 PolarHBondContact N-O 3.11Å; I6-R19 PolarHBondContact O-N 2.83Å; R19-Y21 HydrophobicContact CB-CE2 4.08Å; R19-Y21 HydrophobicContact CG-CD1 4.19Å; R19-Y21 HydrophobicContact CG-CD2 4.41Å; R19-Y21 HydrophobicContact CG-CE1 3.63Å; R19-Y21 HydrophobicContact CG-CE2 3.88Å; R19-Y21 VanDerWaalsContact CG-CZ 3.48Å; R19-L114 HydrophobicContact CB-CB 4.2Å; R19-L114 HydrophobicContact CB-CD1 4Å; R19-L114 HydrophobicContact CG-CB 4.27Å; R19-D115 IonicContact CZ-OD1 3.65Å; R19-D115 IonicContact CZ-OD2 3.69Å; R19-D115 IonicContact NE-OD1 3.8Å; R19-D115 PolarHBondContact NE-OD1 2.81Å; R19-D115 IonicContact NH2-OD1 2.79Å; R19-D115 PolarHBondContact NH2-OD1 3.42Å; R19-D115 IonicContact NH2-OD2 3.38Å; R19-D115 PolarHBondContact NH2-OD2 3.07Å; R19-D115 VanDerWaalsContact NH2-OD2 3.09Å
20N97.2Very high96.1Very high53 Ų5353.4 Ų53.428%0.28329%0.286SS..EExtended strand (participates in β ladder)trans-95.2120.1174-167.8-9.6000110S4 A5 K22 G23 M27S4-N20 PolarHBondContact O-OD1 3.45Å; A5-N20 HydrophobicContact CB-CB 4.46Å; N20-K22 PolarHBondContact OD1-N 2.89Å; N20-G23 WeakPolarHBondContact OD1-CA 3.38Å; N20-G23 PolarHBondContact OD1-N 3.15Å; N20-M27 HydrophobicContact CB-CE 4.11Å; N20-M27 HydrophobicContact CB-SD 3.68Å
21Y96.4Very high96.1Very high24 Ų2458.1 Ų58.19%0.09431%0.312CS..SBendtrans-100.2-26-178.1-62.7-78.1000113.4S4 I6 R19 L114 M118 F120S4-Y21 WeakPolarHBondContact O-CA 3.45Å; S4-Y21 WeakPolarHBondContact O-CB 3.48Å; S4-Y21 PolarHBondContact O-N 3.11Å; I6-Y21 HydrophobicContact CB-CE2 4.11Å; I6-Y21 HydrophobicContact CD1-CE2 3.8Å; I6-Y21 HydrophobicContact CG1-CD2 4.49Å; I6-Y21 HydrophobicContact CG1-CE2 3.84Å; R19-Y21 HydrophobicContact CB-CE2 4.08Å; R19-Y21 HydrophobicContact CG-CD1 4.19Å; R19-Y21 HydrophobicContact CG-CD2 4.41Å; R19-Y21 HydrophobicContact CG-CE1 3.63Å; R19-Y21 HydrophobicContact CG-CE2 3.88Å; R19-Y21 VanDerWaalsContact CG-CZ 3.48Å; Y21-L114 WeakPolarHBondContact CE1-O 3.12Å; Y21-L114 PolarHBondContact OH-O 2.89Å; Y21-M118 HydrophobicContact CD1-CB 4.31Å; Y21-M118 HydrophobicContact CD1-CG 3.91Å; Y21-M118 WeakPolarHBondContact CD1-O 3.11Å; Y21-M118 HydrophobicContact CD1-SD 4.35Å; Y21-M118 HydrophobicContact CD2-CG 4.32Å; Y21-M118 HydrophobicContact CD2-SD 3.68Å; Y21-M118 HydrophobicContact CE1-CB 3.75Å; Y21-M118 HydrophobicContact CE1-CG 3.84Å; Y21-M118 WeakPolarHBondContact CE1-O 3.34Å; Y21-M118 HydrophobicContact CE1-SD 4.33Å; Y21-M118 HydrophobicContact CE2-CB 4.49Å; Y21-M118 HydrophobicContact CE2-CG 4.25Å; Y21-M118 HydrophobicContact CE2-SD 3.64Å; Y21-M118 HydrophobicContact CG-CG 4.14Å; Y21-M118 HydrophobicContact CG-SD 4.03Å; Y21-F120 WeakPolarHBondContact O-CD2 3.29Å
22K93.9Very high96.1Very high30 Ų3057.4 Ų57.413%0.1331%0.306CS..SBendtrans-122.4-27.2-173-67.6-173.2-176.7143.50115.1A3 S4 N20 D24 F120A3-K22 VanDerWaalsContact O-CE 3.22Å; A3-K22 WeakPolarHBondContact O-CE 3.45Å; A3-K22 PolarHBondContact O-NZ 2.81Å; S4-K22 PolarHBondContact O-N 3.18Å; N20-K22 PolarHBondContact OD1-N 2.89Å; K22-D24 HydrophobicContact CB-CB 4.47Å; K22-D24 WeakPolarHBondContact CB-OD1 3.22Å; K22-D24 PolarHBondContact O-N 2.49Å; K22-F120 HydrophobicContact CB-CE2 4.24Å; K22-F120 WeakPolarHBondContact CE-O 3.5Å; K22-F120 HydrophobicContact CG-CD2 3.94Å; K22-F120 HydrophobicContact CG-CE2 3.91Å; K22-F120 HydrophobicContact CG-CG 4.38Å; K22-F120 HydrophobicContact CG-CZ 4.33Å
23G93Very high96.3Very high56 Ų5648.8 Ų48.858%0.57727%0.268SS*.SBendtrans67.913.9-172.700000114.6N20N20-G23 WeakPolarHBondContact OD1-CA 3.38Å; N20-G23 PolarHBondContact OD1-N 3.15Å
24D93.3Very high96.4Very high42 Ų4249.1 Ų49.123%0.22527%0.265CS..  trans-92.3-5.3-179.463.9-3.6000114.2S4 K22 N72 K73S4-D24 WeakPolarHBondContact CB-OD1 3.49Å; S4-D24 PolarHBondContact OG-OD1 3.1Å; K22-D24 HydrophobicContact CB-CB 4.47Å; K22-D24 WeakPolarHBondContact CB-OD1 3.22Å; K22-D24 PolarHBondContact O-N 2.49Å; D24-N72 PolarHBondContact O-ND2 3.2Å; D24-N72 PolarHBondContact OD2-OD1 2.82Å; D24-K73 IonicContact OD2-NZ 2.7Å; D24-K73 PolarHBondContact OD2-NZ 3.26Å
25V95.1Very high96.4Very high9 Ų946.5 Ų46.56%0.05526%0.262CS..SBendtrans-124.8134.5172-179.80000107.8S4 M27 E29 V55 N72S4-V25 WeakPolarHBondContact OG-CG2 3.42Å; S4-V25 PolarHBondContact OG-N 3.12Å; V25-M27 PolarHBondContact O-N 2.85Å; V25-E29 HydrophobicContact CG1-CB 4.29Å; V25-E29 HydrophobicContact CG1-CG 4.26Å; V25-V55 HydrophobicContact CG1-CG1 3.78Å; V25-V55 HydrophobicContact CG1-CG2 3.98Å; V25-N72 HydrophobicContact CG2-CB 3.9Å
26D96.3Very high96.3Very high110 Ų11045.6 Ų45.659%0.58826%0.255SS*.  trans-66132.7173.5-169.1-14.2000109.3A28 E29D26-A28 PolarHBondContact O-N 2.85Å; D26-A28 PolarHBondContact OD1-N 2.88Å; D26-A28 VanDerWaalsContact OD1-N 3.1Å; D26-E29 HydrophobicContact CB-CG 4.29Å; D26-E29 WeakPolarHBondContact O-CB 3.22Å; D26-E29 WeakPolarHBondContact O-CG 3.11Å; D26-E29 PolarHBondContact O-N 3.46Å; D26-E29 VanDerWaalsContact O-N 3.14Å
27M96.2Very high96.3Very high47 Ų4744.1 Ų44.123%0.23225%0.248CC..G310 helixtrans-65.5-24-179.3-61.7-63-75.900111.8A5 F7 C18 N20 V25 E29 I30A5-M27 HydrophobicContact CB-CE 4.08Å; A5-M27 HydrophobicContact CB-SD 3.61Å; F7-M27 HydrophobicContact CD1-CE 4.33Å; F7-M27 HydrophobicContact CE1-CE 3.39Å; F7-M27 HydrophobicContact CE1-SD 4.23Å; F7-M27 HydrophobicContact CE2-CE 4.23Å; F7-M27 HydrophobicContact CE2-SD 4.42Å; F7-M27 HydrophobicContact CZ-CB 4.39Å; F7-M27 HydrophobicContact CZ-CE 3.32Å; F7-M27 HydrophobicContact CZ-SD 3.61Å; C18-M27 HydrophobicContact CB-CE 3.68Å; C18-M27 WeakPolarHBondContact SG-CE 3.33Å; N20-M27 HydrophobicContact CB-CE 4.11Å; N20-M27 HydrophobicContact CB-SD 3.68Å; V25-M27 PolarHBondContact O-N 2.85Å; M27-E29 PolarHBondContact O-N 2.99Å; M27-I30 WeakPolarHBondContact O-CG2 2.84Å; M27-I30 PolarHBondContact O-N 3.38Å
28A96.4Very high96.2Very high49 Ų4948.4 Ų48.441%0.40527%0.269SS..G310 helixtrans-67.6-17.2175.800000113.6D26 I30 D31D26-A28 PolarHBondContact O-N 2.85Å; D26-A28 PolarHBondContact OD1-N 2.88Å; D26-A28 VanDerWaalsContact OD1-N 3.1Å; A28-I30 PolarHBondContact O-N 2.99Å; A28-I30 VanDerWaalsContact O-N 3.13Å; A28-D31 PolarHBondContact O-N 3.14Å; A28-D31 VanDerWaalsContact O-N 3.15Å
29E96.9Very high96.1Very high44 Ų4450.9 Ų50.921%0.20628%0.277CS..G310 helixtrans-60.6-24176.8-71.6-68.8152.700112.6V25 D26 M27 D31 H32 H52 V55 F57V25-E29 HydrophobicContact CG1-CB 4.29Å; V25-E29 HydrophobicContact CG1-CG 4.26Å; D26-E29 HydrophobicContact CB-CG 4.29Å; D26-E29 WeakPolarHBondContact O-CB 3.22Å; D26-E29 WeakPolarHBondContact O-CG 3.11Å; D26-E29 PolarHBondContact O-N 3.46Å; D26-E29 VanDerWaalsContact O-N 3.14Å; M27-E29 PolarHBondContact O-N 2.99Å; E29-D31 PolarHBondContact O-N 2.91Å; E29-H32 PolarHBondContact O-N 2.85Å; E29-H32 VanDerWaalsContact O-N 3.16Å; E29-H32 PolarHBondContact O-ND1 3.16Å; E29-H32 IonicContact OE2-ND1 3.65Å; E29-H52 IonicContact OE2-CE1 3.57Å; E29-H52 IonicContact OE2-CG 3.86Å; E29-H52 IonicContact OE2-ND1 2.82Å; E29-H52 PolarHBondContact OE2-ND1 3Å; E29-V55 HydrophobicContact CB-CG1 4.43Å; E29-V55 HydrophobicContact CG-CG2 4.12Å; E29-F57 HydrophobicContact CB-CZ 4.36Å; E29-F57 WeakPolarHBondContact O-CE1 3.37Å; E29-F57 VanDerWaalsContact O-CZ 3.29Å; E29-F57 WeakPolarHBondContact O-CZ 3.5Å
30I97.7Very high95.9Very high9 Ų949.1 Ų49.15%0.04627%0.272CS..G310 helixtrans-59.9-25.9177.6-162.560.2000113.1F7 L9 V15 M27 A28 H32 F33 F57 V68F7-I30 HydrophobicContact CB-CD1 4.06Å; F7-I30 HydrophobicContact CB-CG1 4.28Å; F7-I30 HydrophobicContact CD1-CB 4.04Å; F7-I30 HydrophobicContact CD1-CD1 4.18Å; F7-I30 HydrophobicContact CD1-CG1 3.7Å; F7-I30 HydrophobicContact CD1-CG2 4.21Å; F7-I30 HydrophobicContact CD2-CD1 3.82Å; F7-I30 HydrophobicContact CD2-CG1 4.24Å; F7-I30 HydrophobicContact CE1-CB 3.8Å; F7-I30 HydrophobicContact CE1-CG1 4.01Å; F7-I30 HydrophobicContact CE1-CG2 3.87Å; F7-I30 HydrophobicContact CE2-CB 4.45Å; F7-I30 HydrophobicContact CE2-CD1 4.29Å; F7-I30 HydrophobicContact CG-CB 4.46Å; F7-I30 HydrophobicContact CG-CD1 3.77Å; F7-I30 HydrophobicContact CG-CG1 3.83Å; F7-I30 HydrophobicContact CZ-CB 4.02Å; F7-I30 HydrophobicContact CZ-CG1 4.42Å; F7-I30 HydrophobicContact CZ-CG2 4.46Å; L9-I30 HydrophobicContact CD1-CD1 4.16Å; L9-I30 HydrophobicContact CD1-CG1 4.29Å; L9-I30 HydrophobicContact CD2-CD1 4.43Å; L9-I30 HydrophobicContact CD2-CG1 3.99Å; V15-I30 HydrophobicContact CG2-CG1 4.31Å; V15-I30 HydrophobicContact CG2-CG2 3.87Å; M27-I30 WeakPolarHBondContact O-CG2 2.84Å; M27-I30 PolarHBondContact O-N 3.38Å; A28-I30 PolarHBondContact O-N 2.99Å; A28-I30 VanDerWaalsContact O-N 3.13Å; I30-H32 PolarHBondContact O-N 2.77Å; I30-F33 HydrophobicContact CD1-CB 4.12Å; I30-F33 VanDerWaalsContact O-CB 3.23Å; I30-F33 WeakPolarHBondContact O-CB 3.26Å; I30-F33 PolarHBondContact O-N 2.81Å; I30-F57 HydrophobicContact CD1-CD1 4.47Å; I30-V68 HydrophobicContact CD1-CB 4.16Å; I30-V68 HydrophobicContact CD1-CG1 3.96Å
31D96.7Very high95.7Very high111 Ų11152.6 Ų52.659%0.59429%0.287SS*.G310 helixtrans-65.9-21.2-179.7-66.7-22.5000112.4A28 E29 P35A28-D31 PolarHBondContact O-N 3.14Å; A28-D31 VanDerWaalsContact O-N 3.15Å; E29-D31 PolarHBondContact O-N 2.91Å; D31-P35 VanDerWaalsContact O-CD 3.3Å; D31-P35 WeakPolarHBondContact O-CD 3.32Å
32H97.1Very high95.6Very high75 Ų7559.2 Ų59.235%0.34732%0.318SS..G310 helixtrans-82.9-16.1175.6-57.891.3000113.1E29 I30 P35 L36 H52E29-H32 PolarHBondContact O-N 2.85Å; E29-H32 VanDerWaalsContact O-N 3.16Å; E29-H32 PolarHBondContact O-ND1 3.16Å; E29-H32 IonicContact OE2-ND1 3.65Å; I30-H32 PolarHBondContact O-N 2.77Å; H32-P35 WeakPolarHBondContact O-CD 3.49Å; H32-L36 HydrophobicContact CB-CD1 4.28Å; H32-L36 WeakPolarHBondContact O-CB 3.4Å; H32-L36 WeakPolarHBondContact O-CD1 2.92Å; H32-L36 VanDerWaalsContact O-CG 3.22Å; H32-L36 WeakPolarHBondContact O-CG 3.45Å; H32-L36 PolarHBondContact O-N 3.09Å; H32-H52 HydrophobicContact CB-CB 4.48Å; H32-H52 AromaticContact CD2-CE1 3.51Å; H32-H52 AromaticContact CD2-NE2 3.56Å; H32-H52 AromaticContact CE1-CE1 3.63Å; H32-H52 AromaticContact CG-CE1 3.65Å; H32-H52 AromaticContact CG-ND1 3.74Å; H32-H52 AromaticContact CG-NE2 3.98Å; H32-H52 AromaticContact ND1-CE1 3.72Å; H32-H52 AromaticContact ND1-ND1 3.77Å; H32-H52 AromaticContact NE2-CE1 3.51Å; H32-H52 AromaticContact NE2-NE2 3.87Å
33F97.8Very high95.7Very high0 Ų062.9 Ų62.90%034%0.336CS..Hα-helixtrans-61.6-53-174.1169.3-105000112.6L9 I30 L36 L37 L50 F57 W59 Y66 V68L9-F33 HydrophobicContact CD1-CD1 3.49Å; L9-F33 VanDerWaalsContact CD1-CD1 3.49Å; L9-F33 HydrophobicContact CD1-CE1 3.84Å; L9-F33 HydrophobicContact CD1-CG 4.5Å; I30-F33 HydrophobicContact CD1-CB 4.12Å; I30-F33 VanDerWaalsContact O-CB 3.23Å; I30-F33 WeakPolarHBondContact O-CB 3.26Å; I30-F33 PolarHBondContact O-N 2.81Å; F33-L36 PolarHBondContact O-N 3Å; F33-L37 HydrophobicContact CE1-CD2 4.21Å; F33-L37 HydrophobicContact CZ-CD2 4.07Å; F33-L37 WeakPolarHBondContact O-CB 3.46Å; F33-L37 PolarHBondContact O-N 2.82Å; F33-L50 HydrophobicContact CD2-CD1 4.01Å; F33-L50 HydrophobicContact CE2-CD1 3.85Å; F33-F57 HydrophobicContact CB-CD1 4.12Å; F33-F57 HydrophobicContact CB-CE1 4.27Å; F33-F57 HydrophobicContact CD2-CB 3.79Å; F33-F57 HydrophobicContact CD2-CD1 4.22Å; F33-F57 AromaticContact CD2-CG 4Å; F33-F57 HydrophobicContact CD2-CG 4Å; F33-F57 HydrophobicContact CE2-CB 4.28Å; F33-W59 HydrophobicContact CE2-CB 3.79Å; F33-W59 AromaticContact CE2-CD1 3.57Å; F33-W59 HydrophobicContact CE2-CD2 4.22Å; F33-W59 AromaticContact CE2-CG 3.56Å; F33-W59 HydrophobicContact CE2-CG 3.56Å; F33-W59 HydrophobicContact CZ-CB 3.78Å; F33-W59 AromaticContact CZ-CD2 3.95Å; F33-W59 HydrophobicContact CZ-CD2 3.95Å; F33-W59 HydrophobicContact CZ-CE3 4.44Å; F33-W59 AromaticContact CZ-CG 3.64Å; F33-W59 HydrophobicContact CZ-CG 3.64Å; F33-Y66 HydrophobicContact CE1-CD1 4.4Å; F33-Y66 HydrophobicContact CE1-CG 4.29Å; F33-Y66 HydrophobicContact CZ-CD1 4.38Å; F33-V68 HydrophobicContact CD1-CG2 4.02Å; F33-V68 HydrophobicContact CD2-CG1 4.13Å; F33-V68 HydrophobicContact CD2-CG2 4.4Å; F33-V68 HydrophobicContact CE1-CG2 3.66Å; F33-V68 HydrophobicContact CE2-CG1 4.24Å; F33-V68 HydrophobicContact CE2-CG2 4.08Å; F33-V68 HydrophobicContact CG-CG1 4.46Å; F33-V68 HydrophobicContact CG-CG2 4.38Å; F33-V68 HydrophobicContact CZ-CG2 3.69Å
34M96.9Very high95.6Very high25 Ų2563.3 Ų63.312%0.12334%0.34CS..Hα-helixtrans-67.5-44.3-175.2-172.862.48700112.6L11 G13 L36 L37 M38 Y66L11-M34 WeakPolarHBondContact O-CE 3.37Å; G13-M34 VanDerWaalsContact CA-CE 3.42Å; M34-L36 VanDerWaalsContact C-N 3.33Å; M34-L36 PolarHBondContact O-N 2.95Å; M34-L37 WeakPolarHBondContact O-CB 3.37Å; M34-L37 PolarHBondContact O-N 3.21Å; M34-L37 HydrophobicContact SD-CD2 3.97Å; M34-M38 HydrophobicContact CG-SD 4.33Å; M34-M38 WeakPolarHBondContact O-CG 3.42Å; M34-M38 PolarHBondContact O-N 2.66Å; M34-M38 HydrophobicContact SD-CG 4.41Å; M34-Y66 HydrophobicContact CE-CD2 3.99Å; M34-Y66 HydrophobicContact CE-CE2 3.67Å
35P96.5Very high95.6Very high79 Ų7966.3 Ų66.351%0.51336%0.356SS..Hα-helixtrans-56.5-43.9172.8-26.735.1000113.5D31 H32 M38 Q39D31-P35 VanDerWaalsContact O-CD 3.3Å; D31-P35 WeakPolarHBondContact O-CD 3.32Å; H32-P35 WeakPolarHBondContact O-CD 3.49Å; P35-M38 PolarHBondContact O-N 2.68Å; P35-Q39 WeakPolarHBondContact O-CB 3.43Å; P35-Q39 PolarHBondContact O-N 2.86Å
36L96.4Very high95.5Very high28 Ų2870.2 Ų70.215%0.14738%0.376CS..Hα-helixtrans-65.3-40.2177.5-73.5170.8000112.1H32 F33 M34 Q39 H40 L50 H52 F57H32-L36 HydrophobicContact CB-CD1 4.28Å; H32-L36 WeakPolarHBondContact O-CB 3.4Å; H32-L36 WeakPolarHBondContact O-CD1 2.92Å; H32-L36 VanDerWaalsContact O-CG 3.22Å; H32-L36 WeakPolarHBondContact O-CG 3.45Å; H32-L36 PolarHBondContact O-N 3.09Å; F33-L36 PolarHBondContact O-N 3Å; M34-L36 VanDerWaalsContact C-N 3.33Å; M34-L36 PolarHBondContact O-N 2.95Å; L36-Q39 PolarHBondContact O-N 2.82Å; L36-H40 WeakPolarHBondContact O-CB 3.08Å; L36-H40 PolarHBondContact O-CD2 3.19Å; L36-H40 PolarHBondContact O-N 3.32Å; L36-L50 HydrophobicContact CB-CD1 4.32Å; L36-H52 HydrophobicContact CD1-CB 3.86Å; L36-F57 HydrophobicContact CD1-CE2 4.36Å
37L96.4Very high95.4Very high5 Ų566.9 Ų66.93%0.02636%0.361CS..Hα-helixtrans-60.7-47.5177.1-177.768.3000111.1F33 M34 H40 E41 L46 L50 W59 Y66F33-L37 HydrophobicContact CE1-CD2 4.21Å; F33-L37 HydrophobicContact CZ-CD2 4.07Å; F33-L37 WeakPolarHBondContact O-CB 3.46Å; F33-L37 PolarHBondContact O-N 2.82Å; M34-L37 WeakPolarHBondContact O-CB 3.37Å; M34-L37 PolarHBondContact O-N 3.21Å; M34-L37 HydrophobicContact SD-CD2 3.97Å; L37-H40 PolarHBondContact O-N 2.85Å; L37-E41 WeakPolarHBondContact O-CB 3.42Å; L37-E41 PolarHBondContact O-N 2.82Å; L37-L46 HydrophobicContact CD1-CD1 3.5Å; L37-L50 HydrophobicContact CB-CD1 3.86Å; L37-L50 HydrophobicContact CD1-CD1 4Å; L37-W59 HydrophobicContact CD1-CD2 4.47Å; L37-W59 HydrophobicContact CD1-CH2 3.73Å; L37-W59 HydrophobicContact CD1-CZ2 3.24Å; L37-Y66 HydrophobicContact CD2-CD1 4.47Å; L37-Y66 HydrophobicContact CD2-CE1 3.78Å
38M95Very high95.3Very high96 Ų9668.4 Ų68.447%0.47338%0.375SS..Hα-helixtrans-63.3-45.2178.5-68.7-179.669.800111.6M34 P35 H40 E41 E42M34-M38 HydrophobicContact CG-SD 4.33Å; M34-M38 WeakPolarHBondContact O-CG 3.42Å; M34-M38 PolarHBondContact O-N 2.66Å; M34-M38 HydrophobicContact SD-CG 4.41Å; P35-M38 PolarHBondContact O-N 2.68Å; M38-H40 PolarHBondContact O-N 2.85Å; M38-E41 PolarHBondContact O-N 2.78Å; M38-E42 WeakPolarHBondContact O-CG 3.16Å; M38-E42 PolarHBondContact O-N 2.81Å
39Q95.1Very high95.3Very high90 Ų9068.5 Ų68.542%0.42137%0.37SS..Hα-helixtrans-58.1-47.7176.5-177-174.1-8.400111.5P35 L36 E41 E42 E43P35-Q39 WeakPolarHBondContact O-CB 3.43Å; P35-Q39 PolarHBondContact O-N 2.86Å; L36-Q39 PolarHBondContact O-N 2.82Å; Q39-E41 VanDerWaalsContact C-N 3.31Å; Q39-E41 PolarHBondContact O-N 2.81Å; Q39-E42 PolarHBondContact O-N 2.97Å; Q39-E43 WeakPolarHBondContact CG-OE1 3.48Å; Q39-E43 PolarHBondContact NE2-OE1 2.88Å; Q39-E43 WeakPolarHBondContact O-CB 3.37Å; Q39-E43 WeakPolarHBondContact O-CG 3.36Å; Q39-E43 PolarHBondContact O-N 3.32Å
40H93.8Very high95.3Very high49 Ų4966.5 Ų66.523%0.22736%0.361CS..Hα-helixtrans-66.2-33178.9-82.7-126.5000112.7L36 L37 M38 G44 L45 L46 L50L36-H40 WeakPolarHBondContact O-CB 3.08Å; L36-H40 PolarHBondContact O-CD2 3.19Å; L36-H40 PolarHBondContact O-N 3.32Å; L37-H40 PolarHBondContact O-N 2.85Å; M38-H40 PolarHBondContact O-N 2.85Å; H40-G44 PolarHBondContact O-N 2.82Å; H40-G44 VanDerWaalsContact O-N 3.14Å; H40-L45 PolarHBondContact ND1-O 3.33Å; H40-L45 VanDerWaalsContact ND1-O 3.16Å; H40-L45 CarbonylContact O-C 3.49Å; H40-L45 WeakPolarHBondContact O-CA 3.44Å; H40-L45 PolarHBondContact O-N 3.14Å; H40-L46 PolarHBondContact O-N 3.11Å; H40-L50 HydrophobicContact CB-CD2 4.44Å
41E93.7Very high95.2Very high127 Ų12769 Ų6959%0.59338%0.379SS*.Hα-helixtrans-66.6-44.9174.9-173.2170.5-14700111.2L37 M38 Q39 E43 G44L37-E41 WeakPolarHBondContact O-CB 3.42Å; L37-E41 PolarHBondContact O-N 2.82Å; M38-E41 PolarHBondContact O-N 2.78Å; Q39-E41 VanDerWaalsContact C-N 3.31Å; Q39-E41 PolarHBondContact O-N 2.81Å; E41-E43 VanDerWaalsContact C-N 3.34Å; E41-E43 PolarHBondContact O-N 2.77Å; E41-G44 PolarHBondContact O-N 2.8Å; E41-G44 VanDerWaalsContact O-N 3.11Å
42E94.3Very high95.2Very high162 Ų16266.7 Ų66.776%0.75736%0.364SS*.Hα-helixtrans-63-38.1176.2-71.8177.5-174.700112.5M38 Q39 G44M38-E42 WeakPolarHBondContact O-CG 3.16Å; M38-E42 PolarHBondContact O-N 2.81Å; Q39-E42 PolarHBondContact O-N 2.97Å; E42-G44 VanDerWaalsContact C-N 3.25Å; E42-G44 PolarHBondContact O-N 2.9Å
43E94.4Very high95Very high108 Ų10866.8 Ų66.851%0.50539%0.386SS..THydrogen-bonded Turntrans-78.2-7.2176.4-68176.1-166.800113.2Q39 E41 L45Q39-E43 WeakPolarHBondContact CG-OE1 3.48Å; Q39-E43 PolarHBondContact NE2-OE1 2.88Å; Q39-E43 WeakPolarHBondContact O-CB 3.37Å; Q39-E43 WeakPolarHBondContact O-CG 3.36Å; Q39-E43 PolarHBondContact O-N 3.32Å; E41-E43 VanDerWaalsContact C-N 3.34Å; E41-E43 PolarHBondContact O-N 2.77Å; E43-L45 HydrophobicContact CB-CB 4.44Å; E43-L45 HydrophobicContact CB-CD1 4.12Å; E43-L45 HydrophobicContact CB-CG 4.12Å; E43-L45 PolarHBondContact O-N 2.94Å
44G92.3Very high94.9Very high64 Ų6472 Ų7266%0.6641%0.414SS*.THydrogen-bonded Turntrans69.121.1-175.300000114H40 E41 E42H40-G44 PolarHBondContact O-N 2.82Å; H40-G44 VanDerWaalsContact O-N 3.14Å; E41-G44 PolarHBondContact O-N 2.8Å; E41-G44 VanDerWaalsContact O-N 3.11Å; E42-G44 VanDerWaalsContact C-N 3.25Å; E42-G44 PolarHBondContact O-N 2.9Å
45L93.3Very high94.9Very high105 Ų10571 Ų7155%0.5541%0.409SS..  trans-106.727.7-178.1-63.8178.8000112.4H40 E43 S47H40-L45 PolarHBondContact ND1-O 3.33Å; H40-L45 VanDerWaalsContact ND1-O 3.16Å; H40-L45 CarbonylContact O-C 3.49Å; H40-L45 WeakPolarHBondContact O-CA 3.44Å; H40-L45 PolarHBondContact O-N 3.14Å; E43-L45 HydrophobicContact CB-CB 4.44Å; E43-L45 HydrophobicContact CB-CD1 4.12Å; E43-L45 HydrophobicContact CB-CG 4.12Å; E43-L45 PolarHBondContact O-N 2.94Å; L45-S47 PolarHBondContact O-N 3.43Å
46L92.9Very high94.9Very high91 Ų9170.2 Ų70.248%0.47640%0.398SS..  trans-56.4124.8-179.1-171.567.9000110.8L37 H40 W59L37-L46 HydrophobicContact CD1-CD1 3.5Å; H40-L46 PolarHBondContact O-N 3.11Å; L46-W59 HydrophobicContact CD1-CH2 4.22Å; L46-W59 HydrophobicContact CD1-CZ2 3.83Å; L46-W59 HydrophobicContact CG-CZ2 4.37Å
47S93.6Very high94.9Very high41 Ų4168.9 Ų68.929%0.28739%0.392SS..  trans-132.9138.9-178.2170.90000110.2L45 V49 W59L45-S47 PolarHBondContact O-N 3.43Å; S47-V49 WeakPolarHBondContact CB-O 3.47Å; S47-V49 PolarHBondContact O-N 3.02Å; S47-V49 VanDerWaalsContact O-N 3.12Å; S47-V49 PolarHBondContact OG-N 3.5Å; S47-V49 PolarHBondContact OG-O 2.92Å; S47-W59 PolarHBondContact O-NE1 3.41Å
48P94.5Very high95Very high79 Ų7969.1 Ų69.151%0.51339%0.393SS..SBendtrans-59.8-19172-24.535.2000113.8W59 Y81P48-W59 PolarHBondContact O-N 2.81Å; P48-W59 VanDerWaalsContact O-N 3.14Å; P48-W59 PolarHBondContact O-NE1 2.85Å; P48-Y81 HydrophobicContact CB-CE1 4.2Å; P48-Y81 WeakPolarHBondContact CB-OH 3.36Å; P48-Y81 PolarHBondContact O-OH 2.97Å
49V96.3Very high95.1Very high51 Ų5166 Ų6631%0.30938%0.375SS..EExtended strand (participates in β ladder)trans-116.9120.4174.9-173.20000109.1S47 H56 F57 M58 Y81S47-V49 WeakPolarHBondContact CB-O 3.47Å; S47-V49 PolarHBondContact O-N 3.02Å; S47-V49 VanDerWaalsContact O-N 3.12Å; S47-V49 PolarHBondContact OG-N 3.5Å; S47-V49 PolarHBondContact OG-O 2.92Å; V49-H56 HydrophobicContact CG1-CB 4.43Å; V49-F57 WeakPolarHBondContact CA-O 3.37Å; V49-M58 HydrophobicContact CG2-CG 4.29Å; V49-Y81 HydrophobicContact CG2-CE2 4.4Å; V49-Y81 WeakPolarHBondContact CG2-OH 3.46Å
50L96.4Very high95.3Very high1 Ų162 Ų621%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-108.1159.1171.1-55.7178.3000109.6F33 L36 L37 H40 H56 F57F33-L50 HydrophobicContact CD2-CD1 4.01Å; F33-L50 HydrophobicContact CE2-CD1 3.85Å; L36-L50 HydrophobicContact CB-CD1 4.32Å; L37-L50 HydrophobicContact CB-CD1 3.86Å; L37-L50 HydrophobicContact CD1-CD1 4Å; H40-L50 HydrophobicContact CB-CD2 4.44Å; L50-H56 CarbonylContact O-C 3.48Å; L50-H56 WeakPolarHBondContact O-CA 3.49Å; L50-F57 HydrophobicContact CB-CB 4.29Å; L50-F57 HydrophobicContact CB-CD2 4.24Å; L50-F57 PolarHBondContact N-O 2.85Å; L50-F57 PolarHBondContact O-N 2.79Å
51S95.6Very high95.4Very high62 Ų6265.3 Ų65.343%0.43437%0.371SS..EExtended strand (participates in β ladder)trans-138.5136.6-179.9-58.60000111.7V55 H56S51-V55 CarbonylContact C-O 3.5Å; S51-V55 VanDerWaalsContact CA-O 3.3Å; S51-V55 WeakPolarHBondContact CA-O 3.35Å; S51-H56 PolarHBondContact OG-ND1 2.96Å
52H96.4Very high95.6Very high62 Ų6261.9 Ų61.929%0.28735%0.354SS..EExtended strand (participates in β ladder)trans-127.7109.4170.7-177-117.2000108.2E29 H32 L36 N54 V55 F57E29-H52 IonicContact OE2-CE1 3.57Å; E29-H52 IonicContact OE2-CG 3.86Å; E29-H52 IonicContact OE2-ND1 2.82Å; E29-H52 PolarHBondContact OE2-ND1 3Å; H32-H52 HydrophobicContact CB-CB 4.48Å; H32-H52 AromaticContact CD2-CE1 3.51Å; H32-H52 AromaticContact CD2-NE2 3.56Å; H32-H52 AromaticContact CE1-CE1 3.63Å; H32-H52 AromaticContact CG-CE1 3.65Å; H32-H52 AromaticContact CG-ND1 3.74Å; H32-H52 AromaticContact CG-NE2 3.98Å; H32-H52 AromaticContact ND1-CE1 3.72Å; H32-H52 AromaticContact ND1-ND1 3.77Å; H32-H52 AromaticContact NE2-CE1 3.51Å; H32-H52 AromaticContact NE2-NE2 3.87Å; L36-H52 HydrophobicContact CD1-CB 3.86Å; H52-N54 PolarHBondContact O-N 3.46Å; H52-N54 VanDerWaalsContact O-N 3.09Å; H52-V55 PolarHBondContact N-O 3.35Å; H52-V55 PolarHBondContact O-N 2.91Å; H52-F57 HydrophobicContact CB-CE2 3.69Å; H52-F57 HydrophobicContact CB-CZ 4.25Å
53G94.4Very high95.6Very high77 Ų7757.6 Ų57.679%0.79434%0.342SS*.THydrogen-bonded Turntrans57.8-115.2-173.800000112.3
54N94.3Very high95.6Very high110 Ų11054.4 Ų54.459%0.58833%0.329SS*.THydrogen-bonded Turntrans-98.74.4177.566.6-22.9000113.8H52 N72H52-N54 PolarHBondContact O-N 3.46Å; H52-N54 VanDerWaalsContact O-N 3.09Å; N54-N72 VanDerWaalsContact O-CA 3.27Å; N54-N72 WeakPolarHBondContact O-CA 3.25Å
55V96.9Very high95.8Very high5 Ų551.3 Ų51.33%0.0330%0.297CS..EExtended strand (participates in β ladder)trans-102.3134.6179.9-1780000109.6V25 E29 S51 H52 F57V25-V55 HydrophobicContact CG1-CG1 3.78Å; V25-V55 HydrophobicContact CG1-CG2 3.98Å; E29-V55 HydrophobicContact CB-CG1 4.43Å; E29-V55 HydrophobicContact CG-CG2 4.12Å; S51-V55 CarbonylContact C-O 3.5Å; S51-V55 VanDerWaalsContact CA-O 3.3Å; S51-V55 WeakPolarHBondContact CA-O 3.35Å; H52-V55 PolarHBondContact N-O 3.35Å; H52-V55 PolarHBondContact O-N 2.91Å; V55-F57 HydrophobicContact CG1-CE1 4.28Å; V55-F57 HydrophobicContact CG1-CE2 4.41Å; V55-F57 HydrophobicContact CG1-CZ 4.05Å
56H96.6Very high96.1Very high62 Ų6247.3 Ų47.329%0.28728%0.275SS..EExtended strand (participates in β ladder)trans-113.7134.2177.1-53.4-64.5000110V49 L50 S51 T70 T71V49-H56 HydrophobicContact CG1-CB 4.43Å; L50-H56 CarbonylContact O-C 3.48Å; L50-H56 WeakPolarHBondContact O-CA 3.49Å; S51-H56 PolarHBondContact OG-ND1 2.96Å; H56-T70 CarbonylContact O-C 3.48Å; H56-T70 WeakPolarHBondContact O-CA 3.42Å; H56-T71 HydrophobicContact CB-CG2 4.07Å; H56-T71 PolarHBondContact N-O 3.19Å; H56-T71 PolarHBondContact O-N 2.9Å
57F97.7Very high96.3Very high0 Ų043 Ų430%025%0.252CS..EExtended strand (participates in β ladder)trans-107.5111.1176.3-51.9-88.4000109E29 I30 F33 L36 V49 L50 H52 V55 V68 T70E29-F57 HydrophobicContact CB-CZ 4.36Å; E29-F57 WeakPolarHBondContact O-CE1 3.37Å; E29-F57 VanDerWaalsContact O-CZ 3.29Å; E29-F57 WeakPolarHBondContact O-CZ 3.5Å; I30-F57 HydrophobicContact CD1-CD1 4.47Å; F33-F57 HydrophobicContact CB-CD1 4.12Å; F33-F57 HydrophobicContact CB-CE1 4.27Å; F33-F57 HydrophobicContact CD2-CB 3.79Å; F33-F57 HydrophobicContact CD2-CD1 4.22Å; F33-F57 AromaticContact CD2-CG 4Å; F33-F57 HydrophobicContact CD2-CG 4Å; F33-F57 HydrophobicContact CE2-CB 4.28Å; L36-F57 HydrophobicContact CD1-CE2 4.36Å; V49-F57 WeakPolarHBondContact CA-O 3.37Å; L50-F57 HydrophobicContact CB-CB 4.29Å; L50-F57 HydrophobicContact CB-CD2 4.24Å; L50-F57 PolarHBondContact N-O 2.85Å; L50-F57 PolarHBondContact O-N 2.79Å; H52-F57 HydrophobicContact CB-CE2 3.69Å; H52-F57 HydrophobicContact CB-CZ 4.25Å; V55-F57 HydrophobicContact CG1-CE1 4.28Å; V55-F57 HydrophobicContact CG1-CE2 4.41Å; V55-F57 HydrophobicContact CG1-CZ 4.05Å; F57-V68 HydrophobicContact CB-CG1 4Å; F57-V68 HydrophobicContact CD1-CG1 4.08Å; F57-T70 HydrophobicContact CD1-CG2 3.7Å; F57-T70 HydrophobicContact CE1-CG2 3.88Å
58M97.9Very high96.6Very high10 Ų1041 Ų415%0.04924%0.239CC..EExtended strand (participates in β ladder)trans-99.4118.4172.5-59.1176.4-165.800107.8V49 A69 T71 A77 V80 Y81V49-M58 HydrophobicContact CG2-CG 4.29Å; M58-A69 PolarHBondContact N-O 2.92Å; M58-A69 PolarHBondContact O-N 2.84Å; M58-T71 HydrophobicContact CE-CG2 3.63Å; M58-A77 HydrophobicContact CE-CB 4.34Å; M58-A77 HydrophobicContact SD-CB 4.18Å; M58-V80 HydrophobicContact CB-CG1 3.94Å; M58-V80 HydrophobicContact CG-CG1 4.44Å; M58-V80 HydrophobicContact SD-CB 3.64Å; M58-V80 HydrophobicContact SD-CG1 3.68Å; M58-V80 HydrophobicContact SD-CG2 3.8Å; M58-Y81 HydrophobicContact CB-CE1 4.34Å
59W97.8Very high96.7Very high30 Ų3037.4 Ų37.411%0.11422%0.215CC..EExtended strand (participates in β ladder)trans-133.9152-169.666.7-82.6000113.2F33 L37 L46 S47 P48 K61 Y66 L67 V68F33-W59 HydrophobicContact CE2-CB 3.79Å; F33-W59 AromaticContact CE2-CD1 3.57Å; F33-W59 HydrophobicContact CE2-CD2 4.22Å; F33-W59 AromaticContact CE2-CG 3.56Å; F33-W59 HydrophobicContact CE2-CG 3.56Å; F33-W59 HydrophobicContact CZ-CB 3.78Å; F33-W59 AromaticContact CZ-CD2 3.95Å; F33-W59 HydrophobicContact CZ-CD2 3.95Å; F33-W59 HydrophobicContact CZ-CE3 4.44Å; F33-W59 AromaticContact CZ-CG 3.64Å; F33-W59 HydrophobicContact CZ-CG 3.64Å; L37-W59 HydrophobicContact CD1-CD2 4.47Å; L37-W59 HydrophobicContact CD1-CH2 3.73Å; L37-W59 HydrophobicContact CD1-CZ2 3.24Å; L46-W59 HydrophobicContact CD1-CH2 4.22Å; L46-W59 HydrophobicContact CD1-CZ2 3.83Å; L46-W59 HydrophobicContact CG-CZ2 4.37Å; S47-W59 PolarHBondContact O-NE1 3.41Å; P48-W59 PolarHBondContact O-N 2.81Å; P48-W59 VanDerWaalsContact O-N 3.14Å; P48-W59 PolarHBondContact O-NE1 2.85Å; W59-K61 HydrophobicContact CZ3-CB 4.07Å; W59-Y66 AromaticContact CE3-CD1 3.66Å; W59-Y66 HydrophobicContact CE3-CD1 3.66Å; W59-Y66 AromaticContact CE3-CE1 3.87Å; W59-Y66 HydrophobicContact CE3-CE1 3.87Å; W59-Y66 HydrophobicContact CH2-CE1 4.44Å; W59-Y66 AromaticContact CZ3-CD1 3.88Å; W59-Y66 HydrophobicContact CZ3-CD1 3.88Å; W59-Y66 AromaticContact CZ3-CE1 3.6Å; W59-Y66 HydrophobicContact CZ3-CE1 3.6Å; W59-L67 CarbonylContact C-O 3.52Å; W59-L67 VanDerWaalsContact CA-O 3.23Å; W59-L67 WeakPolarHBondContact CA-O 3.48Å; W59-V68 HydrophobicContact CB-CB 4.42Å; W59-V68 HydrophobicContact CB-CG1 4.35Å; W59-V68 HydrophobicContact CB-CG2 3.96Å
60I98.1Very high96.8Very high7 Ų735 Ų354%0.03620%0.201CC..EExtended strand (participates in β ladder)trans-128.8153.4166.863.8170.6000109.1Y66 L67 Y81 L84 Y85 V88I60-Y66 WeakPolarHBondContact O-CA 3.4Å; I60-L67 HydrophobicContact CD1-CB 4.5Å; I60-L67 HydrophobicContact CG1-CB 3.9Å; I60-L67 PolarHBondContact N-O 2.97Å; I60-L67 PolarHBondContact O-N 2.91Å; I60-Y81 HydrophobicContact CG2-CD1 3.83Å; I60-Y81 HydrophobicContact CG2-CE1 4.16Å; I60-L84 HydrophobicContact CD1-CB 3.72Å; I60-L84 HydrophobicContact CG1-CB 4.06Å; I60-L84 HydrophobicContact CG1-CD1 4.43Å; I60-L84 HydrophobicContact CG2-CD1 4.37Å; I60-Y85 HydrophobicContact CD1-CD1 3.93Å; I60-Y85 HydrophobicContact CD1-CE1 4.06Å; I60-Y85 HydrophobicContact CD1-CG 4.3Å; I60-Y85 HydrophobicContact CG2-CE1 4.38Å; I60-Y85 HydrophobicContact CG2-CE2 4.04Å; I60-V88 HydrophobicContact CD1-CG2 3.89Å
61K97Very high96.8Very high118 Ų11835.1 Ų35.151%0.51320%0.201SC..EExtended strand (participates in β ladder)trans-107128.5171-174.9175.8-174.9168.40109.3W59 L65 Y66W59-K61 HydrophobicContact CZ3-CB 4.07Å; K61-L65 WeakPolarHBondContact CA-O 3.28Å; K61-Y66 HydrophobicContact CB-CD1 4.09Å; K61-Y66 HydrophobicContact CB-CE1 3.95Å; K61-Y66 HydrophobicContact CD-CE1 3.86Å; K61-Y66 HydrophobicContact CG-CD1 4.32Å; K61-Y66 HydrophobicContact CG-CE1 3.98Å; K61-Y66 PolarHBondContact NZ-OH 2.83Å
62H96.4Very high96.8Very high54 Ų5434.4 Ų34.425%0.2519%0.193CC..EExtended strand (participates in β ladder)trans-131.2119.8174.1-176.783.5000108.7N64 L65 L67 V88H62-N64 PolarHBondContact O-N 3.25Å; H62-L65 PolarHBondContact N-O 3.23Å; H62-L65 WeakPolarHBondContact O-CA 3.45Å; H62-L65 WeakPolarHBondContact O-CB 3.39Å; H62-L65 PolarHBondContact O-N 2.98Å; H62-L67 HydrophobicContact CB-CD1 4.32Å; H62-V88 HydrophobicContact CB-CG1 4.49Å; H62-V88 HydrophobicContact CB-CG2 4.12Å; H62-V88 VanDerWaalsContact CE1-CG1 3.44Å; H62-V88 WeakPolarHBondContact CE1-CG1 3.38Å; H62-V88 WeakPolarHBondContact ND1-CG1 3.41Å
63S94.3Very high96.6Very high72 Ų7235.5 Ų35.550%0.50320%0.197SC..THydrogen-bonded Turntrans51.3-120.9-175.1-57.30000111.6
64N94.8Very high96.4Very high41 Ų4140 Ų4022%0.21920%0.203CC..THydrogen-bonded Turntrans-95.518.2176.158.5-20.1000113.7L11 H62 E99 E100L11-N64 HydrophobicContact CD1-CB 4Å; L11-N64 HydrophobicContact CG-CB 4Å; L11-N64 WeakPolarHBondContact CG-O 3.05Å; L11-N64 PolarHBondContact N-O 2.82Å; H62-N64 PolarHBondContact O-N 3.25Å; N64-E99 WeakPolarHBondContact OD1-CA 3.09Å; N64-E99 WeakPolarHBondContact OD1-CB 3.49Å; N64-E100 PolarHBondContact OD1-N 3.23Å
65L97.5Very high96.3Very high0 Ų035.3 Ų35.30%018%0.178CC..EExtended strand (participates in β ladder)trans-119.2146.2-177.2-57.6178000112.3V8 L9 L16 K61 H62 L67 L98 E100 I103V8-L65 HydrophobicContact CG1-CB 4.25Å; V8-L65 HydrophobicContact CG1-CD1 4.06Å; V8-L65 HydrophobicContact CG1-CD2 4.16Å; V8-L65 HydrophobicContact CG1-CG 4.41Å; L9-L65 CarbonylContact O-C 3.51Å; L9-L65 VanDerWaalsContact O-CA 3.31Å; L9-L65 WeakPolarHBondContact O-CA 3.19Å; L16-L65 HydrophobicContact CD1-CD2 3.42Å; L16-L65 VanDerWaalsContact CD1-CD2 3.42Å; K61-L65 WeakPolarHBondContact CA-O 3.28Å; H62-L65 PolarHBondContact N-O 3.23Å; H62-L65 WeakPolarHBondContact O-CA 3.45Å; H62-L65 WeakPolarHBondContact O-CB 3.39Å; H62-L65 PolarHBondContact O-N 2.98Å; L65-L67 HydrophobicContact CB-CD1 4.31Å; L65-L98 HydrophobicContact CD1-CD1 3.82Å; L65-L98 HydrophobicContact CD1-CG 3.85Å; L65-E100 HydrophobicContact CD2-CB 4.21Å; L65-I103 HydrophobicContact CD1-CG1 4.17Å
66Y98.2Very high96.2Very high20 Ų2039.4 Ų39.48%0.07820%0.2CC..EExtended strand (participates in β ladder)trans-105.9126.7160.7-67.7-82.1000109.4V8 L9 D10 L11 F33 M34 L37 W59 I60 K61V8-Y66 CarbonylContact C-O 3.49Å; V8-Y66 WeakPolarHBondContact CA-O 3.34Å; L9-Y66 PolarHBondContact N-O 3.2Å; L9-Y66 PolarHBondContact O-N 3.42Å; D10-Y66 WeakPolarHBondContact O-CD2 3.47Å; L11-Y66 HydrophobicContact CD2-CE2 4.1Å; F33-Y66 HydrophobicContact CE1-CD1 4.4Å; F33-Y66 HydrophobicContact CE1-CG 4.29Å; F33-Y66 HydrophobicContact CZ-CD1 4.38Å; M34-Y66 HydrophobicContact CE-CD2 3.99Å; M34-Y66 HydrophobicContact CE-CE2 3.67Å; L37-Y66 HydrophobicContact CD2-CD1 4.47Å; L37-Y66 HydrophobicContact CD2-CE1 3.78Å; W59-Y66 AromaticContact CE3-CD1 3.66Å; W59-Y66 HydrophobicContact CE3-CD1 3.66Å; W59-Y66 AromaticContact CE3-CE1 3.87Å; W59-Y66 HydrophobicContact CE3-CE1 3.87Å; W59-Y66 HydrophobicContact CH2-CE1 4.44Å; W59-Y66 AromaticContact CZ3-CD1 3.88Å; W59-Y66 HydrophobicContact CZ3-CD1 3.88Å; W59-Y66 AromaticContact CZ3-CE1 3.6Å; W59-Y66 HydrophobicContact CZ3-CE1 3.6Å; I60-Y66 WeakPolarHBondContact O-CA 3.4Å; K61-Y66 HydrophobicContact CB-CD1 4.09Å; K61-Y66 HydrophobicContact CB-CE1 3.95Å; K61-Y66 HydrophobicContact CD-CE1 3.86Å; K61-Y66 HydrophobicContact CG-CD1 4.32Å; K61-Y66 HydrophobicContact CG-CE1 3.98Å; K61-Y66 PolarHBondContact NZ-OH 2.83Å
67L98.4Very high96Very high1 Ų138.2 Ų38.21%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-101.7119.5167.1-7078000107.6F7 V8 W59 I60 H62 L65 L84 I87 V88F7-L67 WeakPolarHBondContact O-CA 3.25Å; V8-L67 HydrophobicContact CG2-CG 4.41Å; W59-L67 CarbonylContact C-O 3.52Å; W59-L67 VanDerWaalsContact CA-O 3.23Å; W59-L67 WeakPolarHBondContact CA-O 3.48Å; I60-L67 HydrophobicContact CD1-CB 4.5Å; I60-L67 HydrophobicContact CG1-CB 3.9Å; I60-L67 PolarHBondContact N-O 2.97Å; I60-L67 PolarHBondContact O-N 2.91Å; H62-L67 HydrophobicContact CB-CD1 4.32Å; L65-L67 HydrophobicContact CB-CD1 4.31Å; L67-L84 HydrophobicContact CB-CD2 4.14Å; L67-I87 HydrophobicContact CD2-CB 4.21Å; L67-I87 HydrophobicContact CD2-CG2 3.79Å; L67-V88 HydrophobicContact CD1-CG2 4.01Å; L67-V88 HydrophobicContact CD2-CG2 3.71Å
68V98.4Very high95.9Very high0 Ų042.3 Ų42.30%023%0.229CC..EExtended strand (participates in β ladder)trans-123123.7-173.2-1720000109.3I6 F7 L9 I30 F33 F57 W59I6-V68 CarbonylContact C-O 3.59Å; I6-V68 WeakPolarHBondContact CA-O 3.27Å; F7-V68 HydrophobicContact CB-CB 4.41Å; F7-V68 PolarHBondContact N-O 2.92Å; F7-V68 PolarHBondContact O-N 2.85Å; L9-V68 HydrophobicContact CD1-CG2 3.87Å; L9-V68 HydrophobicContact CG-CG2 4.29Å; I30-V68 HydrophobicContact CD1-CB 4.16Å; I30-V68 HydrophobicContact CD1-CG1 3.96Å; F33-V68 HydrophobicContact CD1-CG2 4.02Å; F33-V68 HydrophobicContact CD2-CG1 4.13Å; F33-V68 HydrophobicContact CD2-CG2 4.4Å; F33-V68 HydrophobicContact CE1-CG2 3.66Å; F33-V68 HydrophobicContact CE2-CG1 4.24Å; F33-V68 HydrophobicContact CE2-CG2 4.08Å; F33-V68 HydrophobicContact CG-CG1 4.46Å; F33-V68 HydrophobicContact CG-CG2 4.38Å; F33-V68 HydrophobicContact CZ-CG2 3.69Å; F57-V68 HydrophobicContact CB-CG1 4Å; F57-V68 HydrophobicContact CD1-CG1 4.08Å; W59-V68 HydrophobicContact CB-CB 4.42Å; W59-V68 HydrophobicContact CB-CG1 4.35Å; W59-V68 HydrophobicContact CB-CG2 3.96Å
69A98.2Very high95.8Very high2 Ų245 Ų452%0.01724%0.243CC..EExtended strand (participates in β ladder)trans-103.5128.2169.200000109.7A3 A5 I6 M58 V80 L84A3-A69 HydrophobicContact CB-CB 4.1Å; A5-A69 WeakPolarHBondContact O-CA 3.44Å; I6-A69 HydrophobicContact CG1-CB 4.39Å; M58-A69 PolarHBondContact N-O 2.92Å; M58-A69 PolarHBondContact O-N 2.84Å; A69-V80 HydrophobicContact CB-CG1 3.41Å; A69-V80 VanDerWaalsContact CB-CG1 3.41Å; A69-L84 HydrophobicContact CB-CD1 4.34Å; A69-L84 HydrophobicContact CB-CD2 4.22Å
70T97.8Very high95.8Very high2 Ų243.8 Ų43.81%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-98.9147.2176.360.20000111.2S4 A5 F7 H56 F57S4-T70 VanDerWaalsContact CB-O 3.28Å; S4-T70 WeakPolarHBondContact CB-O 3.49Å; S4-T70 PolarHBondContact N-O 3.42Å; A5-T70 PolarHBondContact N-OG1 3.37Å; A5-T70 PolarHBondContact O-N 3.24Å; A5-T70 PolarHBondContact O-OG1 2.88Å; F7-T70 HydrophobicContact CD2-CG2 4.1Å; F7-T70 HydrophobicContact CE2-CG2 3.67Å; H56-T70 CarbonylContact O-C 3.48Å; H56-T70 WeakPolarHBondContact O-CA 3.42Å; F57-T70 HydrophobicContact CD1-CG2 3.7Å; F57-T70 HydrophobicContact CE1-CG2 3.88Å
71T96.3Very high95.7Very high2 Ų245.4 Ų45.41%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-156147.2171.6-169.80000111.2H56 M58 K73 S75H56-T71 HydrophobicContact CB-CG2 4.07Å; H56-T71 PolarHBondContact N-O 3.19Å; H56-T71 PolarHBondContact O-N 2.9Å; M58-T71 HydrophobicContact CE-CG2 3.63Å; T71-K73 PolarHBondContact OG1-N 2.95Å; T71-S75 PolarHBondContact OG1-OG 3.3Å
72N94.9Very high95.7Very high47 Ų4743.7 Ų43.725%0.25125%0.248SC..SBendtrans-111.915.7174.264.9-9.5000113.4D24 V25 N54D24-N72 PolarHBondContact O-ND2 3.2Å; D24-N72 PolarHBondContact OD2-OD1 2.82Å; V25-N72 HydrophobicContact CG2-CB 3.9Å; N54-N72 VanDerWaalsContact O-CA 3.27Å; N54-N72 WeakPolarHBondContact O-CA 3.25Å
73K92Very high95.7Very high86 Ų8641.5 Ų41.537%0.37424%0.238SC..SBendtrans-126.6166-178.6-70171.4-174.6143.40109.8M1 D24 T71 S75M1-K73 HydrophobicContact CE-CD 4.49Å; M1-K73 HydrophobicContact SD-CD 4.46Å; D24-K73 IonicContact OD2-NZ 2.7Å; D24-K73 PolarHBondContact OD2-NZ 3.26Å; T71-K73 PolarHBondContact OG1-N 2.95Å; K73-S75 PolarHBondContact O-N 2.62Å; K73-S75 PolarHBondContact O-OG 2.98Å
74N91.9Very high95.9Very high172 Ų17238 Ų3892%0.9221%0.214SC*.  trans-70.279.6169.2-173.910.4000110.4
75S90.8Very high96Very high10 Ų1043 Ų437%0.0723%0.231CC..  trans-87.5150.9-177-66.10000111.2M1 S2 T71 K73 A77M1-S75 VanDerWaalsContact O-CA 3.29Å; M1-S75 WeakPolarHBondContact O-CA 3.5Å; M1-S75 WeakPolarHBondContact O-CB 3.4Å; M1-S75 PolarHBondContact O-OG 3.48Å; M1-S75 VanDerWaalsContact O-OG 3.04Å; S2-S75 WeakPolarHBondContact O-CB 3.34Å; S2-S75 PolarHBondContact O-OG 3.36Å; T71-S75 PolarHBondContact OG1-OG 3.3Å; K73-S75 PolarHBondContact O-N 2.62Å; K73-S75 PolarHBondContact O-OG 2.98Å; S75-A77 PolarHBondContact O-N 2.84Å
76N94.4Very high96Very high92 Ų9244.6 Ų44.649%0.49224%0.238SC..  trans-70.3100.4175.8-177.5-27.6000109.4S78 L79 V80N76-S78 VanDerWaalsContact C-N 3.29Å; N76-S78 PolarHBondContact O-N 2.93Å; N76-S78 WeakPolarHBondContact OD1-CB 3.33Å; N76-S78 PolarHBondContact OD1-N 3.32Å; N76-S78 VanDerWaalsContact OD1-N 3.08Å; N76-L79 HydrophobicContact CB-CB 4.06Å; N76-L79 WeakPolarHBondContact O-CB 3.39Å; N76-L79 PolarHBondContact O-N 3.16Å; N76-L79 PolarHBondContact OD1-N 3.17Å; N76-L79 VanDerWaalsContact OD1-N 3.11Å; N76-V80 PolarHBondContact O-N 2.71Å
77A94.4Very high95.9Very high36 Ų3643.7 Ų43.730%0.29823%0.234SC..Hα-helixtrans-58.7-39.7-178.100000112.2M58 S75 L79 V80 Y81M58-A77 HydrophobicContact CE-CB 4.34Å; M58-A77 HydrophobicContact SD-CB 4.18Å; S75-A77 PolarHBondContact O-N 2.84Å; A77-L79 VanDerWaalsContact C-N 3.32Å; A77-L79 PolarHBondContact O-N 3.32Å; A77-V80 PolarHBondContact O-N 3.29Å; A77-V80 VanDerWaalsContact O-N 3.14Å; A77-Y81 HydrophobicContact CB-CD2 4.37Å; A77-Y81 HydrophobicContact CB-CE2 4.21Å; A77-Y81 WeakPolarHBondContact O-CD2 3.42Å; A77-Y81 PolarHBondContact O-N 2.77Å
78S95.3Very high95.9Very high86 Ų8644.3 Ų44.360%0.60124%0.238SC*.Hα-helixtrans-60.4-42.3178.3-54.50000111.9N76 V80 Y81 S82N76-S78 VanDerWaalsContact C-N 3.29Å; N76-S78 PolarHBondContact O-N 2.93Å; N76-S78 WeakPolarHBondContact OD1-CB 3.33Å; N76-S78 PolarHBondContact OD1-N 3.32Å; N76-S78 VanDerWaalsContact OD1-N 3.08Å; S78-V80 VanDerWaalsContact C-N 3.33Å; S78-V80 PolarHBondContact O-N 3.22Å; S78-Y81 PolarHBondContact O-N 3.16Å; S78-S82 WeakPolarHBondContact O-CB 3.44Å; S78-S82 PolarHBondContact O-N 3.4Å; S78-S82 PolarHBondContact O-OG 3.45Å; S78-S82 VanDerWaalsContact O-OG 3.08Å
79L95.9Very high95.7Very high66 Ų6648.3 Ų48.335%0.34626%0.257SS..Hα-helixtrans-61.8-42.2175.617860.6000111.6S2 N76 A77 F83 P123S2-L79 WeakPolarHBondContact OG-CD2 3.46Å; N76-L79 HydrophobicContact CB-CB 4.06Å; N76-L79 WeakPolarHBondContact O-CB 3.39Å; N76-L79 PolarHBondContact O-N 3.16Å; N76-L79 PolarHBondContact OD1-N 3.17Å; N76-L79 VanDerWaalsContact OD1-N 3.11Å; A77-L79 VanDerWaalsContact C-N 3.32Å; A77-L79 PolarHBondContact O-N 3.32Å; L79-F83 VanDerWaalsContact O-CB 3.26Å; L79-F83 WeakPolarHBondContact O-CB 3.43Å; L79-F83 PolarHBondContact O-N 2.99Å; L79-P123 HydrophobicContact CD1-CG 4.08Å
80V96.7Very high95.6Very high5 Ų548.2 Ų48.23%0.0326%0.256CS..Hα-helixtrans-65.1-49.2178.7176.80000110.8M58 A69 N76 A77 S78 F83 L84M58-V80 HydrophobicContact CB-CG1 3.94Å; M58-V80 HydrophobicContact CG-CG1 4.44Å; M58-V80 HydrophobicContact SD-CB 3.64Å; M58-V80 HydrophobicContact SD-CG1 3.68Å; M58-V80 HydrophobicContact SD-CG2 3.8Å; A69-V80 HydrophobicContact CB-CG1 3.41Å; A69-V80 VanDerWaalsContact CB-CG1 3.41Å; N76-V80 PolarHBondContact O-N 2.71Å; A77-V80 PolarHBondContact O-N 3.29Å; A77-V80 VanDerWaalsContact O-N 3.14Å; S78-V80 VanDerWaalsContact C-N 3.33Å; S78-V80 PolarHBondContact O-N 3.22Å; V80-F83 WeakPolarHBondContact O-CB 3.43Å; V80-F83 PolarHBondContact O-N 3.21Å; V80-L84 HydrophobicContact CG1-CD1 4.2Å; V80-L84 HydrophobicContact CG1-CG 4.33Å; V80-L84 WeakPolarHBondContact O-CG 3.42Å; V80-L84 PolarHBondContact O-N 2.77Å
81Y97.4Very high95.5Very high41 Ų4148.2 Ų48.216%0.16126%0.255CS..Hα-helixtrans-63.8-45178.5-73.7-65.6000112.7P48 V49 M58 I60 A77 S78 F83 L84 Y85P48-Y81 HydrophobicContact CB-CE1 4.2Å; P48-Y81 WeakPolarHBondContact CB-OH 3.36Å; P48-Y81 PolarHBondContact O-OH 2.97Å; V49-Y81 HydrophobicContact CG2-CE2 4.4Å; V49-Y81 WeakPolarHBondContact CG2-OH 3.46Å; M58-Y81 HydrophobicContact CB-CE1 4.34Å; I60-Y81 HydrophobicContact CG2-CD1 3.83Å; I60-Y81 HydrophobicContact CG2-CE1 4.16Å; A77-Y81 HydrophobicContact CB-CD2 4.37Å; A77-Y81 HydrophobicContact CB-CE2 4.21Å; A77-Y81 WeakPolarHBondContact O-CD2 3.42Å; A77-Y81 PolarHBondContact O-N 2.77Å; S78-Y81 PolarHBondContact O-N 3.16Å; Y81-F83 PolarHBondContact O-N 2.94Å; Y81-L84 HydrophobicContact CD1-CD1 4.42Å; Y81-L84 PolarHBondContact O-N 3.36Å; Y81-Y85 WeakPolarHBondContact O-CD2 3.4Å; Y81-Y85 PolarHBondContact O-N 3.43Å
82S96.1Very high95.5Very high82 Ų8250.3 Ų50.357%0.57327%0.268SS*.Hα-helixtrans-56.8-39.6174.7-68.80000111.4S78 K86S78-S82 WeakPolarHBondContact O-CB 3.44Å; S78-S82 PolarHBondContact O-N 3.4Å; S78-S82 PolarHBondContact O-OG 3.45Å; S78-S82 VanDerWaalsContact O-OG 3.08Å; S82-K86 WeakPolarHBondContact O-CB 3.15Å; S82-K86 PolarHBondContact O-N 3.43Å
83F97Very high95.3Very high8 Ų852 Ų524%0.03528%0.275CS..Hα-helixtrans-69.7-42.3176.3-173.5-112.9000113.1I6 L79 V80 Y81 Y85 K86 I87 L117 M118 P123 T126I6-F83 HydrophobicContact CD1-CD1 3.84Å; I6-F83 HydrophobicContact CD1-CE1 3.43Å; I6-F83 VanDerWaalsContact CD1-CE1 3.43Å; L79-F83 VanDerWaalsContact O-CB 3.26Å; L79-F83 WeakPolarHBondContact O-CB 3.43Å; L79-F83 PolarHBondContact O-N 2.99Å; V80-F83 WeakPolarHBondContact O-CB 3.43Å; V80-F83 PolarHBondContact O-N 3.21Å; Y81-F83 PolarHBondContact O-N 2.94Å; F83-Y85 VanDerWaalsContact C-N 3.35Å; F83-Y85 PolarHBondContact O-N 2.84Å; F83-K86 CarbonylContact O-C 3.57Å; F83-K86 WeakPolarHBondContact O-CA 3.08Å; F83-K86 WeakPolarHBondContact O-CB 3.23Å; F83-K86 PolarHBondContact O-N 2.79Å; F83-I87 HydrophobicContact CD1-CD1 3.85Å; F83-I87 HydrophobicContact CD1-CG1 4.27Å; F83-I87 HydrophobicContact CE1-CD1 3.47Å; F83-I87 VanDerWaalsContact CE1-CD1 3.47Å; F83-I87 HydrophobicContact CE1-CG1 3.92Å; F83-I87 HydrophobicContact CE2-CG1 4.46Å; F83-I87 HydrophobicContact CZ-CD1 4.02Å; F83-I87 HydrophobicContact CZ-CG1 4.02Å; F83-I87 WeakPolarHBondContact O-CG1 3.49Å; F83-I87 PolarHBondContact O-N 3.42Å; F83-L117 HydrophobicContact CE2-CB 4.08Å; F83-L117 WeakPolarHBondContact CE2-O 3.38Å; F83-L117 HydrophobicContact CZ-CB 3.79Å; F83-M118 HydrophobicContact CD1-CE 3.29Å; F83-M118 HydrophobicContact CD2-CE 4.47Å; F83-M118 HydrophobicContact CE1-CB 4Å; F83-M118 HydrophobicContact CE1-CE 3.18Å; F83-M118 HydrophobicContact CE1-SD 3.96Å; F83-M118 HydrophobicContact CE2-CB 4.46Å; F83-M118 HydrophobicContact CE2-CE 4.4Å; F83-M118 HydrophobicContact CG-CE 3.96Å; F83-M118 HydrophobicContact CZ-CB 3.62Å; F83-M118 HydrophobicContact CZ-CE 3.8Å; F83-P123 HydrophobicContact CB-CG 4.14Å; F83-P123 HydrophobicContact CD2-CB 3.61Å; F83-P123 HydrophobicContact CD2-CG 3.52Å; F83-P123 HydrophobicContact CE2-CB 3.77Å; F83-P123 HydrophobicContact CE2-CG 4.02Å; F83-P123 HydrophobicContact CG-CB 4.42Å; F83-P123 HydrophobicContact CG-CG 3.83Å; F83-T126 HydrophobicContact CD2-CG2 4.29Å; F83-T126 HydrophobicContact CE2-CG2 3.96Å
84L97.8Very high95.4Very high0 Ų048.4 Ų48.40%026%0.259CS..Hα-helixtrans-60-44.1176.2-69.4177.7000111.7I60 L67 A69 V80 Y81 K86 I87 V88I60-L84 HydrophobicContact CD1-CB 3.72Å; I60-L84 HydrophobicContact CG1-CB 4.06Å; I60-L84 HydrophobicContact CG1-CD1 4.43Å; I60-L84 HydrophobicContact CG2-CD1 4.37Å; L67-L84 HydrophobicContact CB-CD2 4.14Å; A69-L84 HydrophobicContact CB-CD1 4.34Å; A69-L84 HydrophobicContact CB-CD2 4.22Å; V80-L84 HydrophobicContact CG1-CD1 4.2Å; V80-L84 HydrophobicContact CG1-CG 4.33Å; V80-L84 WeakPolarHBondContact O-CG 3.42Å; V80-L84 PolarHBondContact O-N 2.77Å; Y81-L84 HydrophobicContact CD1-CD1 4.42Å; Y81-L84 PolarHBondContact O-N 3.36Å; L84-K86 VanDerWaalsContact C-N 3.29Å; L84-K86 PolarHBondContact O-N 2.85Å; L84-I87 PolarHBondContact O-N 2.8Å; L84-V88 PolarHBondContact O-N 3Å; L84-V88 VanDerWaalsContact O-N 3.15Å
85Y97.3Very high95.4Very high145 Ų14541.5 Ų41.557%0.56922%0.221SC*.Hα-helixtrans-64.9-34.1173.2-74.9-65.7000112.3I60 Y81 F83 V88 E89I60-Y85 HydrophobicContact CD1-CD1 3.93Å; I60-Y85 HydrophobicContact CD1-CE1 4.06Å; I60-Y85 HydrophobicContact CD1-CG 4.3Å; I60-Y85 HydrophobicContact CG2-CE1 4.38Å; I60-Y85 HydrophobicContact CG2-CE2 4.04Å; Y81-Y85 WeakPolarHBondContact O-CD2 3.4Å; Y81-Y85 PolarHBondContact O-N 3.43Å; F83-Y85 VanDerWaalsContact C-N 3.35Å; F83-Y85 PolarHBondContact O-N 2.84Å; Y85-V88 WeakPolarHBondContact O-CB 3.36Å; Y85-V88 PolarHBondContact O-N 3.49Å; Y85-E89 PolarHBondContact O-N 3.25Å
86K96.4Very high95.4Very high34 Ų3449.7 Ų49.715%0.14826%0.255CS..Hα-helixtrans-70.3-35.7176.2-167.360.7177.6-179.10112.6S82 F83 L84 V88 E89 V90 T126S82-K86 WeakPolarHBondContact O-CB 3.15Å; S82-K86 PolarHBondContact O-N 3.43Å; F83-K86 CarbonylContact O-C 3.57Å; F83-K86 WeakPolarHBondContact O-CA 3.08Å; F83-K86 WeakPolarHBondContact O-CB 3.23Å; F83-K86 PolarHBondContact O-N 2.79Å; L84-K86 VanDerWaalsContact C-N 3.29Å; L84-K86 PolarHBondContact O-N 2.85Å; K86-V88 VanDerWaalsContact C-N 3.33Å; K86-E89 HydrophobicContact CD-CB 4.43Å; K86-E89 VanDerWaalsContact CD-OE2 3.28Å; K86-E89 WeakPolarHBondContact CD-OE2 3.35Å; K86-E89 VanDerWaalsContact NZ-CD 3.26Å; K86-E89 IonicContact NZ-OE1 3.09Å; K86-E89 PolarHBondContact NZ-OE1 2.8Å; K86-E89 IonicContact NZ-OE2 3.74Å; K86-E89 PolarHBondContact NZ-OE2 2.88Å; K86-E89 PolarHBondContact O-N 3.15Å; K86-V90 VanDerWaalsContact O-CG2 3.31Å; K86-V90 WeakPolarHBondContact O-CG2 3.31Å; K86-V90 PolarHBondContact O-N 2.83Å; K86-T126 WeakPolarHBondContact CE-O 3.35Å; K86-T126 HydrophobicContact CG-CG2 4.16Å
87I97.1Very high95.3Very high1 Ų151.7 Ų51.71%0.00526%0.262CS..Hα-helixtrans-58.5-48.1170.3-70.3173.5000109.7I6 L67 F83 L84 E89 V90 F91 L114 L117I6-I87 HydrophobicContact CD1-CD1 3.82Å; I6-I87 HydrophobicContact CG2-CD1 4.24Å; L67-I87 HydrophobicContact CD2-CB 4.21Å; L67-I87 HydrophobicContact CD2-CG2 3.79Å; F83-I87 HydrophobicContact CD1-CD1 3.85Å; F83-I87 HydrophobicContact CD1-CG1 4.27Å; F83-I87 HydrophobicContact CE1-CD1 3.47Å; F83-I87 VanDerWaalsContact CE1-CD1 3.47Å; F83-I87 HydrophobicContact CE1-CG1 3.92Å; F83-I87 HydrophobicContact CE2-CG1 4.46Å; F83-I87 HydrophobicContact CZ-CD1 4.02Å; F83-I87 HydrophobicContact CZ-CG1 4.02Å; F83-I87 WeakPolarHBondContact O-CG1 3.49Å; F83-I87 PolarHBondContact O-N 3.42Å; L84-I87 PolarHBondContact O-N 2.8Å; I87-E89 VanDerWaalsContact C-N 3.33Å; I87-E89 PolarHBondContact O-N 2.79Å; I87-V90 PolarHBondContact O-N 3.42Å; I87-F91 HydrophobicContact CG2-CD1 4.35Å; I87-F91 HydrophobicContact CG2-CD2 3.68Å; I87-F91 HydrophobicContact CG2-CE1 4.1Å; I87-F91 HydrophobicContact CG2-CE2 3.38Å; I87-F91 HydrophobicContact CG2-CG 4.16Å; I87-F91 HydrophobicContact CG2-CZ 3.6Å; I87-F91 WeakPolarHBondContact O-CB 3.38Å; I87-F91 WeakPolarHBondContact O-CG 3.46Å; I87-F91 PolarHBondContact O-N 2.96Å; I87-L114 HydrophobicContact CD1-CD2 4.25Å; I87-L117 HydrophobicContact CG1-CD1 4.25Å
88V97.5Very high95.4Very high13 Ų1350.2 Ų50.28%0.07925%0.248CC..Hα-helixtrans-56-50176.7168.70000110.3I60 H62 L67 L84 Y85 K86 V90 F91 T92 L98I60-V88 HydrophobicContact CD1-CG2 3.89Å; H62-V88 HydrophobicContact CB-CG1 4.49Å; H62-V88 HydrophobicContact CB-CG2 4.12Å; H62-V88 VanDerWaalsContact CE1-CG1 3.44Å; H62-V88 WeakPolarHBondContact CE1-CG1 3.38Å; H62-V88 WeakPolarHBondContact ND1-CG1 3.41Å; L67-V88 HydrophobicContact CD1-CG2 4.01Å; L67-V88 HydrophobicContact CD2-CG2 3.71Å; L84-V88 PolarHBondContact O-N 3Å; L84-V88 VanDerWaalsContact O-N 3.15Å; Y85-V88 WeakPolarHBondContact O-CB 3.36Å; Y85-V88 PolarHBondContact O-N 3.49Å; K86-V88 VanDerWaalsContact C-N 3.33Å; V88-V90 PolarHBondContact O-N 3.37Å; V88-F91 PolarHBondContact O-N 2.8Å; V88-T92 WeakPolarHBondContact O-CB 3.29Å; V88-T92 PolarHBondContact O-N 2.84Å; V88-T92 PolarHBondContact O-OG1 2.97Å; V88-L98 HydrophobicContact CB-CD2 4.18Å; V88-L98 HydrophobicContact CG1-CD2 4.06Å; V88-L98 HydrophobicContact CG2-CD2 4.07Å
89E95.4Very high95.4Very high85 Ų8549.9 Ų49.940%0.39724%0.237SC..Hα-helixtrans-57-50.1177.9-172.1-170145.400112.2Y85 K86 I87 F91 T92 E93Y85-E89 PolarHBondContact O-N 3.25Å; K86-E89 HydrophobicContact CD-CB 4.43Å; K86-E89 VanDerWaalsContact CD-OE2 3.28Å; K86-E89 WeakPolarHBondContact CD-OE2 3.35Å; K86-E89 VanDerWaalsContact NZ-CD 3.26Å; K86-E89 IonicContact NZ-OE1 3.09Å; K86-E89 PolarHBondContact NZ-OE1 2.8Å; K86-E89 IonicContact NZ-OE2 3.74Å; K86-E89 PolarHBondContact NZ-OE2 2.88Å; K86-E89 PolarHBondContact O-N 3.15Å; I87-E89 VanDerWaalsContact C-N 3.33Å; I87-E89 PolarHBondContact O-N 2.79Å; E89-F91 PolarHBondContact O-N 3.23Å; E89-T92 PolarHBondContact O-N 3.17Å; E89-E93 WeakPolarHBondContact O-CG 3.39Å; E89-E93 PolarHBondContact O-N 2.99Å
90V95.7Very high95.4Very high0 Ų049.4 Ų49.40%023%0.234CC..Hα-helixtrans-60.8-46.9179171.50000110.9K86 I87 V88 E93 Y94 L113 L117 T126 L131K86-V90 VanDerWaalsContact O-CG2 3.31Å; K86-V90 WeakPolarHBondContact O-CG2 3.31Å; K86-V90 PolarHBondContact O-N 2.83Å; I87-V90 PolarHBondContact O-N 3.42Å; V88-V90 PolarHBondContact O-N 3.37Å; V90-E93 PolarHBondContact O-N 3.17Å; V90-Y94 HydrophobicContact CG1-CD2 4.05Å; V90-Y94 HydrophobicContact CG1-CE2 4.12Å; V90-Y94 WeakPolarHBondContact O-CD2 3.22Å; V90-Y94 PolarHBondContact O-N 2.93Å; V90-L113 HydrophobicContact CG1-CD2 4.27Å; V90-L117 HydrophobicContact CG1-CD1 4.47Å; V90-L117 HydrophobicContact CG1-CD2 4.4Å; V90-L117 HydrophobicContact CG2-CD2 4.13Å; V90-T126 WeakPolarHBondContact CG2-O 3.42Å; V90-L131 HydrophobicContact CG1-CD1 4.12Å
91F95.9Very high95.2Very high1 Ų155.4 Ų55.40%0.00426%0.261CS..Hα-helixtrans-65.9-40.4179.4-71.8-2000112I87 V88 E89 E93 Y94 F95 L98 I103 V110 L113 L114 L117I87-F91 HydrophobicContact CG2-CD1 4.35Å; I87-F91 HydrophobicContact CG2-CD2 3.68Å; I87-F91 HydrophobicContact CG2-CE1 4.1Å; I87-F91 HydrophobicContact CG2-CE2 3.38Å; I87-F91 HydrophobicContact CG2-CG 4.16Å; I87-F91 HydrophobicContact CG2-CZ 3.6Å; I87-F91 WeakPolarHBondContact O-CB 3.38Å; I87-F91 WeakPolarHBondContact O-CG 3.46Å; I87-F91 PolarHBondContact O-N 2.96Å; V88-F91 PolarHBondContact O-N 2.8Å; E89-F91 PolarHBondContact O-N 3.23Å; F91-E93 VanDerWaalsContact C-N 3.3Å; F91-E93 PolarHBondContact O-N 3.17Å; F91-Y94 PolarHBondContact O-N 2.82Å; F91-F95 HydrophobicContact CB-CD2 3.97Å; F91-F95 HydrophobicContact CB-CE2 3.98Å; F91-F95 HydrophobicContact CD1-CE2 4.17Å; F91-F95 HydrophobicContact CG-CE2 4.04Å; F91-F95 WeakPolarHBondContact O-CB 3.22Å; F91-F95 WeakPolarHBondContact O-CD2 3.23Å; F91-F95 WeakPolarHBondContact O-CG 3.49Å; F91-F95 PolarHBondContact O-N 2.84Å; F91-L98 HydrophobicContact CB-CD1 3.9Å; F91-L98 HydrophobicContact CB-CD2 3.95Å; F91-L98 HydrophobicContact CB-CG 4.4Å; F91-L98 HydrophobicContact CD2-CD1 3.97Å; F91-L98 HydrophobicContact CD2-CD2 4.29Å; F91-L98 HydrophobicContact CG-CD1 4.43Å; F91-I103 HydrophobicContact CD2-CD1 4.1Å; F91-I103 HydrophobicContact CE2-CD1 4.17Å; F91-V110 HydrophobicContact CE1-CG1 4.31Å; F91-V110 HydrophobicContact CE2-CG1 3.92Å; F91-V110 HydrophobicContact CZ-CG1 3.59Å; F91-L113 HydrophobicContact CD1-CD1 3.88Å; F91-L113 HydrophobicContact CE1-CB 3.94Å; F91-L113 HydrophobicContact CE1-CD1 3.8Å; F91-L114 HydrophobicContact CZ-CD2 4.08Å; F91-L114 HydrophobicContact CZ-CG 4.23Å; F91-L117 HydrophobicContact CE1-CD1 4.34Å
92T94.9Very high95.1Very high46 Ų4654.5 Ų54.528%0.28226%0.261SS..Hα-helixtrans-62-37.8173.8-58.40000111.3V88 E89 K96V88-T92 WeakPolarHBondContact O-CB 3.29Å; V88-T92 PolarHBondContact O-N 2.84Å; V88-T92 PolarHBondContact O-OG1 2.97Å; E89-T92 PolarHBondContact O-N 3.17Å; T92-K96 WeakPolarHBondContact CG2-O 3.3Å; T92-K96 CarbonylContact O-C 3.54Å; T92-K96 WeakPolarHBondContact O-CA 3.46Å; T92-K96 PolarHBondContact O-N 3.43Å
93E92.1Very high95Very high82 Ų8250.8 Ų50.838%0.38323%0.234SC..Hα-helixtrans-70-32.4176.4-74-168.8-163.600113.7E89 V90 F91 S128E89-E93 WeakPolarHBondContact O-CG 3.39Å; E89-E93 PolarHBondContact O-N 2.99Å; V90-E93 PolarHBondContact O-N 3.17Å; F91-E93 VanDerWaalsContact C-N 3.3Å; F91-E93 PolarHBondContact O-N 3.17Å; E93-S128 VanDerWaalsContact CD-OG 3.3Å; E93-S128 WeakPolarHBondContact OE2-CB 3.43Å; E93-S128 PolarHBondContact OE2-OG 2.45Å
94Y92.9Very high94.8Very high12 Ų1255 Ų555%0.04725%0.254CS..Hα-helixtrans-74.1-47.5173.8-91-104.8000112V90 F91 V109 L113 L131 Q132 I135 Q137V90-Y94 HydrophobicContact CG1-CD2 4.05Å; V90-Y94 HydrophobicContact CG1-CE2 4.12Å; V90-Y94 WeakPolarHBondContact O-CD2 3.22Å; V90-Y94 PolarHBondContact O-N 2.93Å; F91-Y94 PolarHBondContact O-N 2.82Å; Y94-V109 HydrophobicContact CD1-CG1 4.12Å; Y94-V109 HydrophobicContact CE1-CG1 4.24Å; Y94-L113 HydrophobicContact CD1-CD1 4.19Å; Y94-L113 HydrophobicContact CD2-CD1 4.27Å; Y94-L113 HydrophobicContact CE1-CD1 4.34Å; Y94-L113 HydrophobicContact CE1-CD2 4.24Å; Y94-L113 HydrophobicContact CE2-CD1 4.4Å; Y94-L113 HydrophobicContact CE2-CD2 3.89Å; Y94-L113 HydrophobicContact CG-CD1 4.14Å; Y94-L131 HydrophobicContact CE2-CB 4.32Å; Y94-L131 VanDerWaalsContact OH-CB 3.25Å; Y94-L131 WeakPolarHBondContact OH-CB 3.37Å; Y94-L131 PolarHBondContact OH-O 2.97Å; Y94-Q132 HydrophobicContact CD2-CG 4.3Å; Y94-Q132 HydrophobicContact CE1-CG 3.92Å; Y94-Q132 HydrophobicContact CE2-CG 3.63Å; Y94-Q132 VanDerWaalsContact CZ-CG 3.42Å; Y94-Q132 VanDerWaalsContact OH-CA 3.3Å; Y94-Q132 WeakPolarHBondContact OH-CA 3.38Å; Y94-Q132 PolarHBondContact OH-N 2.82Å; Y94-I135 HydrophobicContact CE1-CG2 4.48Å; Y94-I135 WeakPolarHBondContact CE1-O 3.49Å; Y94-I135 PolarHBondContact OH-O 3.39Å; Y94-I135 VanDerWaalsContact OH-O 3.13Å; Y94-Q137 VanDerWaalsContact C-NE2 3.32Å; Y94-Q137 HydrophobicContact CD1-CG 4.27Å; Y94-Q137 PolarHBondContact O-NE2 3.4Å
95F92.8Very high94.6Very high26 Ų2660.5 Ų60.511%0.11428%0.284CS..Hα-helixtrans-102.6-4.6-167.9-49.9-51.6000114.1F91 E97 N106 V109 V110 L113F91-F95 HydrophobicContact CB-CD2 3.97Å; F91-F95 HydrophobicContact CB-CE2 3.98Å; F91-F95 HydrophobicContact CD1-CE2 4.17Å; F91-F95 HydrophobicContact CG-CE2 4.04Å; F91-F95 WeakPolarHBondContact O-CB 3.22Å; F91-F95 WeakPolarHBondContact O-CD2 3.23Å; F91-F95 WeakPolarHBondContact O-CG 3.49Å; F91-F95 PolarHBondContact O-N 2.84Å; F95-E97 WeakPolarHBondContact CB-O 3.38Å; F95-E97 PolarHBondContact O-N 2.99Å; F95-N106 HydrophobicContact CD1-CB 4.08Å; F95-N106 HydrophobicContact CE1-CB 3.41Å; F95-N106 VanDerWaalsContact CE1-CB 3.41Å; F95-N106 HydrophobicContact CZ-CB 3.81Å; F95-V109 HydrophobicContact CE1-CG1 4.45Å; F95-V109 HydrophobicContact CZ-CG1 4.4Å; F95-V110 HydrophobicContact CE2-CG2 3.87Å; F95-V110 HydrophobicContact CZ-CG2 3.68Å; F95-L113 HydrophobicContact CZ-CD1 4.46Å
96K91.2Very high94.4Very high183 Ų18355.8 Ų55.880%0.79627%0.268SS*.SBendtrans68-46-171.4-52.6170.7-175.9167.50113.7T92T92-K96 WeakPolarHBondContact CG2-O 3.3Å; T92-K96 CarbonylContact O-C 3.54Å; T92-K96 WeakPolarHBondContact O-CA 3.46Å; T92-K96 PolarHBondContact O-N 3.43Å
97E92.6Very high94.2Very high134 Ų13460 Ų6063%0.62629%0.287SS*.SBendtrans-125.6136.3175-66.7179.6170.500108.8F95 S102F95-E97 WeakPolarHBondContact CB-O 3.38Å; F95-E97 PolarHBondContact O-N 2.99Å; E97-S102 WeakPolarHBondContact O-CB 3.21Å; E97-S102 PolarHBondContact O-OG 3.18Å
98L95.3Very high94Very high4 Ų463.4 Ų63.42%0.02131%0.308CS..  trans-109.198-179.8176.258.5000109.5L65 V88 F91 I103L65-L98 HydrophobicContact CD1-CD1 3.82Å; L65-L98 HydrophobicContact CD1-CG 3.85Å; V88-L98 HydrophobicContact CB-CD2 4.18Å; V88-L98 HydrophobicContact CG1-CD2 4.06Å; V88-L98 HydrophobicContact CG2-CD2 4.07Å; F91-L98 HydrophobicContact CB-CD1 3.9Å; F91-L98 HydrophobicContact CB-CD2 3.95Å; F91-L98 HydrophobicContact CB-CG 4.4Å; F91-L98 HydrophobicContact CD2-CD1 3.97Å; F91-L98 HydrophobicContact CD2-CD2 4.29Å; F91-L98 HydrophobicContact CG-CD1 4.43Å; L98-I103 HydrophobicContact CD1-CD1 3.77Å; L98-I103 HydrophobicContact CD1-CG1 4.23Å
99E95.7Very high93.7Very high79 Ų7963.4 Ų63.437%0.36931%0.308SS..SBendtrans-134.8177.4178.3-57.5-168.7171.400110.4N64 E101 S102 I103N64-E99 WeakPolarHBondContact OD1-CA 3.09Å; N64-E99 WeakPolarHBondContact OD1-CB 3.49Å; E99-E101 VanDerWaalsContact C-N 3.32Å; E99-E101 PolarHBondContact O-N 2.92Å; E99-S102 PolarHBondContact N-OG 2.95Å; E99-S102 WeakPolarHBondContact O-CB 3.37Å; E99-S102 PolarHBondContact O-N 2.88Å; E99-I103 PolarHBondContact O-N 2.8Å
100E95Very high93.8Very high57 Ų5759.4 Ų59.427%0.26629%0.289SS..Hα-helixtrans-53.5-45.1177179.8175.217000113.2L16 N64 L65 S102 I103 Q104L16-E100 HydrophobicContact CD1-CB 4.21Å; L16-E100 HydrophobicContact CD1-CG 3.83Å; L16-E100 HydrophobicContact CD2-CG 3.9Å; N64-E100 PolarHBondContact OD1-N 3.23Å; L65-E100 HydrophobicContact CD2-CB 4.21Å; E100-S102 PolarHBondContact O-N 2.82Å; E100-I103 PolarHBondContact O-N 3.42Å; E100-Q104 WeakPolarHBondContact O-CG 3.32Å; E100-Q104 PolarHBondContact O-N 2.9Å; E100-Q104 VanDerWaalsContact O-N 3.15Å; E100-Q104 PolarHBondContact OE1-NE2 2.82Å
101E93.6Very high93.7Very high131 Ų13164 Ų6461%0.61231%0.307SS*.Hα-helixtrans-61.7-42.1178.3-172.3173.2-169.900111.4E99 I103 Q104 D105E99-E101 VanDerWaalsContact C-N 3.32Å; E99-E101 PolarHBondContact O-N 2.92Å; E101-I103 VanDerWaalsContact C-N 3.26Å; E101-I103 PolarHBondContact O-N 2.86Å; E101-Q104 PolarHBondContact O-N 3.2Å; E101-Q104 VanDerWaalsContact O-N 3.15Å; E101-D105 WeakPolarHBondContact O-CB 3.17Å; E101-D105 PolarHBondContact O-N 3.35Å
102S94.1Very high93.6Very high21 Ų2168.3 Ų68.315%0.14733%0.327CS..Hα-helixtrans-56.4-39.4177.4-46.20000112.4E97 E99 E100 N106E97-S102 WeakPolarHBondContact O-CB 3.21Å; E97-S102 PolarHBondContact O-OG 3.18Å; E99-S102 PolarHBondContact N-OG 2.95Å; E99-S102 WeakPolarHBondContact O-CB 3.37Å; E99-S102 PolarHBondContact O-N 2.88Å; E100-S102 PolarHBondContact O-N 2.82Å; S102-N106 WeakPolarHBondContact O-CB 3.36Å; S102-N106 PolarHBondContact O-N 3.28Å; S102-N106 PolarHBondContact O-ND2 3.32Å
103I94.7Very high93.7Very high4 Ų466.1 Ų66.12%0.02131%0.313CS..Hα-helixtrans-73.1-43.2178.7-60.9-61.1000111.3V8 L16 I17 L65 F91 L98 E99 E100 E101 F107 V110V8-I103 HydrophobicContact CG1-CG1 4.39Å; L16-I103 HydrophobicContact CB-CG2 4.04Å; I17-I103 HydrophobicContact CB-CG2 4.21Å; I17-I103 HydrophobicContact CG2-CG2 3.94Å; L65-I103 HydrophobicContact CD1-CG1 4.17Å; F91-I103 HydrophobicContact CD2-CD1 4.1Å; F91-I103 HydrophobicContact CE2-CD1 4.17Å; L98-I103 HydrophobicContact CD1-CD1 3.77Å; L98-I103 HydrophobicContact CD1-CG1 4.23Å; E99-I103 PolarHBondContact O-N 2.8Å; E100-I103 PolarHBondContact O-N 3.42Å; E101-I103 VanDerWaalsContact C-N 3.26Å; E101-I103 PolarHBondContact O-N 2.86Å; I103-F107 PolarHBondContact O-N 2.73Å; I103-V110 HydrophobicContact CD1-CG1 4.32Å; I103-V110 HydrophobicContact CD1-CG2 4.13Å
104Q93.5Very high93.9Very high98 Ų9862.3 Ų62.346%0.45830%0.296SS..Hα-helixtrans-66.7-44.3-177.8-69.1-179.812.300111.8E100 E101 N106E100-Q104 WeakPolarHBondContact O-CG 3.32Å; E100-Q104 PolarHBondContact O-N 2.9Å; E100-Q104 VanDerWaalsContact O-N 3.15Å; E100-Q104 PolarHBondContact OE1-NE2 2.82Å; E101-Q104 PolarHBondContact O-N 3.2Å; E101-Q104 VanDerWaalsContact O-N 3.15Å; Q104-N106 VanDerWaalsContact C-N 3.33Å; Q104-N106 PolarHBondContact O-N 2.9Å
105D92.5Very high93.9Very high114 Ų11465.4 Ų65.461%0.6131%0.313SS*.Hα-helixtrans-72.9-26-177.5-73.3-10.9000113.1E101E101-D105 WeakPolarHBondContact O-CB 3.17Å; E101-D105 PolarHBondContact O-N 3.35Å
106N93Very high94Very high47 Ų4767 Ų6725%0.25132%0.321SS..THydrogen-bonded Turntrans-114.423.5-174.4-58.3-83.9000113.7F95 S102 Q104 V108 V109 V110F95-N106 HydrophobicContact CD1-CB 4.08Å; F95-N106 HydrophobicContact CE1-CB 3.41Å; F95-N106 VanDerWaalsContact CE1-CB 3.41Å; F95-N106 HydrophobicContact CZ-CB 3.81Å; S102-N106 WeakPolarHBondContact O-CB 3.36Å; S102-N106 PolarHBondContact O-N 3.28Å; S102-N106 PolarHBondContact O-ND2 3.32Å; Q104-N106 VanDerWaalsContact C-N 3.33Å; Q104-N106 PolarHBondContact O-N 2.9Å; N106-V108 PolarHBondContact O-N 3.09Å; N106-V109 PolarHBondContact O-N 2.88Å; N106-V110 HydrophobicContact CB-CG2 4.39Å; N106-V110 WeakPolarHBondContact O-CG2 3.44Å; N106-V110 PolarHBondContact O-N 2.64Å
107F92.9Very high94.2Very high122 Ų12258.3 Ų58.354%0.53528%0.283SS..Hα-helixtrans-51.2-36.8-170.181-87.6000114.5I103 V110 Y111I103-F107 PolarHBondContact O-N 2.73Å; F107-V110 PolarHBondContact O-N 3.12Å; F107-Y111 HydrophobicContact CD2-CD2 4.34Å; F107-Y111 VanDerWaalsContact O-CD2 3.29Å; F107-Y111 WeakPolarHBondContact O-CD2 3.3Å; F107-Y111 PolarHBondContact O-N 2.77Å
108V92.3Very high94.3Very high73 Ų7352 Ų5244%0.44225%0.254SS..Hα-helixtrans-62.4-52.8178.7-179.30000110.7N106 V110 Y111 E112N106-V108 PolarHBondContact O-N 3.09Å; V108-V110 VanDerWaalsContact C-N 3.3Å; V108-V110 PolarHBondContact O-N 2.9Å; V108-Y111 PolarHBondContact O-N 2.76Å; V108-E112 PolarHBondContact O-N 2.92Å
109V92.8Very high94.3Very high13 Ų1357 Ų578%0.07928%0.28CS..Hα-helixtrans-64.4-38.2-179.6178.60000110.4Y94 F95 N106 Y111 E112 L113 I135 Q137Y94-V109 HydrophobicContact CD1-CG1 4.12Å; Y94-V109 HydrophobicContact CE1-CG1 4.24Å; F95-V109 HydrophobicContact CE1-CG1 4.45Å; F95-V109 HydrophobicContact CZ-CG1 4.4Å; N106-V109 PolarHBondContact O-N 2.88Å; V109-Y111 VanDerWaalsContact C-N 3.34Å; V109-Y111 PolarHBondContact O-N 2.72Å; V109-E112 PolarHBondContact O-N 2.87Å; V109-L113 HydrophobicContact CG1-CD1 3.97Å; V109-L113 HydrophobicContact CG1-CG 4.25Å; V109-L113 WeakPolarHBondContact O-CB 3.28Å; V109-L113 VanDerWaalsContact O-CG 3.24Å; V109-L113 WeakPolarHBondContact O-CG 3.13Å; V109-L113 PolarHBondContact O-N 2.93Å; V109-I135 HydrophobicContact CG1-CG2 4.19Å; V109-Q137 HydrophobicContact CG1-CG 4.47Å; V109-Q137 HydrophobicContact CG2-CG 4.4Å
110V95.5Very high94.2Very high0 Ų058.2 Ų58.20%029%0.285CS..Hα-helixtrans-62.6-41.2176.7-177.50000111.1I17 F91 F95 I103 N106 F107 V108 L113 L114I17-V110 HydrophobicContact CD1-CB 3.9Å; I17-V110 HydrophobicContact CD1-CG1 3.56Å; I17-V110 HydrophobicContact CG2-CG1 4.18Å; F91-V110 HydrophobicContact CE1-CG1 4.31Å; F91-V110 HydrophobicContact CE2-CG1 3.92Å; F91-V110 HydrophobicContact CZ-CG1 3.59Å; F95-V110 HydrophobicContact CE2-CG2 3.87Å; F95-V110 HydrophobicContact CZ-CG2 3.68Å; I103-V110 HydrophobicContact CD1-CG1 4.32Å; I103-V110 HydrophobicContact CD1-CG2 4.13Å; N106-V110 HydrophobicContact CB-CG2 4.39Å; N106-V110 WeakPolarHBondContact O-CG2 3.44Å; N106-V110 PolarHBondContact O-N 2.64Å; F107-V110 PolarHBondContact O-N 3.12Å; V108-V110 VanDerWaalsContact C-N 3.3Å; V108-V110 PolarHBondContact O-N 2.9Å; V110-L113 PolarHBondContact O-N 3Å; V110-L114 HydrophobicContact CG1-CD1 4.22Å; V110-L114 HydrophobicContact CG1-CG 4.47Å; V110-L114 WeakPolarHBondContact O-CB 3.29Å; V110-L114 VanDerWaalsContact O-CG 3.31Å; V110-L114 WeakPolarHBondContact O-CG 3.23Å; V110-L114 PolarHBondContact O-N 3.41Å
111Y94.8Very high94.1Very high98 Ų9855.5 Ų55.538%0.38427%0.272SS..Hα-helixtrans-64-45.6174.2-89.9-64.1000112.5I17 C18 F107 V108 V109 L113 L114 D115I17-Y111 HydrophobicContact CD1-CD1 4.1Å; I17-Y111 HydrophobicContact CD1-CD2 3.67Å; I17-Y111 HydrophobicContact CD1-CE1 4.06Å; I17-Y111 HydrophobicContact CD1-CE2 3.61Å; I17-Y111 HydrophobicContact CD1-CG 3.9Å; I17-Y111 HydrophobicContact CG1-CD1 4.45Å; I17-Y111 HydrophobicContact CG1-CD2 4.29Å; I17-Y111 HydrophobicContact CG1-CE1 3.91Å; I17-Y111 HydrophobicContact CG1-CE2 3.72Å; I17-Y111 VanDerWaalsContact CG1-CZ 3.5Å; C18-Y111 WeakPolarHBondContact O-CE1 3.36Å; F107-Y111 HydrophobicContact CD2-CD2 4.34Å; F107-Y111 VanDerWaalsContact O-CD2 3.29Å; F107-Y111 WeakPolarHBondContact O-CD2 3.3Å; F107-Y111 PolarHBondContact O-N 2.77Å; V108-Y111 PolarHBondContact O-N 2.76Å; V109-Y111 VanDerWaalsContact C-N 3.34Å; V109-Y111 PolarHBondContact O-N 2.72Å; Y111-L113 VanDerWaalsContact C-N 3.3Å; Y111-L113 PolarHBondContact O-N 2.95Å; Y111-L114 PolarHBondContact O-N 3.14Å; Y111-D115 PolarHBondContact O-N 3.13Å
112E94.4Very high94.1Very high90 Ų9053.7 Ų53.742%0.42126%0.262SS..Hα-helixtrans-59.4-42.7176.5-70.1178.3176.500111.4V108 V109 D115 E116 I135V108-E112 PolarHBondContact O-N 2.92Å; V109-E112 PolarHBondContact O-N 2.87Å; E112-D115 PolarHBondContact O-N 2.73Å; E112-E116 PolarHBondContact O-N 3.03Å; E112-I135 HydrophobicContact CB-CG2 4.02Å
113L95.8Very high94.1Very high0 Ų054.6 Ų54.60%027%0.268CS..Hα-helixtrans-63.9-46.8175.4-72.6172.4000111.7V90 F91 Y94 F95 V109 V110 Y111 D115 E116 L117 L131 I135V90-L113 HydrophobicContact CG1-CD2 4.27Å; F91-L113 HydrophobicContact CD1-CD1 3.88Å; F91-L113 HydrophobicContact CE1-CB 3.94Å; F91-L113 HydrophobicContact CE1-CD1 3.8Å; Y94-L113 HydrophobicContact CD1-CD1 4.19Å; Y94-L113 HydrophobicContact CD2-CD1 4.27Å; Y94-L113 HydrophobicContact CE1-CD1 4.34Å; Y94-L113 HydrophobicContact CE1-CD2 4.24Å; Y94-L113 HydrophobicContact CE2-CD1 4.4Å; Y94-L113 HydrophobicContact CE2-CD2 3.89Å; Y94-L113 HydrophobicContact CG-CD1 4.14Å; F95-L113 HydrophobicContact CZ-CD1 4.46Å; V109-L113 HydrophobicContact CG1-CD1 3.97Å; V109-L113 HydrophobicContact CG1-CG 4.25Å; V109-L113 WeakPolarHBondContact O-CB 3.28Å; V109-L113 VanDerWaalsContact O-CG 3.24Å; V109-L113 WeakPolarHBondContact O-CG 3.13Å; V109-L113 PolarHBondContact O-N 2.93Å; V110-L113 PolarHBondContact O-N 3Å; Y111-L113 VanDerWaalsContact C-N 3.3Å; Y111-L113 PolarHBondContact O-N 2.95Å; L113-D115 PolarHBondContact O-N 3.3Å; L113-E116 PolarHBondContact O-N 2.82Å; L113-L117 HydrophobicContact CB-CD1 4.21Å; L113-L117 WeakPolarHBondContact O-CB 3.4Å; L113-L117 WeakPolarHBondContact O-CD1 3.34Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 3.2Å; L113-L131 HydrophobicContact CD2-CB 4.44Å; L113-L131 HydrophobicContact CD2-CD1 4.12Å; L113-I135 HydrophobicContact CD2-CD1 4.12Å; L113-I135 HydrophobicContact CD2-CG2 4.04Å; L113-I135 HydrophobicContact CG-CG2 4.18Å
114L96.3Very high94.1Very high2 Ų259.5 Ų59.51%0.0129%0.291CS..Hα-helixtrans-61.7-33179.1-73.5175.3000112.3I17 R19 Y21 I87 F91 V110 Y111I17-L114 HydrophobicContact CD1-CD1 4.29Å; I17-L114 HydrophobicContact CG2-CD1 4.47Å; R19-L114 HydrophobicContact CB-CB 4.2Å; R19-L114 HydrophobicContact CB-CD1 4Å; R19-L114 HydrophobicContact CG-CB 4.27Å; Y21-L114 WeakPolarHBondContact CE1-O 3.12Å; Y21-L114 PolarHBondContact OH-O 2.89Å; I87-L114 HydrophobicContact CD1-CD2 4.25Å; F91-L114 HydrophobicContact CZ-CD2 4.08Å; F91-L114 HydrophobicContact CZ-CG 4.23Å; V110-L114 HydrophobicContact CG1-CD1 4.22Å; V110-L114 HydrophobicContact CG1-CG 4.47Å; V110-L114 WeakPolarHBondContact O-CB 3.29Å; V110-L114 VanDerWaalsContact O-CG 3.31Å; V110-L114 WeakPolarHBondContact O-CG 3.23Å; V110-L114 PolarHBondContact O-N 3.41Å; Y111-L114 PolarHBondContact O-N 3.14Å
115D94Very high94Very high78 Ų7855.9 Ų55.942%0.41728%0.275SS..Hα-helixtrans-69.9-39.7174.8-83.88.2000112.8R19 Y111 E112 L113R19-D115 IonicContact CZ-OD1 3.65Å; R19-D115 IonicContact CZ-OD2 3.69Å; R19-D115 IonicContact NE-OD1 3.8Å; R19-D115 PolarHBondContact NE-OD1 2.81Å; R19-D115 IonicContact NH2-OD1 2.79Å; R19-D115 PolarHBondContact NH2-OD1 3.42Å; R19-D115 IonicContact NH2-OD2 3.38Å; R19-D115 PolarHBondContact NH2-OD2 3.07Å; R19-D115 VanDerWaalsContact NH2-OD2 3.09Å; Y111-D115 PolarHBondContact O-N 3.13Å; E112-D115 PolarHBondContact O-N 2.73Å; L113-D115 PolarHBondContact O-N 3.3Å
116E93.9Very high94Very high59 Ų5952 Ų5228%0.27626%0.255SS..Hα-helixtrans-82.2-31-178-169.363.7-162.200112.9E112 L113 M118 L131 Y134 I135E112-E116 PolarHBondContact O-N 3.03Å; L113-E116 PolarHBondContact O-N 2.82Å; E116-M118 VanDerWaalsContact C-N 3.34Å; E116-M118 PolarHBondContact O-N 3.18Å; E116-L131 HydrophobicContact CB-CD2 4.27Å; E116-L131 HydrophobicContact CG-CD2 3.49Å; E116-L131 VanDerWaalsContact CG-CD2 3.49Å; E116-Y134 HydrophobicContact CG-CE2 3.87Å; E116-Y134 VanDerWaalsContact CG-OH 3.27Å; E116-Y134 WeakPolarHBondContact CG-OH 3.38Å; E116-Y134 PolarHBondContact OE1-OH 3.29Å; E116-I135 HydrophobicContact CB-CD1 3.62Å; E116-I135 HydrophobicContact CG-CD1 3.87Å
117L95.6Very high93.9Very high0 Ų051 Ų510%025%0.25CC..Hα-helixtrans-70.8-29.6-177.6-73.6168.4000112.4F83 I87 V90 F91 L113 P123 Q124 T125 T126 L131F83-L117 HydrophobicContact CE2-CB 4.08Å; F83-L117 WeakPolarHBondContact CE2-O 3.38Å; F83-L117 HydrophobicContact CZ-CB 3.79Å; I87-L117 HydrophobicContact CG1-CD1 4.25Å; V90-L117 HydrophobicContact CG1-CD1 4.47Å; V90-L117 HydrophobicContact CG1-CD2 4.4Å; V90-L117 HydrophobicContact CG2-CD2 4.13Å; F91-L117 HydrophobicContact CE1-CD1 4.34Å; L113-L117 HydrophobicContact CB-CD1 4.21Å; L113-L117 WeakPolarHBondContact O-CB 3.4Å; L113-L117 WeakPolarHBondContact O-CD1 3.34Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 3.2Å; L117-P123 CarbonylContact O-C 3.53Å; L117-P123 WeakPolarHBondContact O-CA 3.46Å; L117-Q124 PolarHBondContact O-N 3.17Å; L117-T125 WeakPolarHBondContact CD2-O 3.23Å; L117-T126 HydrophobicContact CD2-CG2 4.07Å; L117-L131 HydrophobicContact CD2-CD1 3.79Å; L117-L131 HydrophobicContact CG-CD1 4.47Å
118M95.5Very high93.8Very high3 Ų345.5 Ų45.52%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-148.8135.1-175.2174175.3-76.600111.8A3 I6 Y21 F83 E116 G121 F122 P123A3-M118 HydrophobicContact CB-CE 4.34Å; A3-M118 HydrophobicContact CB-SD 4.16Å; I6-M118 HydrophobicContact CD1-CE 4.32Å; I6-M118 HydrophobicContact CD1-SD 4.04Å; Y21-M118 HydrophobicContact CD1-CB 4.31Å; Y21-M118 HydrophobicContact CD1-CG 3.91Å; Y21-M118 WeakPolarHBondContact CD1-O 3.11Å; Y21-M118 HydrophobicContact CD1-SD 4.35Å; Y21-M118 HydrophobicContact CD2-CG 4.32Å; Y21-M118 HydrophobicContact CD2-SD 3.68Å; Y21-M118 HydrophobicContact CE1-CB 3.75Å; Y21-M118 HydrophobicContact CE1-CG 3.84Å; Y21-M118 WeakPolarHBondContact CE1-O 3.34Å; Y21-M118 HydrophobicContact CE1-SD 4.33Å; Y21-M118 HydrophobicContact CE2-CB 4.49Å; Y21-M118 HydrophobicContact CE2-CG 4.25Å; Y21-M118 HydrophobicContact CE2-SD 3.64Å; Y21-M118 HydrophobicContact CG-CG 4.14Å; Y21-M118 HydrophobicContact CG-SD 4.03Å; F83-M118 HydrophobicContact CD1-CE 3.29Å; F83-M118 HydrophobicContact CD2-CE 4.47Å; F83-M118 HydrophobicContact CE1-CB 4Å; F83-M118 HydrophobicContact CE1-CE 3.18Å; F83-M118 HydrophobicContact CE1-SD 3.96Å; F83-M118 HydrophobicContact CE2-CB 4.46Å; F83-M118 HydrophobicContact CE2-CE 4.4Å; F83-M118 HydrophobicContact CG-CE 3.96Å; F83-M118 HydrophobicContact CZ-CB 3.62Å; F83-M118 HydrophobicContact CZ-CE 3.8Å; E116-M118 VanDerWaalsContact C-N 3.34Å; E116-M118 PolarHBondContact O-N 3.18Å; M118-G121 VanDerWaalsContact SD-CA 3.54Å; M118-F122 WeakPolarHBondContact CA-O 3.48Å; M118-P123 HydrophobicContact CE-CG 3.95Å
119D94.8Very high93.6Very high107 Ų10745.3 Ų45.357%0.57222%0.219SC*.EExtended strand (participates in β ladder)trans-123.3130171.1-174.514.4000110G121 F122 Q124D119-G121 PolarHBondContact O-N 2.83Å; D119-F122 PolarHBondContact N-O 2.82Å; D119-F122 WeakPolarHBondContact O-CB 3.38Å; D119-F122 PolarHBondContact O-N 3.1Å; D119-Q124 HydrophobicContact CB-CG 3.93Å
120F94.3Very high93.5Very high106 Ų10645 Ų4547%0.46522%0.217SC..THydrogen-bonded Turntrans47.935.1179.7-161.4-113.2000114.6Y21 K22 F122Y21-F120 WeakPolarHBondContact O-CD2 3.29Å; K22-F120 HydrophobicContact CB-CE2 4.24Å; K22-F120 WeakPolarHBondContact CE-O 3.5Å; K22-F120 HydrophobicContact CG-CD2 3.94Å; K22-F120 HydrophobicContact CG-CE2 3.91Å; K22-F120 HydrophobicContact CG-CG 4.38Å; K22-F120 HydrophobicContact CG-CZ 4.33Å; F120-F122 HydrophobicContact CD1-CE2 4.13Å; F120-F122 WeakPolarHBondContact O-CD2 3.39Å
121G91.4Very high93.2Very high0 Ų045 Ų450%022%0.217CC..THydrogen-bonded Turntrans81.78.9-178.500000115.1S2 A3 M118 D119S2-G121 WeakPolarHBondContact CB-O 3.47Å; S2-G121 PolarHBondContact OG-O 2.88Å; A3-G121 VanDerWaalsContact O-CA 3.31Å; A3-G121 WeakPolarHBondContact O-CA 3.49Å; M118-G121 VanDerWaalsContact SD-CA 3.54Å; D119-G121 PolarHBondContact O-N 2.83Å
122F93.9Very high93Very high93 Ų9344.1 Ų44.141%0.40822%0.216SC..EExtended strand (participates in β ladder)trans-110119.3175.1-62.8-82.3000110M1 M118 D119 F120 Q124M1-F122 HydrophobicContact CG-CE2 4.33Å; M1-F122 HydrophobicContact CG-CZ 3.89Å; M118-F122 WeakPolarHBondContact CA-O 3.48Å; D119-F122 PolarHBondContact N-O 2.82Å; D119-F122 WeakPolarHBondContact O-CB 3.38Å; D119-F122 PolarHBondContact O-N 3.1Å; F120-F122 HydrophobicContact CD1-CE2 4.13Å; F120-F122 WeakPolarHBondContact O-CD2 3.39Å; F122-Q124 PolarHBondContact O-N 3.44Å; F122-Q124 PolarHBondContact O-NE2 3.23Å
123P95.4Very high92.6Very high40 Ų4044.4 Ų44.426%0.2622%0.217SC..EExtended strand (participates in β ladder)trans-55.8134.3172.6-26.436.6000111.6L79 F83 L117 M118 T126L79-P123 HydrophobicContact CD1-CG 4.08Å; F83-P123 HydrophobicContact CB-CG 4.14Å; F83-P123 HydrophobicContact CD2-CB 3.61Å; F83-P123 HydrophobicContact CD2-CG 3.52Å; F83-P123 HydrophobicContact CE2-CB 3.77Å; F83-P123 HydrophobicContact CE2-CG 4.02Å; F83-P123 HydrophobicContact CG-CB 4.42Å; F83-P123 HydrophobicContact CG-CG 3.83Å; L117-P123 CarbonylContact O-C 3.53Å; L117-P123 WeakPolarHBondContact O-CA 3.46Å; M118-P123 HydrophobicContact CE-CG 3.95Å; P123-T126 HydrophobicContact CB-CG2 4.47Å
124Q92.9Very high92.1Very high107 Ų10745.9 Ų45.950%0.522%0.223SC..  trans-109.9-105.2179.7-57.3-57.2-51.100109.8L117 D119 F122L117-Q124 PolarHBondContact O-N 3.17Å; D119-Q124 HydrophobicContact CB-CG 3.93Å; F122-Q124 PolarHBondContact O-N 3.44Å; F122-Q124 PolarHBondContact O-NE2 3.23Å
125T91.9Very high91.7Very high21 Ų2146.2 Ų46.213%0.12923%0.225CC..  trans-91.6108.2-177.1-53.40000109.9L117 L131 V153L117-T125 WeakPolarHBondContact CD2-O 3.23Å; T125-L131 HydrophobicContact CG2-CD2 3.74Å; T125-L131 HydrophobicContact CG2-CG 4.2Å; T125-V153 HydrophobicContact CG2-CG1 4.46Å; T125-V153 HydrophobicContact CG2-CG2 4.41Å; T125-V153 WeakPolarHBondContact OG1-CG1 3.41Å
126T93.1Very high91.2Very high32 Ų3246.4 Ų46.420%0.19623%0.229CC..  trans-1108.5-178.860.70000114.5F83 K86 V90 L117 P123 S128F83-T126 HydrophobicContact CD2-CG2 4.29Å; F83-T126 HydrophobicContact CE2-CG2 3.96Å; K86-T126 WeakPolarHBondContact CE-O 3.35Å; K86-T126 HydrophobicContact CG-CG2 4.16Å; V90-T126 WeakPolarHBondContact CG2-O 3.42Å; L117-T126 HydrophobicContact CD2-CG2 4.07Å; P123-T126 HydrophobicContact CB-CG2 4.47Å; T126-S128 PolarHBondContact O-N 2.9Å
127E91.6Very high90.1Very high28 Ų2848.2 Ų48.213%0.13124%0.238CC..  trans-87.297179.5-63.2-57.713400110.4K129 I130 L131 W159 Q240E127-K129 VanDerWaalsContact C-N 3.31Å; E127-K129 PolarHBondContact O-N 3.19Å; E127-I130 HydrophobicContact CB-CB 4.11Å; E127-I130 HydrophobicContact CB-CG1 3.85Å; E127-I130 WeakPolarHBondContact O-CA 3.33Å; E127-I130 WeakPolarHBondContact O-CB 3.48Å; E127-I130 PolarHBondContact O-N 2.89Å; E127-L131 WeakPolarHBondContact O-CG 3.41Å; E127-L131 PolarHBondContact O-N 2.91Å; E127-W159 HydrophobicContact CG-CB 4.45Å; E127-Q240 PolarHBondContact OE1-NE2 2.89Å
128S90.6Very high88.6Confident5 Ų555.8 Ų55.84%0.03527%0.273CS..Hα-helixtrans-43.1-49.317848.50000114.1E93 T126 I130 L131 Q132E93-S128 VanDerWaalsContact CD-OG 3.3Å; E93-S128 WeakPolarHBondContact OE2-CB 3.43Å; E93-S128 PolarHBondContact OE2-OG 2.45Å; T126-S128 PolarHBondContact O-N 2.9Å; S128-I130 PolarHBondContact O-N 2.94Å; S128-L131 WeakPolarHBondContact O-CB 3.27Å; S128-L131 PolarHBondContact O-N 3.46Å; S128-Q132 WeakPolarHBondContact O-CB 3.11Å; S128-Q132 VanDerWaalsContact O-CG 3.25Å; S128-Q132 WeakPolarHBondContact O-CG 3.31Å; S128-Q132 PolarHBondContact O-N 2.8Å
129K87.8Confident86.3Confident70 Ų7059.8 Ų59.830%0.30432%0.315SS..Hα-helixtrans-62.7-29.2-179.5-67.9178.3-175159.80113.3E127 D259 E261E127-K129 VanDerWaalsContact C-N 3.31Å; E127-K129 PolarHBondContact O-N 3.19Å; K129-D259 WeakPolarHBondContact CD-O 3.29Å; K129-D259 WeakPolarHBondContact CE-O 3.12Å; K129-D259 PolarHBondContact NZ-O 2.87Å; K129-E261 PolarHBondContact NZ-O 2.88Å
130I89.6Confident83.6Confident5 Ų558.2 Ų58.23%0.02632%0.317CS..Hα-helixtrans-83.2-41176.1-55-52.6000110.2E127 S128 Q132 E133 Y134 T152 V153 S158 S161E127-I130 HydrophobicContact CB-CB 4.11Å; E127-I130 HydrophobicContact CB-CG1 3.85Å; E127-I130 WeakPolarHBondContact O-CA 3.33Å; E127-I130 WeakPolarHBondContact O-CB 3.48Å; E127-I130 PolarHBondContact O-N 2.89Å; S128-I130 PolarHBondContact O-N 2.94Å; I130-Q132 PolarHBondContact O-N 2.8Å; I130-E133 WeakPolarHBondContact O-CB 3.4Å; I130-E133 PolarHBondContact O-N 2.81Å; I130-E133 VanDerWaalsContact O-N 3.1Å; I130-Y134 WeakPolarHBondContact O-CD1 3.49Å; I130-Y134 WeakPolarHBondContact O-CE1 3.2Å; I130-T152 HydrophobicContact CD1-CG2 3.79Å; I130-T152 HydrophobicContact CG1-CG2 4.23Å; I130-T152 HydrophobicContact CG2-CG2 4.44Å; I130-V153 HydrophobicContact CG2-CG2 3.78Å; I130-S158 WeakPolarHBondContact CG1-O 3.47Å; I130-S161 WeakPolarHBondContact CD1-OG 3.26Å
131L90.6Very high81.1Confident0 Ų061.7 Ų61.70%033%0.332CS..Hα-helixtrans-56.6-38.9173.4-65.9172000111.2V90 Y94 L113 E116 L117 T125 E127 S128 E133 Y134 I135V90-L131 HydrophobicContact CG1-CD1 4.12Å; Y94-L131 HydrophobicContact CE2-CB 4.32Å; Y94-L131 VanDerWaalsContact OH-CB 3.25Å; Y94-L131 WeakPolarHBondContact OH-CB 3.37Å; Y94-L131 PolarHBondContact OH-O 2.97Å; L113-L131 HydrophobicContact CD2-CB 4.44Å; L113-L131 HydrophobicContact CD2-CD1 4.12Å; E116-L131 HydrophobicContact CB-CD2 4.27Å; E116-L131 HydrophobicContact CG-CD2 3.49Å; E116-L131 VanDerWaalsContact CG-CD2 3.49Å; L117-L131 HydrophobicContact CD2-CD1 3.79Å; L117-L131 HydrophobicContact CG-CD1 4.47Å; T125-L131 HydrophobicContact CG2-CD2 3.74Å; T125-L131 HydrophobicContact CG2-CG 4.2Å; E127-L131 WeakPolarHBondContact O-CG 3.41Å; E127-L131 PolarHBondContact O-N 2.91Å; S128-L131 WeakPolarHBondContact O-CB 3.27Å; S128-L131 PolarHBondContact O-N 3.46Å; L131-E133 PolarHBondContact O-N 3.08Å; L131-E133 VanDerWaalsContact O-N 3.1Å; L131-Y134 HydrophobicContact CD2-CE1 4.37Å; L131-Y134 WeakPolarHBondContact CD2-OH 3.28Å; L131-Y134 PolarHBondContact O-N 3.35Å; L131-Y134 VanDerWaalsContact O-N 3.11Å; L131-I135 HydrophobicContact CD2-CD1 4.27Å; L131-I135 PolarHBondContact O-N 2.8Å
132Q89.5Confident78.7Confident81 Ų8170.3 Ų70.338%0.37938%0.377SS..THydrogen-bonded Turntrans-63.1-16.8179.4-77.4173.3-4.400113.8Y94 S128 I130 Y134Y94-Q132 HydrophobicContact CD2-CG 4.3Å; Y94-Q132 HydrophobicContact CE1-CG 3.92Å; Y94-Q132 HydrophobicContact CE2-CG 3.63Å; Y94-Q132 VanDerWaalsContact CZ-CG 3.42Å; Y94-Q132 VanDerWaalsContact OH-CA 3.3Å; Y94-Q132 WeakPolarHBondContact OH-CA 3.38Å; Y94-Q132 PolarHBondContact OH-N 2.82Å; S128-Q132 WeakPolarHBondContact O-CB 3.11Å; S128-Q132 VanDerWaalsContact O-CG 3.25Å; S128-Q132 WeakPolarHBondContact O-CG 3.31Å; S128-Q132 PolarHBondContact O-N 2.8Å; I130-Q132 PolarHBondContact O-N 2.8Å; Q132-Y134 VanDerWaalsContact C-N 3.31Å
133E86.1Confident76.4Confident95 Ų9573.5 Ų73.544%0.44439%0.393SS..THydrogen-bonded Turntrans-73.5-23.2176.4-62.2-174.5-17500112.9I130 L131 P150 S161I130-E133 WeakPolarHBondContact O-CB 3.4Å; I130-E133 PolarHBondContact O-N 2.81Å; I130-E133 VanDerWaalsContact O-N 3.1Å; L131-E133 PolarHBondContact O-N 3.08Å; L131-E133 VanDerWaalsContact O-N 3.1Å; E133-P150 HydrophobicContact CB-CG 3.89Å; E133-P150 WeakPolarHBondContact OE2-CB 3.36Å; E133-P150 WeakPolarHBondContact OE2-CG 3.23Å; E133-S161 VanDerWaalsContact OE1-CB 3.23Å; E133-S161 WeakPolarHBondContact OE1-CB 3.15Å; E133-S161 PolarHBondContact OE1-OG 2.92Å; E133-S161 PolarHBondContact OE2-OG 3.15Å
134Y85.8Confident73.9Confident31 Ų3178.6 Ų78.612%0.12242%0.423CS..THydrogen-bonded Turntrans-135.9-13.4-175.665-82.9000115.5E116 I130 L131 Q132 P150 V153E116-Y134 HydrophobicContact CG-CE2 3.87Å; E116-Y134 VanDerWaalsContact CG-OH 3.27Å; E116-Y134 WeakPolarHBondContact CG-OH 3.38Å; E116-Y134 PolarHBondContact OE1-OH 3.29Å; I130-Y134 WeakPolarHBondContact O-CD1 3.49Å; I130-Y134 WeakPolarHBondContact O-CE1 3.2Å; L131-Y134 HydrophobicContact CD2-CE1 4.37Å; L131-Y134 WeakPolarHBondContact CD2-OH 3.28Å; L131-Y134 PolarHBondContact O-N 3.35Å; L131-Y134 VanDerWaalsContact O-N 3.11Å; Q132-Y134 VanDerWaalsContact C-N 3.31Å; Y134-P150 VanDerWaalsContact CD1-CD 3.42Å; Y134-P150 HydrophobicContact CD1-CG 3.82Å; Y134-P150 HydrophobicContact CE1-CG 4.33Å; Y134-V153 HydrophobicContact CE1-CG2 4.04Å
135I88.3Confident71.7Confident10 Ų1077 Ų775%0.05143%0.428CS..SBendtrans-111.497.7168.8-58.3178.3000107.2Y94 V109 E112 L113 E116 L131Y94-I135 HydrophobicContact CE1-CG2 4.48Å; Y94-I135 WeakPolarHBondContact CE1-O 3.49Å; Y94-I135 PolarHBondContact OH-O 3.39Å; Y94-I135 VanDerWaalsContact OH-O 3.13Å; V109-I135 HydrophobicContact CG1-CG2 4.19Å; E112-I135 HydrophobicContact CB-CG2 4.02Å; L113-I135 HydrophobicContact CD2-CD1 4.12Å; L113-I135 HydrophobicContact CD2-CG2 4.04Å; L113-I135 HydrophobicContact CG-CG2 4.18Å; E116-I135 HydrophobicContact CB-CD1 3.62Å; E116-I135 HydrophobicContact CG-CD1 3.87Å; L131-I135 HydrophobicContact CD2-CD1 4.27Å; L131-I135 PolarHBondContact O-N 2.8Å
136T82.1Confident69.7Low82 Ų8285.9 Ų85.950%0.50347%0.465SS..  trans-111.9141.4-170.757.80000112.4
137Q72.4Confident67.9Low97 Ų9787.6 Ų87.645%0.45348%0.479SS..SBendtrans-73.9-23.9176.6-69.8174-15.400114Y94 V109 G139Y94-Q137 VanDerWaalsContact C-NE2 3.32Å; Y94-Q137 HydrophobicContact CD1-CG 4.27Å; Y94-Q137 PolarHBondContact O-NE2 3.4Å; V109-Q137 HydrophobicContact CG1-CG 4.47Å; V109-Q137 HydrophobicContact CG2-CG 4.4Å; Q137-G139 PolarHBondContact O-N 2.79Å
138E62.2Low66.9Low158 Ų15895.4 Ų95.474%0.73851%0.512SS*.  trans-82.1114-178.5-67.3-173.8174.800110.8A140E138-A140 PolarHBondContact O-N 3.14Å
139G48.2Very low66.1Low87 Ų8799 Ų9990%0.89753%0.534SS*.  trans-66.120173.500000115.5Q137Q137-G139 PolarHBondContact O-N 2.79Å
140A39Very low65.7Low74 Ų7496.6 Ų96.661%0.61253%0.525SS*.  trans-11474.8-171.500000112.4E138E138-A140 PolarHBondContact O-N 3.14Å
141K40.9Very low65.4Low180 Ų180100.6 Ų100.678%0.78355%0.55SS*.  167.783.9129.1-91.2169.5-176.5177.30109.6E143K141-E143 PolarHBondContact O-N 2.9Å
142L41.3Very low65Low180 Ų180100.8 Ų100.894%0.94255%0.551SS**  trans-66.620.4158.5-96.9154.9000113.3
143E44.4Very low64.6Low160 Ų16098.6 Ų98.675%0.74854%0.543SS*.SBendtrans-122.6102.4175.8-71.3-103.7144.500108.3K141K141-E143 PolarHBondContact O-N 2.9Å
144V44.5Very low64.5Low147 Ų14799.7 Ų99.789%0.89156%0.557SS**SBendtrans8037.2164.4-151.40000118.5
145A45.8Very low64.4Low74 Ų74101.5 Ų101.561%0.61257%0.568SS**  trans-131.491.9154.800000110.5S147A145-S147 PolarHBondContact O-N 2.82Å
146K49.6Very low64.3Low208 Ų208105.9 Ų105.990%0.90461%0.606SS**  trans-6086.9134.9-73.8179.3176.8-179.80104.2K148K146-K148 VanDerWaalsContact C-N 3.3Å; K146-K148 PolarHBondContact O-N 2.86Å
147S56.4Low64.7Low68 Ų68103.5 Ų103.548%0.47659%0.591SS.*  trans-57.1100.4178.839.80000105.9A145 V149A145-S147 PolarHBondContact O-N 2.82Å; S147-V149 PolarHBondContact O-N 2.7Å; S147-V149 VanDerWaalsContact O-N 3.13Å
148K69.3Low65.6Low191 Ų191100.7 Ų100.783%0.8358%0.582SS**  trans-62.9120.4173.6-75.1-178.2177.4179.50104.9K146 P150K146-K148 VanDerWaalsContact C-N 3.3Å; K146-K148 PolarHBondContact O-N 2.86Å; K148-P150 VanDerWaalsContact O-N 3.16Å
149V74.8Confident67Low81 Ų8194.7 Ų94.749%0.49155%0.553SS.*  trans-45124.8171.9-179.50000107.7S147 T151 V153S147-V149 PolarHBondContact O-N 2.7Å; S147-V149 VanDerWaalsContact O-N 3.13Å; V149-T151 PolarHBondContact O-N 3.23Å; V149-V153 HydrophobicContact CG1-CB 3.76Å; V149-V153 HydrophobicContact CG1-CG1 4.03Å; V149-V153 HydrophobicContact CG1-CG2 3.73Å
150P78.4Confident69.2Low19 Ų1990.7 Ų90.712%0.12351%0.51CS..  trans-53.7138.5-179.4-25.933.1000110.3E133 Y134 K148 T152 V153E133-P150 HydrophobicContact CB-CG 3.89Å; E133-P150 WeakPolarHBondContact OE2-CB 3.36Å; E133-P150 WeakPolarHBondContact OE2-CG 3.23Å; Y134-P150 VanDerWaalsContact CD1-CD 3.42Å; Y134-P150 HydrophobicContact CD1-CG 3.82Å; Y134-P150 HydrophobicContact CE1-CG 4.33Å; K148-P150 VanDerWaalsContact O-N 3.16Å; P150-T152 PolarHBondContact O-N 2.87Å; P150-T152 VanDerWaalsContact O-N 3.07Å; P150-V153 HydrophobicContact CB-CG2 4.45Å; P150-V153 WeakPolarHBondContact O-CB 3.47Å; P150-V153 PolarHBondContact O-N 2.8Å
151T83.2Confident71.6Confident89 Ų8987.7 Ų87.755%0.54649%0.485SS..Hα-helixtrans-59.3-22.8175.249.90000111.7V149 V153 T154 N155V149-T151 PolarHBondContact O-N 3.23Å; T151-V153 PolarHBondContact O-N 2.95Å; T151-T154 PolarHBondContact O-N 3.14Å; T151-T154 VanDerWaalsContact O-N 3.11Å; T151-T154 PolarHBondContact O-OG1 3.43Å; T151-N155 WeakPolarHBondContact O-CB 3.34Å; T151-N155 PolarHBondContact O-N 3.13Å; T151-N155 PolarHBondContact O-ND2 2.98Å
152T83.4Confident73.9Confident4 Ų485.7 Ų85.73%0.02548%0.479CS..Hα-helixtrans-52.6-37.3171.5-43.50000112.5I130 P150 T154 N155 V157 S158 S161I130-T152 HydrophobicContact CD1-CG2 3.79Å; I130-T152 HydrophobicContact CG1-CG2 4.23Å; I130-T152 HydrophobicContact CG2-CG2 4.44Å; P150-T152 PolarHBondContact O-N 2.87Å; P150-T152 VanDerWaalsContact O-N 3.07Å; T152-T154 VanDerWaalsContact C-N 3.26Å; T152-T154 PolarHBondContact O-N 3.32Å; T152-N155 PolarHBondContact O-N 3.18Å; T152-V157 WeakPolarHBondContact CG2-O 3.49Å; T152-S158 WeakPolarHBondContact O-CA 3.43Å; T152-S161 WeakPolarHBondContact OG1-CA 3.35Å; T152-S161 PolarHBondContact OG1-OG 2.8Å
153V80.4Confident76.2Confident35 Ų3580 Ų8021%0.21246%0.464CS..Hα-helixtrans-62.6-34-179.8177.40000111.9T125 I130 Y134 V149 P150 T151T125-V153 HydrophobicContact CG2-CG1 4.46Å; T125-V153 HydrophobicContact CG2-CG2 4.41Å; T125-V153 WeakPolarHBondContact OG1-CG1 3.41Å; I130-V153 HydrophobicContact CG2-CG2 3.78Å; Y134-V153 HydrophobicContact CE1-CG2 4.04Å; V149-V153 HydrophobicContact CG1-CB 3.76Å; V149-V153 HydrophobicContact CG1-CG1 4.03Å; V149-V153 HydrophobicContact CG1-CG2 3.73Å; P150-V153 HydrophobicContact CB-CG2 4.45Å; P150-V153 WeakPolarHBondContact O-CB 3.47Å; P150-V153 PolarHBondContact O-N 2.8Å; T151-V153 PolarHBondContact O-N 2.95Å
154T83.6Confident78.5Confident119 Ų11974 Ų7473%0.7344%0.436SS*.Hα-helixtrans-101.4-6-17957.10000113.7T151 T152T151-T154 PolarHBondContact O-N 3.14Å; T151-T154 VanDerWaalsContact O-N 3.11Å; T151-T154 PolarHBondContact O-OG1 3.43Å; T152-T154 VanDerWaalsContact C-N 3.26Å; T152-T154 PolarHBondContact O-N 3.32Å
155N85Confident80.9Confident69 Ų6975.7 Ų75.737%0.36943%0.432SS..SBendtrans-79.5155.3179.8-83.1-22.3000112.1T151 T152 V157T151-N155 WeakPolarHBondContact O-CB 3.34Å; T151-N155 PolarHBondContact O-N 3.13Å; T151-N155 PolarHBondContact O-ND2 2.98Å; T152-N155 PolarHBondContact O-N 3.18Å; N155-V157 PolarHBondContact O-N 3.16Å
156A85Confident83.2Confident101 Ų10175.8 Ų75.884%0.83542%0.417SS*.SBendtrans-63.4-19.9172.400000113.4
157V90.9Very high85.3Confident33 Ų3376.4 Ų76.420%0.242%0.419CS..  trans-106.194.6170.3179.80000107T152 N155 W159 R160 M207 I256T152-V157 WeakPolarHBondContact CG2-O 3.49Å; N155-V157 PolarHBondContact O-N 3.16Å; V157-W159 HydrophobicContact CB-CZ2 4.49Å; V157-W159 HydrophobicContact CG1-CD2 4.31Å; V157-W159 HydrophobicContact CG1-CZ2 4Å; V157-W159 HydrophobicContact CG2-CZ2 4.41Å; V157-R160 HydrophobicContact CG1-CB 4.19Å; V157-M207 HydrophobicContact CB-CE 4.28Å; V157-M207 HydrophobicContact CG1-CE 3.76Å; V157-I256 HydrophobicContact CG1-CG2 4.38Å; V157-I256 HydrophobicContact CG2-CD1 4.03Å
158S91.4Very high87.1Confident37 Ų3780.4 Ų80.426%0.25943%0.428SS..  trans-94.2-0.2-17355.60000114.5I130 T152I130-S158 WeakPolarHBondContact CG1-O 3.47Å; T152-S158 WeakPolarHBondContact O-CA 3.43Å
159W92.5Very high88.3Confident32 Ų3272.5 Ų72.512%0.12140%0.395CS..SBendtrans-115.63.5-173.555.578.2000113.7E127 V157 Q240 C241 I256 P258E127-W159 HydrophobicContact CG-CB 4.45Å; V157-W159 HydrophobicContact CB-CZ2 4.49Å; V157-W159 HydrophobicContact CG1-CD2 4.31Å; V157-W159 HydrophobicContact CG1-CZ2 4Å; V157-W159 HydrophobicContact CG2-CZ2 4.41Å; W159-Q240 HydrophobicContact CD2-CG 4.25Å; W159-Q240 VanDerWaalsContact CE3-CD 3.5Å; W159-Q240 HydrophobicContact CE3-CG 3.66Å; W159-Q240 HydrophobicContact CZ3-CB 4.39Å; W159-Q240 HydrophobicContact CZ3-CG 4.01Å; W159-C241 HydrophobicContact CD2-CB 4.1Å; W159-C241 VanDerWaalsContact CE2-CB 3.44Å; W159-C241 HydrophobicContact CG-CB 4.42Å; W159-C241 HydrophobicContact CZ2-CB 3.73Å; W159-C241 VanDerWaalsContact NE1-CB 3.34Å; W159-I256 PolarHBondContact NE1-O 2.56Å; W159-P258 HydrophobicContact CB-CG 4.21Å; W159-P258 HydrophobicContact CG-CG 4.2Å; W159-P258 WeakPolarHBondContact O-CA 3.44Å
160R93.8Very high89.3Confident3 Ų370.6 Ų70.61%0.01138%0.381CS..  trans-149.1119.9-179.7-171.8-173.6-175.368.79.5111.5V157 I164 L204 G206 M207 P257 D259V157-R160 HydrophobicContact CG1-CB 4.19Å; R160-I164 HydrophobicContact CG-CD1 3.91Å; R160-L204 PolarHBondContact NH2-O 2.93Å; R160-G206 PolarHBondContact NE-O 3.48Å; R160-G206 PolarHBondContact NH2-O 2.76Å; R160-M207 HydrophobicContact CB-CE 4.26Å; R160-M207 HydrophobicContact CB-SD 4.3Å; R160-M207 VanDerWaalsContact CD-SD 3.52Å; R160-M207 HydrophobicContact CG-CE 4.33Å; R160-M207 HydrophobicContact CG-SD 3.74Å; R160-P257 VanDerWaalsContact CD-O 3.23Å; R160-P257 WeakPolarHBondContact CD-O 3.41Å; R160-P257 PolarHBondContact NH1-O 3.42Å; R160-D259 IonicContact CZ-OD1 3.9Å; R160-D259 IonicContact NH1-OD1 2.76Å; R160-D259 PolarHBondContact NH1-OD1 2.87Å; R160-D259 VanDerWaalsContact NH1-OD1 3.09Å; R160-D259 IonicContact NH2-OD1 3.09Å
161S89.5Confident90.2Very high12 Ų1269.7 Ų69.78%0.08438%0.375CS..  trans-78.8149.8175.9-62.50000113I130 E133 T152 I164I130-S161 WeakPolarHBondContact CD1-OG 3.26Å; E133-S161 VanDerWaalsContact OE1-CB 3.23Å; E133-S161 WeakPolarHBondContact OE1-CB 3.15Å; E133-S161 PolarHBondContact OE1-OG 2.92Å; E133-S161 PolarHBondContact OE2-OG 3.15Å; T152-S161 WeakPolarHBondContact OG1-CA 3.35Å; T152-S161 PolarHBondContact OG1-OG 2.8Å; S161-I164 VanDerWaalsContact O-CD1 3.24Å; S161-I164 WeakPolarHBondContact O-CD1 3.31Å; S161-I164 WeakPolarHBondContact O-CG1 3.34Å
162E89.3Confident90.9Very high137 Ų13768.5 Ų68.564%0.6436%0.362SS*.THydrogen-bonded Turntrans-73157.3174.7-62.9-170.5168.100111.5I164 M207E162-I164 PolarHBondContact O-N 2.9Å; E162-M207 HydrophobicContact CG-CG 4.18Å; E162-M207 HydrophobicContact CG-SD 4.35Å
163G89.3Confident91.6Very high61 Ų6168.5 Ų68.563%0.62936%0.362SS*.THydrogen-bonded Turntrans841.5172.800000116.1K165G163-K165 PolarHBondContact O-N 2.84Å
164I92.6Very high92.4Very high33 Ų3368.3 Ų68.317%0.16936%0.36CS..  trans-55.9132.1172.5-61.9168.3000110R160 S161 E162 Y166 L204 S205 G206 D259R160-I164 HydrophobicContact CG-CD1 3.91Å; S161-I164 VanDerWaalsContact O-CD1 3.24Å; S161-I164 WeakPolarHBondContact O-CD1 3.31Å; S161-I164 WeakPolarHBondContact O-CG1 3.34Å; E162-I164 PolarHBondContact O-N 2.9Å; I164-Y166 HydrophobicContact CG2-CD2 3.85Å; I164-Y166 HydrophobicContact CG2-CE2 3.42Å; I164-Y166 VanDerWaalsContact CG2-CE2 3.42Å; I164-L204 WeakPolarHBondContact CG2-O 3.16Å; I164-S205 CarbonylContact O-C 3.48Å; I164-S205 VanDerWaalsContact O-CA 3.23Å; I164-S205 WeakPolarHBondContact O-CA 3.36Å; I164-G206 PolarHBondContact O-N 2.8Å; I164-D259 HydrophobicContact CD1-CB 3.8Å
165K94.4Very high93.1Very high183 Ų18362.7 Ų62.780%0.79633%0.325SS*.  trans-137.1130.8-179.6-72.8179.1-174.7176.50111.2G163G163-K165 PolarHBondContact O-N 2.84Å
166Y94.7Very high93.7Very high77 Ų7760.4 Ų60.430%0.30231%0.313SS..  trans-119.8144.1173.8-74.3-87.4000110.6I164 K168 M203 L204 S205 D259I164-Y166 HydrophobicContact CG2-CD2 3.85Å; I164-Y166 HydrophobicContact CG2-CE2 3.42Å; I164-Y166 VanDerWaalsContact CG2-CE2 3.42Å; Y166-K168 VanDerWaalsContact C-N 3.28Å; Y166-K168 WeakPolarHBondContact CB-O 3.21Å; Y166-M203 HydrophobicContact CD1-CB 3.73Å; Y166-M203 HydrophobicContact CD1-CG 4.23Å; Y166-M203 VanDerWaalsContact CD2-C 3.44Å; Y166-M203 HydrophobicContact CD2-CB 4.35Å; Y166-M203 HydrophobicContact CE1-CB 3.69Å; Y166-M203 HydrophobicContact CE1-CG 3.77Å; Y166-M203 HydrophobicContact CE1-SD 4.41Å; Y166-M203 HydrophobicContact CE2-CB 4.31Å; Y166-M203 HydrophobicContact CG-CB 4.06Å; Y166-L204 VanDerWaalsContact CD2-N 3.32Å; Y166-L204 WeakPolarHBondContact CD2-O 3.49Å; Y166-S205 PolarHBondContact N-OG 3Å; Y166-S205 PolarHBondContact O-OG 3.46Å; Y166-D259 WeakPolarHBondContact CE2-OD1 3.38Å; Y166-D259 PolarHBondContact OH-OD2 2.78Å
167K93.1Very high94.2Very high220 Ų22055.6 Ų55.696%0.95727%0.273SS*.SBendtrans-66.2-33.7172.5-67.7-177.1-179177.40111.8
168K93.9Very high94.5Very high152 Ų15255.2 Ų55.266%0.66127%0.272SS*.SBendtrans-129126.4176.6-68.6-174.3176.6-1760108.5Y166Y166-K168 VanDerWaalsContact C-N 3.28Å; Y166-K168 WeakPolarHBondContact CB-O 3.21Å
169N95.9Very high94.7Very high25 Ų2553.5 Ų53.513%0.13426%0.26CS..  trans-93.8110.7179.7-61.7-72.4000109.3M203 L204 S205 Y403 A405 L406N169-M203 CarbonylContact C-O 3.57Å; N169-M203 VanDerWaalsContact CA-O 3.25Å; N169-M203 WeakPolarHBondContact CA-O 3.33Å; N169-L204 HydrophobicContact CB-CD2 3.92Å; N169-S205 WeakPolarHBondContact OD1-CB 3.44Å; N169-S205 PolarHBondContact OD1-N 2.88Å; N169-S205 PolarHBondContact OD1-OG 3.25Å; N169-Y403 HydrophobicContact CB-CD2 3.69Å; N169-Y403 HydrophobicContact CB-CE2 3.58Å; N169-Y403 HydrophobicContact CB-CG 4.5Å; N169-A405 HydrophobicContact CB-CB 3.86Å; N169-A405 VanDerWaalsContact O-CA 3.25Å; N169-A405 WeakPolarHBondContact O-CA 3.38Å; N169-A405 WeakPolarHBondContact O-CB 3.45Å; N169-L406 PolarHBondContact O-N 2.77Å
170E95.8Very high94.8Very high41 Ų4153.3 Ų53.319%0.19226%0.261CS..EExtended strand (participates in β ladder)trans-137.7147.3-174.5-63.9-178.5151.100110.5F172 M203E170-F172 HydrophobicContact CB-CE2 3.82Å; E170-F172 HydrophobicContact CB-CZ 4.28Å; E170-M203 HydrophobicContact CB-CE 4.11Å; E170-M203 PolarHBondContact N-O 3.22Å; E170-M203 PolarHBondContact O-N 3.39Å
171V96.9Very high94.8Very high0 Ų053.3 Ų53.30%026%0.261CS..EExtended strand (participates in β ladder)trans-129.5123.4174.2-178.20000108I173 L200 K201 T202 L204 L210 I397 L406 P407 W408V171-I173 HydrophobicContact CG1-CG1 4.19Å; V171-L200 HydrophobicContact CG1-CD2 4.49Å; V171-K201 WeakPolarHBondContact CA-O 3.49Å; V171-T202 HydrophobicContact CG1-CG2 3.89Å; V171-T202 HydrophobicContact CG2-CG2 4.22Å; V171-L204 HydrophobicContact CG2-CD1 3.62Å; V171-L204 HydrophobicContact CG2-CD2 3.75Å; V171-L204 HydrophobicContact CG2-CG 3.79Å; V171-L210 HydrophobicContact CG2-CD2 4.47Å; V171-I397 HydrophobicContact CG2-CD1 3.86Å; V171-L406 PolarHBondContact N-O 2.73Å; V171-L406 VanDerWaalsContact N-O 3.14Å; V171-P407 CarbonylContact O-C 3.54Å; V171-P407 WeakPolarHBondContact O-CA 3.2Å; V171-W408 PolarHBondContact O-N 3.47Å
172F97.6Very high95.1Very high65 Ų6554.4 Ų54.429%0.28527%0.266SS..EExtended strand (participates in β ladder)trans-104.6134.5171.8-55.5-96.7000109.2E170 L200 K201 M203 W408E170-F172 HydrophobicContact CB-CE2 3.82Å; E170-F172 HydrophobicContact CB-CZ 4.28Å; F172-L200 CarbonylContact O-C 3.59Å; F172-L200 WeakPolarHBondContact O-CA 3.16Å; F172-K201 HydrophobicContact CB-CB 4.14Å; F172-K201 HydrophobicContact CD2-CB 4.38Å; F172-K201 PolarHBondContact N-O 3.47Å; F172-K201 PolarHBondContact O-N 2.99Å; F172-M203 HydrophobicContact CD2-CE 4.29Å; F172-M203 HydrophobicContact CE2-CE 3.52Å; F172-M203 HydrophobicContact CZ-CE 4.44Å; F172-W408 CarbonylContact C-O 3.56Å; F172-W408 HydrophobicContact CD1-CB 3.6Å; F172-W408 AromaticContact CD1-CD1 3.86Å; F172-W408 AromaticContact CD1-CG 3.86Å; F172-W408 HydrophobicContact CD1-CG 3.86Å; F172-W408 HydrophobicContact CE1-CB 3.99Å; F172-W408 AromaticContact CE1-CD1 3.47Å; F172-W408 VanDerWaalsContact CE1-CD1 3.47Å; F172-W408 HydrophobicContact CE1-CD2 4.46Å; F172-W408 AromaticContact CE1-CG 3.71Å; F172-W408 HydrophobicContact CE1-CG 3.71Å; F172-W408 HydrophobicContact CG-CB 4.35Å; F172-W408 AromaticContact CZ-CD1 3.81Å; F172-W408 HydrophobicContact CZ-CG 4.48Å
173I97.9Very high95.3Very high3 Ų348 Ų482%0.01524%0.237CC..EExtended strand (participates in β ladder)trans-119.9114.8-178-50.7169.1000107.5V171 V175 I198 L200 V392 M395 W408 V409 R410V171-I173 HydrophobicContact CG1-CG1 4.19Å; I173-V175 HydrophobicContact CG2-CG2 4.19Å; I173-I198 HydrophobicContact CG2-CG2 3.67Å; I173-L200 HydrophobicContact CB-CD2 4.2Å; I173-L200 HydrophobicContact CG1-CD2 3.75Å; I173-L200 HydrophobicContact CG2-CD2 4.05Å; I173-V392 HydrophobicContact CD1-CG1 4.16Å; I173-V392 HydrophobicContact CG2-CG2 4.29Å; I173-M395 HydrophobicContact CD1-CB 4.12Å; I173-M395 HydrophobicContact CD1-CE 3.52Å; I173-M395 HydrophobicContact CD1-CG 4.4Å; I173-M395 HydrophobicContact CG1-CE 4.12Å; I173-W408 WeakPolarHBondContact CB-O 3.35Å; I173-W408 PolarHBondContact N-O 3.49Å; I173-V409 HydrophobicContact CB-CB 4.27Å; I173-V409 HydrophobicContact CB-CG2 4.19Å; I173-V409 HydrophobicContact CG2-CG2 4.33Å; I173-V409 VanDerWaalsContact O-CA 3.29Å; I173-V409 WeakPolarHBondContact O-CA 3.44Å; I173-R410 PolarHBondContact O-N 2.84Å
174D97.6Very high95.4Very high32 Ų3246.8 Ų46.817%0.17122%0.216CC..EExtended strand (participates in β ladder)trans-103.6109.8175.1-73.1-4.9000108.5I176 I198 K199 R410D174-I176 HydrophobicContact CB-CD1 4.33Å; D174-I176 HydrophobicContact CB-CG1 4.23Å; D174-I198 WeakPolarHBondContact O-CA 3.39Å; D174-K199 HydrophobicContact CB-CB 4.27Å; D174-K199 PolarHBondContact N-O 3.04Å; D174-K199 PolarHBondContact O-N 2.81Å; D174-R410 WeakPolarHBondContact OD1-CD 3.44Å; D174-R410 WeakPolarHBondContact OD1-CG 3.24Å; D174-R410 IonicContact OD1-CZ 2.85Å; D174-R410 IonicContact OD1-NE 4Å; D174-R410 PolarHBondContact OD1-NE 2.99Å; D174-R410 IonicContact OD1-NH2 3.38Å; D174-R410 IonicContact OD2-CZ 3.2Å; D174-R410 IonicContact OD2-NE 3.61Å; D174-R410 PolarHBondContact OD2-NE 3.06Å; D174-R410 IonicContact OD2-NH2 3Å; D174-R410 PolarHBondContact OD2-NH2 3.48Å
175V97.8Very high95.1Very high0 Ų046.8 Ų46.80%022%0.22CC..EExtended strand (participates in β ladder)trans-95.1104.4172.8-176.50000107.7I173 I198 I390 V392 V409 R410 Y411 I412I173-V175 HydrophobicContact CG2-CG2 4.19Å; V175-I198 HydrophobicContact CG2-CG1 4.43Å; V175-I390 HydrophobicContact CG1-CG2 3.74Å; V175-V392 HydrophobicContact CG2-CG2 3.85Å; V175-V409 HydrophobicContact CG2-CG2 4.22Å; V175-R410 PolarHBondContact N-O 3.36Å; V175-Y411 HydrophobicContact CB-CD1 3.58Å; V175-Y411 HydrophobicContact CB-CE1 3.92Å; V175-Y411 HydrophobicContact CB-CG 4.48Å; V175-Y411 HydrophobicContact CG1-CD1 3.87Å; V175-Y411 HydrophobicContact CG1-CE1 4.16Å; V175-Y411 HydrophobicContact CG2-CD1 4.01Å; V175-Y411 HydrophobicContact CG2-CE1 3.83Å; V175-Y411 CarbonylContact O-C 3.55Å; V175-Y411 WeakPolarHBondContact O-CA 3.44Å; V175-I412 PolarHBondContact O-N 3.35Å
176I97.7Very high94.7Very high22 Ų2244.5 Ų44.511%0.11322%0.217CC..EExtended strand (participates in β ladder)trans-109.6121.3-174.6-53.3172.7000108.5D174 G196 S197 K199 I412 Q414D174-I176 HydrophobicContact CB-CD1 4.33Å; D174-I176 HydrophobicContact CB-CG1 4.23Å; I176-G196 CarbonylContact O-C 3.47Å; I176-G196 VanDerWaalsContact O-CA 3.26Å; I176-G196 WeakPolarHBondContact O-CA 3.12Å; I176-S197 PolarHBondContact N-O 3.29Å; I176-S197 PolarHBondContact O-N 3.42Å; I176-K199 HydrophobicContact CD1-CD 4.05Å; I176-K199 HydrophobicContact CD1-CG 4.46Å; I176-I412 CarbonylContact C-O 3.55Å; I176-I412 VanDerWaalsContact CA-O 3.31Å; I176-I412 WeakPolarHBondContact CA-O 3.21Å; I176-I412 HydrophobicContact CG1-CB 4.47Å; I176-Q414 HydrophobicContact CG2-CG 4.18Å
177E96.5Very high94.2Very high0 Ų042.5 Ų42.50%022%0.219CC..EExtended strand (participates in β ladder)trans-108.8120.3174.6-69.5-167.8150.100110.4I194 Y267 T386 V387 S388 I412 T413 Q414E177-I194 HydrophobicContact CB-CG2 3.87Å; E177-I194 HydrophobicContact CG-CG2 4.01Å; E177-Y267 WeakPolarHBondContact CG-OH 3.29Å; E177-Y267 PolarHBondContact OE1-OH 2.87Å; E177-T386 WeakPolarHBondContact OE2-CA 3.24Å; E177-V387 PolarHBondContact OE2-N 3.34Å; E177-S388 WeakPolarHBondContact OE1-CB 3.25Å; E177-S388 PolarHBondContact OE1-OG 3.41Å; E177-S388 PolarHBondContact OE2-N 3.13Å; E177-I412 PolarHBondContact N-O 2.75Å; E177-T413 CarbonylContact O-C 3.52Å; E177-T413 WeakPolarHBondContact O-CA 3.42Å; E177-Q414 PolarHBondContact O-N 2.89Å
178S96.5Very high94Very high25 Ų2534.8 Ų34.818%0.17519%0.193CC..EExtended strand (participates in β ladder)trans-98.9121.7172-540000109.1V195 Q414S178-V195 PolarHBondContact N-O 2.96Å; S178-V195 PolarHBondContact O-N 2.83Å; S178-Q414 WeakPolarHBondContact CA-O 3.12Å; S178-Q414 PolarHBondContact OG-NE2 2.88Å
179I95.4Very high93.9Very high1 Ų129.8 Ų29.81%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-93118.3-179.6-52.8176.5000109.6V181 L276 F380 V387 T413 Q414 G416 Y418I179-V181 HydrophobicContact CG2-CG2 3.7Å; I179-L276 HydrophobicContact CD1-CD1 3.35Å; I179-L276 HydrophobicContact CD1-CG 3.63Å; I179-F380 HydrophobicContact CD1-CE2 4.47Å; I179-F380 HydrophobicContact CD1-CZ 4.12Å; I179-V387 HydrophobicContact CD1-CG2 3.5Å; I179-V387 VanDerWaalsContact CD1-CG2 3.5Å; I179-V387 HydrophobicContact CG1-CG2 4.06Å; I179-T413 HydrophobicContact CD1-CG2 3.59Å; I179-T413 HydrophobicContact CG1-CG2 3.92Å; I179-Q414 PolarHBondContact N-O 2.96Å; I179-G416 PolarHBondContact O-N 3.25Å; I179-Y418 HydrophobicContact CG2-CD2 4.39Å; I179-Y418 HydrophobicContact CG2-CE2 4.39Å
180N95Very high93.7Very high27 Ų2733.6 Ų33.614%0.14419%0.194CC..EExtended strand (participates in β ladder)trans-95.9125.4168.3-58.8-28.7000108.2S192 D193 V195 G416 D417N180-S192 VanDerWaalsContact O-CA 3.28Å; N180-S192 WeakPolarHBondContact O-CA 3.49Å; N180-D193 PolarHBondContact N-O 2.93Å; N180-D193 PolarHBondContact ND2-OD2 3.29Å; N180-D193 PolarHBondContact O-N 3.11Å; N180-V195 WeakPolarHBondContact ND2-CG2 3.46Å; N180-G416 WeakPolarHBondContact OD1-CA 3.42Å; N180-D417 CarbonylContact C-O 3.54Å; N180-D417 WeakPolarHBondContact CA-O 3.41Å; N180-D417 HydrophobicContact CB-CB 4.41Å; N180-D417 PolarHBondContact OD1-N 3.3Å
181V94.3Very high93.5Very high3 Ų334.2 Ų34.22%0.01820%0.202CC..EExtended strand (participates in β ladder)trans-140.8130.2177.7164.30000108.2I179 V183 S191 P275 D417 Y418 Q419I179-V181 HydrophobicContact CG2-CG2 3.7Å; V181-V183 HydrophobicContact CG1-CG2 3.59Å; V181-S191 WeakPolarHBondContact CA-O 3.47Å; V181-P275 HydrophobicContact CG1-CB 4.26Å; V181-P275 HydrophobicContact CG1-CG 3.93Å; V181-D417 PolarHBondContact N-O 3.37Å; V181-D417 VanDerWaalsContact O-O 3.1Å; V181-Y418 HydrophobicContact CB-CD2 4.04Å; V181-Y418 HydrophobicContact CB-CE2 4.08Å; V181-Y418 HydrophobicContact CG2-CD2 4.38Å; V181-Y418 HydrophobicContact CG2-CE2 4.14Å; V181-Q419 PolarHBondContact O-N 3.41Å
182L94.2Very high93.3Very high36 Ų3634.2 Ų34.219%0.18820%0.203CC..EExtended strand (participates in β ladder)trans-116.3114.5168.3-179.563.1000109.2M190 S191 Q419 R421L182-M190 HydrophobicContact CD2-CB 4.31Å; L182-M190 HydrophobicContact CD2-SD 4.27Å; L182-M190 HydrophobicContact CG-CB 4.31Å; L182-M190 PolarHBondContact O-N 2.97Å; L182-S191 PolarHBondContact N-O 2.85Å; L182-S191 PolarHBondContact O-N 2.96Å; L182-Q419 WeakPolarHBondContact CA-O 3.29Å; L182-Q419 HydrophobicContact CD1-CB 4.04Å; L182-R421 HydrophobicContact CD1-CG 4.26Å
183V93.4Very high93.1Very high3 Ų331.6 Ų31.62%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-102.3133.1173.9-168.40000108.8V181 P275 W278 Q419 L420 R421V181-V183 HydrophobicContact CG1-CG2 3.59Å; V183-P275 HydrophobicContact CG2-CG 4.35Å; V183-W278 HydrophobicContact CB-CZ3 4.48Å; V183-W278 HydrophobicContact CG1-CH2 3.52Å; V183-W278 HydrophobicContact CG1-CZ3 3.76Å; V183-W278 HydrophobicContact CG2-CH2 4.49Å; V183-W278 HydrophobicContact CG2-CZ3 3.89Å; V183-Q419 PolarHBondContact N-O 3.1Å; V183-L420 HydrophobicContact CB-CB 4.27Å; V183-L420 HydrophobicContact CB-CD2 4.16Å; V183-L420 HydrophobicContact CB-CG 4.08Å; V183-L420 HydrophobicContact CG2-CD2 3.85Å; V183-L420 HydrophobicContact CG2-CG 3.89Å; V183-R421 WeakPolarHBondContact O-CB 3.39Å; V183-R421 PolarHBondContact O-N 2.81Å
184N91.9Very high92.9Very high35 Ų3531.5 Ų31.519%0.18719%0.191CC..  trans-75.9172.2171.474.42.1000111.4N186 G187 S188 M190N184-N186 PolarHBondContact O-N 3.23Å; N184-N186 PolarHBondContact OD1-N 3.07Å; N184-N186 VanDerWaalsContact OD1-N 3.15Å; N184-G187 PolarHBondContact O-N 3.32Å; N184-G187 PolarHBondContact OD1-N 2.85Å; N184-G187 VanDerWaalsContact OD1-N 3.09Å; N184-S188 PolarHBondContact N-O 3.37Å; N184-S188 PolarHBondContact ND2-OG 3.37Å; N184-S188 PolarHBondContact OD1-N 3Å; N184-S188 PolarHBondContact OD1-O 3.39Å; N184-S188 PolarHBondContact OD1-OG 3.38Å; N184-M190 HydrophobicContact CB-CG 3.82Å; N184-M190 HydrophobicContact CB-SD 3.69Å
185A87.1Confident92.9Very high32 Ų3232.7 Ų32.726%0.26420%0.199SC..THydrogen-bonded Turntrans-69.7-16.5-177.200000114.4G187 R421 N423A185-G187 VanDerWaalsContact C-N 3.28Å; A185-R421 WeakPolarHBondContact CA-O 3.5Å; A185-R421 HydrophobicContact CB-CB 4.41Å; A185-N423 HydrophobicContact CB-CB 4.11Å; A185-N423 WeakPolarHBondContact CB-OD1 3.22Å; A185-N423 PolarHBondContact O-ND2 2.87Å
186N86.1Confident92.8Very high136 Ų13632.7 Ų32.773%0.72720%0.199SC*.THydrogen-bonded Turntrans-83.5-2.3172.7-63.1-14.5000112.8N184N184-N186 PolarHBondContact O-N 3.23Å; N184-N186 PolarHBondContact OD1-N 3.07Å; N184-N186 VanDerWaalsContact OD1-N 3.15Å
187G83.8Confident92.8Very high34 Ų3432.4 Ų32.435%0.35120%0.199SC..SBendtrans82.214.8-179.300000114.9N184 A185 W278N184-G187 PolarHBondContact O-N 3.32Å; N184-G187 PolarHBondContact OD1-N 2.85Å; N184-G187 VanDerWaalsContact OD1-N 3.09Å; A185-G187 VanDerWaalsContact C-N 3.28Å; G187-W278 VanDerWaalsContact O-CH2 3.22Å; G187-W278 WeakPolarHBondContact O-CH2 3.2Å
188S89.4Confident92.9Very high59 Ų5932.4 Ų32.441%0.41320%0.199SC..  trans-93.6137.317069.60000111.2N184 M190N184-S188 PolarHBondContact N-O 3.37Å; N184-S188 PolarHBondContact ND2-OG 3.37Å; N184-S188 PolarHBondContact OD1-N 3Å; N184-S188 PolarHBondContact OD1-O 3.39Å; N184-S188 PolarHBondContact OD1-OG 3.38Å; S188-M190 PolarHBondContact O-N 3.45Å
189V91Very high92.9Very high46 Ų4635.8 Ų35.828%0.27921%0.211SC..EExtended strand (participates in β ladder)trans-71.5116.2175.5-177.80000109.2P275V189-P275 HydrophobicContact CG2-CG 3.91Å
190M91.8Very high93Very high106 Ų10636 Ų3652%0.52221%0.212SC..EExtended strand (participates in β ladder)trans-84.2-44.6177.6-64.9-172.370.600112.1L182 N184 S188L182-M190 HydrophobicContact CD2-CB 4.31Å; L182-M190 HydrophobicContact CD2-SD 4.27Å; L182-M190 HydrophobicContact CG-CB 4.31Å; L182-M190 PolarHBondContact O-N 2.97Å; N184-M190 HydrophobicContact CB-CG 3.82Å; N184-M190 HydrophobicContact CB-SD 3.69Å; S188-M190 PolarHBondContact O-N 3.45Å
191S91.4Very high93.1Very high53 Ų5338.6 Ų38.637%0.37122%0.222SC..EExtended strand (participates in β ladder)trans-138.4140.7178.1-171.10000109.2V181 L182V181-S191 WeakPolarHBondContact CA-O 3.47Å; L182-S191 PolarHBondContact N-O 2.85Å; L182-S191 PolarHBondContact O-N 2.96Å
192S92.6Very high93.2Very high1 Ų138.5 Ų38.51%0.00722%0.221CC..EExtended strand (participates in β ladder)trans-147.4120.5170.1-174.10000109.3N180 N270 T271N180-S192 VanDerWaalsContact O-CA 3.28Å; N180-S192 WeakPolarHBondContact O-CA 3.49Å; S192-N270 PolarHBondContact O-OD1 3.43Å; S192-T271 PolarHBondContact OG-O 3.34Å
193D93.2Very high93.3Very high10 Ų1038.9 Ų38.95%0.05322%0.223CC..EExtended strand (participates in β ladder)trans-139.7151.1174.261.5-93.9000110.7N180 R268N180-D193 PolarHBondContact N-O 2.93Å; N180-D193 PolarHBondContact ND2-OD2 3.29Å; N180-D193 PolarHBondContact O-N 3.11Å; D193-R268 VanDerWaalsContact CG-NH2 3.33Å; D193-R268 IonicContact OD1-NH2 3.96Å; D193-R268 PolarHBondContact OD1-NH2 3.03Å; D193-R268 IonicContact OD2-CZ 3.49Å; D193-R268 IonicContact OD2-NE 3.25Å; D193-R268 IonicContact OD2-NH2 3.96Å; D193-R268 PolarHBondContact OD2-NH2 3.23Å
194I95.3Very high93.4Very high0 Ų038.8 Ų38.80%022%0.222CC..EExtended strand (participates in β ladder)trans-109.9119.7176.7-55.2166000106.5E177 R268 I269 T271 V273 V387E177-I194 HydrophobicContact CB-CG2 3.87Å; E177-I194 HydrophobicContact CG-CG2 4.01Å; I194-R268 WeakPolarHBondContact O-CA 3.44Å; I194-I269 HydrophobicContact CB-CB 4.32Å; I194-I269 PolarHBondContact N-O 2.94Å; I194-I269 PolarHBondContact O-N 3.31Å; I194-T271 HydrophobicContact CD1-CG2 4.13Å; I194-V273 HydrophobicContact CD1-CG2 3.83Å; I194-V273 HydrophobicContact CG1-CG2 4.12Å; I194-V387 HydrophobicContact CD1-CB 3.92Å; I194-V387 HydrophobicContact CD1-CG1 3.63Å; I194-V387 HydrophobicContact CG1-CG1 4.44Å
195V96.3Very high93.6Very high57 Ų5738 Ų3835%0.34522%0.219SC..EExtended strand (participates in β ladder)trans-102.2105.9169.8-179.90000107.4S178 N180S178-V195 PolarHBondContact N-O 2.96Å; S178-V195 PolarHBondContact O-N 2.83Å; N180-V195 WeakPolarHBondContact ND2-CG2 3.46Å
196G96.6Very high94Very high0 Ų037.4 Ų37.40%022%0.216CC..EExtended strand (participates in β ladder)trans-97.9149.5177.500000112.5I176 S266 Y267I176-G196 CarbonylContact O-C 3.47Å; I176-G196 VanDerWaalsContact O-CA 3.26Å; I176-G196 WeakPolarHBondContact O-CA 3.12Å; G196-S266 CarbonylContact O-C 3.6Å; G196-S266 WeakPolarHBondContact O-CA 3.32Å; G196-S266 WeakPolarHBondContact O-CB 3.46Å; G196-Y267 VanDerWaalsContact CA-CZ 3.45Å; G196-Y267 PolarHBondContact N-O 2.69Å; G196-Y267 PolarHBondContact O-N 2.9Å
197S97.5Very high94.4Very high16 Ų1633.4 Ų33.411%0.11219%0.194CC..EExtended strand (participates in β ladder)trans-135.6136.1175.4177.60000108.9I176 E263 M265I176-S197 PolarHBondContact N-O 3.29Å; I176-S197 PolarHBondContact O-N 3.42Å; S197-E263 WeakPolarHBondContact CB-OE1 3Å; S197-E263 PolarHBondContact OG-OE1 2.86Å; S197-M265 CarbonylContact C-O 3.57Å; S197-M265 WeakPolarHBondContact CA-O 3.46Å
198I97.9Very high95Very high0 Ų031.8 Ų31.80%018%0.177CC..EExtended strand (participates in β ladder)trans-108105171.7-55.4-171.9000107.5I173 D174 V175 L200 L212 L214 L264 M265 Y267I173-I198 HydrophobicContact CG2-CG2 3.67Å; D174-I198 WeakPolarHBondContact O-CA 3.39Å; V175-I198 HydrophobicContact CG2-CG1 4.43Å; I198-L200 HydrophobicContact CG2-CD2 4.45Å; I198-L212 HydrophobicContact CD1-CD2 4.1Å; I198-L214 HydrophobicContact CD1-CD1 4.06Å; I198-L214 HydrophobicContact CD1-CD2 4.12Å; I198-L264 WeakPolarHBondContact O-CB 3.22Å; I198-L264 PolarHBondContact O-N 3.46Å; I198-M265 HydrophobicContact CB-CG 3.8Å; I198-M265 HydrophobicContact CD1-CE 4.37Å; I198-M265 HydrophobicContact CD1-CG 3.87Å; I198-M265 HydrophobicContact CD1-SD 3.71Å; I198-M265 HydrophobicContact CG1-CG 3.86Å; I198-M265 HydrophobicContact CG1-SD 4.36Å; I198-M265 PolarHBondContact N-O 3.31Å; I198-Y267 HydrophobicContact CD1-CE1 4.45Å; I198-Y267 HydrophobicContact CG1-CE1 3.99Å
199K97.7Very high95.3Very high96 Ų9630.6 Ų30.642%0.41717%0.165SC..EExtended strand (participates in β ladder)trans-96.1139.3175.2-59-171.2179.4-170.60109.8D174 I176 S262 E263D174-K199 HydrophobicContact CB-CB 4.27Å; D174-K199 PolarHBondContact N-O 3.04Å; D174-K199 PolarHBondContact O-N 2.81Å; I176-K199 HydrophobicContact CD1-CD 4.05Å; I176-K199 HydrophobicContact CD1-CG 4.46Å; K199-S262 CarbonylContact C-O 3.49Å; K199-S262 WeakPolarHBondContact CA-O 3.49Å; K199-E263 HydrophobicContact CG-CB 4.45Å
200L97.5Very high95.6Very high5 Ų528.4 Ų28.43%0.02615%0.152CC..EExtended strand (participates in β ladder)trans-113.4142.4177.9-62.4-178000109.8V171 F172 I173 I198 T202 F255 E261 S262 L264 M395V171-L200 HydrophobicContact CG1-CD2 4.49Å; F172-L200 CarbonylContact O-C 3.59Å; F172-L200 WeakPolarHBondContact O-CA 3.16Å; I173-L200 HydrophobicContact CB-CD2 4.2Å; I173-L200 HydrophobicContact CG1-CD2 3.75Å; I173-L200 HydrophobicContact CG2-CD2 4.05Å; I198-L200 HydrophobicContact CG2-CD2 4.45Å; L200-T202 HydrophobicContact CB-CG2 4.26Å; L200-T202 HydrophobicContact CD1-CG2 4.49Å; L200-F255 HydrophobicContact CD1-CE2 3.53Å; L200-F255 HydrophobicContact CD1-CZ 3.72Å; L200-E261 CarbonylContact O-C 3.49Å; L200-E261 VanDerWaalsContact O-CA 3.28Å; L200-E261 WeakPolarHBondContact O-CA 3.35Å; L200-S262 PolarHBondContact N-O 3.24Å; L200-S262 PolarHBondContact O-N 2.82Å; L200-L264 HydrophobicContact CD1-CB 3.86Å; L200-L264 HydrophobicContact CD1-CD1 4.23Å; L200-L264 HydrophobicContact CD1-CD2 4.05Å; L200-L264 HydrophobicContact CD1-CG 4.25Å; L200-L264 HydrophobicContact CG-CB 3.95Å; L200-M395 HydrophobicContact CD2-CE 4.32Å
201K96.9Very high95.7Very high83 Ų8327.3 Ų27.336%0.36114%0.142SC..EExtended strand (participates in β ladder)trans-118.8105.1159.6-176.2175.9-170.2139.60108.2V171 F172 G260 E261V171-K201 WeakPolarHBondContact CA-O 3.49Å; F172-K201 HydrophobicContact CB-CB 4.14Å; F172-K201 HydrophobicContact CD2-CB 4.38Å; F172-K201 PolarHBondContact N-O 3.47Å; F172-K201 PolarHBondContact O-N 2.99Å; K201-G260 WeakPolarHBondContact CA-O 3.4Å; K201-E261 HydrophobicContact CB-CG 4.02Å; K201-E261 HydrophobicContact CD-CG 4.06Å; K201-E261 HydrophobicContact CG-CG 3.81Å; K201-E261 IonicContact NZ-OE1 2.91Å; K201-E261 PolarHBondContact NZ-OE1 3.31Å
202T96.1Very high95.9Very high0 Ų024.9 Ų24.90%013%0.125CC..EExtended strand (participates in β ladder)trans-106.3118.2-174.843.50000110.4V171 L200 L210 P257 P258 G260V171-T202 HydrophobicContact CG1-CG2 3.89Å; V171-T202 HydrophobicContact CG2-CG2 4.22Å; L200-T202 HydrophobicContact CB-CG2 4.26Å; L200-T202 HydrophobicContact CD1-CG2 4.49Å; T202-L210 HydrophobicContact CG2-CD2 4.46Å; T202-P257 HydrophobicContact CG2-CB 3.75Å; T202-P257 HydrophobicContact CG2-CG 4Å; T202-P258 PolarHBondContact OG1-O 3.11Å; T202-G260 PolarHBondContact N-O 2.79Å; T202-G260 PolarHBondContact O-N 2.82Å; T202-G260 PolarHBondContact OG1-O 3.19Å
203M96.3Very high96Very high45 Ų4525 Ų2522%0.22213%0.126CC..EExtended strand (participates in β ladder)trans-116.277.5171.5-67-176.9-60.500107Y166 N169 E170 F172Y166-M203 HydrophobicContact CD1-CB 3.73Å; Y166-M203 HydrophobicContact CD1-CG 4.23Å; Y166-M203 VanDerWaalsContact CD2-C 3.44Å; Y166-M203 HydrophobicContact CD2-CB 4.35Å; Y166-M203 HydrophobicContact CE1-CB 3.69Å; Y166-M203 HydrophobicContact CE1-CG 3.77Å; Y166-M203 HydrophobicContact CE1-SD 4.41Å; Y166-M203 HydrophobicContact CE2-CB 4.31Å; Y166-M203 HydrophobicContact CG-CB 4.06Å; N169-M203 CarbonylContact C-O 3.57Å; N169-M203 VanDerWaalsContact CA-O 3.25Å; N169-M203 WeakPolarHBondContact CA-O 3.33Å; E170-M203 HydrophobicContact CB-CE 4.11Å; E170-M203 PolarHBondContact N-O 3.22Å; E170-M203 PolarHBondContact O-N 3.39Å; F172-M203 HydrophobicContact CD2-CE 4.29Å; F172-M203 HydrophobicContact CE2-CE 3.52Å; F172-M203 HydrophobicContact CZ-CE 4.44Å
204L96Very high96Very high0 Ų024.9 Ų24.90%013%0.125CC..  trans-123.8139.8-172.4-67.5-178.2000111R160 I164 Y166 N169 V171 P208 L210 P257 I397 Y403 A405R160-L204 PolarHBondContact NH2-O 2.93Å; I164-L204 WeakPolarHBondContact CG2-O 3.16Å; Y166-L204 VanDerWaalsContact CD2-N 3.32Å; Y166-L204 WeakPolarHBondContact CD2-O 3.49Å; N169-L204 HydrophobicContact CB-CD2 3.92Å; V171-L204 HydrophobicContact CG2-CD1 3.62Å; V171-L204 HydrophobicContact CG2-CD2 3.75Å; V171-L204 HydrophobicContact CG2-CG 3.79Å; L204-P208 HydrophobicContact CB-CG 3.89Å; L204-P208 HydrophobicContact CD1-CB 4.25Å; L204-P208 HydrophobicContact CD1-CG 3.61Å; L204-P208 HydrophobicContact CG-CG 4.42Å; L204-L210 HydrophobicContact CD1-CD1 3.73Å; L204-L210 HydrophobicContact CD1-CD2 4.27Å; L204-P257 HydrophobicContact CD1-CG 4.38Å; L204-I397 HydrophobicContact CD1-CG2 4.39Å; L204-Y403 HydrophobicContact CD2-CE2 4.12Å; L204-A405 HydrophobicContact CD2-CB 3.86Å
205S95.7Very high95.7Very high18 Ų1825 Ų2513%0.12613%0.126CC..SBendtrans-82147.6175.4-520000110.9I164 Y166 N169 Y403I164-S205 CarbonylContact O-C 3.48Å; I164-S205 VanDerWaalsContact O-CA 3.23Å; I164-S205 WeakPolarHBondContact O-CA 3.36Å; Y166-S205 PolarHBondContact N-OG 3Å; Y166-S205 PolarHBondContact O-OG 3.46Å; N169-S205 WeakPolarHBondContact OD1-CB 3.44Å; N169-S205 PolarHBondContact OD1-N 2.88Å; N169-S205 PolarHBondContact OD1-OG 3.25Å; S205-Y403 PolarHBondContact N-OH 2.89Å; S205-Y403 WeakPolarHBondContact O-CE1 3.26Å; S205-Y403 PolarHBondContact O-OH 2.81Å
206G94.1Very high95.2Very high20 Ų2022.8 Ų22.821%0.20611%0.112CC..SBendtrans75.5-146.6175.500000114.1R160 I164 P208R160-G206 PolarHBondContact NE-O 3.48Å; R160-G206 PolarHBondContact NH2-O 2.76Å; I164-G206 PolarHBondContact O-N 2.8Å; G206-P208 VanDerWaalsContact C-CD 3.42Å; G206-P208 WeakPolarHBondContact O-CD 3.02Å
207M94.9Very high94.5Very high52 Ų5229.2 Ų29.226%0.25614%0.136SC..  trans-123.867.1-175.5-67.5-63-76.700110.2V157 R160 E162 I256 E399V157-M207 HydrophobicContact CB-CE 4.28Å; V157-M207 HydrophobicContact CG1-CE 3.76Å; R160-M207 HydrophobicContact CB-CE 4.26Å; R160-M207 HydrophobicContact CB-SD 4.3Å; R160-M207 VanDerWaalsContact CD-SD 3.52Å; R160-M207 HydrophobicContact CG-CE 4.33Å; R160-M207 HydrophobicContact CG-SD 3.74Å; E162-M207 HydrophobicContact CG-CG 4.18Å; E162-M207 HydrophobicContact CG-SD 4.35Å; M207-I256 HydrophobicContact CE-CG2 4.22Å; M207-E399 WeakPolarHBondContact CA-OE2 3.48Å; M207-E399 PolarHBondContact N-OE2 3.11Å
208P96.3Very high93.7Very high0 Ų031.7 Ų31.70%015%0.151CC..  trans-75.6136.7-168.930.6-37000111.2L204 G206 L210 P257 I397 I398 E399L204-P208 HydrophobicContact CB-CG 3.89Å; L204-P208 HydrophobicContact CD1-CB 4.25Å; L204-P208 HydrophobicContact CD1-CG 3.61Å; L204-P208 HydrophobicContact CG-CG 4.42Å; G206-P208 VanDerWaalsContact C-CD 3.42Å; G206-P208 WeakPolarHBondContact O-CD 3.02Å; P208-L210 HydrophobicContact CB-CD1 3.78Å; P208-L210 HydrophobicContact CG-CD1 3.94Å; P208-P257 HydrophobicContact CG-CG 4.45Å; P208-P257 WeakPolarHBondContact O-CD 3.08Å; P208-I397 HydrophobicContact CB-CG2 4.21Å; P208-I398 CarbonylContact C-O 3.57Å; P208-I398 WeakPolarHBondContact CA-O 3.37Å; P208-E399 WeakPolarHBondContact CA-OE2 3.48Å; P208-E399 HydrophobicContact CB-CB 4.23Å
209E95.9Very high92.7Very high35 Ų3533.2 Ų33.216%0.16416%0.159CC..EExtended strand (participates in β ladder)trans-86.2114.5166.5-176.6176.6133.400108.8R211 R243 R246 S254 I398E209-R211 IonicContact OE1-CZ 2.83Å; E209-R211 IonicContact OE1-NE 3.27Å; E209-R211 PolarHBondContact OE1-NE 3.18Å; E209-R211 IonicContact OE1-NH2 2.97Å; E209-R211 PolarHBondContact OE1-NH2 2.99Å; E209-R243 IonicContact OE1-NH1 3.66Å; E209-R243 IonicContact OE2-CZ 2.72Å; E209-R243 IonicContact OE2-NH1 2.61Å; E209-R243 PolarHBondContact OE2-NH1 2.84Å; E209-R243 IonicContact OE2-NH2 2.71Å; E209-R246 IonicContact OE1-CZ 3.23Å; E209-R246 IonicContact OE1-NH1 2.73Å; E209-R246 PolarHBondContact OE1-NH1 2.9Å; E209-R246 IonicContact OE2-NH1 3.63Å; E209-S254 PolarHBondContact OE1-OG 2.84Å; E209-I398 HydrophobicContact CB-CB 4.34Å; E209-I398 PolarHBondContact N-O 2.97Å; E209-I398 WeakPolarHBondContact O-CB 3.28Å; E209-I398 PolarHBondContact O-N 3.48Å
210L96.6Very high91.8Very high0 Ų029.3 Ų29.30%014%0.142CC..EExtended strand (participates in β ladder)trans-94146.3175.3-86.860.8000110.6V171 T202 L204 P208 S254 F255 P257 M395 K396 I397V171-L210 HydrophobicContact CG2-CD2 4.47Å; T202-L210 HydrophobicContact CG2-CD2 4.46Å; L204-L210 HydrophobicContact CD1-CD1 3.73Å; L204-L210 HydrophobicContact CD1-CD2 4.27Å; P208-L210 HydrophobicContact CB-CD1 3.78Å; P208-L210 HydrophobicContact CG-CD1 3.94Å; L210-S254 WeakPolarHBondContact O-CA 3.46Å; L210-F255 HydrophobicContact CB-CD1 4.35Å; L210-F255 HydrophobicContact CB-CD2 4.12Å; L210-F255 HydrophobicContact CB-CE1 3.97Å; L210-F255 HydrophobicContact CB-CE2 3.72Å; L210-F255 HydrophobicContact CB-CG 4.41Å; L210-F255 HydrophobicContact CB-CZ 3.63Å; L210-F255 HydrophobicContact CD2-CE2 3.76Å; L210-F255 HydrophobicContact CD2-CZ 3.92Å; L210-F255 HydrophobicContact CG-CE2 4.38Å; L210-F255 HydrophobicContact CG-CZ 4.43Å; L210-F255 PolarHBondContact N-O 2.81Å; L210-F255 PolarHBondContact O-N 2.83Å; L210-P257 HydrophobicContact CD1-CG 3.94Å; L210-P257 HydrophobicContact CD2-CB 4.44Å; L210-P257 HydrophobicContact CD2-CG 3.89Å; L210-P257 HydrophobicContact CG-CG 4.45Å; L210-M395 HydrophobicContact CB-SD 4.09Å; L210-M395 HydrophobicContact CD2-CE 4.49Å; L210-M395 HydrophobicContact CD2-SD 3.92Å; L210-M395 HydrophobicContact CG-SD 4.06Å; L210-K396 CarbonylContact C-O 3.56Å; L210-K396 VanDerWaalsContact CA-O 3.28Å; L210-K396 WeakPolarHBondContact CA-O 3.3Å; L210-I397 HydrophobicContact CD1-CG1 4.37Å; L210-I397 HydrophobicContact CD1-CG2 4.23Å; L210-I397 HydrophobicContact CG-CG1 4.22Å
211R95.9Very high90.8Very high82 Ų8231.9 Ų31.931%0.30916%0.164SC..EExtended strand (participates in β ladder)trans-131.8117.5168.6-53.8-176.1-174.1174.65.7110.7E209 I253 K396E209-R211 IonicContact OE1-CZ 2.83Å; E209-R211 IonicContact OE1-NE 3.27Å; E209-R211 PolarHBondContact OE1-NE 3.18Å; E209-R211 IonicContact OE1-NH2 2.97Å; E209-R211 PolarHBondContact OE1-NH2 2.99Å; R211-I253 CarbonylContact C-O 3.51Å; R211-I253 VanDerWaalsContact CA-O 3.27Å; R211-I253 WeakPolarHBondContact CA-O 3.45Å; R211-K396 HydrophobicContact CB-CB 4.23Å; R211-K396 PolarHBondContact N-O 3.31Å; R211-K396 PolarHBondContact O-N 3.29Å
212L95.6Very high89.8Confident3 Ų333.6 Ų33.62%0.01618%0.176CC..EExtended strand (participates in β ladder)trans-94.8129.8177.7176.565.8000109.9I198 L214 I253 F255 L264 M265 V392 M395I198-L212 HydrophobicContact CD1-CD2 4.1Å; L212-L214 HydrophobicContact CD1-CD2 4.23Å; L212-L214 HydrophobicContact CD2-CD1 4.45Å; L212-L214 HydrophobicContact CD2-CD2 4.19Å; L212-L214 HydrophobicContact CD2-CG 4.32Å; L212-L214 HydrophobicContact CG-CD2 4.16Å; L212-L214 HydrophobicContact CG-CG 4.24Å; L212-I253 HydrophobicContact CB-CB 4.16Å; L212-I253 HydrophobicContact CB-CG2 4.19Å; L212-I253 HydrophobicContact CD2-CD1 4.22Å; L212-I253 HydrophobicContact CG-CD1 4.48Å; L212-I253 PolarHBondContact N-O 3.49Å; L212-F255 HydrophobicContact CB-CE1 4.11Å; L212-L264 HydrophobicContact CD2-CD2 3.62Å; L212-M265 HydrophobicContact CD2-SD 4.49Å; L212-V392 HydrophobicContact CD1-CG1 3.66Å; L212-V392 HydrophobicContact CD1-CG2 4.32Å; L212-M395 HydrophobicContact CB-CE 4.13Å; L212-M395 HydrophobicContact CB-SD 4.38Å; L212-M395 HydrophobicContact CD1-CE 3.79Å; L212-M395 HydrophobicContact CG-CE 4.46Å
213G92.9Very high88.9Confident3 Ų337.2 Ų37.23%0.03120%0.198CC..EExtended strand (participates in β ladder)trans-111122.3173.100000111.3R393 Y394G213-R393 PolarHBondContact O-N 2.97Å; G213-Y394 PolarHBondContact N-O 3.08Å; G213-Y394 PolarHBondContact O-N 3Å
214L93.4Very high87.7Confident8 Ų838.3 Ų38.34%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-109.8165.9175.4-59.4176.2000110.8I198 L212 D216 M233 I253 M265 I390 Q391 V392I198-L214 HydrophobicContact CD1-CD1 4.06Å; I198-L214 HydrophobicContact CD1-CD2 4.12Å; L212-L214 HydrophobicContact CD1-CD2 4.23Å; L212-L214 HydrophobicContact CD2-CD1 4.45Å; L212-L214 HydrophobicContact CD2-CD2 4.19Å; L212-L214 HydrophobicContact CD2-CG 4.32Å; L212-L214 HydrophobicContact CG-CD2 4.16Å; L212-L214 HydrophobicContact CG-CG 4.24Å; L214-D216 PolarHBondContact O-N 3.19Å; L214-D216 VanDerWaalsContact O-N 3.11Å; L214-M233 HydrophobicContact CB-CE 4.37Å; L214-M233 HydrophobicContact CD1-CE 3.9Å; L214-I253 HydrophobicContact CD1-CD1 3.8Å; L214-I253 HydrophobicContact CG-CD1 4.29Å; L214-M265 HydrophobicContact CD1-CE 4.08Å; L214-M265 HydrophobicContact CD1-SD 3.97Å; L214-I390 HydrophobicContact CD1-CD1 4.33Å; L214-Q391 WeakPolarHBondContact CA-O 3.37Å; L214-V392 HydrophobicContact CD2-CG2 4Å
215N90.4Very high86.3Confident3 Ų345.3 Ų45.32%0.01625%0.248CC..  trans-81.347.6168.763.2-28.9000112.5R217 F220 K229 T230 V231 G389 I390 Q391N215-R217 PolarHBondContact O-N 3.48Å; N215-F220 HydrophobicContact CB-CE2 4.44Å; N215-F220 HydrophobicContact CB-CZ 4.4Å; N215-K229 PolarHBondContact ND2-O 3.49Å; N215-T230 WeakPolarHBondContact O-CA 3.38Å; N215-V231 PolarHBondContact O-N 3.26Å; N215-G389 PolarHBondContact ND2-O 2.98Å; N215-I390 WeakPolarHBondContact OD1-CA 3.45Å; N215-Q391 PolarHBondContact N-O 2.92Å; N215-Q391 PolarHBondContact OD1-N 2.79Å; N215-Q391 PolarHBondContact OD1-O 3.18Å
216D85.1Confident84.7Confident9 Ų949.8 Ų49.85%0.04827%0.27CS..BIsolated β-bridgetrans-65.3126176.51802.9000110.5L214 V218 L219 F220 M233 R251L214-D216 PolarHBondContact O-N 3.19Å; L214-D216 VanDerWaalsContact O-N 3.11Å; D216-V218 VanDerWaalsContact C-N 3.28Å; D216-V218 PolarHBondContact O-N 2.63Å; D216-V218 PolarHBondContact OD1-N 2.88Å; D216-L219 HydrophobicContact CB-CB 4.08Å; D216-L219 PolarHBondContact O-N 2.86Å; D216-F220 VanDerWaalsContact O-CD2 3.24Å; D216-F220 WeakPolarHBondContact O-CD2 3.39Å; D216-F220 PolarHBondContact O-N 2.95Å; D216-M233 HydrophobicContact CB-CE 4.33Å; D216-R251 IonicContact OD1-NH2 3.79Å; D216-R251 IonicContact OD2-CZ 2.81Å; D216-R251 IonicContact OD2-NE 3.64Å; D216-R251 PolarHBondContact OD2-NE 3.46Å; D216-R251 IonicContact OD2-NH2 3.88Å; D216-R251 PolarHBondContact OD2-NH2 2.86Å
217R82.4Confident83Confident135 Ų13559 Ų5951%0.50931%0.305SS..Hα-helixtrans-58.5-39.5177.8-171.1-178.7-179-178.4-3.8112.1N215 F220 A221 T230 V231 V232N215-R217 PolarHBondContact O-N 3.48Å; R217-F220 PolarHBondContact O-N 2.95Å; R217-A221 WeakPolarHBondContact O-CB 3.47Å; R217-A221 PolarHBondContact O-N 2.76Å; R217-T230 HydrophobicContact CB-CG2 4.46Å; R217-V231 WeakPolarHBondContact CB-O 3.47Å; R217-V231 PolarHBondContact N-O 2.84Å; R217-V232 HydrophobicContact CB-CG2 3.99Å; R217-V232 HydrophobicContact CG-CG2 4.28Å
218V79.5Confident81.6Confident69 Ų6958.9 Ų58.942%0.41832%0.316SS..Hα-helixtrans-65-45.6-177.5-178.20000110.2D216 F220 A221 L222 R251D216-V218 VanDerWaalsContact C-N 3.28Å; D216-V218 PolarHBondContact O-N 2.63Å; D216-V218 PolarHBondContact OD1-N 2.88Å; V218-F220 VanDerWaalsContact C-N 3.3Å; V218-F220 PolarHBondContact O-N 3.45Å; V218-A221 PolarHBondContact O-N 2.93Å; V218-L222 HydrophobicContact CG1-CD1 4.37Å; V218-L222 WeakPolarHBondContact O-CG 3.45Å; V218-L222 PolarHBondContact O-N 3.15Å; V218-R251 HydrophobicContact CG1-CG 4.1Å
219L77.8Confident80.6Confident31 Ų3165.2 Ų65.216%0.16234%0.344CS..Hα-helixtrans-60.1-39.9174.6178.166.8000112.1D216 L222 T223 D250 R251D216-L219 HydrophobicContact CB-CB 4.08Å; D216-L219 PolarHBondContact O-N 2.86Å; L219-L222 PolarHBondContact O-N 3.46Å; L219-T223 HydrophobicContact CD1-CG2 4.41Å; L219-T223 WeakPolarHBondContact O-CG2 3.45Å; L219-T223 PolarHBondContact O-N 2.82Å; L219-T223 VanDerWaalsContact O-N 3.11Å; L219-T223 PolarHBondContact O-OG1 3.05Å; L219-D250 VanDerWaalsContact CD1-O 3.29Å; L219-D250 WeakPolarHBondContact CD1-O 3.48Å; L219-R251 HydrophobicContact CB-CB 3.98Å; L219-R251 HydrophobicContact CB-CG 4.48Å; L219-R251 HydrophobicContact CD1-CB 4.02Å
220F78.4Confident80Confident14 Ų1465.3 Ų65.36%0.06135%0.347CS..Hα-helixtrans-70.9-37.7-179.8-87.7-127000112.5N215 D216 R217 V218 T223 G224 R225 T230N215-F220 HydrophobicContact CB-CE2 4.44Å; N215-F220 HydrophobicContact CB-CZ 4.4Å; D216-F220 VanDerWaalsContact O-CD2 3.24Å; D216-F220 WeakPolarHBondContact O-CD2 3.39Å; D216-F220 PolarHBondContact O-N 2.95Å; R217-F220 PolarHBondContact O-N 2.95Å; V218-F220 VanDerWaalsContact C-N 3.3Å; V218-F220 PolarHBondContact O-N 3.45Å; F220-T223 PolarHBondContact O-N 3.49Å; F220-T223 PolarHBondContact O-OG1 3.44Å; F220-G224 PolarHBondContact O-N 2.48Å; F220-G224 VanDerWaalsContact O-N 3.1Å; F220-R225 HydrophobicContact CD1-CB 3.94Å; F220-R225 WeakPolarHBondContact CD1-O 3.09Å; F220-R225 HydrophobicContact CE1-CB 4.42Å; F220-R225 HydrophobicContact CG-CB 4.41Å; F220-R225 PolarHBondContact O-N 2.98Å; F220-T230 HydrophobicContact CB-CG2 3.94Å; F220-T230 HydrophobicContact CD1-CG2 3.8Å; F220-T230 HydrophobicContact CE1-CG2 4.47Å; F220-T230 HydrophobicContact CG-CG2 3.93Å
221A75.9Confident79.6Confident59 Ų5965.6 Ų65.649%0.48835%0.349SS..Hα-helixtrans-61.6-45.4173.100000111.1R217 V218 T223 G224R217-A221 WeakPolarHBondContact O-CB 3.47Å; R217-A221 PolarHBondContact O-N 2.76Å; V218-A221 PolarHBondContact O-N 2.93Å; A221-T223 VanDerWaalsContact C-N 3.29Å; A221-T223 PolarHBondContact O-N 3.44Å; A221-G224 PolarHBondContact O-N 3.36Å
222L76.1Confident79.2Confident120 Ų12065 Ų6563%0.62835%0.354SS*.Hα-helixtrans-63.6-32.1177.1-70.4170.9000113.4V218 L219 R251V218-L222 HydrophobicContact CG1-CD1 4.37Å; V218-L222 WeakPolarHBondContact O-CG 3.45Å; V218-L222 PolarHBondContact O-N 3.15Å; L219-L222 PolarHBondContact O-N 3.46Å; L222-R251 HydrophobicContact CD1-CG 4.12Å
223T77.6Confident78.9Confident75 Ų7566 Ų6646%0.4636%0.359SS..THydrogen-bonded Turntrans-95.13.4-177.5550000114L219 F220 A221 R225L219-T223 HydrophobicContact CD1-CG2 4.41Å; L219-T223 WeakPolarHBondContact O-CG2 3.45Å; L219-T223 PolarHBondContact O-N 2.82Å; L219-T223 VanDerWaalsContact O-N 3.11Å; L219-T223 PolarHBondContact O-OG1 3.05Å; F220-T223 PolarHBondContact O-N 3.49Å; F220-T223 PolarHBondContact O-OG1 3.44Å; A221-T223 VanDerWaalsContact C-N 3.29Å; A221-T223 PolarHBondContact O-N 3.44Å; T223-R225 VanDerWaalsContact C-N 3.27Å; T223-R225 PolarHBondContact O-N 3.35Å
224G71.5Confident78.7Confident69 Ų6971.4 Ų71.471%0.71138%0.384SS*.THydrogen-bonded Turntrans6723.518000000114.2F220 A221F220-G224 PolarHBondContact O-N 2.48Å; F220-G224 VanDerWaalsContact O-N 3.1Å; A221-G224 PolarHBondContact O-N 3.36Å
225R66Low78.5Confident147 Ų14774.9 Ų74.956%0.55540%0.402SS*.  trans-104.439.4-173.8-69.3-175.2180-180-2.1113.3F220 T223 K227F220-R225 HydrophobicContact CD1-CB 3.94Å; F220-R225 WeakPolarHBondContact CD1-O 3.09Å; F220-R225 HydrophobicContact CE1-CB 4.42Å; F220-R225 HydrophobicContact CG-CB 4.41Å; F220-R225 PolarHBondContact O-N 2.98Å; T223-R225 VanDerWaalsContact C-N 3.27Å; T223-R225 PolarHBondContact O-N 3.35Å; R225-K227 PolarHBondContact O-N 3.23Å
226D61.3Low78.7Confident112 Ų11276.1 Ų76.160%0.59941%0.409SS*.  trans-63.50.1-175.6-102.9-11.2000116.3G228D226-G228 PolarHBondContact O-N 2.7Å
227K58.8Low79.2Confident214 Ų21482 Ų8293%0.9344%0.435SS*.SBendtrans-89.281175.9-63.3-174.6-179.6-179.60110.1R225R225-K227 PolarHBondContact O-N 3.23Å
228G65.9Low79.9Confident48 Ų4877.4 Ų77.450%0.49542%0.419SS..SBendtrans175.6167.6173.100000114D226 T230D226-G228 PolarHBondContact O-N 2.7Å; G228-T230 PolarHBondContact O-N 2.73Å
229K76Confident80.7Confident134 Ų13476.3 Ų76.358%0.58341%0.409SS*.  trans-74.3104.9171.1-169.6-179.2-179.1-174.20108.7N215N215-K229 PolarHBondContact ND2-O 3.49Å
230T83.7Confident81.5Confident37 Ų3779.2 Ų79.223%0.22742%0.422CS..  trans-100.9154.3176.958.40000111.3N215 R217 F220 G228N215-T230 WeakPolarHBondContact O-CA 3.38Å; R217-T230 HydrophobicContact CB-CG2 4.46Å; F220-T230 HydrophobicContact CB-CG2 3.94Å; F220-T230 HydrophobicContact CD1-CG2 3.8Å; F220-T230 HydrophobicContact CE1-CG2 4.47Å; F220-T230 HydrophobicContact CG-CG2 3.93Å; G228-T230 PolarHBondContact O-N 2.73Å
231V86.6Confident82.3Confident5 Ų578.8 Ų78.83%0.0342%0.42CS..BIsolated β-bridgetrans-110135.1173.6177.90000110N215 R217 M233 I269 I390N215-V231 PolarHBondContact O-N 3.26Å; R217-V231 WeakPolarHBondContact CB-O 3.47Å; R217-V231 PolarHBondContact N-O 2.84Å; V231-M233 HydrophobicContact CG1-CG 4.18Å; V231-I269 HydrophobicContact CG1-CD1 3.38Å; V231-I269 HydrophobicContact CG1-CG1 4.27Å; V231-I390 HydrophobicContact CG2-CB 4.14Å
232V87.3Confident83.3Confident71 Ų7176.4 Ų76.443%0.4340%0.4SS..  trans-97.7111.6170.3-175.70000107.3R217R217-V232 HydrophobicContact CB-CG2 3.99Å; R217-V232 HydrophobicContact CG-CG2 4.28Å
233M89.3Confident84.2Confident22 Ų2274.9 Ų74.911%0.10839%0.385CS..  trans-92.5125.9171.7-56.4173-145.900107.2L214 D216 V231 V236 M265 Y267 I390L214-M233 HydrophobicContact CB-CE 4.37Å; L214-M233 HydrophobicContact CD1-CE 3.9Å; D216-M233 HydrophobicContact CB-CE 4.33Å; V231-M233 HydrophobicContact CG1-CG 4.18Å; M233-V236 HydrophobicContact CB-CG2 3.67Å; M233-V236 HydrophobicContact CG-CG2 4.35Å; M233-V236 HydrophobicContact SD-CG2 3.82Å; M233-M265 HydrophobicContact SD-CE 4.19Å; M233-Y267 HydrophobicContact CG-CD2 4.41Å; M233-Y267 HydrophobicContact SD-CG 4.32Å; M233-I390 HydrophobicContact CE-CD1 4.01Å
234E88.9Confident85Confident118 Ų11876.4 Ų76.455%0.55139%0.39SS*.SBendtrans-77.8-46.2178.4-69.5-168.4148.900111.3R268 N270E234-R268 PolarHBondContact N-O 2.8Å; E234-N270 HydrophobicContact CG-CB 4.48Å; E234-N270 VanDerWaalsContact OE1-CB 3.23Å; E234-N270 WeakPolarHBondContact OE1-CB 3.43Å; E234-N270 WeakPolarHBondContact OE2-CB 3.44Å
235D90.8Very high86Confident80 Ų8077.4 Ų77.443%0.42839%0.386SS..EExtended strand (participates in β ladder)trans-131143.5177.3-172.620000109.1K237 Y267 R268D235-K237 WeakPolarHBondContact OD2-CE 3.18Å; D235-Y267 CarbonylContact O-C 3.54Å; D235-Y267 VanDerWaalsContact O-CA 3.23Å; D235-Y267 WeakPolarHBondContact O-CA 3.39Å; D235-R268 HydrophobicContact CB-CB 4.39Å; D235-R268 PolarHBondContact O-N 3.47Å
236V93.8Very high87.2Confident29 Ų2974.6 Ų74.618%0.17638%0.376CS..EExtended strand (participates in β ladder)trans-138.3123.5177.2-1750000108.7M233 F238 M265 S266M233-V236 HydrophobicContact CB-CG2 3.67Å; M233-V236 HydrophobicContact CG-CG2 4.35Å; M233-V236 HydrophobicContact SD-CG2 3.82Å; V236-F238 HydrophobicContact CB-CE2 4.23Å; V236-F238 HydrophobicContact CB-CZ 4.39Å; V236-F238 HydrophobicContact CG1-CD1 4.38Å; V236-F238 HydrophobicContact CG1-CD2 4.1Å; V236-F238 HydrophobicContact CG1-CE1 3.83Å; V236-F238 HydrophobicContact CG1-CE2 3.49Å; V236-F238 VanDerWaalsContact CG1-CE2 3.49Å; V236-F238 HydrophobicContact CG1-CZ 3.35Å; V236-M265 HydrophobicContact CG1-CE 3.54Å; V236-S266 CarbonylContact C-O 3.51Å; V236-S266 WeakPolarHBondContact CA-O 3.44Å
237K95.8Very high88.7Confident132 Ų13270.2 Ų70.257%0.57435%0.351SS*.EExtended strand (participates in β ladder)trans-110.8133.6174-59.9179.2-178.7-176.70108.5D235 M265 S266D235-K237 WeakPolarHBondContact OD2-CE 3.18Å; K237-M265 CarbonylContact O-C 3.57Å; K237-M265 WeakPolarHBondContact O-CA 3.31Å; K237-M265 VanDerWaalsContact O-CB 3.32Å; K237-M265 WeakPolarHBondContact O-CB 3.29Å; K237-S266 PolarHBondContact N-O 2.72Å; K237-S266 PolarHBondContact O-N 3.27Å
238F97Very high90.2Very high40 Ų4067.4 Ų67.418%0.17534%0.341CS..EExtended strand (participates in β ladder)trans-112.8151.7-179.2-68.1-74.2000111.4V236 V242 L244 F247 I253 M265V236-F238 HydrophobicContact CB-CE2 4.23Å; V236-F238 HydrophobicContact CB-CZ 4.39Å; V236-F238 HydrophobicContact CG1-CD1 4.38Å; V236-F238 HydrophobicContact CG1-CD2 4.1Å; V236-F238 HydrophobicContact CG1-CE1 3.83Å; V236-F238 HydrophobicContact CG1-CE2 3.49Å; V236-F238 VanDerWaalsContact CG1-CE2 3.49Å; V236-F238 HydrophobicContact CG1-CZ 3.35Å; F238-V242 HydrophobicContact CB-CB 3.81Å; F238-V242 HydrophobicContact CB-CG1 4.23Å; F238-V242 HydrophobicContact CB-CG2 3.92Å; F238-V242 HydrophobicContact CD1-CB 4.12Å; F238-V242 HydrophobicContact CD1-CG1 3.86Å; F238-V242 HydrophobicContact CD1-CG2 3.8Å; F238-V242 HydrophobicContact CD2-CG1 4.49Å; F238-V242 HydrophobicContact CE1-CG1 4.33Å; F238-V242 HydrophobicContact CG-CB 4.07Å; F238-V242 HydrophobicContact CG-CG1 3.95Å; F238-V242 HydrophobicContact CG-CG2 4.17Å; F238-L244 HydrophobicContact CB-CD2 4.1Å; F238-L244 HydrophobicContact CD2-CD2 3.66Å; F238-L244 HydrophobicContact CG-CD2 4.22Å; F238-F247 AromaticContact CE2-CD1 3.65Å; F238-F247 HydrophobicContact CE2-CD1 3.65Å; F238-F247 HydrophobicContact CE2-CD2 4.08Å; F238-F247 AromaticContact CE2-CE1 3.55Å; F238-F247 HydrophobicContact CE2-CE1 3.55Å; F238-F247 HydrophobicContact CE2-CE2 4.01Å; F238-F247 AromaticContact CE2-CG 3.88Å; F238-F247 HydrophobicContact CE2-CG 3.88Å; F238-F247 AromaticContact CE2-CZ 3.71Å; F238-F247 HydrophobicContact CE2-CZ 3.71Å; F238-F247 HydrophobicContact CZ-CD1 4.16Å; F238-F247 AromaticContact CZ-CD2 3.74Å; F238-F247 HydrophobicContact CZ-CD2 3.74Å; F238-F247 AromaticContact CZ-CE1 3.95Å; F238-F247 HydrophobicContact CZ-CE1 3.95Å; F238-F247 AromaticContact CZ-CE2 3.53Å; F238-F247 HydrophobicContact CZ-CE2 3.53Å; F238-F247 HydrophobicContact CZ-CG 4.03Å; F238-F247 AromaticContact CZ-CZ 3.61Å; F238-F247 HydrophobicContact CZ-CZ 3.61Å; F238-I253 HydrophobicContact CE1-CD1 3.98Å; F238-I253 HydrophobicContact CE1-CG1 3.89Å; F238-I253 HydrophobicContact CE1-CG2 4.05Å; F238-I253 HydrophobicContact CZ-CD1 4.33Å; F238-I253 HydrophobicContact CZ-CG1 4.08Å; F238-M265 HydrophobicContact CD1-CB 3.64Å; F238-M265 HydrophobicContact CD1-SD 4.44Å; F238-M265 HydrophobicContact CE1-CB 3.92Å; F238-M265 HydrophobicContact CE1-CE 4.32Å; F238-M265 HydrophobicContact CE1-CG 4.45Å; F238-M265 HydrophobicContact CE1-SD 3.78Å
239H95.7Very high91.3Very high45 Ų4569.9 Ų69.921%0.20835%0.352CS..  trans-61.3151.3162.3-167.1-92.1000110.5C241 V242 E263 L264H239-C241 WeakPolarHBondContact ND1-CB 3.5Å; H239-C241 PolarHBondContact ND1-N 2.88Å; H239-C241 PolarHBondContact ND1-SG 3.44Å; H239-C241 PolarHBondContact O-N 2.81Å; H239-V242 PolarHBondContact O-N 3.35Å; H239-E263 WeakPolarHBondContact CB-O 3.38Å; H239-E263 PolarHBondContact CD2-O 3.3Å; H239-L264 WeakPolarHBondContact CB-O 3.2Å; H239-L264 PolarHBondContact N-O 2.89Å
240Q94.3Very high91.7Very high93 Ų9367.2 Ų67.244%0.43534%0.344SS..THydrogen-bonded Turntrans-55-19.817861.7174.9-9.200114.2E127 W159 V242E127-Q240 PolarHBondContact OE1-NE2 2.89Å; W159-Q240 HydrophobicContact CD2-CG 4.25Å; W159-Q240 VanDerWaalsContact CE3-CD 3.5Å; W159-Q240 HydrophobicContact CE3-CG 3.66Å; W159-Q240 HydrophobicContact CZ3-CB 4.39Å; W159-Q240 HydrophobicContact CZ3-CG 4.01Å; Q240-V242 PolarHBondContact O-N 3.48Å
241C95.6Very high91.8Very high5 Ų567.9 Ų67.93%0.03434%0.342CS..THydrogen-bonded Turntrans-73-15.1-179.668.60000113.9W159 H239 F255 I256W159-C241 HydrophobicContact CD2-CB 4.1Å; W159-C241 VanDerWaalsContact CE2-CB 3.44Å; W159-C241 HydrophobicContact CG-CB 4.42Å; W159-C241 HydrophobicContact CZ2-CB 3.73Å; W159-C241 VanDerWaalsContact NE1-CB 3.34Å; H239-C241 WeakPolarHBondContact ND1-CB 3.5Å; H239-C241 PolarHBondContact ND1-N 2.88Å; H239-C241 PolarHBondContact ND1-SG 3.44Å; H239-C241 PolarHBondContact O-N 2.81Å; C241-F255 HydrophobicContact CB-CB 4.3Å; C241-F255 WeakPolarHBondContact O-CA 3.44Å; C241-F255 WeakPolarHBondContact O-CB 3.37Å; C241-I256 VanDerWaalsContact CB-O 3.28Å; C241-I256 WeakPolarHBondContact CB-O 3.44Å
242V97.4Very high91.9Very high9 Ų968.9 Ų68.96%0.05535%0.348CS..BIsolated β-bridgetrans-84129.7-179.6-1770000110.9F238 H239 Q240 L244 I253 F255 L264F238-V242 HydrophobicContact CB-CB 3.81Å; F238-V242 HydrophobicContact CB-CG1 4.23Å; F238-V242 HydrophobicContact CB-CG2 3.92Å; F238-V242 HydrophobicContact CD1-CB 4.12Å; F238-V242 HydrophobicContact CD1-CG1 3.86Å; F238-V242 HydrophobicContact CD1-CG2 3.8Å; F238-V242 HydrophobicContact CD2-CG1 4.49Å; F238-V242 HydrophobicContact CE1-CG1 4.33Å; F238-V242 HydrophobicContact CG-CB 4.07Å; F238-V242 HydrophobicContact CG-CG1 3.95Å; F238-V242 HydrophobicContact CG-CG2 4.17Å; H239-V242 PolarHBondContact O-N 3.35Å; Q240-V242 PolarHBondContact O-N 3.48Å; V242-L244 PolarHBondContact O-N 2.91Å; V242-I253 HydrophobicContact CG1-CG2 4.12Å; V242-I253 HydrophobicContact CG2-CG2 4.36Å; V242-F255 HydrophobicContact CG2-CB 4.06Å; V242-F255 HydrophobicContact CG2-CD1 4.48Å; V242-F255 HydrophobicContact CG2-CG 4.44Å; V242-L264 HydrophobicContact CG2-CD1 3.63Å; V242-L264 HydrophobicContact CG2-CG 4.47Å
243R95.4Very high92.3Very high87 Ų8765.8 Ų65.833%0.32833%0.329SS..  trans-76.189.1175.7-64.4-179.1177158.30.6110.3E209 S245 R246 F247 S254E209-R243 IonicContact OE1-NH1 3.66Å; E209-R243 IonicContact OE2-CZ 2.72Å; E209-R243 IonicContact OE2-NH1 2.61Å; E209-R243 PolarHBondContact OE2-NH1 2.84Å; E209-R243 IonicContact OE2-NH2 2.71Å; R243-S245 PolarHBondContact O-N 3.1Å; R243-R246 HydrophobicContact CB-CB 4.4Å; R243-R246 HydrophobicContact CB-CG 4.34Å; R243-R246 VanDerWaalsContact NH1-NH1 3.2Å; R243-R246 PolarHBondContact O-N 2.9Å; R243-F247 PolarHBondContact O-N 3.15Å; R243-S254 PolarHBondContact N-O 2.92Å
244L94.1Very high92.7Very high107 Ų10764.7 Ų64.756%0.5632%0.324SS*.Hα-helixtrans-54.7-36.3-178.6-62.7179.5000113.3F238 V242 R246 F247 E248F238-L244 HydrophobicContact CB-CD2 4.1Å; F238-L244 HydrophobicContact CD2-CD2 3.66Å; F238-L244 HydrophobicContact CG-CD2 4.22Å; V242-L244 PolarHBondContact O-N 2.91Å; L244-R246 VanDerWaalsContact C-N 3.29Å; L244-R246 PolarHBondContact O-N 3.37Å; L244-F247 PolarHBondContact O-N 3.26Å; L244-E248 PolarHBondContact O-N 3.25Å
245S92.8Very high93.1Very high90 Ų9059.1 Ų59.163%0.62930%0.298SS*.Hα-helixtrans-61-35.1177.7560000113.6R243 S249R243-S245 PolarHBondContact O-N 3.1Å; S245-S249 PolarHBondContact O-N 3.2Å; S245-S249 PolarHBondContact O-OG 2.92Å
246R91.3Very high93.4Very high89 Ų8956.3 Ų56.334%0.33628%0.283SS..Hα-helixtrans-72.7-44.3174.3-71.1-170.4175.7176.6-2.3110.8E209 R243 L244 E248 S249 D250 S254E209-R246 IonicContact OE1-CZ 3.23Å; E209-R246 IonicContact OE1-NH1 2.73Å; E209-R246 PolarHBondContact OE1-NH1 2.9Å; E209-R246 IonicContact OE2-NH1 3.63Å; R243-R246 HydrophobicContact CB-CB 4.4Å; R243-R246 HydrophobicContact CB-CG 4.34Å; R243-R246 VanDerWaalsContact NH1-NH1 3.2Å; R243-R246 PolarHBondContact O-N 2.9Å; L244-R246 VanDerWaalsContact C-N 3.29Å; L244-R246 PolarHBondContact O-N 3.37Å; R246-E248 VanDerWaalsContact C-N 3.3Å; R246-E248 PolarHBondContact O-N 2.72Å; R246-S249 PolarHBondContact O-N 3.38Å; R246-S249 VanDerWaalsContact O-N 3.14Å; R246-D250 PolarHBondContact O-N 2.84Å; R246-S254 PolarHBondContact NH1-OG 3.15Å; R246-S254 VanDerWaalsContact NH1-OG 3.1Å
247F92.6Very high93.5Very high20 Ų2055 Ų559%0.08827%0.274CS..Hα-helixtrans-59.4-41177.4-178.2-101.8000112.3F238 R243 L244 S249 R251 T252 I253F238-F247 AromaticContact CE2-CD1 3.65Å; F238-F247 HydrophobicContact CE2-CD1 3.65Å; F238-F247 HydrophobicContact CE2-CD2 4.08Å; F238-F247 AromaticContact CE2-CE1 3.55Å; F238-F247 HydrophobicContact CE2-CE1 3.55Å; F238-F247 HydrophobicContact CE2-CE2 4.01Å; F238-F247 AromaticContact CE2-CG 3.88Å; F238-F247 HydrophobicContact CE2-CG 3.88Å; F238-F247 AromaticContact CE2-CZ 3.71Å; F238-F247 HydrophobicContact CE2-CZ 3.71Å; F238-F247 HydrophobicContact CZ-CD1 4.16Å; F238-F247 AromaticContact CZ-CD2 3.74Å; F238-F247 HydrophobicContact CZ-CD2 3.74Å; F238-F247 AromaticContact CZ-CE1 3.95Å; F238-F247 HydrophobicContact CZ-CE1 3.95Å; F238-F247 AromaticContact CZ-CE2 3.53Å; F238-F247 HydrophobicContact CZ-CE2 3.53Å; F238-F247 HydrophobicContact CZ-CG 4.03Å; F238-F247 AromaticContact CZ-CZ 3.61Å; F238-F247 HydrophobicContact CZ-CZ 3.61Å; R243-F247 PolarHBondContact O-N 3.15Å; L244-F247 PolarHBondContact O-N 3.26Å; F247-S249 VanDerWaalsContact C-N 3.32Å; F247-S249 PolarHBondContact O-N 3.34Å; F247-R251 VanDerWaalsContact CZ-NH1 3.32Å; F247-R251 VanDerWaalsContact CZ-NH2 3.34Å; F247-R251 WeakPolarHBondContact O-CA 3.39Å; F247-R251 PolarHBondContact O-N 3.47Å; F247-T252 PolarHBondContact N-O 3.23Å; F247-I253 HydrophobicContact CD2-CG1 3.87Å; F247-I253 HydrophobicContact CE2-CG1 4.03Å
248E90.1Very high93.5Very high154 Ų15448.9 Ų48.972%0.7225%0.248SC*.Hα-helixtrans-64.7-37.8176.5-16663.5-161.700112.1L244 R246L244-E248 PolarHBondContact O-N 3.25Å; R246-E248 VanDerWaalsContact C-N 3.3Å; R246-E248 PolarHBondContact O-N 2.72Å
249S88.2Confident93.4Very high101 Ų10148.5 Ų48.571%0.70625%0.248SC*.Hα-helixtrans-74.6-47.5-175.6-58.80000113.2S245 R246 F247S245-S249 PolarHBondContact O-N 3.2Å; S245-S249 PolarHBondContact O-OG 2.92Å; R246-S249 PolarHBondContact O-N 3.38Å; R246-S249 VanDerWaalsContact O-N 3.14Å; F247-S249 VanDerWaalsContact C-N 3.32Å; F247-S249 PolarHBondContact O-N 3.34Å
250D84Confident93.3Very high78 Ų7847.2 Ų47.242%0.41725%0.247SC..Hα-helixtrans-138.611.7-170.470.97.9000114L219 R246 T252L219-D250 VanDerWaalsContact CD1-O 3.29Å; L219-D250 WeakPolarHBondContact CD1-O 3.48Å; R246-D250 PolarHBondContact O-N 2.84Å; D250-T252 PolarHBondContact O-N 3.11Å; D250-T252 WeakPolarHBondContact OD1-CA 3.46Å; D250-T252 WeakPolarHBondContact OD1-CB 3.39Å; D250-T252 PolarHBondContact OD1-N 2.83Å; D250-T252 PolarHBondContact OD1-OG1 3.38Å; D250-T252 PolarHBondContact OD2-OG1 2.88Å
251R86.6Confident93.3Very high50 Ų5048.7 Ų48.719%0.18925%0.254CS..  trans60.519.8-177.5-52.2-67.1-67.8-172.2-4.6113.8D216 V218 L219 L222 F247D216-R251 IonicContact OD1-NH2 3.79Å; D216-R251 IonicContact OD2-CZ 2.81Å; D216-R251 IonicContact OD2-NE 3.64Å; D216-R251 PolarHBondContact OD2-NE 3.46Å; D216-R251 IonicContact OD2-NH2 3.88Å; D216-R251 PolarHBondContact OD2-NH2 2.86Å; V218-R251 HydrophobicContact CG1-CG 4.1Å; L219-R251 HydrophobicContact CB-CB 3.98Å; L219-R251 HydrophobicContact CB-CG 4.48Å; L219-R251 HydrophobicContact CD1-CB 4.02Å; L222-R251 HydrophobicContact CD1-CG 4.12Å; F247-R251 VanDerWaalsContact CZ-NH1 3.32Å; F247-R251 VanDerWaalsContact CZ-NH2 3.34Å; F247-R251 WeakPolarHBondContact O-CA 3.39Å; F247-R251 PolarHBondContact O-N 3.47Å
252T88.8Confident93.3Very high26 Ų2649.5 Ų49.516%0.1626%0.26CS..  trans-81.1118.6175-590000111.5F247 D250 S254F247-T252 PolarHBondContact N-O 3.23Å; D250-T252 PolarHBondContact O-N 3.11Å; D250-T252 WeakPolarHBondContact OD1-CA 3.46Å; D250-T252 WeakPolarHBondContact OD1-CB 3.39Å; D250-T252 PolarHBondContact OD1-N 2.83Å; D250-T252 PolarHBondContact OD1-OG1 3.38Å; D250-T252 PolarHBondContact OD2-OG1 2.88Å; T252-S254 PolarHBondContact O-N 2.79Å
253I96.1Very high93.2Very high6 Ų653 Ų533%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-81.799171.2-55.1167.9000108.1R211 L212 L214 F238 V242 F247 F255 L264 M265R211-I253 CarbonylContact C-O 3.51Å; R211-I253 VanDerWaalsContact CA-O 3.27Å; R211-I253 WeakPolarHBondContact CA-O 3.45Å; L212-I253 HydrophobicContact CB-CB 4.16Å; L212-I253 HydrophobicContact CB-CG2 4.19Å; L212-I253 HydrophobicContact CD2-CD1 4.22Å; L212-I253 HydrophobicContact CG-CD1 4.48Å; L212-I253 PolarHBondContact N-O 3.49Å; L214-I253 HydrophobicContact CD1-CD1 3.8Å; L214-I253 HydrophobicContact CG-CD1 4.29Å; F238-I253 HydrophobicContact CE1-CD1 3.98Å; F238-I253 HydrophobicContact CE1-CG1 3.89Å; F238-I253 HydrophobicContact CE1-CG2 4.05Å; F238-I253 HydrophobicContact CZ-CD1 4.33Å; F238-I253 HydrophobicContact CZ-CG1 4.08Å; V242-I253 HydrophobicContact CG1-CG2 4.12Å; V242-I253 HydrophobicContact CG2-CG2 4.36Å; F247-I253 HydrophobicContact CD2-CG1 3.87Å; F247-I253 HydrophobicContact CE2-CG1 4.03Å; I253-F255 HydrophobicContact CG2-CD1 4Å; I253-F255 HydrophobicContact CG2-CE1 4.12Å; I253-L264 HydrophobicContact CG2-CD2 4.37Å; I253-M265 HydrophobicContact CD1-SD 3.81Å
254S97Very high93.3Very high0 Ų048.9 Ų48.90%026%0.26CS..EExtended strand (participates in β ladder)trans-120.4128.7-178.7178.60000110.5E209 L210 R243 R246 T252E209-S254 PolarHBondContact OE1-OG 2.84Å; L210-S254 WeakPolarHBondContact O-CA 3.46Å; R243-S254 PolarHBondContact N-O 2.92Å; R246-S254 PolarHBondContact NH1-OG 3.15Å; R246-S254 VanDerWaalsContact NH1-OG 3.1Å; T252-S254 PolarHBondContact O-N 2.79Å
255F97.8Very high93.4Very high0 Ų044 Ų440%023%0.234CC..EExtended strand (participates in β ladder)trans-155.8162.4-172.558.2-80.5000112.7L200 L210 L212 C241 V242 I253 P257 L264 M395L200-F255 HydrophobicContact CD1-CE2 3.53Å; L200-F255 HydrophobicContact CD1-CZ 3.72Å; L210-F255 HydrophobicContact CB-CD1 4.35Å; L210-F255 HydrophobicContact CB-CD2 4.12Å; L210-F255 HydrophobicContact CB-CE1 3.97Å; L210-F255 HydrophobicContact CB-CE2 3.72Å; L210-F255 HydrophobicContact CB-CG 4.41Å; L210-F255 HydrophobicContact CB-CZ 3.63Å; L210-F255 HydrophobicContact CD2-CE2 3.76Å; L210-F255 HydrophobicContact CD2-CZ 3.92Å; L210-F255 HydrophobicContact CG-CE2 4.38Å; L210-F255 HydrophobicContact CG-CZ 4.43Å; L210-F255 PolarHBondContact N-O 2.81Å; L210-F255 PolarHBondContact O-N 2.83Å; L212-F255 HydrophobicContact CB-CE1 4.11Å; C241-F255 HydrophobicContact CB-CB 4.3Å; C241-F255 WeakPolarHBondContact O-CA 3.44Å; C241-F255 WeakPolarHBondContact O-CB 3.37Å; V242-F255 HydrophobicContact CG2-CB 4.06Å; V242-F255 HydrophobicContact CG2-CD1 4.48Å; V242-F255 HydrophobicContact CG2-CG 4.44Å; I253-F255 HydrophobicContact CG2-CD1 4Å; I253-F255 HydrophobicContact CG2-CE1 4.12Å; F255-P257 HydrophobicContact CD2-CB 4.11Å; F255-P257 HydrophobicContact CE2-CB 3.98Å; F255-L264 HydrophobicContact CD1-CD1 3.8Å; F255-L264 HydrophobicContact CD1-CD2 4.43Å; F255-L264 HydrophobicContact CD2-CD1 3.7Å; F255-L264 HydrophobicContact CE1-CD1 3.78Å; F255-L264 HydrophobicContact CE1-CD2 3.68Å; F255-L264 HydrophobicContact CE1-CG 4.39Å; F255-L264 HydrophobicContact CE2-CD1 3.67Å; F255-L264 HydrophobicContact CE2-CD2 4.39Å; F255-L264 HydrophobicContact CG-CD1 3.77Å; F255-L264 HydrophobicContact CZ-CD1 3.72Å; F255-L264 HydrophobicContact CZ-CD2 3.66Å; F255-L264 HydrophobicContact CZ-CG 4.32Å; F255-M395 HydrophobicContact CZ-CE 4.22Å; F255-M395 HydrophobicContact CZ-SD 4.4Å
256I97.3Very high93.7Very high22 Ų2241.3 Ų41.311%0.11322%0.215CC..  trans-107.2112.8164.5-64.6170.3000106.1V157 W159 M207 C241V157-I256 HydrophobicContact CG1-CG2 4.38Å; V157-I256 HydrophobicContact CG2-CD1 4.03Å; W159-I256 PolarHBondContact NE1-O 2.56Å; M207-I256 HydrophobicContact CE-CG2 4.22Å; C241-I256 VanDerWaalsContact CB-O 3.28Å; C241-I256 WeakPolarHBondContact CB-O 3.44Å
257P96.5Very high93.9Very high0 Ų037.3 Ų37.30%020%0.2CC..PPolyproline II helixtrans-70.9141-171.427.8-35.2000112.5R160 T202 L204 P208 L210 F255R160-P257 VanDerWaalsContact CD-O 3.23Å; R160-P257 WeakPolarHBondContact CD-O 3.41Å; R160-P257 PolarHBondContact NH1-O 3.42Å; T202-P257 HydrophobicContact CG2-CB 3.75Å; T202-P257 HydrophobicContact CG2-CG 4Å; L204-P257 HydrophobicContact CD1-CG 4.38Å; P208-P257 HydrophobicContact CG-CG 4.45Å; P208-P257 WeakPolarHBondContact O-CD 3.08Å; L210-P257 HydrophobicContact CD1-CG 3.94Å; L210-P257 HydrophobicContact CD2-CB 4.44Å; L210-P257 HydrophobicContact CD2-CG 3.89Å; L210-P257 HydrophobicContact CG-CG 4.45Å; F255-P257 HydrophobicContact CD2-CB 4.11Å; F255-P257 HydrophobicContact CE2-CB 3.98Å
258P95.1Very high94Very high5 Ų541.8 Ų41.83%0.03222%0.217CC..PPolyproline II helixtrans-53.3154.3160.1-18.930.9000110.5W159 T202W159-P258 HydrophobicContact CB-CG 4.21Å; W159-P258 HydrophobicContact CG-CG 4.2Å; W159-P258 WeakPolarHBondContact O-CA 3.44Å; T202-P258 PolarHBondContact OG1-O 3.11Å
259D94.6Very high94.1Very high32 Ų3235 Ų3517%0.17119%0.185CC..SBendtrans-77.5145.5178.3-155.256.3000112.4K129 R160 I164 Y166K129-D259 WeakPolarHBondContact CD-O 3.29Å; K129-D259 WeakPolarHBondContact CE-O 3.12Å; K129-D259 PolarHBondContact NZ-O 2.87Å; R160-D259 IonicContact CZ-OD1 3.9Å; R160-D259 IonicContact NH1-OD1 2.76Å; R160-D259 PolarHBondContact NH1-OD1 2.87Å; R160-D259 VanDerWaalsContact NH1-OD1 3.09Å; R160-D259 IonicContact NH2-OD1 3.09Å; I164-D259 HydrophobicContact CD1-CB 3.8Å; Y166-D259 WeakPolarHBondContact CE2-OD1 3.38Å; Y166-D259 PolarHBondContact OH-OD2 2.78Å
260G93.9Very high94Very high18 Ų1834.3 Ų34.319%0.18617%0.173CC..EExtended strand (participates in β ladder)trans76.1-141.9-178.500000113.9K201 T202K201-G260 WeakPolarHBondContact CA-O 3.4Å; T202-G260 PolarHBondContact N-O 2.79Å; T202-G260 PolarHBondContact O-N 2.82Å; T202-G260 PolarHBondContact OG1-O 3.19Å
261E94.5Very high93.9Very high124 Ų12433.8 Ų33.858%0.57917%0.173SC*.EExtended strand (participates in β ladder)trans-85.5133.9-175.9-65.4-179.5-168.100111.6K129 L200 K201K129-E261 PolarHBondContact NZ-O 2.88Å; L200-E261 CarbonylContact O-C 3.49Å; L200-E261 VanDerWaalsContact O-CA 3.28Å; L200-E261 WeakPolarHBondContact O-CA 3.35Å; K201-E261 HydrophobicContact CB-CG 4.02Å; K201-E261 HydrophobicContact CD-CG 4.06Å; K201-E261 HydrophobicContact CG-CG 3.81Å; K201-E261 IonicContact NZ-OE1 2.91Å; K201-E261 PolarHBondContact NZ-OE1 3.31Å
262S94.3Very high93.4Very high22 Ų2238.8 Ų38.815%0.15420%0.199CC..EExtended strand (participates in β ladder)trans-156.9151.5176.155.20000111.4K199 L200K199-S262 CarbonylContact C-O 3.49Å; K199-S262 WeakPolarHBondContact CA-O 3.49Å; L200-S262 PolarHBondContact N-O 3.24Å; L200-S262 PolarHBondContact O-N 2.82Å
263E96.3Very high93Very high82 Ų8238.6 Ų38.638%0.38320%0.197SC..EExtended strand (participates in β ladder)trans-85.6118.2167.5-179.9166.7-171.100109.6S197 K199 H239 S266S197-E263 WeakPolarHBondContact CB-OE1 3Å; S197-E263 PolarHBondContact OG-OE1 2.86Å; K199-E263 HydrophobicContact CG-CB 4.45Å; H239-E263 WeakPolarHBondContact CB-O 3.38Å; H239-E263 PolarHBondContact CD2-O 3.3Å; E263-S266 WeakPolarHBondContact OE1-CB 3.33Å
264L97.4Very high92.5Very high1 Ų146.2 Ų46.21%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-79.2-45.5179.9175.368.9000111.7I198 L200 L212 H239 V242 I253 F255I198-L264 WeakPolarHBondContact O-CB 3.22Å; I198-L264 PolarHBondContact O-N 3.46Å; L200-L264 HydrophobicContact CD1-CB 3.86Å; L200-L264 HydrophobicContact CD1-CD1 4.23Å; L200-L264 HydrophobicContact CD1-CD2 4.05Å; L200-L264 HydrophobicContact CD1-CG 4.25Å; L200-L264 HydrophobicContact CG-CB 3.95Å; L212-L264 HydrophobicContact CD2-CD2 3.62Å; H239-L264 WeakPolarHBondContact CB-O 3.2Å; H239-L264 PolarHBondContact N-O 2.89Å; V242-L264 HydrophobicContact CG2-CD1 3.63Å; V242-L264 HydrophobicContact CG2-CG 4.47Å; I253-L264 HydrophobicContact CG2-CD2 4.37Å; F255-L264 HydrophobicContact CD1-CD1 3.8Å; F255-L264 HydrophobicContact CD1-CD2 4.43Å; F255-L264 HydrophobicContact CD2-CD1 3.7Å; F255-L264 HydrophobicContact CE1-CD1 3.78Å; F255-L264 HydrophobicContact CE1-CD2 3.68Å; F255-L264 HydrophobicContact CE1-CG 4.39Å; F255-L264 HydrophobicContact CE2-CD1 3.67Å; F255-L264 HydrophobicContact CE2-CD2 4.39Å; F255-L264 HydrophobicContact CG-CD1 3.77Å; F255-L264 HydrophobicContact CZ-CD1 3.72Å; F255-L264 HydrophobicContact CZ-CD2 3.66Å; F255-L264 HydrophobicContact CZ-CG 4.32Å
265M97.2Very high92.2Very high3 Ų346.5 Ų46.52%0.01523%0.232CC..EExtended strand (participates in β ladder)trans-156.6150-177.361.2177.5-78.800111.6S197 I198 L212 L214 M233 V236 K237 F238 I253 Y267S197-M265 CarbonylContact C-O 3.57Å; S197-M265 WeakPolarHBondContact CA-O 3.46Å; I198-M265 HydrophobicContact CB-CG 3.8Å; I198-M265 HydrophobicContact CD1-CE 4.37Å; I198-M265 HydrophobicContact CD1-CG 3.87Å; I198-M265 HydrophobicContact CD1-SD 3.71Å; I198-M265 HydrophobicContact CG1-CG 3.86Å; I198-M265 HydrophobicContact CG1-SD 4.36Å; I198-M265 PolarHBondContact N-O 3.31Å; L212-M265 HydrophobicContact CD2-SD 4.49Å; L214-M265 HydrophobicContact CD1-CE 4.08Å; L214-M265 HydrophobicContact CD1-SD 3.97Å; M233-M265 HydrophobicContact SD-CE 4.19Å; V236-M265 HydrophobicContact CG1-CE 3.54Å; K237-M265 CarbonylContact O-C 3.57Å; K237-M265 WeakPolarHBondContact O-CA 3.31Å; K237-M265 VanDerWaalsContact O-CB 3.32Å; K237-M265 WeakPolarHBondContact O-CB 3.29Å; F238-M265 HydrophobicContact CD1-CB 3.64Å; F238-M265 HydrophobicContact CD1-SD 4.44Å; F238-M265 HydrophobicContact CE1-CB 3.92Å; F238-M265 HydrophobicContact CE1-CE 4.32Å; F238-M265 HydrophobicContact CE1-CG 4.45Å; F238-M265 HydrophobicContact CE1-SD 3.78Å; I253-M265 HydrophobicContact CD1-SD 3.81Å; M265-Y267 HydrophobicContact CE-CD1 3.89Å; M265-Y267 HydrophobicContact CE-CG 4.4Å
266S97.1Very high92.1Very high34 Ų3446.9 Ų46.924%0.23823%0.234CC..EExtended strand (participates in β ladder)trans-115.9148.7162.649.40000109.8G196 V236 K237 E263G196-S266 CarbonylContact O-C 3.6Å; G196-S266 WeakPolarHBondContact O-CA 3.32Å; G196-S266 WeakPolarHBondContact O-CB 3.46Å; V236-S266 CarbonylContact C-O 3.51Å; V236-S266 WeakPolarHBondContact CA-O 3.44Å; K237-S266 PolarHBondContact N-O 2.72Å; K237-S266 PolarHBondContact O-N 3.27Å; E263-S266 WeakPolarHBondContact OE1-CB 3.33Å
267Y95.6Very high92Very high5 Ų545.9 Ų45.92%0.0223%0.229CC..EExtended strand (participates in β ladder)trans-139.2148.9179.658.8-86.2000110.2E177 G196 I198 M233 D235 M265 I269 I390E177-Y267 WeakPolarHBondContact CG-OH 3.29Å; E177-Y267 PolarHBondContact OE1-OH 2.87Å; G196-Y267 VanDerWaalsContact CA-CZ 3.45Å; G196-Y267 PolarHBondContact N-O 2.69Å; G196-Y267 PolarHBondContact O-N 2.9Å; I198-Y267 HydrophobicContact CD1-CE1 4.45Å; I198-Y267 HydrophobicContact CG1-CE1 3.99Å; M233-Y267 HydrophobicContact CG-CD2 4.41Å; M233-Y267 HydrophobicContact SD-CG 4.32Å; D235-Y267 CarbonylContact O-C 3.54Å; D235-Y267 VanDerWaalsContact O-CA 3.23Å; D235-Y267 WeakPolarHBondContact O-CA 3.39Å; M265-Y267 HydrophobicContact CE-CD1 3.89Å; M265-Y267 HydrophobicContact CE-CG 4.4Å; Y267-I269 HydrophobicContact CD2-CD1 3.82Å; Y267-I269 HydrophobicContact CD2-CG1 4.01Å; Y267-I269 HydrophobicContact CE2-CD1 3.76Å; Y267-I269 HydrophobicContact CE2-CG1 4.41Å; Y267-I390 HydrophobicContact CD1-CD1 4.35Å; Y267-I390 HydrophobicContact CD2-CD1 4.5Å; Y267-I390 HydrophobicContact CE1-CD1 3.74Å; Y267-I390 HydrophobicContact CE2-CD1 3.9Å; Y267-I390 VanDerWaalsContact CZ-CD1 3.48Å
268R95Very high92Very high115 Ų11547.6 Ų47.643%0.43424%0.235SC..EExtended strand (participates in β ladder)trans-116.6137.2174.9-169.5176.7-175.4167.33.2110.4D193 I194 E234 D235D193-R268 VanDerWaalsContact CG-NH2 3.33Å; D193-R268 IonicContact OD1-NH2 3.96Å; D193-R268 PolarHBondContact OD1-NH2 3.03Å; D193-R268 IonicContact OD2-CZ 3.49Å; D193-R268 IonicContact OD2-NE 3.25Å; D193-R268 IonicContact OD2-NH2 3.96Å; D193-R268 PolarHBondContact OD2-NH2 3.23Å; I194-R268 WeakPolarHBondContact O-CA 3.44Å; E234-R268 PolarHBondContact N-O 2.8Å; D235-R268 HydrophobicContact CB-CB 4.39Å; D235-R268 PolarHBondContact O-N 3.47Å
269I92.3Very high92Very high12 Ų1247.8 Ų47.86%0.06224%0.236CC..EExtended strand (participates in β ladder)trans-129.7114.6174.9-56.7167.4000107.3I194 V231 Y267I194-I269 HydrophobicContact CB-CB 4.32Å; I194-I269 PolarHBondContact N-O 2.94Å; I194-I269 PolarHBondContact O-N 3.31Å; V231-I269 HydrophobicContact CG1-CD1 3.38Å; V231-I269 HydrophobicContact CG1-CG1 4.27Å; Y267-I269 HydrophobicContact CD2-CD1 3.82Å; Y267-I269 HydrophobicContact CD2-CG1 4.01Å; Y267-I269 HydrophobicContact CE2-CD1 3.76Å; Y267-I269 HydrophobicContact CE2-CG1 4.41Å
270N87.3Confident91.9Very high85 Ų8550 Ų5046%0.45525%0.245SC..EExtended strand (participates in β ladder)trans-86.3111.2169-168.74.1000108.5S192 E234S192-N270 PolarHBondContact O-OD1 3.43Å; E234-N270 HydrophobicContact CG-CB 4.48Å; E234-N270 VanDerWaalsContact OE1-CB 3.23Å; E234-N270 WeakPolarHBondContact OE1-CB 3.43Å; E234-N270 WeakPolarHBondContact OE2-CB 3.44Å
271T80.7Confident91.9Very high68 Ų6850.6 Ų50.642%0.41725%0.247SC..  trans-148.4142.1175.8-1430000108.8S192 I194 V273S192-T271 PolarHBondContact OG-O 3.34Å; I194-T271 HydrophobicContact CD1-CG2 4.13Å; T271-V273 HydrophobicContact CG2-CB 4.5Å; T271-V273 HydrophobicContact CG2-CG2 3.29Å; T271-V273 PolarHBondContact O-N 2.76Å
272H77.4Confident91.7Very high155 Ų15548.7 Ų48.772%0.71824%0.243SC*.  trans-73.482.8175.4-70.6-75.5000109.7
273V79.9Confident91.5Very high22 Ų2249.1 Ų49.113%0.13324%0.243CC..PPolyproline II helixtrans-79.3134.5173.3-163.10000108.6I194 T271 V387I194-V273 HydrophobicContact CD1-CG2 3.83Å; I194-V273 HydrophobicContact CG1-CG2 4.12Å; T271-V273 HydrophobicContact CG2-CB 4.5Å; T271-V273 HydrophobicContact CG2-CG2 3.29Å; T271-V273 PolarHBondContact O-N 2.76Å; V273-V387 HydrophobicContact CB-CG1 4.15Å; V273-V387 HydrophobicContact CG1-CG1 3.32Å; V273-V387 HydrophobicContact CG2-CG1 3.63Å
274K85.6Confident91.2Very high166 Ų16650 Ų5072%0.72225%0.247SC*.PPolyproline II helixtrans-63.5129.1163.8-68.8-174.9-179.7-177.70108.7L276K274-L276 PolarHBondContact O-N 2.83Å
275P91.3Very high90.7Very high5 Ų555.2 Ų55.23%0.03227%0.27CS..PPolyproline II helixtrans-59.1125.2-174.7-23.334.6000111V181 V183 V189 I277 W278 Q300 Y418V181-P275 HydrophobicContact CG1-CB 4.26Å; V181-P275 HydrophobicContact CG1-CG 3.93Å; V183-P275 HydrophobicContact CG2-CG 4.35Å; V189-P275 HydrophobicContact CG2-CG 3.91Å; P275-I277 VanDerWaalsContact C-N 3.28Å; P275-I277 PolarHBondContact O-N 3.27Å; P275-W278 HydrophobicContact CB-CE3 4.08Å; P275-W278 HydrophobicContact CG-CE3 3.8Å; P275-W278 HydrophobicContact CG-CZ3 3.9Å; P275-Q300 PolarHBondContact O-OE1 3.21Å; P275-Y418 VanDerWaalsContact C-OH 3.32Å; P275-Y418 WeakPolarHBondContact CA-OH 3.49Å; P275-Y418 HydrophobicContact CB-CE2 4.41Å; P275-Y418 WeakPolarHBondContact CB-OH 3.44Å
276L94.7Very high90.3Very high9 Ų959.3 Ų59.35%0.04729%0.288CS..SBendtrans-62-36.8-173-60.7-170000112.3I179 K274 G299 Q300 F301 F380 I382 F385 V387 T413 Y418I179-L276 HydrophobicContact CD1-CD1 3.35Å; I179-L276 HydrophobicContact CD1-CG 3.63Å; K274-L276 PolarHBondContact O-N 2.83Å; L276-G299 CarbonylContact O-C 3.57Å; L276-Q300 PolarHBondContact O-N 2.8Å; L276-F301 HydrophobicContact CB-CD1 4.11Å; L276-F301 HydrophobicContact CD2-CB 4.31Å; L276-F301 VanDerWaalsContact O-CD1 3.25Å; L276-F301 WeakPolarHBondContact O-CD1 3.31Å; L276-F380 HydrophobicContact CB-CZ 4.35Å; L276-F380 HydrophobicContact CD1-CE2 4.13Å; L276-F380 HydrophobicContact CD1-CZ 4.4Å; L276-I382 HydrophobicContact CB-CD1 4.5Å; L276-I382 HydrophobicContact CD1-CD1 3.65Å; L276-F385 HydrophobicContact CD1-CD1 4.43Å; L276-F385 HydrophobicContact CD1-CE1 3.95Å; L276-F385 HydrophobicContact CD2-CE1 4.31Å; L276-V387 HydrophobicContact CD1-CG2 3.88Å; L276-V387 HydrophobicContact CD2-CG2 4.48Å; L276-T413 HydrophobicContact CD1-CG2 3.86Å; L276-Y418 PolarHBondContact N-OH 2.82Å
277I96.1Very high89.6Confident0 Ų061 Ų610%030%0.3CS..EExtended strand (participates in β ladder)trans-117.1103172-59.4-176.7000107.7P275 I279 K298 F301 A307 V310 V378 F380 Y418P275-I277 VanDerWaalsContact C-N 3.28Å; P275-I277 PolarHBondContact O-N 3.27Å; I277-I279 HydrophobicContact CG2-CD1 3.84Å; I277-K298 WeakPolarHBondContact CA-O 3.46Å; I277-F301 HydrophobicContact CG1-CE1 4.1Å; I277-A307 HydrophobicContact CD1-CB 4.17Å; I277-V310 HydrophobicContact CD1-CB 4.38Å; I277-V310 HydrophobicContact CD1-CG1 3.69Å; I277-V310 HydrophobicContact CD1-CG2 3.71Å; I277-V378 HydrophobicContact CB-CG1 4.45Å; I277-V378 HydrophobicContact CD1-CG1 4.46Å; I277-V378 HydrophobicContact CG2-CG1 4.23Å; I277-F380 HydrophobicContact CD1-CB 3.64Å; I277-F380 HydrophobicContact CD1-CD1 3.75Å; I277-F380 HydrophobicContact CD1-CD2 4.38Å; I277-F380 HydrophobicContact CD1-CG 3.66Å; I277-F380 HydrophobicContact CG1-CD1 4.27Å; I277-F380 HydrophobicContact CG1-CG 4.43Å; I277-Y418 VanDerWaalsContact C-OH 3.24Å; I277-Y418 PolarHBondContact N-OH 3.41Å; I277-Y418 WeakPolarHBondContact O-CE1 3.23Å; I277-Y418 PolarHBondContact O-OH 3.44Å
278W95.6Very high89Confident37 Ų3765.1 Ų65.114%0.1432%0.319CS..EExtended strand (participates in β ladder)trans-85.2129178.7-177.8-103.3000110.1V183 G187 P275 E280 A297 K298 Q300 L420V183-W278 HydrophobicContact CB-CZ3 4.48Å; V183-W278 HydrophobicContact CG1-CH2 3.52Å; V183-W278 HydrophobicContact CG1-CZ3 3.76Å; V183-W278 HydrophobicContact CG2-CH2 4.49Å; V183-W278 HydrophobicContact CG2-CZ3 3.89Å; G187-W278 VanDerWaalsContact O-CH2 3.22Å; G187-W278 WeakPolarHBondContact O-CH2 3.2Å; P275-W278 HydrophobicContact CB-CE3 4.08Å; P275-W278 HydrophobicContact CG-CE3 3.8Å; P275-W278 HydrophobicContact CG-CZ3 3.9Å; W278-E280 VanDerWaalsContact NE1-CG 3.27Å; W278-E280 PolarHBondContact NE1-OE1 3.46Å; W278-A297 CarbonylContact O-C 3.58Å; W278-A297 WeakPolarHBondContact O-CA 3.47Å; W278-K298 HydrophobicContact CB-CB 4.32Å; W278-K298 PolarHBondContact N-O 3.01Å; W278-K298 PolarHBondContact O-N 3.24Å; W278-Q300 HydrophobicContact CB-CG 4.11Å; W278-L420 HydrophobicContact CE3-CD2 4.45Å; W278-L420 HydrophobicContact CZ3-CD2 4.47Å
279I95.5Very high88.8Confident9 Ų962.7 Ų62.75%0.04632%0.32CS..EExtended strand (participates in β ladder)trans-111.2123.9177.8-52.1-60.3000109.1I277 V295 K296 A297 V312 I376 V378 L420I277-I279 HydrophobicContact CG2-CD1 3.84Å; I279-V295 HydrophobicContact CG2-CG1 3.49Å; I279-V295 VanDerWaalsContact CG2-CG1 3.49Å; I279-K296 WeakPolarHBondContact CA-O 3.09Å; I279-A297 HydrophobicContact CD1-CB 3.57Å; I279-V312 HydrophobicContact CD1-CG1 4.03Å; I279-V312 HydrophobicContact CD1-CG2 3.83Å; I279-V312 HydrophobicContact CG1-CG1 4.33Å; I279-V312 HydrophobicContact CG2-CG1 4.45Å; I279-I376 HydrophobicContact CG2-CD1 4.18Å; I279-I376 HydrophobicContact CG2-CG2 4.31Å; I279-V378 HydrophobicContact CD1-CG2 4.09Å; I279-V378 HydrophobicContact CG1-CG2 3.58Å; I279-L420 HydrophobicContact CB-CD1 4.35Å; I279-L420 HydrophobicContact CB-CD2 4Å; I279-L420 HydrophobicContact CG1-CD1 4.12Å; I279-L420 HydrophobicContact CG1-CD2 4.47Å
280E93.2Very high88.7Confident77 Ų7766.6 Ų66.636%0.3633%0.334SS..EExtended strand (participates in β ladder)trans-107.1119.9167.1-67.2168.7-178.400107.2W278 V295 K296 K298W278-E280 VanDerWaalsContact NE1-CG 3.27Å; W278-E280 PolarHBondContact NE1-OE1 3.46Å; E280-V295 CarbonylContact O-C 3.58Å; E280-V295 WeakPolarHBondContact O-CA 2.98Å; E280-K296 HydrophobicContact CB-CB 4.28Å; E280-K296 PolarHBondContact N-O 3.38Å; E280-K296 PolarHBondContact O-N 3.21Å; E280-K298 IonicContact OE1-NZ 3.5Å; E280-K298 PolarHBondContact OE1-NZ 2.86Å; E280-K298 VanDerWaalsContact OE2-CE 3.22Å; E280-K298 WeakPolarHBondContact OE2-CE 3.28Å; E280-K298 IonicContact OE2-NZ 2.82Å; E280-K298 PolarHBondContact OE2-NZ 2.78Å
281S92.1Very high89Confident32 Ų3262.6 Ų62.622%0.22431%0.313CS..EExtended strand (participates in β ladder)trans-122.7133.1177.661.80000110.6M294 I376 T422S281-M294 CarbonylContact C-O 3.59Å; S281-M294 WeakPolarHBondContact CA-O 3.28Å; S281-I376 WeakPolarHBondContact OG-CD1 3.41Å; S281-T422 VanDerWaalsContact OG-CG2 3.26Å; S281-T422 WeakPolarHBondContact OG-CG2 3.38Å
282V91.3Very high89.6Confident83 Ų8362.4 Ų62.450%0.50331%0.307SS..EExtended strand (participates in β ladder)trans-116.4122.5168.4-177.20000107E284 M294V282-E284 HydrophobicContact CG1-CG 4.17Å; V282-M294 PolarHBondContact N-O 3.14Å; V282-M294 PolarHBondContact O-N 3.3Å
283I89.2Confident90.4Very high31 Ų3155.3 Ų55.316%0.15927%0.274CS..EExtended strand (participates in β ladder)trans-114.8112.2179.7-60.8172.5000106.8V291 I293 T422 V424I283-V291 HydrophobicContact CG2-CG1 4.19Å; I283-I293 HydrophobicContact CG1-CG1 4.36Å; I283-I293 HydrophobicContact CG1-CG2 4.19Å; I283-I293 HydrophobicContact CG2-CG1 4.37Å; I283-T422 HydrophobicContact CD1-CG2 4.47Å; I283-V424 HydrophobicContact CB-CG2 4.1Å; I283-V424 HydrophobicContact CD1-CG2 3.69Å; I283-V424 HydrophobicContact CG1-CG2 4.46Å; I283-V424 HydrophobicContact CG2-CG1 4.26Å; I283-V424 HydrophobicContact CG2-CG2 4.11Å
284E90.1Very high91.1Very high100 Ų10057.7 Ų57.747%0.46729%0.285SS..EExtended strand (participates in β ladder)trans-105.4105.1177-66.4179.7-179.600108.4V282 F286 V291 E292V282-E284 HydrophobicContact CG1-CG 4.17Å; E284-F286 HydrophobicContact CB-CE2 3.9Å; E284-F286 HydrophobicContact CB-CZ 4.37Å; E284-V291 WeakPolarHBondContact O-CA 3.31Å; E284-E292 HydrophobicContact CB-CB 4.42Å; E284-E292 PolarHBondContact N-O 3.01Å; E284-E292 PolarHBondContact O-N 3.26Å
285K87.4Confident91.6Very high112 Ų11249.8 Ų49.849%0.48725%0.25SS..EExtended strand (participates in β ladder)trans-92.8120.5175-175.7176.6-177.2-177.60109.3V291 L362K285-V291 HydrophobicContact CB-CG2 4.16Å; K285-V291 HydrophobicContact CG-CG2 3.87Å; K285-L362 HydrophobicContact CD-CD1 4.4Å; K285-L362 HydrophobicContact CG-CD1 4Å
286F88.3Confident91.9Very high88 Ų8852.6 Ų52.639%0.38626%0.262SS..EExtended strand (participates in β ladder)trans-103.2104.4169.1-60.1-89.2000107.6E284 H288 S289 R290 E292E284-F286 HydrophobicContact CB-CE2 3.9Å; E284-F286 HydrophobicContact CB-CZ 4.37Å; F286-H288 PolarHBondContact O-N 2.99Å; F286-S289 PolarHBondContact O-N 2.89Å; F286-S289 VanDerWaalsContact O-N 3.11Å; F286-R290 WeakPolarHBondContact CA-O 3.38Å; F286-R290 HydrophobicContact CB-CG 4.06Å; F286-R290 WeakPolarHBondContact CB-O 3.33Å; F286-R290 HydrophobicContact CD2-CG 3.79Å; F286-R290 HydrophobicContact CG-CG 4.22Å; F286-R290 PolarHBondContact N-O 2.68Å; F286-R290 PolarHBondContact O-N 3.2Å; F286-R290 VanDerWaalsContact O-N 3.1Å; F286-E292 HydrophobicContact CE2-CG 4.46Å
287S83.4Confident92Very high71 Ų7152.1 Ų52.150%0.49726%0.26SS..THydrogen-bonded Turntrans-49.6138.5-178.3-61.70000111.5S289S287-S289 PolarHBondContact O-N 3.2Å; S287-S289 VanDerWaalsContact O-N 3.11Å
288H83.7Confident92.1Very high91 Ų9153.9 Ų53.942%0.42127%0.268SS..THydrogen-bonded Turntrans59.316.5179.6-47-76.2000115.9F286 P363 S364 E366F286-H288 PolarHBondContact O-N 2.99Å; H288-P363 WeakPolarHBondContact CA-O 3.39Å; H288-S364 PolarHBondContact ND1-O 2.91Å; H288-E366 VanDerWaalsContact CE1-CD 3.45Å; H288-E366 WeakPolarHBondContact CE1-CG 3.38Å; H288-E366 IonicContact CE1-OE1 3.96Å; H288-E366 IonicContact NE2-OE1 3.87Å; H288-E366 PolarHBondContact NE2-OE1 2.93Å
289S90.4Very high92.1Very high64 Ų6452.3 Ų52.345%0.44826%0.263SS..THydrogen-bonded Turntrans-138.3-68-175.2-175.50000113.3F286 S287 L362F286-S289 PolarHBondContact O-N 2.89Å; F286-S289 VanDerWaalsContact O-N 3.11Å; S287-S289 PolarHBondContact O-N 3.2Å; S287-S289 VanDerWaalsContact O-N 3.11Å; S289-L362 PolarHBondContact O-N 2.63Å
290R90.6Very high92.1Very high93 Ų9356.1 Ų56.135%0.35128%0.28SS..EExtended strand (participates in β ladder)trans-162161.3-169.463.7176.6-168.7-133.313.7113.1F286 E292 H359 F360F286-R290 WeakPolarHBondContact CA-O 3.38Å; F286-R290 HydrophobicContact CB-CG 4.06Å; F286-R290 WeakPolarHBondContact CB-O 3.33Å; F286-R290 HydrophobicContact CD2-CG 3.79Å; F286-R290 HydrophobicContact CG-CG 4.22Å; F286-R290 PolarHBondContact N-O 2.68Å; F286-R290 PolarHBondContact O-N 3.2Å; F286-R290 VanDerWaalsContact O-N 3.1Å; R290-E292 IonicContact CZ-OE1 3.58Å; R290-E292 IonicContact NE-OE1 3.48Å; R290-E292 PolarHBondContact NE-OE1 3.18Å; R290-E292 IonicContact NH2-OE1 3.12Å; R290-E292 PolarHBondContact NH2-OE1 3.27Å; R290-H359 WeakPolarHBondContact CD-NE2 3.29Å; R290-F360 CarbonylContact C-O 3.6Å; R290-F360 WeakPolarHBondContact CA-O 3.38Å; R290-F360 WeakPolarHBondContact CB-O 3.28Å
291V91.8Very high92.2Very high2 Ų253.3 Ų53.31%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-123.1125169.4169.20000108.8I283 E284 K285 I293 P317 H359 F360 L362I283-V291 HydrophobicContact CG2-CG1 4.19Å; E284-V291 WeakPolarHBondContact O-CA 3.31Å; K285-V291 HydrophobicContact CB-CG2 4.16Å; K285-V291 HydrophobicContact CG-CG2 3.87Å; V291-I293 HydrophobicContact CG1-CD1 4.01Å; V291-I293 HydrophobicContact CG1-CG1 3.69Å; V291-P317 HydrophobicContact CG2-CG 4.28Å; V291-H359 WeakPolarHBondContact O-CA 3.35Å; V291-F360 HydrophobicContact CB-CB 4.4Å; V291-F360 PolarHBondContact N-O 3.5Å; V291-F360 PolarHBondContact O-N 3.32Å; V291-L362 HydrophobicContact CG2-CD1 3.5Å; V291-L362 HydrophobicContact CG2-CD2 4.07Å; V291-L362 HydrophobicContact CG2-CG 3.79Å
292E94.1Very high92.3Very high64 Ų6457.6 Ų57.630%0.29928%0.282SS..EExtended strand (participates in β ladder)trans-107.4125.4173.1-66.9-171.6-148.800109.3E284 F286 R290E284-E292 HydrophobicContact CB-CB 4.42Å; E284-E292 PolarHBondContact N-O 3.01Å; E284-E292 PolarHBondContact O-N 3.26Å; F286-E292 HydrophobicContact CE2-CG 4.46Å; R290-E292 IonicContact CZ-OE1 3.58Å; R290-E292 IonicContact NE-OE1 3.48Å; R290-E292 PolarHBondContact NE-OE1 3.18Å; R290-E292 IonicContact NH2-OE1 3.12Å; R290-E292 PolarHBondContact NH2-OE1 3.27Å
293I94.4Very high92.4Very high5 Ų561.7 Ų61.73%0.02629%0.293CS..EExtended strand (participates in β ladder)trans-121.1119.1-178.3-55176000107.8I283 V291 V295 V314 V316 R357 A358 F360I283-I293 HydrophobicContact CG1-CG1 4.36Å; I283-I293 HydrophobicContact CG1-CG2 4.19Å; I283-I293 HydrophobicContact CG2-CG1 4.37Å; V291-I293 HydrophobicContact CG1-CD1 4.01Å; V291-I293 HydrophobicContact CG1-CG1 3.69Å; I293-V295 HydrophobicContact CG2-CG2 3.66Å; I293-V314 HydrophobicContact CG2-CG1 4.04Å; I293-V316 HydrophobicContact CD1-CG1 3.58Å; I293-R357 CarbonylContact O-C 3.55Å; I293-R357 WeakPolarHBondContact O-CA 3.45Å; I293-A358 HydrophobicContact CB-CB 4.26Å; I293-A358 PolarHBondContact N-O 2.77Å; I293-A358 PolarHBondContact O-N 3.04Å; I293-F360 HydrophobicContact CD1-CD2 4.4Å; I293-F360 HydrophobicContact CD1-CE2 4.35Å
294M95.3Very high92.7Very high72 Ų7267.8 Ų67.836%0.35532%0.32SS..EExtended strand (participates in β ladder)trans-110.2118.5171.4-170.9175-43.700109.3S281 V282 L355 R357S281-M294 CarbonylContact C-O 3.59Å; S281-M294 WeakPolarHBondContact CA-O 3.28Å; V282-M294 PolarHBondContact N-O 3.14Å; V282-M294 PolarHBondContact O-N 3.3Å; M294-L355 HydrophobicContact CG-CD1 3.77Å; M294-L355 HydrophobicContact CG-CG 4.46Å; M294-L355 HydrophobicContact SD-CD1 4.09Å; M294-L355 HydrophobicContact SD-CD2 4.49Å; M294-R357 HydrophobicContact CE-CG 4.44Å; M294-R357 VanDerWaalsContact CE-CZ 3.46Å; M294-R357 HydrophobicContact CG-CG 4.13Å
295V96.3Very high93Very high0 Ų063.8 Ų63.80%030%0.303CS..EExtended strand (participates in β ladder)trans-118.4123.4179-173.50000109.9I279 E280 I293 V312 V314 W343 L355 M356I279-V295 HydrophobicContact CG2-CG1 3.49Å; I279-V295 VanDerWaalsContact CG2-CG1 3.49Å; E280-V295 CarbonylContact O-C 3.58Å; E280-V295 WeakPolarHBondContact O-CA 2.98Å; I293-V295 HydrophobicContact CG2-CG2 3.66Å; V295-V312 HydrophobicContact CG1-CG1 4.33Å; V295-V314 HydrophobicContact CG2-CG1 4.33Å; V295-V314 HydrophobicContact CG2-CG2 3.95Å; V295-W343 HydrophobicContact CG1-CE3 4.47Å; V295-W343 HydrophobicContact CG1-CZ3 4.34Å; V295-L355 CarbonylContact O-C 3.54Å; V295-L355 WeakPolarHBondContact O-CA 3.38Å; V295-M356 HydrophobicContact CB-CE 4.04Å; V295-M356 HydrophobicContact CG2-CE 3.73Å; V295-M356 PolarHBondContact N-O 2.87Å; V295-M356 PolarHBondContact O-N 3.3Å
296K96.5Very high93.4Very high64 Ų6460.6 Ų60.628%0.27829%0.293SS..EExtended strand (participates in β ladder)trans-111.4120174-175.4177.8-177.3-177.30109.1I279 E280 K298 E353 F354 L355I279-K296 WeakPolarHBondContact CA-O 3.09Å; E280-K296 HydrophobicContact CB-CB 4.28Å; E280-K296 PolarHBondContact N-O 3.38Å; E280-K296 PolarHBondContact O-N 3.21Å; K296-K298 HydrophobicContact CG-CG 4.41Å; K296-E353 WeakPolarHBondContact CE-OE2 3.03Å; K296-E353 IonicContact NZ-OE1 2.81Å; K296-E353 IonicContact NZ-OE2 2.82Å; K296-E353 PolarHBondContact NZ-OE2 2.9Å; K296-F354 WeakPolarHBondContact CA-O 3.4Å; K296-L355 HydrophobicContact CB-CD1 3.92Å; K296-L355 HydrophobicContact CG-CD1 4.4Å
297A97.3Very high93.9Very high0 Ų056.4 Ų56.40%028%0.275CS..EExtended strand (participates in β ladder)trans-104.5131.1176.100000109.9W278 I279 W343 F348 E353 F354W278-A297 CarbonylContact O-C 3.58Å; W278-A297 WeakPolarHBondContact O-CA 3.47Å; I279-A297 HydrophobicContact CD1-CB 3.57Å; A297-W343 HydrophobicContact CB-CH2 3.99Å; A297-W343 HydrophobicContact CB-CZ3 3.65Å; A297-F348 HydrophobicContact CB-CE2 3.75Å; A297-F348 HydrophobicContact CB-CZ 4.14Å; A297-E353 CarbonylContact O-C 3.59Å; A297-E353 VanDerWaalsContact O-CA 3.25Å; A297-E353 WeakPolarHBondContact O-CA 3.47Å; A297-F354 PolarHBondContact N-O 3.33Å; A297-F354 PolarHBondContact O-N 3.1Å
298K96.9Very high94.5Very high37 Ų3755.6 Ų55.616%0.16127%0.265CS..EExtended strand (participates in β ladder)trans-124.2124.5-179.4-52.7-180173.8164.90110.5I277 W278 E280 K296 Q300 E353I277-K298 WeakPolarHBondContact CA-O 3.46Å; W278-K298 HydrophobicContact CB-CB 4.32Å; W278-K298 PolarHBondContact N-O 3.01Å; W278-K298 PolarHBondContact O-N 3.24Å; E280-K298 IonicContact OE1-NZ 3.5Å; E280-K298 PolarHBondContact OE1-NZ 2.86Å; E280-K298 VanDerWaalsContact OE2-CE 3.22Å; E280-K298 WeakPolarHBondContact OE2-CE 3.28Å; E280-K298 IonicContact OE2-NZ 2.82Å; E280-K298 PolarHBondContact OE2-NZ 2.78Å; K296-K298 HydrophobicContact CG-CG 4.41Å; K298-Q300 PolarHBondContact O-N 2.95Å; K298-E353 HydrophobicContact CB-CG 4.11Å; K298-E353 HydrophobicContact CD-CG 4.36Å; K298-E353 WeakPolarHBondContact CD-OE1 3.48Å; K298-E353 WeakPolarHBondContact CE-OE1 3.44Å; K298-E353 HydrophobicContact CG-CB 4.25Å; K298-E353 HydrophobicContact CG-CG 3.75Å; K298-E353 WeakPolarHBondContact CG-OE1 3.39Å; K298-E353 IonicContact NZ-OE1 2.77Å
299G96.6Very high95.1Very high4 Ų456.4 Ų56.44%0.04127%0.272CS..EExtended strand (participates in β ladder)trans-83.1102.5175.700000111.4L276 F301 F348 G351 K352L276-G299 CarbonylContact O-C 3.57Å; G299-F301 VanDerWaalsContact C-N 3.29Å; G299-F301 PolarHBondContact O-N 2.88Å; G299-F348 VanDerWaalsContact N-CE1 3.35Å; G299-G351 VanDerWaalsContact O-CA 3.27Å; G299-G351 WeakPolarHBondContact O-CA 3.05Å; G299-G351 PolarHBondContact O-N 3.21Å; G299-K352 PolarHBondContact N-O 2.94Å
300Q94.9Very high95.5Very high88 Ų8853.3 Ų53.341%0.41125%0.251SS..  trans-90.940.8179.6-58.4-169.6-23.200113.2P275 L276 W278 K298P275-Q300 PolarHBondContact O-OE1 3.21Å; L276-Q300 PolarHBondContact O-N 2.8Å; W278-Q300 HydrophobicContact CB-CG 4.11Å; K298-Q300 PolarHBondContact O-N 2.95Å
301F94.9Very high95.8Very high18 Ų1851.5 Ų51.58%0.07925%0.247CC..SBendtrans-127.3177.517653.4-88.4000111.4L276 I277 G299 K303 S305 A307 F348 I382 F385L276-F301 HydrophobicContact CB-CD1 4.11Å; L276-F301 HydrophobicContact CD2-CB 4.31Å; L276-F301 VanDerWaalsContact O-CD1 3.25Å; L276-F301 WeakPolarHBondContact O-CD1 3.31Å; I277-F301 HydrophobicContact CG1-CE1 4.1Å; G299-F301 VanDerWaalsContact C-N 3.29Å; G299-F301 PolarHBondContact O-N 2.88Å; F301-K303 PolarHBondContact O-N 2.81Å; F301-S305 WeakPolarHBondContact CE2-O 3.34Å; F301-A307 HydrophobicContact CE1-CB 4.36Å; F301-A307 HydrophobicContact CZ-CB 3.82Å; F301-F348 HydrophobicContact CZ-CD1 4.42Å; F301-F348 WeakPolarHBondContact CZ-O 2.95Å; F301-I382 HydrophobicContact CD1-CD1 4.05Å; F301-I382 HydrophobicContact CD2-CD1 4.29Å; F301-I382 HydrophobicContact CE1-CD1 4.17Å; F301-I382 HydrophobicContact CE2-CD1 4.36Å; F301-I382 HydrophobicContact CG-CD1 4.12Å; F301-I382 HydrophobicContact CZ-CD1 4.32Å; F301-F385 HydrophobicContact CB-CZ 4.32Å
302K94.3Very high96.1Very high123 Ų12351.4 Ų51.454%0.53525%0.246SC..  trans-57.3135.2-174.9-63.5-177.9-176.5175.50111Q304 S305 F385K302-Q304 HydrophobicContact CB-CG 4.25Å; K302-Q304 PolarHBondContact O-N 2.97Å; K302-S305 WeakPolarHBondContact O-CB 3.47Å; K302-S305 PolarHBondContact O-N 3.01Å; K302-F385 HydrophobicContact CD-CE2 4.17Å; K302-F385 HydrophobicContact CG-CE2 4.17Å
303K94.6Very high96.2Very high169 Ų16951 Ų5174%0.73524%0.242SC*.THydrogen-bonded Turntrans-59.4-28.6-178.2-64-178.5178.4178.80114.2F301 S305 G350F301-K303 PolarHBondContact O-N 2.81Å; K303-S305 VanDerWaalsContact C-N 3.3Å; K303-G350 WeakPolarHBondContact CA-O 3.4Å
304Q94.6Very high96.3Very high158 Ų15850.8 Ų50.874%0.73824%0.24SC*.THydrogen-bonded Turntrans-76.5-15.7176.267.3-121.735.300114K302K302-Q304 HydrophobicContact CB-CG 4.25Å; K302-Q304 PolarHBondContact O-N 2.97Å
305S96.3Very high96.2Very high16 Ų1648.5 Ų48.511%0.11223%0.231CC..  trans-92.8151.7177.9-61.90000109.2F301 K302 K303 G350F301-S305 WeakPolarHBondContact CE2-O 3.34Å; K302-S305 WeakPolarHBondContact O-CB 3.47Å; K302-S305 PolarHBondContact O-N 3.01Å; K303-S305 VanDerWaalsContact C-N 3.3Å; S305-G350 PolarHBondContact O-N 2.76Å
306V97.4Very high96Very high46 Ų4649 Ų4928%0.27923%0.234SC..EExtended strand (participates in β ladder)trans-132128.4-178.4178.50000107.5S347 P349V306-S347 WeakPolarHBondContact CG1-OG 3.35Å; V306-P349 HydrophobicContact CG2-CB 4.48Å
307A97.5Very high95.6Very high0 Ų047.1 Ų47.10%023%0.229CC..EExtended strand (participates in β ladder)trans-83.6128.6167.700000109.1I277 F301 V310 F348 F380 E381 I382I277-A307 HydrophobicContact CD1-CB 4.17Å; F301-A307 HydrophobicContact CE1-CB 4.36Å; F301-A307 HydrophobicContact CZ-CB 3.82Å; A307-V310 HydrophobicContact CB-CG2 3.64Å; A307-F348 HydrophobicContact CB-CB 4.21Å; A307-F348 PolarHBondContact N-O 3.48Å; A307-F348 PolarHBondContact O-N 3.42Å; A307-F380 HydrophobicContact CB-CB 4.41Å; A307-E381 CarbonylContact C-O 3.56Å; A307-E381 VanDerWaalsContact CA-O 3.31Å; A307-E381 WeakPolarHBondContact CA-O 3.27Å; A307-I382 HydrophobicContact CB-CD1 4.24Å; A307-I382 HydrophobicContact CB-CG1 3.61Å
308N97.2Very high95.2Very high53 Ų5349.6 Ų49.628%0.28325%0.246SC..EExtended strand (participates in β ladder)trans-95.4147.1178.9-62.7-30.1000109.7V310 K346 E381N308-V310 VanDerWaalsContact C-N 3.26Å; N308-V310 PolarHBondContact O-N 2.85Å; N308-K346 WeakPolarHBondContact CA-O 3.4Å; N308-E381 PolarHBondContact N-O 2.81Å; N308-E381 PolarHBondContact O-N 3.11Å
309N96.1Very high94.8Very high108 Ų10850.1 Ų50.158%0.57825%0.25SS*.EExtended strand (participates in β ladder)trans47.648.6171.3-57.6-33.2000112.9E311 K346N309-E311 PolarHBondContact O-N 2.72Å; N309-K346 PolarHBondContact N-O 3.42Å
310V97.8Very high94.4Very high0 Ų050.2 Ų50.20%025%0.251CS..EExtended strand (participates in β ladder)trans-69.4124.6178.2-178.30000108.7I277 A307 N308 V312 T344 I345 F348 V378 K379 F380I277-V310 HydrophobicContact CD1-CB 4.38Å; I277-V310 HydrophobicContact CD1-CG1 3.69Å; I277-V310 HydrophobicContact CD1-CG2 3.71Å; A307-V310 HydrophobicContact CB-CG2 3.64Å; N308-V310 VanDerWaalsContact C-N 3.26Å; N308-V310 PolarHBondContact O-N 2.85Å; V310-V312 HydrophobicContact CG1-CG2 4.29Å; V310-T344 CarbonylContact O-C 3.6Å; V310-T344 WeakPolarHBondContact O-CA 3.05Å; V310-I345 HydrophobicContact CB-CB 4.3Å; V310-I345 PolarHBondContact N-O 2.86Å; V310-I345 PolarHBondContact O-N 2.97Å; V310-F348 HydrophobicContact CB-CD2 4.48Å; V310-F348 HydrophobicContact CG1-CD2 4.42Å; V310-F348 HydrophobicContact CG2-CB 3.69Å; V310-F348 HydrophobicContact CG2-CD2 4.24Å; V310-F348 HydrophobicContact CG2-CG 4.32Å; V310-V378 HydrophobicContact CG1-CG1 4.08Å; V310-K379 CarbonylContact C-O 3.55Å; V310-K379 VanDerWaalsContact CA-O 3.23Å; V310-K379 WeakPolarHBondContact CA-O 3.42Å; V310-F380 HydrophobicContact CB-CB 4.48Å; V310-F380 HydrophobicContact CG1-CB 4.44Å; V310-F380 HydrophobicContact CG2-CB 3.91Å
311E97.7Very high94.2Very high55 Ų5549.7 Ų49.726%0.25725%0.251SS..EExtended strand (participates in β ladder)trans-116.5115.1172.5-60.5-178.3171.500109.4N309 R313 V342 W343 V378 K379N309-E311 PolarHBondContact O-N 2.72Å; E311-R313 IonicContact OE2-CZ 2.68Å; E311-R313 IonicContact OE2-NE 2.66Å; E311-R313 PolarHBondContact OE2-NE 3.21Å; E311-R313 IonicContact OE2-NH2 3.42Å; E311-R313 PolarHBondContact OE2-NH2 2.89Å; E311-V342 HydrophobicContact CB-CG1 4.33Å; E311-W343 CarbonylContact C-O 3.56Å; E311-W343 WeakPolarHBondContact CA-O 3.35Å; E311-V378 CarbonylContact O-C 3.6Å; E311-V378 WeakPolarHBondContact O-CA 3.47Å; E311-K379 HydrophobicContact CB-CB 4.22Å; E311-K379 PolarHBondContact N-O 3.29Å; E311-K379 PolarHBondContact O-N 2.87Å
312V97.7Very high94.2Very high0 Ų052.3 Ų52.30%027%0.272CS..EExtended strand (participates in β ladder)trans-97.7116.4170.4-173.90000107.8I279 V295 V310 V314 W343 I376 V378I279-V312 HydrophobicContact CD1-CG1 4.03Å; I279-V312 HydrophobicContact CD1-CG2 3.83Å; I279-V312 HydrophobicContact CG1-CG1 4.33Å; I279-V312 HydrophobicContact CG2-CG1 4.45Å; V295-V312 HydrophobicContact CG1-CG1 4.33Å; V310-V312 HydrophobicContact CG1-CG2 4.29Å; V312-V314 HydrophobicContact CG1-CG2 3.93Å; V312-W343 HydrophobicContact CB-CB 4.37Å; V312-W343 HydrophobicContact CB-CE3 4.16Å; V312-W343 HydrophobicContact CG2-CE3 4.08Å; V312-W343 PolarHBondContact N-O 3.21Å; V312-W343 PolarHBondContact O-N 2.76Å; V312-I376 HydrophobicContact CG1-CG2 3.92Å; V312-V378 HydrophobicContact CG1-CG2 4.46Å; V312-V378 HydrophobicContact CG2-CG1 4.27Å
313R97Very high94.2Very high55 Ų5549.1 Ų49.121%0.20826%0.263CS..EExtended strand (participates in β ladder)trans-104.3112.3-178.5-54.3179.1179.5-164.6-8.4108.8E311 M340 V341 V342 I376 T377E311-R313 IonicContact OE2-CZ 2.68Å; E311-R313 IonicContact OE2-NE 2.66Å; E311-R313 PolarHBondContact OE2-NE 3.21Å; E311-R313 IonicContact OE2-NH2 3.42Å; E311-R313 PolarHBondContact OE2-NH2 2.89Å; R313-M340 HydrophobicContact CB-SD 4.13Å; R313-M340 HydrophobicContact CG-SD 4.49Å; R313-V341 CarbonylContact C-O 3.6Å; R313-V341 WeakPolarHBondContact CA-O 3.48Å; R313-V342 HydrophobicContact CG-CG2 4.39Å; R313-I376 WeakPolarHBondContact O-CA 3.39Å; R313-I376 WeakPolarHBondContact O-CG2 3.47Å; R313-T377 WeakPolarHBondContact CB-OG1 3.49Å; R313-T377 PolarHBondContact N-O 2.99Å; R313-T377 PolarHBondContact O-N 3.32Å
314V95.6Very high94.3Very high0 Ų047.8 Ų47.80%026%0.257CS..EExtended strand (participates in β ladder)trans-112.9113.7-173.7-172.60000107.8I293 V295 V312 M340 V341 M356 I376I293-V314 HydrophobicContact CG2-CG1 4.04Å; V295-V314 HydrophobicContact CG2-CG1 4.33Å; V295-V314 HydrophobicContact CG2-CG2 3.95Å; V312-V314 HydrophobicContact CG1-CG2 3.93Å; V314-M340 CarbonylContact O-C 3.57Å; V314-M340 WeakPolarHBondContact O-CA 3.28Å; V314-V341 HydrophobicContact CB-CB 4.48Å; V314-V341 PolarHBondContact N-O 2.77Å; V314-V341 PolarHBondContact O-N 3.48Å; V314-M356 HydrophobicContact CG2-CE 4.38Å; V314-I376 HydrophobicContact CG1-CD1 4.2Å; V314-I376 HydrophobicContact CG1-CG1 4.18Å; V314-I376 HydrophobicContact CG2-CD1 4.45Å; V314-I376 HydrophobicContact CG2-CG1 4.47Å
315P93.6Very high94.4Very high25 Ų2543 Ų4316%0.16223%0.234CC..EExtended strand (participates in β ladder)trans-62.2145.9176.4-24.636.6000112P374P315-P374 HydrophobicContact CB-CB 4.45Å; P315-P374 HydrophobicContact CB-CG 3.55Å; P315-P374 HydrophobicContact CG-CB 4.01Å; P315-P374 HydrophobicContact CG-CG 3.65Å; P315-P374 WeakPolarHBondContact CG-O 3.41Å
316V91.9Very high94.4Very high10 Ų1050.3 Ų50.36%0.06126%0.264CS..  trans-132.2158.1176-580000109.2I293 A320 Y334 N339 V341 F360I293-V316 HydrophobicContact CD1-CG1 3.58Å; V316-A320 HydrophobicContact CG2-CB 4.45Å; V316-Y334 HydrophobicContact CG2-CD2 4.1Å; V316-Y334 HydrophobicContact CG2-CE2 3.4Å; V316-N339 PolarHBondContact N-O 3.3Å; V316-N339 VanDerWaalsContact O-O 3.07Å; V316-V341 HydrophobicContact CG1-CG2 3.71Å; V316-F360 HydrophobicContact CG1-CD2 4.46Å; V316-F360 HydrophobicContact CG1-CE2 3.87Å; V316-F360 HydrophobicContact CG1-CZ 4.07Å
317P88.8Confident94.4Very high25 Ų2550.5 Ų50.516%0.16227%0.266CS..  trans-55.6146.1175.8-26.637000112.3V291 D319 A320 L362 E371V291-P317 HydrophobicContact CG2-CG 4.28Å; P317-D319 WeakPolarHBondContact CB-OD1 3.44Å; P317-D319 PolarHBondContact O-N 2.82Å; P317-A320 HydrophobicContact CB-CB 4.35Å; P317-A320 WeakPolarHBondContact O-CB 3.47Å; P317-A320 PolarHBondContact O-N 3.34Å; P317-L362 HydrophobicContact CB-CD2 4.16Å; P317-L362 HydrophobicContact CG-CD2 4.3Å; P317-E371 WeakPolarHBondContact CA-OE2 3.43Å
318S88.1Confident94.3Very high52 Ų5254 Ų5436%0.36429%0.29SS..THydrogen-bonded Turntrans-67.5-25.1-177.974.50000113.6A320 N339 E371S318-A320 VanDerWaalsContact C-N 3.32Å; S318-N339 WeakPolarHBondContact CB-ND2 3.34Å; S318-E371 WeakPolarHBondContact CB-OE1 3.23Å; S318-E371 PolarHBondContact N-OE1 2.56Å; S318-E371 VanDerWaalsContact N-OE1 3.12Å; S318-E371 PolarHBondContact N-OE2 2.92Å; S318-E371 VanDerWaalsContact N-OE2 3.15Å; S318-E371 PolarHBondContact OG-OE1 2.96Å
319D87.5Confident94.2Very high47 Ų4754 Ų5425%0.25129%0.292SS..THydrogen-bonded Turntrans-88.52.7178.766.4-17000113.3P317 D321 L362 P363P317-D319 WeakPolarHBondContact CB-OD1 3.44Å; P317-D319 PolarHBondContact O-N 2.82Å; D319-D321 PolarHBondContact O-N 2.46Å; D319-L362 WeakPolarHBondContact OD1-CD2 3.43Å; D319-P363 HydrophobicContact CB-CG 3.84Å; D319-P363 WeakPolarHBondContact O-CD 3.42Å; D319-P363 WeakPolarHBondContact OD2-CD 3.46Å
320A89.3Confident94.2Very high6 Ų650.7 Ų50.75%0.0528%0.283CS..  trans-68.1129.1-178.500000112.3V316 P317 S318 Y334 F360 G361V316-A320 HydrophobicContact CG2-CB 4.45Å; P317-A320 HydrophobicContact CB-CB 4.35Å; P317-A320 WeakPolarHBondContact O-CB 3.47Å; P317-A320 PolarHBondContact O-N 3.34Å; S318-A320 VanDerWaalsContact C-N 3.32Å; A320-Y334 PolarHBondContact O-OH 2.78Å; A320-F360 HydrophobicContact CB-CB 4.02Å; A320-F360 HydrophobicContact CB-CD1 3.73Å; A320-F360 HydrophobicContact CB-CE1 4.47Å; A320-F360 HydrophobicContact CB-CG 4.05Å; A320-G361 WeakPolarHBondContact CA-O 3.44Å
321D90.8Very high94.2Very high77 Ų7754.3 Ų54.341%0.41231%0.308SS..EExtended strand (participates in β ladder)trans-123.1-178.6179.682.716.7000113.3D319 F360 G361D319-D321 PolarHBondContact O-N 2.46Å; D321-F360 WeakPolarHBondContact O-CA 3.19Å; D321-G361 PolarHBondContact N-O 3.25Å; D321-G361 PolarHBondContact O-N 3.14Å; D321-G361 VanDerWaalsContact OD1-CA 3.3Å; D321-G361 WeakPolarHBondContact OD1-CA 3.39Å
322S93.7Very high94.2Very high74 Ų7452.7 Ų52.752%0.51730%0.304SS..EExtended strand (participates in β ladder)trans48.651.6168.8-53.20000114.9K324S322-K324 PolarHBondContact O-N 2.71Å
323P95.7Very high94.1Very high56 Ų5659.7 Ų59.736%0.36434%0.335SS..EExtended strand (participates in β ladder)trans-63.6130.2-172.727-36.2000112F325 Y334 F360P323-F325 HydrophobicContact CB-CE2 3.73Å; P323-F325 HydrophobicContact CB-CZ 3.71Å; P323-Y334 HydrophobicContact CB-CD1 4.31Å; P323-Y334 HydrophobicContact CB-CG 4.41Å; P323-Y334 HydrophobicContact CG-CD1 3.99Å; P323-Y334 HydrophobicContact CG-CG 4.46Å; P323-F360 HydrophobicContact CB-CD1 4.11Å; P323-F360 HydrophobicContact CB-CE1 3.59Å; P323-F360 HydrophobicContact CB-CZ 4.09Å
324K96.1Very high94Very high140 Ų14058.7 Ų58.761%0.60933%0.331SS*.EExtended strand (participates in β ladder)trans-128125.1172.5-66174.8-173.8170.90110S322 A358 H359S322-K324 PolarHBondContact O-N 2.71Å; K324-A358 CarbonylContact O-C 3.54Å; K324-A358 WeakPolarHBondContact O-CA 3.39Å; K324-H359 HydrophobicContact CB-CB 4.29Å; K324-H359 PolarHBondContact N-O 3.09Å; K324-H359 PolarHBondContact O-N 3.2Å
325F96.8Very high94Very high58 Ų5860.2 Ų60.225%0.25434%0.341SS..EExtended strand (participates in β ladder)trans-117.5141.2-176.8-56-67000112.2P323 A332 V341 R357 A358 F360P323-F325 HydrophobicContact CB-CE2 3.73Å; P323-F325 HydrophobicContact CB-CZ 3.71Å; F325-A332 HydrophobicContact CB-CB 3.97Å; F325-A332 HydrophobicContact CD1-CB 3.79Å; F325-A332 HydrophobicContact CD2-CB 4.26Å; F325-A332 HydrophobicContact CE1-CB 4.37Å; F325-A332 HydrophobicContact CG-CB 3.73Å; F325-V341 HydrophobicContact CD1-CG1 4.38Å; F325-V341 HydrophobicContact CE1-CB 4.39Å; F325-V341 HydrophobicContact CE1-CG1 3.7Å; F325-V341 HydrophobicContact CE1-CG2 3.68Å; F325-V341 HydrophobicContact CZ-CG1 4.21Å; F325-V341 HydrophobicContact CZ-CG2 3.95Å; F325-R357 CarbonylContact C-O 3.53Å; F325-R357 WeakPolarHBondContact CA-O 3.24Å; F325-A358 HydrophobicContact CD1-CB 3.56Å; F325-A358 HydrophobicContact CE1-CB 3.58Å; F325-F360 HydrophobicContact CE1-CE2 4.14Å; F325-F360 AromaticContact CE1-CZ 3.9Å; F325-F360 HydrophobicContact CE1-CZ 3.9Å; F325-F360 AromaticContact CZ-CZ 3.86Å; F325-F360 HydrophobicContact CZ-CZ 3.86Å
326K96.9Very high93.9Very high169 Ų16962.6 Ų62.674%0.73536%0.356SS*.EExtended strand (participates in β ladder)trans-131.8113166.6-67.8-176.8179.1179.10108.6R357K326-R357 HydrophobicContact CB-CB 4.45Å; K326-R357 PolarHBondContact N-O 2.74Å; K326-R357 PolarHBondContact O-N 2.89Å
327T96.6Very high93.9Very high51 Ų5170.9 Ų70.931%0.31339%0.394SS..EExtended strand (participates in β ladder)trans-112.2142.9178.951.50000110.2T329 G330 A332 M356T327-T329 VanDerWaalsContact C-N 3.34Å; T327-G330 PolarHBondContact OG1-O 2.89Å; T327-A332 HydrophobicContact CG2-CB 3.97Å; T327-M356 HydrophobicContact CG2-CB 4.06Å; T327-M356 HydrophobicContact CG2-CG 3.58Å
328S95.9Very high94Very high72 Ų7275.9 Ų75.950%0.50341%0.413SS..SBendtrans-73.5-31.2169.165.90000111.6L355S328-L355 PolarHBondContact N-O 3.2Å; S328-L355 PolarHBondContact OG-N 2.82Å; S328-L355 PolarHBondContact OG-O 2.99Å
329T95.7Very high94.2Very high55 Ų5576.4 Ų76.434%0.33741%0.412SS..SBendtrans-155.5149.8-179.2-60.30000109T327 W343 I345 F354T327-T329 VanDerWaalsContact C-N 3.34Å; T329-W343 PolarHBondContact O-NE1 3.04Å; T329-I345 HydrophobicContact CG2-CG2 4.28Å; T329-F354 HydrophobicContact CG2-CE1 4.37Å; T329-F354 HydrophobicContact CG2-CE2 4.49Å; T329-F354 HydrophobicContact CG2-CZ 4.29Å; T329-F354 WeakPolarHBondContact OG1-CD1 3.39Å; T329-F354 WeakPolarHBondContact OG1-CE1 3.18Å
330G95.5Very high94.5Very high37 Ų3775.9 Ų75.938%0.38141%0.408SS..SBendtrans73.7-173.5-177.300000112.9T327 T344T327-G330 PolarHBondContact OG1-O 2.89Å; G330-T344 CarbonylContact C-O 3.56Å; G330-T344 WeakPolarHBondContact CA-O 3.32Å
331S97Very high94.8Very high76 Ų7675.6 Ų75.653%0.53141%0.406SS..EExtended strand (participates in β ladder)trans-124.4139.2-176.254.90000110.3T344S331-T344 PolarHBondContact N-O 3.44Å; S331-T344 PolarHBondContact O-N 3.47Å
332A97.3Very high95.1Very high21 Ų2173 Ų7317%0.17439%0.393CS..EExtended strand (participates in β ladder)trans-107.5137.2172.200000110.1F325 T327 V341 V342 W343 M356F325-A332 HydrophobicContact CB-CB 3.97Å; F325-A332 HydrophobicContact CD1-CB 3.79Å; F325-A332 HydrophobicContact CD2-CB 4.26Å; F325-A332 HydrophobicContact CE1-CB 4.37Å; F325-A332 HydrophobicContact CG-CB 3.73Å; T327-A332 HydrophobicContact CG2-CB 3.97Å; A332-V341 HydrophobicContact CB-CG1 4.19Å; A332-V342 WeakPolarHBondContact CA-O 3.49Å; A332-W343 HydrophobicContact CB-CB 4.47Å; A332-M356 HydrophobicContact CB-CG 4.22Å
333K96.2Very high95.3Very high148 Ų14869.5 Ų69.564%0.64337%0.369SS*.EExtended strand (participates in β ladder)trans-129.2135.7177.4-176.1-178.8176.8-173.90109.6V341 V342K333-V341 WeakPolarHBondContact O-CA 3.41Å; K333-V342 PolarHBondContact N-O 3.43Å; K333-V342 PolarHBondContact O-N 3.33Å
334Y96Very high95.4Very high33 Ų3368.9 Ų68.913%0.12936%0.364CS..EExtended strand (participates in β ladder)trans-79.8134.2168.9-175.3-147.1000110.2V316 A320 P323 P336 F360V316-Y334 HydrophobicContact CG2-CD2 4.1Å; V316-Y334 HydrophobicContact CG2-CE2 3.4Å; A320-Y334 PolarHBondContact O-OH 2.78Å; P323-Y334 HydrophobicContact CB-CD1 4.31Å; P323-Y334 HydrophobicContact CB-CG 4.41Å; P323-Y334 HydrophobicContact CG-CD1 3.99Å; P323-Y334 HydrophobicContact CG-CG 4.46Å; Y334-P336 HydrophobicContact CD1-CG 3.79Å; Y334-P336 HydrophobicContact CE1-CB 4.11Å; Y334-P336 HydrophobicContact CE1-CG 3.67Å; Y334-P336 HydrophobicContact CG-CG 4.37Å; Y334-F360 HydrophobicContact CD1-CE1 4.1Å; Y334-F360 AromaticContact CD2-CE1 3.87Å; Y334-F360 HydrophobicContact CD2-CE1 3.87Å; Y334-F360 HydrophobicContact CD2-CZ 4.14Å; Y334-F360 HydrophobicContact CE1-CE1 4.25Å; Y334-F360 HydrophobicContact CE2-CE1 4.11Å; Y334-F360 AromaticContact CG-CE1 3.9Å; Y334-F360 HydrophobicContact CG-CE1 3.9Å; Y334-F360 HydrophobicContact CG-CZ 4.36Å
335V95.3Very high95.5Very high33 Ų3362.2 Ų62.220%0.234%0.335CS..EExtended strand (participates in β ladder)trans-12189.6175.8-174.50000108E337 K338 N339 M340 V342V335-E337 VanDerWaalsContact C-N 3.34Å; V335-E337 PolarHBondContact O-N 2.71Å; V335-K338 HydrophobicContact CG1-CB 4.21Å; V335-K338 HydrophobicContact CG1-CD 4.47Å; V335-K338 HydrophobicContact CG1-CG 4.27Å; V335-K338 PolarHBondContact O-N 2.61Å; V335-N339 PolarHBondContact O-N 3.39Å; V335-M340 HydrophobicContact CB-CG 4.33Å; V335-M340 PolarHBondContact N-O 3.05Å; V335-M340 PolarHBondContact O-N 2.9Å; V335-V342 HydrophobicContact CG2-CG2 3.8Å
336P91.2Very high95.5Very high75 Ų7567.3 Ų67.349%0.48736%0.357SS..G310 helixtrans-61.2-38.7-176-2130.2000113.2Y334 K338 N339Y334-P336 HydrophobicContact CD1-CG 3.79Å; Y334-P336 HydrophobicContact CE1-CB 4.11Å; Y334-P336 HydrophobicContact CE1-CG 3.67Å; Y334-P336 HydrophobicContact CG-CG 4.37Å; P336-K338 PolarHBondContact O-N 3.09Å; P336-N339 PolarHBondContact O-N 3Å; P336-N339 PolarHBondContact O-OD1 3.26Å
337E91.7Very high95.5Very high184 Ų18462.3 Ų62.386%0.8634%0.343SS*.G310 helixtrans-56-20.1178.9-62.8169.1-162.400114.1V335V335-E337 VanDerWaalsContact C-N 3.34Å; V335-E337 PolarHBondContact O-N 2.71Å
338K90.6Very high95.6Very high130 Ų13059.9 Ų59.957%0.56533%0.328SS*.G310 helixtrans-1238.1-179.1-61.7-174179.3-179.50112.8V335 P336 M340V335-K338 HydrophobicContact CG1-CB 4.21Å; V335-K338 HydrophobicContact CG1-CD 4.47Å; V335-K338 HydrophobicContact CG1-CG 4.27Å; V335-K338 PolarHBondContact O-N 2.61Å; P336-K338 PolarHBondContact O-N 3.09Å; K338-M340 VanDerWaalsContact C-N 3.28Å; K338-M340 HydrophobicContact CB-CE 3.86Å; K338-M340 HydrophobicContact CB-CG 3.85Å; K338-M340 HydrophobicContact CB-SD 4.05Å; K338-M340 HydrophobicContact CD-SD 4.43Å; K338-M340 PolarHBondContact O-N 3.2Å
339N91.9Very high95.6Very high62 Ų6258.3 Ų58.333%0.33232%0.316SS..THydrogen-bonded Turntrans46.849-177-57.3-31.5000112.4V316 S318 V335 P336V316-N339 PolarHBondContact N-O 3.3Å; V316-N339 VanDerWaalsContact O-O 3.07Å; S318-N339 WeakPolarHBondContact CB-ND2 3.34Å; V335-N339 PolarHBondContact O-N 3.39Å; P336-N339 PolarHBondContact O-N 3Å; P336-N339 PolarHBondContact O-OD1 3.26Å
340M93.9Very high95.7Very high36 Ų3655.9 Ų55.918%0.17730%0.302CS..EExtended strand (participates in β ladder)trans-147.5153.3-177.365.9177.95800114.4R313 V314 V335 K338 V342R313-M340 HydrophobicContact CB-SD 4.13Å; R313-M340 HydrophobicContact CG-SD 4.49Å; V314-M340 CarbonylContact O-C 3.57Å; V314-M340 WeakPolarHBondContact O-CA 3.28Å; V335-M340 HydrophobicContact CB-CG 4.33Å; V335-M340 PolarHBondContact N-O 3.05Å; V335-M340 PolarHBondContact O-N 2.9Å; K338-M340 VanDerWaalsContact C-N 3.28Å; K338-M340 HydrophobicContact CB-CE 3.86Å; K338-M340 HydrophobicContact CB-CG 3.85Å; K338-M340 HydrophobicContact CB-SD 4.05Å; K338-M340 HydrophobicContact CD-SD 4.43Å; K338-M340 PolarHBondContact O-N 3.2Å; M340-V342 HydrophobicContact CG-CG2 4.43Å; M340-V342 HydrophobicContact SD-CG2 4.41Å
341V95.9Very high95.7Very high1 Ų156.4 Ų56.41%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-94.4129.4166.4176.10000109.4R313 V314 V316 F325 A332 K333 M356 F360R313-V341 CarbonylContact C-O 3.6Å; R313-V341 WeakPolarHBondContact CA-O 3.48Å; V314-V341 HydrophobicContact CB-CB 4.48Å; V314-V341 PolarHBondContact N-O 2.77Å; V314-V341 PolarHBondContact O-N 3.48Å; V316-V341 HydrophobicContact CG1-CG2 3.71Å; F325-V341 HydrophobicContact CD1-CG1 4.38Å; F325-V341 HydrophobicContact CE1-CB 4.39Å; F325-V341 HydrophobicContact CE1-CG1 3.7Å; F325-V341 HydrophobicContact CE1-CG2 3.68Å; F325-V341 HydrophobicContact CZ-CG1 4.21Å; F325-V341 HydrophobicContact CZ-CG2 3.95Å; A332-V341 HydrophobicContact CB-CG1 4.19Å; K333-V341 WeakPolarHBondContact O-CA 3.41Å; V341-M356 HydrophobicContact CG1-CE 4.1Å; V341-F360 HydrophobicContact CG2-CE2 3.68Å; V341-F360 HydrophobicContact CG2-CZ 3.34Å
342V97.4Very high95.7Very high23 Ų2358.4 Ų58.414%0.13931%0.306CS..EExtended strand (participates in β ladder)trans-105.4111.1171.9-175.80000108.4E311 R313 A332 K333 V335 M340E311-V342 HydrophobicContact CB-CG1 4.33Å; R313-V342 HydrophobicContact CG-CG2 4.39Å; A332-V342 WeakPolarHBondContact CA-O 3.49Å; K333-V342 PolarHBondContact N-O 3.43Å; K333-V342 PolarHBondContact O-N 3.33Å; V335-V342 HydrophobicContact CG2-CG2 3.8Å; M340-V342 HydrophobicContact CG-CG2 4.43Å; M340-V342 HydrophobicContact SD-CG2 4.41Å
343W98.2Very high95.7Very high0 Ų062.1 Ų62.10%032%0.32CS..EExtended strand (participates in β ladder)trans-98.1112.1172.7177.731.3000110.2V295 A297 E311 V312 T329 A332 I345 F354 M356V295-W343 HydrophobicContact CG1-CE3 4.47Å; V295-W343 HydrophobicContact CG1-CZ3 4.34Å; A297-W343 HydrophobicContact CB-CH2 3.99Å; A297-W343 HydrophobicContact CB-CZ3 3.65Å; E311-W343 CarbonylContact C-O 3.56Å; E311-W343 WeakPolarHBondContact CA-O 3.35Å; V312-W343 HydrophobicContact CB-CB 4.37Å; V312-W343 HydrophobicContact CB-CE3 4.16Å; V312-W343 HydrophobicContact CG2-CE3 4.08Å; V312-W343 PolarHBondContact N-O 3.21Å; V312-W343 PolarHBondContact O-N 2.76Å; T329-W343 PolarHBondContact O-NE1 3.04Å; A332-W343 HydrophobicContact CB-CB 4.47Å; W343-I345 HydrophobicContact CD2-CD1 4.08Å; W343-I345 HydrophobicContact CD2-CG1 4.3Å; W343-I345 HydrophobicContact CE3-CD1 4.37Å; W343-I345 HydrophobicContact CH2-CD1 3.82Å; W343-I345 HydrophobicContact CZ2-CD1 3.48Å; W343-I345 VanDerWaalsContact CZ2-CD1 3.48Å; W343-I345 HydrophobicContact CZ2-CG1 4.03Å; W343-I345 HydrophobicContact CZ3-CD1 4.25Å; W343-F354 HydrophobicContact CH2-CB 3.66Å; W343-F354 HydrophobicContact CZ2-CB 3.77Å; W343-M356 HydrophobicContact CD2-CB 3.65Å; W343-M356 HydrophobicContact CD2-CG 4.16Å; W343-M356 HydrophobicContact CE3-CB 3.73Å; W343-M356 HydrophobicContact CG-CB 4.18Å; W343-M356 HydrophobicContact CG-CG 4.15Å; W343-M356 HydrophobicContact CH2-CB 4.11Å; W343-M356 HydrophobicContact CZ2-CB 4.04Å; W343-M356 HydrophobicContact CZ3-CB 3.96Å
344T98Very high95.7Very high42 Ų4256.6 Ų56.626%0.25830%0.296SS..EExtended strand (participates in β ladder)trans-104.7125.9-175.5-52.50000111.2V310 G330 S331V310-T344 CarbonylContact O-C 3.6Å; V310-T344 WeakPolarHBondContact O-CA 3.05Å; G330-T344 CarbonylContact C-O 3.56Å; G330-T344 WeakPolarHBondContact CA-O 3.32Å; S331-T344 PolarHBondContact N-O 3.44Å; S331-T344 PolarHBondContact O-N 3.47Å
345I98Very high95.8Very high0 Ų057.6 Ų57.60%030%0.303CS..EExtended strand (participates in β ladder)trans-123.3107.3177.3-53.9166.9000107.7V310 T329 W343 S347 F348 F354V310-I345 HydrophobicContact CB-CB 4.3Å; V310-I345 PolarHBondContact N-O 2.86Å; V310-I345 PolarHBondContact O-N 2.97Å; T329-I345 HydrophobicContact CG2-CG2 4.28Å; W343-I345 HydrophobicContact CD2-CD1 4.08Å; W343-I345 HydrophobicContact CD2-CG1 4.3Å; W343-I345 HydrophobicContact CE3-CD1 4.37Å; W343-I345 HydrophobicContact CH2-CD1 3.82Å; W343-I345 HydrophobicContact CZ2-CD1 3.48Å; W343-I345 VanDerWaalsContact CZ2-CD1 3.48Å; W343-I345 HydrophobicContact CZ2-CG1 4.03Å; W343-I345 HydrophobicContact CZ3-CD1 4.25Å; I345-S347 VanDerWaalsContact C-N 3.3Å; I345-S347 WeakPolarHBondContact CG2-O 3.07Å; I345-S347 PolarHBondContact O-N 3.01Å; I345-F348 HydrophobicContact CB-CD2 4.49Å; I345-F348 HydrophobicContact CD1-CD2 3.7Å; I345-F348 HydrophobicContact CD1-CE2 3.86Å; I345-F348 HydrophobicContact CG2-CB 4.18Å; I345-F348 HydrophobicContact CG2-CD2 4.17Å; I345-F354 HydrophobicContact CD1-CD2 4.11Å; I345-F354 HydrophobicContact CG2-CD2 4.3Å; I345-F354 HydrophobicContact CG2-CE2 4.25Å
346K96.8Very high95.9Very high166 Ų16656 Ų5672%0.72229%0.294SS*.EExtended strand (participates in β ladder)trans-60.4-38.1-175.8-69.9-172.1176.5-176.20113.4N308 N309N308-K346 WeakPolarHBondContact CA-O 3.4Å; N309-K346 PolarHBondContact N-O 3.42Å
347S96.9Very high96.2Very high63 Ų6358.9 Ų58.944%0.44130%0.295SS..EExtended strand (participates in β ladder)trans-138.8118.6-177.9-176.70000109.5V306 I345V306-S347 WeakPolarHBondContact CG1-OG 3.35Å; I345-S347 VanDerWaalsContact C-N 3.3Å; I345-S347 WeakPolarHBondContact CG2-O 3.07Å; I345-S347 PolarHBondContact O-N 3.01Å
348F97.8Very high96.4Very high0 Ų050.3 Ų50.30%026%0.256CS..EExtended strand (participates in β ladder)trans-12297.1-178.9-162.8-47.3000109.1A297 G299 F301 A307 V310 I345 K352 F354A297-F348 HydrophobicContact CB-CE2 3.75Å; A297-F348 HydrophobicContact CB-CZ 4.14Å; G299-F348 VanDerWaalsContact N-CE1 3.35Å; F301-F348 HydrophobicContact CZ-CD1 4.42Å; F301-F348 WeakPolarHBondContact CZ-O 2.95Å; A307-F348 HydrophobicContact CB-CB 4.21Å; A307-F348 PolarHBondContact N-O 3.48Å; A307-F348 PolarHBondContact O-N 3.42Å; V310-F348 HydrophobicContact CB-CD2 4.48Å; V310-F348 HydrophobicContact CG1-CD2 4.42Å; V310-F348 HydrophobicContact CG2-CB 3.69Å; V310-F348 HydrophobicContact CG2-CD2 4.24Å; V310-F348 HydrophobicContact CG2-CG 4.32Å; I345-F348 HydrophobicContact CB-CD2 4.49Å; I345-F348 HydrophobicContact CD1-CD2 3.7Å; I345-F348 HydrophobicContact CD1-CE2 3.86Å; I345-F348 HydrophobicContact CG2-CB 4.18Å; I345-F348 HydrophobicContact CG2-CD2 4.17Å; F348-K352 HydrophobicContact CE1-CB 4.42Å; F348-K352 WeakPolarHBondContact CE1-O 3.46Å; F348-F354 HydrophobicContact CD1-CD2 4.43Å; F348-F354 HydrophobicContact CD1-CE2 4.17Å; F348-F354 AromaticContact CD2-CD2 3.85Å; F348-F354 HydrophobicContact CD2-CD2 3.85Å; F348-F354 HydrophobicContact CD2-CE2 4.13Å; F348-F354 HydrophobicContact CE1-CD2 4.22Å; F348-F354 HydrophobicContact CE1-CE2 4.28Å; F348-F354 AromaticContact CE2-CD2 3.63Å; F348-F354 HydrophobicContact CE2-CD2 3.63Å; F348-F354 HydrophobicContact CE2-CE2 4.27Å; F348-F354 HydrophobicContact CG-CD2 4.23Å; F348-F354 HydrophobicContact CG-CE2 4.06Å; F348-F354 AromaticContact CZ-CD2 3.82Å; F348-F354 HydrophobicContact CZ-CD2 3.82Å; F348-F354 HydrophobicContact CZ-CE2 4.33Å
349P97.4Very high96.7Very high40 Ų4046.8 Ų46.826%0.2624%0.241SC..EExtended strand (participates in β ladder)trans-68.9146177-19.732.9000112.9V306 K352V306-P349 HydrophobicContact CG2-CB 4.48Å; P349-K352 HydrophobicContact CB-CG 4.03Å; P349-K352 HydrophobicContact CG-CG 4.44Å; P349-K352 WeakPolarHBondContact O-CB 3.19Å; P349-K352 PolarHBondContact O-N 3.02Å
350G96.8Very high96.8Very high4 Ų443.9 Ų43.94%0.04123%0.226CC..THydrogen-bonded Turntrans-61.1144.4176.200000112.7K303 S305 K352K303-G350 WeakPolarHBondContact CA-O 3.4Å; S305-G350 PolarHBondContact O-N 2.76Å; G350-K352 PolarHBondContact O-N 3.02Å
351G95.6Very high96.7Very high47 Ų4742.7 Ų42.749%0.48522%0.223SC..THydrogen-bonded Turntrans72.67.2-178.300000115.1G299G299-G351 VanDerWaalsContact O-CA 3.27Å; G299-G351 WeakPolarHBondContact O-CA 3.05Å; G299-G351 PolarHBondContact O-N 3.21Å
352K96.8Very high96.4Very high118 Ų11843.3 Ų43.351%0.51323%0.226SC..  trans-94.2158.4171.9-66.9-67.4-174.6174.70111.3G299 F348 P349 G350 F354G299-K352 PolarHBondContact N-O 2.94Å; F348-K352 HydrophobicContact CE1-CB 4.42Å; F348-K352 WeakPolarHBondContact CE1-O 3.46Å; P349-K352 HydrophobicContact CB-CG 4.03Å; P349-K352 HydrophobicContact CG-CG 4.44Å; P349-K352 WeakPolarHBondContact O-CB 3.19Å; P349-K352 PolarHBondContact O-N 3.02Å; G350-K352 PolarHBondContact O-N 3.02Å; K352-F354 HydrophobicContact CB-CE2 4.48Å; K352-F354 HydrophobicContact CB-CZ 4.23Å
353E96.9Very high96Very high99 Ų9944.7 Ų44.746%0.46324%0.235SC..EExtended strand (participates in β ladder)trans-129.6138.2174.9-50.2-171.6151.100108.8K296 A297 K298K296-E353 WeakPolarHBondContact CE-OE2 3.03Å; K296-E353 IonicContact NZ-OE1 2.81Å; K296-E353 IonicContact NZ-OE2 2.82Å; K296-E353 PolarHBondContact NZ-OE2 2.9Å; A297-E353 CarbonylContact O-C 3.59Å; A297-E353 VanDerWaalsContact O-CA 3.25Å; A297-E353 WeakPolarHBondContact O-CA 3.47Å; K298-E353 HydrophobicContact CB-CG 4.11Å; K298-E353 HydrophobicContact CD-CG 4.36Å; K298-E353 WeakPolarHBondContact CD-OE1 3.48Å; K298-E353 WeakPolarHBondContact CE-OE1 3.44Å; K298-E353 HydrophobicContact CG-CB 4.25Å; K298-E353 HydrophobicContact CG-CG 3.75Å; K298-E353 WeakPolarHBondContact CG-OE1 3.39Å; K298-E353 IonicContact NZ-OE1 2.77Å
354F97.8Very high95.3Very high32 Ų3249.1 Ų49.114%0.1427%0.266CS..EExtended strand (participates in β ladder)trans-128.9156.4176.7-61.7-50.9000110.1K296 A297 T329 W343 I345 F348 K352K296-F354 WeakPolarHBondContact CA-O 3.4Å; A297-F354 PolarHBondContact N-O 3.33Å; A297-F354 PolarHBondContact O-N 3.1Å; T329-F354 HydrophobicContact CG2-CE1 4.37Å; T329-F354 HydrophobicContact CG2-CE2 4.49Å; T329-F354 HydrophobicContact CG2-CZ 4.29Å; T329-F354 WeakPolarHBondContact OG1-CD1 3.39Å; T329-F354 WeakPolarHBondContact OG1-CE1 3.18Å; W343-F354 HydrophobicContact CH2-CB 3.66Å; W343-F354 HydrophobicContact CZ2-CB 3.77Å; I345-F354 HydrophobicContact CD1-CD2 4.11Å; I345-F354 HydrophobicContact CG2-CD2 4.3Å; I345-F354 HydrophobicContact CG2-CE2 4.25Å; F348-F354 HydrophobicContact CD1-CD2 4.43Å; F348-F354 HydrophobicContact CD1-CE2 4.17Å; F348-F354 AromaticContact CD2-CD2 3.85Å; F348-F354 HydrophobicContact CD2-CD2 3.85Å; F348-F354 HydrophobicContact CD2-CE2 4.13Å; F348-F354 HydrophobicContact CE1-CD2 4.22Å; F348-F354 HydrophobicContact CE1-CE2 4.28Å; F348-F354 AromaticContact CE2-CD2 3.63Å; F348-F354 HydrophobicContact CE2-CD2 3.63Å; F348-F354 HydrophobicContact CE2-CE2 4.27Å; F348-F354 HydrophobicContact CG-CD2 4.23Å; F348-F354 HydrophobicContact CG-CE2 4.06Å; F348-F354 AromaticContact CZ-CD2 3.82Å; F348-F354 HydrophobicContact CZ-CD2 3.82Å; F348-F354 HydrophobicContact CZ-CE2 4.33Å; K352-F354 HydrophobicContact CB-CE2 4.48Å; K352-F354 HydrophobicContact CB-CZ 4.23Å
355L97.5Very high94.5Very high54 Ų5452.8 Ų52.828%0.28329%0.288SS..EExtended strand (participates in β ladder)trans-125.8138.6-177.5-168.576000110.4M294 V295 K296 S328 R357M294-L355 HydrophobicContact CG-CD1 3.77Å; M294-L355 HydrophobicContact CG-CG 4.46Å; M294-L355 HydrophobicContact SD-CD1 4.09Å; M294-L355 HydrophobicContact SD-CD2 4.49Å; V295-L355 CarbonylContact O-C 3.54Å; V295-L355 WeakPolarHBondContact O-CA 3.38Å; K296-L355 HydrophobicContact CB-CD1 3.92Å; K296-L355 HydrophobicContact CG-CD1 4.4Å; S328-L355 PolarHBondContact N-O 3.2Å; S328-L355 PolarHBondContact OG-N 2.82Å; S328-L355 PolarHBondContact OG-O 2.99Å; L355-R357 HydrophobicContact CD2-CG 4.39Å
356M97.6Very high93.4Very high0 Ų058 Ų580%031%0.313CS..EExtended strand (participates in β ladder)trans-124.5134.7167.1-177.2-82.1-74.800108.7V295 V314 T327 A332 V341 W343 A358V295-M356 HydrophobicContact CB-CE 4.04Å; V295-M356 HydrophobicContact CG2-CE 3.73Å; V295-M356 PolarHBondContact N-O 2.87Å; V295-M356 PolarHBondContact O-N 3.3Å; V314-M356 HydrophobicContact CG2-CE 4.38Å; T327-M356 HydrophobicContact CG2-CB 4.06Å; T327-M356 HydrophobicContact CG2-CG 3.58Å; A332-M356 HydrophobicContact CB-CG 4.22Å; V341-M356 HydrophobicContact CG1-CE 4.1Å; W343-M356 HydrophobicContact CD2-CB 3.65Å; W343-M356 HydrophobicContact CD2-CG 4.16Å; W343-M356 HydrophobicContact CE3-CB 3.73Å; W343-M356 HydrophobicContact CG-CB 4.18Å; W343-M356 HydrophobicContact CG-CG 4.15Å; W343-M356 HydrophobicContact CH2-CB 4.11Å; W343-M356 HydrophobicContact CZ2-CB 4.04Å; W343-M356 HydrophobicContact CZ3-CB 3.96Å; M356-A358 HydrophobicContact SD-CB 3.76Å
357R97Very high92.2Very high135 Ų13554.8 Ų54.851%0.50930%0.303SS..EExtended strand (participates in β ladder)trans-117.6127.9168-66.1-175.8-177.4-158.10108.5I293 M294 F325 K326 L355I293-R357 CarbonylContact O-C 3.55Å; I293-R357 WeakPolarHBondContact O-CA 3.45Å; M294-R357 HydrophobicContact CE-CG 4.44Å; M294-R357 VanDerWaalsContact CE-CZ 3.46Å; M294-R357 HydrophobicContact CG-CG 4.13Å; F325-R357 CarbonylContact C-O 3.53Å; F325-R357 WeakPolarHBondContact CA-O 3.24Å; K326-R357 HydrophobicContact CB-CB 4.45Å; K326-R357 PolarHBondContact N-O 2.74Å; K326-R357 PolarHBondContact O-N 2.89Å; L355-R357 HydrophobicContact CD2-CG 4.39Å
358A96.2Very high90.7Very high5 Ų559.8 Ų59.84%0.04133%0.325CS..EExtended strand (participates in β ladder)trans-117.8144.2171.600000109.8I293 K324 F325 M356 F360I293-A358 HydrophobicContact CB-CB 4.26Å; I293-A358 PolarHBondContact N-O 2.77Å; I293-A358 PolarHBondContact O-N 3.04Å; K324-A358 CarbonylContact O-C 3.54Å; K324-A358 WeakPolarHBondContact O-CA 3.39Å; F325-A358 HydrophobicContact CD1-CB 3.56Å; F325-A358 HydrophobicContact CE1-CB 3.58Å; M356-A358 HydrophobicContact SD-CB 3.76Å; A358-F360 HydrophobicContact CB-CD2 4.32Å; A358-F360 HydrophobicContact CB-CE2 3.73Å
359H95.8Very high89.6Confident56 Ų5667.3 Ų67.326%0.25936%0.36SS..EExtended strand (participates in β ladder)trans-129.6131.7173.4172.8-62.6000108.1R290 V291 K324R290-H359 WeakPolarHBondContact CD-NE2 3.29Å; V291-H359 WeakPolarHBondContact O-CA 3.35Å; K324-H359 HydrophobicContact CB-CB 4.29Å; K324-H359 PolarHBondContact N-O 3.09Å; K324-H359 PolarHBondContact O-N 3.2Å
360F94.9Very high88.4Confident0 Ų070.3 Ų70.30%039%0.389CS..EExtended strand (participates in β ladder)trans-125.3145.4177-70.9-90.9000110.1R290 V291 I293 V316 A320 D321 P323 F325 Y334 V341 A358R290-F360 CarbonylContact C-O 3.6Å; R290-F360 WeakPolarHBondContact CA-O 3.38Å; R290-F360 WeakPolarHBondContact CB-O 3.28Å; V291-F360 HydrophobicContact CB-CB 4.4Å; V291-F360 PolarHBondContact N-O 3.5Å; V291-F360 PolarHBondContact O-N 3.32Å; I293-F360 HydrophobicContact CD1-CD2 4.4Å; I293-F360 HydrophobicContact CD1-CE2 4.35Å; V316-F360 HydrophobicContact CG1-CD2 4.46Å; V316-F360 HydrophobicContact CG1-CE2 3.87Å; V316-F360 HydrophobicContact CG1-CZ 4.07Å; A320-F360 HydrophobicContact CB-CB 4.02Å; A320-F360 HydrophobicContact CB-CD1 3.73Å; A320-F360 HydrophobicContact CB-CE1 4.47Å; A320-F360 HydrophobicContact CB-CG 4.05Å; D321-F360 WeakPolarHBondContact O-CA 3.19Å; P323-F360 HydrophobicContact CB-CD1 4.11Å; P323-F360 HydrophobicContact CB-CE1 3.59Å; P323-F360 HydrophobicContact CB-CZ 4.09Å; F325-F360 HydrophobicContact CE1-CE2 4.14Å; F325-F360 AromaticContact CE1-CZ 3.9Å; F325-F360 HydrophobicContact CE1-CZ 3.9Å; F325-F360 AromaticContact CZ-CZ 3.86Å; F325-F360 HydrophobicContact CZ-CZ 3.86Å; Y334-F360 HydrophobicContact CD1-CE1 4.1Å; Y334-F360 AromaticContact CD2-CE1 3.87Å; Y334-F360 HydrophobicContact CD2-CE1 3.87Å; Y334-F360 HydrophobicContact CD2-CZ 4.14Å; Y334-F360 HydrophobicContact CE1-CE1 4.25Å; Y334-F360 HydrophobicContact CE2-CE1 4.11Å; Y334-F360 AromaticContact CG-CE1 3.9Å; Y334-F360 HydrophobicContact CG-CE1 3.9Å; Y334-F360 HydrophobicContact CG-CZ 4.36Å; V341-F360 HydrophobicContact CG2-CE2 3.68Å; V341-F360 HydrophobicContact CG2-CZ 3.34Å; A358-F360 HydrophobicContact CB-CD2 4.32Å; A358-F360 HydrophobicContact CB-CE2 3.73Å
361G92.5Very high87.5Confident11 Ų1174 Ų7411%0.11341%0.405CS..EExtended strand (participates in β ladder)trans-77.8149.7162.800000110A320 D321A320-G361 WeakPolarHBondContact CA-O 3.44Å; D321-G361 PolarHBondContact N-O 3.25Å; D321-G361 PolarHBondContact O-N 3.14Å; D321-G361 VanDerWaalsContact OD1-CA 3.3Å; D321-G361 WeakPolarHBondContact OD1-CA 3.39Å
362L89.5Confident86.7Confident15 Ų1574.8 Ų74.88%0.07941%0.413CS..  trans-116.8148166.5-73.1-178.5000109.5K285 S289 V291 P317 D319K285-L362 HydrophobicContact CD-CD1 4.4Å; K285-L362 HydrophobicContact CG-CD1 4Å; S289-L362 PolarHBondContact O-N 2.63Å; V291-L362 HydrophobicContact CG2-CD1 3.5Å; V291-L362 HydrophobicContact CG2-CD2 4.07Å; V291-L362 HydrophobicContact CG2-CG 3.79Å; P317-L362 HydrophobicContact CB-CD2 4.16Å; P317-L362 HydrophobicContact CG-CD2 4.3Å; D319-L362 WeakPolarHBondContact OD1-CD2 3.43Å
363P87.2Confident86.1Confident51 Ų5176.4 Ų76.433%0.33142%0.42SS..  trans-61.4154.3172.4-17.430.3000111.5H288 D319 V365H288-P363 WeakPolarHBondContact CA-O 3.39Å; D319-P363 HydrophobicContact CB-CG 3.84Å; D319-P363 WeakPolarHBondContact O-CD 3.42Å; D319-P363 WeakPolarHBondContact OD2-CD 3.46Å; P363-V365 PolarHBondContact O-N 3.21Å
364S83.5Confident85.8Confident94 Ų9475 Ų7566%0.65742%0.42SS*.SBendtrans-75.8-12.3175.3-51.50000113.3H288H288-S364 PolarHBondContact ND1-O 2.91Å
365V82.4Confident85.6Confident118 Ų11875 Ų7572%0.71542%0.423SS*.SBendtrans-104.9129.8176.8-176.10000108P363P363-V365 PolarHBondContact O-N 3.21Å
366E75.1Confident85.6Confident110 Ų11072.5 Ų72.551%0.51441%0.409SS..  trans-77.5146.1175.9-85.7174.5173.500110.9H288H288-E366 VanDerWaalsContact CE1-CD 3.45Å; H288-E366 WeakPolarHBondContact CE1-CG 3.38Å; H288-E366 IonicContact CE1-OE1 3.96Å; H288-E366 IonicContact NE2-OE1 3.87Å; H288-E366 PolarHBondContact NE2-OE1 2.93Å
367N71.1Confident85.5Confident98 Ų9874.4 Ų74.452%0.52442%0.421SS..  trans-81.8135.3169.5-160.74.4000108.9E369N367-E369 PolarHBondContact O-N 3.26Å
368D65.6Low85.5Confident169 Ų16968.1 Ų68.190%0.90440%0.398SS*.SBendtrans-72.6-16.9-176.4-75.4-35.4000112.6
369E74.6Confident85.6Confident157 Ų15772.7 Ų72.773%0.73442%0.417SS*.SBendtrans-93.3125.8-179.7-67.3-174.3173.500112.4N367 E371N367-E369 PolarHBondContact O-N 3.26Å; E369-E371 PolarHBondContact O-N 2.93Å
370A72Confident85.7Confident104 Ų10470.4 Ų70.486%0.8641%0.406SS*.  trans-70.8110.4173.300000110.4
371E78.1Confident85.8Confident82 Ų8274.2 Ų74.238%0.38342%0.424SS..  trans-64.8144173.8-73.2-179.5-167.600112.1P317 S318 E369P317-E371 WeakPolarHBondContact CA-OE2 3.43Å; S318-E371 WeakPolarHBondContact CB-OE1 3.23Å; S318-E371 PolarHBondContact N-OE1 2.56Å; S318-E371 VanDerWaalsContact N-OE1 3.12Å; S318-E371 PolarHBondContact N-OE2 2.92Å; S318-E371 VanDerWaalsContact N-OE2 3.15Å; S318-E371 PolarHBondContact OG-OE1 2.96Å; E369-E371 PolarHBondContact O-N 2.93Å
372G79.6Confident86Confident63 Ų6373.7 Ų73.765%0.64942%0.419SS*.  trans-59.4153.3169.700000111.5P374G372-P374 WeakPolarHBondContact O-CD 3.25Å
373K83.7Confident86.4Confident152 Ų15274.6 Ų74.666%0.66143%0.425SS*.  trans-103.977.3175.9-62.5-174.3-177.2-173.80110.4V424K373-V424 PolarHBondContact NZ-O 2.97Å
374P90.5Very high86.7Confident70 Ų7081.2 Ų81.246%0.45545%0.445SS..PPolyproline II helixtrans-63.1147.3176.525.6-33000110.8P315 G372P315-P374 HydrophobicContact CB-CB 4.45Å; P315-P374 HydrophobicContact CB-CG 3.55Å; P315-P374 HydrophobicContact CG-CB 4.01Å; P315-P374 HydrophobicContact CG-CG 3.65Å; P315-P374 WeakPolarHBondContact CG-O 3.41Å; G372-P374 WeakPolarHBondContact O-CD 3.25Å
375P94.1Very high87.2Confident31 Ų3177.9 Ų77.920%0.20142%0.419CS..PPolyproline II helixtrans-73.7158.6177.430.3-34000111.9T377 Q419 L420 R421P375-T377 PolarHBondContact O-N 3.05Å; P375-Q419 HydrophobicContact CB-CB 4.12Å; P375-Q419 HydrophobicContact CG-CB 4.01Å; P375-Q419 HydrophobicContact CG-CG 4.28Å; P375-L420 CarbonylContact C-O 3.59Å; P375-L420 WeakPolarHBondContact CB-O 3.27Å; P375-R421 HydrophobicContact CB-CG 4.2Å
376I95.8Very high87.6Confident1 Ų173.7 Ų73.71%0.00539%0.394CS..EExtended strand (participates in β ladder)trans-65133.4165-67.7174.1000108.3I279 S281 V312 R313 V314 V378 Q419 L420 T422I279-I376 HydrophobicContact CG2-CD1 4.18Å; I279-I376 HydrophobicContact CG2-CG2 4.31Å; S281-I376 WeakPolarHBondContact OG-CD1 3.41Å; V312-I376 HydrophobicContact CG1-CG2 3.92Å; R313-I376 WeakPolarHBondContact O-CA 3.39Å; R313-I376 WeakPolarHBondContact O-CG2 3.47Å; V314-I376 HydrophobicContact CG1-CD1 4.2Å; V314-I376 HydrophobicContact CG1-CG1 4.18Å; V314-I376 HydrophobicContact CG2-CD1 4.45Å; V314-I376 HydrophobicContact CG2-CG1 4.47Å; I376-V378 HydrophobicContact CG2-CG2 4.49Å; I376-Q419 CarbonylContact O-C 3.59Å; I376-Q419 WeakPolarHBondContact O-CA 3.36Å; I376-L420 HydrophobicContact CB-CB 4.43Å; I376-L420 PolarHBondContact N-O 3.13Å; I376-L420 PolarHBondContact O-N 3.4Å; I376-T422 HydrophobicContact CD1-CG2 3.37Å; I376-T422 HydrophobicContact CG1-CG2 3.57Å
377T96.9Very high88.4Confident41 Ų4169.8 Ų69.825%0.25238%0.377SS..EExtended strand (participates in β ladder)trans-115.6142.817559.10000110.8R313 P375 Y418 Q419R313-T377 WeakPolarHBondContact CB-OG1 3.49Å; R313-T377 PolarHBondContact N-O 2.99Å; R313-T377 PolarHBondContact O-N 3.32Å; P375-T377 PolarHBondContact O-N 3.05Å; T377-Y418 WeakPolarHBondContact CA-O 3.35Å; T377-Q419 HydrophobicContact CG2-CG 4.17Å
378V97.3Very high89.4Confident3 Ų366 Ų662%0.01836%0.358CS..EExtended strand (participates in β ladder)trans-123.2127.5179.6-169.60000109.5I277 I279 V310 E311 V312 I376 F380 S415 Y418 L420I277-V378 HydrophobicContact CB-CG1 4.45Å; I277-V378 HydrophobicContact CD1-CG1 4.46Å; I277-V378 HydrophobicContact CG2-CG1 4.23Å; I279-V378 HydrophobicContact CD1-CG2 4.09Å; I279-V378 HydrophobicContact CG1-CG2 3.58Å; V310-V378 HydrophobicContact CG1-CG1 4.08Å; E311-V378 CarbonylContact O-C 3.6Å; E311-V378 WeakPolarHBondContact O-CA 3.47Å; V312-V378 HydrophobicContact CG1-CG2 4.46Å; V312-V378 HydrophobicContact CG2-CG1 4.27Å; I376-V378 HydrophobicContact CG2-CG2 4.49Å; V378-F380 HydrophobicContact CG1-CD1 4.06Å; V378-S415 VanDerWaalsContact O-CB 3.22Å; V378-S415 WeakPolarHBondContact O-CB 3.23Å; V378-Y418 HydrophobicContact CB-CD1 3.61Å; V378-Y418 HydrophobicContact CB-CE1 4Å; V378-Y418 HydrophobicContact CB-CG 4.46Å; V378-Y418 HydrophobicContact CG2-CD1 3.85Å; V378-Y418 HydrophobicContact CG2-CE1 4Å; V378-Y418 PolarHBondContact N-O 3.3Å; V378-Y418 VanDerWaalsContact N-O 3.16Å; V378-L420 HydrophobicContact CG2-CD1 3.9Å
379K97.7Very high90.6Very high101 Ų10158 Ų5844%0.43932%0.316SS..EExtended strand (participates in β ladder)trans-104.5138166.9-60.9-165.8174.2-167.50110.5V310 E311 S415V310-K379 CarbonylContact C-O 3.55Å; V310-K379 VanDerWaalsContact CA-O 3.23Å; V310-K379 WeakPolarHBondContact CA-O 3.42Å; E311-K379 HydrophobicContact CB-CB 4.22Å; E311-K379 PolarHBondContact N-O 3.29Å; E311-K379 PolarHBondContact O-N 2.87Å; K379-S415 VanDerWaalsContact CA-OG 3.29Å; K379-S415 WeakPolarHBondContact CA-OG 3.45Å
380F97.2Very high91.4Very high8 Ų850.6 Ų50.64%0.03528%0.282CS..EExtended strand (participates in β ladder)trans-160.5161.7174.963.2-92.8000111.1I179 L276 I277 A307 V310 V378 I382 T413 Q414 S415 Y418I179-F380 HydrophobicContact CD1-CE2 4.47Å; I179-F380 HydrophobicContact CD1-CZ 4.12Å; L276-F380 HydrophobicContact CB-CZ 4.35Å; L276-F380 HydrophobicContact CD1-CE2 4.13Å; L276-F380 HydrophobicContact CD1-CZ 4.4Å; I277-F380 HydrophobicContact CD1-CB 3.64Å; I277-F380 HydrophobicContact CD1-CD1 3.75Å; I277-F380 HydrophobicContact CD1-CD2 4.38Å; I277-F380 HydrophobicContact CD1-CG 3.66Å; I277-F380 HydrophobicContact CG1-CD1 4.27Å; I277-F380 HydrophobicContact CG1-CG 4.43Å; A307-F380 HydrophobicContact CB-CB 4.41Å; V310-F380 HydrophobicContact CB-CB 4.48Å; V310-F380 HydrophobicContact CG1-CB 4.44Å; V310-F380 HydrophobicContact CG2-CB 3.91Å; V378-F380 HydrophobicContact CG1-CD1 4.06Å; F380-I382 HydrophobicContact CD2-CD1 4.16Å; F380-I382 HydrophobicContact CD2-CG1 4.03Å; F380-I382 HydrophobicContact CE2-CD1 4.13Å; F380-I382 HydrophobicContact CE2-CG1 4.39Å; F380-T413 HydrophobicContact CE2-CG2 4.47Å; F380-Q414 VanDerWaalsContact O-CA 3.28Å; F380-Q414 WeakPolarHBondContact O-CA 3.38Å; F380-S415 PolarHBondContact N-OG 3.41Å; F380-S415 PolarHBondContact O-N 2.97Å; F380-S415 VanDerWaalsContact O-N 3.13Å; F380-Y418 AromaticContact CE1-CD2 3.8Å; F380-Y418 HydrophobicContact CE1-CD2 3.8Å; F380-Y418 AromaticContact CE1-CE2 3.77Å; F380-Y418 HydrophobicContact CE1-CE2 3.77Å; F380-Y418 HydrophobicContact CE1-CG 4.18Å; F380-Y418 HydrophobicContact CZ-CD2 4.27Å; F380-Y418 HydrophobicContact CZ-CE2 4.11Å
381E97.4Very high92.5Very high80 Ų8050.5 Ų50.537%0.37426%0.263SS..EExtended strand (participates in β ladder)trans-136.2131171.1-171.4-171.2112.600110A307 N308 I412 T413A307-E381 CarbonylContact C-O 3.56Å; A307-E381 VanDerWaalsContact CA-O 3.31Å; A307-E381 WeakPolarHBondContact CA-O 3.27Å; N308-E381 PolarHBondContact N-O 2.81Å; N308-E381 PolarHBondContact O-N 3.11Å; E381-I412 HydrophobicContact CG-CG2 3.57Å; E381-T413 CarbonylContact C-O 3.59Å; E381-T413 WeakPolarHBondContact CA-O 3.21Å
382I97.4Very high93.2Very high0 Ų047.8 Ų47.80%025%0.252CS..EExtended strand (participates in β ladder)trans-119.7106.6176.5-55171.1000107.7L276 F301 A307 F380 F385 T413L276-I382 HydrophobicContact CB-CD1 4.5Å; L276-I382 HydrophobicContact CD1-CD1 3.65Å; F301-I382 HydrophobicContact CD1-CD1 4.05Å; F301-I382 HydrophobicContact CD2-CD1 4.29Å; F301-I382 HydrophobicContact CE1-CD1 4.17Å; F301-I382 HydrophobicContact CE2-CD1 4.36Å; F301-I382 HydrophobicContact CG-CD1 4.12Å; F301-I382 HydrophobicContact CZ-CD1 4.32Å; A307-I382 HydrophobicContact CB-CD1 4.24Å; A307-I382 HydrophobicContact CB-CG1 3.61Å; F380-I382 HydrophobicContact CD2-CD1 4.16Å; F380-I382 HydrophobicContact CD2-CG1 4.03Å; F380-I382 HydrophobicContact CE2-CD1 4.13Å; F380-I382 HydrophobicContact CE2-CG1 4.39Å; I382-F385 HydrophobicContact CB-CB 4.19Å; I382-F385 HydrophobicContact CG2-CB 3.5Å; I382-F385 VanDerWaalsContact CG2-CB 3.5Å; I382-F385 HydrophobicContact CG2-CD1 4.37Å; I382-F385 HydrophobicContact CG2-CG 3.92Å; I382-T413 PolarHBondContact N-O 2.89Å; I382-T413 PolarHBondContact O-N 3.1Å
383P96.7Very high93.8Very high34 Ų3450.6 Ų50.622%0.22124%0.243CC..EExtended strand (participates in β ladder)trans-75.2156.4176.932.7-36.3000111.3F385 Y411P383-F385 PolarHBondContact O-N 3.2Å; P383-Y411 CarbonylContact C-O 3.59Å
384Y94.3Very high94.3Very high190 Ų19047.6 Ų47.675%0.74523%0.229SC*.THydrogen-bonded Turntrans55.332179.9-46.1-73.1000113.7Y411Y384-Y411 VanDerWaalsContact CA-O 3.28Å; Y384-Y411 WeakPolarHBondContact CA-O 3.37Å; Y384-Y411 PolarHBondContact N-O 2.55Å
385F93.3Very high94.5Very high23 Ų2345.2 Ų45.210%0.10121%0.211CC..  trans-132.6141.4-176.9-168.1-97000110.9L276 F301 K302 I382 P383 V387 T413L276-F385 HydrophobicContact CD1-CD1 4.43Å; L276-F385 HydrophobicContact CD1-CE1 3.95Å; L276-F385 HydrophobicContact CD2-CE1 4.31Å; F301-F385 HydrophobicContact CB-CZ 4.32Å; K302-F385 HydrophobicContact CD-CE2 4.17Å; K302-F385 HydrophobicContact CG-CE2 4.17Å; I382-F385 HydrophobicContact CB-CB 4.19Å; I382-F385 HydrophobicContact CG2-CB 3.5Å; I382-F385 VanDerWaalsContact CG2-CB 3.5Å; I382-F385 HydrophobicContact CG2-CD1 4.37Å; I382-F385 HydrophobicContact CG2-CG 3.92Å; P383-F385 PolarHBondContact O-N 3.2Å; F385-V387 HydrophobicContact CD1-CG2 4.29Å; F385-V387 HydrophobicContact CE1-CG2 3.84Å; F385-T413 HydrophobicContact CD1-CG2 4.35Å; F385-T413 PolarHBondContact O-OG1 2.84Å
386T92.4Very high94.5Very high31 Ų3149.1 Ų49.119%0.1923%0.225CC..  trans-131137.8167.555.90000109.2E177 G389 I390 Y411E177-T386 WeakPolarHBondContact OE2-CA 3.24Å; T386-G389 WeakPolarHBondContact OG1-CA 3.49Å; T386-I390 HydrophobicContact CG2-CG2 3.98Å; T386-Y411 HydrophobicContact CG2-CD1 3.25Å; T386-Y411 HydrophobicContact CG2-CE1 4.12Å; T386-Y411 HydrophobicContact CG2-CG 3.75Å
387V91.4Very high94.4Very high27 Ų2751 Ų5116%0.16424%0.235CC..SBendtrans-83.4-46.5177.3-178.10000109.7E177 I179 I194 V273 L276 F385 G389 T413E177-V387 PolarHBondContact OE2-N 3.34Å; I179-V387 HydrophobicContact CD1-CG2 3.5Å; I179-V387 VanDerWaalsContact CD1-CG2 3.5Å; I179-V387 HydrophobicContact CG1-CG2 4.06Å; I194-V387 HydrophobicContact CD1-CB 3.92Å; I194-V387 HydrophobicContact CD1-CG1 3.63Å; I194-V387 HydrophobicContact CG1-CG1 4.44Å; V273-V387 HydrophobicContact CB-CG1 4.15Å; V273-V387 HydrophobicContact CG1-CG1 3.32Å; V273-V387 HydrophobicContact CG2-CG1 3.63Å; L276-V387 HydrophobicContact CD1-CG2 3.88Å; L276-V387 HydrophobicContact CD2-CG2 4.48Å; F385-V387 HydrophobicContact CD1-CG2 4.29Å; F385-V387 HydrophobicContact CE1-CG2 3.84Å; V387-G389 PolarHBondContact O-N 3.1Å; V387-T413 HydrophobicContact CG2-CG2 3.59Å
388S91.4Very high94.3Very high18 Ų1852.8 Ų52.813%0.12624%0.242CC..SBendtrans-65.1-27.917971.30000112.2E177 I390E177-S388 WeakPolarHBondContact OE1-CB 3.25Å; E177-S388 PolarHBondContact OE1-OG 3.41Å; E177-S388 PolarHBondContact OE2-N 3.13Å; S388-I390 WeakPolarHBondContact OG-CB 3.43Å; S388-I390 WeakPolarHBondContact OG-CG2 3.25Å; S388-I390 PolarHBondContact OG-N 2.91Å
389G90.6Very high94.1Very high3 Ų354.4 Ų54.43%0.03125%0.25CC..  trans7821-167.800000113.9N215 T386 V387N215-G389 PolarHBondContact ND2-O 2.98Å; T386-G389 WeakPolarHBondContact OG1-CA 3.49Å; V387-G389 PolarHBondContact O-N 3.1Å
390I92.7Very high93.7Very high1 Ų159.7 Ų59.71%0.00527%0.272CS..  trans-58.6140.8170-166.1169.7000110.1V175 L214 N215 V231 M233 Y267 T386 S388V175-I390 HydrophobicContact CG1-CG2 3.74Å; L214-I390 HydrophobicContact CD1-CD1 4.33Å; N215-I390 WeakPolarHBondContact OD1-CA 3.45Å; V231-I390 HydrophobicContact CG2-CB 4.14Å; M233-I390 HydrophobicContact CE-CD1 4.01Å; Y267-I390 HydrophobicContact CD1-CD1 4.35Å; Y267-I390 HydrophobicContact CD2-CD1 4.5Å; Y267-I390 HydrophobicContact CE1-CD1 3.74Å; Y267-I390 HydrophobicContact CE2-CD1 3.9Å; Y267-I390 VanDerWaalsContact CZ-CD1 3.48Å; T386-I390 HydrophobicContact CG2-CG2 3.98Å; S388-I390 WeakPolarHBondContact OG-CB 3.43Å; S388-I390 WeakPolarHBondContact OG-CG2 3.25Å; S388-I390 PolarHBondContact OG-N 2.91Å
391Q93.4Very high93.3Very high102 Ų10263.4 Ų63.448%0.47730%0.299SS..  trans-140.5127.5-177.7-68.6179.6-13.200109.9L214 N215 R393L214-Q391 WeakPolarHBondContact CA-O 3.37Å; N215-Q391 PolarHBondContact N-O 2.92Å; N215-Q391 PolarHBondContact OD1-N 2.79Å; N215-Q391 PolarHBondContact OD1-O 3.18Å; Q391-R393 PolarHBondContact O-N 2.82Å
392V94.1Very high92.7Very high25 Ų2562.5 Ų62.515%0.15231%0.312CS..EExtended strand (participates in β ladder)trans-74.2109165.5179.10000107.9I173 V175 L212 L214 V409 Y411I173-V392 HydrophobicContact CD1-CG1 4.16Å; I173-V392 HydrophobicContact CG2-CG2 4.29Å; V175-V392 HydrophobicContact CG2-CG2 3.85Å; L212-V392 HydrophobicContact CD1-CG1 3.66Å; L212-V392 HydrophobicContact CD1-CG2 4.32Å; L214-V392 HydrophobicContact CD2-CG2 4Å; V392-V409 HydrophobicContact CB-CG2 4.23Å; V392-V409 HydrophobicContact CG2-CG2 3.97Å; V392-Y411 PolarHBondContact N-OH 3.3Å
393R91.8Very high92.4Very high122 Ų12264.7 Ų64.746%0.4632%0.321SS..EExtended strand (participates in β ladder)trans-80.7-39.5-179.3-62.6-17068.2-171.85.8112.2G213 Q391G213-R393 PolarHBondContact O-N 2.97Å; Q391-R393 PolarHBondContact O-N 2.82Å
394Y93.1Very high92Very high89 Ų8972 Ų7235%0.34935%0.352SS..EExtended strand (participates in β ladder)trans-158.6155.2176.862-101.3000110.9G213 K396G213-Y394 PolarHBondContact N-O 3.08Å; G213-Y394 PolarHBondContact O-N 3Å; Y394-K396 HydrophobicContact CD2-CD 4.25Å; Y394-K396 HydrophobicContact CD2-CG 3.8Å; Y394-K396 HydrophobicContact CE2-CD 4.18Å; Y394-K396 HydrophobicContact CE2-CG 4.17Å
395M94.8Very high91.8Very high19 Ų1963.9 Ų63.99%0.09432%0.324CS..EExtended strand (participates in β ladder)trans-124.2111.5161.7179.663.178.800107I173 L200 L210 L212 F255 I397 P407I173-M395 HydrophobicContact CD1-CB 4.12Å; I173-M395 HydrophobicContact CD1-CE 3.52Å; I173-M395 HydrophobicContact CD1-CG 4.4Å; I173-M395 HydrophobicContact CG1-CE 4.12Å; L200-M395 HydrophobicContact CD2-CE 4.32Å; L210-M395 HydrophobicContact CB-SD 4.09Å; L210-M395 HydrophobicContact CD2-CE 4.49Å; L210-M395 HydrophobicContact CD2-SD 3.92Å; L210-M395 HydrophobicContact CG-SD 4.06Å; L212-M395 HydrophobicContact CB-CE 4.13Å; L212-M395 HydrophobicContact CB-SD 4.38Å; L212-M395 HydrophobicContact CD1-CE 3.79Å; L212-M395 HydrophobicContact CG-CE 4.46Å; F255-M395 HydrophobicContact CZ-CE 4.22Å; F255-M395 HydrophobicContact CZ-SD 4.4Å; M395-I397 HydrophobicContact CG-CG1 4.28Å; M395-P407 HydrophobicContact CB-CB 3.93Å; M395-P407 HydrophobicContact CB-CG 4.42Å; M395-P407 HydrophobicContact CG-CB 4.31Å
396K94.5Very high91.6Very high113 Ų11367.6 Ų67.649%0.49134%0.344SS..EExtended strand (participates in β ladder)trans-92.4133174-68.2178.8-179.6-177.60108.7L210 R211 Y394L210-K396 CarbonylContact C-O 3.56Å; L210-K396 VanDerWaalsContact CA-O 3.28Å; L210-K396 WeakPolarHBondContact CA-O 3.3Å; R211-K396 HydrophobicContact CB-CB 4.23Å; R211-K396 PolarHBondContact N-O 3.31Å; R211-K396 PolarHBondContact O-N 3.29Å; Y394-K396 HydrophobicContact CD2-CD 4.25Å; Y394-K396 HydrophobicContact CD2-CG 3.8Å; Y394-K396 HydrophobicContact CE2-CD 4.18Å; Y394-K396 HydrophobicContact CE2-CG 4.17Å
397I95.3Very high91.6Very high41 Ų4169.2 Ų69.221%0.2136%0.355CS..EExtended strand (participates in β ladder)trans-117.3118.9178.7-59168.9000106.6V171 L204 P208 L210 M395 Y403 A405V171-I397 HydrophobicContact CG2-CD1 3.86Å; L204-I397 HydrophobicContact CD1-CG2 4.39Å; P208-I397 HydrophobicContact CB-CG2 4.21Å; L210-I397 HydrophobicContact CD1-CG1 4.37Å; L210-I397 HydrophobicContact CD1-CG2 4.23Å; L210-I397 HydrophobicContact CG-CG1 4.22Å; M395-I397 HydrophobicContact CG-CG1 4.28Å; I397-Y403 HydrophobicContact CG2-CE2 4.31Å; I397-A405 HydrophobicContact CD1-CB 3.44Å; I397-A405 VanDerWaalsContact CD1-CB 3.44Å; I397-A405 HydrophobicContact CG2-CB 4.4Å
398I94.6Very high91.8Very high78 Ų7874.4 Ų74.440%0.437%0.372SS..EExtended strand (participates in β ladder)trans-118.7110.5-176.9-54.4170.2000107.6P208 E209P208-I398 CarbonylContact C-O 3.57Å; P208-I398 WeakPolarHBondContact CA-O 3.37Å; E209-I398 HydrophobicContact CB-CB 4.34Å; E209-I398 PolarHBondContact N-O 2.97Å; E209-I398 WeakPolarHBondContact O-CB 3.28Å; E209-I398 PolarHBondContact O-N 3.48Å
399E92.9Very high92.1Very high38 Ų3876.8 Ų76.818%0.17839%0.385CS..  trans-134.1143.5178178.753.7-116.800109.9M207 P208 S401 G402 Y403M207-E399 WeakPolarHBondContact CA-OE2 3.48Å; M207-E399 PolarHBondContact N-OE2 3.11Å; P208-E399 WeakPolarHBondContact CA-OE2 3.48Å; P208-E399 HydrophobicContact CB-CB 4.23Å; E399-S401 WeakPolarHBondContact CG-OG 3.25Å; E399-S401 PolarHBondContact O-N 3.26Å; E399-G402 PolarHBondContact O-N 2.97Å; E399-Y403 HydrophobicContact CB-CE1 3.98Å; E399-Y403 HydrophobicContact CG-CD1 4.1Å; E399-Y403 HydrophobicContact CG-CE1 3.51Å
400K89.2Confident92.3Very high211 Ų21182.4 Ų82.492%0.91741%0.406SS*.THydrogen-bonded Turntrans-60.8-33.8-175.4-67.1179-178.8173.60112.6G402K400-G402 PolarHBondContact O-N 3.07Å
401S87.6Confident92.6Very high86 Ų8684.5 Ų84.560%0.60141%0.414SS*.THydrogen-bonded Turntrans-73.2-12.7177.5620000113.9E399 Y403E399-S401 WeakPolarHBondContact CG-OG 3.25Å; E399-S401 PolarHBondContact O-N 3.26Å; S401-Y403 VanDerWaalsContact C-N 3.28Å; S401-Y403 PolarHBondContact O-N 2.89Å; S401-Y403 VanDerWaalsContact OG-CD1 3.22Å; S401-Y403 WeakPolarHBondContact OG-CD1 3.38Å
402G85.9Confident92.8Very high62 Ų6280.4 Ų80.464%0.63940%0.395SS*.  trans67.320.2174.400000115.3E399 K400E399-G402 PolarHBondContact O-N 2.97Å; K400-G402 PolarHBondContact O-N 3.07Å
403Y90.8Very high92.9Very high46 Ų4679.2 Ų79.218%0.1839%0.388CS..  trans-62.1152.3176.763.3-112.2000111.6N169 L204 S205 I397 E399 S401 A405N169-Y403 HydrophobicContact CB-CD2 3.69Å; N169-Y403 HydrophobicContact CB-CE2 3.58Å; N169-Y403 HydrophobicContact CB-CG 4.5Å; L204-Y403 HydrophobicContact CD2-CE2 4.12Å; S205-Y403 PolarHBondContact N-OH 2.89Å; S205-Y403 WeakPolarHBondContact O-CE1 3.26Å; S205-Y403 PolarHBondContact O-OH 2.81Å; I397-Y403 HydrophobicContact CG2-CE2 4.31Å; E399-Y403 HydrophobicContact CB-CE1 3.98Å; E399-Y403 HydrophobicContact CG-CD1 4.1Å; E399-Y403 HydrophobicContact CG-CE1 3.51Å; S401-Y403 VanDerWaalsContact C-N 3.28Å; S401-Y403 PolarHBondContact O-N 2.89Å; S401-Y403 VanDerWaalsContact OG-CD1 3.22Å; S401-Y403 WeakPolarHBondContact OG-CD1 3.38Å; Y403-A405 HydrophobicContact CD2-CB 4.09Å; Y403-A405 HydrophobicContact CE2-CB 3.87Å
404Q87.6Confident93.2Very high187 Ų18776.6 Ų76.687%0.87438%0.381SS*.  trans-83.5137167.9-67.1-173.3-5.400110
405A90.4Very high93.3Very high20 Ų2073.3 Ų73.317%0.16537%0.371CS..  trans-129.8146174.400000110.1N169 L204 I397 Y403 P407N169-A405 HydrophobicContact CB-CB 3.86Å; N169-A405 VanDerWaalsContact O-CA 3.25Å; N169-A405 WeakPolarHBondContact O-CA 3.38Å; N169-A405 WeakPolarHBondContact O-CB 3.45Å; L204-A405 HydrophobicContact CD2-CB 3.86Å; I397-A405 HydrophobicContact CD1-CB 3.44Å; I397-A405 VanDerWaalsContact CD1-CB 3.44Å; I397-A405 HydrophobicContact CG2-CB 4.4Å; Y403-A405 HydrophobicContact CD2-CB 4.09Å; Y403-A405 HydrophobicContact CE2-CB 3.87Å; A405-P407 WeakPolarHBondContact O-CD 3.41Å
406L88.9Confident93.3Very high101 Ų10173.8 Ų73.853%0.52938%0.381SS..EExtended strand (participates in β ladder)trans-103.2111.3-175.9-64.3174000110N169 V171N169-L406 PolarHBondContact O-N 2.77Å; V171-L406 PolarHBondContact N-O 2.73Å; V171-L406 VanDerWaalsContact N-O 3.14Å
407P93.1Very high93.3Very high64 Ų6473.6 Ų73.642%0.41639%0.385SS..EExtended strand (participates in β ladder)trans-82.7130172.132.1-31.9000110.6V171 M395 A405V171-P407 CarbonylContact O-C 3.54Å; V171-P407 WeakPolarHBondContact O-CA 3.2Å; M395-P407 HydrophobicContact CB-CB 3.93Å; M395-P407 HydrophobicContact CB-CG 4.42Å; M395-P407 HydrophobicContact CG-CB 4.31Å; A405-P407 WeakPolarHBondContact O-CD 3.41Å
408W95.8Very high93.3Very high137 Ų13771.8 Ų71.852%0.51938%0.376SS..EExtended strand (participates in β ladder)trans-111.7142.8173-60.992.9000109.1V171 F172 I173V171-W408 PolarHBondContact O-N 3.47Å; F172-W408 CarbonylContact C-O 3.56Å; F172-W408 HydrophobicContact CD1-CB 3.6Å; F172-W408 AromaticContact CD1-CD1 3.86Å; F172-W408 AromaticContact CD1-CG 3.86Å; F172-W408 HydrophobicContact CD1-CG 3.86Å; F172-W408 HydrophobicContact CE1-CB 3.99Å; F172-W408 AromaticContact CE1-CD1 3.47Å; F172-W408 VanDerWaalsContact CE1-CD1 3.47Å; F172-W408 HydrophobicContact CE1-CD2 4.46Å; F172-W408 AromaticContact CE1-CG 3.71Å; F172-W408 HydrophobicContact CE1-CG 3.71Å; F172-W408 HydrophobicContact CG-CB 4.35Å; F172-W408 AromaticContact CZ-CD1 3.81Å; F172-W408 HydrophobicContact CZ-CG 4.48Å; I173-W408 WeakPolarHBondContact CB-O 3.35Å; I173-W408 PolarHBondContact N-O 3.49Å
409V96.7Very high93.3Very high67 Ų6771.2 Ų71.241%0.40637%0.372SS..EExtended strand (participates in β ladder)trans-133.4136.2175.362.70000110.4I173 V175 V392 Y411I173-V409 HydrophobicContact CB-CB 4.27Å; I173-V409 HydrophobicContact CB-CG2 4.19Å; I173-V409 HydrophobicContact CG2-CG2 4.33Å; I173-V409 VanDerWaalsContact O-CA 3.29Å; I173-V409 WeakPolarHBondContact O-CA 3.44Å; V175-V409 HydrophobicContact CG2-CG2 4.22Å; V392-V409 HydrophobicContact CB-CG2 4.23Å; V392-V409 HydrophobicContact CG2-CG2 3.97Å; V409-Y411 HydrophobicContact CG1-CE2 4.19Å; V409-Y411 HydrophobicContact CG2-CD2 4.45Å; V409-Y411 HydrophobicContact CG2-CE1 4.31Å; V409-Y411 HydrophobicContact CG2-CE2 3.81Å
410R96.4Very high93.4Very high122 Ų12269.7 Ų69.746%0.4637%0.365SS..EExtended strand (participates in β ladder)trans-129.6153.7164.862.9175.8178.8172.34.3110.2I173 D174 V175I173-R410 PolarHBondContact O-N 2.84Å; D174-R410 WeakPolarHBondContact OD1-CD 3.44Å; D174-R410 WeakPolarHBondContact OD1-CG 3.24Å; D174-R410 IonicContact OD1-CZ 2.85Å; D174-R410 IonicContact OD1-NE 4Å; D174-R410 PolarHBondContact OD1-NE 2.99Å; D174-R410 IonicContact OD1-NH2 3.38Å; D174-R410 IonicContact OD2-CZ 3.2Å; D174-R410 IonicContact OD2-NE 3.61Å; D174-R410 PolarHBondContact OD2-NE 3.06Å; D174-R410 IonicContact OD2-NH2 3Å; D174-R410 PolarHBondContact OD2-NH2 3.48Å; V175-R410 PolarHBondContact N-O 3.36Å
411Y97.6Very high93.5Very high44 Ų4465.8 Ų65.817%0.17334%0.344CS..EExtended strand (participates in β ladder)trans-117.8132.6-179.3-60.8-87.2000108.3V175 P383 Y384 T386 V392 V409V175-Y411 HydrophobicContact CB-CD1 3.58Å; V175-Y411 HydrophobicContact CB-CE1 3.92Å; V175-Y411 HydrophobicContact CB-CG 4.48Å; V175-Y411 HydrophobicContact CG1-CD1 3.87Å; V175-Y411 HydrophobicContact CG1-CE1 4.16Å; V175-Y411 HydrophobicContact CG2-CD1 4.01Å; V175-Y411 HydrophobicContact CG2-CE1 3.83Å; V175-Y411 CarbonylContact O-C 3.55Å; V175-Y411 WeakPolarHBondContact O-CA 3.44Å; P383-Y411 CarbonylContact C-O 3.59Å; Y384-Y411 VanDerWaalsContact CA-O 3.28Å; Y384-Y411 WeakPolarHBondContact CA-O 3.37Å; Y384-Y411 PolarHBondContact N-O 2.55Å; T386-Y411 HydrophobicContact CG2-CD1 3.25Å; T386-Y411 HydrophobicContact CG2-CE1 4.12Å; T386-Y411 HydrophobicContact CG2-CG 3.75Å; V392-Y411 PolarHBondContact N-OH 3.3Å; V409-Y411 HydrophobicContact CG1-CE2 4.19Å; V409-Y411 HydrophobicContact CG2-CD2 4.45Å; V409-Y411 HydrophobicContact CG2-CE1 4.31Å; V409-Y411 HydrophobicContact CG2-CE2 3.81Å
412I97.2Very high93.2Very high16 Ų1662.8 Ų62.88%0.08232%0.322CS..EExtended strand (participates in β ladder)trans-133.2129.8-179.7-57.6173.7000106.9V175 I176 E177 E381V175-I412 PolarHBondContact O-N 3.35Å; I176-I412 CarbonylContact C-O 3.55Å; I176-I412 VanDerWaalsContact CA-O 3.31Å; I176-I412 WeakPolarHBondContact CA-O 3.21Å; I176-I412 HydrophobicContact CG1-CB 4.47Å; E177-I412 PolarHBondContact N-O 2.75Å; E381-I412 HydrophobicContact CG-CG2 3.57Å
413T96.9Very high92.4Very high0 Ų064.7 Ų64.70%032%0.318CS..EExtended strand (participates in β ladder)trans-111.8128.1170.1-64.40000108.6E177 I179 L276 F380 E381 I382 F385 V387E177-T413 CarbonylContact O-C 3.52Å; E177-T413 WeakPolarHBondContact O-CA 3.42Å; I179-T413 HydrophobicContact CD1-CG2 3.59Å; I179-T413 HydrophobicContact CG1-CG2 3.92Å; L276-T413 HydrophobicContact CD1-CG2 3.86Å; F380-T413 HydrophobicContact CE2-CG2 4.47Å; E381-T413 CarbonylContact C-O 3.59Å; E381-T413 WeakPolarHBondContact CA-O 3.21Å; I382-T413 PolarHBondContact N-O 2.89Å; I382-T413 PolarHBondContact O-N 3.1Å; F385-T413 HydrophobicContact CD1-CG2 4.35Å; F385-T413 PolarHBondContact O-OG1 2.84Å; V387-T413 HydrophobicContact CG2-CG2 3.59Å
414Q97.1Very high90.7Very high67 Ų6767.4 Ų67.431%0.31334%0.339SS..EExtended strand (participates in β ladder)trans-130.5165.4179.564.9-176.813.300111.2I176 E177 S178 I179 F380I176-Q414 HydrophobicContact CG2-CG 4.18Å; E177-Q414 PolarHBondContact O-N 2.89Å; S178-Q414 WeakPolarHBondContact CA-O 3.12Å; S178-Q414 PolarHBondContact OG-NE2 2.88Å; I179-Q414 PolarHBondContact N-O 2.96Å; F380-Q414 VanDerWaalsContact O-CA 3.28Å; F380-Q414 WeakPolarHBondContact O-CA 3.38Å
415S95.6Very high90.9Very high20 Ų2061.5 Ų61.514%0.1431%0.312CS..EExtended strand (participates in β ladder)trans-69.9129.7167.753.20000110.9V378 K379 F380V378-S415 VanDerWaalsContact O-CB 3.22Å; V378-S415 WeakPolarHBondContact O-CB 3.23Å; K379-S415 VanDerWaalsContact CA-OG 3.29Å; K379-S415 WeakPolarHBondContact CA-OG 3.45Å; F380-S415 PolarHBondContact N-OG 3.41Å; F380-S415 PolarHBondContact O-N 2.97Å; F380-S415 VanDerWaalsContact O-N 3.13Å
416G94.7Very high90.9Very high30 Ų3063.6 Ų63.631%0.30932%0.32SS..EExtended strand (participates in β ladder)trans-91.9-124.6157.600000109.7I179 N180 Y418I179-G416 PolarHBondContact O-N 3.25Å; N180-G416 WeakPolarHBondContact OD1-CA 3.42Å; G416-Y418 VanDerWaalsContact C-N 3.3Å; G416-Y418 PolarHBondContact O-N 3.21Å
417D94.2Very high91Very high108 Ų10861.6 Ų61.658%0.57831%0.308SS*.EExtended strand (participates in β ladder)trans-7581.3170-72.4-38.7000110.7N180 V181N180-D417 CarbonylContact C-O 3.54Å; N180-D417 WeakPolarHBondContact CA-O 3.41Å; N180-D417 HydrophobicContact CB-CB 4.41Å; N180-D417 PolarHBondContact OD1-N 3.3Å; V181-D417 PolarHBondContact N-O 3.37Å; V181-D417 VanDerWaalsContact O-O 3.1Å
418Y96Very high90.9Very high4 Ų461.4 Ų61.42%0.01630%0.302CS..EExtended strand (participates in β ladder)trans-10292-177.1-158.5-81.4000110.7I179 V181 P275 L276 I277 T377 V378 F380 G416 L420I179-Y418 HydrophobicContact CG2-CD2 4.39Å; I179-Y418 HydrophobicContact CG2-CE2 4.39Å; V181-Y418 HydrophobicContact CB-CD2 4.04Å; V181-Y418 HydrophobicContact CB-CE2 4.08Å; V181-Y418 HydrophobicContact CG2-CD2 4.38Å; V181-Y418 HydrophobicContact CG2-CE2 4.14Å; P275-Y418 VanDerWaalsContact C-OH 3.32Å; P275-Y418 WeakPolarHBondContact CA-OH 3.49Å; P275-Y418 HydrophobicContact CB-CE2 4.41Å; P275-Y418 WeakPolarHBondContact CB-OH 3.44Å; L276-Y418 PolarHBondContact N-OH 2.82Å; I277-Y418 VanDerWaalsContact C-OH 3.24Å; I277-Y418 PolarHBondContact N-OH 3.41Å; I277-Y418 WeakPolarHBondContact O-CE1 3.23Å; I277-Y418 PolarHBondContact O-OH 3.44Å; T377-Y418 WeakPolarHBondContact CA-O 3.35Å; V378-Y418 HydrophobicContact CB-CD1 3.61Å; V378-Y418 HydrophobicContact CB-CE1 4Å; V378-Y418 HydrophobicContact CB-CG 4.46Å; V378-Y418 HydrophobicContact CG2-CD1 3.85Å; V378-Y418 HydrophobicContact CG2-CE1 4Å; V378-Y418 PolarHBondContact N-O 3.3Å; V378-Y418 VanDerWaalsContact N-O 3.16Å; F380-Y418 AromaticContact CE1-CD2 3.8Å; F380-Y418 HydrophobicContact CE1-CD2 3.8Å; F380-Y418 AromaticContact CE1-CE2 3.77Å; F380-Y418 HydrophobicContact CE1-CE2 3.77Å; F380-Y418 HydrophobicContact CE1-CG 4.18Å; F380-Y418 HydrophobicContact CZ-CD2 4.27Å; F380-Y418 HydrophobicContact CZ-CE2 4.11Å; G416-Y418 VanDerWaalsContact C-N 3.3Å; G416-Y418 PolarHBondContact O-N 3.21Å; Y418-L420 HydrophobicContact CD1-CD1 3.9Å; Y418-L420 HydrophobicContact CE1-CD1 3.82Å
419Q95.3Very high90.6Very high66 Ų6656.7 Ų56.731%0.30829%0.289SS..EExtended strand (participates in β ladder)trans-122.4130.6-168.6-55.7-172.91.400111.9V181 L182 V183 P375 I376 T377V181-Q419 PolarHBondContact O-N 3.41Å; L182-Q419 WeakPolarHBondContact CA-O 3.29Å; L182-Q419 HydrophobicContact CD1-CB 4.04Å; V183-Q419 PolarHBondContact N-O 3.1Å; P375-Q419 HydrophobicContact CB-CB 4.12Å; P375-Q419 HydrophobicContact CG-CB 4.01Å; P375-Q419 HydrophobicContact CG-CG 4.28Å; I376-Q419 CarbonylContact O-C 3.59Å; I376-Q419 WeakPolarHBondContact O-CA 3.36Å; T377-Q419 HydrophobicContact CG2-CG 4.17Å
420L94.1Very high90.1Very high6 Ų656 Ų563%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-121112.4173.9-57.395.6000108.9V183 W278 I279 P375 I376 V378 Y418V183-L420 HydrophobicContact CB-CB 4.27Å; V183-L420 HydrophobicContact CB-CD2 4.16Å; V183-L420 HydrophobicContact CB-CG 4.08Å; V183-L420 HydrophobicContact CG2-CD2 3.85Å; V183-L420 HydrophobicContact CG2-CG 3.89Å; W278-L420 HydrophobicContact CE3-CD2 4.45Å; W278-L420 HydrophobicContact CZ3-CD2 4.47Å; I279-L420 HydrophobicContact CB-CD1 4.35Å; I279-L420 HydrophobicContact CB-CD2 4Å; I279-L420 HydrophobicContact CG1-CD1 4.12Å; I279-L420 HydrophobicContact CG1-CD2 4.47Å; P375-L420 CarbonylContact C-O 3.59Å; P375-L420 WeakPolarHBondContact CB-O 3.27Å; I376-L420 HydrophobicContact CB-CB 4.43Å; I376-L420 PolarHBondContact N-O 3.13Å; I376-L420 PolarHBondContact O-N 3.4Å; V378-L420 HydrophobicContact CG2-CD1 3.9Å; Y418-L420 HydrophobicContact CD1-CD1 3.9Å; Y418-L420 HydrophobicContact CE1-CD1 3.82Å
421R91.7Very high89.7Confident128 Ų12851.3 Ų51.348%0.48327%0.268SS..  trans-69.4140.1174.9-65.3-179.8177.1175.5-0.1109.1L182 V183 A185 P375L182-R421 HydrophobicContact CD1-CG 4.26Å; V183-R421 WeakPolarHBondContact O-CB 3.39Å; V183-R421 PolarHBondContact O-N 2.81Å; A185-R421 WeakPolarHBondContact CA-O 3.5Å; A185-R421 HydrophobicContact CB-CB 4.41Å; P375-R421 HydrophobicContact CB-CG 4.2Å
422T80.7Confident89.1Confident23 Ų2351.8 Ų51.814%0.14128%0.275CS..  trans-105.5148.7178.256.80000110S281 I283 I376S281-T422 VanDerWaalsContact OG-CG2 3.26Å; S281-T422 WeakPolarHBondContact OG-CG2 3.38Å; I283-T422 HydrophobicContact CD1-CG2 4.47Å; I376-T422 HydrophobicContact CD1-CG2 3.37Å; I376-T422 HydrophobicContact CG1-CG2 3.57Å
423N69.2Low88.4Confident102 Ų10254.8 Ų54.855%0.54529%0.291SS..  trans-87.8122.2162.9-83.7-32.9000106.3A185A185-N423 HydrophobicContact CB-CB 4.11Å; A185-N423 WeakPolarHBondContact CB-OD1 3.22Å; A185-N423 PolarHBondContact O-ND2 2.87Å
424V55.6Low87.6Confident104 Ų10459.8 Ų59.863%0.6332%0.318SS*.  trans-122.80162.7-1730000107I283 K373I283-V424 HydrophobicContact CB-CG2 4.1Å; I283-V424 HydrophobicContact CD1-CG2 3.69Å; I283-V424 HydrophobicContact CG1-CG2 4.46Å; I283-V424 HydrophobicContact CG2-CG1 4.26Å; I283-V424 HydrophobicContact CG2-CG2 4.11Å; K373-V424 PolarHBondContact NZ-O 2.97Å

Retrieved 424 of 424 residues in 123.3 ms (Link to these results)

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