A0A3Q0KGX2_SCHMA Loading...

Putative clathrin coat assembly protein ap-1 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KGX2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 423 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
1M60.6Low90.7Very high123 Ų12319.8 Ų19.861%0.60610%0.101SC*.  044.80-151.1-165.3-58.700111N74 N76 M79M1-N74 PolarHBondContact N-O 2.84Å; M1-N76 HydrophobicContact CG-CB 4.23Å; M1-M79 HydrophobicContact CG-CE 3.94Å; M1-M79 HydrophobicContact CG-SD 4.26Å; M1-M79 HydrophobicContact SD-SD 4.22Å
2V83.1Confident90.4Very high4 Ų433.5 Ų33.52%0.02416%0.159CC..  trans-146.3132.3-163-147.60000111.2T71 F120 G121 Y122V2-T71 WeakPolarHBondContact O-CB 3.27Å; V2-T71 PolarHBondContact O-OG1 3.21Å; V2-F120 WeakPolarHBondContact CG1-O 3.36Å; V2-G121 WeakPolarHBondContact CG1-O 3.5Å; V2-Y122 HydrophobicContact CG1-CD2 4.13Å; V2-Y122 HydrophobicContact CG1-CE1 4.22Å; V2-Y122 HydrophobicContact CG1-CE2 3.78Å; V2-Y122 HydrophobicContact CG1-CG 4.5Å; V2-Y122 HydrophobicContact CG2-CE1 4.01Å; V2-Y122 HydrophobicContact CG2-CE2 4.48Å; V2-Y122 WeakPolarHBondContact CG2-OH 3.47Å
3V93.8Very high90.4Very high2 Ų232.5 Ų32.51%0.01216%0.164CC..  trans-81.4129.6171175.90000108.4A5 R22 C69 V80 M118 G121V3-A5 WeakPolarHBondContact CG1-O 3.1Å; V3-R22 WeakPolarHBondContact O-CD 3.34Å; V3-C69 HydrophobicContact CG1-CB 3.88Å; V3-C69 HydrophobicContact CG2-CB 4.2Å; V3-V80 HydrophobicContact CG2-CG1 4.18Å; V3-V80 HydrophobicContact CG2-CG2 3.85Å; V3-M118 HydrophobicContact CB-CE 4.14Å; V3-M118 HydrophobicContact CB-SD 3.93Å; V3-M118 HydrophobicContact CG1-CE 4.48Å; V3-M118 HydrophobicContact CG1-SD 4.12Å; V3-M118 HydrophobicContact CG2-CE 4.06Å; V3-G121 PolarHBondContact N-O 3.01Å; V3-G121 WeakPolarHBondContact O-CA 3.35Å
4S95.3Very high90.6Very high0 Ų039.6 Ų39.60%019%0.193CC..  trans-79.2-48.7175.4-71.80000111.4N20 Y21 R22 D24 L70S4-N20 PolarHBondContact O-OD1 3.33Å; S4-Y21 PolarHBondContact O-N 2.85Å; S4-R22 PolarHBondContact O-N 3.39Å; S4-D24 WeakPolarHBondContact CB-OD1 3.22Å; S4-D24 PolarHBondContact OG-OD1 3.45Å; S4-D24 PolarHBondContact OG-OD2 3.29Å; S4-L70 WeakPolarHBondContact CB-O 3.37Å; S4-L70 PolarHBondContact N-O 3.4Å
5A96.4Very high90.9Very high0 Ų040.5 Ų40.50%020%0.202CC..EExtended strand (participates in β ladder)trans-151.1154.4-179.100000110.5V3 Y7 R19 N20 C69 L70V3-A5 WeakPolarHBondContact CG1-O 3.1Å; A5-Y7 HydrophobicContact CB-CD2 4.37Å; A5-Y7 HydrophobicContact CB-CE2 3.62Å; A5-R19 CarbonylContact C-O 3.5Å; A5-R19 VanDerWaalsContact CA-O 3.23Å; A5-R19 WeakPolarHBondContact CA-O 3.48Å; A5-N20 HydrophobicContact CB-CB 4.34Å; A5-C69 WeakPolarHBondContact O-CA 3.3Å; A5-L70 PolarHBondContact O-N 3.34Å
6L97Very high91.1Very high0 Ų040 Ų400%020%0.2CC..EExtended strand (participates in β ladder)trans-120.1136.1174.3-176.8148.8000109.3I8 H18 R19 Y21 V68 F83 L84 L87 L114L6-I8 HydrophobicContact CD2-CG1 4.04Å; L6-H18 CarbonylContact O-C 3.58Å; L6-H18 WeakPolarHBondContact O-CA 3.49Å; L6-R19 PolarHBondContact N-O 2.96Å; L6-R19 PolarHBondContact O-N 2.91Å; L6-Y21 HydrophobicContact CB-CE2 3.88Å; L6-V68 CarbonylContact C-O 3.55Å; L6-V68 WeakPolarHBondContact CA-O 3.48Å; L6-F83 HydrophobicContact CD1-CE1 3.72Å; L6-F83 HydrophobicContact CD1-CZ 4.38Å; L6-L84 HydrophobicContact CD1-CD2 4.37Å; L6-L87 HydrophobicContact CD1-CD2 3.54Å; L6-L87 HydrophobicContact CD2-CD2 4.37Å; L6-L114 HydrophobicContact CD1-CD2 4.22Å; L6-L114 HydrophobicContact CD2-CD1 4.19Å; L6-L114 HydrophobicContact CD2-CD2 3.86Å
7Y97.6Very high91.4Very high3 Ų337.7 Ų37.71%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-126.7144176.6-66.9-102.1000109.5A5 V15 H18 T27 I30 L67 V68 L70A5-Y7 HydrophobicContact CB-CD2 4.37Å; A5-Y7 HydrophobicContact CB-CE2 3.62Å; Y7-V15 HydrophobicContact CD1-CG1 3.96Å; Y7-V15 HydrophobicContact CD1-CG2 4.08Å; Y7-H18 HydrophobicContact CD1-CB 3.28Å; Y7-H18 HydrophobicContact CE1-CB 3.39Å; Y7-H18 AromaticContact CE1-CD2 3.92Å; Y7-H18 AromaticContact CE1-CG 3.74Å; Y7-H18 HydrophobicContact CG-CB 3.88Å; Y7-T27 WeakPolarHBondContact OH-CA 3.49Å; Y7-I30 HydrophobicContact CD1-CB 4.04Å; Y7-I30 HydrophobicContact CD1-CD1 4.18Å; Y7-I30 HydrophobicContact CD1-CG1 3.74Å; Y7-I30 HydrophobicContact CD1-CG2 4.19Å; Y7-I30 HydrophobicContact CD2-CD1 3.93Å; Y7-I30 HydrophobicContact CD2-CG1 4.33Å; Y7-I30 HydrophobicContact CE1-CB 3.94Å; Y7-I30 HydrophobicContact CE1-CG1 4.18Å; Y7-I30 HydrophobicContact CE1-CG2 3.92Å; Y7-I30 HydrophobicContact CE2-CB 4.5Å; Y7-I30 HydrophobicContact CG-CB 4.4Å; Y7-I30 HydrophobicContact CG-CD1 3.74Å; Y7-I30 HydrophobicContact CG-CG1 3.84Å; Y7-L67 WeakPolarHBondContact O-CA 3.39Å; Y7-V68 PolarHBondContact N-O 3.01Å; Y7-V68 PolarHBondContact O-N 3.04Å; Y7-L70 HydrophobicContact CD2-CD1 3.4Å; Y7-L70 VanDerWaalsContact CD2-CD1 3.4Å; Y7-L70 HydrophobicContact CE2-CD1 3.64Å; Y7-L70 HydrophobicContact CE2-CD2 4.19Å
8I97.2Very high91.6Very high0 Ų039.2 Ų39.20%019%0.194CC..EExtended strand (participates in β ladder)trans-116.8122163.1-47.6-179000107.4L6 L16 I17 L65 Y66 L67 F91 F98 I103L6-I8 HydrophobicContact CD2-CG1 4.04Å; I8-L16 WeakPolarHBondContact O-CB 3.2Å; I8-L16 PolarHBondContact O-N 3.19Å; I8-I17 HydrophobicContact CB-CG2 3.68Å; I8-I17 HydrophobicContact CD1-CG2 3.55Å; I8-I17 HydrophobicContact CG1-CG2 3.62Å; I8-I17 PolarHBondContact N-O 3.46Å; I8-I17 PolarHBondContact O-N 3.29Å; I8-L65 HydrophobicContact CG2-CB 4.48Å; I8-Y66 CarbonylContact C-O 3.49Å; I8-Y66 VanDerWaalsContact CA-O 3.3Å; I8-Y66 WeakPolarHBondContact CA-O 3.25Å; I8-L67 HydrophobicContact CG1-CG 4.33Å; I8-L67 HydrophobicContact CG2-CG 4.43Å; I8-F91 HydrophobicContact CD1-CE2 3.66Å; I8-F91 HydrophobicContact CD1-CZ 4.03Å; I8-F98 HydrophobicContact CD1-CZ 4.47Å; I8-I103 HydrophobicContact CB-CD1 4.46Å; I8-I103 HydrophobicContact CD1-CD1 4.24Å; I8-I103 HydrophobicContact CG2-CD1 3.66Å
9L95.9Very high91.8Very high1 Ų141.7 Ų41.71%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-114.2151.4-178.1-40.1176.6000110.5K14 V15 I30 F33 L65 Y66 V68L9-K14 CarbonylContact C-O 3.58Å; L9-K14 VanDerWaalsContact CA-O 3.23Å; L9-K14 WeakPolarHBondContact CA-O 3.36Å; L9-V15 HydrophobicContact CD2-CB 4.09Å; L9-V15 HydrophobicContact CD2-CG1 4.46Å; L9-V15 HydrophobicContact CD2-CG2 3.61Å; L9-I30 HydrophobicContact CD1-CD1 4.13Å; L9-I30 HydrophobicContact CD1-CG1 4.15Å; L9-I30 HydrophobicContact CD2-CD1 4.44Å; L9-I30 HydrophobicContact CD2-CG1 3.97Å; L9-F33 HydrophobicContact CD1-CD1 3.74Å; L9-F33 HydrophobicContact CD1-CE1 4.06Å; L9-L65 WeakPolarHBondContact O-CA 3.49Å; L9-Y66 PolarHBondContact N-O 3.08Å; L9-Y66 PolarHBondContact O-N 3.25Å; L9-V68 HydrophobicContact CD1-CG2 4.13Å; L9-V68 HydrophobicContact CG-CG2 4.42Å
10D92.3Very high92Very high12 Ų1242.2 Ų42.26%0.06421%0.205CC..  trans-75177.9165746000111.7K12 G13 K14 L16 Y64D10-K12 PolarHBondContact O-N 2.84Å; D10-K12 VanDerWaalsContact O-N 3.08Å; D10-K12 VanDerWaalsContact OD1-C 3.3Å; D10-K12 VanDerWaalsContact OD1-CA 3.28Å; D10-K12 WeakPolarHBondContact OD1-CA 3.24Å; D10-K12 WeakPolarHBondContact OD1-CB 3.23Å; D10-K12 PolarHBondContact OD1-N 3.49Å; D10-G13 PolarHBondContact O-N 2.86Å; D10-G13 PolarHBondContact OD1-N 3.17Å; D10-K14 PolarHBondContact N-O 3.3Å; D10-K14 WeakPolarHBondContact OD1-CB 3.39Å; D10-K14 PolarHBondContact OD1-N 2.74Å; D10-K14 WeakPolarHBondContact OD2-CB 3.41Å; D10-L16 HydrophobicContact CB-CD1 4.37Å; D10-L16 HydrophobicContact CB-CD2 4.29Å; D10-L16 HydrophobicContact CB-CG 4.37Å; D10-Y64 CarbonylContact C-O 3.56Å
11N88Confident92.1Very high73 Ų7341.4 Ų41.439%0.3920%0.2SC..THydrogen-bonded Turntrans-67.6-5.9178.7-166.653.1000114M34 Y64N11-M34 VanDerWaalsContact O-CE 3.25Å; N11-M34 WeakPolarHBondContact O-CE 3.26Å; N11-Y64 PolarHBondContact N-O 2.94Å
12K88Confident93.6Very high184 Ų18438 Ų3880%0.818%0.181SC*.THydrogen-bonded Turntrans-102.11.5175-61.2178-179.3174.20111.9D10 K14D10-K12 PolarHBondContact O-N 2.84Å; D10-K12 VanDerWaalsContact O-N 3.08Å; D10-K12 VanDerWaalsContact OD1-C 3.3Å; D10-K12 VanDerWaalsContact OD1-CA 3.28Å; D10-K12 WeakPolarHBondContact OD1-CA 3.24Å; D10-K12 WeakPolarHBondContact OD1-CB 3.23Å; D10-K12 PolarHBondContact OD1-N 3.49Å; K12-K14 VanDerWaalsContact C-N 3.31Å
13G90Very high94Very high21 Ų2140.8 Ų40.822%0.21621%0.209CC..  trans79.19.4-176.600000114.2D10D10-G13 PolarHBondContact O-N 2.86Å; D10-G13 PolarHBondContact OD1-N 3.17Å
14K93.6Very high93.9Very high132 Ų13242.6 Ų42.657%0.57422%0.219SC*.  trans-73.4131.3175.1-174.8-172.4172.4-170.10109.2L9 D10 K12 L16L9-K14 CarbonylContact C-O 3.58Å; L9-K14 VanDerWaalsContact CA-O 3.23Å; L9-K14 WeakPolarHBondContact CA-O 3.36Å; D10-K14 PolarHBondContact N-O 3.3Å; D10-K14 WeakPolarHBondContact OD1-CB 3.39Å; D10-K14 PolarHBondContact OD1-N 2.74Å; D10-K14 WeakPolarHBondContact OD2-CB 3.41Å; K12-K14 VanDerWaalsContact C-N 3.31Å; K14-L16 PolarHBondContact O-N 3.45Å
15V95.3Very high93.7Very high53 Ų5342.8 Ų42.832%0.32122%0.22SC..EExtended strand (participates in β ladder)trans-68.9116.7176.2-176.10000109.9Y7 L9 H18 I30Y7-V15 HydrophobicContact CD1-CG1 3.96Å; Y7-V15 HydrophobicContact CD1-CG2 4.08Å; L9-V15 HydrophobicContact CD2-CB 4.09Å; L9-V15 HydrophobicContact CD2-CG1 4.46Å; L9-V15 HydrophobicContact CD2-CG2 3.61Å; V15-H18 HydrophobicContact CG1-CB 3.97Å; V15-I30 HydrophobicContact CG2-CG2 3.99Å
16L94.2Very high93.5Very high32 Ų3249.4 Ų49.417%0.16825%0.251CS..EExtended strand (participates in β ladder)trans-84.3-47.7172.4-60.4178.6000110.6I8 D10 K14 L65 E100 I103I8-L16 WeakPolarHBondContact O-CB 3.2Å; I8-L16 PolarHBondContact O-N 3.19Å; D10-L16 HydrophobicContact CB-CD1 4.37Å; D10-L16 HydrophobicContact CB-CD2 4.29Å; D10-L16 HydrophobicContact CB-CG 4.37Å; K14-L16 PolarHBondContact O-N 3.45Å; L16-L65 HydrophobicContact CD1-CD2 3.5Å; L16-E100 HydrophobicContact CD1-CB 4.17Å; L16-E100 HydrophobicContact CD1-CG 3.8Å; L16-E100 HydrophobicContact CD2-CG 3.78Å; L16-E100 HydrophobicContact CG-CG 4.46Å; L16-I103 HydrophobicContact CD1-CD1 4.08Å
17I95.4Very high93.2Very high1 Ų153.2 Ų53.21%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-147.1149.6175.7-170.6158.3000109.4I8 I103 F107 T110 Y111 L114I8-I17 HydrophobicContact CB-CG2 3.68Å; I8-I17 HydrophobicContact CD1-CG2 3.55Å; I8-I17 HydrophobicContact CG1-CG2 3.62Å; I8-I17 PolarHBondContact N-O 3.46Å; I8-I17 PolarHBondContact O-N 3.29Å; I17-I103 HydrophobicContact CG2-CG2 4.24Å; I17-F107 HydrophobicContact CD1-CD2 4.45Å; I17-F107 HydrophobicContact CD1-CE2 4.37Å; I17-T110 HydrophobicContact CD1-CG2 3.68Å; I17-T110 HydrophobicContact CG2-CG2 4.3Å; I17-Y111 HydrophobicContact CD1-CD1 4.01Å; I17-Y111 HydrophobicContact CD1-CD2 3.45Å; I17-Y111 VanDerWaalsContact CD1-CD2 3.45Å; I17-Y111 HydrophobicContact CD1-CE1 3.92Å; I17-Y111 HydrophobicContact CD1-CE2 3.34Å; I17-Y111 HydrophobicContact CD1-CG 3.79Å; I17-Y111 HydrophobicContact CG1-CD1 4.38Å; I17-Y111 HydrophobicContact CG1-CD2 4.27Å; I17-Y111 HydrophobicContact CG1-CE1 3.82Å; I17-Y111 HydrophobicContact CG1-CE2 3.69Å; I17-Y111 VanDerWaalsContact CG1-CZ 3.44Å; I17-L114 HydrophobicContact CD1-CD1 4.31Å; I17-L114 HydrophobicContact CG1-CD1 4.36Å
18H95.5Very high93Very high64 Ų6455.3 Ų55.330%0.29629%0.289SS..EExtended strand (participates in β ladder)trans-146.4149.8170.476.1-72.3000111L6 Y7 V15 Y111L6-H18 CarbonylContact O-C 3.58Å; L6-H18 WeakPolarHBondContact O-CA 3.49Å; Y7-H18 HydrophobicContact CD1-CB 3.28Å; Y7-H18 HydrophobicContact CE1-CB 3.39Å; Y7-H18 AromaticContact CE1-CD2 3.92Å; Y7-H18 AromaticContact CE1-CG 3.74Å; Y7-H18 HydrophobicContact CG-CB 3.88Å; V15-H18 HydrophobicContact CG1-CB 3.97Å; H18-Y111 WeakPolarHBondContact O-CE1 3.46Å; H18-Y111 PolarHBondContact O-OH 2.81Å
19R95.5Very high92.8Very high87 Ų8755.6 Ų55.633%0.32829%0.292SS..EExtended strand (participates in β ladder)trans-131.4118.6174.4-164.464.2174177.6-1.3109.6A5 L6 Y21 L114 D115A5-R19 CarbonylContact C-O 3.5Å; A5-R19 VanDerWaalsContact CA-O 3.23Å; A5-R19 WeakPolarHBondContact CA-O 3.48Å; L6-R19 PolarHBondContact N-O 2.96Å; L6-R19 PolarHBondContact O-N 2.91Å; R19-Y21 HydrophobicContact CB-CE1 4.29Å; R19-Y21 HydrophobicContact CB-CE2 4.02Å; R19-Y21 HydrophobicContact CG-CD1 4.06Å; R19-Y21 HydrophobicContact CG-CE1 3.52Å; R19-Y21 HydrophobicContact CG-CE2 4.11Å; R19-L114 HydrophobicContact CB-CD1 4.07Å; R19-D115 IonicContact CZ-OD1 3Å; R19-D115 IonicContact CZ-OD2 2.72Å; R19-D115 VanDerWaalsContact CZ-OD2 3.27Å; R19-D115 IonicContact NE-OD1 2.63Å; R19-D115 PolarHBondContact NE-OD1 3.41Å; R19-D115 IonicContact NE-OD2 3.95Å; R19-D115 IonicContact NH1-OD2 3.1Å; R19-D115 IonicContact NH2-OD1 2.62Å; R19-D115 PolarHBondContact NH2-OD1 3.32Å; R19-D115 IonicContact NH2-OD2 3.88Å; R19-D115 PolarHBondContact NH2-OD2 3.49Å
20N94.9Very high92.8Very high52 Ų5256.1 Ų56.128%0.27830%0.295SS..EExtended strand (participates in β ladder)trans-98104.7176.4-168.1-17.5000109.2S4 A5 R22 G23 V25S4-N20 PolarHBondContact O-OD1 3.33Å; A5-N20 HydrophobicContact CB-CB 4.34Å; N20-R22 PolarHBondContact OD1-N 3.3Å; N20-G23 WeakPolarHBondContact OD1-CA 3.43Å; N20-G23 PolarHBondContact OD1-N 3.33Å; N20-V25 PolarHBondContact ND2-O 2.79Å
21Y94.9Very high92.8Very high25 Ų2562.6 Ų62.610%0.09832%0.324CS..SBendtrans-83.8-18.2-173.7-61.4-78.2000113.3S4 L6 R19 L114 M118 F120S4-Y21 PolarHBondContact O-N 2.85Å; L6-Y21 HydrophobicContact CB-CE2 3.88Å; R19-Y21 HydrophobicContact CB-CE1 4.29Å; R19-Y21 HydrophobicContact CB-CE2 4.02Å; R19-Y21 HydrophobicContact CG-CD1 4.06Å; R19-Y21 HydrophobicContact CG-CE1 3.52Å; R19-Y21 HydrophobicContact CG-CE2 4.11Å; Y21-L114 PolarHBondContact OH-O 2.96Å; Y21-L114 VanDerWaalsContact OH-O 3.13Å; Y21-M118 HydrophobicContact CD1-CB 4.42Å; Y21-M118 HydrophobicContact CD1-CG 4.06Å; Y21-M118 HydrophobicContact CD1-SD 4.37Å; Y21-M118 HydrophobicContact CD2-CG 4.25Å; Y21-M118 HydrophobicContact CD2-SD 3.48Å; Y21-M118 WeakPolarHBondContact CD2-SD 3.35Å; Y21-M118 HydrophobicContact CE1-CB 3.79Å; Y21-M118 HydrophobicContact CE1-CG 3.88Å; Y21-M118 WeakPolarHBondContact CE1-O 3.2Å; Y21-M118 HydrophobicContact CE1-SD 4.21Å; Y21-M118 HydrophobicContact CE2-CB 4.43Å; Y21-M118 HydrophobicContact CE2-CG 4.08Å; Y21-M118 HydrophobicContact CE2-SD 3.28Å; Y21-M118 WeakPolarHBondContact CE2-SD 3.39Å; Y21-M118 HydrophobicContact CG-CG 4.23Å; Y21-M118 HydrophobicContact CG-SD 4.03Å; Y21-F120 WeakPolarHBondContact O-CD2 3.25Å
22R91.7Very high93Very high53 Ų5365.7 Ų65.720%0.233%0.334CS..SBendtrans-125.5-24.3-170.6-62.7-171.765.371.213.4114.6V3 S4 N20 D24 F120V3-R22 WeakPolarHBondContact O-CD 3.34Å; S4-R22 PolarHBondContact O-N 3.39Å; N20-R22 PolarHBondContact OD1-N 3.3Å; R22-D24 HydrophobicContact CB-CB 4.43Å; R22-D24 WeakPolarHBondContact CB-OD1 3.37Å; R22-D24 IonicContact NE-OD2 3.77Å; R22-D24 PolarHBondContact NE-OD2 2.87Å; R22-D24 PolarHBondContact O-N 3.27Å; R22-F120 HydrophobicContact CG-CE2 4.46Å; R22-F120 VanDerWaalsContact NH1-CD1 3.3Å; R22-F120 PolarHBondContact NH1-O 3.25Å
23G90.7Very high93.2Very high61 Ų6156.9 Ų56.963%0.62930%0.296SS*.SBendtrans67.711.5-173.300000114.3N20N20-G23 WeakPolarHBondContact OD1-CA 3.43Å; N20-G23 PolarHBondContact OD1-N 3.33Å
24D92.2Very high93.3Very high40 Ų4056.7 Ų56.721%0.21429%0.29CS..  trans-93.6-2.6-17761.10.6000113.9S4 R22 R72S4-D24 WeakPolarHBondContact CB-OD1 3.22Å; S4-D24 PolarHBondContact OG-OD1 3.45Å; S4-D24 PolarHBondContact OG-OD2 3.29Å; R22-D24 HydrophobicContact CB-CB 4.43Å; R22-D24 WeakPolarHBondContact CB-OD1 3.37Å; R22-D24 IonicContact NE-OD2 3.77Å; R22-D24 PolarHBondContact NE-OD2 2.87Å; R22-D24 PolarHBondContact O-N 3.27Å; D24-R72 PolarHBondContact O-NE 2.92Å; D24-R72 PolarHBondContact O-NH1 2.81Å; D24-R72 PolarHBondContact O-NH2 2.79Å
25V92Very high93.2Very high4 Ų454.3 Ų54.32%0.02429%0.288CS..SBendtrans-126.7131.2173.9177.40000109N20 A29 I55 L70 R72N20-V25 PolarHBondContact ND2-O 2.79Å; V25-A29 HydrophobicContact CG1-CB 3.75Å; V25-I55 HydrophobicContact CG1-CD1 3.8Å; V25-L70 HydrophobicContact CG1-CD2 3.86Å; V25-R72 HydrophobicContact CG2-CB 4.31Å
26E91.9Very high92.9Very high140 Ų14053.5 Ų53.565%0.65428%0.283SS*.  trans-67.9144.3175.3-67.6-177.8-176.100111S28 A29E26-S28 PolarHBondContact O-N 2.78Å; E26-S28 PolarHBondContact OE2-OG 2.66Å; E26-A29 WeakPolarHBondContact O-CB 3.28Å; E26-A29 PolarHBondContact O-N 2.72Å; E26-A29 VanDerWaalsContact O-N 3.08Å
27T91.2Very high92.7Very high79 Ų7952 Ų5249%0.48528%0.275SS..G310 helixtrans-63.9-30.2-17947.80000113.1Y7 A29 I30Y7-T27 WeakPolarHBondContact OH-CA 3.49Å; T27-A29 PolarHBondContact O-N 2.94Å; T27-I30 WeakPolarHBondContact O-CG2 3.42Å; T27-I30 PolarHBondContact O-N 2.92Å
28S92.5Very high92.3Very high47 Ų4755.9 Ų55.933%0.32929%0.294SS..G310 helixtrans-61.8-18.6174.859.30000113.5E26 I30 E31E26-S28 PolarHBondContact O-N 2.78Å; E26-S28 PolarHBondContact OE2-OG 2.66Å; S28-I30 PolarHBondContact O-N 3.48Å; S28-E31 WeakPolarHBondContact O-CB 3.29Å; S28-E31 PolarHBondContact O-N 3.17Å; S28-E31 VanDerWaalsContact O-N 3.13Å
29A93Very high91.9Very high6 Ų658.2 Ų58.25%0.0531%0.305CS..G310 helixtrans-60.9-29.2179.100000112.7V25 E26 T27 E31 K32 I55 F57 L70V25-A29 HydrophobicContact CG1-CB 3.75Å; E26-A29 WeakPolarHBondContact O-CB 3.28Å; E26-A29 PolarHBondContact O-N 2.72Å; E26-A29 VanDerWaalsContact O-N 3.08Å; T27-A29 PolarHBondContact O-N 2.94Å; A29-E31 PolarHBondContact O-N 2.98Å; A29-K32 PolarHBondContact O-N 2.93Å; A29-I55 HydrophobicContact CB-CD1 3.6Å; A29-F57 WeakPolarHBondContact O-CZ 3.45Å; A29-L70 HydrophobicContact CB-CD2 4.09Å
30I95Very high91.4Very high12 Ų1257.5 Ų57.56%0.06230%0.303CS..G310 helixtrans-66.2-26.7178.8-163.862.8000112.7Y7 L9 V15 T27 S28 K32 F33 V68 L70Y7-I30 HydrophobicContact CD1-CB 4.04Å; Y7-I30 HydrophobicContact CD1-CD1 4.18Å; Y7-I30 HydrophobicContact CD1-CG1 3.74Å; Y7-I30 HydrophobicContact CD1-CG2 4.19Å; Y7-I30 HydrophobicContact CD2-CD1 3.93Å; Y7-I30 HydrophobicContact CD2-CG1 4.33Å; Y7-I30 HydrophobicContact CE1-CB 3.94Å; Y7-I30 HydrophobicContact CE1-CG1 4.18Å; Y7-I30 HydrophobicContact CE1-CG2 3.92Å; Y7-I30 HydrophobicContact CE2-CB 4.5Å; Y7-I30 HydrophobicContact CG-CB 4.4Å; Y7-I30 HydrophobicContact CG-CD1 3.74Å; Y7-I30 HydrophobicContact CG-CG1 3.84Å; L9-I30 HydrophobicContact CD1-CD1 4.13Å; L9-I30 HydrophobicContact CD1-CG1 4.15Å; L9-I30 HydrophobicContact CD2-CD1 4.44Å; L9-I30 HydrophobicContact CD2-CG1 3.97Å; V15-I30 HydrophobicContact CG2-CG2 3.99Å; T27-I30 WeakPolarHBondContact O-CG2 3.42Å; T27-I30 PolarHBondContact O-N 2.92Å; S28-I30 PolarHBondContact O-N 3.48Å; I30-K32 PolarHBondContact O-N 3.08Å; I30-K32 VanDerWaalsContact O-N 3.16Å; I30-F33 HydrophobicContact CD1-CB 4.21Å; I30-F33 VanDerWaalsContact O-CB 3.26Å; I30-F33 WeakPolarHBondContact O-CB 3.49Å; I30-F33 PolarHBondContact O-N 2.64Å; I30-V68 HydrophobicContact CD1-CB 4.24Å; I30-V68 HydrophobicContact CD1-CG1 4.12Å; I30-L70 HydrophobicContact CD1-CD1 4.09Å
31E92.8Very high90.8Very high148 Ų14858 Ų5869%0.69230%0.303SS*.G310 helixtrans-64.7-23.9-178.4-60.5175.6178.500112.1S28 A29 F33S28-E31 WeakPolarHBondContact O-CB 3.29Å; S28-E31 PolarHBondContact O-N 3.17Å; S28-E31 VanDerWaalsContact O-N 3.13Å; A29-E31 PolarHBondContact O-N 2.98Å; E31-F33 VanDerWaalsContact C-N 3.34Å
32K91.7Very high90.3Very high138 Ų13864.5 Ų64.560%0.634%0.335SS*.G310 helixtrans-79.2-16.5177.5-58.6177.5-176.9174.40113.2A29 I30 L52A29-K32 PolarHBondContact O-N 2.93Å; I30-K32 PolarHBondContact O-N 3.08Å; I30-K32 VanDerWaalsContact O-N 3.16Å; K32-L52 HydrophobicContact CB-CD1 3.97Å; K32-L52 WeakPolarHBondContact O-CD1 3.26Å
33F93.7Very high90.1Very high0 Ų068.8 Ų68.80%036%0.357CS..Hα-helixtrans-71.2-54.7-173.4168.7-100.7000112.1L9 I30 E31 V36 A37 L50 F57 Y59 Y66 V68L9-F33 HydrophobicContact CD1-CD1 3.74Å; L9-F33 HydrophobicContact CD1-CE1 4.06Å; I30-F33 HydrophobicContact CD1-CB 4.21Å; I30-F33 VanDerWaalsContact O-CB 3.26Å; I30-F33 WeakPolarHBondContact O-CB 3.49Å; I30-F33 PolarHBondContact O-N 2.64Å; E31-F33 VanDerWaalsContact C-N 3.34Å; F33-V36 PolarHBondContact O-N 3.07Å; F33-A37 HydrophobicContact CD1-CB 4.47Å; F33-A37 HydrophobicContact CE1-CB 3.98Å; F33-A37 HydrophobicContact CE2-CB 4.03Å; F33-A37 HydrophobicContact CZ-CB 3.73Å; F33-A37 WeakPolarHBondContact O-CB 3.47Å; F33-A37 PolarHBondContact O-N 2.76Å; F33-L50 HydrophobicContact CD2-CD1 3.7Å; F33-L50 HydrophobicContact CE2-CD1 3.66Å; F33-L50 HydrophobicContact CE2-CG 4.43Å; F33-F57 HydrophobicContact CB-CD1 3.91Å; F33-F57 HydrophobicContact CB-CE1 3.96Å; F33-F57 HydrophobicContact CD2-CB 3.98Å; F33-F57 AromaticContact CD2-CD1 3.83Å; F33-F57 HydrophobicContact CD2-CD1 3.83Å; F33-F57 HydrophobicContact CD2-CG 4.11Å; F33-F57 HydrophobicContact CE2-CB 4.4Å; F33-F57 HydrophobicContact CG-CD1 4.21Å; F33-Y59 AromaticContact CE2-CD1 3.56Å; F33-Y59 HydrophobicContact CE2-CD1 3.56Å; F33-Y59 HydrophobicContact CE2-CD2 4.34Å; F33-Y59 HydrophobicContact CE2-CE1 4.05Å; F33-Y59 AromaticContact CE2-CG 3.72Å; F33-Y59 HydrophobicContact CE2-CG 3.72Å; F33-Y59 AromaticContact CZ-CD1 3.87Å; F33-Y59 HydrophobicContact CZ-CD1 3.87Å; F33-Y59 AromaticContact CZ-CD2 3.78Å; F33-Y59 HydrophobicContact CZ-CD2 3.78Å; F33-Y59 HydrophobicContact CZ-CE1 4.34Å; F33-Y59 HydrophobicContact CZ-CE2 4.25Å; F33-Y59 AromaticContact CZ-CG 3.55Å; F33-Y59 HydrophobicContact CZ-CG 3.55Å; F33-Y66 HydrophobicContact CE1-CD1 4.05Å; F33-Y66 HydrophobicContact CE1-CG 4.41Å; F33-Y66 HydrophobicContact CZ-CD1 4.14Å; F33-V68 HydrophobicContact CD1-CG2 4.06Å; F33-V68 HydrophobicContact CD2-CG1 4.03Å; F33-V68 HydrophobicContact CE1-CG2 3.61Å; F33-V68 HydrophobicContact CE2-CG1 4.04Å; F33-V68 HydrophobicContact CE2-CG2 4.28Å; F33-V68 HydrophobicContact CG-CG1 4.33Å; F33-V68 HydrophobicContact CZ-CG1 4.35Å; F33-V68 HydrophobicContact CZ-CG2 3.74Å
34M91.6Very high89.6Confident16 Ų1668.6 Ų68.68%0.07936%0.355CS..Hα-helixtrans-61.4-44.4-167.6-163.869.3-178.600113.7N11 V36 A37 M38 Y66N11-M34 VanDerWaalsContact O-CE 3.25Å; N11-M34 WeakPolarHBondContact O-CE 3.26Å; M34-V36 VanDerWaalsContact C-N 3.3Å; M34-V36 PolarHBondContact O-N 3.42Å; M34-A37 PolarHBondContact O-N 3.01Å; M34-M38 HydrophobicContact CE-CG 3.82Å; M34-M38 HydrophobicContact CE-SD 3.83Å; M34-M38 HydrophobicContact CG-CG 4.23Å; M34-M38 HydrophobicContact CG-SD 4.06Å; M34-M38 WeakPolarHBondContact O-CB 3.22Å; M34-M38 WeakPolarHBondContact O-CG 3.25Å; M34-M38 PolarHBondContact O-N 3.36Å; M34-M38 HydrophobicContact SD-CG 4.43Å; M34-Y66 HydrophobicContact CE-CD2 4.29Å; M34-Y66 HydrophobicContact CE-CE2 3.69Å; M34-Y66 HydrophobicContact SD-CD2 4.43Å; M34-Y66 HydrophobicContact SD-CE2 4.28Å
35P90.5Very high89Confident83 Ų8368.1 Ų68.154%0.53936%0.355SS..Hα-helixtrans-57.9-42.4178.9-25.535.8000112.9E39P35-E39 WeakPolarHBondContact O-CB 3.26Å; P35-E39 PolarHBondContact O-N 2.9Å; P35-E39 VanDerWaalsContact O-N 3.12Å
36V90.3Very high88.2Confident35 Ų3575.7 Ų75.721%0.21239%0.394CS..Hα-helixtrans-74.9-36.8-179.3-176.70000111.6F33 M34 R40 L50 L52F33-V36 PolarHBondContact O-N 3.07Å; M34-V36 VanDerWaalsContact C-N 3.3Å; M34-V36 PolarHBondContact O-N 3.42Å; V36-R40 WeakPolarHBondContact O-CG 3.32Å; V36-R40 PolarHBondContact O-N 3.04Å; V36-R40 VanDerWaalsContact O-N 3.13Å; V36-L50 HydrophobicContact CB-CD1 4.36Å; V36-L50 HydrophobicContact CG1-CD1 4.24Å; V36-L52 HydrophobicContact CB-CD2 4.49Å; V36-L52 HydrophobicContact CG1-CD2 4.25Å; V36-L52 HydrophobicContact CG2-CD1 4.24Å; V36-L52 HydrophobicContact CG2-CD2 3.99Å
37A88.7Confident88Confident0 Ų073.2 Ų73.20%038%0.384CS..Hα-helixtrans-64-42.7176.400000111.3F33 M34 R40 E41 L50F33-A37 HydrophobicContact CD1-CB 4.47Å; F33-A37 HydrophobicContact CE1-CB 3.98Å; F33-A37 HydrophobicContact CE2-CB 4.03Å; F33-A37 HydrophobicContact CZ-CB 3.73Å; F33-A37 WeakPolarHBondContact O-CB 3.47Å; F33-A37 PolarHBondContact O-N 2.76Å; M34-A37 PolarHBondContact O-N 3.01Å; A37-R40 PolarHBondContact O-N 2.88Å; A37-E41 WeakPolarHBondContact O-CG 3.32Å; A37-E41 PolarHBondContact O-N 3.07Å; A37-L50 HydrophobicContact CB-CD1 4.09Å
38M86.9Confident87.9Confident84 Ų8471.5 Ų71.541%0.41438%0.375SS..Hα-helixtrans-66.5-45.7177.4-70.8-175.173.400112.3M34 R40 E41 E42M34-M38 HydrophobicContact CE-CG 3.82Å; M34-M38 HydrophobicContact CE-SD 3.83Å; M34-M38 HydrophobicContact CG-CG 4.23Å; M34-M38 HydrophobicContact CG-SD 4.06Å; M34-M38 WeakPolarHBondContact O-CB 3.22Å; M34-M38 WeakPolarHBondContact O-CG 3.25Å; M34-M38 PolarHBondContact O-N 3.36Å; M34-M38 HydrophobicContact SD-CG 4.43Å; M38-R40 VanDerWaalsContact C-N 3.26Å; M38-R40 PolarHBondContact O-N 2.8Å; M38-E41 PolarHBondContact O-N 3.12Å; M38-E41 VanDerWaalsContact O-N 3.11Å; M38-E42 WeakPolarHBondContact O-CG 3.28Å; M38-E42 PolarHBondContact O-N 2.69Å
39E88.2Confident88Confident113 Ų11371.2 Ų71.253%0.52837%0.371SS..Hα-helixtrans-55.1-44.2175.7-176.5178.1-161.600111.1P35 E42 E43P35-E39 WeakPolarHBondContact O-CB 3.26Å; P35-E39 PolarHBondContact O-N 2.9Å; P35-E39 VanDerWaalsContact O-N 3.12Å; E39-E42 PolarHBondContact O-N 2.88Å; E39-E43 WeakPolarHBondContact O-CG 3.48Å; E39-E43 PolarHBondContact O-N 2.9Å; E39-E43 VanDerWaalsContact O-N 3.08Å
40R84.7Confident88Confident71 Ų7171 Ų7127%0.26837%0.369SS..Hα-helixtrans-68.6-36.4176.5-74.7-170-177.8-167.32113.9V36 A37 M38 E42 E43 G44 S45 V49 L50V36-R40 WeakPolarHBondContact O-CG 3.32Å; V36-R40 PolarHBondContact O-N 3.04Å; V36-R40 VanDerWaalsContact O-N 3.13Å; A37-R40 PolarHBondContact O-N 2.88Å; M38-R40 VanDerWaalsContact C-N 3.26Å; M38-R40 PolarHBondContact O-N 2.8Å; R40-E42 VanDerWaalsContact C-N 3.32Å; R40-E43 PolarHBondContact O-N 2.82Å; R40-G44 PolarHBondContact O-N 2.89Å; R40-S45 WeakPolarHBondContact O-CA 3.39Å; R40-S45 VanDerWaalsContact O-CB 3.32Å; R40-S45 WeakPolarHBondContact O-CB 3.39Å; R40-S45 PolarHBondContact O-N 3.34Å; R40-V49 PolarHBondContact NH1-O 3.3Å; R40-L50 VanDerWaalsContact CZ-CD2 3.48Å
41E83.2Confident87.8Confident63 Ų6375.4 Ų75.429%0.29439%0.389SS..Hα-helixtrans-64.7-38.6174.8-79.8-175.8-158.100111.4A37 M38 E43 G44 K61 Y66A37-E41 WeakPolarHBondContact O-CG 3.32Å; A37-E41 PolarHBondContact O-N 3.07Å; M38-E41 PolarHBondContact O-N 3.12Å; M38-E41 VanDerWaalsContact O-N 3.11Å; E41-E43 VanDerWaalsContact C-N 3.34Å; E41-G44 PolarHBondContact O-N 3.06Å; E41-K61 IonicContact OE1-NZ 3.73Å; E41-K61 IonicContact OE2-NZ 2.99Å; E41-K61 PolarHBondContact OE2-NZ 3.24Å; E41-Y66 VanDerWaalsContact OE1-CE1 3.23Å; E41-Y66 WeakPolarHBondContact OE1-CE1 3.35Å; E41-Y66 PolarHBondContact OE1-OH 2.9Å; E41-Y66 PolarHBondContact OE2-OH 3.42Å; E41-Y66 VanDerWaalsContact OE2-OH 3.05Å
42E84.2Confident87.8Confident162 Ų16270.5 Ų70.576%0.75737%0.368SS*.Hα-helixtrans-65.1-35.9174.4-71.4177.9-174.600112.2M38 E39 R40 G44M38-E42 WeakPolarHBondContact O-CG 3.28Å; M38-E42 PolarHBondContact O-N 2.69Å; E39-E42 PolarHBondContact O-N 2.88Å; R40-E42 VanDerWaalsContact C-N 3.32Å; E42-G44 PolarHBondContact O-N 3.04Å
43E86.1Confident87.6Confident142 Ų14267.3 Ų67.366%0.66437%0.374SS*.THydrogen-bonded Turntrans-70.8-5.6171.3-69178.3166.400113.7E39 R40 E41 S45E39-E43 WeakPolarHBondContact O-CG 3.48Å; E39-E43 PolarHBondContact O-N 2.9Å; E39-E43 VanDerWaalsContact O-N 3.08Å; R40-E43 PolarHBondContact O-N 2.82Å; E41-E43 VanDerWaalsContact C-N 3.34Å; E43-S45 VanDerWaalsContact C-N 3.28Å; E43-S45 PolarHBondContact O-N 2.96Å
44G80.4Confident87.5Confident57 Ų5774 Ų7459%0.58841%0.405SS*.THydrogen-bonded Turntrans74.915.3-175.700000114R40 E41 E42R40-G44 PolarHBondContact O-N 2.89Å; E41-G44 PolarHBondContact O-N 3.06Å; E42-G44 PolarHBondContact O-N 3.04Å
45S79.1Confident87.6Confident30 Ų3074.3 Ų74.321%0.2141%0.407CS..  trans-83.4115.3179.8-173.70000111.1R40 E43 I47R40-S45 WeakPolarHBondContact O-CA 3.39Å; R40-S45 VanDerWaalsContact O-CB 3.32Å; R40-S45 WeakPolarHBondContact O-CB 3.39Å; R40-S45 PolarHBondContact O-N 3.34Å; E43-S45 VanDerWaalsContact C-N 3.28Å; E43-S45 PolarHBondContact O-N 2.96Å; S45-I47 VanDerWaalsContact C-N 3.32Å; S45-I47 PolarHBondContact O-N 2.92Å; S45-I47 WeakPolarHBondContact OG-CD1 3.35Å; S45-I47 WeakPolarHBondContact OG-CG1 3.41Å
46L76.4Confident87.8Confident164 Ų16471.4 Ų71.486%0.85939%0.388SS*.  trans-95.325-179.1-63.4170.1000112.8P48L46-P48 VanDerWaalsContact O-CD 3.29Å; L46-P48 WeakPolarHBondContact O-CD 3.34Å
47I86.6Confident88.1Confident87 Ų8769.9 Ų69.945%0.44638%0.378SS..  trans-74.1114.8-176.1-59.4172000109.1S45 V49 Y59S45-I47 VanDerWaalsContact C-N 3.32Å; S45-I47 PolarHBondContact O-N 2.92Å; S45-I47 WeakPolarHBondContact OG-CD1 3.35Å; S45-I47 WeakPolarHBondContact OG-CG1 3.41Å; I47-V49 PolarHBondContact O-N 3.22Å; I47-Y59 PolarHBondContact O-OH 3.26Å
48P90.9Very high88.4Confident44 Ų4470 Ų7029%0.28638%0.379SS..  trans-81.815-171.836.1-37.7000113.4L46 T58 Y59 L81L46-P48 VanDerWaalsContact O-CD 3.29Å; L46-P48 WeakPolarHBondContact O-CD 3.34Å; P48-T58 WeakPolarHBondContact O-CA 3.29Å; P48-Y59 WeakPolarHBondContact CB-O 3.47Å; P48-Y59 WeakPolarHBondContact O-CD1 3.45Å; P48-Y59 PolarHBondContact O-N 2.83Å; P48-L81 HydrophobicContact CB-CD2 3.8Å; P48-L81 HydrophobicContact CG-CD1 3.99Å; P48-L81 HydrophobicContact CG-CD2 4.01Å
49V93.5Very high88.8Confident41 Ų4166.6 Ų66.625%0.24836%0.361CS..EExtended strand (participates in β ladder)trans-134.9123-174.5-1670000110.2R40 I47 T56 F57 V77R40-V49 PolarHBondContact NH1-O 3.3Å; I47-V49 PolarHBondContact O-N 3.22Å; V49-T56 HydrophobicContact CG1-CG2 3.61Å; V49-F57 CarbonylContact C-O 3.56Å; V49-F57 VanDerWaalsContact CA-O 3.27Å; V49-F57 WeakPolarHBondContact CA-O 3.45Å; V49-V77 HydrophobicContact CG1-CG1 4.43Å; V49-V77 HydrophobicContact CG2-CG1 3.4Å
50L92.9Very high89.2Confident1 Ų161.5 Ų61.51%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-116.7135.6173.5-45.2-179.6000109.1F33 V36 A37 R40 T56 F57 Y59F33-L50 HydrophobicContact CD2-CD1 3.7Å; F33-L50 HydrophobicContact CE2-CD1 3.66Å; F33-L50 HydrophobicContact CE2-CG 4.43Å; V36-L50 HydrophobicContact CB-CD1 4.36Å; V36-L50 HydrophobicContact CG1-CD1 4.24Å; A37-L50 HydrophobicContact CB-CD1 4.09Å; R40-L50 VanDerWaalsContact CZ-CD2 3.48Å; L50-T56 CarbonylContact O-C 3.58Å; L50-T56 WeakPolarHBondContact O-CA 3.4Å; L50-F57 HydrophobicContact CB-CB 4.18Å; L50-F57 PolarHBondContact N-O 3.22Å; L50-F57 PolarHBondContact O-N 2.78Å; L50-Y59 HydrophobicContact CD1-CE1 4.25Å; L50-Y59 HydrophobicContact CD2-CE1 4.16Å; L50-Y59 HydrophobicContact CG-CD1 4.44Å; L50-Y59 HydrophobicContact CG-CE1 3.92Å
51Q91.6Very high89.5Confident104 Ų10462.1 Ų62.149%0.48634%0.343SS..EExtended strand (participates in β ladder)trans-110112.9170.7-174.970.729.500108G53 T56Q51-G53 PolarHBondContact NE2-O 2.98Å; Q51-T56 VanDerWaalsContact OE1-CB 3.27Å; Q51-T56 PolarHBondContact OE1-OG1 3.43Å
52L91.5Very high89.9Confident46 Ų4662.7 Ų62.724%0.24134%0.343CS..EExtended strand (participates in β ladder)trans-119.6102.8177.3-54.4174.9000108.9K32 V36 E54 I55 F57K32-L52 HydrophobicContact CB-CD1 3.97Å; K32-L52 WeakPolarHBondContact O-CD1 3.26Å; V36-L52 HydrophobicContact CB-CD2 4.49Å; V36-L52 HydrophobicContact CG1-CD2 4.25Å; V36-L52 HydrophobicContact CG2-CD1 4.24Å; V36-L52 HydrophobicContact CG2-CD2 3.99Å; L52-E54 PolarHBondContact O-N 3.09Å; L52-I55 PolarHBondContact N-O 3.07Å; L52-I55 PolarHBondContact O-N 3.04Å; L52-F57 HydrophobicContact CB-CD2 4.35Å; L52-F57 HydrophobicContact CB-CE2 3.81Å; L52-F57 HydrophobicContact CD1-CD2 4.19Å; L52-F57 HydrophobicContact CD1-CE2 3.89Å; L52-F57 HydrophobicContact CD1-CZ 4.33Å; L52-F57 HydrophobicContact CG-CD2 4.21Å; L52-F57 HydrophobicContact CG-CE2 4.04Å
53G89.4Confident90Very high70 Ų7059.9 Ų59.972%0.72233%0.333SS*.THydrogen-bonded Turntrans61.6-128.5-17100000111.2Q51 I55Q51-G53 PolarHBondContact NE2-O 2.98Å; G53-I55 VanDerWaalsContact C-N 3.28Å; G53-I55 PolarHBondContact O-N 3.41Å
54E90.8Very high90.2Very high141 Ų14161.3 Ų61.366%0.65933%0.333SS*.THydrogen-bonded Turntrans-84.10.8-179.9-59.7-173.6168.900113.8L52 R72L52-E54 PolarHBondContact O-N 3.09Å; E54-R72 HydrophobicContact CB-CG 4.33Å
55I94.5Very high90.8Very high23 Ų2358.8 Ų58.812%0.11831%0.306CS..EExtended strand (participates in β ladder)trans-110.5125.4-174.4-56170.1000109.8V25 A29 L52 G53 F57 L70 T71V25-I55 HydrophobicContact CG1-CD1 3.8Å; A29-I55 HydrophobicContact CB-CD1 3.6Å; L52-I55 PolarHBondContact N-O 3.07Å; L52-I55 PolarHBondContact O-N 3.04Å; G53-I55 VanDerWaalsContact C-N 3.28Å; G53-I55 PolarHBondContact O-N 3.41Å; I55-F57 HydrophobicContact CB-CE2 3.79Å; I55-F57 HydrophobicContact CB-CZ 4.28Å; I55-F57 HydrophobicContact CG2-CD2 4.06Å; I55-F57 HydrophobicContact CG2-CE1 4.47Å; I55-F57 HydrophobicContact CG2-CE2 3.51Å; I55-F57 HydrophobicContact CG2-CZ 3.76Å; I55-L70 HydrophobicContact CG2-CB 4.07Å; I55-L70 HydrophobicContact CG2-CD2 4.14Å; I55-L70 HydrophobicContact CG2-CG 4.23Å; I55-T71 WeakPolarHBondContact CA-O 3.42Å
56T94.9Very high91.5Very high22 Ų2257.4 Ų57.414%0.13530%0.296CS..EExtended strand (participates in β ladder)trans-92.3126.5168.8-430000109.4V49 L50 Q51 L70 T71V49-T56 HydrophobicContact CG1-CG2 3.61Å; L50-T56 CarbonylContact O-C 3.58Å; L50-T56 WeakPolarHBondContact O-CA 3.4Å; Q51-T56 VanDerWaalsContact OE1-CB 3.27Å; Q51-T56 PolarHBondContact OE1-OG1 3.43Å; T56-L70 CarbonylContact O-C 3.53Å; T56-L70 WeakPolarHBondContact O-CA 3.37Å; T56-T71 PolarHBondContact N-O 2.87Å; T56-T71 PolarHBondContact O-N 3.06Å
57F95.6Very high92.5Very high2 Ų249.6 Ų49.61%0.00926%0.255CS..EExtended strand (participates in β ladder)trans-104123.4172.8-59.5-106.1000107.4A29 F33 V49 L50 L52 I55 V68 C69 L70A29-F57 WeakPolarHBondContact O-CZ 3.45Å; F33-F57 HydrophobicContact CB-CD1 3.91Å; F33-F57 HydrophobicContact CB-CE1 3.96Å; F33-F57 HydrophobicContact CD2-CB 3.98Å; F33-F57 AromaticContact CD2-CD1 3.83Å; F33-F57 HydrophobicContact CD2-CD1 3.83Å; F33-F57 HydrophobicContact CD2-CG 4.11Å; F33-F57 HydrophobicContact CE2-CB 4.4Å; F33-F57 HydrophobicContact CG-CD1 4.21Å; V49-F57 CarbonylContact C-O 3.56Å; V49-F57 VanDerWaalsContact CA-O 3.27Å; V49-F57 WeakPolarHBondContact CA-O 3.45Å; L50-F57 HydrophobicContact CB-CB 4.18Å; L50-F57 PolarHBondContact N-O 3.22Å; L50-F57 PolarHBondContact O-N 2.78Å; L52-F57 HydrophobicContact CB-CD2 4.35Å; L52-F57 HydrophobicContact CB-CE2 3.81Å; L52-F57 HydrophobicContact CD1-CD2 4.19Å; L52-F57 HydrophobicContact CD1-CE2 3.89Å; L52-F57 HydrophobicContact CD1-CZ 4.33Å; L52-F57 HydrophobicContact CG-CD2 4.21Å; L52-F57 HydrophobicContact CG-CE2 4.04Å; I55-F57 HydrophobicContact CB-CE2 3.79Å; I55-F57 HydrophobicContact CB-CZ 4.28Å; I55-F57 HydrophobicContact CG2-CD2 4.06Å; I55-F57 HydrophobicContact CG2-CE1 4.47Å; I55-F57 HydrophobicContact CG2-CE2 3.51Å; I55-F57 HydrophobicContact CG2-CZ 3.76Å; F57-V68 HydrophobicContact CB-CG1 4.3Å; F57-V68 HydrophobicContact CD1-CG1 4.04Å; F57-C69 WeakPolarHBondContact CA-O 3.49Å; F57-L70 HydrophobicContact CD1-CD1 4.18Å; F57-L70 HydrophobicContact CD1-CD2 4.12Å; F57-L70 HydrophobicContact CD1-CG 3.73Å; F57-L70 HydrophobicContact CE1-CD1 4.35Å; F57-L70 HydrophobicContact CE1-CD2 3.54Å; F57-L70 HydrophobicContact CE1-CG 3.7Å; F57-L70 HydrophobicContact CG-CG 4.49Å; F57-L70 HydrophobicContact CZ-CD2 4.05Å; F57-L70 HydrophobicContact CZ-CG 4.41Å
58T95.8Very high93Very high3 Ų345.4 Ų45.42%0.01823%0.234CC..EExtended strand (participates in β ladder)trans-116.1126171.8-56.10000107.4P48 C69 V77 V80 L81 L84P48-T58 WeakPolarHBondContact O-CA 3.29Å; T58-C69 PolarHBondContact N-O 2.77Å; T58-C69 PolarHBondContact O-N 2.8Å; T58-V77 HydrophobicContact CG2-CG1 3.87Å; T58-V80 HydrophobicContact CG2-CB 4.19Å; T58-V80 HydrophobicContact CG2-CG1 3.83Å; T58-L81 HydrophobicContact CG2-CD2 3.48Å; T58-L81 VanDerWaalsContact CG2-CD2 3.48Å; T58-L81 HydrophobicContact CG2-CG 3.58Å; T58-L84 HydrophobicContact CG2-CD1 4.38Å
59Y95.4Very high93.3Very high13 Ų1343.4 Ų43.45%0.05122%0.221CC..EExtended strand (participates in β ladder)trans-137.4154.3-17372.4-78.4000113.7F33 I47 P48 L50 Y66 L67F33-Y59 AromaticContact CE2-CD1 3.56Å; F33-Y59 HydrophobicContact CE2-CD1 3.56Å; F33-Y59 HydrophobicContact CE2-CD2 4.34Å; F33-Y59 HydrophobicContact CE2-CE1 4.05Å; F33-Y59 AromaticContact CE2-CG 3.72Å; F33-Y59 HydrophobicContact CE2-CG 3.72Å; F33-Y59 AromaticContact CZ-CD1 3.87Å; F33-Y59 HydrophobicContact CZ-CD1 3.87Å; F33-Y59 AromaticContact CZ-CD2 3.78Å; F33-Y59 HydrophobicContact CZ-CD2 3.78Å; F33-Y59 HydrophobicContact CZ-CE1 4.34Å; F33-Y59 HydrophobicContact CZ-CE2 4.25Å; F33-Y59 AromaticContact CZ-CG 3.55Å; F33-Y59 HydrophobicContact CZ-CG 3.55Å; I47-Y59 PolarHBondContact O-OH 3.26Å; P48-Y59 WeakPolarHBondContact CB-O 3.47Å; P48-Y59 WeakPolarHBondContact O-CD1 3.45Å; P48-Y59 PolarHBondContact O-N 2.83Å; L50-Y59 HydrophobicContact CD1-CE1 4.25Å; L50-Y59 HydrophobicContact CD2-CE1 4.16Å; L50-Y59 HydrophobicContact CG-CD1 4.44Å; L50-Y59 HydrophobicContact CG-CE1 3.92Å; Y59-Y66 AromaticContact CD2-CD1 3.96Å; Y59-Y66 HydrophobicContact CD2-CD1 3.96Å; Y59-Y66 HydrophobicContact CD2-CE1 4.35Å; Y59-Y66 HydrophobicContact CE2-CD1 4.3Å; Y59-Y66 HydrophobicContact CE2-CE1 4.22Å; Y59-L67 CarbonylContact C-O 3.53Å; Y59-L67 WeakPolarHBondContact CA-O 3.47Å; Y59-L67 WeakPolarHBondContact CB-O 2.72Å
60V94.9Very high93.5Very high6 Ų641.4 Ų41.44%0.03621%0.209CC..EExtended strand (participates in β ladder)trans-127.8131169.2174.40000107.4L67 L81 L84 Y85V60-L67 PolarHBondContact N-O 2.91Å; V60-L67 PolarHBondContact O-N 2.88Å; V60-L81 HydrophobicContact CG2-CD2 4.17Å; V60-L84 HydrophobicContact CB-CB 4.26Å; V60-L84 HydrophobicContact CG2-CB 3.71Å; V60-L84 HydrophobicContact CG2-CD1 4.04Å; V60-Y85 HydrophobicContact CG1-CD1 4.06Å; V60-Y85 HydrophobicContact CG1-CE1 3.63Å; V60-Y85 HydrophobicContact CG2-CD2 4.22Å; V60-Y85 HydrophobicContact CG2-CE1 4.26Å; V60-Y85 HydrophobicContact CG2-CE2 3.87Å
61K91.6Very high93.6Very high84 Ų8441.7 Ų41.737%0.36521%0.211SC..EExtended strand (participates in β ladder)trans-94.5124.1170.6-174.9175.1-178.6161.80108.5E41 L65 Y66E41-K61 IonicContact OE1-NZ 3.73Å; E41-K61 IonicContact OE2-NZ 2.99Å; E41-K61 PolarHBondContact OE2-NZ 3.24Å; K61-L65 WeakPolarHBondContact CA-O 3.22Å; K61-Y66 HydrophobicContact CB-CD1 4.29Å; K61-Y66 HydrophobicContact CB-CE1 4.17Å; K61-Y66 HydrophobicContact CD-CE1 3.85Å; K61-Y66 HydrophobicContact CD-CE2 4.28Å; K61-Y66 WeakPolarHBondContact CE-OH 3.25Å; K61-Y66 HydrophobicContact CG-CD1 4.45Å; K61-Y66 HydrophobicContact CG-CE1 4.11Å; K61-Y66 HydrophobicContact CG-CE2 4.46Å; K61-Y66 PolarHBondContact NZ-OH 2.81Å
62Y91.9Very high93.6Very high75 Ų7542.4 Ų42.429%0.29421%0.209SC..EExtended strand (participates in β ladder)trans-126.3117.4173.2-173-91.4000108.4Y64 L65 V88 L92 F98Y62-Y64 PolarHBondContact O-N 2.83Å; Y62-Y64 VanDerWaalsContact O-N 3.11Å; Y62-L65 PolarHBondContact N-O 3.24Å; Y62-L65 PolarHBondContact O-N 3.45Å; Y62-V88 HydrophobicContact CD1-CG1 4.14Å; Y62-V88 HydrophobicContact CD2-CG1 3.52Å; Y62-V88 HydrophobicContact CE1-CG1 4.32Å; Y62-V88 HydrophobicContact CE2-CG1 3.74Å; Y62-V88 HydrophobicContact CG-CG1 3.73Å; Y62-L92 HydrophobicContact CE1-CD2 4.25Å; Y62-L92 HydrophobicContact CE2-CD1 4.41Å; Y62-L92 WeakPolarHBondContact OH-CD1 3.37Å; Y62-F98 HydrophobicContact CD1-CB 4.43Å; Y62-F98 AromaticContact CD1-CD1 3.56Å; Y62-F98 HydrophobicContact CD1-CD1 3.56Å; Y62-F98 HydrophobicContact CD1-CE1 4.32Å; Y62-F98 HydrophobicContact CD1-CG 4.45Å; Y62-F98 HydrophobicContact CE1-CB 4.16Å; Y62-F98 HydrophobicContact CE1-CD1 4.08Å; Y62-F98 HydrophobicContact CG-CD1 4.22Å
63N87.2Confident93.5Very high102 Ų10245 Ų4555%0.54522%0.218SC..THydrogen-bonded Turntrans50.6-114.4-168.6-62.4-22.2000111.6
64Y88.3Confident93.5Very high173 Ų17349.3 Ų49.368%0.67823%0.225SC*.THydrogen-bonded Turntrans-103.813.3-179.5-58.4-68.5000113.1D10 N11 Y62D10-Y64 CarbonylContact C-O 3.56Å; N11-Y64 PolarHBondContact N-O 2.94Å; Y62-Y64 PolarHBondContact O-N 2.83Å; Y62-Y64 VanDerWaalsContact O-N 3.11Å
65L94Very high93.3Very high3 Ų343.1 Ų43.12%0.01620%0.198CC..EExtended strand (participates in β ladder)trans-113.1141.5-178.4-62.5178.2000111.5I8 L9 L16 K61 Y62 F98 E100 I103I8-L65 HydrophobicContact CG2-CB 4.48Å; L9-L65 WeakPolarHBondContact O-CA 3.49Å; L16-L65 HydrophobicContact CD1-CD2 3.5Å; K61-L65 WeakPolarHBondContact CA-O 3.22Å; Y62-L65 PolarHBondContact N-O 3.24Å; Y62-L65 PolarHBondContact O-N 3.45Å; L65-F98 HydrophobicContact CD1-CD1 4.27Å; L65-F98 HydrophobicContact CD1-CD2 4.2Å; L65-F98 HydrophobicContact CD1-CE1 3.97Å; L65-F98 HydrophobicContact CD1-CE2 3.9Å; L65-F98 HydrophobicContact CD1-CG 4.38Å; L65-F98 HydrophobicContact CD1-CZ 3.76Å; L65-E100 HydrophobicContact CD2-CB 4.32Å; L65-I103 HydrophobicContact CD1-CD1 3.75Å; L65-I103 HydrophobicContact CD2-CD1 4.44Å
66Y94.8Very high93.2Very high1 Ų146.1 Ų46.10%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-110.5119.1172.2-70-97.6000109.9I8 L9 F33 M34 E41 Y59 K61I8-Y66 CarbonylContact C-O 3.49Å; I8-Y66 VanDerWaalsContact CA-O 3.3Å; I8-Y66 WeakPolarHBondContact CA-O 3.25Å; L9-Y66 PolarHBondContact N-O 3.08Å; L9-Y66 PolarHBondContact O-N 3.25Å; F33-Y66 HydrophobicContact CE1-CD1 4.05Å; F33-Y66 HydrophobicContact CE1-CG 4.41Å; F33-Y66 HydrophobicContact CZ-CD1 4.14Å; M34-Y66 HydrophobicContact CE-CD2 4.29Å; M34-Y66 HydrophobicContact CE-CE2 3.69Å; M34-Y66 HydrophobicContact SD-CD2 4.43Å; M34-Y66 HydrophobicContact SD-CE2 4.28Å; E41-Y66 VanDerWaalsContact OE1-CE1 3.23Å; E41-Y66 WeakPolarHBondContact OE1-CE1 3.35Å; E41-Y66 PolarHBondContact OE1-OH 2.9Å; E41-Y66 PolarHBondContact OE2-OH 3.42Å; E41-Y66 VanDerWaalsContact OE2-OH 3.05Å; Y59-Y66 AromaticContact CD2-CD1 3.96Å; Y59-Y66 HydrophobicContact CD2-CD1 3.96Å; Y59-Y66 HydrophobicContact CD2-CE1 4.35Å; Y59-Y66 HydrophobicContact CE2-CD1 4.3Å; Y59-Y66 HydrophobicContact CE2-CE1 4.22Å; K61-Y66 HydrophobicContact CB-CD1 4.29Å; K61-Y66 HydrophobicContact CB-CE1 4.17Å; K61-Y66 HydrophobicContact CD-CE1 3.85Å; K61-Y66 HydrophobicContact CD-CE2 4.28Å; K61-Y66 WeakPolarHBondContact CE-OH 3.25Å; K61-Y66 HydrophobicContact CG-CD1 4.45Å; K61-Y66 HydrophobicContact CG-CE1 4.11Å; K61-Y66 HydrophobicContact CG-CE2 4.46Å; K61-Y66 PolarHBondContact NZ-OH 2.81Å
67L97.2Very high93Very high0 Ų047.2 Ų47.20%022%0.221CC..EExtended strand (participates in β ladder)trans-99.6115.5171.8-66.183.8000107.5Y7 I8 Y59 V60 L84 L87 V88 F91 F98Y7-L67 WeakPolarHBondContact O-CA 3.39Å; I8-L67 HydrophobicContact CG1-CG 4.33Å; I8-L67 HydrophobicContact CG2-CG 4.43Å; Y59-L67 CarbonylContact C-O 3.53Å; Y59-L67 WeakPolarHBondContact CA-O 3.47Å; Y59-L67 WeakPolarHBondContact CB-O 2.72Å; V60-L67 PolarHBondContact N-O 2.91Å; V60-L67 PolarHBondContact O-N 2.88Å; L67-L84 HydrophobicContact CB-CD2 3.91Å; L67-L87 HydrophobicContact CD2-CD2 3.98Å; L67-L87 HydrophobicContact CD2-CG 4.09Å; L67-V88 HydrophobicContact CD1-CG2 4.03Å; L67-V88 HydrophobicContact CD2-CG2 3.91Å; L67-F91 HydrophobicContact CD2-CE2 4.41Å; L67-F98 HydrophobicContact CD1-CE1 3.57Å; L67-F98 HydrophobicContact CD1-CZ 3.84Å; L67-F98 HydrophobicContact CD2-CE1 4.18Å; L67-F98 HydrophobicContact CD2-CZ 4.01Å; L67-F98 HydrophobicContact CG-CE1 4.38Å; L67-F98 HydrophobicContact CG-CZ 4.25Å
68V97.1Very high92.9Very high0 Ų050.2 Ų50.20%025%0.246CC..EExtended strand (participates in β ladder)trans-124.8118.3-169.1-167.80000109.6L6 Y7 L9 I30 F33 F57 L70L6-V68 CarbonylContact C-O 3.55Å; L6-V68 WeakPolarHBondContact CA-O 3.48Å; Y7-V68 PolarHBondContact N-O 3.01Å; Y7-V68 PolarHBondContact O-N 3.04Å; L9-V68 HydrophobicContact CD1-CG2 4.13Å; L9-V68 HydrophobicContact CG-CG2 4.42Å; I30-V68 HydrophobicContact CD1-CB 4.24Å; I30-V68 HydrophobicContact CD1-CG1 4.12Å; F33-V68 HydrophobicContact CD1-CG2 4.06Å; F33-V68 HydrophobicContact CD2-CG1 4.03Å; F33-V68 HydrophobicContact CE1-CG2 3.61Å; F33-V68 HydrophobicContact CE2-CG1 4.04Å; F33-V68 HydrophobicContact CE2-CG2 4.28Å; F33-V68 HydrophobicContact CG-CG1 4.33Å; F33-V68 HydrophobicContact CZ-CG1 4.35Å; F33-V68 HydrophobicContact CZ-CG2 3.74Å; F57-V68 HydrophobicContact CB-CG1 4.3Å; F57-V68 HydrophobicContact CD1-CG1 4.04Å; V68-L70 HydrophobicContact CG1-CD1 4Å
69C97Very high92.7Very high1 Ų152.7 Ų52.71%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-98.1134.1168-77.10000110.1V3 A5 F57 T58 V80V3-C69 HydrophobicContact CG1-CB 3.88Å; V3-C69 HydrophobicContact CG2-CB 4.2Å; A5-C69 WeakPolarHBondContact O-CA 3.3Å; F57-C69 WeakPolarHBondContact CA-O 3.49Å; T58-C69 PolarHBondContact N-O 2.77Å; T58-C69 PolarHBondContact O-N 2.8Å; C69-V80 HydrophobicContact CB-CG1 3.43Å; C69-V80 VanDerWaalsContact CB-CG1 3.43Å
70L96.3Very high92.6Very high0 Ų052.2 Ų52.20%026%0.257CS..EExtended strand (participates in β ladder)trans-107147.4175.3-69.371.8000109.1S4 A5 Y7 V25 A29 I30 I55 T56 F57 V68S4-L70 WeakPolarHBondContact CB-O 3.37Å; S4-L70 PolarHBondContact N-O 3.4Å; A5-L70 PolarHBondContact O-N 3.34Å; Y7-L70 HydrophobicContact CD2-CD1 3.4Å; Y7-L70 VanDerWaalsContact CD2-CD1 3.4Å; Y7-L70 HydrophobicContact CE2-CD1 3.64Å; Y7-L70 HydrophobicContact CE2-CD2 4.19Å; V25-L70 HydrophobicContact CG1-CD2 3.86Å; A29-L70 HydrophobicContact CB-CD2 4.09Å; I30-L70 HydrophobicContact CD1-CD1 4.09Å; I55-L70 HydrophobicContact CG2-CB 4.07Å; I55-L70 HydrophobicContact CG2-CD2 4.14Å; I55-L70 HydrophobicContact CG2-CG 4.23Å; T56-L70 CarbonylContact O-C 3.53Å; T56-L70 WeakPolarHBondContact O-CA 3.37Å; F57-L70 HydrophobicContact CD1-CD1 4.18Å; F57-L70 HydrophobicContact CD1-CD2 4.12Å; F57-L70 HydrophobicContact CD1-CG 3.73Å; F57-L70 HydrophobicContact CE1-CD1 4.35Å; F57-L70 HydrophobicContact CE1-CD2 3.54Å; F57-L70 HydrophobicContact CE1-CG 3.7Å; F57-L70 HydrophobicContact CG-CG 4.49Å; F57-L70 HydrophobicContact CZ-CD2 4.05Å; F57-L70 HydrophobicContact CZ-CG 4.41Å; V68-L70 HydrophobicContact CG1-CD1 4Å
71T95.2Very high92.6Very high7 Ų753.5 Ų53.54%0.04326%0.263CS..EExtended strand (participates in β ladder)trans-148.4142167.5-172.10000110.6V2 I55 T56 K73 A75V2-T71 WeakPolarHBondContact O-CB 3.27Å; V2-T71 PolarHBondContact O-OG1 3.21Å; I55-T71 WeakPolarHBondContact CA-O 3.42Å; T56-T71 PolarHBondContact N-O 2.87Å; T56-T71 PolarHBondContact O-N 3.06Å; T71-K73 WeakPolarHBondContact CG2-O 2.95Å; T71-K73 PolarHBondContact OG1-N 2.73Å; T71-K73 VanDerWaalsContact OG1-N 3.14Å; T71-K73 PolarHBondContact OG1-O 2.89Å; T71-A75 HydrophobicContact CG2-CB 3.91Å
72R92.5Very high92.6Very high118 Ų11852.2 Ų52.245%0.44527%0.268SS..SBendtrans-91.8-9.1167.8-166.9177.8-68.9-177.7-1.2112.1D24 V25 E54D24-R72 PolarHBondContact O-NE 2.92Å; D24-R72 PolarHBondContact O-NH1 2.81Å; D24-R72 PolarHBondContact O-NH2 2.79Å; V25-R72 HydrophobicContact CG2-CB 4.31Å; E54-R72 HydrophobicContact CB-CG 4.33Å
73K89.8Confident92.8Very high101 Ų10149 Ų4944%0.43926%0.256SS..SBendtrans-103.8157.8-174.7-64.6-171.3178.3-1760110.4T71 A75T71-K73 WeakPolarHBondContact CG2-O 2.95Å; T71-K73 PolarHBondContact OG1-N 2.73Å; T71-K73 VanDerWaalsContact OG1-N 3.14Å; T71-K73 PolarHBondContact OG1-O 2.89Å; K73-A75 PolarHBondContact O-N 2.97Å
74N88.1Confident93.2Very high161 Ų16144.2 Ų44.286%0.86123%0.23SC*.  trans-64.197.7166.3-1700.7000109.4M1M1-N74 PolarHBondContact N-O 2.84Å
75A87.8Confident93.5Very high11 Ų1142.5 Ų42.59%0.09122%0.223CC..  trans-105153.918000000110.5T71 K73 V77T71-A75 HydrophobicContact CG2-CB 3.91Å; K73-A75 PolarHBondContact O-N 2.97Å; A75-V77 PolarHBondContact O-N 2.92Å
76N91.7Very high93.5Very high85 Ų8547.5 Ų47.546%0.45525%0.245SC..  trans-72.996.2170.9-177.6-15.7000108.3M1 A78 M79 V80M1-N76 HydrophobicContact CG-CB 4.23Å; N76-A78 PolarHBondContact O-N 2.87Å; N76-A78 WeakPolarHBondContact OD1-CB 3.34Å; N76-A78 PolarHBondContact OD1-N 2.71Å; N76-A78 VanDerWaalsContact OD1-N 3.13Å; N76-M79 HydrophobicContact CB-CB 4.03Å; N76-M79 WeakPolarHBondContact O-CB 3.07Å; N76-M79 PolarHBondContact O-N 3Å; N76-M79 VanDerWaalsContact O-N 3.12Å; N76-M79 PolarHBondContact OD1-N 2.97Å; N76-V80 PolarHBondContact O-N 3.46Å
77V91.7Very high93.5Very high45 Ų4547.4 Ų47.427%0.27325%0.245SC..Hα-helixtrans-57.8-37.6-179.1179.50000111.4V49 T58 A75 M79 V80 L81V49-V77 HydrophobicContact CG1-CG1 4.43Å; V49-V77 HydrophobicContact CG2-CG1 3.4Å; T58-V77 HydrophobicContact CG2-CG1 3.87Å; A75-V77 PolarHBondContact O-N 2.92Å; V77-M79 VanDerWaalsContact C-N 3.28Å; V77-M79 PolarHBondContact O-N 2.95Å; V77-V80 PolarHBondContact O-N 2.87Å; V77-V80 VanDerWaalsContact O-N 3.1Å; V77-L81 HydrophobicContact CG1-CD1 4.01Å; V77-L81 HydrophobicContact CG1-CG 4.29Å; V77-L81 WeakPolarHBondContact O-CG 3.4Å; V77-L81 PolarHBondContact O-N 3Å
78A91.7Very high93.4Very high66 Ų6647.6 Ų47.655%0.54525%0.246SC..Hα-helixtrans-62.2-37.1178.900000112N76 A82N76-A78 PolarHBondContact O-N 2.87Å; N76-A78 WeakPolarHBondContact OD1-CB 3.34Å; N76-A78 PolarHBondContact OD1-N 2.71Å; N76-A78 VanDerWaalsContact OD1-N 3.13Å; A78-A82 WeakPolarHBondContact O-CB 3.23Å; A78-A82 PolarHBondContact O-N 2.85Å
79M91.9Very high93.2Very high54 Ų5451.1 Ų51.127%0.26626%0.264SS..Hα-helixtrans-66-42.8173.2-175.4-171.877.900111.6M1 N76 V77 A82 F83 P123M1-M79 HydrophobicContact CG-CE 3.94Å; M1-M79 HydrophobicContact CG-SD 4.26Å; M1-M79 HydrophobicContact SD-SD 4.22Å; N76-M79 HydrophobicContact CB-CB 4.03Å; N76-M79 WeakPolarHBondContact O-CB 3.07Å; N76-M79 PolarHBondContact O-N 3Å; N76-M79 VanDerWaalsContact O-N 3.12Å; N76-M79 PolarHBondContact OD1-N 2.97Å; V77-M79 VanDerWaalsContact C-N 3.28Å; V77-M79 PolarHBondContact O-N 2.95Å; M79-A82 PolarHBondContact O-N 2.99Å; M79-F83 WeakPolarHBondContact O-CB 3.4Å; M79-F83 PolarHBondContact O-N 3.28Å; M79-P123 HydrophobicContact CE-CG 4.5Å
80V94.5Very high92.9Very high4 Ų451.1 Ų51.12%0.02426%0.264CS..Hα-helixtrans-63.3-43.4177.5179.70000110.8V3 T58 C69 N76 V77 F83 L84V3-V80 HydrophobicContact CG2-CG1 4.18Å; V3-V80 HydrophobicContact CG2-CG2 3.85Å; T58-V80 HydrophobicContact CG2-CB 4.19Å; T58-V80 HydrophobicContact CG2-CG1 3.83Å; C69-V80 HydrophobicContact CB-CG1 3.43Å; C69-V80 VanDerWaalsContact CB-CG1 3.43Å; N76-V80 PolarHBondContact O-N 3.46Å; V77-V80 PolarHBondContact O-N 2.87Å; V77-V80 VanDerWaalsContact O-N 3.1Å; V80-F83 WeakPolarHBondContact O-CB 3.29Å; V80-F83 PolarHBondContact O-N 3.48Å; V80-L84 HydrophobicContact CG1-CD1 4.39Å; V80-L84 WeakPolarHBondContact O-CG 3.41Å; V80-L84 PolarHBondContact O-N 2.63Å
81L93.7Very high92.8Very high33 Ų3351.1 Ų51.117%0.17326%0.264CS..Hα-helixtrans-61.6-48174.9-73.4169000111.7P48 T58 V60 V77 F83 L84 Y85P48-L81 HydrophobicContact CB-CD2 3.8Å; P48-L81 HydrophobicContact CG-CD1 3.99Å; P48-L81 HydrophobicContact CG-CD2 4.01Å; T58-L81 HydrophobicContact CG2-CD2 3.48Å; T58-L81 VanDerWaalsContact CG2-CD2 3.48Å; T58-L81 HydrophobicContact CG2-CG 3.58Å; V60-L81 HydrophobicContact CG2-CD2 4.17Å; V77-L81 HydrophobicContact CG1-CD1 4.01Å; V77-L81 HydrophobicContact CG1-CG 4.29Å; V77-L81 WeakPolarHBondContact O-CG 3.4Å; V77-L81 PolarHBondContact O-N 3Å; L81-F83 VanDerWaalsContact C-N 3.27Å; L81-F83 PolarHBondContact O-N 3.23Å; L81-L84 PolarHBondContact O-N 3.31Å; L81-Y85 WeakPolarHBondContact O-CD2 3.01Å; L81-Y85 PolarHBondContact O-N 3Å
82A92.7Very high92.6Very high57 Ų5752.8 Ų52.847%0.47127%0.273SS..Hα-helixtrans-59.1-40.2177.300000111.9A78 M79 K86A78-A82 WeakPolarHBondContact O-CB 3.23Å; A78-A82 PolarHBondContact O-N 2.85Å; M79-A82 PolarHBondContact O-N 2.99Å; A82-K86 WeakPolarHBondContact O-CB 3.25Å; A82-K86 WeakPolarHBondContact O-CG 3.41Å; A82-K86 PolarHBondContact O-N 2.96Å
83F95.2Very high92.4Very high8 Ų852.1 Ų52.14%0.03528%0.275CS..Hα-helixtrans-63.2-46.4174169.8-98.2000112.2L6 M79 V80 L81 Y85 K86 L87 I117 M118 P123 T126L6-F83 HydrophobicContact CD1-CE1 3.72Å; L6-F83 HydrophobicContact CD1-CZ 4.38Å; M79-F83 WeakPolarHBondContact O-CB 3.4Å; M79-F83 PolarHBondContact O-N 3.28Å; V80-F83 WeakPolarHBondContact O-CB 3.29Å; V80-F83 PolarHBondContact O-N 3.48Å; L81-F83 VanDerWaalsContact C-N 3.27Å; L81-F83 PolarHBondContact O-N 3.23Å; F83-Y85 PolarHBondContact O-N 3.33Å; F83-K86 CarbonylContact O-C 3.54Å; F83-K86 WeakPolarHBondContact O-CA 3.45Å; F83-K86 WeakPolarHBondContact O-CB 3.4Å; F83-K86 PolarHBondContact O-N 3.49Å; F83-K86 VanDerWaalsContact O-N 3.08Å; F83-L87 HydrophobicContact CE1-CD2 4.16Å; F83-L87 HydrophobicContact CZ-CD2 4.3Å; F83-L87 WeakPolarHBondContact O-CB 3.44Å; F83-L87 PolarHBondContact O-N 2.83Å; F83-I117 HydrophobicContact CE2-CB 4.36Å; F83-I117 HydrophobicContact CE2-CD1 3.93Å; F83-I117 HydrophobicContact CE2-CG1 4.05Å; F83-I117 HydrophobicContact CZ-CD1 3.63Å; F83-I117 HydrophobicContact CZ-CG1 3.98Å; F83-M118 HydrophobicContact CD1-CE 3.86Å; F83-M118 HydrophobicContact CD2-CE 4.4Å; F83-M118 HydrophobicContact CE1-CE 3.41Å; F83-M118 VanDerWaalsContact CE1-CE 3.41Å; F83-M118 HydrophobicContact CE2-CE 3.99Å; F83-M118 HydrophobicContact CG-CE 4.33Å; F83-M118 HydrophobicContact CZ-CE 3.47Å; F83-M118 VanDerWaalsContact CZ-CE 3.47Å; F83-P123 HydrophobicContact CB-CG 4.12Å; F83-P123 HydrophobicContact CD2-CB 3.67Å; F83-P123 HydrophobicContact CD2-CG 3.78Å; F83-P123 HydrophobicContact CE2-CB 4.17Å; F83-P123 HydrophobicContact CE2-CG 4.41Å; F83-P123 HydrophobicContact CG-CB 4.31Å; F83-P123 HydrophobicContact CG-CG 3.93Å; F83-T126 HydrophobicContact CD2-CG2 3.97Å; F83-T126 HydrophobicContact CE2-CG2 4.08Å
84L96Very high92.3Very high0 Ų047.7 Ų47.70%026%0.255CS..Hα-helixtrans-59.8-43.8178.6-73.3176.7000112.1L6 T58 V60 L67 V80 L81 K86 L87 V88L6-L84 HydrophobicContact CD1-CD2 4.37Å; T58-L84 HydrophobicContact CG2-CD1 4.38Å; V60-L84 HydrophobicContact CB-CB 4.26Å; V60-L84 HydrophobicContact CG2-CB 3.71Å; V60-L84 HydrophobicContact CG2-CD1 4.04Å; L67-L84 HydrophobicContact CB-CD2 3.91Å; V80-L84 HydrophobicContact CG1-CD1 4.39Å; V80-L84 WeakPolarHBondContact O-CG 3.41Å; V80-L84 PolarHBondContact O-N 2.63Å; L81-L84 PolarHBondContact O-N 3.31Å; L84-K86 VanDerWaalsContact C-N 3.32Å; L84-K86 PolarHBondContact O-N 3.19Å; L84-L87 WeakPolarHBondContact O-CB 3.18Å; L84-L87 PolarHBondContact O-N 2.71Å; L84-V88 WeakPolarHBondContact O-CG2 2.88Å; L84-V88 PolarHBondContact O-N 3.36Å; L84-V88 VanDerWaalsContact O-N 3.07Å
85Y94.7Very high92.4Very high137 Ų13740.5 Ų40.554%0.53722%0.216SC..Hα-helixtrans-64.4-36173.9-75.7-68.3000112.6V60 L81 F83 N89V60-Y85 HydrophobicContact CG1-CD1 4.06Å; V60-Y85 HydrophobicContact CG1-CE1 3.63Å; V60-Y85 HydrophobicContact CG2-CD2 4.22Å; V60-Y85 HydrophobicContact CG2-CE1 4.26Å; V60-Y85 HydrophobicContact CG2-CE2 3.87Å; L81-Y85 WeakPolarHBondContact O-CD2 3.01Å; L81-Y85 PolarHBondContact O-N 3Å; F83-Y85 PolarHBondContact O-N 3.33Å; Y85-N89 PolarHBondContact O-N 2.96Å; Y85-N89 PolarHBondContact O-ND2 3.05Å
86K93.1Very high92.2Very high108 Ų10842.5 Ų42.547%0.4724%0.238SC..Hα-helixtrans-66.6-40173.9-80.4-73.6179.3-179.90112.1A82 F83 L84 V88 N89 I90A82-K86 WeakPolarHBondContact O-CB 3.25Å; A82-K86 WeakPolarHBondContact O-CG 3.41Å; A82-K86 PolarHBondContact O-N 2.96Å; F83-K86 CarbonylContact O-C 3.54Å; F83-K86 WeakPolarHBondContact O-CA 3.45Å; F83-K86 WeakPolarHBondContact O-CB 3.4Å; F83-K86 PolarHBondContact O-N 3.49Å; F83-K86 VanDerWaalsContact O-N 3.08Å; L84-K86 VanDerWaalsContact C-N 3.32Å; L84-K86 PolarHBondContact O-N 3.19Å; K86-V88 PolarHBondContact O-N 2.99Å; K86-N89 PolarHBondContact O-N 3.42Å; K86-N89 VanDerWaalsContact O-N 3.17Å; K86-I90 WeakPolarHBondContact O-CG1 3.38Å; K86-I90 PolarHBondContact O-N 3.5Å
87L95.4Very high91.9Very high0 Ų044 Ų440%024%0.242CC..Hα-helixtrans-61.2-42.5176.3179.954.1000112L6 L67 F83 L84 N89 I90 F91 L114 I117L6-L87 HydrophobicContact CD1-CD2 3.54Å; L6-L87 HydrophobicContact CD2-CD2 4.37Å; L67-L87 HydrophobicContact CD2-CD2 3.98Å; L67-L87 HydrophobicContact CD2-CG 4.09Å; F83-L87 HydrophobicContact CE1-CD2 4.16Å; F83-L87 HydrophobicContact CZ-CD2 4.3Å; F83-L87 WeakPolarHBondContact O-CB 3.44Å; F83-L87 PolarHBondContact O-N 2.83Å; L84-L87 WeakPolarHBondContact O-CB 3.18Å; L84-L87 PolarHBondContact O-N 2.71Å; L87-N89 VanDerWaalsContact C-N 3.33Å; L87-N89 PolarHBondContact O-N 2.69Å; L87-I90 PolarHBondContact O-N 2.8Å; L87-F91 HydrophobicContact CD1-CD2 3.99Å; L87-F91 HydrophobicContact CD1-CE1 4.05Å; L87-F91 HydrophobicContact CD1-CE2 3.41Å; L87-F91 VanDerWaalsContact CD1-CE2 3.41Å; L87-F91 HydrophobicContact CD1-CZ 3.44Å; L87-F91 VanDerWaalsContact CD1-CZ 3.44Å; L87-F91 HydrophobicContact CD2-CE2 4.04Å; L87-F91 HydrophobicContact CD2-CZ 4.46Å; L87-F91 HydrophobicContact CG-CD2 4.01Å; L87-F91 HydrophobicContact CG-CE2 3.48Å; L87-F91 VanDerWaalsContact CG-CE2 3.48Å; L87-F91 HydrophobicContact CG-CZ 4.02Å; L87-F91 WeakPolarHBondContact O-CD2 3.32Å; L87-F91 PolarHBondContact O-N 3.3Å; L87-L114 HydrophobicContact CD1-CD2 4.28Å; L87-L114 HydrophobicContact CD2-CD2 4.03Å; L87-I117 HydrophobicContact CD1-CD1 3.38Å; L87-I117 HydrophobicContact CD2-CD1 4.42Å; L87-I117 HydrophobicContact CG-CD1 4.39Å
88V95.2Very high91.9Very high4 Ų441.9 Ų41.92%0.02423%0.229CC..Hα-helixtrans-56.7-46.8172.6172.10000111.2Y62 L67 L84 K86 I90 F91 L92 F98Y62-V88 HydrophobicContact CD1-CG1 4.14Å; Y62-V88 HydrophobicContact CD2-CG1 3.52Å; Y62-V88 HydrophobicContact CE1-CG1 4.32Å; Y62-V88 HydrophobicContact CE2-CG1 3.74Å; Y62-V88 HydrophobicContact CG-CG1 3.73Å; L67-V88 HydrophobicContact CD1-CG2 4.03Å; L67-V88 HydrophobicContact CD2-CG2 3.91Å; L84-V88 WeakPolarHBondContact O-CG2 2.88Å; L84-V88 PolarHBondContact O-N 3.36Å; L84-V88 VanDerWaalsContact O-N 3.07Å; K86-V88 PolarHBondContact O-N 2.99Å; V88-I90 PolarHBondContact O-N 2.87Å; V88-F91 PolarHBondContact O-N 3.45Å; V88-L92 HydrophobicContact CG1-CD1 4.01Å; V88-L92 WeakPolarHBondContact O-CG 3.13Å; V88-L92 PolarHBondContact O-N 3.04Å; V88-F98 HydrophobicContact CG1-CD1 4.06Å; V88-F98 HydrophobicContact CG1-CE1 4.47Å; V88-F98 HydrophobicContact CG2-CD1 4.44Å; V88-F98 HydrophobicContact CG2-CE1 4.03Å
89N92.4Very high91.9Very high73 Ų7342.8 Ų42.839%0.3922%0.222SC..Hα-helixtrans-63.7-39.6178.6-66.9-33.5000112.5Y85 K86 L87 F91 L92 E93Y85-N89 PolarHBondContact O-N 2.96Å; Y85-N89 PolarHBondContact O-ND2 3.05Å; K86-N89 PolarHBondContact O-N 3.42Å; K86-N89 VanDerWaalsContact O-N 3.17Å; L87-N89 VanDerWaalsContact C-N 3.33Å; L87-N89 PolarHBondContact O-N 2.69Å; N89-F91 VanDerWaalsContact C-N 3.35Å; N89-F91 PolarHBondContact O-N 2.67Å; N89-L92 PolarHBondContact O-N 2.86Å; N89-E93 WeakPolarHBondContact O-CG 3.31Å; N89-E93 PolarHBondContact O-N 3.05Å
90I92.3Very high91.8Very high1 Ų143 Ų431%0.00522%0.223CC..Hα-helixtrans-59.6-47.3175.6-68.2165.1000110K86 L87 V88 L92 E93 Y94 L113 I117 T126 L131K86-I90 WeakPolarHBondContact O-CG1 3.38Å; K86-I90 PolarHBondContact O-N 3.5Å; L87-I90 PolarHBondContact O-N 2.8Å; V88-I90 PolarHBondContact O-N 2.87Å; I90-L92 PolarHBondContact O-N 3.44Å; I90-E93 PolarHBondContact O-N 3.29Å; I90-Y94 HydrophobicContact CG2-CD2 3.91Å; I90-Y94 HydrophobicContact CG2-CE2 4.19Å; I90-Y94 WeakPolarHBondContact O-CD2 3.39Å; I90-Y94 PolarHBondContact O-N 2.99Å; I90-L113 HydrophobicContact CG2-CD1 4.47Å; I90-L113 HydrophobicContact CG2-CD2 3.79Å; I90-I117 HydrophobicContact CD1-CG2 4.12Å; I90-T126 HydrophobicContact CD1-CG2 4.32Å; I90-L131 HydrophobicContact CD1-CD1 3.89Å; I90-L131 HydrophobicContact CG1-CD1 4.3Å; I90-L131 HydrophobicContact CG2-CD1 4Å
91F93.3Very high91.6Very high0 Ų048.3 Ų48.30%025%0.247CC..Hα-helixtrans-63.7-40.6177.8-67.9-41.7000112.8I8 L67 L87 V88 N89 E93 Y94 F95 F98 T110 L113 L114I8-F91 HydrophobicContact CD1-CE2 3.66Å; I8-F91 HydrophobicContact CD1-CZ 4.03Å; L67-F91 HydrophobicContact CD2-CE2 4.41Å; L87-F91 HydrophobicContact CD1-CD2 3.99Å; L87-F91 HydrophobicContact CD1-CE1 4.05Å; L87-F91 HydrophobicContact CD1-CE2 3.41Å; L87-F91 VanDerWaalsContact CD1-CE2 3.41Å; L87-F91 HydrophobicContact CD1-CZ 3.44Å; L87-F91 VanDerWaalsContact CD1-CZ 3.44Å; L87-F91 HydrophobicContact CD2-CE2 4.04Å; L87-F91 HydrophobicContact CD2-CZ 4.46Å; L87-F91 HydrophobicContact CG-CD2 4.01Å; L87-F91 HydrophobicContact CG-CE2 3.48Å; L87-F91 VanDerWaalsContact CG-CE2 3.48Å; L87-F91 HydrophobicContact CG-CZ 4.02Å; L87-F91 WeakPolarHBondContact O-CD2 3.32Å; L87-F91 PolarHBondContact O-N 3.3Å; V88-F91 PolarHBondContact O-N 3.45Å; N89-F91 VanDerWaalsContact C-N 3.35Å; N89-F91 PolarHBondContact O-N 2.67Å; F91-E93 VanDerWaalsContact C-N 3.31Å; F91-E93 PolarHBondContact O-N 3.31Å; F91-Y94 PolarHBondContact O-N 3.32Å; F91-F95 HydrophobicContact CB-CD2 4.02Å; F91-F95 HydrophobicContact CB-CE2 4.12Å; F91-F95 HydrophobicContact CD1-CD2 4.17Å; F91-F95 AromaticContact CD1-CE2 3.41Å; F91-F95 HydrophobicContact CD1-CE2 3.41Å; F91-F95 VanDerWaalsContact CD1-CE2 3.41Å; F91-F95 AromaticContact CD1-CZ 3.96Å; F91-F95 HydrophobicContact CD1-CZ 3.96Å; F91-F95 HydrophobicContact CE1-CE2 4.1Å; F91-F95 HydrophobicContact CE1-CZ 4.42Å; F91-F95 HydrophobicContact CG-CD2 4.42Å; F91-F95 HydrophobicContact CG-CE2 4.02Å; F91-F95 WeakPolarHBondContact O-CB 3.49Å; F91-F95 PolarHBondContact O-N 3.1Å; F91-F98 HydrophobicContact CB-CB 4.39Å; F91-F98 HydrophobicContact CB-CD2 3.47Å; F91-F98 VanDerWaalsContact CB-CD2 3.47Å; F91-F98 HydrophobicContact CB-CE2 3.84Å; F91-F98 HydrophobicContact CB-CG 3.92Å; F91-F98 AromaticContact CD2-CD2 3.85Å; F91-F98 HydrophobicContact CD2-CD2 3.85Å; F91-F98 HydrophobicContact CD2-CE1 4.24Å; F91-F98 AromaticContact CD2-CE2 3.24Å; F91-F98 HydrophobicContact CD2-CE2 3.24Å; F91-F98 AromaticContact CD2-CZ 3.49Å; F91-F98 HydrophobicContact CD2-CZ 3.49Å; F91-F98 VanDerWaalsContact CD2-CZ 3.49Å; F91-F98 AromaticContact CE2-CE2 3.92Å; F91-F98 HydrophobicContact CE2-CE2 3.92Å; F91-F98 HydrophobicContact CE2-CZ 4.04Å; F91-F98 AromaticContact CG-CD2 3.92Å; F91-F98 HydrophobicContact CG-CD2 3.92Å; F91-F98 AromaticContact CG-CE2 3.74Å; F91-F98 HydrophobicContact CG-CE2 3.74Å; F91-F98 HydrophobicContact CG-CZ 4.38Å; F91-T110 HydrophobicContact CE1-CG2 3.71Å; F91-T110 HydrophobicContact CZ-CG2 3.7Å; F91-L113 HydrophobicContact CD1-CD1 3.85Å; F91-L113 HydrophobicContact CE1-CB 4.34Å; F91-L113 HydrophobicContact CE1-CD1 3.76Å; F91-L114 HydrophobicContact CZ-CD2 4.37Å
92L91.3Very high91.3Very high42 Ų4247.2 Ų47.222%0.2224%0.242CC..Hα-helixtrans-60.4-40.3174.2-70.9167000112Y62 V88 N89 I90 G96 F98Y62-L92 HydrophobicContact CE1-CD2 4.25Å; Y62-L92 HydrophobicContact CE2-CD1 4.41Å; Y62-L92 WeakPolarHBondContact OH-CD1 3.37Å; V88-L92 HydrophobicContact CG1-CD1 4.01Å; V88-L92 WeakPolarHBondContact O-CG 3.13Å; V88-L92 PolarHBondContact O-N 3.04Å; N89-L92 PolarHBondContact O-N 2.86Å; I90-L92 PolarHBondContact O-N 3.44Å; L92-G96 CarbonylContact O-C 3.54Å; L92-G96 WeakPolarHBondContact O-CA 3.09Å; L92-G96 PolarHBondContact O-N 3.14Å; L92-F98 HydrophobicContact CD2-CB 3.63Å; L92-F98 HydrophobicContact CG-CB 3.98Å
93E88Confident91.2Very high104 Ų10444.7 Ų44.749%0.48622%0.221SC..Hα-helixtrans-73-29.5178.6-71.5177.7-157.200113.3N89 I90 F91 T128 K141N89-E93 WeakPolarHBondContact O-CG 3.31Å; N89-E93 PolarHBondContact O-N 3.05Å; I90-E93 PolarHBondContact O-N 3.29Å; F91-E93 VanDerWaalsContact C-N 3.31Å; F91-E93 PolarHBondContact O-N 3.31Å; E93-T128 HydrophobicContact CB-CG2 3.71Å; E93-T128 WeakPolarHBondContact OE2-CB 3.14Å; E93-T128 WeakPolarHBondContact OE2-CG2 3.47Å; E93-T128 PolarHBondContact OE2-OG1 2.93Å; E93-K141 WeakPolarHBondContact O-CE 3.26Å; E93-K141 PolarHBondContact O-NZ 3.28Å
94Y87.9Confident91Very high8 Ų851.6 Ų51.63%0.03125%0.247CC..Hα-helixtrans-85.9-31176.9-94.2-91.9000114.5I90 F91 I109 L113 T128 L131 Q132 I135 S139 K141I90-Y94 HydrophobicContact CG2-CD2 3.91Å; I90-Y94 HydrophobicContact CG2-CE2 4.19Å; I90-Y94 WeakPolarHBondContact O-CD2 3.39Å; I90-Y94 PolarHBondContact O-N 2.99Å; F91-Y94 PolarHBondContact O-N 3.32Å; Y94-I109 HydrophobicContact CD1-CG2 4.38Å; Y94-L113 HydrophobicContact CD1-CD1 4.42Å; Y94-L113 HydrophobicContact CD2-CD1 4.31Å; Y94-L113 HydrophobicContact CD2-CD2 3.97Å; Y94-L113 HydrophobicContact CE1-CD2 4.33Å; Y94-L113 HydrophobicContact CE2-CD2 3.62Å; Y94-L113 HydrophobicContact CG-CD1 4.13Å; Y94-L113 HydrophobicContact CG-CD2 4.42Å; Y94-T128 HydrophobicContact CD2-CG2 3.67Å; Y94-T128 HydrophobicContact CE2-CG2 3.51Å; Y94-L131 HydrophobicContact CE2-CB 4.18Å; Y94-L131 WeakPolarHBondContact OH-CB 3.39Å; Y94-L131 PolarHBondContact OH-O 3.18Å; Y94-L131 VanDerWaalsContact OH-O 3.09Å; Y94-Q132 HydrophobicContact CE1-CG 4.19Å; Y94-Q132 HydrophobicContact CE2-CG 4.13Å; Y94-Q132 WeakPolarHBondContact OH-CA 3.49Å; Y94-Q132 WeakPolarHBondContact OH-CG 3.38Å; Y94-Q132 PolarHBondContact OH-N 3.27Å; Y94-I135 HydrophobicContact CE1-CB 4.44Å; Y94-I135 HydrophobicContact CE1-CD1 4.49Å; Y94-I135 HydrophobicContact CE1-CG2 4.25Å; Y94-S139 VanDerWaalsContact O-CB 3.27Å; Y94-S139 WeakPolarHBondContact O-CB 3.49Å; Y94-S139 PolarHBondContact O-OG 3.37Å; Y94-S139 VanDerWaalsContact O-OG 3.07Å; Y94-K141 WeakPolarHBondContact O-CE 3.24Å; Y94-K141 WeakPolarHBondContact O-CG 3.38Å
95F89.1Confident90.7Very high11 Ų1155.9 Ų55.95%0.04827%0.269CS..Hα-helixtrans-114.9-11.3-174.2-52.2-33000112.7F91 E97 N106 I109 L113F91-F95 HydrophobicContact CB-CD2 4.02Å; F91-F95 HydrophobicContact CB-CE2 4.12Å; F91-F95 HydrophobicContact CD1-CD2 4.17Å; F91-F95 AromaticContact CD1-CE2 3.41Å; F91-F95 HydrophobicContact CD1-CE2 3.41Å; F91-F95 VanDerWaalsContact CD1-CE2 3.41Å; F91-F95 AromaticContact CD1-CZ 3.96Å; F91-F95 HydrophobicContact CD1-CZ 3.96Å; F91-F95 HydrophobicContact CE1-CE2 4.1Å; F91-F95 HydrophobicContact CE1-CZ 4.42Å; F91-F95 HydrophobicContact CG-CD2 4.42Å; F91-F95 HydrophobicContact CG-CE2 4.02Å; F91-F95 WeakPolarHBondContact O-CB 3.49Å; F91-F95 PolarHBondContact O-N 3.1Å; F95-E97 VanDerWaalsContact CB-O 3.26Å; F95-E97 WeakPolarHBondContact CB-O 3.47Å; F95-E97 PolarHBondContact O-N 3.35Å; F95-N106 HydrophobicContact CD1-CB 3.71Å; F95-N106 HydrophobicContact CE1-CB 3.27Å; F95-N106 HydrophobicContact CE2-CB 4.37Å; F95-N106 HydrophobicContact CG-CB 4.46Å; F95-N106 HydrophobicContact CZ-CB 3.65Å; F95-I109 HydrophobicContact CE1-CB 4.4Å; F95-I109 HydrophobicContact CE1-CG2 3.96Å; F95-I109 HydrophobicContact CZ-CG2 4.37Å; F95-L113 HydrophobicContact CE1-CD1 4.49Å; F95-L113 HydrophobicContact CZ-CD1 4Å
96G84.9Confident90.4Very high52 Ų5249.6 Ų49.654%0.53625%0.245SC..SBendtrans81.4-52.7-174.100000111.5L92L92-G96 CarbonylContact O-C 3.54Å; L92-G96 WeakPolarHBondContact O-CA 3.09Å; L92-G96 PolarHBondContact O-N 3.14Å
97E85.7Confident90.4Very high116 Ų11648.8 Ų48.854%0.54224%0.242SC..SBendtrans-116.8151.5173-61.5-170.9170.600110.1F95 S102F95-E97 VanDerWaalsContact CB-O 3.26Å; F95-E97 WeakPolarHBondContact CB-O 3.47Å; F95-E97 PolarHBondContact O-N 3.35Å; E97-S102 WeakPolarHBondContact O-CB 3.39Å; E97-S102 PolarHBondContact O-OG 2.94Å
98F91.1Very high90.2Very high2 Ų252.6 Ų52.61%0.00927%0.265CS..  trans-122.689.4178.8-178.5-127.6000109.7I8 Y62 L65 L67 V88 F91 L92 I103I8-F98 HydrophobicContact CD1-CZ 4.47Å; Y62-F98 HydrophobicContact CD1-CB 4.43Å; Y62-F98 AromaticContact CD1-CD1 3.56Å; Y62-F98 HydrophobicContact CD1-CD1 3.56Å; Y62-F98 HydrophobicContact CD1-CE1 4.32Å; Y62-F98 HydrophobicContact CD1-CG 4.45Å; Y62-F98 HydrophobicContact CE1-CB 4.16Å; Y62-F98 HydrophobicContact CE1-CD1 4.08Å; Y62-F98 HydrophobicContact CG-CD1 4.22Å; L65-F98 HydrophobicContact CD1-CD1 4.27Å; L65-F98 HydrophobicContact CD1-CD2 4.2Å; L65-F98 HydrophobicContact CD1-CE1 3.97Å; L65-F98 HydrophobicContact CD1-CE2 3.9Å; L65-F98 HydrophobicContact CD1-CG 4.38Å; L65-F98 HydrophobicContact CD1-CZ 3.76Å; L67-F98 HydrophobicContact CD1-CE1 3.57Å; L67-F98 HydrophobicContact CD1-CZ 3.84Å; L67-F98 HydrophobicContact CD2-CE1 4.18Å; L67-F98 HydrophobicContact CD2-CZ 4.01Å; L67-F98 HydrophobicContact CG-CE1 4.38Å; L67-F98 HydrophobicContact CG-CZ 4.25Å; V88-F98 HydrophobicContact CG1-CD1 4.06Å; V88-F98 HydrophobicContact CG1-CE1 4.47Å; V88-F98 HydrophobicContact CG2-CD1 4.44Å; V88-F98 HydrophobicContact CG2-CE1 4.03Å; F91-F98 HydrophobicContact CB-CB 4.39Å; F91-F98 HydrophobicContact CB-CD2 3.47Å; F91-F98 VanDerWaalsContact CB-CD2 3.47Å; F91-F98 HydrophobicContact CB-CE2 3.84Å; F91-F98 HydrophobicContact CB-CG 3.92Å; F91-F98 AromaticContact CD2-CD2 3.85Å; F91-F98 HydrophobicContact CD2-CD2 3.85Å; F91-F98 HydrophobicContact CD2-CE1 4.24Å; F91-F98 AromaticContact CD2-CE2 3.24Å; F91-F98 HydrophobicContact CD2-CE2 3.24Å; F91-F98 AromaticContact CD2-CZ 3.49Å; F91-F98 HydrophobicContact CD2-CZ 3.49Å; F91-F98 VanDerWaalsContact CD2-CZ 3.49Å; F91-F98 AromaticContact CE2-CE2 3.92Å; F91-F98 HydrophobicContact CE2-CE2 3.92Å; F91-F98 HydrophobicContact CE2-CZ 4.04Å; F91-F98 AromaticContact CG-CD2 3.92Å; F91-F98 HydrophobicContact CG-CD2 3.92Å; F91-F98 AromaticContact CG-CE2 3.74Å; F91-F98 HydrophobicContact CG-CE2 3.74Å; F91-F98 HydrophobicContact CG-CZ 4.38Å; L92-F98 HydrophobicContact CD2-CB 3.63Å; L92-F98 HydrophobicContact CG-CB 3.98Å; F98-I103 HydrophobicContact CD2-CG1 4.43Å; F98-I103 HydrophobicContact CE2-CD1 3.74Å; F98-I103 HydrophobicContact CE2-CG1 3.92Å; F98-I103 HydrophobicContact CZ-CD1 4.33Å
99E91.3Very high89.9Confident84 Ų8452.6 Ų52.639%0.39327%0.265SS..SBendtrans-138.1177.4178.855.4174.7-166.900111.2E101 S102 I103E99-E101 VanDerWaalsContact C-N 3.27Å; E99-E101 PolarHBondContact O-N 3.48Å; E99-S102 WeakPolarHBondContact CG-OG 3.45Å; E99-S102 PolarHBondContact N-OG 3.06Å; E99-S102 WeakPolarHBondContact O-CB 3.47Å; E99-S102 PolarHBondContact O-N 3.32Å; E99-I103 PolarHBondContact O-N 3.48Å
100E90.7Very high89.9Confident60 Ų6049.1 Ų49.128%0.2825%0.246SC..Hα-helixtrans-58.7-39.9-176.7-179.9178.2167.900112.2L16 L65 I103 R104L16-E100 HydrophobicContact CD1-CB 4.17Å; L16-E100 HydrophobicContact CD1-CG 3.8Å; L16-E100 HydrophobicContact CD2-CG 3.78Å; L16-E100 HydrophobicContact CG-CG 4.46Å; L65-E100 HydrophobicContact CD2-CB 4.32Å; E100-I103 PolarHBondContact O-N 2.93Å; E100-R104 PolarHBondContact O-N 2.89Å; E100-R104 VanDerWaalsContact O-N 3.1Å; E100-R104 IonicContact OE1-CZ 2.73Å; E100-R104 IonicContact OE1-NH2 2.92Å; E100-R104 PolarHBondContact OE1-NH2 3.44Å
101E88.8Confident90Very high114 Ų11451.6 Ų51.653%0.53326%0.256SS..Hα-helixtrans-66.8-41.2179.4-167157.9-165.200111.3E99 I103 R104 D105E99-E101 VanDerWaalsContact C-N 3.27Å; E99-E101 PolarHBondContact O-N 3.48Å; E101-I103 VanDerWaalsContact C-N 3.29Å; E101-I103 PolarHBondContact O-N 3.42Å; E101-R104 PolarHBondContact O-N 3.05Å; E101-D105 WeakPolarHBondContact O-CB 3.29Å; E101-D105 PolarHBondContact O-N 3.2Å
102S88.8Confident89.9Confident11 Ų1154.4 Ų54.48%0.07727%0.269CS..Hα-helixtrans-56.6-41.3175.7-37.20000112.8E97 E99 N106E97-S102 WeakPolarHBondContact O-CB 3.39Å; E97-S102 PolarHBondContact O-OG 2.94Å; E99-S102 WeakPolarHBondContact CG-OG 3.45Å; E99-S102 PolarHBondContact N-OG 3.06Å; E99-S102 WeakPolarHBondContact O-CB 3.47Å; E99-S102 PolarHBondContact O-N 3.32Å; S102-N106 VanDerWaalsContact O-CB 3.31Å; S102-N106 WeakPolarHBondContact O-CB 3.08Å; S102-N106 PolarHBondContact O-N 3.23Å; S102-N106 VanDerWaalsContact O-N 3.1Å; S102-N106 PolarHBondContact O-ND2 3.39Å
103I90.9Very high89.9Confident3 Ų352.4 Ų52.42%0.01526%0.258CS..Hα-helixtrans-71-39.4177.6-62167.7000110.7I8 L16 I17 L65 F98 E99 E100 E101 N106 F107 T110I8-I103 HydrophobicContact CB-CD1 4.46Å; I8-I103 HydrophobicContact CD1-CD1 4.24Å; I8-I103 HydrophobicContact CG2-CD1 3.66Å; L16-I103 HydrophobicContact CD1-CD1 4.08Å; I17-I103 HydrophobicContact CG2-CG2 4.24Å; L65-I103 HydrophobicContact CD1-CD1 3.75Å; L65-I103 HydrophobicContact CD2-CD1 4.44Å; F98-I103 HydrophobicContact CD2-CG1 4.43Å; F98-I103 HydrophobicContact CE2-CD1 3.74Å; F98-I103 HydrophobicContact CE2-CG1 3.92Å; F98-I103 HydrophobicContact CZ-CD1 4.33Å; E99-I103 PolarHBondContact O-N 3.48Å; E100-I103 PolarHBondContact O-N 2.93Å; E101-I103 VanDerWaalsContact C-N 3.29Å; E101-I103 PolarHBondContact O-N 3.42Å; I103-N106 CarbonylContact O-C 3.51Å; I103-F107 WeakPolarHBondContact O-CA 3.45Å; I103-F107 PolarHBondContact O-N 2.82Å; I103-T110 HydrophobicContact CG2-CG2 4.47Å
104R90Very high90.2Very high154 Ų15447.5 Ų47.558%0.58124%0.235SC*.Hα-helixtrans-66.5-44-179.3-169.8-177.2-63.6159.71.2111.3E100 E101E100-R104 PolarHBondContact O-N 2.89Å; E100-R104 VanDerWaalsContact O-N 3.1Å; E100-R104 IonicContact OE1-CZ 2.73Å; E100-R104 IonicContact OE1-NH2 2.92Å; E100-R104 PolarHBondContact OE1-NH2 3.44Å; E101-R104 PolarHBondContact O-N 3.05Å
105D89.4Confident90.5Very high89 Ų8950.1 Ų50.148%0.47625%0.25SS..Hα-helixtrans-71.8-32.9-179.8-69.7-7.7000111.8E101E101-D105 WeakPolarHBondContact O-CB 3.29Å; E101-D105 PolarHBondContact O-N 3.2Å
106N89.4Confident90.6Very high5 Ų553.9 Ų53.93%0.02727%0.268CS..THydrogen-bonded Turntrans-109.535.6179.8-57.9-80000112.5F95 S102 I103 V108 I109 T110 S139 H140F95-N106 HydrophobicContact CD1-CB 3.71Å; F95-N106 HydrophobicContact CE1-CB 3.27Å; F95-N106 HydrophobicContact CE2-CB 4.37Å; F95-N106 HydrophobicContact CG-CB 4.46Å; F95-N106 HydrophobicContact CZ-CB 3.65Å; S102-N106 VanDerWaalsContact O-CB 3.31Å; S102-N106 WeakPolarHBondContact O-CB 3.08Å; S102-N106 PolarHBondContact O-N 3.23Å; S102-N106 VanDerWaalsContact O-N 3.1Å; S102-N106 PolarHBondContact O-ND2 3.39Å; I103-N106 CarbonylContact O-C 3.51Å; N106-V108 PolarHBondContact O-N 2.91Å; N106-I109 HydrophobicContact CB-CB 4.32Å; N106-I109 HydrophobicContact CB-CD1 4.44Å; N106-I109 PolarHBondContact O-N 3.17Å; N106-T110 WeakPolarHBondContact O-CB 3.37Å; N106-T110 PolarHBondContact O-N 2.88Å; N106-T110 PolarHBondContact O-OG1 2.68Å; N106-S139 WeakPolarHBondContact OD1-CA 3.39Å; N106-H140 PolarHBondContact OD1-N 3.23Å
107F91.7Very high90.9Very high92 Ų9251.4 Ų51.440%0.40424%0.242SC..Hα-helixtrans-58.6-43-171.7-175.6-101.5000113.5I17 I103 T110 Y111I17-F107 HydrophobicContact CD1-CD2 4.45Å; I17-F107 HydrophobicContact CD1-CE2 4.37Å; I103-F107 WeakPolarHBondContact O-CA 3.45Å; I103-F107 PolarHBondContact O-N 2.82Å; F107-T110 PolarHBondContact O-N 2.86Å; F107-Y111 HydrophobicContact CD1-CD2 4.28Å; F107-Y111 HydrophobicContact CD1-CE2 4.19Å; F107-Y111 HydrophobicContact CE1-CD2 4.04Å; F107-Y111 AromaticContact CE1-CE2 3.54Å; F107-Y111 HydrophobicContact CE1-CE2 3.54Å; F107-Y111 AromaticContact CE2-CE2 3.99Å; F107-Y111 HydrophobicContact CE2-CE2 3.99Å; F107-Y111 HydrophobicContact CZ-CD2 4.33Å; F107-Y111 AromaticContact CZ-CE2 3.46Å; F107-Y111 HydrophobicContact CZ-CE2 3.46Å; F107-Y111 VanDerWaalsContact CZ-CE2 3.46Å; F107-Y111 PolarHBondContact O-N 3.14Å
108V91.1Very high91.3Very high79 Ų7946 Ų4648%0.47922%0.217SC..Hα-helixtrans-67.2-48179.5-177.50000110.6N106 T110 Y111 E112N106-V108 PolarHBondContact O-N 2.91Å; V108-T110 PolarHBondContact O-N 2.81Å; V108-Y111 PolarHBondContact O-N 3.3Å; V108-E112 PolarHBondContact O-N 2.97Å
109I90.5Very high91.3Very high5 Ų551.1 Ų51.13%0.02624%0.244CC..Hα-helixtrans-59.6-36.9177.7-59.4176.5000110.9Y94 F95 N106 Y111 E112 L113 I135 Q137Y94-I109 HydrophobicContact CD1-CG2 4.38Å; F95-I109 HydrophobicContact CE1-CB 4.4Å; F95-I109 HydrophobicContact CE1-CG2 3.96Å; F95-I109 HydrophobicContact CZ-CG2 4.37Å; N106-I109 HydrophobicContact CB-CB 4.32Å; N106-I109 HydrophobicContact CB-CD1 4.44Å; N106-I109 PolarHBondContact O-N 3.17Å; I109-Y111 VanDerWaalsContact C-N 3.33Å; I109-Y111 PolarHBondContact O-N 2.84Å; I109-E112 PolarHBondContact O-N 2.94Å; I109-L113 HydrophobicContact CG2-CD1 4.04Å; I109-L113 HydrophobicContact CG2-CG 4.34Å; I109-L113 WeakPolarHBondContact O-CB 3.47Å; I109-L113 VanDerWaalsContact O-CG 3.32Å; I109-L113 WeakPolarHBondContact O-CG 3.41Å; I109-L113 PolarHBondContact O-N 3.07Å; I109-I135 HydrophobicContact CG2-CG2 4.19Å; I109-Q137 HydrophobicContact CD1-CB 4.02Å; I109-Q137 HydrophobicContact CG1-CB 3.8Å
110T92.5Very high91.3Very high0 Ų052.3 Ų52.30%025%0.249CC..Hα-helixtrans-62.1-41.2176.8-53.30000111.1I17 F91 I103 N106 F107 V108 L113 L114I17-T110 HydrophobicContact CD1-CG2 3.68Å; I17-T110 HydrophobicContact CG2-CG2 4.3Å; F91-T110 HydrophobicContact CE1-CG2 3.71Å; F91-T110 HydrophobicContact CZ-CG2 3.7Å; I103-T110 HydrophobicContact CG2-CG2 4.47Å; N106-T110 WeakPolarHBondContact O-CB 3.37Å; N106-T110 PolarHBondContact O-N 2.88Å; N106-T110 PolarHBondContact O-OG1 2.68Å; F107-T110 PolarHBondContact O-N 2.86Å; V108-T110 PolarHBondContact O-N 2.81Å; T110-L113 PolarHBondContact O-N 2.85Å; T110-L114 VanDerWaalsContact O-CG 3.25Å; T110-L114 WeakPolarHBondContact O-CG 3.44Å; T110-L114 PolarHBondContact O-N 3.18Å
111Y93.3Very high91.3Very high53 Ų5349.5 Ų49.521%0.20824%0.235CC..Hα-helixtrans-67.2-43.1174.1-86.5-68.9000112.9I17 H18 F107 V108 I109 L113 L114 D115I17-Y111 HydrophobicContact CD1-CD1 4.01Å; I17-Y111 HydrophobicContact CD1-CD2 3.45Å; I17-Y111 VanDerWaalsContact CD1-CD2 3.45Å; I17-Y111 HydrophobicContact CD1-CE1 3.92Å; I17-Y111 HydrophobicContact CD1-CE2 3.34Å; I17-Y111 HydrophobicContact CD1-CG 3.79Å; I17-Y111 HydrophobicContact CG1-CD1 4.38Å; I17-Y111 HydrophobicContact CG1-CD2 4.27Å; I17-Y111 HydrophobicContact CG1-CE1 3.82Å; I17-Y111 HydrophobicContact CG1-CE2 3.69Å; I17-Y111 VanDerWaalsContact CG1-CZ 3.44Å; H18-Y111 WeakPolarHBondContact O-CE1 3.46Å; H18-Y111 PolarHBondContact O-OH 2.81Å; F107-Y111 HydrophobicContact CD1-CD2 4.28Å; F107-Y111 HydrophobicContact CD1-CE2 4.19Å; F107-Y111 HydrophobicContact CE1-CD2 4.04Å; F107-Y111 AromaticContact CE1-CE2 3.54Å; F107-Y111 HydrophobicContact CE1-CE2 3.54Å; F107-Y111 AromaticContact CE2-CE2 3.99Å; F107-Y111 HydrophobicContact CE2-CE2 3.99Å; F107-Y111 HydrophobicContact CZ-CD2 4.33Å; F107-Y111 AromaticContact CZ-CE2 3.46Å; F107-Y111 HydrophobicContact CZ-CE2 3.46Å; F107-Y111 VanDerWaalsContact CZ-CE2 3.46Å; F107-Y111 PolarHBondContact O-N 3.14Å; V108-Y111 PolarHBondContact O-N 3.3Å; I109-Y111 VanDerWaalsContact C-N 3.33Å; I109-Y111 PolarHBondContact O-N 2.84Å; Y111-L113 VanDerWaalsContact C-N 3.29Å; Y111-L113 PolarHBondContact O-N 2.94Å; Y111-L114 PolarHBondContact O-N 3.17Å; Y111-D115 PolarHBondContact O-N 3.39Å
112E91.2Very high91.4Very high59 Ų5948.9 Ų48.928%0.27623%0.229SC..Hα-helixtrans-57.8-45.2175.6-68.5-179.7174.500110.5V108 I109 L114 D115 E116 I135 Q137V108-E112 PolarHBondContact O-N 2.97Å; I109-E112 PolarHBondContact O-N 2.94Å; E112-L114 PolarHBondContact O-N 3.49Å; E112-D115 PolarHBondContact O-N 3.13Å; E112-E116 WeakPolarHBondContact O-CG 3.35Å; E112-E116 PolarHBondContact O-N 2.98Å; E112-I135 HydrophobicContact CB-CD1 4.43Å; E112-I135 HydrophobicContact CB-CG1 4.5Å; E112-Q137 PolarHBondContact OE1-NE2 3.14Å
113L92.6Very high91.5Very high0 Ų050 Ų500%024%0.236CC..Hα-helixtrans-57.8-49.9173.7-77.9168.1000112I90 F91 Y94 F95 I109 T110 Y111 D115 E116 I117 L131 I135I90-L113 HydrophobicContact CG2-CD1 4.47Å; I90-L113 HydrophobicContact CG2-CD2 3.79Å; F91-L113 HydrophobicContact CD1-CD1 3.85Å; F91-L113 HydrophobicContact CE1-CB 4.34Å; F91-L113 HydrophobicContact CE1-CD1 3.76Å; Y94-L113 HydrophobicContact CD1-CD1 4.42Å; Y94-L113 HydrophobicContact CD2-CD1 4.31Å; Y94-L113 HydrophobicContact CD2-CD2 3.97Å; Y94-L113 HydrophobicContact CE1-CD2 4.33Å; Y94-L113 HydrophobicContact CE2-CD2 3.62Å; Y94-L113 HydrophobicContact CG-CD1 4.13Å; Y94-L113 HydrophobicContact CG-CD2 4.42Å; F95-L113 HydrophobicContact CE1-CD1 4.49Å; F95-L113 HydrophobicContact CZ-CD1 4Å; I109-L113 HydrophobicContact CG2-CD1 4.04Å; I109-L113 HydrophobicContact CG2-CG 4.34Å; I109-L113 WeakPolarHBondContact O-CB 3.47Å; I109-L113 VanDerWaalsContact O-CG 3.32Å; I109-L113 WeakPolarHBondContact O-CG 3.41Å; I109-L113 PolarHBondContact O-N 3.07Å; T110-L113 PolarHBondContact O-N 2.85Å; Y111-L113 VanDerWaalsContact C-N 3.29Å; Y111-L113 PolarHBondContact O-N 2.94Å; L113-D115 VanDerWaalsContact C-N 3.27Å; L113-D115 PolarHBondContact O-N 2.98Å; L113-E116 PolarHBondContact O-N 3.29Å; L113-I117 WeakPolarHBondContact O-CG1 3.39Å; L113-I117 VanDerWaalsContact O-CG2 3.25Å; L113-I117 WeakPolarHBondContact O-CG2 3.35Å; L113-I117 PolarHBondContact O-N 3.02Å; L113-L131 HydrophobicContact CD2-CD1 4.25Å; L113-I135 HydrophobicContact CB-CD1 4.23Å; L113-I135 HydrophobicContact CD2-CD1 3.21Å; L113-I135 HydrophobicContact CG-CD1 3.49Å; L113-I135 VanDerWaalsContact CG-CD1 3.49Å
114L94.2Very high91.5Very high0 Ų054.9 Ų54.90%026%0.259CS..Hα-helixtrans-61-36.6-179-72.5-179.6000112.6L6 I17 R19 Y21 L87 F91 T110 Y111 E112 I117 M118L6-L114 HydrophobicContact CD1-CD2 4.22Å; L6-L114 HydrophobicContact CD2-CD1 4.19Å; L6-L114 HydrophobicContact CD2-CD2 3.86Å; I17-L114 HydrophobicContact CD1-CD1 4.31Å; I17-L114 HydrophobicContact CG1-CD1 4.36Å; R19-L114 HydrophobicContact CB-CD1 4.07Å; Y21-L114 PolarHBondContact OH-O 2.96Å; Y21-L114 VanDerWaalsContact OH-O 3.13Å; L87-L114 HydrophobicContact CD1-CD2 4.28Å; L87-L114 HydrophobicContact CD2-CD2 4.03Å; F91-L114 HydrophobicContact CZ-CD2 4.37Å; T110-L114 VanDerWaalsContact O-CG 3.25Å; T110-L114 WeakPolarHBondContact O-CG 3.44Å; T110-L114 PolarHBondContact O-N 3.18Å; Y111-L114 PolarHBondContact O-N 3.17Å; E112-L114 PolarHBondContact O-N 3.49Å; L114-I117 HydrophobicContact CD2-CD1 3.99Å; L114-M118 PolarHBondContact O-N 3.47Å
115D92.5Very high91.2Very high64 Ų6450.4 Ų50.434%0.34225%0.248SC..Hα-helixtrans-72.9-37.7178-76.1-25000112.9R19 Y111 E112 L113R19-D115 IonicContact CZ-OD1 3Å; R19-D115 IonicContact CZ-OD2 2.72Å; R19-D115 VanDerWaalsContact CZ-OD2 3.27Å; R19-D115 IonicContact NE-OD1 2.63Å; R19-D115 PolarHBondContact NE-OD1 3.41Å; R19-D115 IonicContact NE-OD2 3.95Å; R19-D115 IonicContact NH1-OD2 3.1Å; R19-D115 IonicContact NH2-OD1 2.62Å; R19-D115 PolarHBondContact NH2-OD1 3.32Å; R19-D115 IonicContact NH2-OD2 3.88Å; R19-D115 PolarHBondContact NH2-OD2 3.49Å; Y111-D115 PolarHBondContact O-N 3.39Å; E112-D115 PolarHBondContact O-N 3.13Å; L113-D115 VanDerWaalsContact C-N 3.27Å; L113-D115 PolarHBondContact O-N 2.98Å
116E91.5Very high91.1Very high90 Ų9048.2 Ų48.242%0.42124%0.238SC..Hα-helixtrans-76.1-31.2178.8-69.7-59142.100113.2E112 L113 L131 I135E112-E116 WeakPolarHBondContact O-CG 3.35Å; E112-E116 PolarHBondContact O-N 2.98Å; L113-E116 PolarHBondContact O-N 3.29Å; E116-L131 HydrophobicContact CB-CD2 3.87Å; E116-I135 HydrophobicContact CG-CG1 4.5Å
117I92.8Very high90.8Very high0 Ų049.1 Ų49.10%024%0.243CC..Hα-helixtrans-84.9-17.7-177.769.6-175.1000113.7F83 L87 I90 L113 L114 P123 Q124 L131F83-I117 HydrophobicContact CE2-CB 4.36Å; F83-I117 HydrophobicContact CE2-CD1 3.93Å; F83-I117 HydrophobicContact CE2-CG1 4.05Å; F83-I117 HydrophobicContact CZ-CD1 3.63Å; F83-I117 HydrophobicContact CZ-CG1 3.98Å; L87-I117 HydrophobicContact CD1-CD1 3.38Å; L87-I117 HydrophobicContact CD2-CD1 4.42Å; L87-I117 HydrophobicContact CG-CD1 4.39Å; I90-I117 HydrophobicContact CD1-CG2 4.12Å; L113-I117 WeakPolarHBondContact O-CG1 3.39Å; L113-I117 VanDerWaalsContact O-CG2 3.25Å; L113-I117 WeakPolarHBondContact O-CG2 3.35Å; L113-I117 PolarHBondContact O-N 3.02Å; L114-I117 HydrophobicContact CD2-CD1 3.99Å; I117-P123 WeakPolarHBondContact O-CA 3.36Å; I117-Q124 PolarHBondContact O-N 3.25Å; I117-L131 HydrophobicContact CG2-CD1 3.57Å; I117-L131 HydrophobicContact CG2-CD2 3.85Å; I117-L131 HydrophobicContact CG2-CG 4.37Å
118M92.8Very high90.4Very high3 Ų345 Ų452%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-145.3118.5-174.9-176.1171.3-67.600112.1V3 Y21 F83 L114 Y122 P123V3-M118 HydrophobicContact CB-CE 4.14Å; V3-M118 HydrophobicContact CB-SD 3.93Å; V3-M118 HydrophobicContact CG1-CE 4.48Å; V3-M118 HydrophobicContact CG1-SD 4.12Å; V3-M118 HydrophobicContact CG2-CE 4.06Å; Y21-M118 HydrophobicContact CD1-CB 4.42Å; Y21-M118 HydrophobicContact CD1-CG 4.06Å; Y21-M118 HydrophobicContact CD1-SD 4.37Å; Y21-M118 HydrophobicContact CD2-CG 4.25Å; Y21-M118 HydrophobicContact CD2-SD 3.48Å; Y21-M118 WeakPolarHBondContact CD2-SD 3.35Å; Y21-M118 HydrophobicContact CE1-CB 3.79Å; Y21-M118 HydrophobicContact CE1-CG 3.88Å; Y21-M118 WeakPolarHBondContact CE1-O 3.2Å; Y21-M118 HydrophobicContact CE1-SD 4.21Å; Y21-M118 HydrophobicContact CE2-CB 4.43Å; Y21-M118 HydrophobicContact CE2-CG 4.08Å; Y21-M118 HydrophobicContact CE2-SD 3.28Å; Y21-M118 WeakPolarHBondContact CE2-SD 3.39Å; Y21-M118 HydrophobicContact CG-CG 4.23Å; Y21-M118 HydrophobicContact CG-SD 4.03Å; F83-M118 HydrophobicContact CD1-CE 3.86Å; F83-M118 HydrophobicContact CD2-CE 4.4Å; F83-M118 HydrophobicContact CE1-CE 3.41Å; F83-M118 VanDerWaalsContact CE1-CE 3.41Å; F83-M118 HydrophobicContact CE2-CE 3.99Å; F83-M118 HydrophobicContact CG-CE 4.33Å; F83-M118 HydrophobicContact CZ-CE 3.47Å; F83-M118 VanDerWaalsContact CZ-CE 3.47Å; L114-M118 PolarHBondContact O-N 3.47Å; M118-Y122 WeakPolarHBondContact CA-O 3.14Å; M118-P123 HydrophobicContact CE-CG 3.94Å
119D91.6Very high89.8Confident109 Ų10944.8 Ų44.858%0.58322%0.218SC*.EExtended strand (participates in β ladder)trans-110.3126.5174.4-177.420.5000110.5G121 Y122 Q124D119-G121 PolarHBondContact O-N 3.43Å; D119-Y122 PolarHBondContact N-O 3.37Å; D119-Y122 WeakPolarHBondContact O-CB 3.37Å; D119-Y122 PolarHBondContact O-N 2.78Å; D119-Q124 HydrophobicContact CB-CG 3.97Å
120F91.4Very high89.2Confident109 Ų10945 Ų4548%0.47822%0.219SC..THydrogen-bonded Turntrans47.530179.6-160.8-125.9000115.5V2 Y21 R22 Y122V2-F120 WeakPolarHBondContact CG1-O 3.36Å; Y21-F120 WeakPolarHBondContact O-CD2 3.25Å; R22-F120 HydrophobicContact CG-CE2 4.46Å; R22-F120 VanDerWaalsContact NH1-CD1 3.3Å; R22-F120 PolarHBondContact NH1-O 3.25Å; F120-Y122 HydrophobicContact CD1-CE2 4.38Å
121G91Very high88.7Confident0 Ų045.1 Ų45.10%022%0.22CC..THydrogen-bonded Turntrans8910.3179.900000115.5V2 V3 D119V2-G121 WeakPolarHBondContact CG1-O 3.5Å; V3-G121 PolarHBondContact N-O 3.01Å; V3-G121 WeakPolarHBondContact O-CA 3.35Å; D119-G121 PolarHBondContact O-N 3.43Å
122Y90.5Very high88Confident101 Ų10144.4 Ų44.440%0.39622%0.218SC..EExtended strand (participates in β ladder)trans-107.3119.4174.6-63.2-83.8000110V2 M118 D119 F120 Q124V2-Y122 HydrophobicContact CG1-CD2 4.13Å; V2-Y122 HydrophobicContact CG1-CE1 4.22Å; V2-Y122 HydrophobicContact CG1-CE2 3.78Å; V2-Y122 HydrophobicContact CG1-CG 4.5Å; V2-Y122 HydrophobicContact CG2-CE1 4.01Å; V2-Y122 HydrophobicContact CG2-CE2 4.48Å; V2-Y122 WeakPolarHBondContact CG2-OH 3.47Å; M118-Y122 WeakPolarHBondContact CA-O 3.14Å; D119-Y122 PolarHBondContact N-O 3.37Å; D119-Y122 WeakPolarHBondContact O-CB 3.37Å; D119-Y122 PolarHBondContact O-N 2.78Å; F120-Y122 HydrophobicContact CD1-CE2 4.38Å; Y122-Q124 PolarHBondContact O-N 3.1Å; Y122-Q124 PolarHBondContact O-NE2 3.22Å
123P91.6Very high87.2Confident36 Ų3643.9 Ų43.923%0.23422%0.216CC..EExtended strand (participates in β ladder)trans-54.1128.1168.7-25.234.3000111M79 F83 I117 M118M79-P123 HydrophobicContact CE-CG 4.5Å; F83-P123 HydrophobicContact CB-CG 4.12Å; F83-P123 HydrophobicContact CD2-CB 3.67Å; F83-P123 HydrophobicContact CD2-CG 3.78Å; F83-P123 HydrophobicContact CE2-CB 4.17Å; F83-P123 HydrophobicContact CE2-CG 4.41Å; F83-P123 HydrophobicContact CG-CB 4.31Å; F83-P123 HydrophobicContact CG-CG 3.93Å; I117-P123 WeakPolarHBondContact O-CA 3.36Å; M118-P123 HydrophobicContact CE-CG 3.94Å
124Q89.1Confident86.2Confident105 Ų10549.7 Ų49.749%0.49124%0.239SC..  trans-100.7-115.9177.4-57.9-55.7-45.800109I117 D119 Y122I117-Q124 PolarHBondContact O-N 3.25Å; D119-Q124 HydrophobicContact CB-CG 3.97Å; Y122-Q124 PolarHBondContact O-N 3.1Å; Y122-Q124 PolarHBondContact O-NE2 3.22Å
125T85.5Confident85.3Confident59 Ų5950.2 Ų50.236%0.36224%0.241SC..  trans-89.4128.3177.9-640000110.2D127 I130T125-D127 HydrophobicContact CG2-CB 4.17Å; T125-I130 HydrophobicContact CG2-CB 3.94Å; T125-I130 HydrophobicContact CG2-CD1 3.73Å; T125-I130 HydrophobicContact CG2-CG1 4.42Å; T125-I130 HydrophobicContact CG2-CG2 3.91Å
126T85.8Confident84.1Confident43 Ų4353.3 Ų53.326%0.26426%0.263SS..  trans-117.720.1177.553.20000112.5F83 I90F83-T126 HydrophobicContact CD2-CG2 3.97Å; F83-T126 HydrophobicContact CE2-CG2 4.08Å; I90-T126 HydrophobicContact CD1-CG2 4.32Å
127D83.1Confident83Confident25 Ų2552.9 Ų52.913%0.13426%0.261CS..  trans-91.1112.4175-172.3-26.1000109.7T125 K129 I130 L131 Q239T125-D127 HydrophobicContact CG2-CB 4.17Å; D127-K129 PolarHBondContact O-N 3.31Å; D127-K129 WeakPolarHBondContact OD1-CB 3.42Å; D127-K129 PolarHBondContact OD1-N 3.06Å; D127-I130 HydrophobicContact CB-CB 4.3Å; D127-I130 HydrophobicContact CB-CD1 3.7Å; D127-I130 HydrophobicContact CB-CG1 3.92Å; D127-I130 WeakPolarHBondContact O-CB 3.5Å; D127-I130 PolarHBondContact O-N 3.27Å; D127-L131 WeakPolarHBondContact O-CG 3.5Å; D127-L131 PolarHBondContact O-N 3.23Å; D127-Q239 PolarHBondContact OD2-NE2 2.81Å
128T84.2Confident81.6Confident5 Ų561.8 Ų61.83%0.03130%0.303CS..Hα-helixtrans-55.3-35.6-179.8-47.40000113.3E93 Y94 I130 L131 Q132E93-T128 HydrophobicContact CB-CG2 3.71Å; E93-T128 WeakPolarHBondContact OE2-CB 3.14Å; E93-T128 WeakPolarHBondContact OE2-CG2 3.47Å; E93-T128 PolarHBondContact OE2-OG1 2.93Å; Y94-T128 HydrophobicContact CD2-CG2 3.67Å; Y94-T128 HydrophobicContact CE2-CG2 3.51Å; T128-I130 PolarHBondContact O-N 2.87Å; T128-L131 PolarHBondContact O-N 3.42Å; T128-Q132 HydrophobicContact CG2-CG 4.4Å; T128-Q132 WeakPolarHBondContact O-CB 3.2Å; T128-Q132 VanDerWaalsContact O-CG 3.25Å; T128-Q132 WeakPolarHBondContact O-CG 3.44Å; T128-Q132 PolarHBondContact O-N 3.26Å
129K78.6Confident80.1Confident74 Ų7462.9 Ų62.932%0.32231%0.31SS..Hα-helixtrans-65.6-32-179.8-67.6-177.1178.5-178.60111.6D127D127-K129 PolarHBondContact O-N 3.31Å; D127-K129 WeakPolarHBondContact OD1-CB 3.42Å; D127-K129 PolarHBondContact OD1-N 3.06Å
130I77.4Confident78.8Confident9 Ų964.5 Ų64.55%0.04631%0.314CS..Hα-helixtrans-77.4-44.7176.4-58.3175.3000110T125 D127 T128 Q132 E133 Y134 V152 S157T125-I130 HydrophobicContact CG2-CB 3.94Å; T125-I130 HydrophobicContact CG2-CD1 3.73Å; T125-I130 HydrophobicContact CG2-CG1 4.42Å; T125-I130 HydrophobicContact CG2-CG2 3.91Å; D127-I130 HydrophobicContact CB-CB 4.3Å; D127-I130 HydrophobicContact CB-CD1 3.7Å; D127-I130 HydrophobicContact CB-CG1 3.92Å; D127-I130 WeakPolarHBondContact O-CB 3.5Å; D127-I130 PolarHBondContact O-N 3.27Å; T128-I130 PolarHBondContact O-N 2.87Å; I130-Q132 PolarHBondContact O-N 3.27Å; I130-E133 WeakPolarHBondContact O-CB 3.44Å; I130-E133 PolarHBondContact O-N 3.38Å; I130-Y134 HydrophobicContact CG2-CD2 4.39Å; I130-Y134 HydrophobicContact CG2-CE2 3.99Å; I130-Y134 WeakPolarHBondContact O-CD2 3.46Å; I130-V152 HydrophobicContact CG2-CG1 4.4Å; I130-V152 HydrophobicContact CG2-CG2 3.68Å; I130-S157 VanDerWaalsContact CD1-OG 3.26Å; I130-S157 WeakPolarHBondContact CD1-OG 3.35Å
131L82.3Confident77.3Confident3 Ų362 Ų622%0.01630%0.303CS..Hα-helixtrans-60.1-33.4178.8-65.1169000111.7I90 Y94 L113 E116 I117 D127 T128 E133 Y134 I135I90-L131 HydrophobicContact CD1-CD1 3.89Å; I90-L131 HydrophobicContact CG1-CD1 4.3Å; I90-L131 HydrophobicContact CG2-CD1 4Å; Y94-L131 HydrophobicContact CE2-CB 4.18Å; Y94-L131 WeakPolarHBondContact OH-CB 3.39Å; Y94-L131 PolarHBondContact OH-O 3.18Å; Y94-L131 VanDerWaalsContact OH-O 3.09Å; L113-L131 HydrophobicContact CD2-CD1 4.25Å; E116-L131 HydrophobicContact CB-CD2 3.87Å; I117-L131 HydrophobicContact CG2-CD1 3.57Å; I117-L131 HydrophobicContact CG2-CD2 3.85Å; I117-L131 HydrophobicContact CG2-CG 4.37Å; D127-L131 WeakPolarHBondContact O-CG 3.5Å; D127-L131 PolarHBondContact O-N 3.23Å; T128-L131 PolarHBondContact O-N 3.42Å; L131-E133 PolarHBondContact O-N 3.19Å; L131-E133 VanDerWaalsContact O-N 3.17Å; L131-Y134 PolarHBondContact O-N 3.23Å; L131-Y134 VanDerWaalsContact O-N 3.07Å; L131-I135 PolarHBondContact O-N 3.11Å
132Q79.3Confident75.5Confident38 Ų3869.9 Ų69.918%0.17834%0.344CS..Hα-helixtrans-64.2-16.3176.3-77.7172.3-2.800113.1Y94 T128 I130 P148Y94-Q132 HydrophobicContact CE1-CG 4.19Å; Y94-Q132 HydrophobicContact CE2-CG 4.13Å; Y94-Q132 WeakPolarHBondContact OH-CA 3.49Å; Y94-Q132 WeakPolarHBondContact OH-CG 3.38Å; Y94-Q132 PolarHBondContact OH-N 3.27Å; T128-Q132 HydrophobicContact CG2-CG 4.4Å; T128-Q132 WeakPolarHBondContact O-CB 3.2Å; T128-Q132 VanDerWaalsContact O-CG 3.25Å; T128-Q132 WeakPolarHBondContact O-CG 3.44Å; T128-Q132 PolarHBondContact O-N 3.26Å; I130-Q132 PolarHBondContact O-N 3.27Å; Q132-P148 HydrophobicContact CB-CB 4.48Å
133E73Confident73.1Confident48 Ų4874 Ų7422%0.22437%0.367CS..Hα-helixtrans-81-30.9173.5-54.9-168.2-173.100112.4I130 L131 P149 A151 V152I130-E133 WeakPolarHBondContact O-CB 3.44Å; I130-E133 PolarHBondContact O-N 3.38Å; L131-E133 PolarHBondContact O-N 3.19Å; L131-E133 VanDerWaalsContact O-N 3.17Å; E133-P149 VanDerWaalsContact CG-O 3.32Å; E133-P149 WeakPolarHBondContact CG-O 3.21Å; E133-A151 PolarHBondContact OE1-N 3.19Å; E133-A151 WeakPolarHBondContact OE2-CA 3.43Å; E133-A151 PolarHBondContact OE2-N 3.39Å; E133-V152 WeakPolarHBondContact OE2-CG2 3.2Å
134Y73Confident70.6Confident123 Ų12378.1 Ų78.148%0.48239%0.391SS..Hα-helixtrans-93-30.2-176.8-68.2-72.8000113.1I130 L131 T136 V152I130-Y134 HydrophobicContact CG2-CD2 4.39Å; I130-Y134 HydrophobicContact CG2-CE2 3.99Å; I130-Y134 WeakPolarHBondContact O-CD2 3.46Å; L131-Y134 PolarHBondContact O-N 3.23Å; L131-Y134 VanDerWaalsContact O-N 3.07Å; Y134-T136 PolarHBondContact O-N 2.9Å; Y134-V152 HydrophobicContact CE2-CB 4.34Å; Y134-V152 HydrophobicContact CE2-CG1 4.3Å; Y134-V152 HydrophobicContact CE2-CG2 3.7Å; Y134-V152 VanDerWaalsContact OH-CB 3.26Å; Y134-V152 WeakPolarHBondContact OH-CB 3.26Å; Y134-V152 VanDerWaalsContact OH-CG1 3.28Å; Y134-V152 WeakPolarHBondContact OH-CG1 3.26Å
135I73.9Confident68.2Low10 Ų1077.8 Ų77.85%0.05141%0.407CS..  trans-93.899.3-178.2-60.3-178.9000108.6Y94 I109 E112 L113 E116 L131 Q137Y94-I135 HydrophobicContact CE1-CB 4.44Å; Y94-I135 HydrophobicContact CE1-CD1 4.49Å; Y94-I135 HydrophobicContact CE1-CG2 4.25Å; I109-I135 HydrophobicContact CG2-CG2 4.19Å; E112-I135 HydrophobicContact CB-CD1 4.43Å; E112-I135 HydrophobicContact CB-CG1 4.5Å; L113-I135 HydrophobicContact CB-CD1 4.23Å; L113-I135 HydrophobicContact CD2-CD1 3.21Å; L113-I135 HydrophobicContact CG-CD1 3.49Å; L113-I135 VanDerWaalsContact CG-CD1 3.49Å; E116-I135 HydrophobicContact CG-CG1 4.5Å; L131-I135 PolarHBondContact O-N 3.11Å; I135-Q137 VanDerWaalsContact C-N 3.33Å
136T67.5Low66.2Low130 Ų13078.8 Ų78.880%0.79841%0.414SS*.  trans-82.4-8.6-175.955.70000113.9Y134Y134-T136 PolarHBondContact O-N 2.9Å
137Q68.5Low64Low80 Ų8088 Ų8837%0.37444%0.444SS..SBendtrans-76134.8179.1-67.1-16610.800111.5I109 E112 I135 S139I109-Q137 HydrophobicContact CD1-CB 4.02Å; I109-Q137 HydrophobicContact CG1-CB 3.8Å; E112-Q137 PolarHBondContact OE1-NE2 3.14Å; I135-Q137 VanDerWaalsContact C-N 3.33Å; Q137-S139 PolarHBondContact O-N 2.99Å
138E64.1Low62.2Low188 Ų18890.7 Ų90.788%0.87946%0.463SS*.PPolyproline II helixtrans-78.4116.8172.1-66.9-173.2171.300109.6
139S61.9Low60.3Low25 Ų2592.5 Ų92.518%0.17548%0.475CS..PPolyproline II helixtrans-65.6142.7173.151.80000111.7Y94 N106 Q137 K141Y94-S139 VanDerWaalsContact O-CB 3.27Å; Y94-S139 WeakPolarHBondContact O-CB 3.49Å; Y94-S139 PolarHBondContact O-OG 3.37Å; Y94-S139 VanDerWaalsContact O-OG 3.07Å; N106-S139 WeakPolarHBondContact OD1-CA 3.39Å; Q137-S139 PolarHBondContact O-N 2.99Å; S139-K141 PolarHBondContact O-N 2.83Å; S139-K141 WeakPolarHBondContact OG-CD 3.36Å; S139-K141 VanDerWaalsContact OG-CE 3.3Å; S139-K141 WeakPolarHBondContact OG-CE 3.32Å; S139-K141 WeakPolarHBondContact OG-CG 3.29Å
140H62.9Low58.8Low144 Ų14493.7 Ų93.767%0.66749%0.488SS*.  trans-67.581.6166-73.7-75.3000109.4N106N106-H140 PolarHBondContact OD1-N 3.23Å
141K60.9Low57.5Low57 Ų5795.1 Ų95.125%0.24850%0.501CS..  trans-92.5134.7171.8-74.9175175.7-1680109.2E93 Y94 S139 E143E93-K141 WeakPolarHBondContact O-CE 3.26Å; E93-K141 PolarHBondContact O-NZ 3.28Å; Y94-K141 WeakPolarHBondContact O-CE 3.24Å; Y94-K141 WeakPolarHBondContact O-CG 3.38Å; S139-K141 PolarHBondContact O-N 2.83Å; S139-K141 WeakPolarHBondContact OG-CD 3.36Å; S139-K141 VanDerWaalsContact OG-CE 3.3Å; S139-K141 WeakPolarHBondContact OG-CE 3.32Å; S139-K141 WeakPolarHBondContact OG-CG 3.29Å; K141-E143 PolarHBondContact O-N 2.89Å
142L52.4Low55.6Low165 Ų16597.5 Ų97.586%0.86452%0.516SS*.SBendtrans-62.4118.3152.3-67.9168.9000106.1V144L142-V144 PolarHBondContact O-N 2.88Å
143E40.1Very low54.3Low188 Ų188102.1 Ų102.188%0.87955%0.547SS*.SBendtrans-31121.1-163.1-62.8-175.8155.100116.4K141K141-E143 PolarHBondContact O-N 2.89Å
144V39.8Very low53.1Low122 Ų122104.1 Ų104.174%0.73956%0.559SS**  -168.8121.7119.5171.10000107.6L142L142-V144 PolarHBondContact O-N 2.88Å
145A37.3Very low52.6Low98 Ų98103.3 Ų103.381%0.8158%0.578SS**PPolyproline II helixtrans-89.8128.2-177.200000113.3
146P43.3Very low52.4Low80 Ų80104 Ų10452%0.51958%0.582SS.*PPolyproline II helixtrans-103.3138.7156.615.53.8000110.9
147R41.1Very low52.5Low235 Ų23599.4 Ų99.489%0.88756%0.555SS**PPolyproline II helixtrans-75.7141.3178.6-69.1176.3177.3174.9-1.1111.1
148P44.2Very low53Low83 Ų8397.5 Ų97.554%0.53955%0.545SS..PPolyproline II helixtrans-68.5134.3178.425.5-31.3000111.6Q132Q132-P148 HydrophobicContact CB-CB 4.48Å
149P43.9Very low53.9Low43 Ų4389.1 Ų89.128%0.27951%0.505SS..  trans-75.1177.4173.7-7.925.4000112.7E133 S160E133-P149 VanDerWaalsContact CG-O 3.32Å; E133-P149 WeakPolarHBondContact CG-O 3.21Å; P149-S160 VanDerWaalsContact CB-OG 3.26Å; P149-S160 WeakPolarHBondContact CB-OG 3.41Å
150V48Very low54.6Low99 Ų9988.9 Ų88.960%0.650%0.504SS*.  trans-110.8119.3-173.1-176.50000111.5S160V150-S160 PolarHBondContact N-OG 3.48Å
151A49.2Very low55.4Low39 Ų3987.8 Ų87.832%0.32250%0.499SS..  trans87119.3145.100000120.2E133E133-A151 PolarHBondContact OE1-N 3.19Å; E133-A151 WeakPolarHBondContact OE2-CA 3.43Å; E133-A151 PolarHBondContact OE2-N 3.39Å
152V44Very low56.4Low53 Ų5391.1 Ų91.132%0.32152%0.519SS..THydrogen-bonded Turntrans-92.30-177.5-1770000114.7I130 E133 Y134I130-V152 HydrophobicContact CG2-CG1 4.4Å; I130-V152 HydrophobicContact CG2-CG2 3.68Å; E133-V152 WeakPolarHBondContact OE2-CG2 3.2Å; Y134-V152 HydrophobicContact CE2-CB 4.34Å; Y134-V152 HydrophobicContact CE2-CG1 4.3Å; Y134-V152 HydrophobicContact CE2-CG2 3.7Å; Y134-V152 VanDerWaalsContact OH-CB 3.26Å; Y134-V152 WeakPolarHBondContact OH-CB 3.26Å; Y134-V152 VanDerWaalsContact OH-CG1 3.28Å; Y134-V152 WeakPolarHBondContact OH-CG1 3.26Å
153T50.9Low58Low134 Ų13484.5 Ų84.582%0.82249%0.486SS*.THydrogen-bonded Turntrans-87.1-8.6177.655.70000114.4
154N48.3Very low60.3Low90 Ų9084.3 Ų84.348%0.48148%0.482SS..SBendtrans-95.6149.7179.6-77.9-16.9000111.6V156N154-V156 PolarHBondContact O-N 2.74Å
155A61.8Low62.8Low107 Ų10781.9 Ų81.988%0.88446%0.46SS*.SBendtrans-59.41.1-176.700000115.9
156V69.7Low65.2Low24 Ų2489.6 Ų89.615%0.14547%0.468CS..  trans-140.393-175.4-174.70000108.6N154 W158 R159 M206 I255N154-V156 PolarHBondContact O-N 2.74Å; V156-W158 HydrophobicContact CG1-CD2 4.24Å; V156-W158 HydrophobicContact CG1-CZ2 3.75Å; V156-R159 HydrophobicContact CG1-CB 4.32Å; V156-M206 HydrophobicContact CB-CE 3.65Å; V156-M206 HydrophobicContact CG1-CE 3.57Å; V156-M206 HydrophobicContact CG2-CE 4.13Å; V156-I255 HydrophobicContact CG1-CB 4.23Å; V156-I255 HydrophobicContact CG1-CD1 4.41Å; V156-I255 HydrophobicContact CG1-CG2 3.96Å; V156-I255 HydrophobicContact CG2-CD1 3.69Å
157S69.9Low67.5Low33 Ų3391.1 Ų91.123%0.23147%0.467CS..THydrogen-bonded Turntrans-86-19.8-172.251.70000114.8I130 R159I130-S157 VanDerWaalsContact CD1-OG 3.26Å; I130-S157 WeakPolarHBondContact CD1-OG 3.35Å; S157-R159 VanDerWaalsContact C-N 3.35Å; S157-R159 PolarHBondContact O-N 3.05Å
158W78.6Confident70Confident41 Ų4181 Ų8116%0.15543%0.43CS..THydrogen-bonded Turntrans-89.25-175.455.677.6000114.2V156 Q239 C240 I255 P257V156-W158 HydrophobicContact CG1-CD2 4.24Å; V156-W158 HydrophobicContact CG1-CZ2 3.75Å; W158-Q239 HydrophobicContact CE3-CG 4.13Å; W158-Q239 HydrophobicContact CZ3-CG 4.42Å; W158-C240 HydrophobicContact CD2-CB 4.04Å; W158-C240 HydrophobicContact CG-CB 4.44Å; W158-C240 HydrophobicContact CH2-CB 4.38Å; W158-C240 HydrophobicContact CZ2-CB 3.61Å; W158-I255 PolarHBondContact NE1-O 2.85Å; W158-P257 HydrophobicContact CB-CG 4.31Å; W158-P257 HydrophobicContact CG-CG 4.2Å
159R83.4Confident72.4Confident11 Ų1178.7 Ų78.74%0.04241%0.412CS..SBendtrans-151.3127-176.5-171.3-173-174.97411.5112V156 S157 L203 G205 M206 I255 P256 D258V156-R159 HydrophobicContact CG1-CB 4.32Å; S157-R159 VanDerWaalsContact C-N 3.35Å; S157-R159 PolarHBondContact O-N 3.05Å; R159-L203 PolarHBondContact NH2-O 3.15Å; R159-G205 PolarHBondContact NE-O 3.31Å; R159-G205 PolarHBondContact NH2-O 2.9Å; R159-M206 HydrophobicContact CB-CE 4.44Å; R159-M206 HydrophobicContact CB-SD 4.15Å; R159-M206 HydrophobicContact CG-SD 3.78Å; R159-I255 HydrophobicContact CB-CG2 4.47Å; R159-P256 WeakPolarHBondContact CD-O 3.47Å; R159-P256 PolarHBondContact NH1-O 2.89Å; R159-D258 IonicContact NH1-OD1 3.69Å
160S77Confident74.9Confident21 Ų2176.7 Ų76.715%0.14740%0.399CS..  trans-86.3146.3175-54.50000113.3P149 V150 N162 V163P149-S160 VanDerWaalsContact CB-OG 3.26Å; P149-S160 WeakPolarHBondContact CB-OG 3.41Å; V150-S160 PolarHBondContact N-OG 3.48Å; S160-N162 PolarHBondContact O-N 2.85Å; S160-V163 WeakPolarHBondContact O-CG2 3.47Å
161E80.3Confident77.2Confident121 Ų12174.6 Ų74.657%0.56538%0.382SS*.THydrogen-bonded Turntrans-68.6-22.3-179.9-55.1-164.9160.600113.7V163 M206E161-V163 VanDerWaalsContact C-N 3.31Å; E161-V163 PolarHBondContact O-N 3.18Å; E161-M206 HydrophobicContact CB-CG 4.2Å; E161-M206 HydrophobicContact CG-CG 3.79Å; E161-M206 HydrophobicContact CG-SD 4.2Å
162N81.8Confident79.4Confident126 Ų12672.8 Ų72.867%0.67437%0.367SS*.THydrogen-bonded Turntrans-84.30-171.9-64.5-22.4000114.3S160 K164S160-N162 PolarHBondContact O-N 2.85Å; N162-K164 PolarHBondContact O-N 2.86Å
163V85.2Confident81.9Confident27 Ų2770.9 Ų70.916%0.16436%0.355CS..  trans-63.6123.7-179.6178.20000109.8S160 E161 Y165 L203 S204 G205S160-V163 WeakPolarHBondContact O-CG2 3.47Å; E161-V163 VanDerWaalsContact C-N 3.31Å; E161-V163 PolarHBondContact O-N 3.18Å; V163-Y165 HydrophobicContact CG1-CD2 3.84Å; V163-Y165 HydrophobicContact CG1-CE2 3.28Å; V163-L203 WeakPolarHBondContact CG1-O 3.48Å; V163-S204 CarbonylContact O-C 3.53Å; V163-S204 VanDerWaalsContact O-CA 3.23Å; V163-S204 WeakPolarHBondContact O-CA 3.43Å; V163-G205 PolarHBondContact O-N 2.82Å
164K89.3Confident84.1Confident183 Ų18364.5 Ų64.580%0.79632%0.316SS*.  trans-135.2129.2179.3-69.1-176.7-176.5178.30110.7N162N162-K164 PolarHBondContact O-N 2.86Å
165Y90.6Very high86.4Confident72 Ų7261 Ų6128%0.28230%0.298SS..  trans-119.7142.7175.8-71.1-79000110.8V163 K167 Y202 L203 S204 D258V163-Y165 HydrophobicContact CG1-CD2 3.84Å; V163-Y165 HydrophobicContact CG1-CE2 3.28Å; Y165-K167 VanDerWaalsContact C-N 3.26Å; Y165-K167 PolarHBondContact O-N 2.92Å; Y165-Y202 HydrophobicContact CD1-CD1 4.39Å; Y165-Y202 VanDerWaalsContact CD2-C 3.42Å; Y165-Y202 AromaticContact CE1-CD1 3.68Å; Y165-Y202 HydrophobicContact CE1-CD1 3.68Å; Y165-Y202 HydrophobicContact CE1-CG 4.36Å; Y165-Y202 AromaticContact CZ-CD1 3.75Å; Y165-L203 WeakPolarHBondContact CD2-O 3.3Å; Y165-S204 PolarHBondContact N-OG 3.43Å; Y165-S204 PolarHBondContact O-OG 3.27Å; Y165-D258 VanDerWaalsContact CE2-OD1 3.25Å; Y165-D258 WeakPolarHBondContact CE2-OD1 3.37Å; Y165-D258 PolarHBondContact OH-OD1 3.1Å; Y165-D258 VanDerWaalsContact OH-OD1 3.08Å; Y165-D258 PolarHBondContact OH-OD2 3.28Å
166R89.8Confident88Confident259 Ų25956 Ų5698%0.97726%0.256SS*.SBendtrans-64.5-34.4173.3-169.9179.278.4167.92.6111.7
167K91.3Very high89.3Confident112 Ų11256 Ų5649%0.48726%0.258SS..SBendtrans-128.1120.2178.9-172.9-175-178.8-148.30108.1Y165 E169Y165-K167 VanDerWaalsContact C-N 3.26Å; Y165-K167 PolarHBondContact O-N 2.92Å; K167-E169 VanDerWaalsContact CE-OE2 3.29Å; K167-E169 WeakPolarHBondContact CE-OE2 3.36Å; K167-E169 IonicContact NZ-OE2 2.98Å; K167-E169 PolarHBondContact NZ-OE2 3.32Å
168N93.2Very high90.5Very high23 Ų2354.6 Ų54.612%0.12325%0.247CC..  trans-89115.9179.3-63-74.4000109.6Y202 L203 S204 Y403 A405 L406N168-Y202 CarbonylContact C-O 3.58Å; N168-Y202 VanDerWaalsContact CA-O 3.24Å; N168-Y202 WeakPolarHBondContact CA-O 3.49Å; N168-L203 HydrophobicContact CB-CD2 3.93Å; N168-S204 WeakPolarHBondContact OD1-CB 3.44Å; N168-S204 PolarHBondContact OD1-N 3.49Å; N168-S204 PolarHBondContact OD1-OG 2.69Å; N168-Y403 HydrophobicContact CB-CD2 3.63Å; N168-Y403 HydrophobicContact CB-CE2 3.68Å; N168-Y403 HydrophobicContact CB-CG 4.37Å; N168-A405 HydrophobicContact CB-CB 4.02Å; N168-A405 WeakPolarHBondContact O-CA 3.38Å; N168-L406 PolarHBondContact O-N 3.42Å
169E94.8Very high91.3Very high35 Ų3553.7 Ų53.716%0.16425%0.246CC..EExtended strand (participates in β ladder)trans-146.3152.4-179.459.9-169.2176.300112.1K167 F171 Y202K167-E169 VanDerWaalsContact CE-OE2 3.29Å; K167-E169 WeakPolarHBondContact CE-OE2 3.36Å; K167-E169 IonicContact NZ-OE2 2.98Å; K167-E169 PolarHBondContact NZ-OE2 3.32Å; E169-F171 HydrophobicContact CB-CE2 4.39Å; E169-F171 HydrophobicContact CG-CE2 3.73Å; E169-F171 HydrophobicContact CG-CZ 4.11Å; E169-Y202 HydrophobicContact CG-CD2 4.13Å; E169-Y202 PolarHBondContact N-O 3.31Å; E169-Y202 CarbonylContact O-C 3.55Å; E169-Y202 PolarHBondContact O-N 3Å
170V95.2Very high91.9Very high0 Ų053.2 Ų53.20%024%0.244CC..EExtended strand (participates in β ladder)trans-136.1127.6177.357.60000109.3L199 R200 V201 L209 L395 I397 L406 P407 W408V170-L199 HydrophobicContact CG2-CD2 4.1Å; V170-R200 WeakPolarHBondContact CA-O 3.2Å; V170-V201 HydrophobicContact CG2-CG2 4.02Å; V170-L209 HydrophobicContact CG2-CD1 4.48Å; V170-L395 HydrophobicContact CG1-CD2 3.71Å; V170-L395 HydrophobicContact CG2-CD2 4.19Å; V170-I397 HydrophobicContact CG1-CD1 3.76Å; V170-L406 PolarHBondContact N-O 2.93Å; V170-L406 VanDerWaalsContact N-O 3.12Å; V170-P407 HydrophobicContact CG1-CB 3.93Å; V170-P407 CarbonylContact O-C 3.48Å; V170-P407 WeakPolarHBondContact O-CA 3.35Å; V170-W408 PolarHBondContact O-N 3.22Å
171F96.3Very high92.7Very high55 Ų5553.7 Ų53.724%0.24125%0.245CC..EExtended strand (participates in β ladder)trans-105.5132.3174-54.7-91000108.5E169 L199 R200 Y202 W408E169-F171 HydrophobicContact CB-CE2 4.39Å; E169-F171 HydrophobicContact CG-CE2 3.73Å; E169-F171 HydrophobicContact CG-CZ 4.11Å; F171-L199 CarbonylContact O-C 3.58Å; F171-L199 VanDerWaalsContact O-CA 3.23Å; F171-L199 WeakPolarHBondContact O-CA 3.38Å; F171-R200 HydrophobicContact CB-CB 4.14Å; F171-R200 HydrophobicContact CD2-CB 4.13Å; F171-R200 PolarHBondContact N-O 2.86Å; F171-R200 PolarHBondContact O-N 3.4Å; F171-Y202 HydrophobicContact CD2-CD2 4.38Å; F171-Y202 HydrophobicContact CD2-CE2 4.33Å; F171-Y202 HydrophobicContact CE2-CD2 4.08Å; F171-Y202 HydrophobicContact CE2-CE2 4.14Å; F171-W408 CarbonylContact C-O 3.47Å; F171-W408 HydrophobicContact CD1-CB 3.55Å; F171-W408 AromaticContact CD1-CD1 3.75Å; F171-W408 AromaticContact CD1-CG 3.75Å; F171-W408 HydrophobicContact CD1-CG 3.75Å; F171-W408 HydrophobicContact CE1-CB 4.05Å; F171-W408 AromaticContact CE1-CD1 3.42Å; F171-W408 VanDerWaalsContact CE1-CD1 3.42Å; F171-W408 HydrophobicContact CE1-CD2 4.44Å; F171-W408 AromaticContact CE1-CG 3.71Å; F171-W408 HydrophobicContact CE1-CG 3.71Å; F171-W408 AromaticContact CE1-NE1 3.99Å; F171-W408 HydrophobicContact CG-CB 4.36Å
172L96.2Very high93.4Very high1 Ų148 Ų481%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-124117.2178.4-172.1161.4000108.6V174 I197 L199 L211 V392 L395 W408 V409 R410L172-V174 HydrophobicContact CD2-CG2 3.64Å; L172-I197 HydrophobicContact CD1-CG2 4.15Å; L172-I197 HydrophobicContact CD2-CG2 3.66Å; L172-I197 HydrophobicContact CG-CG2 3.73Å; L172-L199 HydrophobicContact CG-CD1 4.25Å; L172-L199 HydrophobicContact CG-CG 4.44Å; L172-L211 HydrophobicContact CD1-CD1 3.6Å; L172-L211 HydrophobicContact CD1-CD2 4.11Å; L172-L211 HydrophobicContact CD1-CG 4.5Å; L172-V392 HydrophobicContact CD1-CG2 4.37Å; L172-V392 HydrophobicContact CD2-CG2 3.79Å; L172-L395 HydrophobicContact CD1-CD2 4.38Å; L172-W408 PolarHBondContact N-O 2.91Å; L172-V409 HydrophobicContact CB-CG2 4.36Å; L172-V409 HydrophobicContact CD2-CG1 4.2Å; L172-V409 WeakPolarHBondContact O-CA 3.41Å; L172-R410 PolarHBondContact O-N 2.84Å
173D96.1Very high93.8Very high13 Ų1342.7 Ų42.77%0.0719%0.191CC..EExtended strand (participates in β ladder)trans-109.9114.9-179.7-63.8-12.8000108.7V175 I197 K198 R410D173-V175 HydrophobicContact CB-CG2 4.16Å; D173-I197 WeakPolarHBondContact O-CA 3.48Å; D173-K198 HydrophobicContact CB-CB 4.39Å; D173-K198 PolarHBondContact N-O 2.89Å; D173-K198 PolarHBondContact O-N 2.81Å; D173-R410 HydrophobicContact CB-CG 4.44Å; D173-R410 WeakPolarHBondContact OD1-CD 3.1Å; D173-R410 WeakPolarHBondContact OD1-CG 3.44Å; D173-R410 IonicContact OD1-CZ 3.32Å; D173-R410 IonicContact OD1-NE 3.14Å; D173-R410 PolarHBondContact OD1-NE 2.77Å; D173-R410 IonicContact OD1-NH2 2.68Å; D173-R410 IonicContact OD2-CZ 3.88Å; D173-R410 VanDerWaalsContact OD2-CZ 3.32Å; D173-R410 IonicContact OD2-NE 3.67Å; D173-R410 PolarHBondContact OD2-NE 2.87Å; D173-R410 VanDerWaalsContact OD2-NE 3.14Å; D173-R410 IonicContact OD2-NH2 3.81Å; D173-R410 PolarHBondContact OD2-NH2 2.82Å
174V96.6Very high94Very high0 Ų043.8 Ų43.80%020%0.2CC..EExtended strand (participates in β ladder)trans-90.5110.1167.3-178.60000107.2L172 I197 Y266 T386 L390 V392 R410 Y411 I412L172-V174 HydrophobicContact CD2-CG2 3.64Å; V174-I197 HydrophobicContact CG2-CG1 4.42Å; V174-Y266 WeakPolarHBondContact CG1-OH 3.38Å; V174-T386 HydrophobicContact CG1-CG2 4.05Å; V174-L390 HydrophobicContact CG1-CD2 3.85Å; V174-V392 HydrophobicContact CG2-CG2 4.08Å; V174-R410 PolarHBondContact N-O 2.9Å; V174-Y411 HydrophobicContact CB-CD1 3.69Å; V174-Y411 HydrophobicContact CB-CE1 4.19Å; V174-Y411 HydrophobicContact CG1-CD1 4.16Å; V174-Y411 HydrophobicContact CG2-CD1 3.87Å; V174-Y411 HydrophobicContact CG2-CE1 3.84Å; V174-Y411 CarbonylContact O-C 3.48Å; V174-Y411 WeakPolarHBondContact O-CA 3.49Å; V174-I412 PolarHBondContact O-N 2.87Å
175V96.7Very high93.9Very high18 Ų1840.1 Ų40.111%0.10919%0.193CC..EExtended strand (participates in β ladder)trans-113.2120.3-178.2-174.70000108.8D173 G195 S196 I412D173-V175 HydrophobicContact CB-CG2 4.16Å; V175-G195 CarbonylContact O-C 3.39Å; V175-G195 VanDerWaalsContact O-CA 3.24Å; V175-G195 WeakPolarHBondContact O-CA 3.41Å; V175-S196 PolarHBondContact N-O 2.81Å; V175-S196 PolarHBondContact O-N 2.89Å; V175-I412 CarbonylContact C-O 3.6Å; V175-I412 WeakPolarHBondContact CA-O 3.48Å; V175-I412 HydrophobicContact CG2-CB 4.5Å
176E96.4Very high93.7Very high0 Ų038.2 Ų38.20%020%0.195CC..EExtended strand (participates in β ladder)trans-115.7124.6177.5-68.1-171.4154.300110.7I193 Y266 T386 V387 S388 I412 T413 Q414E176-I193 HydrophobicContact CB-CG2 3.91Å; E176-I193 HydrophobicContact CG-CG2 4.04Å; E176-Y266 WeakPolarHBondContact CG-OH 3.28Å; E176-Y266 PolarHBondContact OE1-OH 2.97Å; E176-T386 WeakPolarHBondContact OE2-CA 3.39Å; E176-T386 WeakPolarHBondContact OE2-CB 3.43Å; E176-V387 PolarHBondContact OE2-N 2.84Å; E176-S388 WeakPolarHBondContact OE1-CB 3.44Å; E176-S388 PolarHBondContact OE1-OG 2.84Å; E176-S388 PolarHBondContact OE2-N 2.89Å; E176-S388 VanDerWaalsContact OE2-N 3.16Å; E176-S388 PolarHBondContact OE2-OG 3.04Å; E176-I412 PolarHBondContact N-O 3.35Å; E176-T413 CarbonylContact O-C 3.6Å; E176-T413 VanDerWaalsContact O-CA 3.28Å; E176-T413 WeakPolarHBondContact O-CA 3.19Å; E176-Q414 PolarHBondContact O-N 2.83Å
177S96.5Very high93.8Very high26 Ų2629.8 Ų29.818%0.18217%0.173CC..EExtended strand (participates in β ladder)trans-100125.2170.4-63.80000109.5V194 Q414S177-V194 PolarHBondContact N-O 3.13Å; S177-V194 PolarHBondContact O-N 3.04Å; S177-Q414 WeakPolarHBondContact CA-O 3.36Å; S177-Q414 PolarHBondContact OG-NE2 3.34Å
178V95.7Very high93.8Very high2 Ų226.7 Ų26.71%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-94.3114.9177.5-175.70000110.3L180 L275 V387 T413 Q414 G416 Y418V178-L180 HydrophobicContact CG1-CB 4.43Å; V178-L275 HydrophobicContact CG2-CD1 4.17Å; V178-V387 HydrophobicContact CG2-CB 4.31Å; V178-V387 HydrophobicContact CG2-CG1 4.36Å; V178-V387 HydrophobicContact CG2-CG2 3.75Å; V178-T413 HydrophobicContact CG2-CG2 3.87Å; V178-Q414 PolarHBondContact N-O 2.9Å; V178-G416 WeakPolarHBondContact O-CA 3.42Å; V178-G416 PolarHBondContact O-N 2.86Å; V178-Y418 HydrophobicContact CG1-CD2 4.38Å; V178-Y418 HydrophobicContact CG1-CE2 4.36Å
179N95.1Very high93.8Very high22 Ų2230.3 Ų30.312%0.11818%0.182CC..EExtended strand (participates in β ladder)trans-89.4121.4167.3-62.7-28.2000108.6S191 E192 G416 D417N179-S191 WeakPolarHBondContact O-CA 3.34Å; N179-E192 HydrophobicContact CB-CB 4.22Å; N179-E192 PolarHBondContact N-O 3.36Å; N179-E192 PolarHBondContact O-N 3.32Å; N179-G416 WeakPolarHBondContact OD1-CA 3.24Å; N179-D417 CarbonylContact C-O 3.51Å; N179-D417 WeakPolarHBondContact CA-O 3.48Å; N179-D417 PolarHBondContact OD1-N 3.17Å
180L95.1Very high93.6Very high2 Ų234.1 Ų34.11%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-139.9129.7-176.9-17483.3000110V178 V182 V188 R190 P274 D417 Y418 Q419V178-L180 HydrophobicContact CG1-CB 4.43Å; L180-V182 HydrophobicContact CD2-CG2 3.75Å; L180-V182 HydrophobicContact CG-CG2 3.99Å; L180-V188 HydrophobicContact CD1-CG1 3.72Å; L180-R190 WeakPolarHBondContact CA-O 3.44Å; L180-P274 HydrophobicContact CD1-CG 4.32Å; L180-P274 HydrophobicContact CD2-CB 3.6Å; L180-P274 HydrophobicContact CD2-CG 3.65Å; L180-D417 PolarHBondContact N-O 2.64Å; L180-D417 VanDerWaalsContact O-O 3.13Å; L180-Y418 HydrophobicContact CB-CD2 3.65Å; L180-Y418 HydrophobicContact CB-CE2 3.8Å; L180-Y418 HydrophobicContact CB-CG 4.2Å; L180-Y418 HydrophobicContact CD2-CD1 4.43Å; L180-Y418 HydrophobicContact CD2-CD2 4.11Å; L180-Y418 HydrophobicContact CD2-CE1 3.89Å; L180-Y418 HydrophobicContact CD2-CE2 3.49Å; L180-Y418 VanDerWaalsContact CD2-CE2 3.49Å; L180-Y418 HydrophobicContact CG-CE2 4.27Å; L180-Y418 WeakPolarHBondContact O-CA 3.46Å; L180-Q419 PolarHBondContact O-N 2.99Å
181L94.6Very high93.5Very high30 Ų3034.9 Ų34.916%0.15720%0.2CC..EExtended strand (participates in β ladder)trans-124.6122168.6179.362.9000109.5L189 R190 Q419 R421L181-L189 HydrophobicContact CD2-CB 4.26Å; L181-L189 HydrophobicContact CD2-CD1 4.21Å; L181-L189 HydrophobicContact CG-CB 4.25Å; L181-L189 HydrophobicContact CG-CD1 4.3Å; L181-L189 PolarHBondContact O-N 3.08Å; L181-R190 HydrophobicContact CB-CB 3.85Å; L181-R190 PolarHBondContact N-O 3.07Å; L181-R190 PolarHBondContact O-N 3.42Å; L181-Q419 WeakPolarHBondContact CA-O 3.49Å; L181-Q419 HydrophobicContact CD1-CB 3.76Å; L181-R421 HydrophobicContact CD1-CG 4.5Å
182V94.2Very high93.4Very high2 Ų232.5 Ų32.51%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-111.1134.2177.1-171.50000109.7L180 T187 V188 P274 W277 Q419 L420 R421L180-V182 HydrophobicContact CD2-CG2 3.75Å; L180-V182 HydrophobicContact CG-CG2 3.99Å; V182-T187 CarbonylContact C-O 3.55Å; V182-T187 WeakPolarHBondContact CA-O 3.28Å; V182-V188 HydrophobicContact CG2-CG2 4.45Å; V182-P274 HydrophobicContact CG2-CG 4.31Å; V182-W277 HydrophobicContact CB-CZ3 4.4Å; V182-W277 HydrophobicContact CG1-CH2 3.57Å; V182-W277 HydrophobicContact CG1-CZ3 3.6Å; V182-W277 HydrophobicContact CG2-CZ3 4.01Å; V182-Q419 PolarHBondContact N-O 2.72Å; V182-L420 HydrophobicContact CB-CB 4.44Å; V182-L420 HydrophobicContact CB-CD2 4.48Å; V182-L420 HydrophobicContact CB-CG 4.35Å; V182-L420 HydrophobicContact CG2-CD2 4.21Å; V182-L420 HydrophobicContact CG2-CG 4.22Å; V182-R421 WeakPolarHBondContact O-CB 3.34Å; V182-R421 PolarHBondContact O-N 2.69Å
183S92.1Very high93.4Very high14 Ų1432.5 Ų32.510%0.09819%0.19CC..  trans-70.6164.6173.270.60000111.8T185 G186 T187S183-T185 PolarHBondContact O-N 3.36Å; S183-T185 PolarHBondContact OG-N 3.31Å; S183-T185 PolarHBondContact OG-OG1 3.37Å; S183-G186 PolarHBondContact O-N 2.98Å; S183-T187 PolarHBondContact N-O 3.28Å; S183-T187 WeakPolarHBondContact OG-CB 3.46Å; S183-T187 PolarHBondContact OG-N 3.23Å; S183-T187 PolarHBondContact OG-O 2.8Å
184S87.6Confident93.4Very high50 Ų5034.3 Ų34.335%0.3520%0.201SC..THydrogen-bonded Turntrans-61.4-25.6173.754.20000113.2G186 R421 T422 L423S184-G186 PolarHBondContact O-N 3.02Å; S184-R421 WeakPolarHBondContact CA-O 3.43Å; S184-T422 VanDerWaalsContact CB-O 3.31Å; S184-T422 WeakPolarHBondContact CB-O 3.48Å; S184-L423 WeakPolarHBondContact O-CG 3.13Å
185T88.7Confident93.3Very high107 Ų10734.4 Ų34.466%0.65620%0.202SC*.THydrogen-bonded Turntrans-78.4-3.2174.163.40000113.7S183 T187S183-T185 PolarHBondContact O-N 3.36Å; S183-T185 PolarHBondContact OG-N 3.31Å; S183-T185 PolarHBondContact OG-OG1 3.37Å; T185-T187 PolarHBondContact OG1-OG1 3.46Å
186G86.4Confident93.3Very high32 Ų3234.2 Ų34.233%0.3320%0.202SC..SBendtrans85.68.8-177.200000115.1S183 S184S183-G186 PolarHBondContact O-N 2.98Å; S184-G186 PolarHBondContact O-N 3.02Å
187T90.9Very high93.3Very high82 Ų8234.2 Ų34.250%0.50320%0.202SC..  trans-82.5133177.5-51.10000110.1V182 S183 T185 L189V182-T187 CarbonylContact C-O 3.55Å; V182-T187 WeakPolarHBondContact CA-O 3.28Å; S183-T187 PolarHBondContact N-O 3.28Å; S183-T187 WeakPolarHBondContact OG-CB 3.46Å; S183-T187 PolarHBondContact OG-N 3.23Å; S183-T187 PolarHBondContact OG-O 2.8Å; T185-T187 PolarHBondContact OG1-OG1 3.46Å; T187-L189 PolarHBondContact O-N 3.27Å
188V91.4Very high93.3Very high47 Ų4737.6 Ų37.629%0.28521%0.213SC..EExtended strand (participates in β ladder)trans-75.7111.7174.4-178.10000109.2L180 V182 R190 P274L180-V188 HydrophobicContact CD1-CG1 3.72Å; V182-V188 HydrophobicContact CG2-CG2 4.45Å; V188-R190 WeakPolarHBondContact CG1-O 3.48Å; V188-P274 HydrophobicContact CG2-CG 4.37Å
189L92.3Very high93.3Very high99 Ų9937.6 Ų37.652%0.51821%0.213SC..EExtended strand (participates in β ladder)trans-87.2-35.7-179.5-60.6179.2000112.4L181 T187L181-L189 HydrophobicContact CD2-CB 4.26Å; L181-L189 HydrophobicContact CD2-CD1 4.21Å; L181-L189 HydrophobicContact CG-CB 4.25Å; L181-L189 HydrophobicContact CG-CD1 4.3Å; L181-L189 PolarHBondContact O-N 3.08Å; T187-L189 PolarHBondContact O-N 3.27Å
190R92.4Very high93.3Very high114 Ų11440.9 Ų40.943%0.4322%0.224SC..EExtended strand (participates in β ladder)trans-137.2133.7176.1-172.8178.7175.6-177.9-1109.1L180 L181 V188 E192L180-R190 WeakPolarHBondContact CA-O 3.44Å; L181-R190 HydrophobicContact CB-CB 3.85Å; L181-R190 PolarHBondContact N-O 3.07Å; L181-R190 PolarHBondContact O-N 3.42Å; V188-R190 WeakPolarHBondContact CG1-O 3.48Å; R190-E192 IonicContact CZ-OE2 3.72Å; R190-E192 IonicContact NE-OE2 2.94Å; R190-E192 IonicContact NH2-OE2 2.94Å; R190-E192 PolarHBondContact NH2-OE2 3.27Å
191S92.9Very high93.2Very high16 Ų1640.8 Ų40.811%0.11222%0.223CC..EExtended strand (participates in β ladder)trans-145113.7174.7176.10000108.3N179 T270 V272N179-S191 WeakPolarHBondContact O-CA 3.34Å; S191-T270 PolarHBondContact OG-O 2.57Å; S191-V272 PolarHBondContact OG-N 2.88Å
192E94Very high93.2Very high6 Ų642.8 Ų42.83%0.02823%0.229CC..EExtended strand (participates in β ladder)trans-147.6139.7-176.4168.2-176.3-16500109.4N179 R190 V194 R267N179-E192 HydrophobicContact CB-CB 4.22Å; N179-E192 PolarHBondContact N-O 3.36Å; N179-E192 PolarHBondContact O-N 3.32Å; R190-E192 IonicContact CZ-OE2 3.72Å; R190-E192 IonicContact NE-OE2 2.94Å; R190-E192 IonicContact NH2-OE2 2.94Å; R190-E192 PolarHBondContact NH2-OE2 3.27Å; E192-V194 HydrophobicContact CG-CG2 4.14Å; E192-R267 IonicContact OE1-CZ 2.74Å; E192-R267 IonicContact OE1-NE 2.79Å; E192-R267 PolarHBondContact OE1-NE 2.96Å; E192-R267 IonicContact OE1-NH2 3.59Å; E192-R267 PolarHBondContact OE1-NH2 3.27Å; E192-R267 IonicContact OE2-NH2 2.98Å
193I95Very high93.2Very high0 Ų042.7 Ų42.70%023%0.229CC..EExtended strand (participates in β ladder)trans-108.4122.8172.9-52.8170.2000107.3E176 R267 L268 V272 V387E176-I193 HydrophobicContact CB-CG2 3.91Å; E176-I193 HydrophobicContact CG-CG2 4.04Å; I193-R267 CarbonylContact O-C 3.59Å; I193-R267 VanDerWaalsContact O-CA 3.24Å; I193-R267 WeakPolarHBondContact O-CA 3.4Å; I193-L268 HydrophobicContact CB-CB 4.21Å; I193-L268 HydrophobicContact CB-CD1 4.06Å; I193-L268 HydrophobicContact CD1-CB 4.42Å; I193-L268 HydrophobicContact CG2-CD1 4.14Å; I193-L268 PolarHBondContact N-O 2.8Å; I193-L268 PolarHBondContact O-N 2.87Å; I193-V272 HydrophobicContact CD1-CG2 3.82Å; I193-V272 HydrophobicContact CG1-CG2 4.01Å; I193-V387 HydrophobicContact CD1-CB 3.98Å; I193-V387 HydrophobicContact CD1-CG1 3.61Å; I193-V387 HydrophobicContact CG1-CG1 4.21Å
194V95.7Very high93.2Very high52 Ų5242.8 Ų42.832%0.31523%0.229SC..EExtended strand (participates in β ladder)trans-107.5112170.3-177.80000107.1S177 E192 R267S177-V194 PolarHBondContact N-O 3.13Å; S177-V194 PolarHBondContact O-N 3.04Å; E192-V194 HydrophobicContact CG-CG2 4.14Å; V194-R267 HydrophobicContact CG2-CG 4.42Å
195G96Very high93.3Very high2 Ų241.2 Ų41.22%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-115.2152.3-177.400000112.8V175 S265 Y266V175-G195 CarbonylContact O-C 3.39Å; V175-G195 VanDerWaalsContact O-CA 3.24Å; V175-G195 WeakPolarHBondContact O-CA 3.41Å; G195-S265 CarbonylContact O-C 3.55Å; G195-S265 VanDerWaalsContact O-CA 3.26Å; G195-S265 WeakPolarHBondContact O-CA 3.34Å; G195-Y266 PolarHBondContact N-O 2.63Å; G195-Y266 WeakPolarHBondContact O-CD1 3.45Å; G195-Y266 PolarHBondContact O-N 2.62Å
196S96.5Very high93.4Very high14 Ų1438.1 Ų38.110%0.09820%0.199CC..EExtended strand (participates in β ladder)trans-138.9153.9165.471.50000112.4V175 K198 E262 M264V175-S196 PolarHBondContact N-O 2.81Å; V175-S196 PolarHBondContact O-N 2.89Å; S196-K198 WeakPolarHBondContact OG-CE 3.41Å; S196-E262 VanDerWaalsContact CB-CD 3.47Å; S196-E262 VanDerWaalsContact CB-OE2 3.26Å; S196-E262 WeakPolarHBondContact CB-OE2 3.45Å; S196-E262 PolarHBondContact OG-OE2 2.86Å; S196-E262 VanDerWaalsContact OG-OE2 3.04Å; S196-M264 CarbonylContact C-O 3.56Å; S196-M264 WeakPolarHBondContact CA-O 3.2Å; S196-M264 VanDerWaalsContact CB-O 3.32Å; S196-M264 WeakPolarHBondContact CB-O 3.34Å
197I96.1Very high93.7Very high0 Ų036.6 Ų36.60%018%0.183CC..EExtended strand (participates in β ladder)trans-108.8110.2173.9-54.8-171.3000107.1L172 D173 V174 L199 L211 V213 L263 M264 Y266 L390L172-I197 HydrophobicContact CD1-CG2 4.15Å; L172-I197 HydrophobicContact CD2-CG2 3.66Å; L172-I197 HydrophobicContact CG-CG2 3.73Å; D173-I197 WeakPolarHBondContact O-CA 3.48Å; V174-I197 HydrophobicContact CG2-CG1 4.42Å; I197-L199 HydrophobicContact CG2-CD1 3.85Å; I197-L211 HydrophobicContact CD1-CD2 4.09Å; I197-L211 HydrophobicContact CG2-CD2 4.47Å; I197-V213 HydrophobicContact CD1-CG1 4.25Å; I197-L263 HydrophobicContact CG2-CD2 4.44Å; I197-L263 PolarHBondContact O-N 3.24Å; I197-M264 HydrophobicContact CB-CG 3.84Å; I197-M264 HydrophobicContact CD1-CG 3.89Å; I197-M264 HydrophobicContact CD1-SD 3.62Å; I197-M264 HydrophobicContact CG1-CG 3.79Å; I197-M264 HydrophobicContact CG1-SD 4.2Å; I197-M264 PolarHBondContact N-O 2.81Å; I197-Y266 HydrophobicContact CG1-CE1 4.06Å; I197-L390 HydrophobicContact CD1-CD2 4.38Å
198K96.2Very high93.8Very high97 Ų9734.2 Ų34.242%0.42217%0.167SC..EExtended strand (participates in β ladder)trans-102.5137.1178.6-59.1-176.7-179-174.40109.3D173 S196D173-K198 HydrophobicContact CB-CB 4.39Å; D173-K198 PolarHBondContact N-O 2.89Å; D173-K198 PolarHBondContact O-N 2.81Å; S196-K198 WeakPolarHBondContact OG-CE 3.41Å
199L96Very high93.9Very high1 Ų132 Ų321%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-115.9147.4176.1-80.475.2000110.6V170 F171 L172 I197 V201 L209 F254 E260 F261 L263V170-L199 HydrophobicContact CG2-CD2 4.1Å; F171-L199 CarbonylContact O-C 3.58Å; F171-L199 VanDerWaalsContact O-CA 3.23Å; F171-L199 WeakPolarHBondContact O-CA 3.38Å; L172-L199 HydrophobicContact CG-CD1 4.25Å; L172-L199 HydrophobicContact CG-CG 4.44Å; I197-L199 HydrophobicContact CG2-CD1 3.85Å; L199-V201 HydrophobicContact CB-CG2 3.85Å; L199-V201 HydrophobicContact CD2-CG2 4.04Å; L199-L209 HydrophobicContact CD2-CD1 4.25Å; L199-F254 HydrophobicContact CD2-CE2 3.89Å; L199-F254 HydrophobicContact CD2-CZ 3.88Å; L199-E260 CarbonylContact O-C 3.48Å; L199-E260 VanDerWaalsContact O-CA 3.29Å; L199-E260 WeakPolarHBondContact O-CA 3.02Å; L199-F261 HydrophobicContact CB-CD1 4.3Å; L199-F261 HydrophobicContact CB-CE1 3.76Å; L199-F261 HydrophobicContact CB-CZ 4.12Å; L199-F261 HydrophobicContact CD2-CE1 4.47Å; L199-F261 HydrophobicContact CD2-CZ 4.29Å; L199-F261 PolarHBondContact N-O 2.78Å; L199-F261 PolarHBondContact O-N 2.83Å; L199-L263 HydrophobicContact CD1-CB 3.57Å; L199-L263 HydrophobicContact CD1-CD2 3.79Å; L199-L263 HydrophobicContact CD1-CG 4.31Å
200R94.6Very high93.9Very high92 Ų9231.2 Ų31.235%0.34714%0.143SC..EExtended strand (participates in β ladder)trans-120.6112161.9-49.4-175168.1-179.2-20.6107.8V170 F171 Y202 G259 E260V170-R200 WeakPolarHBondContact CA-O 3.2Å; F171-R200 HydrophobicContact CB-CB 4.14Å; F171-R200 HydrophobicContact CD2-CB 4.13Å; F171-R200 PolarHBondContact N-O 2.86Å; F171-R200 PolarHBondContact O-N 3.4Å; R200-Y202 HydrophobicContact CB-CE2 4.33Å; R200-G259 WeakPolarHBondContact CA-O 3.23Å; R200-E260 HydrophobicContact CB-CG 4.35Å; R200-E260 WeakPolarHBondContact CD-OE1 3.4Å; R200-E260 HydrophobicContact CG-CB 4.34Å; R200-E260 HydrophobicContact CG-CG 3.77Å; R200-E260 VanDerWaalsContact CZ-CD 3.45Å; R200-E260 IonicContact CZ-OE1 3.02Å; R200-E260 IonicContact CZ-OE2 2.88Å; R200-E260 VanDerWaalsContact CZ-OE2 3.32Å; R200-E260 IonicContact NE-OE1 3.99Å; R200-E260 PolarHBondContact NE-OE1 3.34Å; R200-E260 IonicContact NE-OE2 3.42Å; R200-E260 PolarHBondContact NE-OE2 3.26Å; R200-E260 IonicContact NH1-OE1 2.73Å; R200-E260 VanDerWaalsContact NH2-CD 3.32Å; R200-E260 IonicContact NH2-OE1 3.91Å; R200-E260 PolarHBondContact NH2-OE1 3.27Å; R200-E260 IonicContact NH2-OE2 3.07Å; R200-E260 PolarHBondContact NH2-OE2 2.73Å
201V94.3Very high93.9Very high0 Ų025.9 Ų25.90%012%0.123CC..EExtended strand (participates in β ladder)trans-114.3117.1-168.6-174.70000110.1V170 L199 L203 P256 G259 F261V170-V201 HydrophobicContact CG2-CG2 4.02Å; L199-V201 HydrophobicContact CB-CG2 3.85Å; L199-V201 HydrophobicContact CD2-CG2 4.04Å; V201-L203 HydrophobicContact CG1-CB 3.91Å; V201-L203 HydrophobicContact CG1-CD1 3.69Å; V201-L203 HydrophobicContact CG1-CG 3.61Å; V201-P256 HydrophobicContact CB-CB 4.35Å; V201-P256 HydrophobicContact CB-CG 4.49Å; V201-P256 HydrophobicContact CG1-CB 4.12Å; V201-P256 HydrophobicContact CG1-CG 3.74Å; V201-P256 HydrophobicContact CG2-CB 3.83Å; V201-P256 HydrophobicContact CG2-CG 4.27Å; V201-G259 PolarHBondContact N-O 2.93Å; V201-G259 PolarHBondContact O-N 3.36Å; V201-F261 HydrophobicContact CG2-CE1 3.79Å
202Y93.9Very high93.7Very high72 Ų7225.1 Ų25.128%0.28212%0.118SC..EExtended strand (participates in β ladder)trans-121.170.2173.1-56.1-67.6000108.3Y165 N168 E169 F171 R200Y165-Y202 HydrophobicContact CD1-CD1 4.39Å; Y165-Y202 VanDerWaalsContact CD2-C 3.42Å; Y165-Y202 AromaticContact CE1-CD1 3.68Å; Y165-Y202 HydrophobicContact CE1-CD1 3.68Å; Y165-Y202 HydrophobicContact CE1-CG 4.36Å; Y165-Y202 AromaticContact CZ-CD1 3.75Å; N168-Y202 CarbonylContact C-O 3.58Å; N168-Y202 VanDerWaalsContact CA-O 3.24Å; N168-Y202 WeakPolarHBondContact CA-O 3.49Å; E169-Y202 HydrophobicContact CG-CD2 4.13Å; E169-Y202 PolarHBondContact N-O 3.31Å; E169-Y202 CarbonylContact O-C 3.55Å; E169-Y202 PolarHBondContact O-N 3Å; F171-Y202 HydrophobicContact CD2-CD2 4.38Å; F171-Y202 HydrophobicContact CD2-CE2 4.33Å; F171-Y202 HydrophobicContact CE2-CD2 4.08Å; F171-Y202 HydrophobicContact CE2-CE2 4.14Å; R200-Y202 HydrophobicContact CB-CE2 4.33Å
203L93.7Very high93.5Very high0 Ų025 Ų250%012%0.118CC..  trans-118.1143.7-176.3-65.5-178.6000109.6R159 V163 Y165 N168 V201 P207 L209 I397 Y403 A405R159-L203 PolarHBondContact NH2-O 3.15Å; V163-L203 WeakPolarHBondContact CG1-O 3.48Å; Y165-L203 WeakPolarHBondContact CD2-O 3.3Å; N168-L203 HydrophobicContact CB-CD2 3.93Å; V201-L203 HydrophobicContact CG1-CB 3.91Å; V201-L203 HydrophobicContact CG1-CD1 3.69Å; V201-L203 HydrophobicContact CG1-CG 3.61Å; L203-P207 HydrophobicContact CB-CG 3.79Å; L203-P207 HydrophobicContact CD1-CB 4.07Å; L203-P207 HydrophobicContact CD1-CG 3.77Å; L203-P207 HydrophobicContact CG-CG 4.45Å; L203-L209 HydrophobicContact CD1-CD1 4.38Å; L203-L209 HydrophobicContact CD1-CD2 4Å; L203-I397 HydrophobicContact CD1-CG2 4.15Å; L203-Y403 WeakPolarHBondContact CB-OH 3.45Å; L203-Y403 HydrophobicContact CD2-CE2 4.08Å; L203-A405 HydrophobicContact CD2-CB 3.76Å
204S92.3Very high93Very high16 Ų1625 Ų2511%0.11212%0.118CC..  trans-85.5150.6178-530000111.2V163 Y165 N168 Y403V163-S204 CarbonylContact O-C 3.53Å; V163-S204 VanDerWaalsContact O-CA 3.23Å; V163-S204 WeakPolarHBondContact O-CA 3.43Å; Y165-S204 PolarHBondContact N-OG 3.43Å; Y165-S204 PolarHBondContact O-OG 3.27Å; N168-S204 WeakPolarHBondContact OD1-CB 3.44Å; N168-S204 PolarHBondContact OD1-N 3.49Å; N168-S204 PolarHBondContact OD1-OG 2.69Å; S204-Y403 PolarHBondContact N-OH 3.39Å; S204-Y403 VanDerWaalsContact O-CE1 3.25Å; S204-Y403 WeakPolarHBondContact O-CE1 3.36Å; S204-Y403 PolarHBondContact O-OH 2.76Å
205G90.6Very high92.2Very high16 Ų1622.8 Ų22.817%0.16510%0.104CC..SBendtrans70.6-143.5176.100000113.7R159 V163 P207R159-G205 PolarHBondContact NE-O 3.31Å; R159-G205 PolarHBondContact NH2-O 2.9Å; V163-G205 PolarHBondContact O-N 2.82Å; G205-P207 VanDerWaalsContact O-CD 3.22Å; G205-P207 WeakPolarHBondContact O-CD 3.49Å
206M89.9Confident91Very high42 Ų4225.9 Ų25.921%0.20712%0.117CC..  trans-11963.3-174.3-67.9-64.2-8300112.5V156 R159 E161 E208 I255 E399V156-M206 HydrophobicContact CB-CE 3.65Å; V156-M206 HydrophobicContact CG1-CE 3.57Å; V156-M206 HydrophobicContact CG2-CE 4.13Å; R159-M206 HydrophobicContact CB-CE 4.44Å; R159-M206 HydrophobicContact CB-SD 4.15Å; R159-M206 HydrophobicContact CG-SD 3.78Å; E161-M206 HydrophobicContact CB-CG 4.2Å; E161-M206 HydrophobicContact CG-CG 3.79Å; E161-M206 HydrophobicContact CG-SD 4.2Å; M206-E208 PolarHBondContact O-N 3.03Å; M206-I255 HydrophobicContact CE-CG2 4.22Å; M206-E399 PolarHBondContact N-OE2 3.23Å
207P92.7Very high89.5Confident0 Ų027.5 Ų27.50%013%0.126CC..  trans-67.6133.1-172.328.7-36.6000111.3L203 G205 L209 I255 P256 I397 I398 E399L203-P207 HydrophobicContact CB-CG 3.79Å; L203-P207 HydrophobicContact CD1-CB 4.07Å; L203-P207 HydrophobicContact CD1-CG 3.77Å; L203-P207 HydrophobicContact CG-CG 4.45Å; G205-P207 VanDerWaalsContact O-CD 3.22Å; G205-P207 WeakPolarHBondContact O-CD 3.49Å; P207-L209 HydrophobicContact CB-CD2 4.5Å; P207-I255 WeakPolarHBondContact O-CA 3.39Å; P207-P256 HydrophobicContact CG-CG 4.35Å; P207-P256 VanDerWaalsContact O-CD 3.28Å; P207-P256 WeakPolarHBondContact O-CD 3.36Å; P207-I397 HydrophobicContact CB-CG2 4.36Å; P207-I398 CarbonylContact C-O 3.5Å; P207-I398 WeakPolarHBondContact CA-O 3.44Å; P207-E399 WeakPolarHBondContact CA-OE2 3.46Å; P207-E399 HydrophobicContact CB-CB 4.26Å
208E92.6Very high88Confident32 Ų3229.1 Ų29.115%0.1513%0.132CC..EExtended strand (participates in β ladder)trans-88.4115.5165.4-174178.4127.500108.8M206 R210 R242 R245 S253 I398M206-E208 PolarHBondContact O-N 3.03Å; E208-R210 IonicContact OE1-CZ 2.72Å; E208-R210 IonicContact OE1-NE 2.76Å; E208-R210 PolarHBondContact OE1-NE 3.49Å; E208-R210 IonicContact OE1-NH2 3.93Å; E208-R210 PolarHBondContact OE1-NH2 2.45Å; E208-R242 IonicContact OE1-NH1 2.69Å; E208-R242 IonicContact OE2-CZ 2.71Å; E208-R242 IonicContact OE2-NH1 3.72Å; E208-R242 PolarHBondContact OE2-NH1 3.16Å; E208-R242 IonicContact OE2-NH2 3.94Å; E208-R245 IonicContact OE1-CZ 2.67Å; E208-R245 IonicContact OE1-NH1 3.81Å; E208-R245 PolarHBondContact OE1-NH1 2.83Å; E208-R245 IonicContact OE2-NH1 2.79Å; E208-S253 PolarHBondContact OE1-OG 2.96Å; E208-I398 HydrophobicContact CB-CB 4.41Å; E208-I398 PolarHBondContact N-O 3.28Å; E208-I398 WeakPolarHBondContact O-CB 3.32Å; E208-I398 PolarHBondContact O-N 3.19Å
209L94.6Very high86.5Confident0 Ų026.3 Ų26.30%012%0.12CC..EExtended strand (participates in β ladder)trans-93.2142.4173.2-60.4-166000110.7V170 L199 L203 P207 S253 F254 P256 L395 K396 I397V170-L209 HydrophobicContact CG2-CD1 4.48Å; L199-L209 HydrophobicContact CD2-CD1 4.25Å; L203-L209 HydrophobicContact CD1-CD1 4.38Å; L203-L209 HydrophobicContact CD1-CD2 4Å; P207-L209 HydrophobicContact CB-CD2 4.5Å; L209-S253 WeakPolarHBondContact O-CA 3.47Å; L209-F254 HydrophobicContact CB-CD1 4.42Å; L209-F254 HydrophobicContact CB-CD2 4.3Å; L209-F254 HydrophobicContact CB-CE1 4.04Å; L209-F254 HydrophobicContact CB-CE2 3.91Å; L209-F254 HydrophobicContact CB-CZ 3.76Å; L209-F254 HydrophobicContact CD1-CE2 3.84Å; L209-F254 HydrophobicContact CD1-CZ 4.03Å; L209-F254 HydrophobicContact CG-CE2 4.31Å; L209-F254 HydrophobicContact CG-CZ 4.48Å; L209-F254 PolarHBondContact N-O 2.77Å; L209-F254 PolarHBondContact O-N 3.17Å; L209-P256 HydrophobicContact CD1-CB 4.32Å; L209-P256 HydrophobicContact CD1-CG 3.76Å; L209-P256 HydrophobicContact CG-CG 3.99Å; L209-L395 HydrophobicContact CB-CD1 4.29Å; L209-L395 HydrophobicContact CD1-CD1 4.42Å; L209-K396 WeakPolarHBondContact CA-O 3.5Å; L209-I397 HydrophobicContact CD2-CB 3.85Å; L209-I397 HydrophobicContact CD2-CG1 3.59Å; L209-I397 HydrophobicContact CD2-CG2 3.75Å
210R92.7Very high84.9Confident84 Ų8430.9 Ų30.932%0.31714%0.141SC..EExtended strand (participates in β ladder)trans-127.4111.8170.6-58.2-174.9-173.2-177.1-0.7109.6E208 T251 I252 L395 K396 I398E208-R210 IonicContact OE1-CZ 2.72Å; E208-R210 IonicContact OE1-NE 2.76Å; E208-R210 PolarHBondContact OE1-NE 3.49Å; E208-R210 IonicContact OE1-NH2 3.93Å; E208-R210 PolarHBondContact OE1-NH2 2.45Å; R210-T251 HydrophobicContact CB-CG2 4.33Å; R210-I252 WeakPolarHBondContact CA-O 3.45Å; R210-L395 WeakPolarHBondContact O-CA 3.37Å; R210-K396 HydrophobicContact CB-CB 4.33Å; R210-K396 PolarHBondContact N-O 3.29Å; R210-K396 PolarHBondContact O-N 2.9Å; R210-I398 HydrophobicContact CG-CD1 4.48Å
211L92.5Very high83.4Confident1 Ų131.8 Ų31.81%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-99126.5178.9177.264.8000109.8L172 I197 V213 I252 F254 L263 V392 L395L172-L211 HydrophobicContact CD1-CD1 3.6Å; L172-L211 HydrophobicContact CD1-CD2 4.11Å; L172-L211 HydrophobicContact CD1-CG 4.5Å; I197-L211 HydrophobicContact CD1-CD2 4.09Å; I197-L211 HydrophobicContact CG2-CD2 4.47Å; L211-V213 HydrophobicContact CD2-CG1 4.28Å; L211-V213 HydrophobicContact CG-CG1 4.19Å; L211-I252 HydrophobicContact CB-CB 4.19Å; L211-I252 HydrophobicContact CB-CG2 4.49Å; L211-I252 HydrophobicContact CD2-CD1 4.31Å; L211-I252 PolarHBondContact N-O 2.85Å; L211-I252 PolarHBondContact O-N 2.88Å; L211-F254 HydrophobicContact CB-CE1 4.16Å; L211-L263 HydrophobicContact CD2-CD2 3.69Å; L211-V392 HydrophobicContact CD1-CB 4.47Å; L211-V392 HydrophobicContact CD1-CG1 3.53Å; L211-V392 HydrophobicContact CD1-CG2 4.21Å; L211-L395 HydrophobicContact CB-CD1 4.28Å; L211-L395 HydrophobicContact CD1-CD1 4.36Å
212G88.7Confident82.1Confident0 Ų036.6 Ų36.60%018%0.178CC..EExtended strand (participates in β ladder)trans-109.8115.8171.700000111.1R218 H393 H394G212-R218 VanDerWaalsContact CA-NH1 3.26Å; G212-H393 PolarHBondContact O-N 3.32Å; G212-H394 PolarHBondContact N-O 3.12Å; G212-H394 PolarHBondContact O-N 3.08Å
213V88.3Confident80.5Confident4 Ų436.7 Ų36.72%0.02420%0.2CC..EExtended strand (participates in β ladder)trans-106161.9171.7-65.10000111I197 L211 D215 R218 L232 I252 L390I197-V213 HydrophobicContact CD1-CG1 4.25Å; L211-V213 HydrophobicContact CD2-CG1 4.28Å; L211-V213 HydrophobicContact CG-CG1 4.19Å; V213-D215 HydrophobicContact CG2-CB 4.15Å; V213-D215 PolarHBondContact O-N 3.04Å; V213-R218 PolarHBondContact O-NH1 3Å; V213-L232 HydrophobicContact CG2-CD1 4.5Å; V213-I252 HydrophobicContact CG2-CD1 4.28Å; V213-L390 HydrophobicContact CB-CD1 4.03Å; V213-L390 HydrophobicContact CG1-CD1 4.43Å
214N84.6Confident78.7Confident1 Ų145 Ų451%0.00523%0.232CC..  trans-80.948.5176.264.5-32.7000114.1K216 F219 K228 A229 V230 G389 L390 Q391 H393N214-K216 PolarHBondContact O-N 2.78Å; N214-F219 HydrophobicContact CB-CD2 4.27Å; N214-F219 HydrophobicContact CB-CE2 3.62Å; N214-K228 PolarHBondContact ND2-O 3.25Å; N214-A229 WeakPolarHBondContact O-CA 3.46Å; N214-V230 PolarHBondContact O-N 3.34Å; N214-G389 PolarHBondContact ND2-O 3.12Å; N214-L390 WeakPolarHBondContact OD1-CA 3.48Å; N214-L390 WeakPolarHBondContact OD1-CD1 3.48Å; N214-Q391 PolarHBondContact N-O 2.79Å; N214-Q391 PolarHBondContact OD1-N 3.36Å; N214-Q391 PolarHBondContact OD1-O 3.11Å; N214-H393 WeakPolarHBondContact CB-NE2 3.44Å
215D78.9Confident76.9Confident4 Ų451.4 Ų51.42%0.02127%0.265CS..BIsolated β-bridgetrans-65.6130.3174.4177.314.5000110.8V213 V217 R218 F219 V230 L232V213-D215 HydrophobicContact CG2-CB 4.15Å; V213-D215 PolarHBondContact O-N 3.04Å; D215-V217 VanDerWaalsContact C-N 3.32Å; D215-V217 PolarHBondContact O-N 3.31Å; D215-V217 PolarHBondContact OD1-N 3.18Å; D215-V217 VanDerWaalsContact OD1-N 3.15Å; D215-R218 HydrophobicContact CB-CB 4.15Å; D215-R218 WeakPolarHBondContact O-CB 3.24Å; D215-R218 PolarHBondContact O-N 3.19Å; D215-F219 WeakPolarHBondContact O-CD2 3.36Å; D215-F219 PolarHBondContact O-N 2.8Å; D215-V230 CarbonylContact C-O 3.55Å; D215-V230 WeakPolarHBondContact CA-O 3.13Å; D215-L232 HydrophobicContact CB-CD1 4.43Å
216K71.7Confident75.3Confident67 Ų6758 Ų5829%0.29129%0.289SS..Hα-helixtrans-57.3-43.2178.5-176.1179.4168.2-164.80112.1N214 R218 F219 E220 A229 V230 E231N214-K216 PolarHBondContact O-N 2.78Å; K216-R218 VanDerWaalsContact C-N 3.29Å; K216-R218 PolarHBondContact O-N 2.92Å; K216-F219 PolarHBondContact O-N 2.75Å; K216-F219 VanDerWaalsContact O-N 3.14Å; K216-E220 WeakPolarHBondContact CE-OE1 3.43Å; K216-E220 HydrophobicContact CG-CG 4.48Å; K216-E220 WeakPolarHBondContact O-CG 3.36Å; K216-E220 PolarHBondContact O-N 2.71Å; K216-A229 VanDerWaalsContact CA-CB 3.48Å; K216-A229 HydrophobicContact CB-CB 3.76Å; K216-A229 HydrophobicContact CG-CB 4.05Å; K216-V230 PolarHBondContact N-O 3.14Å; K216-E231 HydrophobicContact CB-CB 4.46Å; K216-E231 HydrophobicContact CD-CB 4.1Å; K216-E231 IonicContact NZ-OE2 3Å; K216-E231 PolarHBondContact NZ-OE2 3.13Å
217V65.6Low73.8Confident48 Ų4859.5 Ų59.529%0.29132%0.315SS..Hα-helixtrans-63.3-40-179.8-175.90000110.6D215 N221 R250D215-V217 VanDerWaalsContact C-N 3.32Å; D215-V217 PolarHBondContact O-N 3.31Å; D215-V217 PolarHBondContact OD1-N 3.18Å; D215-V217 VanDerWaalsContact OD1-N 3.15Å; V217-N221 PolarHBondContact O-N 3.27Å; V217-R250 HydrophobicContact CG1-CG 4.39Å
218R64.6Low72.7Confident35 Ų3567.2 Ų67.213%0.13235%0.349CS..Hα-helixtrans-64.4-43.5174.5-172.9-178.8-178-155.58.7112.2G212 V213 D215 K216 N221 I222 R250G212-R218 VanDerWaalsContact CA-NH1 3.26Å; V213-R218 PolarHBondContact O-NH1 3Å; D215-R218 HydrophobicContact CB-CB 4.15Å; D215-R218 WeakPolarHBondContact O-CB 3.24Å; D215-R218 PolarHBondContact O-N 3.19Å; K216-R218 VanDerWaalsContact C-N 3.29Å; K216-R218 PolarHBondContact O-N 2.92Å; R218-N221 PolarHBondContact O-N 3.14Å; R218-I222 HydrophobicContact CG-CD1 4Å; R218-I222 WeakPolarHBondContact O-CG1 3.16Å; R218-I222 PolarHBondContact O-N 3.23Å; R218-R250 HydrophobicContact CB-CB 3.66Å; R218-R250 HydrophobicContact CB-CG 4.24Å; R218-R250 HydrophobicContact CG-CB 3.89Å
219F63.8Low72Confident38 Ų3866.9 Ų66.917%0.16735%0.351CS..Hα-helixtrans-66.4-37.5-179.4-95.3-71000112.6N214 D215 K216 I222 G223 R224 A229 H393N214-F219 HydrophobicContact CB-CD2 4.27Å; N214-F219 HydrophobicContact CB-CE2 3.62Å; D215-F219 WeakPolarHBondContact O-CD2 3.36Å; D215-F219 PolarHBondContact O-N 2.8Å; K216-F219 PolarHBondContact O-N 2.75Å; K216-F219 VanDerWaalsContact O-N 3.14Å; F219-I222 PolarHBondContact O-N 3.01Å; F219-G223 PolarHBondContact O-N 3.05Å; F219-G223 VanDerWaalsContact O-N 3.11Å; F219-R224 HydrophobicContact CD1-CB 3.59Å; F219-R224 HydrophobicContact CE1-CB 3.89Å; F219-R224 PolarHBondContact O-N 2.9Å; F219-A229 HydrophobicContact CB-CB 4.09Å; F219-A229 HydrophobicContact CD2-CB 4.08Å; F219-A229 HydrophobicContact CG-CB 4.31Å; F219-H393 AromaticContact CE2-NE2 3.5Å; F219-H393 WeakPolarHBondContact CE2-NE2 3.42Å; F219-H393 AromaticContact CZ-NE2 3.36Å; F219-H393 WeakPolarHBondContact CZ-NE2 3.28Å
220E62.7Low71.4Confident97 Ų9767.2 Ų67.245%0.45335%0.354SS..Hα-helixtrans-63-42.7174.2-73.7-179.4169.200111.4K216 I222 G223K216-E220 WeakPolarHBondContact CE-OE1 3.43Å; K216-E220 HydrophobicContact CG-CG 4.48Å; K216-E220 WeakPolarHBondContact O-CG 3.36Å; K216-E220 PolarHBondContact O-N 2.71Å; E220-I222 PolarHBondContact O-N 2.95Å; E220-G223 PolarHBondContact O-N 2.84Å
221N63.8Low71Confident111 Ų11168 Ų6859%0.59436%0.361SS*.Hα-helixtrans-63.5-27176-72.1-8.3000113.8V217 R218V217-N221 PolarHBondContact O-N 3.27Å; R218-N221 PolarHBondContact O-N 3.14Å
222I66.3Low70.7Confident101 Ų10169.2 Ų69.252%0.51837%0.367SS..THydrogen-bonded Turntrans-96.2-2.9-179-59.1168.8000111.5R218 F219 E220 R224R218-I222 HydrophobicContact CG-CD1 4Å; R218-I222 WeakPolarHBondContact O-CG1 3.16Å; R218-I222 PolarHBondContact O-N 3.23Å; F219-I222 PolarHBondContact O-N 3.01Å; E220-I222 PolarHBondContact O-N 2.95Å; I222-R224 VanDerWaalsContact C-N 3.28Å; I222-R224 HydrophobicContact CG2-CG 4.34Å; I222-R224 PolarHBondContact O-N 3.19Å
223G60.3Low70.6Confident73 Ų7372.6 Ų72.675%0.75338%0.383SS*.THydrogen-bonded Turntrans65.526.8178.800000114.1F219 E220F219-G223 PolarHBondContact O-N 3.05Å; F219-G223 VanDerWaalsContact O-N 3.11Å; E220-G223 PolarHBondContact O-N 2.84Å
224R56.5Low70.6Confident175 Ų17577 Ų7766%0.6641%0.406SS*.  trans-98.7151.8179.1-86.6-172.3-173.1-165.82.8111.8F219 I222F219-R224 HydrophobicContact CD1-CB 3.59Å; F219-R224 HydrophobicContact CE1-CB 3.89Å; F219-R224 PolarHBondContact O-N 2.9Å; I222-R224 VanDerWaalsContact C-N 3.28Å; I222-R224 HydrophobicContact CG2-CG 4.34Å; I222-R224 PolarHBondContact O-N 3.19Å
225D54.4Low70.8Confident151 Ų15179 Ų7981%0.80742%0.419SS*.  trans-52.4134.3-168.3-149-5.8000114.6G227D225-G227 VanDerWaalsContact C-N 3.29Å; D225-G227 PolarHBondContact O-N 3.1Å
226K56.5Low71.4Confident153 Ų15385.8 Ų85.867%0.66545%0.448SS*.G310 helixtrans-71-15.9-166.9-67.7-173175.2-172.20114.9K228 A229K226-K228 PolarHBondContact O-N 3.28Å; K226-A229 PolarHBondContact O-N 2.68Å
227G59.2Low72.3Confident74 Ų7484.6 Ų84.676%0.76344%0.443SS*.G310 helixtrans-64.2-12-158.400000117.3D225D225-G227 VanDerWaalsContact C-N 3.29Å; D225-G227 PolarHBondContact O-N 3.1Å
228K69.1Low73.4Confident162 Ų16284.8 Ų84.870%0.70444%0.44SS*.G310 helixtrans-136.816.4-178.7-64.4-174.8-178.9173.30114.1N214 K226N214-K228 PolarHBondContact ND2-O 3.25Å; K226-K228 PolarHBondContact O-N 3.28Å
229A77Confident74.3Confident25 Ų2588.1 Ų88.121%0.20746%0.457CS..  trans-86.1142.6-176.700000110.7N214 K216 F219 K226N214-A229 WeakPolarHBondContact O-CA 3.46Å; K216-A229 VanDerWaalsContact CA-CB 3.48Å; K216-A229 HydrophobicContact CB-CB 3.76Å; K216-A229 HydrophobicContact CG-CB 4.05Å; F219-A229 HydrophobicContact CB-CB 4.09Å; F219-A229 HydrophobicContact CD2-CB 4.08Å; F219-A229 HydrophobicContact CG-CB 4.31Å; K226-A229 PolarHBondContact O-N 2.68Å
230V82.8Confident75.5Confident8 Ų886.4 Ų86.45%0.04845%0.45CS..BIsolated β-bridgetrans-113.7128-172.8179.90000109.4N214 D215 K216 L232 L268 S388N214-V230 PolarHBondContact O-N 3.34Å; D215-V230 CarbonylContact C-O 3.55Å; D215-V230 WeakPolarHBondContact CA-O 3.13Å; K216-V230 PolarHBondContact N-O 3.14Å; V230-L232 HydrophobicContact CG1-CD2 3.89Å; V230-L232 HydrophobicContact CG1-CG 4.49Å; V230-L268 HydrophobicContact CG1-CD2 3.34Å; V230-S388 WeakPolarHBondContact CG2-O 3.38Å
231E83.4Confident76.8Confident100 Ų10082.2 Ų82.247%0.46743%0.431SS..  trans-89107.9178.2-166.1160.8179.800109.3K216 L268K216-E231 HydrophobicContact CB-CB 4.46Å; K216-E231 HydrophobicContact CD-CB 4.1Å; K216-E231 IonicContact NZ-OE2 3Å; K216-E231 PolarHBondContact NZ-OE2 3.13Å; E231-L268 WeakPolarHBondContact O-CD2 3.36Å
232L86.6Confident77.9Confident27 Ų2781.2 Ų81.214%0.14142%0.419CS..  trans-92124.2-178.3-60.5176.6000110V213 D215 V230 V235 M264 Y266 L268 L390V213-L232 HydrophobicContact CG2-CD1 4.5Å; D215-L232 HydrophobicContact CB-CD1 4.43Å; V230-L232 HydrophobicContact CG1-CD2 3.89Å; V230-L232 HydrophobicContact CG1-CG 4.49Å; L232-V235 HydrophobicContact CB-CG2 3.77Å; L232-M264 HydrophobicContact CD1-CE 4.33Å; L232-Y266 HydrophobicContact CD2-CD2 3.57Å; L232-Y266 HydrophobicContact CD2-CE2 4.04Å; L232-Y266 HydrophobicContact CD2-CG 3.95Å; L232-L268 HydrophobicContact CD2-CD1 4.28Å; L232-L268 HydrophobicContact CD2-CG 4.47Å; L232-L390 HydrophobicContact CD1-CD1 4.27Å; L232-L390 HydrophobicContact CD2-CD1 4.21Å
233E87.3Confident78.8Confident71 Ų7180.8 Ų80.833%0.33242%0.417SS..EExtended strand (participates in β ladder)trans-108162.5176.6-62.4174.7-175.600110.8V235 R267 N269E233-V235 PolarHBondContact O-N 2.89Å; E233-R267 WeakPolarHBondContact CA-O 3.49Å; E233-R267 WeakPolarHBondContact CB-O 3.34Å; E233-R267 PolarHBondContact N-O 3.47Å; E233-R267 PolarHBondContact O-N 2.86Å; E233-N269 PolarHBondContact OE2-ND2 3.25Å
234D87Confident79.7Confident96 Ų9680.7 Ų80.751%0.51341%0.405SS..EExtended strand (participates in β ladder)trans46.739.7175.6-72.1-9.7000114.3K236 R267D234-K236 PolarHBondContact O-N 3.18Å; D234-R267 HydrophobicContact CB-CB 4.23Å; D234-R267 HydrophobicContact CB-CG 4.17Å; D234-R267 WeakPolarHBondContact OD2-CD 3.4Å; D234-R267 IonicContact OD2-CZ 3.62Å; D234-R267 IonicContact OD2-NE 3.78Å; D234-R267 IonicContact OD2-NH1 2.96Å; D234-R267 PolarHBondContact OD2-NH1 3Å; D234-R267 VanDerWaalsContact OD2-NH1 3.1Å
235V90.2Very high80.7Confident43 Ų4376.2 Ų76.226%0.26139%0.388SS..EExtended strand (participates in β ladder)trans-67.9122.9-175.5-178.10000110.6L232 E233 F237 M264 S265L232-V235 HydrophobicContact CB-CG2 3.77Å; E233-V235 PolarHBondContact O-N 2.89Å; V235-F237 HydrophobicContact CG1-CD2 4.06Å; V235-F237 HydrophobicContact CG1-CE1 4Å; V235-F237 HydrophobicContact CG1-CE2 3.49Å; V235-F237 VanDerWaalsContact CG1-CE2 3.49Å; V235-F237 HydrophobicContact CG1-CZ 3.45Å; V235-F237 VanDerWaalsContact CG1-CZ 3.45Å; V235-M264 HydrophobicContact CG1-CE 3.66Å; V235-S265 CarbonylContact C-O 3.59Å; V235-S265 WeakPolarHBondContact CA-O 3.21Å
236K90Very high82.1Confident146 Ų14670 Ų7064%0.63535%0.354SS*.EExtended strand (participates in β ladder)trans-114.6130.4173.2-64.4179.5-175.8178.60109D234 M264 S265D234-K236 PolarHBondContact O-N 3.18Å; K236-M264 CarbonylContact O-C 3.54Å; K236-M264 WeakPolarHBondContact O-CA 3.15Å; K236-M264 VanDerWaalsContact O-CB 3.29Å; K236-M264 WeakPolarHBondContact O-CB 3.46Å; K236-S265 PolarHBondContact N-O 2.97Å; K236-S265 PolarHBondContact O-N 3.41Å
237F91.9Very high83.2Confident43 Ų4369.4 Ų69.419%0.18935%0.354CS..EExtended strand (participates in β ladder)trans-107.3150.6177.2-68.7-71.9000111.4V235 V241 L243 F246 I252 M264V235-F237 HydrophobicContact CG1-CD2 4.06Å; V235-F237 HydrophobicContact CG1-CE1 4Å; V235-F237 HydrophobicContact CG1-CE2 3.49Å; V235-F237 VanDerWaalsContact CG1-CE2 3.49Å; V235-F237 HydrophobicContact CG1-CZ 3.45Å; V235-F237 VanDerWaalsContact CG1-CZ 3.45Å; F237-V241 HydrophobicContact CB-CB 3.95Å; F237-V241 HydrophobicContact CB-CG1 4.38Å; F237-V241 HydrophobicContact CB-CG2 4.01Å; F237-V241 HydrophobicContact CD1-CB 4.21Å; F237-V241 HydrophobicContact CD1-CG1 3.95Å; F237-V241 HydrophobicContact CD1-CG2 3.89Å; F237-V241 HydrophobicContact CE1-CG1 4.4Å; F237-V241 HydrophobicContact CG-CB 4.18Å; F237-V241 HydrophobicContact CG-CG1 4.07Å; F237-V241 HydrophobicContact CG-CG2 4.25Å; F237-L243 HydrophobicContact CB-CD2 4.17Å; F237-L243 HydrophobicContact CD2-CD2 3.63Å; F237-L243 HydrophobicContact CE2-CD2 4.41Å; F237-L243 HydrophobicContact CG-CD2 4.19Å; F237-F246 AromaticContact CE2-CD1 3.63Å; F237-F246 HydrophobicContact CE2-CD1 3.63Å; F237-F246 HydrophobicContact CE2-CD2 4.34Å; F237-F246 AromaticContact CE2-CE1 3.6Å; F237-F246 HydrophobicContact CE2-CE1 3.6Å; F237-F246 HydrophobicContact CE2-CE2 4.34Å; F237-F246 HydrophobicContact CE2-CG 4Å; F237-F246 AromaticContact CE2-CZ 3.98Å; F237-F246 HydrophobicContact CE2-CZ 3.98Å; F237-F246 AromaticContact CZ-CD1 3.96Å; F237-F246 HydrophobicContact CZ-CD1 3.96Å; F237-F246 AromaticContact CZ-CD2 3.83Å; F237-F246 HydrophobicContact CZ-CD2 3.83Å; F237-F246 AromaticContact CZ-CE1 3.81Å; F237-F246 HydrophobicContact CZ-CE1 3.81Å; F237-F246 AromaticContact CZ-CE2 3.7Å; F237-F246 HydrophobicContact CZ-CE2 3.7Å; F237-F246 AromaticContact CZ-CG 3.96Å; F237-F246 HydrophobicContact CZ-CG 3.96Å; F237-F246 AromaticContact CZ-CZ 3.68Å; F237-F246 HydrophobicContact CZ-CZ 3.68Å; F237-I252 HydrophobicContact CE1-CD1 3.99Å; F237-I252 HydrophobicContact CE1-CG1 3.98Å; F237-I252 HydrophobicContact CE1-CG2 4.22Å; F237-I252 HydrophobicContact CZ-CD1 4.48Å; F237-I252 HydrophobicContact CZ-CG1 4.3Å; F237-M264 HydrophobicContact CD1-CB 3.72Å; F237-M264 HydrophobicContact CE1-CB 3.96Å; F237-M264 HydrophobicContact CE1-CE 4.13Å; F237-M264 HydrophobicContact CE1-SD 3.9Å; F237-M264 HydrophobicContact CZ-CE 4.49Å
238H87.9Confident84Confident51 Ų5172.2 Ų72.224%0.23635%0.351CS..  trans-61.4147.6159.8-165.1-84.1000109.9C240 V241 F261 E262 L263H238-C240 PolarHBondContact ND1-N 2.76Å; H238-C240 PolarHBondContact ND1-SG 2.89Å; H238-C240 PolarHBondContact O-N 2.9Å; H238-V241 PolarHBondContact O-N 2.62Å; H238-F261 HydrophobicContact CB-CD2 4.48Å; H238-F261 HydrophobicContact CB-CE2 4.49Å; H238-F261 AromaticContact CD2-CD2 3.87Å; H238-E262 WeakPolarHBondContact CB-O 3.45Å; H238-E262 PolarHBondContact CD2-O 2.84Å; H238-L263 PolarHBondContact N-O 2.81Å
239Q84.6Confident84.4Confident105 Ų10568.4 Ų68.449%0.49134%0.338SS..THydrogen-bonded Turntrans-56.1-13.6177.464.5179.70.800114.8D127 W158 V241D127-Q239 PolarHBondContact OD2-NE2 2.81Å; W158-Q239 HydrophobicContact CE3-CG 4.13Å; W158-Q239 HydrophobicContact CZ3-CG 4.42Å; Q239-V241 PolarHBondContact O-N 3.04Å
240C88.8Confident84.4Confident3 Ų370.8 Ų70.82%0.0234%0.342CS..THydrogen-bonded Turntrans-77.3-11.9-179.867.30000113.3W158 H238 F254 I255W158-C240 HydrophobicContact CD2-CB 4.04Å; W158-C240 HydrophobicContact CG-CB 4.44Å; W158-C240 HydrophobicContact CH2-CB 4.38Å; W158-C240 HydrophobicContact CZ2-CB 3.61Å; H238-C240 PolarHBondContact ND1-N 2.76Å; H238-C240 PolarHBondContact ND1-SG 2.89Å; H238-C240 PolarHBondContact O-N 2.9Å; C240-F254 HydrophobicContact CB-CB 4.41Å; C240-F254 VanDerWaalsContact O-CA 3.29Å; C240-F254 WeakPolarHBondContact O-CA 3.46Å; C240-F254 WeakPolarHBondContact O-CB 3.41Å; C240-I255 WeakPolarHBondContact CB-O 3.36Å
241V90.1Very high84.4Confident8 Ų871.3 Ų71.35%0.04835%0.345CS..BIsolated β-bridgetrans-84.3129.6-178.8-1780000111F237 H238 Q239 L243 I252 F254 L263F237-V241 HydrophobicContact CB-CB 3.95Å; F237-V241 HydrophobicContact CB-CG1 4.38Å; F237-V241 HydrophobicContact CB-CG2 4.01Å; F237-V241 HydrophobicContact CD1-CB 4.21Å; F237-V241 HydrophobicContact CD1-CG1 3.95Å; F237-V241 HydrophobicContact CD1-CG2 3.89Å; F237-V241 HydrophobicContact CE1-CG1 4.4Å; F237-V241 HydrophobicContact CG-CB 4.18Å; F237-V241 HydrophobicContact CG-CG1 4.07Å; F237-V241 HydrophobicContact CG-CG2 4.25Å; H238-V241 PolarHBondContact O-N 2.62Å; Q239-V241 PolarHBondContact O-N 3.04Å; V241-L243 PolarHBondContact O-N 3.48Å; V241-I252 HydrophobicContact CG1-CG2 4.04Å; V241-I252 HydrophobicContact CG2-CG2 4.24Å; V241-F254 HydrophobicContact CG2-CB 4.14Å; V241-F254 HydrophobicContact CG2-CG 4.48Å; V241-L263 HydrophobicContact CG2-CD1 3.48Å; V241-L263 VanDerWaalsContact CG2-CD1 3.48Å
242R86.5Confident84.7Confident90 Ų9066.6 Ų66.634%0.3432%0.323SS..  trans-7790.8173.9-65-178.6177.4156.6-0.7110E208 S244 R245 F246 S253E208-R242 IonicContact OE1-NH1 2.69Å; E208-R242 IonicContact OE2-CZ 2.71Å; E208-R242 IonicContact OE2-NH1 3.72Å; E208-R242 PolarHBondContact OE2-NH1 3.16Å; E208-R242 IonicContact OE2-NH2 3.94Å; R242-S244 PolarHBondContact O-N 3.44Å; R242-R245 PolarHBondContact O-N 2.95Å; R242-R245 VanDerWaalsContact O-N 3.08Å; R242-F246 PolarHBondContact O-N 3.29Å; R242-S253 PolarHBondContact N-O 2.94Å
243L84.2Confident85Confident92 Ų9265.3 Ų65.348%0.48232%0.317SS..Hα-helixtrans-54.7-37.5-177.6-61.3179.2000113F237 V241 R245 F246 E247F237-L243 HydrophobicContact CB-CD2 4.17Å; F237-L243 HydrophobicContact CD2-CD2 3.63Å; F237-L243 HydrophobicContact CE2-CD2 4.41Å; F237-L243 HydrophobicContact CG-CD2 4.19Å; V241-L243 PolarHBondContact O-N 3.48Å; L243-R245 VanDerWaalsContact C-N 3.29Å; L243-R245 PolarHBondContact O-N 2.91Å; L243-F246 WeakPolarHBondContact O-CB 3.16Å; L243-F246 PolarHBondContact O-N 2.93Å; L243-E247 WeakPolarHBondContact O-CG 3.28Å; L243-E247 PolarHBondContact O-N 2.94Å
244S79.7Confident85.3Confident71 Ų7161.9 Ų61.950%0.49730%0.301SS..Hα-helixtrans-59.4-34.1178590000113.9R242 N248R242-S244 PolarHBondContact O-N 3.44Å; S244-N248 WeakPolarHBondContact O-CB 3.45Å; S244-N248 PolarHBondContact O-N 2.84Å; S244-N248 PolarHBondContact O-ND2 3.37Å
245R78.9Confident85.6Confident82 Ų8258.1 Ų58.131%0.30928%0.28SS..Hα-helixtrans-72.8-41.9174.1-72.4-166.9179.6171.20.8111.1E208 R242 L243 E247 N248 D249 S253E208-R245 IonicContact OE1-CZ 2.67Å; E208-R245 IonicContact OE1-NH1 3.81Å; E208-R245 PolarHBondContact OE1-NH1 2.83Å; E208-R245 IonicContact OE2-NH1 2.79Å; R242-R245 PolarHBondContact O-N 2.95Å; R242-R245 VanDerWaalsContact O-N 3.08Å; L243-R245 VanDerWaalsContact C-N 3.29Å; L243-R245 PolarHBondContact O-N 2.91Å; R245-E247 VanDerWaalsContact C-N 3.32Å; R245-E247 PolarHBondContact O-N 3.11Å; R245-N248 PolarHBondContact O-N 2.91Å; R245-D249 PolarHBondContact O-N 2.97Å; R245-S253 PolarHBondContact NH1-OG 3.08Å
246F83.5Confident85.7Confident20 Ų2056.1 Ų56.19%0.08827%0.268CS..Hα-helixtrans-61.7-40177.8-178.1-103.7000112.2F237 R242 L243 N248 R250 I252F237-F246 AromaticContact CE2-CD1 3.63Å; F237-F246 HydrophobicContact CE2-CD1 3.63Å; F237-F246 HydrophobicContact CE2-CD2 4.34Å; F237-F246 AromaticContact CE2-CE1 3.6Å; F237-F246 HydrophobicContact CE2-CE1 3.6Å; F237-F246 HydrophobicContact CE2-CE2 4.34Å; F237-F246 HydrophobicContact CE2-CG 4Å; F237-F246 AromaticContact CE2-CZ 3.98Å; F237-F246 HydrophobicContact CE2-CZ 3.98Å; F237-F246 AromaticContact CZ-CD1 3.96Å; F237-F246 HydrophobicContact CZ-CD1 3.96Å; F237-F246 AromaticContact CZ-CD2 3.83Å; F237-F246 HydrophobicContact CZ-CD2 3.83Å; F237-F246 AromaticContact CZ-CE1 3.81Å; F237-F246 HydrophobicContact CZ-CE1 3.81Å; F237-F246 AromaticContact CZ-CE2 3.7Å; F237-F246 HydrophobicContact CZ-CE2 3.7Å; F237-F246 AromaticContact CZ-CG 3.96Å; F237-F246 HydrophobicContact CZ-CG 3.96Å; F237-F246 AromaticContact CZ-CZ 3.68Å; F237-F246 HydrophobicContact CZ-CZ 3.68Å; R242-F246 PolarHBondContact O-N 3.29Å; L243-F246 WeakPolarHBondContact O-CB 3.16Å; L243-F246 PolarHBondContact O-N 2.93Å; F246-N248 VanDerWaalsContact C-N 3.34Å; F246-N248 PolarHBondContact O-N 3.18Å; F246-R250 HydrophobicContact CE2-CB 4.41Å; F246-R250 WeakPolarHBondContact O-CA 3.45Å; F246-R250 WeakPolarHBondContact O-CD 3.36Å; F246-R250 PolarHBondContact O-N 2.72Å; F246-I252 HydrophobicContact CD2-CG1 3.86Å; F246-I252 HydrophobicContact CE2-CG1 4.12Å
247E79.2Confident85.7Confident140 Ų14049.3 Ų49.365%0.65424%0.239SC*.Hα-helixtrans-64.9-37175.9-71.5170.6176.100112.6L243 R245L243-E247 WeakPolarHBondContact O-CG 3.28Å; L243-E247 PolarHBondContact O-N 2.94Å; R245-E247 VanDerWaalsContact C-N 3.32Å; R245-E247 PolarHBondContact O-N 3.11Å
248N76.1Confident85.5Confident134 Ų13449.5 Ų49.572%0.71724%0.242SC*.Hα-helixtrans-78.6-51.3-177.1-72.3-28.7000113.6S244 R245 F246S244-N248 WeakPolarHBondContact O-CB 3.45Å; S244-N248 PolarHBondContact O-N 2.84Å; S244-N248 PolarHBondContact O-ND2 3.37Å; R245-N248 PolarHBondContact O-N 2.91Å; F246-N248 VanDerWaalsContact C-N 3.34Å; F246-N248 PolarHBondContact O-N 3.18Å
249D76.5Confident85.7Confident81 Ų8147.8 Ų47.843%0.43324%0.238SC..Hα-helixtrans-128.67-171.473.46.6000114.1R245 T251R245-D249 PolarHBondContact O-N 2.97Å; D249-T251 PolarHBondContact O-N 2.82Å; D249-T251 VanDerWaalsContact O-N 3.14Å; D249-T251 WeakPolarHBondContact OD1-CA 3.33Å; D249-T251 WeakPolarHBondContact OD1-CB 3.43Å; D249-T251 PolarHBondContact OD1-N 2.81Å; D249-T251 PolarHBondContact OD1-OG1 2.99Å; D249-T251 PolarHBondContact OD2-OG1 3Å
250R77.5Confident86Confident75 Ų7548.2 Ų48.228%0.28324%0.24SC..  trans56.222.9-176-60.4-74.1179174.73.4113.5V217 R218 F246V217-R250 HydrophobicContact CG1-CG 4.39Å; R218-R250 HydrophobicContact CB-CB 3.66Å; R218-R250 HydrophobicContact CB-CG 4.24Å; R218-R250 HydrophobicContact CG-CB 3.89Å; F246-R250 HydrophobicContact CE2-CB 4.41Å; F246-R250 WeakPolarHBondContact O-CA 3.45Å; F246-R250 WeakPolarHBondContact O-CD 3.36Å; F246-R250 PolarHBondContact O-N 2.72Å
251T81.8Confident86.2Confident19 Ų1949.2 Ų49.212%0.11724%0.244CC..  trans-87.3122.8172.8-55.10000110.2R210 D249 S253R210-T251 HydrophobicContact CB-CG2 4.33Å; D249-T251 PolarHBondContact O-N 2.82Å; D249-T251 VanDerWaalsContact O-N 3.14Å; D249-T251 WeakPolarHBondContact OD1-CA 3.33Å; D249-T251 WeakPolarHBondContact OD1-CB 3.43Å; D249-T251 PolarHBondContact OD1-N 2.81Å; D249-T251 PolarHBondContact OD1-OG1 2.99Å; D249-T251 PolarHBondContact OD2-OG1 3Å; T251-S253 PolarHBondContact O-N 2.78Å
252I90.9Very high86.4Confident1 Ų152.5 Ų52.51%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-82.8103.6175.9-57166.8000107.6R210 L211 V213 F237 V241 F246 F254 L263 M264R210-I252 WeakPolarHBondContact CA-O 3.45Å; L211-I252 HydrophobicContact CB-CB 4.19Å; L211-I252 HydrophobicContact CB-CG2 4.49Å; L211-I252 HydrophobicContact CD2-CD1 4.31Å; L211-I252 PolarHBondContact N-O 2.85Å; L211-I252 PolarHBondContact O-N 2.88Å; V213-I252 HydrophobicContact CG2-CD1 4.28Å; F237-I252 HydrophobicContact CE1-CD1 3.99Å; F237-I252 HydrophobicContact CE1-CG1 3.98Å; F237-I252 HydrophobicContact CE1-CG2 4.22Å; F237-I252 HydrophobicContact CZ-CD1 4.48Å; F237-I252 HydrophobicContact CZ-CG1 4.3Å; V241-I252 HydrophobicContact CG1-CG2 4.04Å; V241-I252 HydrophobicContact CG2-CG2 4.24Å; F246-I252 HydrophobicContact CD2-CG1 3.86Å; F246-I252 HydrophobicContact CE2-CG1 4.12Å; I252-F254 HydrophobicContact CG2-CD1 3.88Å; I252-F254 HydrophobicContact CG2-CE1 3.98Å; I252-L263 HydrophobicContact CG2-CD2 4.32Å; I252-M264 HydrophobicContact CD1-SD 3.65Å
253S92.4Very high86.8Confident0 Ų048.2 Ų48.20%024%0.243CC..EExtended strand (participates in β ladder)trans-119127.9-178.1-177.60000110.5E208 L209 R242 R245 T251E208-S253 PolarHBondContact OE1-OG 2.96Å; L209-S253 WeakPolarHBondContact O-CA 3.47Å; R242-S253 PolarHBondContact N-O 2.94Å; R245-S253 PolarHBondContact NH1-OG 3.08Å; T251-S253 PolarHBondContact O-N 2.78Å
254F94Very high87.4Confident0 Ų044 Ų440%022%0.221CC..EExtended strand (participates in β ladder)trans-156.5158.1-172.756.6-78000111.8L199 L209 L211 C240 V241 I252 P256 F261 L263L199-F254 HydrophobicContact CD2-CE2 3.89Å; L199-F254 HydrophobicContact CD2-CZ 3.88Å; L209-F254 HydrophobicContact CB-CD1 4.42Å; L209-F254 HydrophobicContact CB-CD2 4.3Å; L209-F254 HydrophobicContact CB-CE1 4.04Å; L209-F254 HydrophobicContact CB-CE2 3.91Å; L209-F254 HydrophobicContact CB-CZ 3.76Å; L209-F254 HydrophobicContact CD1-CE2 3.84Å; L209-F254 HydrophobicContact CD1-CZ 4.03Å; L209-F254 HydrophobicContact CG-CE2 4.31Å; L209-F254 HydrophobicContact CG-CZ 4.48Å; L209-F254 PolarHBondContact N-O 2.77Å; L209-F254 PolarHBondContact O-N 3.17Å; L211-F254 HydrophobicContact CB-CE1 4.16Å; C240-F254 HydrophobicContact CB-CB 4.41Å; C240-F254 VanDerWaalsContact O-CA 3.29Å; C240-F254 WeakPolarHBondContact O-CA 3.46Å; C240-F254 WeakPolarHBondContact O-CB 3.41Å; V241-F254 HydrophobicContact CG2-CB 4.14Å; V241-F254 HydrophobicContact CG2-CG 4.48Å; I252-F254 HydrophobicContact CG2-CD1 3.88Å; I252-F254 HydrophobicContact CG2-CE1 3.98Å; F254-P256 HydrophobicContact CD2-CB 4.02Å; F254-P256 HydrophobicContact CE2-CB 3.95Å; F254-F261 HydrophobicContact CD2-CZ 4.47Å; F254-F261 HydrophobicContact CE2-CZ 4.14Å; F254-L263 HydrophobicContact CD1-CD1 3.8Å; F254-L263 HydrophobicContact CD1-CD2 4.45Å; F254-L263 HydrophobicContact CD2-CD1 3.81Å; F254-L263 HydrophobicContact CE1-CD1 3.76Å; F254-L263 HydrophobicContact CE1-CD2 3.63Å; F254-L263 HydrophobicContact CE1-CG 4.36Å; F254-L263 HydrophobicContact CE2-CD1 3.75Å; F254-L263 HydrophobicContact CE2-CD2 4.27Å; F254-L263 HydrophobicContact CG-CD1 3.84Å; F254-L263 HydrophobicContact CZ-CD1 3.73Å; F254-L263 HydrophobicContact CZ-CD2 3.52Å; F254-L263 HydrophobicContact CZ-CG 4.26Å
255I92.3Very high88.1Confident17 Ų1742 Ų429%0.08721%0.207CC..  trans-101.7114.6163.2-66.6165.1000105.6V156 W158 R159 M206 P207 C240V156-I255 HydrophobicContact CG1-CB 4.23Å; V156-I255 HydrophobicContact CG1-CD1 4.41Å; V156-I255 HydrophobicContact CG1-CG2 3.96Å; V156-I255 HydrophobicContact CG2-CD1 3.69Å; W158-I255 PolarHBondContact NE1-O 2.85Å; R159-I255 HydrophobicContact CB-CG2 4.47Å; M206-I255 HydrophobicContact CE-CG2 4.22Å; P207-I255 WeakPolarHBondContact O-CA 3.39Å; C240-I255 WeakPolarHBondContact CB-O 3.36Å
256P92.8Very high88.9Confident0 Ų038.1 Ų38.10%019%0.192CC..PPolyproline II helixtrans-74.8142.1-171.727.9-34.5000112.8R159 V201 P207 L209 F254 F261R159-P256 WeakPolarHBondContact CD-O 3.47Å; R159-P256 PolarHBondContact NH1-O 2.89Å; V201-P256 HydrophobicContact CB-CB 4.35Å; V201-P256 HydrophobicContact CB-CG 4.49Å; V201-P256 HydrophobicContact CG1-CB 4.12Å; V201-P256 HydrophobicContact CG1-CG 3.74Å; V201-P256 HydrophobicContact CG2-CB 3.83Å; V201-P256 HydrophobicContact CG2-CG 4.27Å; P207-P256 HydrophobicContact CG-CG 4.35Å; P207-P256 VanDerWaalsContact O-CD 3.28Å; P207-P256 WeakPolarHBondContact O-CD 3.36Å; L209-P256 HydrophobicContact CD1-CB 4.32Å; L209-P256 HydrophobicContact CD1-CG 3.76Å; L209-P256 HydrophobicContact CG-CG 3.99Å; F254-P256 HydrophobicContact CD2-CB 4.02Å; F254-P256 HydrophobicContact CE2-CB 3.95Å; P256-F261 HydrophobicContact CB-CE1 3.74Å; P256-F261 HydrophobicContact CB-CZ 3.77Å
257P90.2Very high89.4Confident4 Ų441.8 Ų41.83%0.02621%0.205CC..PPolyproline II helixtrans-50.9155.4159-23.232.5000111.9W158 F261W158-P257 HydrophobicContact CB-CG 4.31Å; W158-P257 HydrophobicContact CG-CG 4.2Å; P257-F261 HydrophobicContact CB-CD1 4.15Å; P257-F261 HydrophobicContact CB-CG 4.3Å; P257-F261 HydrophobicContact CG-CD1 4.19Å; P257-F261 HydrophobicContact CG-CD2 4.08Å; P257-F261 HydrophobicContact CG-CE1 4.43Å; P257-F261 HydrophobicContact CG-CE2 4.33Å; P257-F261 HydrophobicContact CG-CG 4.02Å
258D87.9Confident89.9Confident46 Ų4635.2 Ų35.225%0.24618%0.175CC..SBendtrans-77.6140.9173.3-162.354.7000111.5R159 Y165R159-D258 IonicContact NH1-OD1 3.69Å; Y165-D258 VanDerWaalsContact CE2-OD1 3.25Å; Y165-D258 WeakPolarHBondContact CE2-OD1 3.37Å; Y165-D258 PolarHBondContact OH-OD1 3.1Å; Y165-D258 VanDerWaalsContact OH-OD1 3.08Å; Y165-D258 PolarHBondContact OH-OD2 3.28Å
259G91.3Very high90.4Very high15 Ų1533.3 Ų33.316%0.15516%0.164CC..EExtended strand (participates in β ladder)trans82.4-145.8-179.500000114.3R200 V201R200-G259 WeakPolarHBondContact CA-O 3.23Å; V201-G259 PolarHBondContact N-O 2.93Å; V201-G259 PolarHBondContact O-N 3.36Å
260E92.5Very high90.6Very high114 Ų11432.8 Ų32.853%0.53316%0.164SC..EExtended strand (participates in β ladder)trans-88.6132.6-176.7-46.2-158.2-178.700111.6L199 R200L199-E260 CarbonylContact O-C 3.48Å; L199-E260 VanDerWaalsContact O-CA 3.29Å; L199-E260 WeakPolarHBondContact O-CA 3.02Å; R200-E260 HydrophobicContact CB-CG 4.35Å; R200-E260 WeakPolarHBondContact CD-OE1 3.4Å; R200-E260 HydrophobicContact CG-CB 4.34Å; R200-E260 HydrophobicContact CG-CG 3.77Å; R200-E260 VanDerWaalsContact CZ-CD 3.45Å; R200-E260 IonicContact CZ-OE1 3.02Å; R200-E260 IonicContact CZ-OE2 2.88Å; R200-E260 VanDerWaalsContact CZ-OE2 3.32Å; R200-E260 IonicContact NE-OE1 3.99Å; R200-E260 PolarHBondContact NE-OE1 3.34Å; R200-E260 IonicContact NE-OE2 3.42Å; R200-E260 PolarHBondContact NE-OE2 3.26Å; R200-E260 IonicContact NH1-OE1 2.73Å; R200-E260 VanDerWaalsContact NH2-CD 3.32Å; R200-E260 IonicContact NH2-OE1 3.91Å; R200-E260 PolarHBondContact NH2-OE1 3.27Å; R200-E260 IonicContact NH2-OE2 3.07Å; R200-E260 PolarHBondContact NH2-OE2 2.73Å
261F91.5Very high90.8Very high24 Ų2437.3 Ų37.311%0.10519%0.188CC..EExtended strand (participates in β ladder)trans-157.2160170.674.2-76000111.8L199 V201 H238 F254 P256 P257 L263L199-F261 HydrophobicContact CB-CD1 4.3Å; L199-F261 HydrophobicContact CB-CE1 3.76Å; L199-F261 HydrophobicContact CB-CZ 4.12Å; L199-F261 HydrophobicContact CD2-CE1 4.47Å; L199-F261 HydrophobicContact CD2-CZ 4.29Å; L199-F261 PolarHBondContact N-O 2.78Å; L199-F261 PolarHBondContact O-N 2.83Å; V201-F261 HydrophobicContact CG2-CE1 3.79Å; H238-F261 HydrophobicContact CB-CD2 4.48Å; H238-F261 HydrophobicContact CB-CE2 4.49Å; H238-F261 AromaticContact CD2-CD2 3.87Å; F254-F261 HydrophobicContact CD2-CZ 4.47Å; F254-F261 HydrophobicContact CE2-CZ 4.14Å; P256-F261 HydrophobicContact CB-CE1 3.74Å; P256-F261 HydrophobicContact CB-CZ 3.77Å; P257-F261 HydrophobicContact CB-CD1 4.15Å; P257-F261 HydrophobicContact CB-CG 4.3Å; P257-F261 HydrophobicContact CG-CD1 4.19Å; P257-F261 HydrophobicContact CG-CD2 4.08Å; P257-F261 HydrophobicContact CG-CE1 4.43Å; P257-F261 HydrophobicContact CG-CE2 4.33Å; P257-F261 HydrophobicContact CG-CG 4.02Å; F261-L263 HydrophobicContact CE2-CB 3.94Å; F261-L263 HydrophobicContact CE2-CD1 4.17Å; F261-L263 HydrophobicContact CZ-CB 4.46Å
262E95.3Very high91Very high78 Ų7837.5 Ų37.536%0.36419%0.19SC..EExtended strand (participates in β ladder)trans-87.9118.7170.1-175.3170.9116.300109.8S196 H238 S265S196-E262 VanDerWaalsContact CB-CD 3.47Å; S196-E262 VanDerWaalsContact CB-OE2 3.26Å; S196-E262 WeakPolarHBondContact CB-OE2 3.45Å; S196-E262 PolarHBondContact OG-OE2 2.86Å; S196-E262 VanDerWaalsContact OG-OE2 3.04Å; H238-E262 WeakPolarHBondContact CB-O 3.45Å; H238-E262 PolarHBondContact CD2-O 2.84Å; E262-S265 WeakPolarHBondContact OE1-CB 3.23Å; E262-S265 PolarHBondContact OE1-OG 2.89Å; E262-S265 VanDerWaalsContact OE1-OG 3.13Å
263L95.5Very high90.9Very high0 Ų045.8 Ų45.80%023%0.225CC..EExtended strand (participates in β ladder)trans-78.5-43.5178.8169.869.2000111.9I197 L199 L211 H238 V241 I252 F254 F261I197-L263 HydrophobicContact CG2-CD2 4.44Å; I197-L263 PolarHBondContact O-N 3.24Å; L199-L263 HydrophobicContact CD1-CB 3.57Å; L199-L263 HydrophobicContact CD1-CD2 3.79Å; L199-L263 HydrophobicContact CD1-CG 4.31Å; L211-L263 HydrophobicContact CD2-CD2 3.69Å; H238-L263 PolarHBondContact N-O 2.81Å; V241-L263 HydrophobicContact CG2-CD1 3.48Å; V241-L263 VanDerWaalsContact CG2-CD1 3.48Å; I252-L263 HydrophobicContact CG2-CD2 4.32Å; F254-L263 HydrophobicContact CD1-CD1 3.8Å; F254-L263 HydrophobicContact CD1-CD2 4.45Å; F254-L263 HydrophobicContact CD2-CD1 3.81Å; F254-L263 HydrophobicContact CE1-CD1 3.76Å; F254-L263 HydrophobicContact CE1-CD2 3.63Å; F254-L263 HydrophobicContact CE1-CG 4.36Å; F254-L263 HydrophobicContact CE2-CD1 3.75Å; F254-L263 HydrophobicContact CE2-CD2 4.27Å; F254-L263 HydrophobicContact CG-CD1 3.84Å; F254-L263 HydrophobicContact CZ-CD1 3.73Å; F254-L263 HydrophobicContact CZ-CD2 3.52Å; F254-L263 HydrophobicContact CZ-CG 4.26Å; F261-L263 HydrophobicContact CE2-CB 3.94Å; F261-L263 HydrophobicContact CE2-CD1 4.17Å; F261-L263 HydrophobicContact CZ-CB 4.46Å
264M94.9Very high90.9Very high3 Ų346.3 Ų46.32%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-155153.1178.463-179.2-69.700111.9S196 I197 L232 V235 K236 F237 I252 Y266S196-M264 CarbonylContact C-O 3.56Å; S196-M264 WeakPolarHBondContact CA-O 3.2Å; S196-M264 VanDerWaalsContact CB-O 3.32Å; S196-M264 WeakPolarHBondContact CB-O 3.34Å; I197-M264 HydrophobicContact CB-CG 3.84Å; I197-M264 HydrophobicContact CD1-CG 3.89Å; I197-M264 HydrophobicContact CD1-SD 3.62Å; I197-M264 HydrophobicContact CG1-CG 3.79Å; I197-M264 HydrophobicContact CG1-SD 4.2Å; I197-M264 PolarHBondContact N-O 2.81Å; L232-M264 HydrophobicContact CD1-CE 4.33Å; V235-M264 HydrophobicContact CG1-CE 3.66Å; K236-M264 CarbonylContact O-C 3.54Å; K236-M264 WeakPolarHBondContact O-CA 3.15Å; K236-M264 VanDerWaalsContact O-CB 3.29Å; K236-M264 WeakPolarHBondContact O-CB 3.46Å; F237-M264 HydrophobicContact CD1-CB 3.72Å; F237-M264 HydrophobicContact CE1-CB 3.96Å; F237-M264 HydrophobicContact CE1-CE 4.13Å; F237-M264 HydrophobicContact CE1-SD 3.9Å; F237-M264 HydrophobicContact CZ-CE 4.49Å; I252-M264 HydrophobicContact CD1-SD 3.65Å; M264-Y266 HydrophobicContact CE-CD1 3.97Å
265S95.3Very high90.9Very high29 Ų2946.8 Ų46.820%0.20323%0.231CC..EExtended strand (participates in β ladder)trans-121.2153.9163.233.40000110.1G195 V235 K236 E262G195-S265 CarbonylContact O-C 3.55Å; G195-S265 VanDerWaalsContact O-CA 3.26Å; G195-S265 WeakPolarHBondContact O-CA 3.34Å; V235-S265 CarbonylContact C-O 3.59Å; V235-S265 WeakPolarHBondContact CA-O 3.21Å; K236-S265 PolarHBondContact N-O 2.97Å; K236-S265 PolarHBondContact O-N 3.41Å; E262-S265 WeakPolarHBondContact OE1-CB 3.23Å; E262-S265 PolarHBondContact OE1-OG 2.89Å; E262-S265 VanDerWaalsContact OE1-OG 3.13Å
266Y94.6Very high91.1Very high1 Ų146 Ų460%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-152.4161.9-176.557.5-89.5000109.7V174 E176 G195 I197 L232 M264 L268 L390V174-Y266 WeakPolarHBondContact CG1-OH 3.38Å; E176-Y266 WeakPolarHBondContact CG-OH 3.28Å; E176-Y266 PolarHBondContact OE1-OH 2.97Å; G195-Y266 PolarHBondContact N-O 2.63Å; G195-Y266 WeakPolarHBondContact O-CD1 3.45Å; G195-Y266 PolarHBondContact O-N 2.62Å; I197-Y266 HydrophobicContact CG1-CE1 4.06Å; L232-Y266 HydrophobicContact CD2-CD2 3.57Å; L232-Y266 HydrophobicContact CD2-CE2 4.04Å; L232-Y266 HydrophobicContact CD2-CG 3.95Å; M264-Y266 HydrophobicContact CE-CD1 3.97Å; Y266-L268 HydrophobicContact CD2-CD1 3.46Å; Y266-L268 VanDerWaalsContact CD2-CD1 3.46Å; Y266-L268 HydrophobicContact CE2-CD1 3.53Å; Y266-L390 HydrophobicContact CE1-CD2 3.79Å; Y266-L390 HydrophobicContact CE2-CD2 4.15Å; Y266-L390 VanDerWaalsContact CZ-CD2 3.44Å; Y266-L390 WeakPolarHBondContact OH-CD2 3.32Å
267R94.2Very high91.3Very high96 Ų9648.1 Ų48.136%0.36224%0.235SC..EExtended strand (participates in β ladder)trans-127.9153.6176-60.7170.379.3-176.47109.6E192 I193 V194 E233 D234E192-R267 IonicContact OE1-CZ 2.74Å; E192-R267 IonicContact OE1-NE 2.79Å; E192-R267 PolarHBondContact OE1-NE 2.96Å; E192-R267 IonicContact OE1-NH2 3.59Å; E192-R267 PolarHBondContact OE1-NH2 3.27Å; E192-R267 IonicContact OE2-NH2 2.98Å; I193-R267 CarbonylContact O-C 3.59Å; I193-R267 VanDerWaalsContact O-CA 3.24Å; I193-R267 WeakPolarHBondContact O-CA 3.4Å; V194-R267 HydrophobicContact CG2-CG 4.42Å; E233-R267 WeakPolarHBondContact CA-O 3.49Å; E233-R267 WeakPolarHBondContact CB-O 3.34Å; E233-R267 PolarHBondContact N-O 3.47Å; E233-R267 PolarHBondContact O-N 2.86Å; D234-R267 HydrophobicContact CB-CB 4.23Å; D234-R267 HydrophobicContact CB-CG 4.17Å; D234-R267 WeakPolarHBondContact OD2-CD 3.4Å; D234-R267 IonicContact OD2-CZ 3.62Å; D234-R267 IonicContact OD2-NE 3.78Å; D234-R267 IonicContact OD2-NH1 2.96Å; D234-R267 PolarHBondContact OD2-NH1 3Å; D234-R267 VanDerWaalsContact OD2-NH1 3.1Å
268L91.2Very high91.6Very high3 Ų348.2 Ų48.22%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-136.5123.9169.5-56.991.4000110I193 V230 E231 L232 Y266 T270I193-L268 HydrophobicContact CB-CB 4.21Å; I193-L268 HydrophobicContact CB-CD1 4.06Å; I193-L268 HydrophobicContact CD1-CB 4.42Å; I193-L268 HydrophobicContact CG2-CD1 4.14Å; I193-L268 PolarHBondContact N-O 2.8Å; I193-L268 PolarHBondContact O-N 2.87Å; V230-L268 HydrophobicContact CG1-CD2 3.34Å; E231-L268 WeakPolarHBondContact O-CD2 3.36Å; L232-L268 HydrophobicContact CD2-CD1 4.28Å; L232-L268 HydrophobicContact CD2-CG 4.47Å; Y266-L268 HydrophobicContact CD2-CD1 3.46Å; Y266-L268 VanDerWaalsContact CD2-CD1 3.46Å; Y266-L268 HydrophobicContact CE2-CD1 3.53Å; L268-T270 PolarHBondContact O-N 2.85Å
269N85.2Confident91.8Very high93 Ų9350.7 Ų50.750%0.49725%0.246SC..  trans-8957.2170.5-69.2-47.6000110.6E233E233-N269 PolarHBondContact OE2-ND2 3.25Å
270T82Confident91.9Very high71 Ų7150.8 Ų50.844%0.43625%0.245SC..  trans-96.6138.6176.8-58.20000110.5S191 L268 V272S191-T270 PolarHBondContact OG-O 2.57Å; L268-T270 PolarHBondContact O-N 2.85Å; T270-V272 WeakPolarHBondContact O-CG2 3.42Å; T270-V272 PolarHBondContact O-N 2.81Å; T270-V272 VanDerWaalsContact O-N 3.09Å
271H82Confident91.9Very high170 Ų17050.1 Ų50.179%0.78724%0.244SC*.  trans-71.1102170.7-70.9-77.8000110.4
272V85.1Confident91.7Very high23 Ų2351.8 Ų51.814%0.13925%0.253CS..PPolyproline II helixtrans-98.1137177.6-1650000109.1S191 I193 T270 V387S191-V272 PolarHBondContact OG-N 2.88Å; I193-V272 HydrophobicContact CD1-CG2 3.82Å; I193-V272 HydrophobicContact CG1-CG2 4.01Å; T270-V272 WeakPolarHBondContact O-CG2 3.42Å; T270-V272 PolarHBondContact O-N 2.81Å; T270-V272 VanDerWaalsContact O-N 3.09Å; V272-V387 HydrophobicContact CB-CG1 4.03Å; V272-V387 HydrophobicContact CG1-CG1 3.2Å; V272-V387 HydrophobicContact CG2-CG1 3.58Å
273K88Confident91.4Very high174 Ų17452.5 Ų52.576%0.75726%0.257SS*.PPolyproline II helixtrans-65.9138.2165.6-69.2-175.2179.6-178.50109.6L275K273-L275 PolarHBondContact O-N 2.92Å
274P92.5Very high90.7Very high11 Ų1158.9 Ų58.97%0.07129%0.285CS..PPolyproline II helixtrans-54.8123.1179.5-29.540.5000111.5L180 V182 V188 I276 W277 Q299 Y418L180-P274 HydrophobicContact CD1-CG 4.32Å; L180-P274 HydrophobicContact CD2-CB 3.6Å; L180-P274 HydrophobicContact CD2-CG 3.65Å; V182-P274 HydrophobicContact CG2-CG 4.31Å; V188-P274 HydrophobicContact CG2-CG 4.37Å; P274-I276 VanDerWaalsContact C-N 3.34Å; P274-W277 HydrophobicContact CB-CE3 3.71Å; P274-W277 HydrophobicContact CB-CZ3 4.36Å; P274-W277 HydrophobicContact CG-CE3 3.55Å; P274-W277 HydrophobicContact CG-CZ3 3.7Å; P274-Q299 WeakPolarHBondContact O-CB 3.46Å; P274-Q299 PolarHBondContact O-OE1 3.08Å; P274-Y418 VanDerWaalsContact C-OH 3.29Å; P274-Y418 VanDerWaalsContact CA-OH 3.3Å; P274-Y418 WeakPolarHBondContact CA-OH 3.36Å; P274-Y418 VanDerWaalsContact CB-OH 3.29Å; P274-Y418 WeakPolarHBondContact CB-OH 3.31Å
275L95.4Very high90Very high11 Ų1162.9 Ų62.96%0.05830%0.303CS..SBendtrans-66.2-40.9-177.4-61178.4000111.4V178 K273 A298 Q299 F300 F380 I382 F385 V387 T413 Y418V178-L275 HydrophobicContact CG2-CD1 4.17Å; K273-L275 PolarHBondContact O-N 2.92Å; L275-A298 CarbonylContact O-C 3.56Å; L275-Q299 PolarHBondContact O-N 2.91Å; L275-F300 HydrophobicContact CB-CD1 4.15Å; L275-F300 HydrophobicContact CD2-CB 4.34Å; L275-F300 VanDerWaalsContact O-CD1 3.27Å; L275-F300 WeakPolarHBondContact O-CD1 3.4Å; L275-F380 HydrophobicContact CB-CE2 4.46Å; L275-F380 HydrophobicContact CB-CZ 4.21Å; L275-F380 HydrophobicContact CD1-CE2 3.76Å; L275-F380 HydrophobicContact CD1-CZ 3.88Å; L275-I382 HydrophobicContact CB-CD1 4.39Å; L275-I382 HydrophobicContact CD1-CD1 4.02Å; L275-F385 HydrophobicContact CD1-CE1 4.23Å; L275-F385 HydrophobicContact CD2-CE1 3.94Å; L275-F385 HydrophobicContact CD2-CZ 4.21Å; L275-V387 HydrophobicContact CD1-CG2 3.65Å; L275-V387 HydrophobicContact CD2-CG2 4.26Å; L275-V387 HydrophobicContact CG-CG2 4.44Å; L275-T413 HydrophobicContact CD1-CG2 3.7Å; L275-Y418 PolarHBondContact N-OH 2.73Å
276I96.7Very high88.8Confident0 Ų065.3 Ų65.30%033%0.325CS..EExtended strand (participates in β ladder)trans-120.9112.5170.2-58.3-178.2000106.9P274 V278 K297 F300 A306 V309 F347 V378 F380 Y418P274-I276 VanDerWaalsContact C-N 3.34Å; I276-V278 HydrophobicContact CG2-CG2 4.06Å; I276-K297 WeakPolarHBondContact CA-O 3.29Å; I276-F300 HydrophobicContact CG1-CE1 4.14Å; I276-A306 HydrophobicContact CD1-CB 4.24Å; I276-V309 HydrophobicContact CD1-CB 4.44Å; I276-V309 HydrophobicContact CD1-CG1 3.72Å; I276-V309 HydrophobicContact CD1-CG2 3.8Å; I276-F347 HydrophobicContact CD1-CD1 4.42Å; I276-F347 HydrophobicContact CG2-CE1 4.26Å; I276-V378 HydrophobicContact CB-CG1 4.29Å; I276-V378 HydrophobicContact CD1-CG1 4.29Å; I276-V378 HydrophobicContact CG2-CG1 4.13Å; I276-F380 HydrophobicContact CD1-CB 3.74Å; I276-F380 HydrophobicContact CD1-CD1 3.8Å; I276-F380 HydrophobicContact CD1-CG 3.81Å; I276-F380 HydrophobicContact CG1-CD1 4.32Å; I276-Y418 PolarHBondContact N-OH 2.99Å; I276-Y418 VanDerWaalsContact O-CE1 3.29Å; I276-Y418 WeakPolarHBondContact O-CE1 3.44Å; I276-Y418 PolarHBondContact O-OH 2.89Å
277W96.2Very high87.4Confident45 Ų4572 Ų7217%0.1736%0.356CS..EExtended strand (participates in β ladder)trans-92.7131.3175.1-176.1-100.4000109.1V182 P274 E279 A296 K297 Q299 L420V182-W277 HydrophobicContact CB-CZ3 4.4Å; V182-W277 HydrophobicContact CG1-CH2 3.57Å; V182-W277 HydrophobicContact CG1-CZ3 3.6Å; V182-W277 HydrophobicContact CG2-CZ3 4.01Å; P274-W277 HydrophobicContact CB-CE3 3.71Å; P274-W277 HydrophobicContact CB-CZ3 4.36Å; P274-W277 HydrophobicContact CG-CE3 3.55Å; P274-W277 HydrophobicContact CG-CZ3 3.7Å; W277-E279 PolarHBondContact NE1-OE1 2.83Å; W277-A296 CarbonylContact O-C 3.54Å; W277-A296 WeakPolarHBondContact O-CA 3.37Å; W277-K297 PolarHBondContact N-O 3.38Å; W277-K297 PolarHBondContact O-N 3.21Å; W277-Q299 HydrophobicContact CB-CG 4.16Å; W277-L420 HydrophobicContact CD2-CD2 4.34Å; W277-L420 HydrophobicContact CE3-CD2 3.94Å; W277-L420 HydrophobicContact CZ3-CD2 4.36Å
278V96.2Very high86.6Confident5 Ų571 Ų713%0.0336%0.363CS..EExtended strand (participates in β ladder)trans-128.2127.6179.4-173.60000109.2I276 V294 K295 A296 I311 I376 V378 L420I276-V278 HydrophobicContact CG2-CG2 4.06Å; V278-V294 HydrophobicContact CG1-CG1 3.57Å; V278-K295 WeakPolarHBondContact CA-O 3.27Å; V278-A296 HydrophobicContact CG2-CB 4.22Å; V278-I311 HydrophobicContact CG1-CG2 3.96Å; V278-I311 HydrophobicContact CG2-CD1 4.05Å; V278-I311 HydrophobicContact CG2-CG1 4.25Å; V278-I311 HydrophobicContact CG2-CG2 4.19Å; V278-I376 HydrophobicContact CB-CG2 4.38Å; V278-I376 HydrophobicContact CG1-CD1 3.94Å; V278-I376 HydrophobicContact CG1-CG2 4.11Å; V278-V378 HydrophobicContact CG2-CG2 3.78Å; V278-L420 HydrophobicContact CB-CD1 4.4Å
279E93.2Very high86.3Confident99 Ų9975.6 Ų75.646%0.46338%0.381SS..EExtended strand (participates in β ladder)trans-119.6139.6172.5-68.7169.9168.100108.2W277 V294 K295W277-E279 PolarHBondContact NE1-OE1 2.83Å; E279-V294 CarbonylContact O-C 3.6Å; E279-V294 WeakPolarHBondContact O-CA 3.34Å; E279-K295 PolarHBondContact N-O 3.16Å; E279-K295 PolarHBondContact O-N 3.03Å
280A92.7Very high86.4Confident16 Ų1671.5 Ų71.513%0.13236%0.358CS..EExtended strand (participates in β ladder)trans-124.3131.4170.300000109.8M293 V294 I376 T422A280-M293 WeakPolarHBondContact CA-O 3.48Å; A280-V294 HydrophobicContact CB-CG2 3.99Å; A280-I376 HydrophobicContact CB-CD1 3.83Å; A280-T422 HydrophobicContact CB-CG2 3.86Å
281I91.5Very high86.9Confident101 Ų10170.8 Ų70.852%0.51835%0.35SS..EExtended strand (participates in β ladder)trans-106125.8170.2-61.4165.8000106.4E283 Y292 M293I281-E283 HydrophobicContact CG2-CG 4.45Å; I281-Y292 WeakPolarHBondContact O-CA 3.38Å; I281-M293 HydrophobicContact CB-CB 4.48Å; I281-M293 PolarHBondContact N-O 2.67Å; I281-M293 PolarHBondContact O-N 3.05Å
282I88.6Confident87.5Confident58 Ų5863.6 Ų63.630%0.29732%0.316SS..EExtended strand (participates in β ladder)trans-113119.3-177.4-57.3168.9000108M290 Y292I282-M290 HydrophobicContact CG2-CG 4.11Å; I282-M290 HydrophobicContact CG2-SD 4.24Å; I282-Y292 HydrophobicContact CB-CE2 4.3Å; I282-Y292 HydrophobicContact CD1-CD1 4.47Å; I282-Y292 HydrophobicContact CD1-CE1 3.79Å; I282-Y292 HydrophobicContact CD1-CE2 4.29Å; I282-Y292 HydrophobicContact CG1-CD1 4.03Å; I282-Y292 HydrophobicContact CG1-CD2 4.2Å; I282-Y292 HydrophobicContact CG1-CE1 3.82Å; I282-Y292 HydrophobicContact CG1-CE2 3.95Å; I282-Y292 HydrophobicContact CG1-CG 4.22Å; I282-Y292 HydrophobicContact CG2-CD2 4.01Å; I282-Y292 HydrophobicContact CG2-CE2 3.52Å
283E87.6Confident88Confident94 Ų9466 Ų6644%0.43933%0.327SS..EExtended strand (participates in β ladder)trans-111113.4175.9-67.6179.7-168.900108.8I281 M290 E291I281-E283 HydrophobicContact CG2-CG 4.45Å; E283-M290 WeakPolarHBondContact O-CA 3.25Å; E283-E291 HydrophobicContact CB-CB 4.46Å; E283-E291 PolarHBondContact N-O 2.87Å; E283-E291 PolarHBondContact O-N 2.83Å
284K82.2Confident88.4Confident134 Ų13457.7 Ų57.758%0.58329%0.291SS*.EExtended strand (participates in β ladder)trans-98.4113175.7-169.5170.8-175.91690108.5L361K284-L361 HydrophobicContact CD-CD1 4.34Å; K284-L361 HydrophobicContact CG-CD1 4.05Å
285H80.4Confident88.6Confident87 Ų8760.5 Ų60.540%0.40330%0.302SS..EExtended strand (participates in β ladder)trans-87.3127.3171.4-63.3-76.8000108.9H287 R289H285-H287 PolarHBondContact O-N 2.83Å; H285-R289 WeakPolarHBondContact CB-O 3.48Å; H285-R289 PolarHBondContact N-O 2.82Å
286A69.2Low88.7Confident80 Ų8060 Ų6066%0.66130%0.299SS*.THydrogen-bonded Turntrans-49.6128.5-177.200000111.5S288A286-S288 PolarHBondContact O-N 2.75Å
287H65.6Low88.7Confident142 Ų14264.2 Ų64.266%0.65732%0.317SS*.THydrogen-bonded Turntrans64.112.3170.5-46.8-68.2000118.9H285 E365H285-H287 PolarHBondContact O-N 2.83Å; H287-E365 IonicContact CE1-OE1 3.27Å
288S77.8Confident88.8Confident73 Ų7362 Ų6251%0.5131%0.309SS..THydrogen-bonded Turntrans-151.8-36.8175.370.90000118A286 G360 L361A286-S288 PolarHBondContact O-N 2.75Å; S288-G360 WeakPolarHBondContact O-CA 3.49Å; S288-L361 PolarHBondContact O-N 2.99Å
289R85.1Confident88.8Confident101 Ų10165.9 Ų65.938%0.38133%0.327SS..EExtended strand (participates in β ladder)trans-147143.9-162.9-169.3175.8178.2-141.5-15.2112.2H285 E291 S358 F359H285-R289 WeakPolarHBondContact CB-O 3.48Å; H285-R289 PolarHBondContact N-O 2.82Å; R289-E291 HydrophobicContact CG-CG 4.49Å; R289-E291 IonicContact CZ-OE1 3.62Å; R289-E291 IonicContact NE-OE1 2.64Å; R289-E291 IonicContact NH1-OE1 3.85Å; R289-E291 PolarHBondContact NH1-OE1 2.96Å; R289-E291 IonicContact NH2-OE1 2.87Å; R289-E291 PolarHBondContact NH2-OE1 2.8Å; R289-E291 IonicContact NH2-OE2 3.32Å; R289-S358 VanDerWaalsContact NH2-CB 3.25Å; R289-F359 WeakPolarHBondContact CA-O 3.09Å; R289-F359 WeakPolarHBondContact CG-O 3.41Å
290M87.6Confident88.8Confident6 Ų661.9 Ų61.93%0.0331%0.308CS..EExtended strand (participates in β ladder)trans-122.9133172.2-163.816763.800109.5I282 E283 Y292 P316 V319 S358 F359 L361I282-M290 HydrophobicContact CG2-CG 4.11Å; I282-M290 HydrophobicContact CG2-SD 4.24Å; E283-M290 WeakPolarHBondContact O-CA 3.25Å; M290-Y292 HydrophobicContact CE-CD2 4.36Å; M290-Y292 HydrophobicContact CE-CE2 3.4Å; M290-Y292 HydrophobicContact CG-CD2 4.14Å; M290-Y292 HydrophobicContact CG-CE2 3.71Å; M290-Y292 HydrophobicContact SD-CE2 3.71Å; M290-P316 HydrophobicContact CE-CG 3.61Å; M290-P316 HydrophobicContact SD-CG 4.16Å; M290-V319 HydrophobicContact CE-CG1 3.54Å; M290-S358 WeakPolarHBondContact O-CA 3.18Å; M290-F359 HydrophobicContact CE-CD2 4.18Å; M290-F359 PolarHBondContact N-O 3.11Å; M290-F359 PolarHBondContact O-N 2.79Å; M290-L361 HydrophobicContact CB-CD1 4.11Å; M290-L361 HydrophobicContact CB-CG 4.23Å; M290-L361 HydrophobicContact CE-CD2 4.46Å
291E92Very high88.8Confident57 Ų5767.1 Ų67.127%0.26633%0.328SS..EExtended strand (participates in β ladder)trans-118.3131.7177.9-65.5-161.3-163.600110.4E283 R289 A357E283-E291 HydrophobicContact CB-CB 4.46Å; E283-E291 PolarHBondContact N-O 2.87Å; E283-E291 PolarHBondContact O-N 2.83Å; R289-E291 HydrophobicContact CG-CG 4.49Å; R289-E291 IonicContact CZ-OE1 3.62Å; R289-E291 IonicContact NE-OE1 2.64Å; R289-E291 IonicContact NH1-OE1 3.85Å; R289-E291 PolarHBondContact NH1-OE1 2.96Å; R289-E291 IonicContact NH2-OE1 2.87Å; R289-E291 PolarHBondContact NH2-OE1 2.8Å; R289-E291 IonicContact NH2-OE2 3.32Å; E291-A357 WeakPolarHBondContact CA-O 3.49Å
292Y93.6Very high88.9Confident18 Ų1872.5 Ų72.57%0.07134%0.341CS..EExtended strand (participates in β ladder)trans-113.6127.4175.3-80.8-133.3000108.2I281 I282 M290 V313 P314 V315 P316 R356 A357 F359I281-Y292 WeakPolarHBondContact O-CA 3.38Å; I282-Y292 HydrophobicContact CB-CE2 4.3Å; I282-Y292 HydrophobicContact CD1-CD1 4.47Å; I282-Y292 HydrophobicContact CD1-CE1 3.79Å; I282-Y292 HydrophobicContact CD1-CE2 4.29Å; I282-Y292 HydrophobicContact CG1-CD1 4.03Å; I282-Y292 HydrophobicContact CG1-CD2 4.2Å; I282-Y292 HydrophobicContact CG1-CE1 3.82Å; I282-Y292 HydrophobicContact CG1-CE2 3.95Å; I282-Y292 HydrophobicContact CG1-CG 4.22Å; I282-Y292 HydrophobicContact CG2-CD2 4.01Å; I282-Y292 HydrophobicContact CG2-CE2 3.52Å; M290-Y292 HydrophobicContact CE-CD2 4.36Å; M290-Y292 HydrophobicContact CE-CE2 3.4Å; M290-Y292 HydrophobicContact CG-CD2 4.14Å; M290-Y292 HydrophobicContact CG-CE2 3.71Å; M290-Y292 HydrophobicContact SD-CE2 3.71Å; Y292-V313 HydrophobicContact CD1-CG1 3.86Å; Y292-V313 HydrophobicContact CE1-CG1 4Å; Y292-P314 WeakPolarHBondContact CE1-O 3.49Å; Y292-V315 HydrophobicContact CD1-CG1 4.46Å; Y292-V315 HydrophobicContact CE1-CG1 3.91Å; Y292-P316 WeakPolarHBondContact OH-CD 3.36Å; Y292-R356 WeakPolarHBondContact O-CA 3.46Å; Y292-A357 PolarHBondContact N-O 2.74Å; Y292-A357 PolarHBondContact O-N 2.83Å; Y292-F359 HydrophobicContact CD2-CD2 4.18Å; Y292-F359 AromaticContact CD2-CE2 3.78Å; Y292-F359 HydrophobicContact CD2-CE2 3.78Å; Y292-F359 HydrophobicContact CE2-CD2 4.47Å; Y292-F359 HydrophobicContact CE2-CE2 4.23Å; Y292-F359 HydrophobicContact CG-CE2 4.07Å
293M95.6Very high89.2Confident73 Ų7379.3 Ų79.336%0.3636%0.364SS..EExtended strand (participates in β ladder)trans-111.8105.4167.1-169.3177.2-50.900108.9A280 I281 I354A280-M293 WeakPolarHBondContact CA-O 3.48Å; I281-M293 HydrophobicContact CB-CB 4.48Å; I281-M293 PolarHBondContact N-O 2.67Å; I281-M293 PolarHBondContact O-N 3.05Å; M293-I354 HydrophobicContact CG-CG2 4.18Å
294V96.7Very high89.5Confident1 Ų175.4 Ų75.41%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-104.8120.7-178.1-173.30000108.7V278 E279 A280 V313 W342 I354 L355V278-V294 HydrophobicContact CG1-CG1 3.57Å; E279-V294 CarbonylContact O-C 3.6Å; E279-V294 WeakPolarHBondContact O-CA 3.34Å; A280-V294 HydrophobicContact CB-CG2 3.99Å; V294-V313 HydrophobicContact CG1-CG2 4.13Å; V294-V313 HydrophobicContact CG2-CG1 4.16Å; V294-V313 HydrophobicContact CG2-CG2 4.14Å; V294-W342 HydrophobicContact CG1-CE3 4.45Å; V294-W342 HydrophobicContact CG1-CZ3 4.36Å; V294-I354 WeakPolarHBondContact O-CA 3.42Å; V294-L355 HydrophobicContact CB-CB 4.26Å; V294-L355 PolarHBondContact N-O 3.37Å; V294-L355 PolarHBondContact O-N 3.13Å
295K97Very high90.2Very high70 Ų7071 Ų7130%0.30433%0.331SS..EExtended strand (participates in β ladder)trans-109.9123176.9-175.3175.4-177.8171.20109.4V278 E279 E352 I354V278-K295 WeakPolarHBondContact CA-O 3.27Å; E279-K295 PolarHBondContact N-O 3.16Å; E279-K295 PolarHBondContact O-N 3.03Å; K295-E352 WeakPolarHBondContact CE-OE1 3.46Å; K295-E352 WeakPolarHBondContact CE-OE2 3.41Å; K295-E352 IonicContact NZ-OE1 2.79Å; K295-E352 PolarHBondContact NZ-OE1 3.27Å; K295-E352 IonicContact NZ-OE2 2.79Å; K295-E352 PolarHBondContact NZ-OE2 2.94Å; K295-I354 HydrophobicContact CG-CG1 4.35Å
296A97.7Very high91Very high0 Ų066.9 Ų66.90%031%0.312CS..EExtended strand (participates in β ladder)trans-111.7135.8174.700000110.6W277 V278 I311 W342 F347 E352 Y353W277-A296 CarbonylContact O-C 3.54Å; W277-A296 WeakPolarHBondContact O-CA 3.37Å; V278-A296 HydrophobicContact CG2-CB 4.22Å; A296-I311 HydrophobicContact CB-CD1 3.46Å; A296-I311 VanDerWaalsContact CB-CD1 3.46Å; A296-W342 HydrophobicContact CB-CH2 3.95Å; A296-W342 HydrophobicContact CB-CZ3 3.64Å; A296-F347 HydrophobicContact CB-CE1 3.9Å; A296-F347 HydrophobicContact CB-CZ 4.17Å; A296-E352 CarbonylContact O-C 3.59Å; A296-E352 WeakPolarHBondContact O-CA 3.32Å; A296-Y353 PolarHBondContact N-O 3.26Å; A296-Y353 PolarHBondContact O-N 3.32Å
297K97.4Very high92.4Very high88 Ų8865.8 Ų65.838%0.38330%0.295SS..EExtended strand (participates in β ladder)trans-133.2122.7-178.8-176.7174.2-177.7171.90111I276 W277 Q299 E352I276-K297 WeakPolarHBondContact CA-O 3.29Å; W277-K297 PolarHBondContact N-O 3.38Å; W277-K297 PolarHBondContact O-N 3.21Å; K297-Q299 HydrophobicContact CG-CG 4.34Å; K297-Q299 PolarHBondContact O-N 3.39Å; K297-E352 HydrophobicContact CB-CB 4.3Å; K297-E352 HydrophobicContact CG-CB 4.36Å
298A97.5Very high93.8Very high0 Ų064.9 Ų64.90%029%0.291CS..EExtended strand (participates in β ladder)trans-81109.4173.900000110L275 F300 F347 P348 G350 K351L275-A298 CarbonylContact O-C 3.56Å; A298-F300 HydrophobicContact CB-CD1 4.23Å; A298-F300 HydrophobicContact CB-CE1 3.58Å; A298-F300 HydrophobicContact CB-CE2 4.45Å; A298-F300 HydrophobicContact CB-CZ 3.71Å; A298-F347 HydrophobicContact CB-CD2 3.75Å; A298-F347 HydrophobicContact CB-CE2 3.65Å; A298-F347 HydrophobicContact CB-CG 4.3Å; A298-F347 HydrophobicContact CB-CZ 4.09Å; A298-P348 WeakPolarHBondContact CB-O 3.29Å; A298-G350 VanDerWaalsContact O-CA 3.25Å; A298-G350 WeakPolarHBondContact O-CA 3.35Å; A298-G350 PolarHBondContact O-N 3.35Å; A298-K351 PolarHBondContact N-O 3.45Å
299Q95.5Very high94.7Very high86 Ų8661.4 Ų61.440%0.40227%0.267SS..  trans-94.88.1-176-51.5-167.2-63.700114.3P274 L275 W277 K297P274-Q299 WeakPolarHBondContact O-CB 3.46Å; P274-Q299 PolarHBondContact O-OE1 3.08Å; L275-Q299 PolarHBondContact O-N 2.91Å; W277-Q299 HydrophobicContact CB-CG 4.16Å; K297-Q299 HydrophobicContact CG-CG 4.34Å; K297-Q299 PolarHBondContact O-N 3.39Å
300F94.4Very high95.4Very high14 Ų1459.4 Ų59.46%0.06126%0.262CS..SBendtrans-88.5174.2173.453.3-93.1000112.9L275 I276 A298 S304 A306 F347 G349 I382 F385L275-F300 HydrophobicContact CB-CD1 4.15Å; L275-F300 HydrophobicContact CD2-CB 4.34Å; L275-F300 VanDerWaalsContact O-CD1 3.27Å; L275-F300 WeakPolarHBondContact O-CD1 3.4Å; I276-F300 HydrophobicContact CG1-CE1 4.14Å; A298-F300 HydrophobicContact CB-CD1 4.23Å; A298-F300 HydrophobicContact CB-CE1 3.58Å; A298-F300 HydrophobicContact CB-CE2 4.45Å; A298-F300 HydrophobicContact CB-CZ 3.71Å; F300-S304 WeakPolarHBondContact CE2-O 3.37Å; F300-A306 HydrophobicContact CE1-CB 4.11Å; F300-A306 HydrophobicContact CZ-CB 3.68Å; F300-F347 WeakPolarHBondContact CZ-O 3.24Å; F300-G349 VanDerWaalsContact CE2-N 3.3Å; F300-G349 WeakPolarHBondContact O-CA 3.35Å; F300-I382 HydrophobicContact CD1-CD1 3.65Å; F300-I382 HydrophobicContact CD2-CD1 4.43Å; F300-I382 HydrophobicContact CE1-CD1 3.7Å; F300-I382 HydrophobicContact CE2-CD1 4.46Å; F300-I382 HydrophobicContact CG-CD1 4.03Å; F300-I382 HydrophobicContact CZ-CD1 4.12Å; F300-F385 HydrophobicContact CB-CZ 4.36Å
301K92.8Very high95.9Very high126 Ų12659.1 Ų59.155%0.54826%0.26SS..  trans-60.8138.6-175-65.2179.9179.5173.50111.5R303 S304K301-R303 HydrophobicContact CB-CG 4.16Å; K301-R303 PolarHBondContact O-N 3.19Å; K301-S304 PolarHBondContact O-N 3.03Å
302R93.8Very high96.1Very high214 Ų21458.1 Ų58.181%0.80826%0.255SS*.THydrogen-bonded Turntrans-58.4-20.2-179.1-61.1-172.9173.8-179.7-1.6115.6S304 G349R302-S304 VanDerWaalsContact C-N 3.3Å; R302-G349 WeakPolarHBondContact CA-O 3.38Å; R302-G349 WeakPolarHBondContact CG-O 3.24Å
303R93.3Very high96.2Very high202 Ų20257.4 Ų57.476%0.76225%0.253SS*.THydrogen-bonded Turntrans-77.7-16.5176.970.5-176.9-178.1-1715.3113.7K301K301-R303 HydrophobicContact CB-CG 4.16Å; K301-R303 PolarHBondContact O-N 3.19Å
304S95.1Very high96.2Very high11 Ų1155.1 Ų55.18%0.07724%0.243CC..  trans-104.1155.9179.3-60.50000108.9F300 K301 R302 G349F300-S304 WeakPolarHBondContact CE2-O 3.37Å; K301-S304 PolarHBondContact O-N 3.03Å; R302-S304 VanDerWaalsContact C-N 3.3Å; S304-G349 PolarHBondContact O-N 2.83Å
305T96.9Very high95.9Very high43 Ų4355.6 Ų55.626%0.26425%0.247SC..EExtended strand (participates in β ladder)trans-137.7131.8-177.9-64.20000108.1S346 P348 P383T305-S346 WeakPolarHBondContact CG2-OG 3.36Å; T305-P348 HydrophobicContact CG2-CG 4.49Å; T305-P383 WeakPolarHBondContact O-CD 3.38Å
306A97.5Very high95.4Very high0 Ų053.5 Ų53.50%024%0.24CC..EExtended strand (participates in β ladder)trans-83135.3169.700000109.5I276 F300 V309 S346 F347 F380 E381 I382I276-A306 HydrophobicContact CD1-CB 4.24Å; F300-A306 HydrophobicContact CE1-CB 4.11Å; F300-A306 HydrophobicContact CZ-CB 3.68Å; A306-V309 HydrophobicContact CB-CG2 3.6Å; A306-S346 WeakPolarHBondContact O-CA 3.38Å; A306-F347 HydrophobicContact CB-CB 4.29Å; A306-F347 PolarHBondContact N-O 2.84Å; A306-F347 PolarHBondContact O-N 3Å; A306-F380 HydrophobicContact CB-CB 4.42Å; A306-E381 CarbonylContact C-O 3.53Å; A306-E381 WeakPolarHBondContact CA-O 3.37Å; A306-I382 HydrophobicContact CB-CD1 4.38Å; A306-I382 HydrophobicContact CB-CG1 3.84Å
307N96.7Very high94.8Very high56 Ų5657.7 Ų57.730%0.29927%0.269SS..EExtended strand (participates in β ladder)trans-105.7151178.8-62.1-31.8000109.9V309 R345 E381N307-V309 PolarHBondContact O-N 2.75Å; N307-R345 WeakPolarHBondContact CA-O 3.49Å; N307-E381 PolarHBondContact N-O 3.09Å; N307-E381 PolarHBondContact O-N 2.87Å
308Q95.6Very high94.2Very high124 Ų12456.7 Ų56.758%0.57927%0.268SS*.EExtended strand (participates in β ladder)trans46.747.7175.1-58-64.32.300112.9E310 R345Q308-E310 PolarHBondContact O-N 2.99Å; Q308-R345 PolarHBondContact N-O 3.17Å
309V98.1Very high93.7Very high0 Ų057.2 Ų57.20%027%0.271CS..EExtended strand (participates in β ladder)trans-71.2128.5179.1-179.60000108.6I276 A306 N307 I311 T343 I344 F347 V378 K379 F380I276-V309 HydrophobicContact CD1-CB 4.44Å; I276-V309 HydrophobicContact CD1-CG1 3.72Å; I276-V309 HydrophobicContact CD1-CG2 3.8Å; A306-V309 HydrophobicContact CB-CG2 3.6Å; N307-V309 PolarHBondContact O-N 2.75Å; V309-I311 HydrophobicContact CG1-CG1 4.2Å; V309-T343 CarbonylContact O-C 3.55Å; V309-T343 WeakPolarHBondContact O-CA 3.29Å; V309-I344 HydrophobicContact CB-CB 4.25Å; V309-I344 PolarHBondContact N-O 3.14Å; V309-I344 PolarHBondContact O-N 3.45Å; V309-F347 HydrophobicContact CG1-CD1 4.31Å; V309-F347 HydrophobicContact CG2-CB 3.86Å; V309-F347 HydrophobicContact CG2-CD1 4.26Å; V309-V378 HydrophobicContact CG1-CG1 4.21Å; V309-K379 CarbonylContact C-O 3.56Å; V309-K379 VanDerWaalsContact CA-O 3.24Å; V309-K379 WeakPolarHBondContact CA-O 3.33Å; V309-F380 HydrophobicContact CG2-CB 3.95Å
310E98.1Very high93.2Very high59 Ų5958.7 Ų58.728%0.27628%0.282SS..EExtended strand (participates in β ladder)trans-122.6125.9170.3-59.3-172.2160.400109.6Q308 H312 V341 W342 T343 V378 K379Q308-E310 PolarHBondContact O-N 2.99Å; E310-H312 IonicContact OE2-CE1 3.59Å; E310-H312 IonicContact OE2-NE2 3.53Å; E310-H312 PolarHBondContact OE2-NE2 2.87Å; E310-V341 HydrophobicContact CB-CG1 4.42Å; E310-W342 CarbonylContact C-O 3.51Å; E310-W342 WeakPolarHBondContact CA-O 3.2Å; E310-T343 HydrophobicContact CG-CG2 4.45Å; E310-V378 CarbonylContact O-C 3.5Å; E310-V378 WeakPolarHBondContact O-CA 3.27Å; E310-K379 HydrophobicContact CB-CB 4.24Å; E310-K379 PolarHBondContact N-O 2.83Å; E310-K379 PolarHBondContact O-N 3.41Å
311I98.2Very high93Very high0 Ų060.8 Ų60.80%030%0.298CS..EExtended strand (participates in β ladder)trans-109.8117.8174.9-59.8163.3000107.1V278 A296 V309 V313 W342 I344 I376 V378V278-I311 HydrophobicContact CG1-CG2 3.96Å; V278-I311 HydrophobicContact CG2-CD1 4.05Å; V278-I311 HydrophobicContact CG2-CG1 4.25Å; V278-I311 HydrophobicContact CG2-CG2 4.19Å; A296-I311 HydrophobicContact CB-CD1 3.46Å; A296-I311 VanDerWaalsContact CB-CD1 3.46Å; V309-I311 HydrophobicContact CG1-CG1 4.2Å; I311-V313 HydrophobicContact CG2-CG2 3.83Å; I311-W342 HydrophobicContact CB-CB 4.32Å; I311-W342 HydrophobicContact CB-CE3 4.34Å; I311-W342 HydrophobicContact CD1-CD2 4.29Å; I311-W342 HydrophobicContact CD1-CE3 3.55Å; I311-W342 HydrophobicContact CD1-CZ3 3.77Å; I311-W342 PolarHBondContact N-O 3.24Å; I311-W342 PolarHBondContact O-N 3.46Å; I311-I344 HydrophobicContact CD1-CD1 4.47Å; I311-I376 HydrophobicContact CG2-CG2 3.7Å; I311-V378 HydrophobicContact CG1-CG1 4.03Å; I311-V378 HydrophobicContact CG1-CG2 4.45Å
312H97.6Very high93Very high35 Ų3557.1 Ų57.116%0.16229%0.287CS..EExtended strand (participates in β ladder)trans-102.2105.7-176.1-71.1-137.9000107.2E310 P314 V339 I376 T377E310-H312 IonicContact OE2-CE1 3.59Å; E310-H312 IonicContact OE2-NE2 3.53Å; E310-H312 PolarHBondContact OE2-NE2 2.87Å; H312-P314 WeakPolarHBondContact O-CD 3.18Å; H312-V339 HydrophobicContact CB-CG1 3.74Å; H312-I376 WeakPolarHBondContact O-CA 3.37Å; H312-I376 WeakPolarHBondContact O-CG2 3.35Å; H312-T377 VanDerWaalsContact CB-OG1 3.32Å; H312-T377 WeakPolarHBondContact CB-OG1 3.39Å; H312-T377 PolarHBondContact N-O 2.85Å; H312-T377 PolarHBondContact O-N 2.86Å; H312-T377 VanDerWaalsContact O-N 3.13Å
313V96Very high93.1Very high4 Ų455.8 Ų55.82%0.02428%0.282CS..EExtended strand (participates in β ladder)trans-104.4111.7-175.9-174.30000108.8Y292 V294 I311 V340 I376Y292-V313 HydrophobicContact CD1-CG1 3.86Å; Y292-V313 HydrophobicContact CE1-CG1 4Å; V294-V313 HydrophobicContact CG1-CG2 4.13Å; V294-V313 HydrophobicContact CG2-CG1 4.16Å; V294-V313 HydrophobicContact CG2-CG2 4.14Å; I311-V313 HydrophobicContact CG2-CG2 3.83Å; V313-V340 PolarHBondContact N-O 3.05Å; V313-V340 PolarHBondContact O-N 3.41Å; V313-I376 HydrophobicContact CG1-CD1 4.35Å; V313-I376 HydrophobicContact CG1-CG1 4.41Å; V313-I376 HydrophobicContact CG2-CD1 4.39Å
314P93.8Very high93.2Very high24 Ų2448.9 Ų48.916%0.15626%0.258CS..EExtended strand (participates in β ladder)trans-64.2141.2177.2-23.336.2000111.6Y292 H312 P374Y292-P314 WeakPolarHBondContact CE1-O 3.49Å; H312-P314 WeakPolarHBondContact O-CD 3.18Å; P314-P374 HydrophobicContact CB-CB 4.11Å; P314-P374 HydrophobicContact CB-CG 4.08Å; P314-P374 HydrophobicContact CG-CB 3.83Å; P314-P374 HydrophobicContact CG-CG 4.35Å; P314-P374 WeakPolarHBondContact CG-O 3.49Å
315V90.8Very high93.3Very high12 Ų1256.4 Ų56.47%0.07329%0.289CS..  trans-131156174.2-65.20000109.1Y292 V319 Y333 N338 V340 F359Y292-V315 HydrophobicContact CD1-CG1 4.46Å; Y292-V315 HydrophobicContact CE1-CG1 3.91Å; V315-V319 HydrophobicContact CB-CG1 4.42Å; V315-V319 HydrophobicContact CB-CG2 4.36Å; V315-V319 HydrophobicContact CG2-CG2 3.87Å; V315-Y333 HydrophobicContact CG2-CD2 4.05Å; V315-Y333 HydrophobicContact CG2-CE2 3.43Å; V315-Y333 VanDerWaalsContact CG2-CE2 3.43Å; V315-N338 WeakPolarHBondContact CG2-O 3.4Å; V315-N338 PolarHBondContact N-O 3.46Å; V315-N338 WeakPolarHBondContact O-CB 3.21Å; V315-N338 VanDerWaalsContact O-O 3.13Å; V315-V340 HydrophobicContact CG1-CG2 3.96Å; V315-V340 HydrophobicContact CG2-CG2 4.4Å; V315-F359 HydrophobicContact CG1-CE1 4.29Å; V315-F359 HydrophobicContact CG1-CE2 3.99Å; V315-F359 HydrophobicContact CG1-CZ 3.7Å
316P87.5Confident93.3Very high25 Ų2556.5 Ų56.516%0.16229%0.29CS..  trans-55.1150.1171.9-25.936.3000111.9M290 Y292 D318 V319M290-P316 HydrophobicContact CE-CG 3.61Å; M290-P316 HydrophobicContact SD-CG 4.16Å; Y292-P316 WeakPolarHBondContact OH-CD 3.36Å; P316-D318 WeakPolarHBondContact CB-OD1 3.4Å; P316-D318 PolarHBondContact O-N 2.97Å; P316-V319 HydrophobicContact CB-CG1 4.13Å; P316-V319 HydrophobicContact CG-CG1 4.37Å; P316-V319 WeakPolarHBondContact O-CG1 3.41Å; P316-V319 VanDerWaalsContact O-CG2 3.24Å; P316-V319 WeakPolarHBondContact O-CG2 3.23Å
317S85.2Confident93.3Very high89 Ų8960.8 Ų60.862%0.62232%0.316SS*.THydrogen-bonded Turntrans-72.8-16.4-176.453.60000114.4N338S317-N338 WeakPolarHBondContact CA-OD1 3.3Å
318D83.4Confident93.3Very high66 Ų6661.8 Ų61.835%0.35332%0.32SS..THydrogen-bonded Turntrans-93.91.5-176.568.8-30000113P316 P362P316-D318 WeakPolarHBondContact CB-OD1 3.4Å; P316-D318 PolarHBondContact O-N 2.97Å; D318-P362 HydrophobicContact CB-CG 3.89Å; D318-P362 WeakPolarHBondContact O-CD 3.38Å
319V86.7Confident93.4Very high11 Ų1157.9 Ų57.97%0.06731%0.313CS..  trans-63.9136.1178-64.20000112.1M290 V315 P316 Y333 F359 L361M290-V319 HydrophobicContact CE-CG1 3.54Å; V315-V319 HydrophobicContact CB-CG1 4.42Å; V315-V319 HydrophobicContact CB-CG2 4.36Å; V315-V319 HydrophobicContact CG2-CG2 3.87Å; P316-V319 HydrophobicContact CB-CG1 4.13Å; P316-V319 HydrophobicContact CG-CG1 4.37Å; P316-V319 WeakPolarHBondContact O-CG1 3.41Å; P316-V319 VanDerWaalsContact O-CG2 3.24Å; P316-V319 WeakPolarHBondContact O-CG2 3.23Å; V319-Y333 HydrophobicContact CG2-CE1 4.16Å; V319-Y333 HydrophobicContact CG2-CE2 4.05Å; V319-Y333 WeakPolarHBondContact CG2-OH 3.36Å; V319-F359 HydrophobicContact CB-CB 3.87Å; V319-F359 HydrophobicContact CB-CD1 3.98Å; V319-F359 HydrophobicContact CB-CG 4.07Å; V319-F359 HydrophobicContact CG1-CB 3.94Å; V319-F359 HydrophobicContact CG1-CD1 4.37Å; V319-F359 HydrophobicContact CG1-CG 4.07Å; V319-F359 HydrophobicContact CG2-CD1 4.09Å; V319-L361 HydrophobicContact CG1-CD2 4.33Å
320D86Confident93.3Very high117 Ų11761.4 Ų61.463%0.62634%0.338SS*.EExtended strand (participates in β ladder)trans-126.6168.8175-169.118.5000111.3G360D320-G360 PolarHBondContact N-O 2.92Å; D320-G360 PolarHBondContact O-N 2.94Å
321S89.9Confident93.3Very high58 Ų5859.6 Ų59.641%0.40633%0.333SS..EExtended strand (participates in β ladder)trans52.249.5174.465.80000114.7R323 G360S321-R323 PolarHBondContact O-N 2.71Å; S321-G360 PolarHBondContact OG-N 2.73Å
322P92.9Very high93.2Very high49 Ų4965.4 Ų65.432%0.31836%0.358SS..EExtended strand (participates in β ladder)trans-62.2126.5-175.827.5-35.7000111.3F324 Y333 F359P322-F324 HydrophobicContact CB-CE1 4.46Å; P322-F324 HydrophobicContact CB-CE2 3.88Å; P322-F324 HydrophobicContact CB-CZ 3.64Å; P322-Y333 HydrophobicContact CB-CG 4.46Å; P322-Y333 HydrophobicContact CG-CD1 4.05Å; P322-Y333 HydrophobicContact CG-CG 4.35Å; P322-F359 HydrophobicContact CB-CD1 3.97Å; P322-F359 HydrophobicContact CB-CE1 3.99Å
323R95Very high93.1Very high186 Ų18665.8 Ų65.870%0.70236%0.358SS*.EExtended strand (participates in β ladder)trans-125133.6171.7-56.6-177.3-174-119.82.3110.4S321 A357 S358S321-R323 PolarHBondContact O-N 2.71Å; R323-A357 CarbonylContact O-C 3.5Å; R323-A357 WeakPolarHBondContact O-CA 3.35Å; R323-S358 PolarHBondContact N-O 2.94Å; R323-S358 PolarHBondContact O-N 2.93Å
324F96.8Very high93.1Very high57 Ų5767 Ų6725%0.2537%0.366CS..EExtended strand (participates in β ladder)trans-121.8137.6-175.9-54.1-63000111.6P322 A331 V340 L355 R356 A357 F359P322-F324 HydrophobicContact CB-CE1 4.46Å; P322-F324 HydrophobicContact CB-CE2 3.88Å; P322-F324 HydrophobicContact CB-CZ 3.64Å; F324-A331 HydrophobicContact CB-CB 3.94Å; F324-A331 HydrophobicContact CD1-CB 4.14Å; F324-A331 HydrophobicContact CD2-CB 4.29Å; F324-A331 WeakPolarHBondContact CD2-O 3.25Å; F324-A331 HydrophobicContact CG-CB 3.85Å; F324-V340 HydrophobicContact CD1-CG1 4.16Å; F324-V340 HydrophobicContact CE1-CB 4.3Å; F324-V340 HydrophobicContact CE1-CG1 3.55Å; F324-V340 HydrophobicContact CE1-CG2 3.71Å; F324-V340 HydrophobicContact CZ-CG1 3.9Å; F324-V340 HydrophobicContact CZ-CG2 3.77Å; F324-L355 HydrophobicContact CB-CD1 4.31Å; F324-L355 HydrophobicContact CD1-CD1 4.45Å; F324-R356 WeakPolarHBondContact CA-O 3.44Å; F324-A357 HydrophobicContact CD1-CB 3.51Å; F324-A357 HydrophobicContact CE1-CB 3.6Å; F324-F359 AromaticContact CE1-CE1 4Å; F324-F359 HydrophobicContact CE1-CE1 4Å; F324-F359 HydrophobicContact CE1-CZ 4.01Å; F324-F359 HydrophobicContact CZ-CE1 4.18Å
325K97.2Very high92.9Very high170 Ų17069.2 Ų69.274%0.73938%0.38SS*.EExtended strand (participates in β ladder)trans-130.6120166.2-69.8-175.5179.3179.30108.3R356K325-R356 PolarHBondContact N-O 3.26Å; K325-R356 PolarHBondContact O-N 3.12Å
326T97Very high92.9Very high45 Ų4576.1 Ų76.128%0.27641%0.412SS..EExtended strand (participates in β ladder)trans-122.1147.2178.3-176.80000111.3M328 G329 W342 I354T326-M328 VanDerWaalsContact C-N 3.32Å; T326-M328 PolarHBondContact OG1-N 2.79Å; T326-M328 PolarHBondContact OG1-O 2.79Å; T326-G329 WeakPolarHBondContact CG2-O 3.4Å; T326-W342 WeakPolarHBondContact OG1-CZ2 3.34Å; T326-W342 PolarHBondContact OG1-NE1 3.41Å; T326-W342 VanDerWaalsContact OG1-NE1 3.14Å; T326-I354 PolarHBondContact OG1-O 3.22Å
327T97.1Very high93Very high89 Ų8979 Ų7955%0.54643%0.429SS..SBendtrans-75.4-22.117152.10000112.7I354T327-I354 HydrophobicContact CG2-CB 4.22Å; T327-I354 PolarHBondContact N-O 2.79Å; T327-I354 PolarHBondContact OG1-N 2.9Å; T327-I354 PolarHBondContact OG1-O 2.99Å
328M96.9Very high93.4Very high77 Ų7777.4 Ų77.438%0.37941%0.413SS..SBendtrans-154.4140.3179.8-175.257.365.900111.6T326 W342 I344 Y353T326-M328 VanDerWaalsContact C-N 3.32Å; T326-M328 PolarHBondContact OG1-N 2.79Å; T326-M328 PolarHBondContact OG1-O 2.79Å; M328-W342 PolarHBondContact O-NE1 3.16Å; M328-I344 HydrophobicContact CG-CG2 3.88Å; M328-Y353 HydrophobicContact CB-CD1 3.58Å; M328-Y353 HydrophobicContact CB-CD2 3.86Å; M328-Y353 HydrophobicContact CB-CE1 3.81Å; M328-Y353 HydrophobicContact CB-CE2 4.03Å; M328-Y353 HydrophobicContact CB-CG 3.63Å; M328-Y353 HydrophobicContact CE-CE1 4.04Å; M328-Y353 HydrophobicContact CG-CD1 4.33Å; M328-Y353 HydrophobicContact CG-CD2 4.07Å; M328-Y353 HydrophobicContact CG-CE1 4.12Å; M328-Y353 HydrophobicContact CG-CE2 3.8Å; M328-Y353 HydrophobicContact CG-CG 4.33Å
329G96.5Very high93.9Very high43 Ų4375.1 Ų75.144%0.44340%0.402SS..SBendtrans76.5-150.4178.100000112.9T326 T343T326-G329 WeakPolarHBondContact CG2-O 3.4Å; G329-T343 CarbonylContact C-O 3.5Å; G329-T343 WeakPolarHBondContact CA-O 3.26Å
330S97.2Very high94.4Very high73 Ų7374.7 Ų74.751%0.5140%0.399SS..EExtended strand (participates in β ladder)trans-141.4147.1-177.155.80000110.7T343S330-T343 PolarHBondContact N-O 2.8Å; S330-T343 PolarHBondContact O-N 2.95Å
331A97.7Very high94.9Very high21 Ų2169.6 Ų69.617%0.17437%0.372CS..EExtended strand (participates in β ladder)trans-121.3141.617500000110.7F324 V340 V341 W342 L355F324-A331 HydrophobicContact CB-CB 3.94Å; F324-A331 HydrophobicContact CD1-CB 4.14Å; F324-A331 HydrophobicContact CD2-CB 4.29Å; F324-A331 WeakPolarHBondContact CD2-O 3.25Å; F324-A331 HydrophobicContact CG-CB 3.85Å; A331-V340 HydrophobicContact CB-CG1 4.27Å; A331-V341 WeakPolarHBondContact CA-O 3.33Å; A331-W342 HydrophobicContact CB-CB 4.45Å; A331-L355 HydrophobicContact CB-CD1 3.64Å; A331-L355 HydrophobicContact CB-CD2 4.24Å
332K96.6Very high95.3Very high122 Ų12266.8 Ų66.853%0.5335%0.353SS..EExtended strand (participates in β ladder)trans-135.5145.7176.662.8178.4-177.4174.80109.9V334 V340 V341K332-V334 HydrophobicContact CG-CG2 4.43Å; K332-V340 CarbonylContact O-C 3.53Å; K332-V340 WeakPolarHBondContact O-CA 3.35Å; K332-V341 HydrophobicContact CG-CB 4.14Å; K332-V341 PolarHBondContact N-O 2.93Å; K332-V341 PolarHBondContact O-N 3.32Å
333Y95.5Very high95.6Very high43 Ų4365.7 Ų65.717%0.16935%0.345CS..EExtended strand (participates in β ladder)trans-85.8139169.2-177.1-136.2000109.6V315 V319 P322 P335 V340V315-Y333 HydrophobicContact CG2-CD2 4.05Å; V315-Y333 HydrophobicContact CG2-CE2 3.43Å; V315-Y333 VanDerWaalsContact CG2-CE2 3.43Å; V319-Y333 HydrophobicContact CG2-CE1 4.16Å; V319-Y333 HydrophobicContact CG2-CE2 4.05Å; V319-Y333 WeakPolarHBondContact CG2-OH 3.36Å; P322-Y333 HydrophobicContact CB-CG 4.46Å; P322-Y333 HydrophobicContact CG-CD1 4.05Å; P322-Y333 HydrophobicContact CG-CG 4.35Å; Y333-P335 HydrophobicContact CD1-CG 3.79Å; Y333-P335 HydrophobicContact CE1-CB 3.94Å; Y333-P335 HydrophobicContact CE1-CG 3.71Å; Y333-V340 HydrophobicContact CD2-CG2 4.05Å
334V94.9Very high95.7Very high31 Ų3156.9 Ų56.919%0.18831%0.312CS..EExtended strand (participates in β ladder)trans-120.390.1177.2-175.90000107.7K332 E336 T337 N338 V339 V341K332-V334 HydrophobicContact CG-CG2 4.43Å; V334-E336 VanDerWaalsContact C-N 3.25Å; V334-E336 WeakPolarHBondContact CG1-OE2 3.49Å; V334-E336 PolarHBondContact O-N 2.95Å; V334-T337 WeakPolarHBondContact CG1-OG1 3.29Å; V334-T337 PolarHBondContact O-N 2.84Å; V334-T337 PolarHBondContact O-OG1 3.12Å; V334-N338 PolarHBondContact O-N 2.88Å; V334-N338 VanDerWaalsContact O-N 3.11Å; V334-V339 PolarHBondContact N-O 3.02Å; V334-V339 PolarHBondContact O-N 2.7Å; V334-V341 HydrophobicContact CG2-CB 4.48Å; V334-V341 HydrophobicContact CG2-CG2 3.72Å
335P89.7Confident95.8Very high69 Ų6963.8 Ų63.845%0.44834%0.336SS..G310 helixtrans-59.2-32-173-22.832.2000114Y333 T337 N338Y333-P335 HydrophobicContact CD1-CG 3.79Å; Y333-P335 HydrophobicContact CE1-CB 3.94Å; Y333-P335 HydrophobicContact CE1-CG 3.71Å; P335-T337 PolarHBondContact O-N 2.9Å; P335-T337 VanDerWaalsContact O-N 3.12Å; P335-N338 PolarHBondContact O-N 2.86Å; P335-N338 PolarHBondContact O-OD1 3.13Å
336E90.8Very high95.7Very high157 Ų15758.5 Ų58.573%0.73432%0.321SS*.G310 helixtrans-63.7-22.4-177.3-54.179.8-173.600112.7V334V334-E336 VanDerWaalsContact C-N 3.25Å; V334-E336 WeakPolarHBondContact CG1-OE2 3.49Å; V334-E336 PolarHBondContact O-N 2.95Å
337T91Very high95.8Very high85 Ų8556.4 Ų56.452%0.52131%0.308SS..G310 helixtrans-120.90.3-178.657.10000113V334 P335 V339V334-T337 WeakPolarHBondContact CG1-OG1 3.29Å; V334-T337 PolarHBondContact O-N 2.84Å; V334-T337 PolarHBondContact O-OG1 3.12Å; P335-T337 PolarHBondContact O-N 2.9Å; P335-T337 VanDerWaalsContact O-N 3.12Å; T337-V339 VanDerWaalsContact C-N 3.27Å; T337-V339 WeakPolarHBondContact O-CG2 3.48Å; T337-V339 PolarHBondContact O-N 3.47Å
338N92Very high95.8Very high56 Ų5654 Ų5430%0.29929%0.294SS..THydrogen-bonded Turntrans51.544.1-174-51.8-53.1000112.7V315 S317 V334 P335V315-N338 WeakPolarHBondContact CG2-O 3.4Å; V315-N338 PolarHBondContact N-O 3.46Å; V315-N338 WeakPolarHBondContact O-CB 3.21Å; V315-N338 VanDerWaalsContact O-O 3.13Å; S317-N338 WeakPolarHBondContact CA-OD1 3.3Å; V334-N338 PolarHBondContact O-N 2.88Å; V334-N338 VanDerWaalsContact O-N 3.11Å; P335-N338 PolarHBondContact O-N 2.86Å; P335-N338 PolarHBondContact O-OD1 3.13Å
339V94.5Very high95.8Very high19 Ų1950.5 Ų50.512%0.11528%0.278CS..EExtended strand (participates in β ladder)trans-127.7139.2-175.9167.50000111H312 V334 T337 V341H312-V339 HydrophobicContact CB-CG1 3.74Å; V334-V339 PolarHBondContact N-O 3.02Å; V334-V339 PolarHBondContact O-N 2.7Å; T337-V339 VanDerWaalsContact C-N 3.27Å; T337-V339 WeakPolarHBondContact O-CG2 3.48Å; T337-V339 PolarHBondContact O-N 3.47Å; V339-V341 HydrophobicContact CG1-CG2 3.98Å
340V96.4Very high95.8Very high2 Ų250.4 Ų50.41%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-91.5119.2162.7176.90000109.4V313 V315 F324 A331 K332 Y333 L355 F359V313-V340 PolarHBondContact N-O 3.05Å; V313-V340 PolarHBondContact O-N 3.41Å; V315-V340 HydrophobicContact CG1-CG2 3.96Å; V315-V340 HydrophobicContact CG2-CG2 4.4Å; F324-V340 HydrophobicContact CD1-CG1 4.16Å; F324-V340 HydrophobicContact CE1-CB 4.3Å; F324-V340 HydrophobicContact CE1-CG1 3.55Å; F324-V340 HydrophobicContact CE1-CG2 3.71Å; F324-V340 HydrophobicContact CZ-CG1 3.9Å; F324-V340 HydrophobicContact CZ-CG2 3.77Å; A331-V340 HydrophobicContact CB-CG1 4.27Å; K332-V340 CarbonylContact O-C 3.53Å; K332-V340 WeakPolarHBondContact O-CA 3.35Å; Y333-V340 HydrophobicContact CD2-CG2 4.05Å; V340-L355 HydrophobicContact CG1-CD2 4.29Å; V340-F359 HydrophobicContact CG2-CE1 3.89Å; V340-F359 HydrophobicContact CG2-CZ 3.7Å
341V97.8Very high95.8Very high9 Ų952.4 Ų52.46%0.05528%0.276CS..EExtended strand (participates in β ladder)trans-96.6113.6176.9-178.50000108.7E310 A331 K332 V334 V339E310-V341 HydrophobicContact CB-CG1 4.42Å; A331-V341 WeakPolarHBondContact CA-O 3.33Å; K332-V341 HydrophobicContact CG-CB 4.14Å; K332-V341 PolarHBondContact N-O 2.93Å; K332-V341 PolarHBondContact O-N 3.32Å; V334-V341 HydrophobicContact CG2-CB 4.48Å; V334-V341 HydrophobicContact CG2-CG2 3.72Å; V339-V341 HydrophobicContact CG1-CG2 3.98Å
342W98.5Very high95.8Very high0 Ų055.7 Ų55.70%029%0.288CS..EExtended strand (participates in β ladder)trans-101.3110.8173.5-179.119.9000110.6V294 A296 E310 I311 T326 M328 A331 I344 L355V294-W342 HydrophobicContact CG1-CE3 4.45Å; V294-W342 HydrophobicContact CG1-CZ3 4.36Å; A296-W342 HydrophobicContact CB-CH2 3.95Å; A296-W342 HydrophobicContact CB-CZ3 3.64Å; E310-W342 CarbonylContact C-O 3.51Å; E310-W342 WeakPolarHBondContact CA-O 3.2Å; I311-W342 HydrophobicContact CB-CB 4.32Å; I311-W342 HydrophobicContact CB-CE3 4.34Å; I311-W342 HydrophobicContact CD1-CD2 4.29Å; I311-W342 HydrophobicContact CD1-CE3 3.55Å; I311-W342 HydrophobicContact CD1-CZ3 3.77Å; I311-W342 PolarHBondContact N-O 3.24Å; I311-W342 PolarHBondContact O-N 3.46Å; T326-W342 WeakPolarHBondContact OG1-CZ2 3.34Å; T326-W342 PolarHBondContact OG1-NE1 3.41Å; T326-W342 VanDerWaalsContact OG1-NE1 3.14Å; M328-W342 PolarHBondContact O-NE1 3.16Å; A331-W342 HydrophobicContact CB-CB 4.45Å; W342-I344 HydrophobicContact CD2-CD1 4.18Å; W342-I344 HydrophobicContact CD2-CG1 4.41Å; W342-I344 HydrophobicContact CH2-CD1 4.03Å; W342-I344 HydrophobicContact CZ2-CD1 3.53Å; W342-I344 HydrophobicContact CZ2-CG1 4.16Å; W342-L355 HydrophobicContact CB-CD2 3.95Å; W342-L355 HydrophobicContact CD2-CB 3.84Å; W342-L355 HydrophobicContact CD2-CD2 4.15Å; W342-L355 HydrophobicContact CE3-CB 3.75Å; W342-L355 HydrophobicContact CE3-CD2 4.2Å; W342-L355 HydrophobicContact CG-CB 4.46Å; W342-L355 HydrophobicContact CG-CD2 4.06Å; W342-L355 HydrophobicContact CH2-CB 4.18Å; W342-L355 HydrophobicContact CZ2-CB 4.25Å; W342-L355 HydrophobicContact CZ3-CB 3.93Å
343T98.5Very high95.9Very high26 Ų2651.5 Ų51.516%0.1627%0.269CS..EExtended strand (participates in β ladder)trans-101126.8-177.1-52.20000111.1V309 E310 G329 S330V309-T343 CarbonylContact O-C 3.55Å; V309-T343 WeakPolarHBondContact O-CA 3.29Å; E310-T343 HydrophobicContact CG-CG2 4.45Å; G329-T343 CarbonylContact C-O 3.5Å; G329-T343 WeakPolarHBondContact CA-O 3.26Å; S330-T343 PolarHBondContact N-O 2.8Å; S330-T343 PolarHBondContact O-N 2.95Å
344I98.2Very high96Very high1 Ų152 Ų521%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-126.1107.1176.7-54.9172.6000108V309 I311 M328 W342 S346 F347 Y353V309-I344 HydrophobicContact CB-CB 4.25Å; V309-I344 PolarHBondContact N-O 3.14Å; V309-I344 PolarHBondContact O-N 3.45Å; I311-I344 HydrophobicContact CD1-CD1 4.47Å; M328-I344 HydrophobicContact CG-CG2 3.88Å; W342-I344 HydrophobicContact CD2-CD1 4.18Å; W342-I344 HydrophobicContact CD2-CG1 4.41Å; W342-I344 HydrophobicContact CH2-CD1 4.03Å; W342-I344 HydrophobicContact CZ2-CD1 3.53Å; W342-I344 HydrophobicContact CZ2-CG1 4.16Å; I344-S346 VanDerWaalsContact C-N 3.26Å; I344-S346 WeakPolarHBondContact CG2-O 3.49Å; I344-S346 PolarHBondContact O-N 2.85Å; I344-F347 HydrophobicContact CD1-CD1 4.07Å; I344-F347 HydrophobicContact CD1-CE1 4.15Å; I344-F347 HydrophobicContact CG2-CB 4.08Å; I344-F347 HydrophobicContact CG2-CG 4.44Å; I344-Y353 HydrophobicContact CD1-CD2 4.02Å; I344-Y353 HydrophobicContact CG2-CD2 4.4Å; I344-Y353 HydrophobicContact CG2-CE2 4.27Å
345R97.1Very high96.1Very high202 Ų20250.5 Ų50.576%0.76227%0.265SS*.EExtended strand (participates in β ladder)trans-60.2-35.8-175.9-68-175.7-178.2-178.30.6113.4N307 Q308N307-R345 WeakPolarHBondContact CA-O 3.49Å; Q308-R345 PolarHBondContact N-O 3.17Å
346S96.7Very high96.5Very high59 Ų5954.3 Ų54.341%0.41327%0.27SS..EExtended strand (participates in β ladder)trans-143.5120.7-177.3-175.20000110.3T305 A306 I344T305-S346 WeakPolarHBondContact CG2-OG 3.36Å; A306-S346 WeakPolarHBondContact O-CA 3.38Å; I344-S346 VanDerWaalsContact C-N 3.26Å; I344-S346 WeakPolarHBondContact CG2-O 3.49Å; I344-S346 PolarHBondContact O-N 2.85Å
347F97.9Very high96.7Very high0 Ų047 Ų470%024%0.237CC..EExtended strand (participates in β ladder)trans-125.392.7-178.3-160.3166000109.8I276 A296 A298 F300 A306 V309 I344 K351 Y353I276-F347 HydrophobicContact CD1-CD1 4.42Å; I276-F347 HydrophobicContact CG2-CE1 4.26Å; A296-F347 HydrophobicContact CB-CE1 3.9Å; A296-F347 HydrophobicContact CB-CZ 4.17Å; A298-F347 HydrophobicContact CB-CD2 3.75Å; A298-F347 HydrophobicContact CB-CE2 3.65Å; A298-F347 HydrophobicContact CB-CG 4.3Å; A298-F347 HydrophobicContact CB-CZ 4.09Å; F300-F347 WeakPolarHBondContact CZ-O 3.24Å; A306-F347 HydrophobicContact CB-CB 4.29Å; A306-F347 PolarHBondContact N-O 2.84Å; A306-F347 PolarHBondContact O-N 3Å; V309-F347 HydrophobicContact CG1-CD1 4.31Å; V309-F347 HydrophobicContact CG2-CB 3.86Å; V309-F347 HydrophobicContact CG2-CD1 4.26Å; I344-F347 HydrophobicContact CD1-CD1 4.07Å; I344-F347 HydrophobicContact CD1-CE1 4.15Å; I344-F347 HydrophobicContact CG2-CB 4.08Å; I344-F347 HydrophobicContact CG2-CG 4.44Å; F347-K351 HydrophobicContact CD2-CB 4.26Å; F347-K351 HydrophobicContact CE2-CB 3.96Å; F347-K351 WeakPolarHBondContact CE2-O 3.31Å; F347-Y353 HydrophobicContact CD1-CD2 4.4Å; F347-Y353 AromaticContact CD2-CD2 3.73Å; F347-Y353 HydrophobicContact CD2-CD2 3.73Å; F347-Y353 AromaticContact CD2-CE2 3.43Å; F347-Y353 HydrophobicContact CD2-CE2 3.43Å; F347-Y353 VanDerWaalsContact CD2-CE2 3.43Å; F347-Y353 HydrophobicContact CE1-CD2 4.17Å; F347-Y353 AromaticContact CE2-CD2 3.44Å; F347-Y353 HydrophobicContact CE2-CD2 3.44Å; F347-Y353 VanDerWaalsContact CE2-CD2 3.44Å; F347-Y353 AromaticContact CE2-CE2 3.56Å; F347-Y353 HydrophobicContact CE2-CE2 3.56Å; F347-Y353 HydrophobicContact CE2-CG 4.39Å; F347-Y353 HydrophobicContact CG-CD2 4.19Å; F347-Y353 HydrophobicContact CG-CE2 4.02Å; F347-Y353 AromaticContact CZ-CD2 3.69Å; F347-Y353 HydrophobicContact CZ-CD2 3.69Å; F347-Y353 HydrophobicContact CZ-CE2 4.26Å; F347-Y353 HydrophobicContact CZ-CG 4.5Å
348P97.6Very high96.8Very high38 Ų3843.9 Ų43.925%0.24722%0.218CC..EExtended strand (participates in β ladder)trans-65.8146.4179.9-22.234.1000112.7A298 T305 K351A298-P348 WeakPolarHBondContact CB-O 3.29Å; T305-P348 HydrophobicContact CG2-CG 4.49Å; P348-K351 HydrophobicContact CB-CG 4.05Å; P348-K351 HydrophobicContact CG-CG 4.45Å; P348-K351 WeakPolarHBondContact O-CB 3.32Å; P348-K351 PolarHBondContact O-N 2.94Å
349G96.7Very high96.8Very high5 Ų541.3 Ų41.35%0.05221%0.205CC..THydrogen-bonded Turntrans-58.5139.9178.300000112.7F300 R302 S304 K351F300-G349 VanDerWaalsContact CE2-N 3.3Å; F300-G349 WeakPolarHBondContact O-CA 3.35Å; R302-G349 WeakPolarHBondContact CA-O 3.38Å; R302-G349 WeakPolarHBondContact CG-O 3.24Å; S304-G349 PolarHBondContact O-N 2.83Å; G349-K351 PolarHBondContact O-N 2.99Å
350G95.9Very high96.4Very high40 Ų4041.2 Ų41.241%0.41221%0.207SC..THydrogen-bonded Turntrans76.22.5-179.400000115.3A298A298-G350 VanDerWaalsContact O-CA 3.25Å; A298-G350 WeakPolarHBondContact O-CA 3.35Å; A298-G350 PolarHBondContact O-N 3.35Å
351K97.7Very high95.5Very high116 Ų11642.2 Ų42.250%0.50421%0.212SC..  trans-85.7159.5170.3-67.4-68.9-174.5173.40110.9A298 F347 P348 G349A298-K351 PolarHBondContact N-O 3.45Å; F347-K351 HydrophobicContact CD2-CB 4.26Å; F347-K351 HydrophobicContact CE2-CB 3.96Å; F347-K351 WeakPolarHBondContact CE2-O 3.31Å; P348-K351 HydrophobicContact CB-CG 4.05Å; P348-K351 HydrophobicContact CG-CG 4.45Å; P348-K351 WeakPolarHBondContact O-CB 3.32Å; P348-K351 PolarHBondContact O-N 2.94Å; G349-K351 PolarHBondContact O-N 2.99Å
352E97.5Very high94.3Very high90 Ų9044.8 Ų44.842%0.42123%0.23SC..EExtended strand (participates in β ladder)trans-134.2146.1169.859179-136.500109.7K295 A296 K297K295-E352 WeakPolarHBondContact CE-OE1 3.46Å; K295-E352 WeakPolarHBondContact CE-OE2 3.41Å; K295-E352 IonicContact NZ-OE1 2.79Å; K295-E352 PolarHBondContact NZ-OE1 3.27Å; K295-E352 IonicContact NZ-OE2 2.79Å; K295-E352 PolarHBondContact NZ-OE2 2.94Å; A296-E352 CarbonylContact O-C 3.59Å; A296-E352 WeakPolarHBondContact O-CA 3.32Å; K297-E352 HydrophobicContact CB-CB 4.3Å; K297-E352 HydrophobicContact CG-CB 4.36Å
353Y98.3Very high92.6Very high33 Ų3350 Ų5013%0.12927%0.266CS..EExtended strand (participates in β ladder)trans-134.5156.2178.3-60.8-51.8000109.2A296 M328 I344 F347A296-Y353 PolarHBondContact N-O 3.26Å; A296-Y353 PolarHBondContact O-N 3.32Å; M328-Y353 HydrophobicContact CB-CD1 3.58Å; M328-Y353 HydrophobicContact CB-CD2 3.86Å; M328-Y353 HydrophobicContact CB-CE1 3.81Å; M328-Y353 HydrophobicContact CB-CE2 4.03Å; M328-Y353 HydrophobicContact CB-CG 3.63Å; M328-Y353 HydrophobicContact CE-CE1 4.04Å; M328-Y353 HydrophobicContact CG-CD1 4.33Å; M328-Y353 HydrophobicContact CG-CD2 4.07Å; M328-Y353 HydrophobicContact CG-CE1 4.12Å; M328-Y353 HydrophobicContact CG-CE2 3.8Å; M328-Y353 HydrophobicContact CG-CG 4.33Å; I344-Y353 HydrophobicContact CD1-CD2 4.02Å; I344-Y353 HydrophobicContact CG2-CD2 4.4Å; I344-Y353 HydrophobicContact CG2-CE2 4.27Å; F347-Y353 HydrophobicContact CD1-CD2 4.4Å; F347-Y353 AromaticContact CD2-CD2 3.73Å; F347-Y353 HydrophobicContact CD2-CD2 3.73Å; F347-Y353 AromaticContact CD2-CE2 3.43Å; F347-Y353 HydrophobicContact CD2-CE2 3.43Å; F347-Y353 VanDerWaalsContact CD2-CE2 3.43Å; F347-Y353 HydrophobicContact CE1-CD2 4.17Å; F347-Y353 AromaticContact CE2-CD2 3.44Å; F347-Y353 HydrophobicContact CE2-CD2 3.44Å; F347-Y353 VanDerWaalsContact CE2-CD2 3.44Å; F347-Y353 AromaticContact CE2-CE2 3.56Å; F347-Y353 HydrophobicContact CE2-CE2 3.56Å; F347-Y353 HydrophobicContact CE2-CG 4.39Å; F347-Y353 HydrophobicContact CG-CD2 4.19Å; F347-Y353 HydrophobicContact CG-CE2 4.02Å; F347-Y353 AromaticContact CZ-CD2 3.69Å; F347-Y353 HydrophobicContact CZ-CD2 3.69Å; F347-Y353 HydrophobicContact CZ-CE2 4.26Å; F347-Y353 HydrophobicContact CZ-CG 4.5Å
354I98.1Very high90.8Very high53 Ų5354.5 Ų54.527%0.27229%0.293SS..EExtended strand (participates in β ladder)trans-126.4136.9-179-58.8169.5000109.4M293 V294 K295 T326 T327 R356M293-I354 HydrophobicContact CG-CG2 4.18Å; V294-I354 WeakPolarHBondContact O-CA 3.42Å; K295-I354 HydrophobicContact CG-CG1 4.35Å; T326-I354 PolarHBondContact OG1-O 3.22Å; T327-I354 HydrophobicContact CG2-CB 4.22Å; T327-I354 PolarHBondContact N-O 2.79Å; T327-I354 PolarHBondContact OG1-N 2.9Å; T327-I354 PolarHBondContact OG1-O 2.99Å; I354-R356 HydrophobicContact CG2-CG 4.38Å
355L98Very high89Confident1 Ų162.2 Ų62.21%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-112.8131.6165.116870.6000108.6V294 F324 A331 V340 W342V294-L355 HydrophobicContact CB-CB 4.26Å; V294-L355 PolarHBondContact N-O 3.37Å; V294-L355 PolarHBondContact O-N 3.13Å; F324-L355 HydrophobicContact CB-CD1 4.31Å; F324-L355 HydrophobicContact CD1-CD1 4.45Å; A331-L355 HydrophobicContact CB-CD1 3.64Å; A331-L355 HydrophobicContact CB-CD2 4.24Å; V340-L355 HydrophobicContact CG1-CD2 4.29Å; W342-L355 HydrophobicContact CB-CD2 3.95Å; W342-L355 HydrophobicContact CD2-CB 3.84Å; W342-L355 HydrophobicContact CD2-CD2 4.15Å; W342-L355 HydrophobicContact CE3-CB 3.75Å; W342-L355 HydrophobicContact CE3-CD2 4.2Å; W342-L355 HydrophobicContact CG-CB 4.46Å; W342-L355 HydrophobicContact CG-CD2 4.06Å; W342-L355 HydrophobicContact CH2-CB 4.18Å; W342-L355 HydrophobicContact CZ2-CB 4.25Å; W342-L355 HydrophobicContact CZ3-CB 3.93Å
356R97.2Very high86.9Confident148 Ų14855.8 Ų55.856%0.55833%0.326SS*.EExtended strand (participates in β ladder)trans-110122.6165.9-64.4-175.8-178.8-172-0.5108.3Y292 F324 K325 I354Y292-R356 WeakPolarHBondContact O-CA 3.46Å; F324-R356 WeakPolarHBondContact CA-O 3.44Å; K325-R356 PolarHBondContact N-O 3.26Å; K325-R356 PolarHBondContact O-N 3.12Å; I354-R356 HydrophobicContact CG2-CG 4.38Å
357A95.3Very high84.8Confident5 Ų555.9 Ų55.94%0.04134%0.336CS..EExtended strand (participates in β ladder)trans-118.4142.2173.900000109.6E291 Y292 R323 F324 F359E291-A357 WeakPolarHBondContact CA-O 3.49Å; Y292-A357 PolarHBondContact N-O 2.74Å; Y292-A357 PolarHBondContact O-N 2.83Å; R323-A357 CarbonylContact O-C 3.5Å; R323-A357 WeakPolarHBondContact O-CA 3.35Å; F324-A357 HydrophobicContact CD1-CB 3.51Å; F324-A357 HydrophobicContact CE1-CB 3.6Å; A357-F359 HydrophobicContact CB-CE2 3.71Å; A357-F359 HydrophobicContact CB-CZ 3.6Å
358S93.5Very high82.5Confident18 Ų1865.6 Ų65.613%0.12638%0.381CS..EExtended strand (participates in β ladder)trans-133.3138174.264.20000110.6R289 M290 R323R289-S358 VanDerWaalsContact NH2-CB 3.25Å; M290-S358 WeakPolarHBondContact O-CA 3.18Å; R323-S358 PolarHBondContact N-O 2.94Å; R323-S358 PolarHBondContact O-N 2.93Å
359F91.6Very high80.3Confident3 Ų370.5 Ų70.51%0.01341%0.405CS..EExtended strand (participates in β ladder)trans-130145.9-177.2-47.7-85.6000109.6R289 M290 Y292 V315 V319 P322 F324 V340 A357R289-F359 WeakPolarHBondContact CA-O 3.09Å; R289-F359 WeakPolarHBondContact CG-O 3.41Å; M290-F359 HydrophobicContact CE-CD2 4.18Å; M290-F359 PolarHBondContact N-O 3.11Å; M290-F359 PolarHBondContact O-N 2.79Å; Y292-F359 HydrophobicContact CD2-CD2 4.18Å; Y292-F359 AromaticContact CD2-CE2 3.78Å; Y292-F359 HydrophobicContact CD2-CE2 3.78Å; Y292-F359 HydrophobicContact CE2-CD2 4.47Å; Y292-F359 HydrophobicContact CE2-CE2 4.23Å; Y292-F359 HydrophobicContact CG-CE2 4.07Å; V315-F359 HydrophobicContact CG1-CE1 4.29Å; V315-F359 HydrophobicContact CG1-CE2 3.99Å; V315-F359 HydrophobicContact CG1-CZ 3.7Å; V319-F359 HydrophobicContact CB-CB 3.87Å; V319-F359 HydrophobicContact CB-CD1 3.98Å; V319-F359 HydrophobicContact CB-CG 4.07Å; V319-F359 HydrophobicContact CG1-CB 3.94Å; V319-F359 HydrophobicContact CG1-CD1 4.37Å; V319-F359 HydrophobicContact CG1-CG 4.07Å; V319-F359 HydrophobicContact CG2-CD1 4.09Å; P322-F359 HydrophobicContact CB-CD1 3.97Å; P322-F359 HydrophobicContact CB-CE1 3.99Å; F324-F359 AromaticContact CE1-CE1 4Å; F324-F359 HydrophobicContact CE1-CE1 4Å; F324-F359 HydrophobicContact CE1-CZ 4.01Å; F324-F359 HydrophobicContact CZ-CE1 4.18Å; V340-F359 HydrophobicContact CG2-CE1 3.89Å; V340-F359 HydrophobicContact CG2-CZ 3.7Å; A357-F359 HydrophobicContact CB-CE2 3.71Å; A357-F359 HydrophobicContact CB-CZ 3.6Å
360G86.3Confident78.3Confident16 Ų1677 Ų7717%0.16544%0.444CS..EExtended strand (participates in β ladder)trans-78.1147.9161.400000109.8S288 D320 S321S288-G360 WeakPolarHBondContact O-CA 3.49Å; D320-G360 PolarHBondContact N-O 2.92Å; D320-G360 PolarHBondContact O-N 2.94Å; S321-G360 PolarHBondContact OG-N 2.73Å
361L78.2Confident76.6Confident23 Ų2380.2 Ų80.212%0.1245%0.448CS..  trans-112.8140.9169.3-69.2171.5000108.9K284 S288 M290 V319K284-L361 HydrophobicContact CD-CD1 4.34Å; K284-L361 HydrophobicContact CG-CD1 4.05Å; S288-L361 PolarHBondContact O-N 2.99Å; M290-L361 HydrophobicContact CB-CD1 4.11Å; M290-L361 HydrophobicContact CB-CG 4.23Å; M290-L361 HydrophobicContact CE-CD2 4.46Å; V319-L361 HydrophobicContact CG1-CD2 4.33Å
362P70.8Confident75.1Confident64 Ų6479.3 Ų79.342%0.41646%0.457SS..  trans-64.3147.2174.923.9-30000110.5D318 V364D318-P362 HydrophobicContact CB-CG 3.89Å; D318-P362 WeakPolarHBondContact O-CD 3.38Å; P362-V364 PolarHBondContact O-N 3.23Å
363S64.2Low74.1Confident110 Ų11082 Ų8277%0.76946%0.463SS*.SBendtrans-70-9.4-178.9-46.60000114
364V61.1Low73.6Confident119 Ų11983.4 Ų83.472%0.72148%0.476SS*.SBendtrans-96.8114.4-176.6-173.40000108.4P362 G366P362-V364 PolarHBondContact O-N 3.23Å; V364-G366 PolarHBondContact O-N 2.77Å
365E58.8Low73.4Confident163 Ų16382.2 Ų82.276%0.76247%0.472SS*.  trans-66.4104.5173.4-67.1178.9177.800109.1H287H287-E365 IonicContact CE1-OE1 3.27Å
366G54Low73.3Confident67 Ų6782.2 Ų82.269%0.69147%0.472SS*.  trans-60.8149.6160.900000109.7V364V364-G366 PolarHBondContact O-N 2.77Å
367G52.2Low73.3Confident61 Ų6177.3 Ų77.363%0.62946%0.459SS*.  trans-51.7160.5-176.800000113.5D369G367-D369 PolarHBondContact O-N 3.27Å
368Q49.6Very low73.4Confident204 Ų20477.2 Ų77.295%0.95346%0.457SS*.  trans-64.546.7178.9-64.1173.52.500113.3V370Q368-V370 PolarHBondContact O-N 2.94Å; Q368-V370 VanDerWaalsContact O-N 3.09Å
369D52.2Low73.6Confident141 Ų14181 Ų8175%0.75447%0.471SS*.  trans-60.5119.7165.7-72.5-30.2000105.8G367 E371G367-D369 PolarHBondContact O-N 3.27Å; D369-E371 PolarHBondContact O-N 2.93Å
370V53.6Low73.9Confident142 Ų14281.1 Ų81.186%0.86147%0.472SS*.  trans-53.398.2173.6176.20000105.6Q368 S372Q368-V370 PolarHBondContact O-N 2.94Å; Q368-V370 VanDerWaalsContact O-N 3.09Å; V370-S372 VanDerWaalsContact C-N 3.3Å; V370-S372 PolarHBondContact O-N 2.82Å
371E60Low74.5Confident107 Ų10784.3 Ų84.350%0.548%0.483SS..  trans-56.8100.1-177.9-90176.5178.200106.5D369 R373D369-E371 PolarHBondContact O-N 2.93Å; E371-R373 PolarHBondContact O-N 2.96Å; E371-R373 VanDerWaalsContact O-N 3.17Å
372S66Low75.3Confident98 Ų9883.2 Ų83.269%0.68548%0.477SS*.  trans-56.1126.7168121.40000104.9V370 P374V370-S372 VanDerWaalsContact C-N 3.3Å; V370-S372 PolarHBondContact O-N 2.82Å; S372-P374 WeakPolarHBondContact O-CD 3.48Å
373R76.8Confident76.5Confident146 Ų14681.6 Ų81.655%0.55147%0.466SS*.  trans-101.892.2172.7-66.9-174.6-175.8176.57.8107.2E371 L423E371-R373 PolarHBondContact O-N 2.96Å; E371-R373 VanDerWaalsContact O-N 3.17Å; R373-L423 PolarHBondContact NH1-O 3.18Å; R373-L423 PolarHBondContact NH1-OXT 3.06Å
374P87.7Confident77.8Confident62 Ų6285.3 Ų85.340%0.40347%0.465SS..PPolyproline II helixtrans-58.3148.9174.5-16.329.5000109P314 S372P314-P374 HydrophobicContact CB-CB 4.11Å; P314-P374 HydrophobicContact CB-CG 4.08Å; P314-P374 HydrophobicContact CG-CB 3.83Å; P314-P374 HydrophobicContact CG-CG 4.35Å; P314-P374 WeakPolarHBondContact CG-O 3.49Å; S372-P374 WeakPolarHBondContact O-CD 3.48Å
375P93.8Very high79.2Confident28 Ų2881.1 Ų81.118%0.18244%0.437CS..PPolyproline II helixtrans-67.2152.7176.427.2-31.3000111T377 Q419 R421P375-T377 PolarHBondContact O-N 2.8Å; P375-Q419 HydrophobicContact CB-CB 3.96Å; P375-Q419 HydrophobicContact CG-CB 4.05Å; P375-Q419 HydrophobicContact CG-CG 4.24Å; P375-Q419 VanDerWaalsContact CG-OE1 3.29Å; P375-R421 HydrophobicContact CB-CG 3.96Å
376I96.3Very high80.7Confident1 Ų174.4 Ų74.41%0.00541%0.407CS..EExtended strand (participates in β ladder)trans-64.8132164.7-64.7178.4000107.9V278 A280 I311 H312 V313 V378 Q419 L420 T422V278-I376 HydrophobicContact CB-CG2 4.38Å; V278-I376 HydrophobicContact CG1-CD1 3.94Å; V278-I376 HydrophobicContact CG1-CG2 4.11Å; A280-I376 HydrophobicContact CB-CD1 3.83Å; I311-I376 HydrophobicContact CG2-CG2 3.7Å; H312-I376 WeakPolarHBondContact O-CA 3.37Å; H312-I376 WeakPolarHBondContact O-CG2 3.35Å; V313-I376 HydrophobicContact CG1-CD1 4.35Å; V313-I376 HydrophobicContact CG1-CG1 4.41Å; V313-I376 HydrophobicContact CG2-CD1 4.39Å; I376-V378 HydrophobicContact CG2-CG2 4.35Å; I376-Q419 CarbonylContact O-C 3.58Å; I376-Q419 WeakPolarHBondContact O-CA 3.49Å; I376-L420 PolarHBondContact N-O 3.26Å; I376-L420 PolarHBondContact O-N 3.24Å; I376-T422 HydrophobicContact CD1-CG2 3.43Å; I376-T422 VanDerWaalsContact CD1-CG2 3.43Å; I376-T422 HydrophobicContact CG1-CG2 3.88Å
377T97.4Very high82.4Confident46 Ų4672.5 Ų72.528%0.28238%0.382SS..EExtended strand (participates in β ladder)trans-108.8146.1172.669.50000110.6H312 P375 Y418 Q419H312-T377 VanDerWaalsContact CB-OG1 3.32Å; H312-T377 WeakPolarHBondContact CB-OG1 3.39Å; H312-T377 PolarHBondContact N-O 2.85Å; H312-T377 PolarHBondContact O-N 2.86Å; H312-T377 VanDerWaalsContact O-N 3.13Å; P375-T377 PolarHBondContact O-N 2.8Å; T377-Y418 WeakPolarHBondContact CA-O 3.19Å; T377-Q419 HydrophobicContact CG2-CG 4.21Å
378V97.8Very high84.1Confident2 Ų270.7 Ų70.71%0.01236%0.36CS..EExtended strand (participates in β ladder)trans-128.2124.8-177.9-168.20000110I276 V278 V309 E310 I311 I376 F380 N415 Y418 L420I276-V378 HydrophobicContact CB-CG1 4.29Å; I276-V378 HydrophobicContact CD1-CG1 4.29Å; I276-V378 HydrophobicContact CG2-CG1 4.13Å; V278-V378 HydrophobicContact CG2-CG2 3.78Å; V309-V378 HydrophobicContact CG1-CG1 4.21Å; E310-V378 CarbonylContact O-C 3.5Å; E310-V378 WeakPolarHBondContact O-CA 3.27Å; I311-V378 HydrophobicContact CG1-CG1 4.03Å; I311-V378 HydrophobicContact CG1-CG2 4.45Å; I376-V378 HydrophobicContact CG2-CG2 4.35Å; V378-F380 HydrophobicContact CG1-CD1 4.01Å; V378-N415 VanDerWaalsContact O-CB 3.29Å; V378-N415 WeakPolarHBondContact O-CB 3.44Å; V378-Y418 HydrophobicContact CB-CD1 3.73Å; V378-Y418 HydrophobicContact CB-CE1 4.12Å; V378-Y418 HydrophobicContact CG2-CD1 4.02Å; V378-Y418 HydrophobicContact CG2-CE1 4.18Å; V378-Y418 PolarHBondContact N-O 2.88Å; V378-Y418 VanDerWaalsContact N-O 3.12Å; V378-L420 HydrophobicContact CG2-CD1 3.67Å
379K98Very high86Confident98 Ų9862.4 Ų62.443%0.42633%0.329SS..EExtended strand (participates in β ladder)trans-103.2137.6170.5-57.5-176.9-179.4178.80110.1V309 E310 N415V309-K379 CarbonylContact C-O 3.56Å; V309-K379 VanDerWaalsContact CA-O 3.24Å; V309-K379 WeakPolarHBondContact CA-O 3.33Å; E310-K379 HydrophobicContact CB-CB 4.24Å; E310-K379 PolarHBondContact N-O 2.83Å; E310-K379 PolarHBondContact O-N 3.41Å; K379-N415 VanDerWaalsContact CA-CG 3.49Å; K379-N415 VanDerWaalsContact CA-OD1 3.24Å; K379-N415 WeakPolarHBondContact CA-OD1 3.48Å
380F97.5Very high87.8Confident6 Ų655.7 Ų55.73%0.02629%0.293CS..EExtended strand (participates in β ladder)trans-164.2157.6177.661.6-95.5000111.4L275 I276 A306 V309 V378 I382 T413 Q414 N415 Y418L275-F380 HydrophobicContact CB-CE2 4.46Å; L275-F380 HydrophobicContact CB-CZ 4.21Å; L275-F380 HydrophobicContact CD1-CE2 3.76Å; L275-F380 HydrophobicContact CD1-CZ 3.88Å; I276-F380 HydrophobicContact CD1-CB 3.74Å; I276-F380 HydrophobicContact CD1-CD1 3.8Å; I276-F380 HydrophobicContact CD1-CG 3.81Å; I276-F380 HydrophobicContact CG1-CD1 4.32Å; A306-F380 HydrophobicContact CB-CB 4.42Å; V309-F380 HydrophobicContact CG2-CB 3.95Å; V378-F380 HydrophobicContact CG1-CD1 4.01Å; F380-I382 HydrophobicContact CD2-CD1 4.17Å; F380-I382 HydrophobicContact CD2-CG1 3.87Å; F380-I382 HydrophobicContact CE2-CD1 4.19Å; F380-I382 HydrophobicContact CE2-CG1 4.26Å; F380-T413 HydrophobicContact CE2-CG2 4.4Å; F380-Q414 VanDerWaalsContact O-CA 3.28Å; F380-Q414 WeakPolarHBondContact O-CA 3.4Å; F380-N415 HydrophobicContact CD1-CB 3.96Å; F380-N415 HydrophobicContact CE1-CB 3.79Å; F380-N415 HydrophobicContact CG-CB 4.5Å; F380-N415 HydrophobicContact CZ-CB 4.19Å; F380-N415 PolarHBondContact N-OD1 2.72Å; F380-N415 PolarHBondContact O-N 2.79Å; F380-N415 VanDerWaalsContact O-N 3.14Å; F380-N415 PolarHBondContact O-OD1 2.79Å; F380-Y418 HydrophobicContact CE1-CD1 4.33Å; F380-Y418 AromaticContact CE1-CD2 3.77Å; F380-Y418 HydrophobicContact CE1-CD2 3.77Å; F380-Y418 HydrophobicContact CE1-CE1 4.31Å; F380-Y418 AromaticContact CE1-CE2 3.79Å; F380-Y418 HydrophobicContact CE1-CE2 3.79Å; F380-Y418 HydrophobicContact CE1-CG 4.04Å; F380-Y418 HydrophobicContact CZ-CD2 4.06Å; F380-Y418 AromaticContact CZ-CE2 3.96Å; F380-Y418 HydrophobicContact CZ-CE2 3.96Å
381E97.5Very high89.5Confident83 Ų8353.1 Ų53.139%0.38827%0.271SS..EExtended strand (participates in β ladder)trans-130.9131.1167.9-171.8-171.799.300109.8A306 N307 I412 T413A306-E381 CarbonylContact C-O 3.53Å; A306-E381 WeakPolarHBondContact CA-O 3.37Å; N307-E381 PolarHBondContact N-O 3.09Å; N307-E381 PolarHBondContact O-N 2.87Å; E381-I412 HydrophobicContact CG-CG2 3.64Å; E381-T413 CarbonylContact C-O 3.57Å
382I96.8Very high90.9Very high0 Ų049 Ų490%025%0.254CS..EExtended strand (participates in β ladder)trans-118.1103.2177.1-47.9-177.6000108.1L275 F300 A306 F380 F385 T413L275-I382 HydrophobicContact CB-CD1 4.39Å; L275-I382 HydrophobicContact CD1-CD1 4.02Å; F300-I382 HydrophobicContact CD1-CD1 3.65Å; F300-I382 HydrophobicContact CD2-CD1 4.43Å; F300-I382 HydrophobicContact CE1-CD1 3.7Å; F300-I382 HydrophobicContact CE2-CD1 4.46Å; F300-I382 HydrophobicContact CG-CD1 4.03Å; F300-I382 HydrophobicContact CZ-CD1 4.12Å; A306-I382 HydrophobicContact CB-CD1 4.38Å; A306-I382 HydrophobicContact CB-CG1 3.84Å; F380-I382 HydrophobicContact CD2-CD1 4.17Å; F380-I382 HydrophobicContact CD2-CG1 3.87Å; F380-I382 HydrophobicContact CE2-CD1 4.19Å; F380-I382 HydrophobicContact CE2-CG1 4.26Å; I382-F385 HydrophobicContact CB-CB 4.28Å; I382-F385 HydrophobicContact CB-CD1 4.27Å; I382-F385 HydrophobicContact CD1-CD1 4.33Å; I382-F385 HydrophobicContact CG2-CB 3.62Å; I382-F385 HydrophobicContact CG2-CD1 4.04Å; I382-F385 HydrophobicContact CG2-CG 3.97Å; I382-T413 PolarHBondContact N-O 3.48Å; I382-T413 PolarHBondContact O-N 2.85Å
383P95.4Very high91.8Very high30 Ų3049.1 Ų49.120%0.19524%0.243CC..EExtended strand (participates in β ladder)trans-73.8157175.832.3-37.2000111.6T305 F385 Y411T305-P383 WeakPolarHBondContact O-CD 3.38Å; P383-F385 PolarHBondContact O-N 3.03Å; P383-Y411 CarbonylContact C-O 3.44Å
384Y91.6Very high92.3Very high188 Ų18846.1 Ų46.174%0.73724%0.235SC*.THydrogen-bonded Turntrans56.832.1179.6-45.2-71.6000113.7Y411Y384-Y411 VanDerWaalsContact CA-O 3.29Å; Y384-Y411 WeakPolarHBondContact CA-O 3.34Å; Y384-Y411 PolarHBondContact N-O 3.26Å
385F89.1Confident92.5Very high31 Ų3144.2 Ų44.214%0.13622%0.222CC..  trans-141135.1-175.3-176-105.5000110.8L275 F300 I382 P383 V387 Y411 I412 T413L275-F385 HydrophobicContact CD1-CE1 4.23Å; L275-F385 HydrophobicContact CD2-CE1 3.94Å; L275-F385 HydrophobicContact CD2-CZ 4.21Å; F300-F385 HydrophobicContact CB-CZ 4.36Å; I382-F385 HydrophobicContact CB-CB 4.28Å; I382-F385 HydrophobicContact CB-CD1 4.27Å; I382-F385 HydrophobicContact CD1-CD1 4.33Å; I382-F385 HydrophobicContact CG2-CB 3.62Å; I382-F385 HydrophobicContact CG2-CD1 4.04Å; I382-F385 HydrophobicContact CG2-CG 3.97Å; P383-F385 PolarHBondContact O-N 3.03Å; F385-V387 HydrophobicContact CD1-CG2 4.24Å; F385-V387 HydrophobicContact CE1-CG2 3.59Å; F385-V387 HydrophobicContact CZ-CG2 4.43Å; F385-Y411 PolarHBondContact N-O 3.28Å; F385-I412 CarbonylContact O-C 3.6Å; F385-T413 HydrophobicContact CD1-CG2 4.36Å; F385-T413 WeakPolarHBondContact CD1-OG1 3.49Å; F385-T413 PolarHBondContact O-N 2.78Å; F385-T413 PolarHBondContact O-OG1 3.35Å
386T90.4Very high92.4Very high22 Ų2248.8 Ų48.814%0.13524%0.239CC..  trans-119.5142.7164.751.50000108.9V174 E176 L390 Y411V174-T386 HydrophobicContact CG1-CG2 4.05Å; E176-T386 WeakPolarHBondContact OE2-CA 3.39Å; E176-T386 WeakPolarHBondContact OE2-CB 3.43Å; T386-L390 PolarHBondContact OG1-O 2.9Å; T386-L390 VanDerWaalsContact OG1-O 3.05Å; T386-Y411 HydrophobicContact CG2-CD1 3.4Å; T386-Y411 VanDerWaalsContact CG2-CD1 3.4Å; T386-Y411 HydrophobicContact CG2-CE1 4.32Å; T386-Y411 HydrophobicContact CG2-CG 3.97Å
387V90.1Very high92.2Very high27 Ų2750.8 Ų50.816%0.16425%0.249CC..SBendtrans-85.8-39.5179177.40000110.3E176 V178 I193 V272 L275 F385 G389 T413E176-V387 PolarHBondContact OE2-N 2.84Å; V178-V387 HydrophobicContact CG2-CB 4.31Å; V178-V387 HydrophobicContact CG2-CG1 4.36Å; V178-V387 HydrophobicContact CG2-CG2 3.75Å; I193-V387 HydrophobicContact CD1-CB 3.98Å; I193-V387 HydrophobicContact CD1-CG1 3.61Å; I193-V387 HydrophobicContact CG1-CG1 4.21Å; V272-V387 HydrophobicContact CB-CG1 4.03Å; V272-V387 HydrophobicContact CG1-CG1 3.2Å; V272-V387 HydrophobicContact CG2-CG1 3.58Å; L275-V387 HydrophobicContact CD1-CG2 3.65Å; L275-V387 HydrophobicContact CD2-CG2 4.26Å; L275-V387 HydrophobicContact CG-CG2 4.44Å; F385-V387 HydrophobicContact CD1-CG2 4.24Å; F385-V387 HydrophobicContact CE1-CG2 3.59Å; F385-V387 HydrophobicContact CZ-CG2 4.43Å; V387-G389 PolarHBondContact O-N 3.36Å; V387-T413 HydrophobicContact CG2-CG2 3.31Å
388S89.2Confident92Very high23 Ų2351.5 Ų51.516%0.16125%0.25CS..SBendtrans-66.8-22.4177.467.30000112.8E176 V230 L390E176-S388 WeakPolarHBondContact OE1-CB 3.44Å; E176-S388 PolarHBondContact OE1-OG 2.84Å; E176-S388 PolarHBondContact OE2-N 2.89Å; E176-S388 VanDerWaalsContact OE2-N 3.16Å; E176-S388 PolarHBondContact OE2-OG 3.04Å; V230-S388 WeakPolarHBondContact CG2-O 3.38Å; S388-L390 VanDerWaalsContact C-N 3.32Å; S388-L390 WeakPolarHBondContact OG-CB 3.47Å; S388-L390 PolarHBondContact OG-N 3.33Å
389G88.7Confident91.6Very high29 Ų2953.2 Ų53.230%0.29926%0.258SS..  trans80.511.8-166.500000113.6N214 V387 Q391N214-G389 PolarHBondContact ND2-O 3.12Å; V387-G389 PolarHBondContact O-N 3.36Å; G389-Q391 PolarHBondContact O-N 2.93Å
390L89.7Confident91Very high1 Ų158.4 Ų58.41%0.00528%0.281CS..  trans-59132174.4-171.372.1000109.7V174 I197 V213 N214 L232 Y266 T386 S388V174-L390 HydrophobicContact CG1-CD2 3.85Å; I197-L390 HydrophobicContact CD1-CD2 4.38Å; V213-L390 HydrophobicContact CB-CD1 4.03Å; V213-L390 HydrophobicContact CG1-CD1 4.43Å; N214-L390 WeakPolarHBondContact OD1-CA 3.48Å; N214-L390 WeakPolarHBondContact OD1-CD1 3.48Å; L232-L390 HydrophobicContact CD1-CD1 4.27Å; L232-L390 HydrophobicContact CD2-CD1 4.21Å; Y266-L390 HydrophobicContact CE1-CD2 3.79Å; Y266-L390 HydrophobicContact CE2-CD2 4.15Å; Y266-L390 VanDerWaalsContact CZ-CD2 3.44Å; Y266-L390 WeakPolarHBondContact OH-CD2 3.32Å; T386-L390 PolarHBondContact OG1-O 2.9Å; T386-L390 VanDerWaalsContact OG1-O 3.05Å; S388-L390 VanDerWaalsContact C-N 3.32Å; S388-L390 WeakPolarHBondContact OG-CB 3.47Å; S388-L390 PolarHBondContact OG-N 3.33Å
391Q90.1Very high90.4Very high87 Ų8762 Ų6241%0.40731%0.307SS..  trans-138.7131.7-177.7-71-177.8-5.800109.3N214 G389 H393N214-Q391 PolarHBondContact N-O 2.79Å; N214-Q391 PolarHBondContact OD1-N 3.36Å; N214-Q391 PolarHBondContact OD1-O 3.11Å; G389-Q391 PolarHBondContact O-N 2.93Å; Q391-H393 PolarHBondContact O-N 3.13Å
392V89.6Confident89.7Confident21 Ų2160.7 Ų60.713%0.12732%0.316CS..EExtended strand (participates in β ladder)trans-78.6112.2168.5178.20000108L172 V174 L211 V409 Y411L172-V392 HydrophobicContact CD1-CG2 4.37Å; L172-V392 HydrophobicContact CD2-CG2 3.79Å; V174-V392 HydrophobicContact CG2-CG2 4.08Å; L211-V392 HydrophobicContact CD1-CB 4.47Å; L211-V392 HydrophobicContact CD1-CG1 3.53Å; L211-V392 HydrophobicContact CD1-CG2 4.21Å; V392-V409 HydrophobicContact CB-CG1 4.15Å; V392-V409 HydrophobicContact CB-CG2 4.48Å; V392-V409 HydrophobicContact CG1-CG2 4.29Å; V392-V409 HydrophobicContact CG2-CG1 4.06Å; V392-Y411 PolarHBondContact N-OH 2.79Å
393H84.7Confident89.2Confident100 Ų10063 Ų6346%0.46332%0.324SS..EExtended strand (participates in β ladder)trans-76.5-41.3176.7-86.7-63.4000112.4G212 N214 F219 Q391G212-H393 PolarHBondContact O-N 3.32Å; N214-H393 WeakPolarHBondContact CB-NE2 3.44Å; F219-H393 AromaticContact CE2-NE2 3.5Å; F219-H393 WeakPolarHBondContact CE2-NE2 3.42Å; F219-H393 AromaticContact CZ-NE2 3.36Å; F219-H393 WeakPolarHBondContact CZ-NE2 3.28Å; Q391-H393 PolarHBondContact O-N 3.13Å
394H87.5Confident88.8Confident83 Ų8370.3 Ų70.338%0.38436%0.356SS..EExtended strand (participates in β ladder)trans-158.6150.5178.358.8-94.9000111.3G212G212-H394 PolarHBondContact N-O 3.12Å; G212-H394 PolarHBondContact O-N 3.08Å
395L91.2Very high88.7Confident23 Ų2362.5 Ų62.512%0.1233%0.33CS..EExtended strand (participates in β ladder)trans-126.3108.1165.1178.460.5000107.3V170 L172 L209 R210 L211 P407V170-L395 HydrophobicContact CG1-CD2 3.71Å; V170-L395 HydrophobicContact CG2-CD2 4.19Å; L172-L395 HydrophobicContact CD1-CD2 4.38Å; L209-L395 HydrophobicContact CB-CD1 4.29Å; L209-L395 HydrophobicContact CD1-CD1 4.42Å; R210-L395 WeakPolarHBondContact O-CA 3.37Å; L211-L395 HydrophobicContact CB-CD1 4.28Å; L211-L395 HydrophobicContact CD1-CD1 4.36Å; L395-P407 HydrophobicContact CD2-CB 4Å
396K91.6Very high88.5Confident124 Ų12465.6 Ų65.654%0.53935%0.347SS..EExtended strand (participates in β ladder)trans-95.7128.8177.3-170.8176.9-179177.40109.2L209 R210 I398L209-K396 WeakPolarHBondContact CA-O 3.5Å; R210-K396 HydrophobicContact CB-CB 4.33Å; R210-K396 PolarHBondContact N-O 3.29Å; R210-K396 PolarHBondContact O-N 2.9Å; K396-I398 HydrophobicContact CD-CD1 4.15Å; K396-I398 HydrophobicContact CD-CG1 4.19Å; K396-I398 HydrophobicContact CG-CD1 4.43Å; K396-I398 HydrophobicContact CG-CG1 4.02Å
397I93.1Very high88.5Confident42 Ų4267.5 Ų67.522%0.21536%0.36CS..EExtended strand (participates in β ladder)trans-106.4121.9177.5-53.4168.9000107.1V170 L203 P207 L209 Y403 A405V170-I397 HydrophobicContact CG1-CD1 3.76Å; L203-I397 HydrophobicContact CD1-CG2 4.15Å; P207-I397 HydrophobicContact CB-CG2 4.36Å; L209-I397 HydrophobicContact CD2-CB 3.85Å; L209-I397 HydrophobicContact CD2-CG1 3.59Å; L209-I397 HydrophobicContact CD2-CG2 3.75Å; I397-Y403 HydrophobicContact CG2-CE2 4.46Å; I397-A405 HydrophobicContact CD1-CB 3.47Å; I397-A405 VanDerWaalsContact CD1-CB 3.47Å; I397-A405 HydrophobicContact CG2-CB 4.41Å
398I91.9Very high88.7Confident62 Ų6273 Ų7332%0.31838%0.378SS..EExtended strand (participates in β ladder)trans-122.9114.3-178.7-53.4172.1000107.9P207 E208 R210 K396P207-I398 CarbonylContact C-O 3.5Å; P207-I398 WeakPolarHBondContact CA-O 3.44Å; E208-I398 HydrophobicContact CB-CB 4.41Å; E208-I398 PolarHBondContact N-O 3.28Å; E208-I398 WeakPolarHBondContact O-CB 3.32Å; E208-I398 PolarHBondContact O-N 3.19Å; R210-I398 HydrophobicContact CG-CD1 4.48Å; K396-I398 HydrophobicContact CD-CD1 4.15Å; K396-I398 HydrophobicContact CD-CG1 4.19Å; K396-I398 HydrophobicContact CG-CD1 4.43Å; K396-I398 HydrophobicContact CG-CG1 4.02Å
399E89.6Confident88.9Confident37 Ų3774.7 Ų74.717%0.17339%0.387CS..  trans-141143.5178.7178.445.3-13000109.9M206 P207 S401 G402 Y403M206-E399 PolarHBondContact N-OE2 3.23Å; P207-E399 WeakPolarHBondContact CA-OE2 3.46Å; P207-E399 HydrophobicContact CB-CB 4.26Å; E399-S401 VanDerWaalsContact C-N 3.27Å; E399-S401 WeakPolarHBondContact CG-OG 3.47Å; E399-S401 PolarHBondContact O-N 3.26Å; E399-G402 PolarHBondContact O-N 2.99Å; E399-Y403 HydrophobicContact CB-CE1 4.01Å; E399-Y403 HydrophobicContact CG-CD1 4.17Å; E399-Y403 HydrophobicContact CG-CE1 3.42Å; E399-Y403 VanDerWaalsContact CG-CE1 3.42Å
400K86.2Confident89.2Confident208 Ų20878.4 Ų78.490%0.90439%0.392SS*.THydrogen-bonded Turntrans-60.8-35.9-173.4-69.2178.7-179.1172.80112.8G402K400-G402 PolarHBondContact O-N 2.95Å
401S84.3Confident89.5Confident81 Ų8180.7 Ų80.757%0.56640%0.401SS*.THydrogen-bonded Turntrans-71.1-12.5178.359.10000113.8E399 Y403E399-S401 VanDerWaalsContact C-N 3.27Å; E399-S401 WeakPolarHBondContact CG-OG 3.47Å; E399-S401 PolarHBondContact O-N 3.26Å; S401-Y403 PolarHBondContact O-N 2.82Å; S401-Y403 WeakPolarHBondContact OG-CD1 3.49Å
402G82.7Confident89.8Confident56 Ų5677.3 Ų77.358%0.57739%0.386SS*.  trans6420.7174.800000114.9E399 K400E399-G402 PolarHBondContact O-N 2.99Å; K400-G402 PolarHBondContact O-N 2.95Å
403Y87.5Confident90.2Very high47 Ų4776.3 Ų76.318%0.18438%0.38CS..  trans-60.3150.9177.558.9-112.2000111.6N168 L203 S204 I397 E399 S401 A405N168-Y403 HydrophobicContact CB-CD2 3.63Å; N168-Y403 HydrophobicContact CB-CE2 3.68Å; N168-Y403 HydrophobicContact CB-CG 4.37Å; L203-Y403 WeakPolarHBondContact CB-OH 3.45Å; L203-Y403 HydrophobicContact CD2-CE2 4.08Å; S204-Y403 PolarHBondContact N-OH 3.39Å; S204-Y403 VanDerWaalsContact O-CE1 3.25Å; S204-Y403 WeakPolarHBondContact O-CE1 3.36Å; S204-Y403 PolarHBondContact O-OH 2.76Å; I397-Y403 HydrophobicContact CG2-CE2 4.46Å; E399-Y403 HydrophobicContact CB-CE1 4.01Å; E399-Y403 HydrophobicContact CG-CD1 4.17Å; E399-Y403 HydrophobicContact CG-CE1 3.42Å; E399-Y403 VanDerWaalsContact CG-CE1 3.42Å; S401-Y403 PolarHBondContact O-N 2.82Å; S401-Y403 WeakPolarHBondContact OG-CD1 3.49Å; Y403-A405 HydrophobicContact CD2-CB 4.03Å; Y403-A405 HydrophobicContact CE2-CB 3.88Å
404H85.8Confident90.7Very high185 Ų18574.6 Ų74.686%0.85637%0.372SS*.  trans-75.3134.3166.8-67.5-71.5000110
405A88.8Confident91.1Very high23 Ų2372.6 Ų72.619%0.1936%0.364CS..  trans-130.3145.2174.400000110.5N168 L203 I397 Y403 P407N168-A405 HydrophobicContact CB-CB 4.02Å; N168-A405 WeakPolarHBondContact O-CA 3.38Å; L203-A405 HydrophobicContact CD2-CB 3.76Å; I397-A405 HydrophobicContact CD1-CB 3.47Å; I397-A405 VanDerWaalsContact CD1-CB 3.47Å; I397-A405 HydrophobicContact CG2-CB 4.41Å; Y403-A405 HydrophobicContact CD2-CB 4.03Å; Y403-A405 HydrophobicContact CE2-CB 3.88Å; A405-P407 WeakPolarHBondContact O-CD 3.37Å
406L85.8Confident91.3Very high96 Ų9672.6 Ų72.650%0.50337%0.37SS..EExtended strand (participates in β ladder)trans-101.9111.2-177.6-68.1171000110.2N168 V170N168-L406 PolarHBondContact O-N 3.42Å; V170-L406 PolarHBondContact N-O 2.93Å; V170-L406 VanDerWaalsContact N-O 3.12Å
407P91.1Very high91.5Very high63 Ų6370 Ų7041%0.40936%0.362SS..EExtended strand (participates in β ladder)trans-83.9129.9171.932.8-32.5000110.9V170 L395 A405V170-P407 HydrophobicContact CG1-CB 3.93Å; V170-P407 CarbonylContact O-C 3.48Å; V170-P407 WeakPolarHBondContact O-CA 3.35Å; L395-P407 HydrophobicContact CD2-CB 4Å; A405-P407 WeakPolarHBondContact O-CD 3.37Å
408W93.4Very high91.6Very high143 Ų14368.2 Ų68.254%0.54235%0.352SS..EExtended strand (participates in β ladder)trans-111.1130.9171.3-66.191.2000109.1V170 F171 L172V170-W408 PolarHBondContact O-N 3.22Å; F171-W408 CarbonylContact C-O 3.47Å; F171-W408 HydrophobicContact CD1-CB 3.55Å; F171-W408 AromaticContact CD1-CD1 3.75Å; F171-W408 AromaticContact CD1-CG 3.75Å; F171-W408 HydrophobicContact CD1-CG 3.75Å; F171-W408 HydrophobicContact CE1-CB 4.05Å; F171-W408 AromaticContact CE1-CD1 3.42Å; F171-W408 VanDerWaalsContact CE1-CD1 3.42Å; F171-W408 HydrophobicContact CE1-CD2 4.44Å; F171-W408 AromaticContact CE1-CG 3.71Å; F171-W408 HydrophobicContact CE1-CG 3.71Å; F171-W408 AromaticContact CE1-NE1 3.99Å; F171-W408 HydrophobicContact CG-CB 4.36Å; L172-W408 PolarHBondContact N-O 2.91Å
409V94.5Very high91.8Very high58 Ų5867.4 Ų67.435%0.35235%0.347SS..EExtended strand (participates in β ladder)trans-122.8126.2176.2-178.90000108.6L172 V392 Y411L172-V409 HydrophobicContact CB-CG2 4.36Å; L172-V409 HydrophobicContact CD2-CG1 4.2Å; L172-V409 WeakPolarHBondContact O-CA 3.41Å; V392-V409 HydrophobicContact CB-CG1 4.15Å; V392-V409 HydrophobicContact CB-CG2 4.48Å; V392-V409 HydrophobicContact CG1-CG2 4.29Å; V392-V409 HydrophobicContact CG2-CG1 4.06Å; V409-Y411 HydrophobicContact CG1-CD2 4.47Å; V409-Y411 HydrophobicContact CG1-CE1 4.26Å; V409-Y411 HydrophobicContact CG1-CE2 3.75Å
410R94.6Very high92.1Very high107 Ų10765.8 Ų65.840%0.40434%0.34SS..EExtended strand (participates in β ladder)trans-128.2154.4167.562.3174.7-180168.86110.9L172 D173 V174L172-R410 PolarHBondContact O-N 2.84Å; D173-R410 HydrophobicContact CB-CG 4.44Å; D173-R410 WeakPolarHBondContact OD1-CD 3.1Å; D173-R410 WeakPolarHBondContact OD1-CG 3.44Å; D173-R410 IonicContact OD1-CZ 3.32Å; D173-R410 IonicContact OD1-NE 3.14Å; D173-R410 PolarHBondContact OD1-NE 2.77Å; D173-R410 IonicContact OD1-NH2 2.68Å; D173-R410 IonicContact OD2-CZ 3.88Å; D173-R410 VanDerWaalsContact OD2-CZ 3.32Å; D173-R410 IonicContact OD2-NE 3.67Å; D173-R410 PolarHBondContact OD2-NE 2.87Å; D173-R410 VanDerWaalsContact OD2-NE 3.14Å; D173-R410 IonicContact OD2-NH2 3.81Å; D173-R410 PolarHBondContact OD2-NH2 2.82Å; V174-R410 PolarHBondContact N-O 2.9Å
411Y96.6Very high92.4Very high49 Ų4961.8 Ų61.819%0.19232%0.319CS..EExtended strand (participates in β ladder)trans-120.6133-178.5-58.8-84.2000108V174 P383 Y384 F385 T386 V392 V409V174-Y411 HydrophobicContact CB-CD1 3.69Å; V174-Y411 HydrophobicContact CB-CE1 4.19Å; V174-Y411 HydrophobicContact CG1-CD1 4.16Å; V174-Y411 HydrophobicContact CG2-CD1 3.87Å; V174-Y411 HydrophobicContact CG2-CE1 3.84Å; V174-Y411 CarbonylContact O-C 3.48Å; V174-Y411 WeakPolarHBondContact O-CA 3.49Å; P383-Y411 CarbonylContact C-O 3.44Å; Y384-Y411 VanDerWaalsContact CA-O 3.29Å; Y384-Y411 WeakPolarHBondContact CA-O 3.34Å; Y384-Y411 PolarHBondContact N-O 3.26Å; F385-Y411 PolarHBondContact N-O 3.28Å; T386-Y411 HydrophobicContact CG2-CD1 3.4Å; T386-Y411 VanDerWaalsContact CG2-CD1 3.4Å; T386-Y411 HydrophobicContact CG2-CE1 4.32Å; T386-Y411 HydrophobicContact CG2-CG 3.97Å; V392-Y411 PolarHBondContact N-OH 2.79Å; V409-Y411 HydrophobicContact CG1-CD2 4.47Å; V409-Y411 HydrophobicContact CG1-CE1 4.26Å; V409-Y411 HydrophobicContact CG1-CE2 3.75Å
412I96.2Very high92.2Very high15 Ų1559.1 Ų59.18%0.07730%0.299CS..EExtended strand (participates in β ladder)trans-135.8127.7-178.8-57.9173.5000107V174 V175 E176 E381 F385V174-I412 PolarHBondContact O-N 2.87Å; V175-I412 CarbonylContact C-O 3.6Å; V175-I412 WeakPolarHBondContact CA-O 3.48Å; V175-I412 HydrophobicContact CG2-CB 4.5Å; E176-I412 PolarHBondContact N-O 3.35Å; E381-I412 HydrophobicContact CG-CG2 3.64Å; F385-I412 CarbonylContact O-C 3.6Å
413T96.4Very high91.5Very high0 Ų063.7 Ų63.70%031%0.31CS..EExtended strand (participates in β ladder)trans-110133.7166.3-62.40000108.5E176 V178 L275 F380 E381 I382 F385 V387E176-T413 CarbonylContact O-C 3.6Å; E176-T413 VanDerWaalsContact O-CA 3.28Å; E176-T413 WeakPolarHBondContact O-CA 3.19Å; V178-T413 HydrophobicContact CG2-CG2 3.87Å; L275-T413 HydrophobicContact CD1-CG2 3.7Å; F380-T413 HydrophobicContact CE2-CG2 4.4Å; E381-T413 CarbonylContact C-O 3.57Å; I382-T413 PolarHBondContact N-O 3.48Å; I382-T413 PolarHBondContact O-N 2.85Å; F385-T413 HydrophobicContact CD1-CG2 4.36Å; F385-T413 WeakPolarHBondContact CD1-OG1 3.49Å; F385-T413 PolarHBondContact O-N 2.78Å; F385-T413 PolarHBondContact O-OG1 3.35Å; V387-T413 HydrophobicContact CG2-CG2 3.31Å
414Q96.8Very high91.7Very high65 Ų6564.5 Ų64.530%0.30432%0.316SS..EExtended strand (participates in β ladder)trans-131.7169175.862.8-173.79.300110.7E176 S177 V178 F380E176-Q414 PolarHBondContact O-N 2.83Å; S177-Q414 WeakPolarHBondContact CA-O 3.36Å; S177-Q414 PolarHBondContact OG-NE2 3.34Å; V178-Q414 PolarHBondContact N-O 2.9Å; F380-Q414 VanDerWaalsContact O-CA 3.28Å; F380-Q414 WeakPolarHBondContact O-CA 3.4Å
415N95.9Very high92Very high40 Ų4058.2 Ų58.221%0.21429%0.288CS..EExtended strand (participates in β ladder)trans-68.6138.816967.7-79.9000110.3V378 K379 F380V378-N415 VanDerWaalsContact O-CB 3.29Å; V378-N415 WeakPolarHBondContact O-CB 3.44Å; K379-N415 VanDerWaalsContact CA-CG 3.49Å; K379-N415 VanDerWaalsContact CA-OD1 3.24Å; K379-N415 WeakPolarHBondContact CA-OD1 3.48Å; F380-N415 HydrophobicContact CD1-CB 3.96Å; F380-N415 HydrophobicContact CE1-CB 3.79Å; F380-N415 HydrophobicContact CG-CB 4.5Å; F380-N415 HydrophobicContact CZ-CB 4.19Å; F380-N415 PolarHBondContact N-OD1 2.72Å; F380-N415 PolarHBondContact O-N 2.79Å; F380-N415 VanDerWaalsContact O-N 3.14Å; F380-N415 PolarHBondContact O-OD1 2.79Å
416G95.1Very high92.2Very high24 Ų2460.1 Ų60.125%0.24729%0.293CS..EExtended strand (participates in β ladder)trans-94.5-127.1155.100000108.8V178 N179 Y418V178-G416 WeakPolarHBondContact O-CA 3.42Å; V178-G416 PolarHBondContact O-N 2.86Å; N179-G416 WeakPolarHBondContact OD1-CA 3.24Å; G416-Y418 PolarHBondContact O-N 2.86Å; G416-Y418 VanDerWaalsContact O-N 3.16Å
417D94.4Very high92.6Very high70 Ų7058 Ų5837%0.37428%0.281SS..EExtended strand (participates in β ladder)trans-77.591167.9-17426.2000110.2N179 L180 Q419N179-D417 CarbonylContact C-O 3.51Å; N179-D417 WeakPolarHBondContact CA-O 3.48Å; N179-D417 PolarHBondContact OD1-N 3.17Å; L180-D417 PolarHBondContact N-O 2.64Å; L180-D417 VanDerWaalsContact O-O 3.13Å; D417-Q419 VanDerWaalsContact OD1-CD 3.31Å; D417-Q419 VanDerWaalsContact OD1-CG 3.31Å; D417-Q419 WeakPolarHBondContact OD1-CG 3.33Å; D417-Q419 PolarHBondContact OD1-NE2 3.09Å
418Y96.9Very high92.7Very high3 Ų357.7 Ų57.71%0.01227%0.273CS..EExtended strand (participates in β ladder)trans-114.199.7-171.7-162-77.9000111V178 L180 P274 L275 I276 T377 V378 F380 G416 L420V178-Y418 HydrophobicContact CG1-CD2 4.38Å; V178-Y418 HydrophobicContact CG1-CE2 4.36Å; L180-Y418 HydrophobicContact CB-CD2 3.65Å; L180-Y418 HydrophobicContact CB-CE2 3.8Å; L180-Y418 HydrophobicContact CB-CG 4.2Å; L180-Y418 HydrophobicContact CD2-CD1 4.43Å; L180-Y418 HydrophobicContact CD2-CD2 4.11Å; L180-Y418 HydrophobicContact CD2-CE1 3.89Å; L180-Y418 HydrophobicContact CD2-CE2 3.49Å; L180-Y418 VanDerWaalsContact CD2-CE2 3.49Å; L180-Y418 HydrophobicContact CG-CE2 4.27Å; L180-Y418 WeakPolarHBondContact O-CA 3.46Å; P274-Y418 VanDerWaalsContact C-OH 3.29Å; P274-Y418 VanDerWaalsContact CA-OH 3.3Å; P274-Y418 WeakPolarHBondContact CA-OH 3.36Å; P274-Y418 VanDerWaalsContact CB-OH 3.29Å; P274-Y418 WeakPolarHBondContact CB-OH 3.31Å; L275-Y418 PolarHBondContact N-OH 2.73Å; I276-Y418 PolarHBondContact N-OH 2.99Å; I276-Y418 VanDerWaalsContact O-CE1 3.29Å; I276-Y418 WeakPolarHBondContact O-CE1 3.44Å; I276-Y418 PolarHBondContact O-OH 2.89Å; T377-Y418 WeakPolarHBondContact CA-O 3.19Å; V378-Y418 HydrophobicContact CB-CD1 3.73Å; V378-Y418 HydrophobicContact CB-CE1 4.12Å; V378-Y418 HydrophobicContact CG2-CD1 4.02Å; V378-Y418 HydrophobicContact CG2-CE1 4.18Å; V378-Y418 PolarHBondContact N-O 2.88Å; V378-Y418 VanDerWaalsContact N-O 3.12Å; F380-Y418 HydrophobicContact CE1-CD1 4.33Å; F380-Y418 AromaticContact CE1-CD2 3.77Å; F380-Y418 HydrophobicContact CE1-CD2 3.77Å; F380-Y418 HydrophobicContact CE1-CE1 4.31Å; F380-Y418 AromaticContact CE1-CE2 3.79Å; F380-Y418 HydrophobicContact CE1-CE2 3.79Å; F380-Y418 HydrophobicContact CE1-CG 4.04Å; F380-Y418 HydrophobicContact CZ-CD2 4.06Å; F380-Y418 AromaticContact CZ-CE2 3.96Å; F380-Y418 HydrophobicContact CZ-CE2 3.96Å; G416-Y418 PolarHBondContact O-N 2.86Å; G416-Y418 VanDerWaalsContact O-N 3.16Å; Y418-L420 HydrophobicContact CD1-CD1 3.98Å; Y418-L420 HydrophobicContact CE1-CD1 3.8Å
419Q96.2Very high92.7Very high46 Ų4652 Ų5222%0.21526%0.255CS..EExtended strand (participates in β ladder)trans-127.1133.5-167.7-57.5-170.31.600112.2L180 L181 V182 P375 I376 T377 D417L180-Q419 PolarHBondContact O-N 2.99Å; L181-Q419 WeakPolarHBondContact CA-O 3.49Å; L181-Q419 HydrophobicContact CD1-CB 3.76Å; V182-Q419 PolarHBondContact N-O 2.72Å; P375-Q419 HydrophobicContact CB-CB 3.96Å; P375-Q419 HydrophobicContact CG-CB 4.05Å; P375-Q419 HydrophobicContact CG-CG 4.24Å; P375-Q419 VanDerWaalsContact CG-OE1 3.29Å; I376-Q419 CarbonylContact O-C 3.58Å; I376-Q419 WeakPolarHBondContact O-CA 3.49Å; T377-Q419 HydrophobicContact CG2-CG 4.21Å; D417-Q419 VanDerWaalsContact OD1-CD 3.31Å; D417-Q419 VanDerWaalsContact OD1-CG 3.31Å; D417-Q419 WeakPolarHBondContact OD1-CG 3.33Å; D417-Q419 PolarHBondContact OD1-NE2 3.09Å
420L95.2Very high92.5Very high3 Ų351.6 Ų51.62%0.01625%0.248CC..EExtended strand (participates in β ladder)trans-124.6116173.7-54.496.7000109.6V182 W277 V278 I376 V378 Y418V182-L420 HydrophobicContact CB-CB 4.44Å; V182-L420 HydrophobicContact CB-CD2 4.48Å; V182-L420 HydrophobicContact CB-CG 4.35Å; V182-L420 HydrophobicContact CG2-CD2 4.21Å; V182-L420 HydrophobicContact CG2-CG 4.22Å; W277-L420 HydrophobicContact CD2-CD2 4.34Å; W277-L420 HydrophobicContact CE3-CD2 3.94Å; W277-L420 HydrophobicContact CZ3-CD2 4.36Å; V278-L420 HydrophobicContact CB-CD1 4.4Å; I376-L420 PolarHBondContact N-O 3.26Å; I376-L420 PolarHBondContact O-N 3.24Å; V378-L420 HydrophobicContact CG2-CD1 3.67Å; Y418-L420 HydrophobicContact CD1-CD1 3.98Å; Y418-L420 HydrophobicContact CE1-CD1 3.8Å
421R92Very high92.4Very high123 Ų12347.3 Ų47.346%0.46424%0.236SC..  trans-76.4137.4174.2-65.9176.6-179.8177.70.4109.2L181 V182 S184 P375L181-R421 HydrophobicContact CD1-CG 4.5Å; V182-R421 WeakPolarHBondContact O-CB 3.34Å; V182-R421 PolarHBondContact O-N 2.69Å; S184-R421 WeakPolarHBondContact CA-O 3.43Å; P375-R421 HydrophobicContact CB-CG 3.96Å
422T81Confident92Very high25 Ų2547.2 Ų47.215%0.15324%0.239CC..  trans-99.1158.8174.555.80000110S184 A280 I376S184-T422 VanDerWaalsContact CB-O 3.31Å; S184-T422 WeakPolarHBondContact CB-O 3.48Å; A280-T422 HydrophobicContact CB-CG2 3.86Å; I376-T422 HydrophobicContact CD1-CG2 3.43Å; I376-T422 VanDerWaalsContact CD1-CG2 3.43Å; I376-T422 HydrophobicContact CG1-CG2 3.88Å
423L68.1Low91.6Very high152 Ų15250.1 Ų50.180%0.79625%0.254SS*.  trans-68.40174.4-78.8166.2000113S184 R373S184-L423 WeakPolarHBondContact O-CG 3.13Å; R373-L423 PolarHBondContact NH1-O 3.18Å; R373-L423 PolarHBondContact NH1-OXT 3.06Å

Retrieved 423 of 423 residues in 449.3 ms (Link to these results)

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